Program PWSCF v.5.1.1 starts on 20Oct2015 at 13:32:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./Ca3SiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 20 5 2192 1352 201 Max 29 21 6 2203 1377 218 Sum 1357 979 283 105309 65541 10079 bravais-lattice index = 14 lattice parameter (alat) = 8.4622 a.u. unit-cell volume = 1375.8257 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.462193 celldm(2)= 1.000000 celldm(3)= 2.621706 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 2.621706 ) 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 0.381431 ) PseudoPot. # 1 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0036364 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0036364 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0036364 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0036364 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0036364 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0036364 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0036364 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0036364 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0036364 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0036364 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0036364 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0036364 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0036364 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0036364 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0036364 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0036364 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0036364 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0036364 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0036364 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0036364 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0036364 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0036364 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0036364 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0036364 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0036364 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0036364 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0036364 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0036364 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0036364 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0036364 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0036364 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0036364 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0036364 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0036364 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0036364 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0036364 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0036364 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036364 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036364 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0036364 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0036364 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0036364 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0036364 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0036364 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0036364 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0036364 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0036364 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0036364 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0036364 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0036364 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036364 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0036364 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0036364 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0036364 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0036364 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0036364 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0036364 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0036364 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0036364 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0036364 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036364 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036364 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0036364 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0036364 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0036364 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0036364 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0036364 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0036364 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0036364 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0036364 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0036364 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0036364 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0036364 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0036364 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0036364 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0036364 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0036364 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0036364 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0036364 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0036364 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0036364 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0036364 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0036364 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0036364 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0036364 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0036364 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0036364 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0036364 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0036364 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0036364 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0036364 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0036364 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0036364 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0036364 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0036364 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0036364 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0036364 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0036364 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0036364 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0036364 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0036364 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0036364 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0036364 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0036364 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0036364 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0036364 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0036364 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0036364 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 117) = ( 0.0000000 0.0000000 0.0136225), wk = 0.0036364 k( 118) = ( 0.0000000 0.0000000 0.0272451), wk = 0.0036364 k( 119) = ( 0.0000000 0.0000000 0.0408676), wk = 0.0036364 k( 120) = ( 0.0000000 0.0000000 0.0544901), wk = 0.0036364 k( 121) = ( 0.0000000 0.0000000 0.0681127), wk = 0.0036364 k( 122) = ( 0.0000000 0.0000000 0.0817352), wk = 0.0036364 k( 123) = ( 0.0000000 0.0000000 0.0953578), wk = 0.0036364 k( 124) = ( 0.0000000 0.0000000 0.1089803), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.1226028), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.1362254), wk = 0.0036364 k( 127) = ( 0.0000000 0.0000000 0.1498479), wk = 0.0036364 k( 128) = ( 0.0000000 0.0000000 0.1634704), wk = 0.0036364 k( 129) = ( 0.0000000 0.0000000 0.1770930), wk = 0.0036364 k( 130) = ( 0.0000000 0.0000000 0.1907155), wk = 0.0036364 k( 131) = ( 0.0000000 0.0000000 0.1907155), wk = 0.0036364 k( 132) = ( 0.0121951 0.0070409 0.1907155), wk = 0.0036364 k( 133) = ( 0.0243902 0.0140817 0.1907155), wk = 0.0036364 k( 134) = ( 0.0365854 0.0211226 0.1907155), wk = 0.0036364 k( 135) = ( 0.0487805 0.0281634 0.1907155), wk = 0.0036364 k( 136) = ( 0.0609756 0.0352043 0.1907155), wk = 0.0036364 k( 137) = ( 0.0731707 0.0422451 0.1907155), wk = 0.0036364 k( 138) = ( 0.0853658 0.0492860 0.1907155), wk = 0.0036364 k( 139) = ( 0.0975610 0.0563269 0.1907155), wk = 0.0036364 k( 140) = ( 0.1097561 0.0633677 0.1907155), wk = 0.0036364 k( 141) = ( 0.1219512 0.0704086 0.1907155), wk = 0.0036364 k( 142) = ( 0.1341463 0.0774494 0.1907155), wk = 0.0036364 k( 143) = ( 0.1463415 0.0844903 0.1907155), wk = 0.0036364 k( 144) = ( 0.1585366 0.0915311 0.1907155), wk = 0.0036364 k( 145) = ( 0.1707317 0.0985720 0.1907155), wk = 0.0036364 k( 146) = ( 0.1829268 0.1056129 0.1907155), wk = 0.0036364 k( 147) = ( 0.1951219 0.1126537 0.1907155), wk = 0.0036364 k( 148) = ( 0.2073171 0.1196946 0.1907155), wk = 0.0036364 k( 149) = ( 0.2195122 0.1267354 0.1907155), wk = 0.0036364 k( 150) = ( 0.2317073 0.1337763 0.1907155), wk = 0.0036364 k( 151) = ( 0.2439024 0.1408171 0.1907155), wk = 0.0036364 k( 152) = ( 0.2560976 0.1478580 0.1907155), wk = 0.0036364 k( 153) = ( 0.2682927 0.1548989 0.1907155), wk = 0.0036364 k( 154) = ( 0.2804878 0.1619397 0.1907155), wk = 0.0036364 k( 155) = ( 0.2926829 0.1689806 0.1907155), wk = 0.0036364 k( 156) = ( 0.3048781 0.1760214 0.1907155), wk = 0.0036364 k( 157) = ( 0.3170732 0.1830623 0.1907155), wk = 0.0036364 k( 158) = ( 0.3292683 0.1901031 0.1907155), wk = 0.0036364 k( 159) = ( 0.3414634 0.1971440 0.1907155), wk = 0.0036364 k( 160) = ( 0.3536585 0.2041849 0.1907155), wk = 0.0036364 k( 161) = ( 0.3658537 0.2112257 0.1907155), wk = 0.0036364 k( 162) = ( 0.3780488 0.2182666 0.1907155), wk = 0.0036364 k( 163) = ( 0.3902439 0.2253074 0.1907155), wk = 0.0036364 k( 164) = ( 0.4024390 0.2323483 0.1907155), wk = 0.0036364 k( 165) = ( 0.4146341 0.2393891 0.1907155), wk = 0.0036364 k( 166) = ( 0.4268293 0.2464300 0.1907155), wk = 0.0036364 k( 167) = ( 0.4390244 0.2534708 0.1907155), wk = 0.0036364 k( 168) = ( 0.4512195 0.2605117 0.1907155), wk = 0.0036364 k( 169) = ( 0.4634146 0.2675526 0.1907155), wk = 0.0036364 k( 170) = ( 0.4756098 0.2745934 0.1907155), wk = 0.0036364 k( 171) = ( 0.4878049 0.2816343 0.1907155), wk = 0.0036364 k( 172) = ( 0.5000000 0.2886751 0.1907155), wk = 0.0036364 k( 173) = ( 0.5000000 0.2886751 0.1907155), wk = 0.0036364 k( 174) = ( 0.4930556 0.3007033 0.1907155), wk = 0.0036364 k( 175) = ( 0.4861111 0.3127314 0.1907155), wk = 0.0036364 k( 176) = ( 0.4791667 0.3247595 0.1907155), wk = 0.0036364 k( 177) = ( 0.4722222 0.3367877 0.1907155), wk = 0.0036364 k( 178) = ( 0.4652778 0.3488158 0.1907155), wk = 0.0036364 k( 179) = ( 0.4583333 0.3608439 0.1907155), wk = 0.0036364 k( 180) = ( 0.4513889 0.3728720 0.1907155), wk = 0.0036364 k( 181) = ( 0.4444444 0.3849002 0.1907155), wk = 0.0036364 k( 182) = ( 0.4375000 0.3969283 0.1907155), wk = 0.0036364 k( 183) = ( 0.4305556 0.4089564 0.1907155), wk = 0.0036364 k( 184) = ( 0.4236111 0.4209846 0.1907155), wk = 0.0036364 k( 185) = ( 0.4166667 0.4330127 0.1907155), wk = 0.0036364 k( 186) = ( 0.4097222 0.4450408 0.1907155), wk = 0.0036364 k( 187) = ( 0.4027778 0.4570690 0.1907155), wk = 0.0036364 k( 188) = ( 0.3958333 0.4690971 0.1907155), wk = 0.0036364 k( 189) = ( 0.3888889 0.4811252 0.1907155), wk = 0.0036364 k( 190) = ( 0.3819444 0.4931534 0.1907155), wk = 0.0036364 k( 191) = ( 0.3750000 0.5051815 0.1907155), wk = 0.0036364 k( 192) = ( 0.3680556 0.5172096 0.1907155), wk = 0.0036364 k( 193) = ( 0.3611111 0.5292377 0.1907155), wk = 0.0036364 k( 194) = ( 0.3541667 0.5412659 0.1907155), wk = 0.0036364 k( 195) = ( 0.3472222 0.5532940 0.1907155), wk = 0.0036364 k( 196) = ( 0.3402778 0.5653221 0.1907155), wk = 0.0036364 k( 197) = ( 0.3333333 0.5773503 0.1907155), wk = 0.0036364 k( 198) = ( 0.3333333 0.5773503 0.1907155), wk = 0.0036364 k( 199) = ( 0.3262411 0.5650662 0.1907155), wk = 0.0036364 k( 200) = ( 0.3191489 0.5527822 0.1907155), wk = 0.0036364 k( 201) = ( 0.3120567 0.5404981 0.1907155), wk = 0.0036364 k( 202) = ( 0.3049645 0.5282141 0.1907155), wk = 0.0036364 k( 203) = ( 0.2978723 0.5159300 0.1907155), wk = 0.0036364 k( 204) = ( 0.2907801 0.5036460 0.1907155), wk = 0.0036364 k( 205) = ( 0.2836879 0.4913619 0.1907155), wk = 0.0036364 k( 206) = ( 0.2765957 0.4790779 0.1907155), wk = 0.0036364 k( 207) = ( 0.2695035 0.4667938 0.1907155), wk = 0.0036364 k( 208) = ( 0.2624113 0.4545098 0.1907155), wk = 0.0036364 k( 209) = ( 0.2553191 0.4422257 0.1907155), wk = 0.0036364 k( 210) = ( 0.2482270 0.4299417 0.1907155), wk = 0.0036364 k( 211) = ( 0.2411348 0.4176576 0.1907155), wk = 0.0036364 k( 212) = ( 0.2340425 0.4053736 0.1907155), wk = 0.0036364 k( 213) = ( 0.2269503 0.3930895 0.1907155), wk = 0.0036364 k( 214) = ( 0.2198582 0.3808055 0.1907155), wk = 0.0036364 k( 215) = ( 0.2127660 0.3685215 0.1907155), wk = 0.0036364 k( 216) = ( 0.2056738 0.3562374 0.1907155), wk = 0.0036364 k( 217) = ( 0.1985816 0.3439534 0.1907155), wk = 0.0036364 k( 218) = ( 0.1914894 0.3316693 0.1907155), wk = 0.0036364 k( 219) = ( 0.1843972 0.3193852 0.1907155), wk = 0.0036364 k( 220) = ( 0.1773050 0.3071012 0.1907155), wk = 0.0036364 k( 221) = ( 0.1702128 0.2948172 0.1907155), wk = 0.0036364 k( 222) = ( 0.1631206 0.2825331 0.1907155), wk = 0.0036364 k( 223) = ( 0.1560284 0.2702491 0.1907155), wk = 0.0036364 k( 224) = ( 0.1489362 0.2579650 0.1907155), wk = 0.0036364 k( 225) = ( 0.1418440 0.2456810 0.1907155), wk = 0.0036364 k( 226) = ( 0.1347518 0.2333969 0.1907155), wk = 0.0036364 k( 227) = ( 0.1276596 0.2211129 0.1907155), wk = 0.0036364 k( 228) = ( 0.1205674 0.2088288 0.1907155), wk = 0.0036364 k( 229) = ( 0.1134752 0.1965448 0.1907155), wk = 0.0036364 k( 230) = ( 0.1063830 0.1842607 0.1907155), wk = 0.0036364 k( 231) = ( 0.0992908 0.1719767 0.1907155), wk = 0.0036364 k( 232) = ( 0.0921986 0.1596926 0.1907155), wk = 0.0036364 k( 233) = ( 0.0851064 0.1474086 0.1907155), wk = 0.0036364 k( 234) = ( 0.0780142 0.1351245 0.1907155), wk = 0.0036364 k( 235) = ( 0.0709220 0.1228405 0.1907155), wk = 0.0036364 k( 236) = ( 0.0638298 0.1105564 0.1907155), wk = 0.0036364 k( 237) = ( 0.0567376 0.0982724 0.1907155), wk = 0.0036364 k( 238) = ( 0.0496454 0.0859883 0.1907155), wk = 0.0036364 k( 239) = ( 0.0425532 0.0737043 0.1907155), wk = 0.0036364 k( 240) = ( 0.0354610 0.0614202 0.1907155), wk = 0.0036364 k( 241) = ( 0.0283688 0.0491362 0.1907155), wk = 0.0036364 k( 242) = ( 0.0212766 0.0368522 0.1907155), wk = 0.0036364 k( 243) = ( 0.0141844 0.0245681 0.1907155), wk = 0.0036364 k( 244) = ( 0.0070922 0.0122841 0.1907155), wk = 0.0036364 k( 245) = ( 0.0000000 0.0000000 0.1907155), wk = 0.0036364 k( 246) = ( 0.5000000 0.2886751 0.1907155), wk = 0.0036364 k( 247) = ( 0.5000000 0.2886751 0.1770930), wk = 0.0036364 k( 248) = ( 0.5000000 0.2886751 0.1634704), wk = 0.0036364 k( 249) = ( 0.5000000 0.2886751 0.1498479), wk = 0.0036364 k( 250) = ( 0.5000000 0.2886751 0.1362254), wk = 0.0036364 k( 251) = ( 0.5000000 0.2886751 0.1226028), wk = 0.0036364 k( 252) = ( 0.5000000 0.2886751 0.1089803), wk = 0.0036364 k( 253) = ( 0.5000000 0.2886751 0.0953578), wk = 0.0036364 k( 254) = ( 0.5000000 0.2886751 0.0817352), wk = 0.0036364 k( 255) = ( 0.5000000 0.2886751 0.0681127), wk = 0.0036364 k( 256) = ( 0.5000000 0.2886751 0.0544901), wk = 0.0036364 k( 257) = ( 0.5000000 0.2886751 0.0408676), wk = 0.0036364 k( 258) = ( 0.5000000 0.2886751 0.0272451), wk = 0.0036364 k( 259) = ( 0.5000000 0.2886751 0.0136225), wk = 0.0036364 k( 260) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036364 k( 261) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036364 k( 262) = ( 0.3333333 0.5773503 0.0136225), wk = 0.0036364 k( 263) = ( 0.3333333 0.5773503 0.0272451), wk = 0.0036364 k( 264) = ( 0.3333333 0.5773503 0.0408676), wk = 0.0036364 k( 265) = ( 0.3333333 0.5773503 0.0544901), wk = 0.0036364 k( 266) = ( 0.3333333 0.5773503 0.0681127), wk = 0.0036364 k( 267) = ( 0.3333333 0.5773503 0.0817352), wk = 0.0036364 k( 268) = ( 0.3333333 0.5773503 0.0953578), wk = 0.0036364 k( 269) = ( 0.3333333 0.5773503 0.1089803), wk = 0.0036364 k( 270) = ( 0.3333333 0.5773503 0.1226028), wk = 0.0036364 k( 271) = ( 0.3333333 0.5773503 0.1362254), wk = 0.0036364 k( 272) = ( 0.3333333 0.5773503 0.1498479), wk = 0.0036364 k( 273) = ( 0.3333333 0.5773503 0.1634704), wk = 0.0036364 k( 274) = ( 0.3333333 0.5773503 0.1770930), wk = 0.0036364 k( 275) = ( 0.3333333 0.5773503 0.1907155), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0036364 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0036364 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0036364 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0036364 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0036364 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0036364 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0036364 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0036364 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0036364 k( 14) = ( 0.1585366 0.0000000 -0.0000000), wk = 0.0036364 k( 15) = ( 0.1707317 0.0000000 -0.0000000), wk = 0.0036364 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0036364 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0036364 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0036364 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0036364 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0036364 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0036364 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0036364 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0036364 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0036364 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0036364 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0036364 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0036364 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0036364 k( 29) = ( 0.3414634 0.0000000 -0.0000000), wk = 0.0036364 k( 30) = ( 0.3536585 0.0000000 -0.0000000), wk = 0.0036364 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0036364 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0036364 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0036364 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0036364 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0036364 k( 36) = ( 0.4268293 -0.0000000 0.0000000), wk = 0.0036364 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0036364 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0036364 k( 40) = ( 0.4756098 0.0000000 -0.0000000), wk = 0.0036364 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0036364 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036364 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036364 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0036364 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0036364 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0036364 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0036364 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0036364 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0036364 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0036364 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0036364 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0036364 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0036364 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0036364 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0036364 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0036364 k( 57) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0036364 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0036364 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0036364 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0036364 k( 61) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0036364 k( 62) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0036364 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0036364 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0036364 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036364 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036364 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0036364 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0036364 k( 71) = ( 0.3120567 0.3120567 0.0000000), wk = 0.0036364 k( 72) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0036364 k( 73) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0036364 k( 74) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0036364 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0036364 k( 76) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0036364 k( 77) = ( 0.2695035 0.2695036 0.0000000), wk = 0.0036364 k( 78) = ( 0.2624113 0.2624114 0.0000000), wk = 0.0036364 k( 79) = ( 0.2553191 0.2553192 0.0000000), wk = 0.0036364 k( 80) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0036364 k( 81) = ( 0.2411348 0.2411348 0.0000000), wk = 0.0036364 k( 82) = ( 0.2340425 0.2340426 0.0000000), wk = 0.0036364 k( 83) = ( 0.2269503 0.2269504 0.0000000), wk = 0.0036364 k( 84) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0036364 k( 85) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0036364 k( 86) = ( 0.2056738 0.2056738 -0.0000000), wk = 0.0036364 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0036364 k( 88) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0036364 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0036364 k( 90) = ( 0.1773050 0.1773050 0.0000000), wk = 0.0036364 k( 91) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0036364 k( 92) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0036364 k( 93) = ( 0.1560284 0.1560284 0.0000000), wk = 0.0036364 k( 94) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0036364 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0036364 k( 96) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0036364 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0036364 k( 98) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0036364 k( 99) = ( 0.1134752 0.1134752 0.0000000), wk = 0.0036364 k( 100) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0036364 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0036364 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0036364 k( 103) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0036364 k( 104) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0036364 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0036364 k( 106) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0036364 k( 107) = ( 0.0567376 0.0567376 0.0000000), wk = 0.0036364 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0036364 k( 109) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0036364 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0036364 k( 111) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0036364 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0036364 k( 113) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0036364 k( 114) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0036364 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 117) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0036364 k( 118) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0036364 k( 119) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0036364 k( 120) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0036364 k( 121) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0036364 k( 122) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0036364 k( 123) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036364 k( 124) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0036364 k( 127) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0036364 k( 128) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0036364 k( 129) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0036364 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 132) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0036364 k( 133) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0036364 k( 134) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0036364 k( 135) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0036364 k( 136) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0036364 k( 137) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0036364 k( 138) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0036364 k( 139) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0036364 k( 140) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0036364 k( 141) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0036364 k( 142) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0036364 k( 143) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0036364 k( 144) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0036364 k( 145) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0036364 k( 146) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0036364 k( 147) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0036364 k( 148) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0036364 k( 149) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0036364 k( 150) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0036364 k( 151) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0036364 k( 152) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0036364 k( 153) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0036364 k( 154) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0036364 k( 155) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0036364 k( 156) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0036364 k( 157) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0036364 k( 158) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0036364 k( 159) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0036364 k( 160) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0036364 k( 161) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0036364 k( 162) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0036364 k( 163) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0036364 k( 164) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0036364 k( 165) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0036364 k( 166) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0036364 k( 167) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0036364 k( 168) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0036364 k( 169) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0036364 k( 170) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0036364 k( 171) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0036364 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036364 k( 173) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036364 k( 174) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0036364 k( 175) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0036364 k( 176) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0036364 k( 177) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0036364 k( 178) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0036364 k( 179) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0036364 k( 180) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0036364 k( 181) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0036364 k( 182) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0036364 k( 183) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0036364 k( 184) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0036364 k( 185) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036364 k( 186) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0036364 k( 187) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0036364 k( 188) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0036364 k( 189) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0036364 k( 190) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0036364 k( 191) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0036364 k( 192) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0036364 k( 193) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0036364 k( 194) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0036364 k( 195) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0036364 k( 196) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0036364 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036364 k( 198) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036364 k( 199) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0036364 k( 200) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0036364 k( 201) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0036364 k( 202) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0036364 k( 203) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0036364 k( 204) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0036364 k( 205) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0036364 k( 206) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0036364 k( 207) = ( 0.2695035 0.2695036 0.5000000), wk = 0.0036364 k( 208) = ( 0.2624113 0.2624114 0.5000000), wk = 0.0036364 k( 209) = ( 0.2553191 0.2553192 0.5000000), wk = 0.0036364 k( 210) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0036364 k( 211) = ( 0.2411348 0.2411348 0.5000000), wk = 0.0036364 k( 212) = ( 0.2340425 0.2340426 0.5000000), wk = 0.0036364 k( 213) = ( 0.2269503 0.2269504 0.5000000), wk = 0.0036364 k( 214) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0036364 k( 215) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0036364 k( 216) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0036364 k( 217) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0036364 k( 218) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0036364 k( 219) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0036364 k( 220) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0036364 k( 221) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0036364 k( 222) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0036364 k( 223) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0036364 k( 224) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0036364 k( 225) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0036364 k( 226) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0036364 k( 227) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0036364 k( 228) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0036364 k( 229) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0036364 k( 230) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0036364 k( 231) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0036364 k( 232) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0036364 k( 233) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0036364 k( 234) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0036364 k( 235) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0036364 k( 236) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0036364 k( 237) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0036364 k( 238) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0036364 k( 239) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0036364 k( 240) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0036364 k( 241) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0036364 k( 242) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0036364 k( 243) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0036364 k( 244) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0036364 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 246) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036364 k( 247) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0036364 k( 248) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0036364 k( 249) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0036364 k( 250) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0036364 k( 251) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0036364 k( 252) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0036364 k( 253) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036364 k( 254) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0036364 k( 255) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0036364 k( 256) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0036364 k( 257) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0036364 k( 258) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0036364 k( 259) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0036364 k( 260) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036364 k( 261) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036364 k( 262) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0036364 k( 263) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0036364 k( 264) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0036364 k( 265) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0036364 k( 266) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0036364 k( 267) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0036364 k( 268) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0036364 k( 269) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0036364 k( 270) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0036364 k( 271) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0036364 k( 272) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0036364 k( 273) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0036364 k( 274) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0036364 k( 275) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036364 Dense grid: 105309 G-vectors FFT dimensions: ( 45, 45, 120) Smooth grid: 65541 G-vectors FFT dimensions: ( 40, 40, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 352, 58) NL pseudopotentials 0.44 Mb ( 176, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2194) G-vector shells 0.01 Mb ( 1048) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 352, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SiBr2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.7 secs Computing kpt #: 2 total cpu time spent up to now is 58.1 secs Computing kpt #: 3 total cpu time spent up to now is 65.5 secs Computing kpt #: 4 total cpu time spent up to now is 72.6 secs Computing kpt #: 5 total cpu time spent up to now is 79.8 secs Computing kpt #: 6 total cpu time spent up to now is 87.1 secs Computing kpt #: 7 total cpu time spent up to now is 112.8 secs Computing kpt #: 8 total cpu time spent up to now is 134.5 secs Computing kpt #: 9 total cpu time spent up to now is 141.0 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.7 secs Computing kpt #: 11 total cpu time spent up to now is 156.6 secs Computing kpt #: 12 total cpu time spent up to now is 164.1 secs Computing kpt #: 13 total cpu time spent up to now is 172.2 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.6 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.7 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 200.8 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.1 secs Computing kpt #: 19 total cpu time spent up to now is 219.0 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.2 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.0 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.2 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.5 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.3 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.7 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.1 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.5 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.8 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.0 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.3 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.5 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.3 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.6 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.0 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.7 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.0 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.3 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.7 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.1 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 385.5 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.1 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.9 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.4 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.8 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.2 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.7 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.3 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.8 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.5 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 464.1 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 471.8 secs Computing kpt #: 53 total cpu time spent up to now is 478.3 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.8 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.2 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.6 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 509.1 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 516.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.4 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 532.1 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.8 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 547.7 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 555.5 secs Computing kpt #: 64 total cpu time spent up to now is 562.4 secs Computing kpt #: 65 total cpu time spent up to now is 569.0 secs Computing kpt #: 66 total cpu time spent up to now is 577.4 secs Computing kpt #: 67 total cpu time spent up to now is 583.6 secs Computing kpt #: 68 total cpu time spent up to now is 589.9 secs Computing kpt #: 69 total cpu time spent up to now is 595.8 secs Computing kpt #: 70 total cpu time spent up to now is 602.4 secs Computing kpt #: 71 total cpu time spent up to now is 609.3 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 616.9 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.1 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.3 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.0 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.9 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 657.7 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 665.5 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 673.4 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.0 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 688.8 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.3 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 704.1 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 711.6 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.2 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 726.7 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 734.2 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 741.6 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 749.2 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 756.6 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 764.1 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 771.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 778.9 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 786.3 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 801.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 809.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 816.4 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 823.8 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 831.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 838.6 secs Computing kpt #: 102 total cpu time spent up to now is 845.5 secs Computing kpt #: 103 total cpu time spent up to now is 852.9 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 860.5 secs Computing kpt #: 105 total cpu time spent up to now is 867.6 secs Computing kpt #: 106 total cpu time spent up to now is 874.7 secs Computing kpt #: 107 total cpu time spent up to now is 883.7 secs Computing kpt #: 108 total cpu time spent up to now is 890.7 secs Computing kpt #: 109 total cpu time spent up to now is 897.4 secs Computing kpt #: 110 total cpu time spent up to now is 904.5 secs Computing kpt #: 111 total cpu time spent up to now is 911.6 secs Computing kpt #: 112 total cpu time spent up to now is 918.5 secs Computing kpt #: 113 total cpu time spent up to now is 926.6 secs Computing kpt #: 114 total cpu time spent up to now is 934.3 secs Computing kpt #: 115 total cpu time spent up to now is 941.9 secs Computing kpt #: 116 total cpu time spent up to now is 951.6 secs Computing kpt #: 117 total cpu time spent up to now is 960.0 secs Computing kpt #: 118 total cpu time spent up to now is 967.5 secs Computing kpt #: 119 total cpu time spent up to now is 975.2 secs Computing kpt #: 120 total cpu time spent up to now is 982.4 secs Computing kpt #: 121 total cpu time spent up to now is 989.7 secs Computing kpt #: 122 total cpu time spent up to now is 997.1 secs Computing kpt #: 123 total cpu time spent up to now is 1004.1 secs Computing kpt #: 124 total cpu time spent up to now is 1011.3 secs Computing kpt #: 125 total cpu time spent up to now is 1018.4 secs Computing kpt #: 126 total cpu time spent up to now is 1025.5 secs Computing kpt #: 127 total cpu time spent up to now is 1032.6 secs Computing kpt #: 128 total cpu time spent up to now is 1039.7 secs Computing kpt #: 129 total cpu time spent up to now is 1046.7 secs Computing kpt #: 130 total cpu time spent up to now is 1053.9 secs Computing kpt #: 131 total cpu time spent up to now is 1060.9 secs Computing kpt #: 132 total cpu time spent up to now is 1067.4 secs Computing kpt #: 133 total cpu time spent up to now is 1074.6 secs Computing kpt #: 134 total cpu time spent up to now is 1081.8 secs Computing kpt #: 135 total cpu time spent up to now is 1089.0 secs Computing kpt #: 136 total cpu time spent up to now is 1096.1 secs Computing kpt #: 137 total cpu time spent up to now is 1103.6 secs Computing kpt #: 138 total cpu time spent up to now is 1111.0 secs Computing kpt #: 139 total cpu time spent up to now is 1118.5 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1126.2 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1133.8 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1141.4 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1149.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1156.7 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1164.3 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1171.9 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1179.3 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1186.8 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1194.2 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.7 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1209.1 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1216.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1224.1 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1233.8 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1241.1 secs Computing kpt #: 156 total cpu time spent up to now is 1247.9 secs Computing kpt #: 157 total cpu time spent up to now is 1254.0 secs Computing kpt #: 158 total cpu time spent up to now is 1261.1 secs Computing kpt #: 159 total cpu time spent up to now is 1269.0 secs Computing kpt #: 160 total cpu time spent up to now is 1274.8 secs Computing kpt #: 161 total cpu time spent up to now is 1280.5 secs Computing kpt #: 162 total cpu time spent up to now is 1286.2 secs Computing kpt #: 163 total cpu time spent up to now is 1293.7 secs Computing kpt #: 164 total cpu time spent up to now is 1299.5 secs Computing kpt #: 165 total cpu time spent up to now is 1305.2 secs Computing kpt #: 166 total cpu time spent up to now is 1310.8 secs Computing kpt #: 167 total cpu time spent up to now is 1316.4 secs Computing kpt #: 168 total cpu time spent up to now is 1322.5 secs Computing kpt #: 169 total cpu time spent up to now is 1328.3 secs Computing kpt #: 170 total cpu time spent up to now is 1334.4 secs Computing kpt #: 171 total cpu time spent up to now is 1340.2 secs Computing kpt #: 172 total cpu time spent up to now is 1346.2 secs Computing kpt #: 173 total cpu time spent up to now is 1352.3 secs Computing kpt #: 174 total cpu time spent up to now is 1359.4 secs Computing kpt #: 175 total cpu time spent up to now is 1365.8 secs Computing kpt #: 176 total cpu time spent up to now is 1372.1 secs Computing kpt #: 177 total cpu time spent up to now is 1378.5 secs Computing kpt #: 178 total cpu time spent up to now is 1385.2 secs Computing kpt #: 179 total cpu time spent up to now is 1391.7 secs Computing kpt #: 180 total cpu time spent up to now is 1398.8 secs Computing kpt #: 181 total cpu time spent up to now is 1405.1 secs Computing kpt #: 182 total cpu time spent up to now is 1411.6 secs Computing kpt #: 183 total cpu time spent up to now is 1418.0 secs Computing kpt #: 184 total cpu time spent up to now is 1424.1 secs Computing kpt #: 185 total cpu time spent up to now is 1430.2 secs Computing kpt #: 186 total cpu time spent up to now is 1435.9 secs Computing kpt #: 187 total cpu time spent up to now is 1441.6 secs Computing kpt #: 188 total cpu time spent up to now is 1449.5 secs Computing kpt #: 189 total cpu time spent up to now is 1455.2 secs Computing kpt #: 190 total cpu time spent up to now is 1461.0 secs Computing kpt #: 191 total cpu time spent up to now is 1466.8 secs Computing kpt #: 192 total cpu time spent up to now is 1472.5 secs Computing kpt #: 193 total cpu time spent up to now is 1478.7 secs Computing kpt #: 194 total cpu time spent up to now is 1484.9 secs Computing kpt #: 195 total cpu time spent up to now is 1491.3 secs Computing kpt #: 196 total cpu time spent up to now is 1497.0 secs Computing kpt #: 197 total cpu time spent up to now is 1502.6 secs Computing kpt #: 198 total cpu time spent up to now is 1509.7 secs Computing kpt #: 199 total cpu time spent up to now is 1516.3 secs Computing kpt #: 200 total cpu time spent up to now is 1522.5 secs Computing kpt #: 201 total cpu time spent up to now is 1529.4 secs Computing kpt #: 202 total cpu time spent up to now is 1535.0 secs Computing kpt #: 203 total cpu time spent up to now is 1540.5 secs Computing kpt #: 204 total cpu time spent up to now is 1546.3 secs Computing kpt #: 205 total cpu time spent up to now is 1552.1 secs Computing kpt #: 206 total cpu time spent up to now is 1557.8 secs Computing kpt #: 207 total cpu time spent up to now is 1563.7 secs Computing kpt #: 208 total cpu time spent up to now is 1568.9 secs Computing kpt #: 209 total cpu time spent up to now is 1574.4 secs Computing kpt #: 210 total cpu time spent up to now is 1580.0 secs Computing kpt #: 211 total cpu time spent up to now is 1585.9 secs Computing kpt #: 212 total cpu time spent up to now is 1591.6 secs Computing kpt #: 213 total cpu time spent up to now is 1597.4 secs Computing kpt #: 214 total cpu time spent up to now is 1603.5 secs Computing kpt #: 215 total cpu time spent up to now is 1609.7 secs Computing kpt #: 216 total cpu time spent up to now is 1616.7 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1624.0 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1631.4 secs Computing kpt #: 219 total cpu time spent up to now is 1637.9 secs Computing kpt #: 220 total cpu time spent up to now is 1645.1 secs Computing kpt #: 221 total cpu time spent up to now is 1652.4 secs Computing kpt #: 222 total cpu time spent up to now is 1659.7 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1667.4 secs Computing kpt #: 224 total cpu time spent up to now is 1674.6 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1682.3 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1690.5 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1700.2 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1708.1 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1715.8 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1723.7 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1733.5 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1741.5 secs Computing kpt #: 233 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1749.8 secs Computing kpt #: 234 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1757.9 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1765.7 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1773.9 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1781.9 secs Computing kpt #: 238 total cpu time spent up to now is 1789.5 secs Computing kpt #: 239 total cpu time spent up to now is 1797.7 secs Computing kpt #: 240 total cpu time spent up to now is 1805.2 secs Computing kpt #: 241 total cpu time spent up to now is 1812.5 secs Computing kpt #: 242 total cpu time spent up to now is 1819.8 secs Computing kpt #: 243 total cpu time spent up to now is 1827.7 secs Computing kpt #: 244 total cpu time spent up to now is 1836.5 secs Computing kpt #: 245 total cpu time spent up to now is 1843.4 secs Computing kpt #: 246 total cpu time spent up to now is 1849.5 secs Computing kpt #: 247 total cpu time spent up to now is 1856.0 secs Computing kpt #: 248 total cpu time spent up to now is 1862.3 secs Computing kpt #: 249 total cpu time spent up to now is 1868.8 secs Computing kpt #: 250 total cpu time spent up to now is 1875.2 secs Computing kpt #: 251 total cpu time spent up to now is 1881.5 secs Computing kpt #: 252 total cpu time spent up to now is 1888.6 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1896.1 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1903.8 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1911.5 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1919.0 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1926.5 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1933.9 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1941.6 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1948.9 secs Computing kpt #: 261 total cpu time spent up to now is 1954.8 secs Computing kpt #: 262 total cpu time spent up to now is 1960.7 secs Computing kpt #: 263 total cpu time spent up to now is 1966.9 secs Computing kpt #: 264 total cpu time spent up to now is 1972.6 secs Computing kpt #: 265 total cpu time spent up to now is 1978.9 secs Computing kpt #: 266 total cpu time spent up to now is 1985.0 secs Computing kpt #: 267 total cpu time spent up to now is 1991.3 secs Computing kpt #: 268 total cpu time spent up to now is 1997.5 secs Computing kpt #: 269 total cpu time spent up to now is 2003.5 secs Computing kpt #: 270 total cpu time spent up to now is 2011.1 secs Computing kpt #: 271 total cpu time spent up to now is 2016.8 secs Computing kpt #: 272 total cpu time spent up to now is 2022.8 secs Computing kpt #: 273 total cpu time spent up to now is 2028.9 secs Computing kpt #: 274 total cpu time spent up to now is 2034.6 secs Computing kpt #: 275 total cpu time spent up to now is 2040.4 secs ethr = 2.08E-11, avg # of iterations =103.5 total cpu time spent up to now is 2040.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8329 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8981 -16.8981 -16.8802 -16.8802 -11.3849 -11.3849 -11.2976 -11.2976 -1.2892 -1.2892 -0.2433 -0.2433 0.3508 0.3508 0.7819 0.7819 0.8000 0.8000 0.9747 0.9747 1.0740 1.0740 4.1962 4.1962 4.7447 4.7447 5.8969 5.8969 5.9127 5.9127 6.0351 6.0351 6.6038 6.6038 6.9514 6.9514 6.9574 6.9574 k = 0.0122 0.0070-0.0000 ( 8295 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8981 -16.8981 -16.8802 -16.8802 -11.3847 -11.3847 -11.2975 -11.2975 -1.2883 -1.2883 -0.2431 -0.2431 0.3506 0.3506 0.7808 0.7808 0.7993 0.7993 0.9734 0.9734 1.0727 1.0727 4.1973 4.1973 4.7471 4.7471 5.8951 5.8951 5.9111 5.9111 6.0354 6.0354 6.6055 6.6055 6.9504 6.9504 6.9569 6.9569 k = 0.0244 0.0141-0.0000 ( 8291 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8982 -16.8982 -16.8802 -16.8802 -11.3843 -11.3843 -11.2972 -11.2972 -1.2855 -1.2855 -0.2426 -0.2426 0.3500 0.3500 0.7772 0.7772 0.7971 0.7971 0.9694 0.9694 1.0690 1.0690 4.2005 4.2005 4.7544 4.7544 5.8885 5.8885 5.9072 5.9072 6.0362 6.0362 6.6104 6.6104 6.9450 6.9450 6.9574 6.9574 k = 0.0366 0.0211-0.0000 ( 8279 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0770 -19.0770 -18.7142 -18.7142 -18.6706 -18.6706 -17.3401 -17.3401 -17.2803 -17.2803 -16.9813 -16.9813 -16.9038 -16.9038 -16.8983 -16.8983 -16.8803 -16.8803 -11.3835 -11.3835 -11.2967 -11.2967 -1.2809 -1.2809 -0.2418 -0.2418 0.3489 0.3489 0.7714 0.7714 0.7934 0.7934 0.9631 0.9631 1.0630 1.0630 4.2059 4.2059 4.7662 4.7662 5.8757 5.8757 5.9028 5.9028 6.0375 6.0375 6.6184 6.6184 6.9352 6.9352 6.9598 6.9598 k = 0.0488 0.0282-0.0000 ( 8279 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0770 -19.0770 -18.7143 -18.7143 -18.6707 -18.6707 -17.3401 -17.3401 -17.2804 -17.2804 -16.9813 -16.9813 -16.9039 -16.9039 -16.8985 -16.8985 -16.8805 -16.8805 -11.3824 -11.3824 -11.2961 -11.2961 -1.2745 -1.2745 -0.2406 -0.2406 0.3473 0.3473 0.7632 0.7632 0.7880 0.7880 0.9547 0.9547 1.0548 1.0548 4.2133 4.2133 4.7823 4.7823 5.8565 5.8565 5.8983 5.8983 6.0392 6.0392 6.6292 6.6292 6.9219 6.9219 6.9637 6.9637 k = 0.0610 0.0352-0.0000 ( 8267 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0442 -36.0442 -19.0771 -19.0771 -18.7143 -18.7143 -18.6709 -18.6709 -17.3401 -17.3401 -17.2806 -17.2806 -16.9814 -16.9814 -16.9039 -16.9039 -16.8988 -16.8988 -16.8807 -16.8807 -11.3810 -11.3810 -11.2952 -11.2952 -1.2662 -1.2662 -0.2391 -0.2391 0.3450 0.3450 0.7527 0.7527 0.7807 0.7807 0.9447 0.9447 1.0446 1.0446 4.2227 4.2227 4.8019 4.8019 5.8317 5.8317 5.8933 5.8933 6.0415 6.0415 6.6426 6.6426 6.9063 6.9063 6.9689 6.9689 k = 0.0732 0.0422-0.0000 ( 8263 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0772 -19.0772 -18.7143 -18.7143 -18.6712 -18.6712 -17.3402 -17.3402 -17.2807 -17.2807 -16.9815 -16.9815 -16.9040 -16.9040 -16.8990 -16.8990 -16.8809 -16.8809 -11.3793 -11.3793 -11.2941 -11.2941 -1.2562 -1.2562 -0.2374 -0.2374 0.3420 0.3420 0.7397 0.7397 0.7714 0.7714 0.9338 0.9338 1.0328 1.0328 4.2340 4.2340 4.8243 4.8243 5.8021 5.8021 5.8875 5.8875 6.0444 6.0444 6.6581 6.6581 6.8893 6.8893 6.9755 6.9755 k = 0.0854 0.0493-0.0000 ( 8243 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0773 -19.0773 -18.7144 -18.7144 -18.6715 -18.6715 -17.3402 -17.3402 -17.2809 -17.2809 -16.9816 -16.9816 -16.9041 -16.9041 -16.8994 -16.8994 -16.8812 -16.8812 -11.3773 -11.3773 -11.2929 -11.2929 -1.2444 -1.2444 -0.2354 -0.2354 0.3379 0.3379 0.7243 0.7243 0.7601 0.7601 0.9224 0.9224 1.0196 1.0196 4.2471 4.2471 4.8487 4.8487 5.7684 5.7684 5.8809 5.8809 6.0479 6.0479 6.6752 6.6752 6.8719 6.8719 6.9835 6.9835 k = 0.0976 0.0563-0.0000 ( 8229 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0442 -36.0442 -19.0774 -19.0774 -18.7144 -18.7144 -18.6718 -18.6718 -17.3402 -17.3402 -17.2811 -17.2811 -16.9817 -16.9817 -16.9042 -16.9042 -16.8997 -16.8997 -16.8816 -16.8816 -11.3751 -11.3751 -11.2915 -11.2915 -1.2309 -1.2309 -0.2332 -0.2332 0.3327 0.3327 0.7064 0.7064 0.7469 0.7469 0.9110 0.9110 1.0054 1.0054 4.2619 4.2619 4.8737 4.8737 5.7316 5.7316 5.8735 5.8735 6.0524 6.0524 6.6934 6.6934 6.8549 6.8549 6.9931 6.9931 k = 0.1098 0.0634-0.0000 ( 8235 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0441 -36.0441 -19.0776 -19.0776 -18.7145 -18.7145 -18.6722 -18.6722 -17.3403 -17.3403 -17.2813 -17.2813 -16.9818 -16.9818 -16.9043 -16.9043 -16.9001 -16.9001 -16.8820 -16.8820 -11.3726 -11.3726 -11.2899 -11.2899 -1.2158 -1.2158 -0.2309 -0.2309 0.3260 0.3260 0.6859 0.6859 0.7319 0.7319 0.9001 0.9001 0.9905 0.9905 4.2783 4.2783 4.8979 4.8979 5.6929 5.6929 5.8652 5.8652 6.0579 6.0579 6.7123 6.7123 6.8390 6.8390 7.0042 7.0042 k = 0.1220 0.0704-0.0000 ( 8227 PWs) bands (ev): -37.8521 -37.8521 -36.0588 -36.0588 -36.0441 -36.0441 -19.0777 -19.0777 -18.7146 -18.7146 -18.6726 -18.6726 -17.3403 -17.3403 -17.2816 -17.2816 -16.9820 -16.9820 -16.9045 -16.9045 -16.9005 -16.9005 -16.8824 -16.8824 -11.3698 -11.3698 -11.2882 -11.2882 -1.1990 -1.1990 -0.2285 -0.2285 0.3176 0.3176 0.6631 0.6631 0.7157 0.7157 0.8899 0.8899 0.9751 0.9751 4.2962 4.2962 4.9194 4.9194 5.6538 5.6538 5.8562 5.8562 6.0647 6.0647 6.7313 6.7313 6.8249 6.8249 7.0169 7.0169 k = 0.1341 0.0774-0.0000 ( 8231 PWs) bands (ev): -37.8521 -37.8521 -36.0588 -36.0588 -36.0441 -36.0441 -19.0779 -19.0779 -18.7147 -18.7147 -18.6731 -18.6731 -17.3404 -17.3404 -17.2819 -17.2819 -16.9822 -16.9822 -16.9047 -16.9047 -16.9009 -16.9009 -16.8829 -16.8829 -11.3668 -11.3668 -11.2863 -11.2863 -1.1807 -1.1807 -0.2260 -0.2260 0.3072 0.3072 0.6380 0.6380 0.6988 0.6988 0.8804 0.8804 0.9595 0.9595 4.3154 4.3154 4.9359 4.9359 5.6164 5.6164 5.8464 5.8464 6.0731 6.0731 6.7499 6.7499 6.8128 6.8128 7.0313 7.0313 k = 0.1463 0.0845-0.0000 ( 8229 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0781 -19.0781 -18.7148 -18.7148 -18.6736 -18.6736 -17.3405 -17.3405 -17.2822 -17.2822 -16.9824 -16.9824 -16.9050 -16.9050 -16.9012 -16.9012 -16.8834 -16.8834 -11.3636 -11.3636 -11.2843 -11.2843 -1.1610 -1.1610 -0.2236 -0.2236 0.2945 0.2945 0.6107 0.6107 0.6818 0.6818 0.8717 0.8717 0.9439 0.9439 4.3359 4.3359 4.9450 4.9450 5.5828 5.5828 5.8359 5.8359 6.0835 6.0835 6.7678 6.7678 6.8032 6.8032 7.0474 7.0474 k = 0.1585 0.0915-0.0000 ( 8229 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0783 -19.0783 -18.7149 -18.7149 -18.6741 -18.6741 -17.3406 -17.3406 -17.2825 -17.2825 -16.9826 -16.9826 -16.9054 -16.9054 -16.9016 -16.9016 -16.8839 -16.8839 -11.3602 -11.3602 -11.2821 -11.2821 -1.1398 -1.1398 -0.2212 -0.2212 0.2793 0.2793 0.5817 0.5817 0.6653 0.6653 0.8637 0.8637 0.9285 0.9285 4.3575 4.3575 4.9441 4.9441 5.5553 5.5553 5.8249 5.8249 6.0962 6.0962 6.7846 6.7846 6.7962 6.7962 7.0652 7.0652 k = 0.1707 0.0986-0.0000 ( 8237 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0785 -19.0785 -18.7150 -18.7150 -18.6746 -18.6746 -17.3407 -17.3407 -17.2829 -17.2829 -16.9828 -16.9828 -16.9058 -16.9058 -16.9019 -16.9019 -16.8845 -16.8845 -11.3566 -11.3566 -11.2799 -11.2799 -1.1173 -1.1173 -0.2191 -0.2191 0.2615 0.2615 0.5511 0.5511 0.6500 0.6500 0.8563 0.8563 0.9132 0.9132 4.3802 4.3802 4.9314 4.9314 5.5353 5.5353 5.8133 5.8133 6.1115 6.1115 6.7915 6.7915 6.8006 6.8006 7.0847 7.0847 k = 0.1829 0.1056-0.0000 ( 8235 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0788 -19.0788 -18.7151 -18.7151 -18.6752 -18.6752 -17.3407 -17.3407 -17.2832 -17.2832 -16.9830 -16.9830 -16.9064 -16.9064 -16.9021 -16.9021 -16.8850 -16.8850 -11.3529 -11.3529 -11.2776 -11.2776 -1.0936 -1.0936 -0.2173 -0.2173 0.2412 0.2412 0.5194 0.5194 0.6360 0.6360 0.8495 0.8495 0.8984 0.8984 4.4038 4.4038 4.9062 4.9062 5.5233 5.5233 5.8013 5.8013 6.1295 6.1295 6.7899 6.7899 6.8148 6.8148 7.1060 7.1060 k = 0.1951 0.1127-0.0000 ( 8243 PWs) bands (ev): -37.8518 -37.8518 -36.0586 -36.0586 -36.0438 -36.0438 -19.0790 -19.0790 -18.7153 -18.7153 -18.6757 -18.6757 -17.3408 -17.3408 -17.2836 -17.2836 -16.9832 -16.9832 -16.9070 -16.9070 -16.9023 -16.9023 -16.8856 -16.8856 -11.3490 -11.3490 -11.2751 -11.2751 -1.0688 -1.0688 -0.2159 -0.2159 0.2184 0.2184 0.4869 0.4869 0.6236 0.6236 0.8429 0.8429 0.8840 0.8840 4.4283 4.4283 4.8695 4.8695 5.5185 5.5185 5.7889 5.7889 6.1503 6.1503 6.7908 6.7908 6.8276 6.8276 7.1289 7.1289 k = 0.2073 0.1197-0.0000 ( 8237 PWs) bands (ev): -37.8518 -37.8518 -36.0585 -36.0585 -36.0438 -36.0438 -19.0792 -19.0792 -18.7154 -18.7154 -18.6763 -18.6763 -17.3409 -17.3409 -17.2840 -17.2840 -16.9835 -16.9835 -16.9077 -16.9077 -16.9024 -16.9024 -16.8862 -16.8862 -11.3451 -11.3451 -11.2726 -11.2726 -1.0430 -1.0430 -0.2150 -0.2150 0.1937 0.1937 0.4539 0.4539 0.6129 0.6129 0.8367 0.8367 0.8702 0.8702 4.4535 4.4535 4.8230 4.8230 5.5189 5.5189 5.7762 5.7762 6.1737 6.1737 6.7943 6.7943 6.8390 6.8390 7.1534 7.1534 k = 0.2195 0.1267-0.0000 ( 8235 PWs) bands (ev): -37.8518 -37.8518 -36.0584 -36.0584 -36.0438 -36.0438 -19.0795 -19.0795 -18.7155 -18.7155 -18.6769 -18.6769 -17.3410 -17.3410 -17.2844 -17.2844 -16.9837 -16.9837 -16.9084 -16.9084 -16.9026 -16.9026 -16.8868 -16.8868 -11.3410 -11.3410 -11.2701 -11.2701 -1.0162 -1.0162 -0.2149 -0.2149 0.1673 0.1673 0.4208 0.4208 0.6037 0.6037 0.8303 0.8303 0.8573 0.8573 4.4794 4.4794 4.7690 4.7690 5.5227 5.5227 5.7634 5.7634 6.1993 6.1993 6.8005 6.8005 6.8489 6.8489 7.1795 7.1795 k = 0.2317 0.1338-0.0000 ( 8241 PWs) bands (ev): -37.8517 -37.8517 -36.0584 -36.0584 -36.0437 -36.0437 -19.0798 -19.0798 -18.7157 -18.7157 -18.6775 -18.6775 -17.3412 -17.3412 -17.2848 -17.2848 -16.9840 -16.9840 -16.9091 -16.9091 -16.9027 -16.9027 -16.8875 -16.8875 -11.3369 -11.3369 -11.2675 -11.2675 -0.9888 -0.9888 -0.2155 -0.2155 0.1398 0.1398 0.3879 0.3879 0.5959 0.5959 0.8233 0.8233 0.8459 0.8459 4.5059 4.5059 4.7094 4.7094 5.5281 5.5281 5.7504 5.7504 6.2265 6.2265 6.8093 6.8093 6.8573 6.8573 7.2069 7.2069 k = 0.2439 0.1408-0.0000 ( 8229 PWs) bands (ev): -37.8517 -37.8517 -36.0583 -36.0583 -36.0437 -36.0437 -19.0800 -19.0800 -18.7158 -18.7158 -18.6781 -18.6781 -17.3413 -17.3413 -17.2852 -17.2852 -16.9842 -16.9842 -16.9098 -16.9098 -16.9027 -16.9027 -16.8881 -16.8881 -11.3327 -11.3327 -11.2648 -11.2648 -0.9607 -0.9607 -0.2171 -0.2171 0.1117 0.1117 0.3557 0.3557 0.5893 0.5893 0.8150 0.8150 0.8367 0.8367 4.5328 4.5328 4.6462 4.6462 5.5339 5.5339 5.7374 5.7374 6.2545 6.2545 6.8209 6.8209 6.8642 6.8642 7.2357 7.2357 k = 0.2561 0.1479-0.0000 ( 8232 PWs) bands (ev): -37.8516 -37.8516 -36.0583 -36.0583 -36.0436 -36.0436 -19.0803 -19.0803 -18.7160 -18.7160 -18.6787 -18.6787 -17.3414 -17.3414 -17.2856 -17.2856 -16.9844 -16.9844 -16.9106 -16.9106 -16.9028 -16.9028 -16.8887 -16.8887 -11.3285 -11.3285 -11.2622 -11.2622 -0.9322 -0.9322 -0.2198 -0.2198 0.0834 0.0834 0.3244 0.3244 0.5836 0.5836 0.8050 0.8050 0.8299 0.8299 4.5599 4.5599 4.5807 4.5807 5.5395 5.5395 5.7244 5.7244 6.2822 6.2822 6.8354 6.8354 6.8696 6.8696 7.2657 7.2657 k = 0.2683 0.1549-0.0000 ( 8220 PWs) bands (ev): -37.8516 -37.8516 -36.0582 -36.0582 -36.0435 -36.0435 -19.0805 -19.0805 -18.7161 -18.7161 -18.6792 -18.6792 -17.3415 -17.3415 -17.2860 -17.2860 -16.9847 -16.9847 -16.9114 -16.9114 -16.9029 -16.9029 -16.8893 -16.8893 -11.3243 -11.3243 -11.2596 -11.2596 -0.9034 -0.9034 -0.2238 -0.2238 0.0553 0.0553 0.2943 0.2943 0.5787 0.5787 0.7941 0.7941 0.8250 0.8250 4.5136 4.5136 4.5877 4.5877 5.5444 5.5444 5.7116 5.7116 6.3088 6.3088 6.8529 6.8529 6.8738 6.8738 7.2968 7.2968 k = 0.2805 0.1619-0.0000 ( 8206 PWs) bands (ev): -37.8515 -37.8515 -36.0582 -36.0582 -36.0435 -36.0435 -19.0808 -19.0808 -18.7163 -18.7163 -18.6798 -18.6798 -17.3416 -17.3416 -17.2864 -17.2864 -16.9849 -16.9849 -16.9121 -16.9121 -16.9029 -16.9029 -16.8899 -16.8899 -11.3202 -11.3202 -11.2570 -11.2570 -0.8746 -0.8746 -0.2291 -0.2291 0.0279 0.0279 0.2658 0.2658 0.5744 0.5744 0.7829 0.7829 0.8213 0.8213 4.4464 4.4464 4.6153 4.6153 5.5485 5.5485 5.6990 5.6990 6.3333 6.3333 6.8711 6.8711 6.8788 6.8788 7.3287 7.3287 k = 0.2927 0.1690-0.0000 ( 8216 PWs) bands (ev): -37.8515 -37.8515 -36.0581 -36.0581 -36.0434 -36.0434 -19.0810 -19.0810 -18.7164 -18.7164 -18.6803 -18.6803 -17.3417 -17.3417 -17.2868 -17.2868 -16.9852 -16.9852 -16.9129 -16.9129 -16.9030 -16.9030 -16.8906 -16.8906 -11.3161 -11.3161 -11.2544 -11.2544 -0.8459 -0.8459 -0.2358 -0.2358 0.0013 0.0013 0.2392 0.2392 0.5705 0.5705 0.7718 0.7718 0.8185 0.8185 4.3796 4.3796 4.6430 4.6430 5.5516 5.5516 5.6866 5.6866 6.3551 6.3551 6.8757 6.8757 6.8991 6.8991 7.3613 7.3613 k = 0.3049 0.1760-0.0000 ( 8210 PWs) bands (ev): -37.8514 -37.8514 -36.0581 -36.0581 -36.0434 -36.0434 -19.0813 -19.0813 -18.7166 -18.7166 -18.6809 -18.6809 -17.3418 -17.3418 -17.2872 -17.2872 -16.9854 -16.9854 -16.9137 -16.9137 -16.9030 -16.9030 -16.8911 -16.8911 -11.3121 -11.3121 -11.2518 -11.2518 -0.8176 -0.8176 -0.2437 -0.2437 -0.0241 -0.0241 0.2146 0.2146 0.5670 0.5670 0.7609 0.7609 0.8163 0.8163 4.3138 4.3138 4.6705 4.6705 5.5539 5.5539 5.6747 5.6747 6.3737 6.3737 6.8756 6.8756 6.9257 6.9257 7.3945 7.3945 k = 0.3171 0.1831-0.0000 ( 8216 PWs) bands (ev): -37.8514 -37.8514 -36.0580 -36.0580 -36.0434 -36.0434 -19.0815 -19.0815 -18.7167 -18.7167 -18.6814 -18.6814 -17.3419 -17.3419 -17.2876 -17.2876 -16.9856 -16.9856 -16.9144 -16.9144 -16.9030 -16.9030 -16.8917 -16.8917 -11.3082 -11.3082 -11.2494 -11.2494 -0.7899 -0.7899 -0.2528 -0.2528 -0.0483 -0.0483 0.1923 0.1923 0.5637 0.5637 0.7504 0.7504 0.8146 0.8146 4.2495 4.2495 4.6977 4.6977 5.5555 5.5555 5.6631 5.6631 6.3891 6.3891 6.8738 6.8738 6.9552 6.9552 7.4279 7.4279 k = 0.3293 0.1901-0.0000 ( 8206 PWs) bands (ev): -37.8513 -37.8513 -36.0580 -36.0580 -36.0433 -36.0433 -19.0818 -19.0818 -18.7169 -18.7169 -18.6819 -18.6819 -17.3420 -17.3420 -17.2879 -17.2879 -16.9859 -16.9859 -16.9151 -16.9151 -16.9031 -16.9031 -16.8923 -16.8923 -11.3044 -11.3044 -11.2470 -11.2470 -0.7631 -0.7631 -0.2627 -0.2627 -0.0713 -0.0713 0.1723 0.1723 0.5606 0.5606 0.7403 0.7403 0.8134 0.8134 4.1871 4.1871 4.7244 4.7244 5.5565 5.5565 5.6520 5.6520 6.4014 6.4014 6.8707 6.8707 6.9867 6.9867 7.4612 7.4612 k = 0.3415 0.1971-0.0000 ( 8204 PWs) bands (ev): -37.8513 -37.8513 -36.0579 -36.0579 -36.0433 -36.0433 -19.0820 -19.0820 -18.7170 -18.7170 -18.6824 -18.6824 -17.3421 -17.3421 -17.2883 -17.2883 -16.9861 -16.9861 -16.9158 -16.9158 -16.9031 -16.9031 -16.8928 -16.8928 -11.3007 -11.3007 -11.2447 -11.2447 -0.7376 -0.7376 -0.2729 -0.2729 -0.0931 -0.0931 0.1547 0.1547 0.5577 0.5577 0.7308 0.7308 0.8125 0.8125 4.1272 4.1272 4.7506 4.7506 5.5570 5.5570 5.6414 5.6414 6.4109 6.4109 6.8665 6.8665 7.0196 7.0196 7.4931 7.4932 k = 0.3537 0.2042-0.0000 ( 8194 PWs) bands (ev): -37.8512 -37.8512 -36.0579 -36.0579 -36.0432 -36.0432 -19.0822 -19.0822 -18.7172 -18.7172 -18.6828 -18.6828 -17.3422 -17.3422 -17.2886 -17.2886 -16.9863 -16.9863 -16.9164 -16.9164 -16.9031 -16.9031 -16.8933 -16.8933 -11.2973 -11.2973 -11.2425 -11.2425 -0.7135 -0.7135 -0.2831 -0.2831 -0.1137 -0.1137 0.1393 0.1393 0.5549 0.5549 0.7219 0.7219 0.8120 0.8120 4.0700 4.0700 4.7759 4.7759 5.5569 5.5569 5.6314 5.6314 6.4182 6.4182 6.8612 6.8612 7.0531 7.0531 7.5091 7.5096 k = 0.3659 0.2112-0.0000 ( 8190 PWs) bands (ev): -37.8512 -37.8512 -36.0578 -36.0578 -36.0432 -36.0432 -19.0824 -19.0824 -18.7173 -18.7173 -18.6832 -18.6832 -17.3423 -17.3423 -17.2890 -17.2890 -16.9865 -16.9865 -16.9171 -16.9171 -16.9031 -16.9031 -16.8937 -16.8937 -11.2940 -11.2940 -11.2405 -11.2405 -0.6914 -0.6914 -0.2927 -0.2927 -0.1332 -0.1332 0.1262 0.1262 0.5523 0.5523 0.7136 0.7136 0.8117 0.8117 4.0160 4.0160 4.8003 4.8003 5.5566 5.5566 5.6220 5.6220 6.4237 6.4237 6.8550 6.8550 7.0865 7.0865 7.5169 7.5169 k = 0.3780 0.2183-0.0000 ( 8186 PWs) bands (ev): -37.8512 -37.8512 -36.0578 -36.0578 -36.0431 -36.0431 -19.0826 -19.0826 -18.7175 -18.7175 -18.6836 -18.6836 -17.3424 -17.3424 -17.2892 -17.2892 -16.9867 -16.9867 -16.9176 -16.9176 -16.9031 -16.9031 -16.8942 -16.8942 -11.2910 -11.2910 -11.2385 -11.2385 -0.6713 -0.6713 -0.3012 -0.3012 -0.1515 -0.1515 0.1149 0.1149 0.5498 0.5498 0.7059 0.7059 0.8116 0.8116 3.9654 3.9654 4.8235 4.8235 5.5559 5.5559 5.6133 5.6133 6.4278 6.4278 6.8482 6.8482 7.1190 7.1190 7.5250 7.5258 k = 0.3902 0.2253-0.0000 ( 8194 PWs) bands (ev): -37.8511 -37.8511 -36.0578 -36.0578 -36.0431 -36.0431 -19.0828 -19.0828 -18.7176 -18.7176 -18.6839 -18.6839 -17.3425 -17.3425 -17.2895 -17.2895 -16.9868 -16.9868 -16.9181 -16.9181 -16.9031 -16.9031 -16.8946 -16.8946 -11.2882 -11.2882 -11.2368 -11.2368 -0.6538 -0.6538 -0.3082 -0.3082 -0.1687 -0.1687 0.1055 0.1055 0.5475 0.5475 0.6988 0.6988 0.8117 0.8117 3.9186 3.9186 4.8453 4.8453 5.5550 5.5550 5.6053 5.6053 6.4310 6.4310 6.8409 6.8409 7.1500 7.1500 7.5337 7.5342 k = 0.4024 0.2323-0.0000 ( 8198 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0431 -36.0431 -19.0830 -19.0830 -18.7177 -18.7177 -18.6843 -18.6843 -17.3426 -17.3426 -17.2898 -17.2898 -16.9870 -16.9870 -16.9186 -16.9186 -16.9032 -16.9032 -16.8950 -16.8950 -11.2856 -11.2856 -11.2351 -11.2351 -0.6388 -0.6388 -0.3133 -0.3133 -0.1846 -0.1846 0.0975 0.0975 0.5453 0.5453 0.6925 0.6925 0.8119 0.8119 3.8759 3.8759 4.8655 4.8655 5.5540 5.5540 5.5981 5.5981 6.4336 6.4336 6.8335 6.8335 7.1788 7.1788 7.5427 7.5428 k = 0.4146 0.2394-0.0000 ( 8212 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0431 -36.0431 -19.0831 -19.0831 -18.7178 -18.7178 -18.6846 -18.6846 -17.3426 -17.3426 -17.2900 -17.2900 -16.9871 -16.9871 -16.9191 -16.9191 -16.9032 -16.9032 -16.8953 -16.8953 -11.2833 -11.2833 -11.2337 -11.2337 -0.6266 -0.6266 -0.3164 -0.3164 -0.1993 -0.1993 0.0909 0.0909 0.5433 0.5433 0.6868 0.6868 0.8122 0.8122 3.8375 3.8375 4.8839 4.8839 5.5529 5.5529 5.5916 5.5916 6.4357 6.4357 6.8261 6.8261 7.2050 7.2050 7.5517 7.5524 k = 0.4268 0.2464-0.0000 ( 8204 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0430 -36.0430 -19.0833 -19.0833 -18.7179 -18.7179 -18.6848 -18.6848 -17.3427 -17.3427 -17.2902 -17.2902 -16.9873 -16.9873 -16.9195 -16.9195 -16.9032 -16.9032 -16.8956 -16.8956 -11.2812 -11.2812 -11.2324 -11.2324 -0.6170 -0.6170 -0.3176 -0.3176 -0.2126 -0.2126 0.0854 0.0854 0.5415 0.5415 0.6819 0.6819 0.8126 0.8126 3.8036 3.8036 4.9004 4.9004 5.5518 5.5518 5.5859 5.5859 6.4376 6.4376 6.8190 6.8190 7.2280 7.2280 7.5595 7.5602 k = 0.4390 0.2535-0.0000 ( 8196 PWs) bands (ev): -37.8510 -37.8510 -36.0577 -36.0577 -36.0430 -36.0430 -19.0834 -19.0834 -18.7180 -18.7180 -18.6850 -18.6850 -17.3427 -17.3427 -17.2904 -17.2904 -16.9874 -16.9874 -16.9198 -16.9198 -16.9032 -16.9032 -16.8958 -16.8958 -11.2795 -11.2795 -11.2313 -11.2313 -0.6097 -0.6097 -0.3171 -0.3171 -0.2245 -0.2245 0.0810 0.0810 0.5400 0.5400 0.6777 0.6777 0.8129 0.8129 3.7746 3.7746 4.9146 4.9146 5.5507 5.5507 5.5811 5.5811 6.4392 6.4392 6.8126 6.8126 7.2477 7.2477 7.5646 7.5682 k = 0.4512 0.2605-0.0000 ( 8190 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0835 -19.0835 -18.7181 -18.7181 -18.6852 -18.6852 -17.3428 -17.3428 -17.2905 -17.2905 -16.9874 -16.9874 -16.9200 -16.9200 -16.9032 -16.9032 -16.8960 -16.8960 -11.2781 -11.2781 -11.2304 -11.2304 -0.6046 -0.6046 -0.3152 -0.3152 -0.2349 -0.2349 0.0775 0.0775 0.5387 0.5387 0.6742 0.6742 0.8133 0.8133 3.7506 3.7506 4.9266 4.9266 5.5498 5.5498 5.5771 5.5771 6.4405 6.4405 6.8070 6.8070 7.2638 7.2638 7.5681 7.5740 k = 0.4634 0.2676-0.0000 ( 8184 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0835 -19.0835 -18.7181 -18.7181 -18.6853 -18.6853 -17.3428 -17.3428 -17.2907 -17.2907 -16.9875 -16.9875 -16.9202 -16.9202 -16.9032 -16.9032 -16.8961 -16.8961 -11.2769 -11.2769 -11.2297 -11.2297 -0.6011 -0.6011 -0.3127 -0.3127 -0.2435 -0.2435 0.0748 0.0748 0.5377 0.5377 0.6715 0.6715 0.8135 0.8135 3.7317 3.7317 4.9360 4.9360 5.5490 5.5490 5.5740 5.5740 6.4417 6.4417 6.8024 6.8024 7.2762 7.2762 7.5707 7.5709 k = 0.4756 0.2746-0.0000 ( 8178 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2907 -17.2907 -16.9876 -16.9876 -16.9204 -16.9204 -16.9032 -16.9032 -16.8963 -16.8963 -11.2761 -11.2761 -11.2292 -11.2292 -0.5989 -0.5989 -0.3100 -0.3100 -0.2503 -0.2503 0.0729 0.0729 0.5370 0.5370 0.6696 0.6696 0.8137 0.8137 3.7181 3.7181 4.9429 4.9429 5.5484 5.5484 5.5718 5.5718 6.4426 6.4426 6.7990 6.7990 7.2850 7.2850 7.5726 7.5726 k = 0.4878 0.2816-0.0000 ( 8166 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9204 -16.9204 -16.9032 -16.9032 -16.8963 -16.8963 -11.2756 -11.2756 -11.2289 -11.2289 -0.5977 -0.5977 -0.3079 -0.3079 -0.2546 -0.2546 0.0718 0.0718 0.5365 0.5365 0.6684 0.6684 0.8139 0.8139 3.7100 3.7100 4.9470 4.9470 5.5480 5.5480 5.5705 5.5705 6.4431 6.4431 6.7969 6.7969 7.2903 7.2903 7.5737 7.5737 k = 0.5000 0.2887-0.0000 ( 8162 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2755 -11.2755 -11.2288 -11.2288 -0.5974 -0.5974 -0.3071 -0.3071 -0.2561 -0.2561 0.0714 0.0714 0.5364 0.5364 0.6681 0.6681 0.8139 0.8139 3.7072 3.7072 4.9484 4.9484 5.5479 5.5479 5.5700 5.5700 6.4433 6.4433 6.7962 6.7962 7.2920 7.2920 7.5740 7.5741 k = 0.5000 0.2887-0.0000 ( 8162 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2755 -11.2755 -11.2288 -11.2288 -0.5974 -0.5974 -0.3071 -0.3071 -0.2561 -0.2561 0.0714 0.0714 0.5364 0.5364 0.6681 0.6681 0.8139 0.8139 3.7072 3.7072 4.9484 4.9484 5.5479 5.5479 5.5700 5.5700 6.4433 6.4433 6.7962 6.7962 7.2920 7.2920 7.5740 7.5745 k = 0.4931 0.3007-0.0000 ( 8158 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0837 -19.0835 -18.7182 -18.7181 -18.6856 -18.6853 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8963 -11.2755 -11.2754 -11.2287 -11.2287 -0.5974 -0.5960 -0.3078 -0.3058 -0.2565 -0.2551 0.0713 0.0721 0.5331 0.5375 0.6660 0.6674 0.8130 0.8134 3.7083 3.7084 4.9488 4.9489 5.5337 5.5344 5.5790 5.5819 6.4449 6.4481 6.7984 6.7990 7.2921 7.2925 7.5724 7.5736 k = 0.4861 0.3127-0.0000 ( 8168 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0838 -19.0834 -18.7183 -18.7180 -18.6858 -18.6852 -17.3429 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9204 -16.9032 -16.9032 -16.8964 -16.8963 -11.2754 -11.2752 -11.2287 -11.2286 -0.5962 -0.5932 -0.3078 -0.3037 -0.2562 -0.2534 0.0718 0.0732 0.5276 0.5364 0.6611 0.6639 0.8106 0.8115 3.7115 3.7117 4.9501 4.9503 5.5088 5.5088 5.5937 5.5980 6.4527 6.4590 6.8055 6.8068 7.2926 7.2934 7.5686 7.5710 k = 0.4792 0.3248-0.0000 ( 8172 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0839 -19.0834 -18.7183 -18.7180 -18.6860 -18.6851 -17.3429 -17.3428 -17.2909 -17.2908 -16.9876 -16.9875 -16.9205 -16.9204 -16.9033 -16.9033 -16.8965 -16.8964 -11.2751 -11.2749 -11.2285 -11.2284 -0.5936 -0.5892 -0.3072 -0.3010 -0.2553 -0.2511 0.0728 0.0749 0.5197 0.5332 0.6535 0.6577 0.8069 0.8083 3.7168 3.7173 4.9522 4.9526 5.4769 5.4777 5.6087 5.6142 6.4664 6.4759 6.8175 6.8194 7.2932 7.2942 7.5629 7.5663 k = 0.4722 0.3368-0.0000 ( 8180 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0840 -19.0833 -18.7183 -18.7179 -18.6863 -18.6851 -17.3429 -17.3428 -17.2909 -17.2908 -16.9877 -16.9875 -16.9205 -16.9204 -16.9034 -16.9034 -16.8967 -16.8964 -11.2748 -11.2745 -11.2283 -11.2282 -0.5897 -0.5839 -0.3061 -0.2975 -0.2538 -0.2481 0.0744 0.0772 0.5094 0.5278 0.6433 0.6488 0.8021 0.8042 3.7244 3.7249 4.9552 4.9557 5.4390 5.4405 5.6241 5.6309 6.4857 6.4982 6.8340 6.8367 7.2932 7.2943 7.5554 7.5593 k = 0.4653 0.3488-0.0000 ( 8200 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0841 -19.0833 -18.7184 -18.7178 -18.6866 -18.6851 -17.3430 -17.3429 -17.2910 -17.2908 -16.9877 -16.9875 -16.9205 -16.9203 -16.9036 -16.9036 -16.8968 -16.8966 -11.2744 -11.2740 -11.2280 -11.2279 -0.5846 -0.5774 -0.3043 -0.2934 -0.2517 -0.2445 0.0765 0.0800 0.4966 0.5200 0.6305 0.6375 0.7965 0.7994 3.7340 3.7347 4.9590 4.9596 5.3955 5.3975 5.6406 5.6486 6.5099 6.5253 6.8550 6.8583 7.2918 7.2929 7.5464 7.5496 k = 0.4583 0.3608-0.0000 ( 8200 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0842 -19.0832 -18.7184 -18.7177 -18.6869 -18.6851 -17.3430 -17.3429 -17.2910 -17.2908 -16.9877 -16.9875 -16.9204 -16.9203 -16.9037 -16.9037 -16.8970 -16.8967 -11.2739 -11.2735 -11.2277 -11.2275 -0.5782 -0.5697 -0.3022 -0.2886 -0.2490 -0.2402 0.0791 0.0834 0.4810 0.5099 0.6155 0.6239 0.7903 0.7942 3.7458 3.7465 4.9636 4.9642 5.3468 5.3493 5.6585 5.6677 6.5384 6.5568 6.8799 6.8839 7.2884 7.2893 7.5365 7.5395 k = 0.4514 0.3729-0.0000 ( 8192 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0843 -19.0832 -18.7183 -18.7176 -18.6872 -18.6851 -17.3430 -17.3429 -17.2911 -17.2909 -16.9877 -16.9875 -16.9204 -16.9202 -16.9039 -16.9039 -16.8971 -16.8968 -11.2734 -11.2728 -11.2273 -11.2271 -0.5706 -0.5608 -0.2995 -0.2830 -0.2457 -0.2354 0.0822 0.0872 0.4628 0.4974 0.5983 0.6081 0.7840 0.7889 3.7596 3.7604 4.9688 4.9696 5.2935 5.2964 5.6778 5.6882 6.5707 6.5919 6.9084 6.9130 7.2827 7.2832 7.5258 7.5304 k = 0.4444 0.3849-0.0000 ( 8196 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0844 -19.0831 -18.7183 -18.7175 -18.6875 -18.6852 -17.3430 -17.3429 -17.2911 -17.2909 -16.9877 -16.9875 -16.9204 -16.9201 -16.9041 -16.9041 -16.8973 -16.8969 -11.2727 -11.2721 -11.2269 -11.2267 -0.5619 -0.5509 -0.2966 -0.2768 -0.2420 -0.2301 0.0859 0.0916 0.4419 0.4825 0.5792 0.5905 0.7777 0.7838 3.7755 3.7763 4.9746 4.9755 5.2363 5.2395 5.6986 5.7102 6.6061 6.6301 6.9399 6.9453 7.2747 7.2748 7.5142 7.5204 k = 0.4375 0.3969-0.0000 ( 8206 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0846 -19.0831 -18.7183 -18.7174 -18.6879 -18.6853 -17.3431 -17.3429 -17.2912 -17.2910 -16.9877 -16.9875 -16.9203 -16.9201 -16.9043 -16.9043 -16.8975 -16.8971 -11.2720 -11.2714 -11.2264 -11.2262 -0.5521 -0.5399 -0.2934 -0.2698 -0.2379 -0.2243 0.0901 0.0965 0.4185 0.4653 0.5584 0.5712 0.7719 0.7790 3.7934 3.7942 4.9810 4.9820 5.1760 5.1794 5.7207 5.7334 6.6439 6.6705 6.9739 6.9800 7.2645 7.2650 7.5022 7.5095 k = 0.4306 0.4090-0.0000 ( 8218 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0847 -19.0831 -18.7183 -18.7173 -18.6882 -18.6854 -17.3431 -17.3429 -17.2913 -17.2910 -16.9878 -16.9875 -16.9203 -16.9200 -16.9046 -16.9046 -16.8977 -16.8972 -11.2713 -11.2705 -11.2259 -11.2257 -0.5414 -0.5282 -0.2900 -0.2622 -0.2334 -0.2181 0.0948 0.1019 0.3927 0.4460 0.5362 0.5505 0.7665 0.7746 3.8132 3.8140 4.9877 4.9888 5.1131 5.1167 5.7439 5.7577 6.6832 6.7124 7.0099 7.0167 7.2533 7.2544 7.4899 7.4979 k = 0.4236 0.4210-0.0000 ( 8214 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0848 -19.0831 -18.7183 -18.7171 -18.6886 -18.6855 -17.3431 -17.3429 -17.2914 -17.2911 -16.9878 -16.9875 -16.9203 -16.9199 -16.9048 -16.9048 -16.8980 -16.8974 -11.2705 -11.2697 -11.2254 -11.2251 -0.5296 -0.5156 -0.2866 -0.2538 -0.2286 -0.2115 0.1000 0.1078 0.3648 0.4250 0.5128 0.5287 0.7618 0.7708 3.8349 3.8357 4.9947 4.9957 5.0486 5.0526 5.7681 5.7829 6.7232 6.7549 7.0471 7.0547 7.2423 7.2439 7.4777 7.4861 k = 0.4167 0.4330-0.0000 ( 8222 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0849 -19.0831 -18.7183 -18.7170 -18.6890 -18.6856 -17.3431 -17.3429 -17.2915 -17.2912 -16.9878 -16.9874 -16.9202 -16.9199 -16.9051 -16.9051 -16.8982 -16.8976 -11.2697 -11.2688 -11.2248 -11.2246 -0.5171 -0.5025 -0.2832 -0.2447 -0.2236 -0.2047 0.1058 0.1142 0.3351 0.4026 0.4885 0.5061 0.7577 0.7675 3.8584 3.8592 4.9817 4.9840 5.0032 5.0061 5.7928 5.8086 6.7628 6.7967 7.0850 7.0933 7.2327 7.2347 7.4656 7.4745 k = 0.4097 0.4450-0.0000 ( 8210 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0850 -19.0830 -18.7182 -18.7169 -18.6893 -18.6857 -17.3431 -17.3429 -17.2915 -17.2912 -16.9878 -16.9874 -16.9202 -16.9198 -16.9053 -16.9053 -16.8984 -16.8977 -11.2688 -11.2679 -11.2243 -11.2240 -0.5039 -0.4889 -0.2800 -0.2348 -0.2184 -0.1977 0.1120 0.1210 0.3040 0.3793 0.4637 0.4830 0.7542 0.7648 3.8838 3.8845 4.9158 4.9192 5.0101 5.0121 5.8179 5.8346 6.8007 6.8366 7.1228 7.1318 7.2258 7.2281 7.4540 7.4632 k = 0.4028 0.4571-0.0000 ( 8214 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0851 -19.0830 -18.7182 -18.7168 -18.6896 -18.6859 -17.3432 -17.3429 -17.2916 -17.2913 -16.9878 -16.9874 -16.9201 -16.9197 -16.9056 -16.9055 -16.8986 -16.8979 -11.2680 -11.2670 -11.2237 -11.2234 -0.4900 -0.4752 -0.2772 -0.2241 -0.2133 -0.1906 0.1187 0.1283 0.2718 0.3555 0.4385 0.4596 0.7514 0.7625 3.9109 3.9115 4.8494 4.8529 5.0175 5.0195 5.8428 5.8603 6.8355 6.8728 7.1597 7.1696 7.2230 7.2251 7.4429 7.4524 k = 0.3958 0.4691-0.0000 ( 8218 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0852 -19.0830 -18.7182 -18.7167 -18.6900 -18.6860 -17.3432 -17.3430 -17.2917 -17.2913 -16.9878 -16.9874 -16.9201 -16.9197 -16.9058 -16.9057 -16.8988 -16.8981 -11.2671 -11.2661 -11.2232 -11.2229 -0.4758 -0.4614 -0.2749 -0.2126 -0.2082 -0.1836 0.1259 0.1361 0.2390 0.3319 0.4133 0.4364 0.7491 0.7607 3.9396 3.9401 4.7834 4.7869 5.0249 5.0270 5.8671 5.8855 6.8661 6.9040 7.1946 7.2057 7.2255 7.2271 7.4326 7.4423 k = 0.3889 0.4811-0.0000 ( 8210 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0853 -19.0830 -18.7181 -18.7166 -18.6903 -18.6861 -17.3432 -17.3429 -17.2918 -17.2914 -16.9878 -16.9874 -16.9201 -16.9197 -16.9060 -16.9059 -16.8990 -16.8982 -11.2663 -11.2653 -11.2227 -11.2223 -0.4613 -0.4478 -0.2732 -0.2033 -0.2001 -0.1768 0.1334 0.1442 0.2062 0.3089 0.3884 0.4135 0.7473 0.7593 3.9700 3.9704 4.7184 4.7218 5.0321 5.0343 5.8906 5.9097 6.8913 6.9289 7.2240 7.2321 7.2375 7.2412 7.4232 7.4331 k = 0.3819 0.4932-0.0000 ( 8198 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0854 -19.0830 -18.7181 -18.7165 -18.6905 -18.6862 -17.3432 -17.3430 -17.2918 -17.2914 -16.9878 -16.9874 -16.9201 -16.9196 -16.9062 -16.9061 -16.8992 -16.8984 -11.2655 -11.2645 -11.2222 -11.2218 -0.4468 -0.4348 -0.2723 -0.1988 -0.1868 -0.1702 0.1403 0.1528 0.1746 0.2871 0.3639 0.3913 0.7459 0.7582 4.0020 4.0023 4.6547 4.6582 5.0388 5.0411 5.9126 5.9325 6.9108 6.9474 7.2400 7.2454 7.2626 7.2721 7.4150 7.4248 k = 0.3750 0.5052-0.0000 ( 8194 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0854 -19.0830 -18.7181 -18.7164 -18.6908 -18.6864 -17.3433 -17.3430 -17.2919 -17.2915 -16.9878 -16.9874 -16.9201 -16.9196 -16.9064 -16.9063 -16.8993 -16.8985 -11.2648 -11.2637 -11.2217 -11.2213 -0.4325 -0.4226 -0.2724 -0.1946 -0.1730 -0.1636 0.1337 0.1577 0.1616 0.2670 0.3402 0.3700 0.7448 0.7574 4.0353 4.0355 4.5930 4.5964 5.0451 5.0475 5.9327 5.9533 6.9251 6.9602 7.2540 7.2610 7.2891 7.3000 7.4080 7.4178 k = 0.3681 0.5172-0.0000 ( 8194 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0855 -19.0830 -18.7181 -18.7163 -18.6910 -18.6865 -17.3433 -17.3430 -17.2920 -17.2915 -16.9878 -16.9874 -16.9201 -16.9196 -16.9065 -16.9064 -16.8995 -16.8986 -11.2642 -11.2630 -11.2213 -11.2209 -0.4186 -0.4115 -0.2735 -0.1911 -0.1620 -0.1540 0.1052 0.1644 0.1706 0.2492 0.3176 0.3502 0.7440 0.7568 4.0700 4.0701 4.5336 4.5369 5.0508 5.0533 5.9506 5.9717 6.9352 6.9688 7.2679 7.2763 7.3119 7.3239 7.4027 7.4122 k = 0.3611 0.5292-0.0000 ( 8200 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0855 -19.0830 -18.7180 -18.7162 -18.6912 -18.6866 -17.3433 -17.3430 -17.2920 -17.2916 -16.9878 -16.9874 -16.9201 -16.9196 -16.9067 -16.9065 -16.8996 -16.8988 -11.2636 -11.2625 -11.2209 -11.2205 -0.4057 -0.4019 -0.2755 -0.1881 -0.1564 -0.1388 0.0754 0.1744 0.1795 0.2341 0.2961 0.3321 0.7434 0.7564 4.1057 4.1058 4.4770 4.4804 5.0557 5.0583 5.9657 5.9873 6.9424 6.9747 7.2798 7.2889 7.3299 7.3429 7.3994 7.4085 k = 0.3542 0.5413-0.0000 ( 8204 PWs) bands (ev): -37.8509 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7162 -18.6914 -18.6867 -17.3433 -17.3430 -17.2921 -17.2916 -16.9878 -16.9874 -16.9201 -16.9196 -16.9068 -16.9066 -16.8997 -16.8988 -11.2632 -11.2620 -11.2206 -11.2202 -0.3942 -0.3940 -0.2782 -0.1858 -0.1526 -0.1223 0.0475 0.1857 0.1879 0.2220 0.2760 0.3163 0.7431 0.7562 4.1420 4.1422 4.4239 4.4274 5.0597 5.0624 5.9778 5.9998 6.9474 6.9788 7.2885 7.2974 7.3425 7.3564 7.3983 7.4069 k = 0.3472 0.5533-0.0000 ( 8200 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7162 -18.6915 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9068 -16.9067 -16.8998 -16.8989 -11.2628 -11.2616 -11.2204 -11.2200 -0.3881 -0.3849 -0.2812 -0.1843 -0.1501 -0.1061 0.0230 0.1952 0.1979 0.2133 0.2574 0.3037 0.7429 0.7560 4.1780 4.1785 4.3755 4.3794 5.0628 5.0654 5.9865 6.0088 6.9510 6.9818 7.2938 7.3020 7.3498 7.3643 7.3993 7.4075 k = 0.3403 0.5653-0.0000 ( 8198 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7161 -18.6915 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8989 -11.2626 -11.2614 -11.2202 -11.2198 -0.3844 -0.3786 -0.2836 -0.1834 -0.1485 -0.0928 0.0045 0.2005 0.2080 0.2110 0.2404 0.2954 0.7427 0.7560 4.2100 4.2113 4.3353 4.3399 5.0647 5.0673 5.9918 6.0142 6.9532 6.9838 7.2963 7.3039 7.3531 7.3678 7.4009 7.4091 k = 0.3333 0.5774-0.0000 ( 8184 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7161 -18.6915 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8989 -11.2625 -11.2613 -11.2202 -11.2198 -0.3831 -0.3764 -0.2846 -0.1831 -0.1480 -0.0873 -0.0028 0.2024 0.2062 0.2249 0.2252 0.2925 0.7427 0.7559 4.2256 4.2278 4.3163 4.3218 5.0653 5.0680 5.9936 6.0161 6.9541 6.9846 7.2970 7.3043 7.3539 7.3687 7.4017 7.4099 k = 0.3333 0.5774-0.0000 ( 8184 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7161 -18.6915 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8989 -11.2625 -11.2613 -11.2202 -11.2198 -0.3831 -0.3764 -0.2846 -0.1831 -0.1480 -0.0873 -0.0028 0.2024 0.2062 0.2249 0.2252 0.2925 0.7427 0.7559 4.2256 4.2278 4.3163 4.3218 5.0653 5.0680 5.9936 6.0161 6.9541 6.9846 7.2970 7.3043 7.3539 7.3687 7.4017 7.4099 k = 0.3262 0.5651-0.0000 ( 8204 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7161 -18.6915 -18.6868 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8989 -11.2626 -11.2614 -11.2202 -11.2199 -0.3845 -0.3788 -0.2835 -0.1833 -0.1485 -0.0927 0.0045 0.2005 0.2080 0.2111 0.2403 0.2954 0.7427 0.7559 4.2104 4.2117 4.3350 4.3397 5.0646 5.0673 5.9918 6.0142 6.9531 6.9836 7.2965 7.3041 7.3532 7.3680 7.4007 7.4089 k = 0.3191 0.5528-0.0000 ( 8204 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7162 -18.6915 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9068 -16.9067 -16.8998 -16.8989 -11.2629 -11.2617 -11.2204 -11.2200 -0.3886 -0.3856 -0.2806 -0.1839 -0.1500 -0.1046 0.0221 0.1957 0.1988 0.2132 0.2565 0.3034 0.7428 0.7560 4.1816 4.1822 4.3727 4.3766 5.0624 5.0650 5.9865 6.0088 6.9500 6.9805 7.2948 7.3037 7.3512 7.3659 7.3981 7.4063 k = 0.3121 0.5405-0.0000 ( 8194 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0830 -18.7180 -18.7162 -18.6913 -18.6866 -17.3433 -17.3430 -17.2920 -17.2916 -16.9878 -16.9874 -16.9201 -16.9195 -16.9068 -16.9066 -16.8997 -16.8988 -11.2633 -11.2621 -11.2207 -11.2203 -0.3959 -0.3954 -0.2765 -0.1845 -0.1527 -0.1174 0.0447 0.1882 0.1895 0.2214 0.2736 0.3149 0.7429 0.7560 4.1523 4.1527 4.4159 4.4196 5.0585 5.0611 5.9782 6.0002 6.9444 6.9750 7.2919 7.3027 7.3474 7.3619 7.3947 7.4029 k = 0.3050 0.5282-0.0000 ( 8194 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0855 -19.0830 -18.7180 -18.7162 -18.6912 -18.6865 -17.3433 -17.3430 -17.2920 -17.2916 -16.9878 -16.9874 -16.9200 -16.9195 -16.9067 -16.9065 -16.8996 -16.8987 -11.2639 -11.2628 -11.2211 -11.2207 -0.4087 -0.4047 -0.2723 -0.1849 -0.1570 -0.1281 0.0697 0.1791 0.1829 0.2323 0.2915 0.3289 0.7430 0.7559 4.1259 4.1262 4.4618 4.4654 5.0530 5.0556 5.9669 5.9886 6.9363 6.9669 7.2867 7.3002 7.3409 7.3547 7.3916 7.4000 k = 0.2979 0.5159-0.0000 ( 8194 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0854 -19.0830 -18.7180 -18.7162 -18.6910 -18.6864 -17.3432 -17.3429 -17.2919 -17.2915 -16.9878 -16.9873 -16.9199 -16.9194 -16.9066 -16.9065 -16.8994 -16.8986 -11.2648 -11.2636 -11.2216 -11.2213 -0.4233 -0.4163 -0.2685 -0.1848 -0.1635 -0.1353 0.0961 0.1716 0.1766 0.2456 0.3102 0.3445 0.7431 0.7558 4.1035 4.1039 4.5093 4.5129 5.0458 5.0482 5.9532 5.9744 6.9258 6.9564 7.2788 7.2953 7.3312 7.3442 7.3899 7.3987 k = 0.2908 0.5036-0.0000 ( 8182 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0853 -19.0829 -18.7180 -18.7163 -18.6907 -18.6862 -17.3432 -17.3429 -17.2918 -17.2914 -16.9877 -16.9873 -16.9198 -16.9193 -16.9064 -16.9063 -16.8992 -16.8984 -11.2658 -11.2647 -11.2223 -11.2220 -0.4391 -0.4299 -0.2656 -0.1839 -0.1716 -0.1391 0.1227 0.1660 0.1708 0.2608 0.3296 0.3615 0.7432 0.7557 4.0856 4.0862 4.5579 4.5616 5.0367 5.0391 5.9373 5.9581 6.9132 6.9436 7.2678 7.2870 7.3185 7.3305 7.3896 7.3989 k = 0.2837 0.4914-0.0000 ( 8190 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0852 -19.0829 -18.7180 -18.7163 -18.6904 -18.6861 -17.3432 -17.3429 -17.2917 -17.2913 -16.9877 -16.9873 -16.9197 -16.9192 -16.9063 -16.9062 -16.8989 -16.8982 -11.2671 -11.2660 -11.2231 -11.2228 -0.4559 -0.4452 -0.2636 -0.1819 -0.1802 -0.1405 0.1463 0.1652 0.1657 0.2777 0.3497 0.3794 0.7434 0.7555 4.0725 4.0732 4.6075 4.6114 5.0259 5.0282 5.9196 5.9399 6.8986 6.9290 7.2539 7.2752 7.3033 7.3145 7.3906 7.4000 k = 0.2766 0.4791-0.0000 ( 8190 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0851 -19.0828 -18.7180 -18.7164 -18.6901 -18.6859 -17.3431 -17.3429 -17.2915 -17.2911 -16.9876 -16.9872 -16.9195 -16.9190 -16.9062 -16.9061 -16.8987 -16.8979 -11.2686 -11.2675 -11.2241 -11.2237 -0.4734 -0.4620 -0.2625 -0.1885 -0.1787 -0.1402 0.1519 0.1616 0.1839 0.2960 0.3703 0.3980 0.7435 0.7553 4.0643 4.0651 4.6580 4.6619 5.0132 5.0154 5.9006 5.9203 6.8824 6.9127 7.2376 7.2604 7.2864 7.2970 7.3922 7.4018 k = 0.2695 0.4668-0.0000 ( 8188 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0850 -19.0828 -18.7180 -18.7164 -18.6897 -18.6856 -17.3431 -17.3428 -17.2913 -17.2910 -16.9876 -16.9872 -16.9193 -16.9188 -16.9060 -16.9060 -16.8984 -16.8976 -11.2703 -11.2693 -11.2252 -11.2248 -0.4915 -0.4799 -0.2621 -0.1960 -0.1742 -0.1385 0.1504 0.1584 0.2109 0.3152 0.3914 0.4173 0.7437 0.7550 4.0609 4.0620 4.7091 4.7132 4.9987 5.0008 5.8805 5.8996 6.8650 6.8952 7.2195 7.2430 7.2684 7.2785 7.3943 7.4039 k = 0.2624 0.4545-0.0000 ( 8194 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0848 -19.0827 -18.7179 -18.7164 -18.6893 -18.6854 -17.3430 -17.3428 -17.2912 -17.2908 -16.9875 -16.9871 -16.9191 -16.9186 -16.9059 -16.9058 -16.8980 -16.8973 -11.2722 -11.2712 -11.2264 -11.2261 -0.5104 -0.4990 -0.2622 -0.2028 -0.1685 -0.1355 0.1491 0.1563 0.2387 0.3351 0.4129 0.4371 0.7440 0.7547 4.0626 4.0639 4.7607 4.7649 4.9825 4.9844 5.8597 5.8782 6.8466 6.8768 7.1997 7.2236 7.2498 7.2594 7.3965 7.4059 k = 0.2553 0.4422-0.0000 ( 8194 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0846 -19.0826 -18.7179 -18.7164 -18.6888 -18.6851 -17.3429 -17.3427 -17.2910 -17.2906 -16.9874 -16.9870 -16.9188 -16.9184 -16.9057 -16.9057 -16.8976 -16.8970 -11.2744 -11.2734 -11.2278 -11.2275 -0.5300 -0.5192 -0.2623 -0.2086 -0.1616 -0.1312 0.1489 0.1553 0.2664 0.3554 0.4348 0.4573 0.7445 0.7545 4.0691 4.0706 4.8127 4.8169 4.9645 4.9664 5.8384 5.8562 6.8276 6.8576 7.1785 7.2023 7.2308 7.2402 7.3985 7.4078 k = 0.2482 0.4299-0.0000 ( 8204 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0845 -19.0825 -18.7179 -18.7165 -18.6883 -18.6848 -17.3429 -17.3427 -17.2907 -17.2904 -16.9873 -16.9869 -16.9185 -16.9181 -16.9055 -16.9055 -16.8972 -16.8966 -11.2768 -11.2759 -11.2293 -11.2290 -0.5505 -0.5404 -0.2622 -0.2133 -0.1534 -0.1255 0.1498 0.1555 0.2937 0.3758 0.4569 0.4778 0.7450 0.7542 4.0806 4.0823 4.8650 4.8690 4.9449 4.9470 5.8170 5.8341 6.8080 6.8378 7.1556 7.1789 7.2116 7.2209 7.4002 7.4092 k = 0.2411 0.4177-0.0000 ( 8214 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0843 -19.0824 -18.7178 -18.7165 -18.6878 -18.6844 -17.3428 -17.3426 -17.2905 -17.2902 -16.9872 -16.9868 -16.9181 -16.9177 -16.9054 -16.9054 -16.8968 -16.8962 -11.2794 -11.2785 -11.2310 -11.2307 -0.5719 -0.5626 -0.2616 -0.2169 -0.1440 -0.1185 0.1521 0.1571 0.3205 0.3961 0.4792 0.4985 0.7458 0.7541 4.0968 4.0986 4.9155 4.9161 4.9252 4.9317 5.7956 5.8121 6.7879 6.8176 7.1309 7.1532 7.1926 7.2018 7.4013 7.4101 k = 0.2340 0.4054-0.0000 ( 8209 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0430 -36.0430 -19.0840 -19.0823 -18.7177 -18.7165 -18.6873 -18.6841 -17.3427 -17.3425 -17.2902 -17.2899 -16.9870 -16.9867 -16.9177 -16.9174 -16.9052 -16.9052 -16.8963 -16.8958 -11.2822 -11.2814 -11.2328 -11.2325 -0.5944 -0.5859 -0.2604 -0.2195 -0.1333 -0.1100 0.1558 0.1601 0.3465 0.4160 0.5017 0.5194 0.7470 0.7540 4.1176 4.1197 4.9008 4.9011 4.9703 4.9759 5.7745 5.7903 6.7674 6.7969 7.1042 7.1251 7.1738 7.1829 7.4020 7.4104 k = 0.2270 0.3931-0.0000 ( 8209 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0431 -36.0431 -19.0838 -19.0821 -18.7176 -18.7164 -18.6867 -18.6837 -17.3426 -17.3424 -17.2899 -17.2896 -16.9869 -16.9866 -16.9173 -16.9169 -16.9050 -16.9050 -16.8958 -16.8953 -11.2852 -11.2844 -11.2347 -11.2344 -0.6179 -0.6103 -0.2585 -0.2209 -0.1213 -0.1001 0.1611 0.1646 0.3717 0.4354 0.5243 0.5404 0.7484 0.7542 4.1429 4.1452 4.8769 4.8775 5.0226 5.0279 5.7539 5.7689 6.7465 6.7757 7.0753 7.0943 7.1551 7.1643 7.4019 7.4101 k = 0.2199 0.3808-0.0000 ( 8193 PWs) bands (ev): -37.8511 -37.8511 -36.0578 -36.0578 -36.0431 -36.0431 -19.0835 -19.0820 -18.7175 -18.7164 -18.6861 -18.6832 -17.3425 -17.3423 -17.2896 -17.2893 -16.9867 -16.9864 -16.9167 -16.9164 -16.9049 -16.9048 -16.8953 -16.8948 -11.2884 -11.2877 -11.2367 -11.2365 -0.6425 -0.6358 -0.2558 -0.2214 -0.1080 -0.0888 0.1681 0.1708 0.3959 0.4540 0.5468 0.5614 0.7504 0.7546 4.1726 4.1750 4.8519 4.8523 5.0746 5.0799 5.7339 5.7482 6.7249 6.7538 7.0442 7.0611 7.1367 7.1459 7.4011 7.4089 k = 0.2128 0.3685-0.0000 ( 8195 PWs) bands (ev): -37.8512 -37.8512 -36.0578 -36.0578 -36.0432 -36.0432 -19.0833 -19.0818 -18.7174 -18.7164 -18.6855 -18.6828 -17.3424 -17.3423 -17.2892 -17.2890 -16.9865 -16.9862 -16.9162 -16.9160 -16.9047 -16.9047 -16.8947 -16.8943 -11.2918 -11.2911 -11.2389 -11.2387 -0.6681 -0.6622 -0.2524 -0.2209 -0.0934 -0.0759 0.1769 0.1788 0.4189 0.4716 0.5694 0.5824 0.7529 0.7553 4.2064 4.2089 4.8257 4.8261 5.1262 5.1315 5.7147 5.7282 6.7023 6.7307 7.0114 7.0258 7.1184 7.1276 7.4001 7.4080 k = 0.2057 0.3562-0.0000 ( 8195 PWs) bands (ev): -37.8512 -37.8512 -36.0579 -36.0579 -36.0432 -36.0432 -19.0830 -19.0816 -18.7173 -18.7163 -18.6849 -18.6824 -17.3423 -17.3422 -17.2889 -17.2886 -16.9863 -16.9861 -16.9157 -16.9154 -16.9045 -16.9045 -16.8941 -16.8937 -11.2953 -11.2947 -11.2411 -11.2409 -0.6947 -0.6895 -0.2483 -0.2197 -0.0775 -0.0616 0.1876 0.1888 0.4408 0.4881 0.5918 0.6032 0.7561 0.7565 4.2440 4.2467 4.7987 4.7990 5.1772 5.1825 5.6963 5.7091 6.6782 6.7060 6.9776 6.9895 7.1003 7.1094 7.3976 7.4054 k = 0.1986 0.3440-0.0000 ( 8187 PWs) bands (ev): -37.8513 -37.8513 -36.0579 -36.0579 -36.0432 -36.0432 -19.0827 -19.0814 -18.7172 -18.7162 -18.6842 -18.6819 -17.3422 -17.3421 -17.2885 -17.2883 -16.9861 -16.9859 -16.9151 -16.9148 -16.9044 -16.9043 -16.8935 -16.8931 -11.2990 -11.2984 -11.2435 -11.2433 -0.7222 -0.7177 -0.2439 -0.2180 -0.0602 -0.0458 0.2003 0.2007 0.4613 0.5033 0.6142 0.6239 0.7581 0.7601 4.2853 4.2882 4.7710 4.7711 5.2274 5.2325 5.6789 5.6910 6.6520 6.6790 6.9437 6.9531 7.0822 7.0912 7.3947 7.4014 k = 0.1915 0.3317-0.0000 ( 8189 PWs) bands (ev): -37.8513 -37.8513 -36.0579 -36.0579 -36.0433 -36.0433 -19.0824 -19.0812 -18.7170 -18.7162 -18.6836 -18.6814 -17.3421 -17.3420 -17.2881 -17.2879 -16.9859 -16.9857 -16.9145 -16.9142 -16.9042 -16.9042 -16.8929 -16.8926 -11.3029 -11.3023 -11.2459 -11.2457 -0.7505 -0.7466 -0.2392 -0.2159 -0.0417 -0.0285 0.2148 0.2151 0.4804 0.5173 0.6363 0.6443 0.7603 0.7649 4.3300 4.3329 4.7427 4.7427 5.2764 5.2814 5.6625 5.6740 6.6229 6.6487 6.9110 6.9183 7.0640 7.0729 7.3910 7.3978 k = 0.1844 0.3194-0.0000 ( 8191 PWs) bands (ev): -37.8514 -37.8514 -36.0580 -36.0580 -36.0433 -36.0433 -19.0821 -19.0810 -18.7169 -18.7161 -18.6829 -18.6809 -17.3420 -17.3419 -17.2877 -17.2876 -16.9857 -16.9855 -16.9138 -16.9136 -16.9041 -16.9040 -16.8923 -16.8920 -11.3068 -11.3063 -11.2484 -11.2483 -0.7793 -0.7760 -0.2345 -0.2137 -0.0218 -0.0097 0.2311 0.2321 0.4981 0.5299 0.6583 0.6644 0.7632 0.7706 4.3776 4.3806 4.7139 4.7140 5.3241 5.3288 5.6473 5.6582 6.5904 6.6145 6.8807 6.8863 7.0458 7.0545 7.3859 7.3930 k = 0.1773 0.3071-0.0000 ( 8201 PWs) bands (ev): -37.8514 -37.8514 -36.0581 -36.0581 -36.0434 -36.0434 -19.0818 -19.0809 -18.7168 -18.7160 -18.6822 -18.6804 -17.3419 -17.3418 -17.2874 -17.2872 -16.9854 -16.9853 -16.9131 -16.9130 -16.9040 -16.9039 -16.8916 -16.8914 -11.3109 -11.3104 -11.2510 -11.2509 -0.8086 -0.8057 -0.2300 -0.2116 -0.0006 0.0104 0.2496 0.2511 0.5144 0.5412 0.6800 0.6841 0.7667 0.7773 4.4280 4.4310 4.6848 4.6850 5.3700 5.3742 5.6334 5.6438 6.5542 6.5761 6.8538 6.8583 7.0275 7.0359 7.3755 7.3810 k = 0.1702 0.2948-0.0000 ( 8215 PWs) bands (ev): -37.8514 -37.8514 -36.0581 -36.0581 -36.0434 -36.0434 -19.0815 -19.0807 -18.7166 -18.7159 -18.6816 -18.6799 -17.3418 -17.3417 -17.2869 -17.2868 -16.9852 -16.9851 -16.9125 -16.9123 -16.9038 -16.9038 -16.8910 -16.8907 -11.3150 -11.3146 -11.2536 -11.2535 -0.8382 -0.8357 -0.2259 -0.2098 0.0218 0.0319 0.2703 0.2722 0.5293 0.5514 0.7015 0.7033 0.7711 0.7849 4.4805 4.4836 4.6556 4.6559 5.4135 5.4170 5.6213 5.6314 6.5144 6.5339 6.8310 6.8347 7.0089 7.0172 7.3522 7.3540 k = 0.1631 0.2825-0.0000 ( 8221 PWs) bands (ev): -37.8515 -37.8515 -36.0582 -36.0582 -36.0435 -36.0435 -19.0812 -19.0804 -18.7165 -18.7159 -18.6809 -18.6794 -17.3416 -17.3416 -17.2865 -17.2864 -16.9850 -16.9848 -16.9118 -16.9116 -16.9037 -16.9036 -16.8903 -16.8901 -11.3192 -11.3189 -11.2563 -11.2562 -0.8679 -0.8658 -0.2223 -0.2084 0.0453 0.0546 0.2930 0.2953 0.5430 0.5606 0.7219 0.7226 0.7762 0.7936 4.5348 4.5379 4.6264 4.6267 5.4536 5.4559 5.6117 5.6220 6.4718 6.4886 6.8122 6.8156 6.9902 6.9982 7.3248 7.3272 k = 0.1560 0.2702-0.0000 ( 8223 PWs) bands (ev): -37.8515 -37.8515 -36.0582 -36.0582 -36.0435 -36.0435 -19.0809 -19.0802 -18.7163 -18.7158 -18.6802 -18.6788 -17.3415 -17.3415 -17.2861 -17.2860 -16.9847 -16.9846 -16.9110 -16.9109 -16.9035 -16.9035 -16.8897 -16.8895 -11.3235 -11.3232 -11.2590 -11.2589 -0.8976 -0.8958 -0.2194 -0.2075 0.0698 0.0783 0.3177 0.3202 0.5556 0.5691 0.7396 0.7435 0.7820 0.8032 4.5901 4.5933 4.5975 4.5978 5.4880 5.4884 5.6066 5.6178 6.4273 6.4414 6.7974 6.8004 6.9714 6.9791 7.2953 7.2977 k = 0.1489 0.2580-0.0000 ( 8229 PWs) bands (ev): -37.8516 -37.8516 -36.0583 -36.0583 -36.0436 -36.0436 -19.0806 -19.0800 -18.7161 -18.7157 -18.6795 -18.6783 -17.3414 -17.3413 -17.2857 -17.2856 -16.9845 -16.9844 -16.9103 -16.9102 -16.9034 -16.9033 -16.8890 -16.8888 -11.3278 -11.3275 -11.2617 -11.2616 -0.9270 -0.9255 -0.2172 -0.2070 0.0950 0.1027 0.3441 0.3466 0.5674 0.5771 0.7565 0.7640 0.7885 0.8139 4.5685 4.5690 4.6462 4.6491 5.5106 5.5126 5.6101 5.6226 6.3821 6.3938 6.7860 6.7888 6.9524 6.9597 7.2650 7.2678 k = 0.1418 0.2457-0.0000 ( 8231 PWs) bands (ev): -37.8516 -37.8516 -36.0583 -36.0583 -36.0436 -36.0436 -19.0803 -19.0798 -18.7160 -18.7155 -18.6788 -18.6777 -17.3413 -17.3412 -17.2853 -17.2852 -16.9842 -16.9841 -16.9096 -16.9095 -16.9032 -16.9032 -16.8884 -16.8882 -11.3320 -11.3318 -11.2644 -11.2643 -0.9561 -0.9548 -0.2157 -0.2072 0.1207 0.1276 0.3720 0.3745 0.5786 0.5849 0.7723 0.7842 0.7956 0.8256 4.5401 4.5406 4.7017 4.7044 5.5201 5.5236 5.6259 5.6387 6.3374 6.3468 6.7779 6.7803 6.9333 6.9403 7.2348 7.2378 k = 0.1348 0.2334-0.0000 ( 8239 PWs) bands (ev): -37.8517 -37.8517 -36.0584 -36.0584 -36.0437 -36.0437 -19.0800 -19.0795 -18.7158 -18.7154 -18.6781 -18.6772 -17.3412 -17.3411 -17.2849 -17.2848 -16.9840 -16.9839 -16.9089 -16.9088 -16.9031 -16.9031 -16.8877 -16.8876 -11.3363 -11.3360 -11.2670 -11.2670 -0.9847 -0.9836 -0.2150 -0.2078 0.1464 0.1525 0.4011 0.4034 0.5897 0.5930 0.7870 0.8031 0.8042 0.8383 4.5122 4.5127 4.7557 4.7582 5.5204 5.5245 5.6505 5.6628 6.2943 6.3017 6.7726 6.7746 6.9141 6.9206 7.2052 7.2084 k = 0.1277 0.2211-0.0000 ( 8235 PWs) bands (ev): -37.8517 -37.8517 -36.0584 -36.0584 -36.0437 -36.0437 -19.0797 -19.0793 -18.7157 -18.7153 -18.6774 -18.6766 -17.3411 -17.3410 -17.2845 -17.2844 -16.9837 -16.9837 -16.9082 -16.9081 -16.9029 -16.9029 -16.8870 -16.8869 -11.3405 -11.3403 -11.2697 -11.2696 -1.0126 -1.0117 -0.2149 -0.2089 0.1718 0.1771 0.4311 0.4333 0.6009 0.6017 0.8005 0.8112 0.8237 0.8519 4.4849 4.4854 4.8068 4.8090 5.5171 5.5218 5.6783 5.6899 6.2538 6.2595 6.7698 6.7713 6.8947 6.9008 7.1767 7.1801 k = 0.1206 0.2088-0.0000 ( 8235 PWs) bands (ev): -37.8518 -37.8518 -36.0585 -36.0585 -36.0438 -36.0438 -19.0795 -19.0791 -18.7155 -18.7152 -18.6768 -18.6761 -17.3410 -17.3409 -17.2841 -17.2840 -16.9835 -16.9834 -16.9075 -16.9075 -16.9028 -16.9027 -16.8864 -16.8863 -11.3446 -11.3444 -11.2723 -11.2722 -1.0397 -1.0390 -0.2154 -0.2105 0.1964 0.2009 0.4617 0.4636 0.6112 0.6126 0.8130 0.8195 0.8430 0.8664 4.4582 4.4587 4.8532 4.8550 5.5141 5.5193 5.7061 5.7170 6.2166 6.2208 6.7694 6.7704 6.8753 6.8809 7.1495 7.1531 k = 0.1135 0.1965-0.0000 ( 8239 PWs) bands (ev): -37.8518 -37.8518 -36.0585 -36.0585 -36.0438 -36.0438 -19.0792 -19.0789 -18.7154 -18.7151 -18.6761 -18.6755 -17.3409 -17.3408 -17.2837 -17.2836 -16.9833 -16.9832 -16.9069 -16.9069 -16.9025 -16.9025 -16.8858 -16.8857 -11.3486 -11.3485 -11.2748 -11.2748 -1.0659 -1.0653 -0.2164 -0.2124 0.2198 0.2235 0.4926 0.4941 0.6219 0.6250 0.8247 0.8281 0.8620 0.8814 4.4323 4.4327 4.8929 4.8944 5.5140 5.5199 5.7324 5.7428 6.1833 6.1863 6.7713 6.7717 6.8556 6.8608 7.1240 7.1277 k = 0.1064 0.1843-0.0000 ( 8243 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0789 -19.0787 -18.7152 -18.7150 -18.6755 -18.6750 -17.3408 -17.3407 -17.2833 -17.2833 -16.9830 -16.9830 -16.9063 -16.9063 -16.9023 -16.9023 -16.8851 -16.8851 -11.3525 -11.3524 -11.2773 -11.2772 -1.0910 -1.0906 -0.2178 -0.2146 0.2416 0.2445 0.5234 0.5246 0.6340 0.6385 0.8358 0.8369 0.8807 0.8968 4.4072 4.4076 4.9239 4.9249 5.5192 5.5257 5.7568 5.7667 6.1542 6.1563 6.7751 6.7752 6.8358 6.8404 7.1003 7.1041 k = 0.0993 0.1720-0.0000 ( 8239 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0787 -19.0785 -18.7151 -18.7149 -18.6749 -18.6745 -17.3407 -17.3407 -17.2829 -17.2829 -16.9828 -16.9828 -16.9058 -16.9058 -16.9020 -16.9020 -16.8845 -16.8845 -11.3563 -11.3562 -11.2797 -11.2796 -1.1151 -1.1147 -0.2196 -0.2171 0.2613 0.2635 0.5537 0.5545 0.6476 0.6531 0.8460 0.8464 0.8992 0.9125 4.3830 4.3834 4.9442 4.9449 5.5314 5.5385 5.7789 5.7884 6.1294 6.1308 6.7806 6.7813 6.8159 6.8199 7.0786 7.0824 k = 0.0922 0.1597-0.0000 ( 8247 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0784 -19.0783 -18.7150 -18.7148 -18.6743 -18.6740 -17.3406 -17.3406 -17.2826 -17.2826 -16.9826 -16.9826 -16.9054 -16.9054 -16.9017 -16.9017 -16.8840 -16.8839 -11.3599 -11.3598 -11.2819 -11.2819 -1.1378 -1.1375 -0.2216 -0.2197 0.2788 0.2804 0.5832 0.5836 0.6626 0.6686 0.8553 0.8568 0.9174 0.9283 4.3599 4.3603 4.9532 4.9536 5.5516 5.5589 5.7987 5.8078 6.1088 6.1097 6.7881 6.7893 6.7957 6.7992 7.0589 7.0626 k = 0.0851 0.1474-0.0000 ( 8253 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0782 -19.0781 -18.7149 -18.7147 -18.6738 -18.6735 -17.3405 -17.3405 -17.2823 -17.2822 -16.9824 -16.9824 -16.9050 -16.9050 -16.9014 -16.9013 -16.8835 -16.8834 -11.3633 -11.3633 -11.2841 -11.2841 -1.1593 -1.1590 -0.2239 -0.2224 0.2938 0.2950 0.6115 0.6115 0.6787 0.6849 0.8650 0.8671 0.9354 0.9442 4.3379 4.3382 4.9514 4.9516 5.5792 5.5865 5.8163 5.8249 6.0920 6.0926 6.7754 6.7783 6.7976 6.7993 7.0412 7.0449 k = 0.0780 0.1351-0.0000 ( 8253 PWs) bands (ev): -37.8521 -37.8521 -36.0588 -36.0588 -36.0441 -36.0441 -19.0780 -19.0779 -18.7147 -18.7147 -18.6732 -18.6730 -17.3404 -17.3404 -17.2819 -17.2819 -16.9822 -16.9822 -16.9047 -16.9047 -16.9010 -16.9010 -16.8829 -16.8829 -11.3666 -11.3665 -11.2861 -11.2861 -1.1793 -1.1791 -0.2262 -0.2251 0.3066 0.3073 0.6380 0.6381 0.6955 0.7016 0.8752 0.8775 0.9530 0.9599 4.3171 4.3173 4.9404 4.9406 5.6127 5.6198 5.8318 5.8399 6.0786 6.0789 6.7549 6.7574 6.8091 6.8111 7.0256 7.0291 k = 0.0709 0.1228-0.0000 ( 8249 PWs) bands (ev): -37.8521 -37.8521 -36.0588 -36.0588 -36.0441 -36.0441 -19.0778 -19.0777 -18.7146 -18.7146 -18.6727 -18.6726 -17.3404 -17.3404 -17.2816 -17.2816 -16.9820 -16.9820 -16.9045 -16.9045 -16.9006 -16.9005 -16.8825 -16.8824 -11.3696 -11.3696 -11.2880 -11.2880 -1.1978 -1.1977 -0.2286 -0.2278 0.3171 0.3175 0.6626 0.6629 0.7125 0.7180 0.8859 0.8881 0.9702 0.9756 4.2975 4.2978 4.9227 4.9228 5.6500 5.6567 5.8454 5.8528 6.0680 6.0682 6.7346 6.7365 6.8223 6.8246 7.0118 7.0152 k = 0.0638 0.1106-0.0000 ( 8243 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0441 -36.0441 -19.0776 -19.0776 -18.7145 -18.7145 -18.6723 -18.6722 -17.3403 -17.3403 -17.2814 -17.2814 -16.9819 -16.9818 -16.9043 -16.9043 -16.9002 -16.9001 -16.8820 -16.8820 -11.3724 -11.3724 -11.2898 -11.2898 -1.2148 -1.2147 -0.2310 -0.2304 0.3256 0.3259 0.6851 0.6856 0.7290 0.7338 0.8971 0.8992 0.9869 0.9909 4.2794 4.2796 4.9004 4.9005 5.6890 5.6953 5.8572 5.8641 6.0598 6.0600 6.7144 6.7159 6.8373 6.8397 6.9999 7.0031 k = 0.0567 0.0983-0.0000 ( 8249 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0442 -36.0442 -19.0775 -19.0774 -18.7145 -18.7144 -18.6719 -18.6718 -17.3402 -17.3402 -17.2811 -17.2811 -16.9817 -16.9817 -16.9042 -16.9042 -16.8998 -16.8998 -16.8816 -16.8816 -11.3749 -11.3749 -11.2914 -11.2914 -1.2301 -1.2300 -0.2333 -0.2329 0.3324 0.3325 0.7054 0.7059 0.7443 0.7483 0.9088 0.9105 1.0028 1.0057 4.2628 4.2629 4.8756 4.8757 5.7278 5.7335 5.8676 5.8737 6.0534 6.0535 6.6948 6.6959 6.8535 6.8559 6.9897 6.9925 k = 0.0496 0.0860-0.0000 ( 8261 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0773 -19.0773 -18.7144 -18.7144 -18.6715 -18.6715 -17.3402 -17.3402 -17.2809 -17.2809 -16.9816 -16.9816 -16.9041 -16.9041 -16.8994 -16.8994 -16.8813 -16.8813 -11.3772 -11.3772 -11.2928 -11.2928 -1.2438 -1.2437 -0.2354 -0.2351 0.3377 0.3378 0.7234 0.7239 0.7581 0.7612 0.9208 0.9221 1.0178 1.0197 4.2478 4.2479 4.8501 4.8502 5.7649 5.7700 5.8765 5.8818 6.0485 6.0485 6.6761 6.6768 6.8707 6.8730 6.9809 6.9835 k = 0.0426 0.0737-0.0000 ( 8263 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0772 -19.0772 -18.7143 -18.7143 -18.6712 -18.6712 -17.3402 -17.3402 -17.2807 -17.2807 -16.9815 -16.9815 -16.9040 -16.9040 -16.8991 -16.8991 -16.8810 -16.8810 -11.3792 -11.3792 -11.2941 -11.2941 -1.2557 -1.2557 -0.2374 -0.2372 0.3418 0.3418 0.7389 0.7394 0.7700 0.7721 0.9327 0.9336 1.0315 1.0328 4.2345 4.2346 4.8254 4.8255 5.7990 5.8034 5.8842 5.8888 6.0446 6.0447 6.6587 6.6592 6.8881 6.8903 6.9736 6.9759 k = 0.0355 0.0614-0.0000 ( 8265 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0442 -36.0442 -19.0771 -19.0771 -18.7143 -18.7143 -18.6710 -18.6709 -17.3401 -17.3401 -17.2806 -17.2806 -16.9814 -16.9814 -16.9039 -16.9039 -16.8988 -16.8988 -16.8807 -16.8807 -11.3809 -11.3809 -11.2951 -11.2951 -1.2659 -1.2659 -0.2391 -0.2390 0.3449 0.3449 0.7521 0.7524 0.7797 0.7811 0.9440 0.9446 1.0438 1.0445 4.2231 4.2231 4.8027 4.8027 5.8292 5.8328 5.8909 5.8946 6.0416 6.0417 6.6430 6.6433 6.9052 6.9071 6.9676 6.9695 k = 0.0284 0.0491-0.0000 ( 8273 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0770 -19.0770 -18.7143 -18.7143 -18.6707 -18.6707 -17.3401 -17.3401 -17.2804 -17.2804 -16.9813 -16.9813 -16.9039 -16.9039 -16.8985 -16.8985 -16.8805 -16.8805 -11.3823 -11.3823 -11.2960 -11.2960 -1.2742 -1.2742 -0.2406 -0.2405 0.3472 0.3472 0.7628 0.7631 0.7874 0.7882 0.9542 0.9546 1.0543 1.0547 4.2135 4.2135 4.7828 4.7828 5.8546 5.8574 5.8966 5.8994 6.0393 6.0393 6.6295 6.6296 6.9209 6.9225 6.9627 6.9643 k = 0.0213 0.0369-0.0000 ( 8293 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0770 -19.0770 -18.7142 -18.7142 -18.6706 -18.6706 -17.3401 -17.3401 -17.2803 -17.2803 -16.9813 -16.9813 -16.9038 -16.9038 -16.8983 -16.8983 -16.8803 -16.8803 -11.3835 -11.3835 -11.2967 -11.2967 -1.2808 -1.2808 -0.2418 -0.2417 0.3489 0.3489 0.7712 0.7713 0.7931 0.7935 0.9628 0.9630 1.0627 1.0629 4.2060 4.2060 4.7665 4.7666 5.8745 5.8763 5.9017 5.9036 6.0375 6.0375 6.6185 6.6186 6.9344 6.9356 6.9592 6.9603 k = 0.0142 0.0246-0.0000 ( 8293 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2803 -17.2803 -16.9812 -16.9812 -16.9038 -16.9038 -16.8982 -16.8982 -16.8802 -16.8802 -11.3843 -11.3843 -11.2972 -11.2972 -1.2855 -1.2855 -0.2426 -0.2426 0.3500 0.3500 0.7772 0.7772 0.7970 0.7971 0.9693 0.9693 1.0689 1.0690 4.2006 4.2006 4.7545 4.7545 5.8880 5.8888 5.9067 5.9075 6.0362 6.0362 6.6104 6.6105 6.9446 6.9453 6.9570 6.9577 k = 0.0071 0.0123-0.0000 ( 8293 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8981 -16.8981 -16.8802 -16.8802 -11.3847 -11.3847 -11.2975 -11.2975 -1.2883 -1.2883 -0.2431 -0.2431 0.3506 0.3506 0.7807 0.7807 0.7993 0.7993 0.9733 0.9733 1.0727 1.0727 4.1973 4.1973 4.7472 4.7472 5.8950 5.8951 5.9110 5.9111 6.0354 6.0354 6.6055 6.6055 6.9503 6.9504 6.9568 6.9570 k = 0.0000 0.0000 0.0000 ( 8329 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8981 -16.8981 -16.8802 -16.8802 -11.3849 -11.3849 -11.2976 -11.2976 -1.2892 -1.2892 -0.2433 -0.2433 0.3508 0.3508 0.7819 0.7819 0.8000 0.8000 0.9747 0.9747 1.0740 1.0740 4.1962 4.1962 4.7447 4.7447 5.8969 5.8969 5.9127 5.9127 6.0351 6.0351 6.6038 6.6038 6.9514 6.9514 6.9574 6.9574 k = 0.0000 0.0000 0.0000 ( 8329 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8981 -16.8981 -16.8802 -16.8802 -11.3849 -11.3849 -11.2976 -11.2976 -1.2892 -1.2892 -0.2433 -0.2433 0.3508 0.3508 0.7819 0.7819 0.8000 0.8000 0.9747 0.9747 1.0740 1.0740 4.1962 4.1962 4.7447 4.7447 5.8969 5.8969 5.9127 5.9127 6.0351 6.0351 6.6038 6.6038 6.9514 6.9514 6.9574 6.9574 k = 0.0000 0.0000 0.0136 ( 8318 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8981 -16.8981 -16.8801 -16.8801 -11.3849 -11.3849 -11.2977 -11.2977 -1.2886 -1.2886 -0.2464 -0.2464 0.3532 0.3532 0.7815 0.7815 0.8014 0.8014 0.9747 0.9747 1.0739 1.0739 4.1852 4.1852 4.7571 4.7571 5.8972 5.8972 5.9130 5.9130 6.0364 6.0364 6.6002 6.6002 6.9505 6.9505 6.9561 6.9567 k = 0.0000 0.0000 0.0272 ( 8288 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8980 -16.8980 -16.8801 -16.8801 -11.3849 -11.3849 -11.2977 -11.2977 -1.2869 -1.2869 -0.2553 -0.2553 0.3600 0.3600 0.7806 0.7806 0.8054 0.8054 0.9748 0.9748 1.0739 1.0739 4.1549 4.1549 4.7915 4.7915 5.8979 5.8979 5.9138 5.9138 6.0403 6.0403 6.5895 6.5895 6.9479 6.9479 6.9530 6.9541 k = 0.0000 0.0000 0.0409 ( 8288 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3401 -17.3401 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8980 -16.8980 -16.8801 -16.8801 -11.3848 -11.3848 -11.2977 -11.2977 -1.2842 -1.2842 -0.2693 -0.2693 0.3705 0.3705 0.7796 0.7796 0.8116 0.8116 0.9749 0.9749 1.0737 1.0737 4.1118 4.1118 4.8415 4.8415 5.8990 5.8990 5.9150 5.9151 6.0466 6.0466 6.5722 6.5722 6.9437 6.9437 6.9481 6.9497 k = 0.0000 0.0000 0.0545 ( 8270 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3400 -17.3400 -17.2802 -17.2802 -16.9812 -16.9812 -16.9038 -16.9038 -16.8980 -16.8980 -16.8801 -16.8801 -11.3848 -11.3848 -11.2978 -11.2978 -1.2804 -1.2804 -0.2872 -0.2872 0.3835 0.3835 0.7786 0.7786 0.8195 0.8195 0.9751 0.9751 1.0736 1.0736 4.0617 4.0617 4.9012 4.9012 5.9005 5.9005 5.9167 5.9168 6.0552 6.0552 6.5489 6.5489 6.9383 6.9383 6.9420 6.9440 k = 0.0000 0.0000 0.0681 ( 8270 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3400 -17.3400 -17.2802 -17.2802 -16.9811 -16.9811 -16.9038 -16.9038 -16.8980 -16.8980 -16.8801 -16.8801 -11.3847 -11.3847 -11.2978 -11.2978 -1.2758 -1.2758 -0.3077 -0.3077 0.3978 0.3978 0.7778 0.7778 0.8290 0.8290 0.9753 0.9753 1.0733 1.0733 4.0089 4.0089 4.9661 4.9661 5.9023 5.9023 5.9187 5.9189 6.0658 6.0658 6.5206 6.5206 6.9319 6.9319 6.9349 6.9371 k = 0.0000 0.0000 0.0817 ( 8240 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7142 -18.7142 -18.6703 -18.6703 -17.3400 -17.3400 -17.2802 -17.2802 -16.9811 -16.9811 -16.9038 -16.9038 -16.8980 -16.8980 -16.8801 -16.8801 -11.3846 -11.3846 -11.2979 -11.2979 -1.2706 -1.2706 -0.3297 -0.3297 0.4124 0.4124 0.7772 0.7772 0.8398 0.8398 0.9755 0.9755 1.0731 1.0731 3.9564 3.9564 5.0330 5.0330 5.9044 5.9044 5.9210 5.9212 6.0782 6.0782 6.4883 6.4883 6.9250 6.9250 6.9273 6.9296 k = 0.0000 0.0000 0.0954 ( 8264 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3400 -17.3400 -17.2802 -17.2802 -16.9811 -16.9811 -16.9039 -16.9039 -16.8980 -16.8980 -16.8801 -16.8801 -11.3846 -11.3846 -11.2980 -11.2980 -1.2650 -1.2650 -0.3519 -0.3519 0.4264 0.4264 0.7766 0.7766 0.8514 0.8514 0.9757 0.9757 1.0728 1.0728 3.9064 3.9064 5.0995 5.0995 5.9065 5.9065 5.9235 5.9236 6.0918 6.0918 6.4531 6.4531 6.9178 6.9178 6.9196 6.9218 k = 0.0000 0.0000 0.1090 ( 8258 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3399 -17.3399 -17.2802 -17.2802 -16.9811 -16.9811 -16.9039 -16.9039 -16.8980 -16.8980 -16.8801 -16.8801 -11.3845 -11.3845 -11.2981 -11.2981 -1.2592 -1.2592 -0.3734 -0.3734 0.4392 0.4392 0.7762 0.7762 0.8634 0.8634 0.9760 0.9760 1.0726 1.0726 3.8603 3.8603 5.1637 5.1637 5.9087 5.9087 5.9259 5.9261 6.1065 6.1065 6.4164 6.4164 6.9109 6.9109 6.9121 6.9142 k = 0.0000 0.0000 0.1226 ( 8246 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7142 -18.7142 -18.6703 -18.6703 -17.3399 -17.3399 -17.2802 -17.2802 -16.9810 -16.9810 -16.9039 -16.9039 -16.8980 -16.8980 -16.8800 -16.8800 -11.3844 -11.3844 -11.2981 -11.2981 -1.2535 -1.2535 -0.3932 -0.3932 0.4502 0.4502 0.7758 0.7758 0.8752 0.8752 0.9762 0.9762 1.0723 1.0723 3.8193 3.8193 5.2236 5.2236 5.9108 5.9108 5.9283 5.9284 6.1215 6.1215 6.3795 6.3795 6.9044 6.9044 6.9052 6.9071 k = 0.0000 0.0000 0.1362 ( 8264 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3399 -17.3399 -17.2803 -17.2803 -16.9811 -16.9811 -16.9039 -16.9039 -16.8980 -16.8980 -16.8801 -16.8801 -11.3843 -11.3843 -11.2982 -11.2982 -1.2483 -1.2483 -0.4106 -0.4106 0.4594 0.4594 0.7755 0.7755 0.8861 0.8861 0.9764 0.9764 1.0721 1.0721 3.7844 3.7844 5.2772 5.2772 5.9127 5.9127 5.9304 5.9306 6.1362 6.1362 6.3441 6.3441 6.8987 6.8987 6.8992 6.9008 k = 0.0000 0.0000 0.1498 ( 8258 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6703 -18.6703 -17.3399 -17.3399 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8980 -16.8980 -16.8800 -16.8800 -11.3843 -11.3843 -11.2983 -11.2983 -1.2439 -1.2439 -0.4249 -0.4249 0.4665 0.4665 0.7753 0.7753 0.8953 0.8953 0.9765 0.9765 1.0719 1.0719 3.7565 3.7565 5.3224 5.3224 5.9144 5.9144 5.9322 5.9323 6.1502 6.1502 6.3118 6.3118 6.8941 6.8941 6.8943 6.8956 k = 0.0000 0.0000 0.1635 ( 8240 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7142 -18.7142 -18.6703 -18.6703 -17.3399 -17.3399 -17.2802 -17.2802 -16.9810 -16.9810 -16.9039 -16.9039 -16.8980 -16.8980 -16.8800 -16.8800 -11.3842 -11.3842 -11.2983 -11.2983 -1.2405 -1.2405 -0.4355 -0.4355 0.4716 0.4716 0.7751 0.7751 0.9025 0.9025 0.9767 0.9767 1.0718 1.0718 3.7361 3.7361 5.3569 5.3569 5.9156 5.9156 5.9336 5.9337 6.1626 6.1626 6.2847 6.2847 6.8906 6.8906 6.8907 6.8916 k = 0.0000 0.0000 0.1771 ( 8234 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7141 -18.7141 -18.6703 -18.6703 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8980 -16.8980 -16.8800 -16.8800 -11.3842 -11.3842 -11.2983 -11.2983 -1.2384 -1.2384 -0.4420 -0.4420 0.4747 0.4747 0.7750 0.7750 0.9069 0.9069 0.9767 0.9767 1.0717 1.0717 3.7236 3.7236 5.3787 5.3787 5.9163 5.9163 5.9345 5.9345 6.1722 6.1722 6.2657 6.2657 6.8884 6.8884 6.8886 6.8890 k = 0.0000 0.0000 0.1907 ( 8234 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7141 -18.7141 -18.6703 -18.6703 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8980 -16.8980 -16.8800 -16.8800 -11.3842 -11.3842 -11.2983 -11.2983 -1.2376 -1.2376 -0.4442 -0.4442 0.4757 0.4757 0.7750 0.7750 0.9084 0.9084 0.9768 0.9768 1.0717 1.0717 3.7195 3.7195 5.3862 5.3862 5.9166 5.9166 5.9348 5.9348 6.1761 6.1761 6.2586 6.2586 6.8877 6.8877 6.8880 6.8880 k = 0.0000 0.0000 0.1907 ( 8234 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7141 -18.7141 -18.6703 -18.6703 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8980 -16.8980 -16.8800 -16.8800 -11.3842 -11.3842 -11.2983 -11.2983 -1.2376 -1.2376 -0.4442 -0.4442 0.4757 0.4757 0.7750 0.7750 0.9084 0.9084 0.9768 0.9768 1.0717 1.0717 3.7195 3.7195 5.3862 5.3862 5.9166 5.9166 5.9348 5.9348 6.1761 6.1761 6.2586 6.2586 6.8877 6.8877 6.8880 6.8880 k = 0.0122 0.0070 0.1907 ( 8230 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7141 -18.7141 -18.6703 -18.6703 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8981 -16.8981 -16.8801 -16.8801 -11.3840 -11.3840 -11.2982 -11.2982 -1.2368 -1.2368 -0.4437 -0.4437 0.4749 0.4749 0.7739 0.7739 0.9077 0.9077 0.9752 0.9752 1.0705 1.0705 3.7222 3.7222 5.3874 5.3874 5.9125 5.9125 5.9315 5.9315 6.1750 6.1750 6.2629 6.2629 6.8887 6.8887 6.8895 6.8895 k = 0.0244 0.0141 0.1907 ( 8230 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8982 -16.8982 -16.8801 -16.8801 -11.3836 -11.3836 -11.2979 -11.2979 -1.2342 -1.2342 -0.4421 -0.4421 0.4726 0.4726 0.7708 0.7708 0.9055 0.9055 0.9707 0.9707 1.0669 1.0669 3.7302 3.7302 5.3910 5.3910 5.8968 5.8968 5.9260 5.9260 6.1720 6.1720 6.2749 6.2749 6.8914 6.8914 6.8940 6.8940 k = 0.0366 0.0211 0.1907 ( 8230 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6705 -18.6705 -17.3399 -17.3399 -17.2804 -17.2804 -16.9811 -16.9811 -16.9039 -16.9039 -16.8983 -16.8983 -16.8802 -16.8802 -11.3828 -11.3828 -11.2974 -11.2974 -1.2299 -1.2299 -0.4394 -0.4394 0.4686 0.4686 0.7655 0.7655 0.9015 0.9015 0.9638 0.9638 1.0611 1.0611 3.7435 3.7435 5.3969 5.3969 5.8684 5.8684 5.9212 5.9212 6.1673 6.1673 6.2927 6.2927 6.8960 6.8960 6.9012 6.9012 k = 0.0488 0.0282 0.1907 ( 8234 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0770 -19.0770 -18.7142 -18.7142 -18.6707 -18.6707 -17.3399 -17.3399 -17.2805 -17.2805 -16.9812 -16.9812 -16.9040 -16.9040 -16.8985 -16.8985 -16.8804 -16.8804 -11.3817 -11.3817 -11.2967 -11.2967 -1.2239 -1.2239 -0.4356 -0.4356 0.4629 0.4629 0.7580 0.7580 0.8952 0.8952 0.9553 0.9553 1.0531 1.0531 3.7618 3.7618 5.4049 5.4049 5.8304 5.8304 5.9161 5.9161 6.1615 6.1615 6.3141 6.3141 6.9023 6.9023 6.9109 6.9109 k = 0.0610 0.0352 0.1907 ( 8242 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0442 -36.0442 -19.0771 -19.0771 -18.7143 -18.7143 -18.6709 -18.6709 -17.3400 -17.3400 -17.2806 -17.2806 -16.9813 -16.9813 -16.9040 -16.9040 -16.8987 -16.8987 -16.8806 -16.8806 -11.3803 -11.3803 -11.2959 -11.2959 -1.2162 -1.2162 -0.4309 -0.4309 0.4554 0.4554 0.7483 0.7483 0.8858 0.8858 0.9464 0.9464 1.0432 1.0432 3.7847 3.7847 5.4147 5.4147 5.7852 5.7852 5.9102 5.9102 6.1550 6.1550 6.3377 6.3377 6.9104 6.9104 6.9225 6.9225 k = 0.0732 0.0422 0.1907 ( 8244 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0772 -19.0772 -18.7143 -18.7143 -18.6712 -18.6712 -17.3400 -17.3400 -17.2808 -17.2808 -16.9814 -16.9814 -16.9041 -16.9041 -16.8990 -16.8990 -16.8809 -16.8809 -11.3786 -11.3786 -11.2948 -11.2948 -1.2069 -1.2069 -0.4251 -0.4251 0.4459 0.4459 0.7364 0.7364 0.8730 0.8730 0.9380 0.9380 1.0317 1.0317 3.8119 3.8119 5.4261 5.4261 5.7341 5.7341 5.9032 5.9032 6.1485 6.1485 6.3623 6.3623 6.9204 6.9204 6.9356 6.9356 k = 0.0854 0.0493 0.1907 ( 8268 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0773 -19.0773 -18.7144 -18.7144 -18.6715 -18.6715 -17.3401 -17.3401 -17.2810 -17.2810 -16.9815 -16.9815 -16.9042 -16.9042 -16.8994 -16.8994 -16.8812 -16.8812 -11.3767 -11.3767 -11.2935 -11.2935 -1.1959 -1.1959 -0.4184 -0.4184 0.4343 0.4343 0.7222 0.7222 0.8568 0.8568 0.9307 0.9307 1.0187 1.0187 3.8430 3.8430 5.4386 5.4386 5.6779 5.6779 5.8953 5.8953 6.1427 6.1427 6.3870 6.3870 6.9319 6.9319 6.9496 6.9496 k = 0.0976 0.0563 0.1907 ( 8268 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0442 -36.0442 -19.0775 -19.0775 -18.7145 -18.7145 -18.6718 -18.6718 -17.3401 -17.3401 -17.2812 -17.2812 -16.9816 -16.9816 -16.9043 -16.9043 -16.8998 -16.8998 -16.8816 -16.8816 -11.3744 -11.3744 -11.2921 -11.2921 -1.1834 -1.1834 -0.4108 -0.4108 0.4202 0.4202 0.7058 0.7058 0.8379 0.8379 0.9243 0.9243 1.0047 1.0047 3.8775 3.8775 5.4518 5.4518 5.6176 5.6176 5.8865 5.8865 6.1382 6.1382 6.4113 6.4113 6.9453 6.9453 6.9641 6.9641 k = 0.1098 0.0634 0.1907 ( 8276 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0441 -36.0441 -19.0776 -19.0776 -18.7146 -18.7146 -18.6722 -18.6722 -17.3402 -17.3402 -17.2815 -17.2815 -16.9818 -16.9818 -16.9045 -16.9045 -16.9001 -16.9001 -16.8820 -16.8820 -11.3719 -11.3719 -11.2905 -11.2905 -1.1693 -1.1693 -0.4023 -0.4023 0.4035 0.4035 0.6870 0.6870 0.8174 0.8174 0.9186 0.9186 0.9898 0.9898 3.9150 3.9150 5.4649 5.4649 5.5537 5.5537 5.8768 5.8768 6.1357 6.1357 6.4346 6.4346 6.9604 6.9604 6.9785 6.9785 k = 0.1220 0.0704 0.1907 ( 8272 PWs) bands (ev): -37.8521 -37.8521 -36.0588 -36.0588 -36.0441 -36.0441 -19.0778 -19.0778 -18.7146 -18.7146 -18.6727 -18.6727 -17.3403 -17.3403 -17.2817 -17.2817 -16.9819 -16.9819 -16.9046 -16.9046 -16.9005 -16.9005 -16.8824 -16.8824 -11.3692 -11.3692 -11.2888 -11.2888 -1.1537 -1.1537 -0.3931 -0.3931 0.3842 0.3842 0.6661 0.6661 0.7962 0.7962 0.9133 0.9133 0.9744 0.9744 3.9551 3.9551 5.4732 5.4732 5.4912 5.4912 5.8663 5.8663 6.1358 6.1358 6.4568 6.4568 6.9771 6.9771 6.9925 6.9925 k = 0.1341 0.0774 0.1907 ( 8258 PWs) bands (ev): -37.8521 -37.8521 -36.0588 -36.0588 -36.0441 -36.0441 -19.0779 -19.0779 -18.7147 -18.7147 -18.6731 -18.6731 -17.3403 -17.3403 -17.2820 -17.2820 -16.9821 -16.9821 -16.9049 -16.9049 -16.9009 -16.9009 -16.8829 -16.8829 -11.3662 -11.3662 -11.2869 -11.2869 -1.1366 -1.1366 -0.3831 -0.3831 0.3619 0.3619 0.6430 0.6430 0.7751 0.7751 0.9081 0.9081 0.9586 0.9586 3.9972 3.9972 5.4143 5.4143 5.4924 5.4924 5.8552 5.8552 6.1391 6.1391 6.4774 6.4774 6.9955 6.9955 7.0058 7.0058 k = 0.1463 0.0845 0.1907 ( 8256 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0781 -19.0781 -18.7148 -18.7148 -18.6736 -18.6736 -17.3404 -17.3404 -17.2823 -17.2823 -16.9823 -16.9823 -16.9052 -16.9052 -16.9013 -16.9013 -16.8834 -16.8834 -11.3630 -11.3630 -11.2849 -11.2849 -1.1182 -1.1182 -0.3725 -0.3725 0.3368 0.3368 0.6179 0.6179 0.7546 0.7546 0.9030 0.9030 0.9428 0.9428 4.0409 4.0409 5.3422 5.3422 5.5032 5.5032 5.8434 5.8434 6.1458 6.1458 6.4963 6.4963 7.0148 7.0148 7.0186 7.0186 k = 0.1585 0.0915 0.1907 ( 8242 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0783 -19.0783 -18.7149 -18.7149 -18.6741 -18.6741 -17.3404 -17.3404 -17.2826 -17.2826 -16.9825 -16.9825 -16.9055 -16.9055 -16.9016 -16.9016 -16.8839 -16.8839 -11.3597 -11.3597 -11.2827 -11.2827 -1.0985 -1.0985 -0.3614 -0.3614 0.3089 0.3089 0.5911 0.5911 0.7351 0.7351 0.8978 0.8978 0.9271 0.9271 4.0859 4.0859 5.2679 5.2679 5.5130 5.5130 5.8312 5.8312 6.1562 6.1562 6.5135 6.5135 7.0282 7.0282 7.0378 7.0378 k = 0.1707 0.0986 0.1907 ( 8240 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0785 -19.0785 -18.7150 -18.7150 -18.6746 -18.6746 -17.3405 -17.3405 -17.2829 -17.2829 -16.9827 -16.9827 -16.9059 -16.9059 -16.9019 -16.9019 -16.8844 -16.8844 -11.3561 -11.3561 -11.2804 -11.2804 -1.0775 -1.0775 -0.3499 -0.3499 0.2785 0.2785 0.5627 0.5627 0.7169 0.7169 0.8925 0.8925 0.9116 0.9116 4.1317 4.1317 5.1921 5.1921 5.5213 5.5213 5.8186 5.8186 6.1703 6.1703 6.5288 6.5288 7.0378 7.0378 7.0607 7.0607 k = 0.1829 0.1056 0.1907 ( 8236 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0788 -19.0788 -18.7151 -18.7151 -18.6752 -18.6752 -17.3406 -17.3406 -17.2833 -17.2833 -16.9829 -16.9829 -16.9065 -16.9065 -16.9022 -16.9022 -16.8850 -16.8850 -11.3524 -11.3524 -11.2781 -11.2781 -1.0554 -1.0554 -0.3380 -0.3380 0.2459 0.2459 0.5330 0.5330 0.7001 0.7001 0.8866 0.8866 0.8969 0.8969 4.1780 4.1780 5.1151 5.1151 5.5280 5.5280 5.8056 5.8056 6.1878 6.1878 6.5423 6.5423 7.0459 7.0459 7.0853 7.0853 k = 0.1951 0.1127 0.1907 ( 8224 PWs) bands (ev): -37.8518 -37.8518 -36.0585 -36.0585 -36.0438 -36.0438 -19.0790 -19.0790 -18.7152 -18.7152 -18.6757 -18.6757 -17.3407 -17.3407 -17.2837 -17.2837 -16.9831 -16.9831 -16.9070 -16.9070 -16.9023 -16.9023 -16.8856 -16.8856 -11.3486 -11.3486 -11.2756 -11.2756 -1.0322 -1.0322 -0.3259 -0.3259 0.2115 0.2115 0.5022 0.5022 0.6847 0.6847 0.8777 0.8777 0.8856 0.8856 4.2244 4.2244 5.0373 5.0373 5.5333 5.5333 5.7924 5.7924 6.2084 6.2084 6.5542 6.5542 7.0528 7.0528 7.1113 7.1113 k = 0.2073 0.1197 0.1907 ( 8222 PWs) bands (ev): -37.8518 -37.8518 -36.0585 -36.0585 -36.0438 -36.0438 -19.0792 -19.0792 -18.7154 -18.7154 -18.6763 -18.6763 -17.3408 -17.3408 -17.2840 -17.2840 -16.9834 -16.9834 -16.9077 -16.9077 -16.9025 -16.9025 -16.8862 -16.8862 -11.3446 -11.3446 -11.2731 -11.2731 -1.0080 -1.0080 -0.3138 -0.3138 0.1757 0.1757 0.4708 0.4708 0.6706 0.6706 0.8643 0.8643 0.8790 0.8790 4.2707 4.2707 4.9592 4.9592 5.5373 5.5373 5.7790 5.7790 6.2317 6.2317 6.5644 6.5644 7.0587 7.0587 7.1386 7.1386 k = 0.2195 0.1267 0.1907 ( 8232 PWs) bands (ev): -37.8518 -37.8518 -36.0584 -36.0584 -36.0438 -36.0438 -19.0795 -19.0795 -18.7155 -18.7155 -18.6769 -18.6769 -17.3409 -17.3409 -17.2844 -17.2844 -16.9836 -16.9836 -16.9084 -16.9084 -16.9026 -16.9026 -16.8868 -16.8868 -11.3406 -11.3406 -11.2705 -11.2705 -0.9830 -0.9830 -0.3018 -0.3018 0.1390 0.1390 0.4389 0.4389 0.6577 0.6577 0.8502 0.8502 0.8735 0.8735 4.3164 4.3164 4.8810 4.8810 5.5404 5.5404 5.7656 5.7656 6.2570 6.2570 6.5732 6.5732 7.0638 7.0638 7.1671 7.1671 k = 0.2317 0.1338 0.1907 ( 8236 PWs) bands (ev): -37.8517 -37.8517 -36.0584 -36.0584 -36.0437 -36.0437 -19.0798 -19.0798 -18.7157 -18.7157 -18.6775 -18.6775 -17.3410 -17.3410 -17.2848 -17.2848 -16.9839 -16.9839 -16.9091 -16.9091 -16.9027 -16.9027 -16.8875 -16.8875 -11.3365 -11.3365 -11.2679 -11.2679 -0.9572 -0.9572 -0.2901 -0.2901 0.1019 0.1019 0.4069 0.4069 0.6459 0.6459 0.8363 0.8363 0.8683 0.8683 4.3614 4.3614 4.8031 4.8031 5.5429 5.5429 5.7521 5.7521 6.2838 6.2838 6.5806 6.5806 7.0685 7.0685 7.1968 7.1968 k = 0.2439 0.1408 0.1907 ( 8234 PWs) bands (ev): -37.8517 -37.8517 -36.0583 -36.0583 -36.0436 -36.0436 -19.0800 -19.0800 -18.7158 -18.7158 -18.6781 -18.6781 -17.3412 -17.3412 -17.2852 -17.2852 -16.9841 -16.9841 -16.9099 -16.9099 -16.9028 -16.9028 -16.8881 -16.8881 -11.3323 -11.3323 -11.2652 -11.2652 -0.9309 -0.9309 -0.2789 -0.2789 0.0649 0.0649 0.3751 0.3751 0.6350 0.6350 0.8227 0.8227 0.8632 0.8632 4.4054 4.4054 4.7259 4.7259 5.5449 5.5449 5.7387 5.7387 6.3118 6.3118 6.5867 6.5867 7.0731 7.0731 7.2275 7.2275 k = 0.2561 0.1479 0.1907 ( 8250 PWs) bands (ev): -37.8516 -37.8516 -36.0583 -36.0583 -36.0436 -36.0436 -19.0803 -19.0803 -18.7160 -18.7160 -18.6787 -18.6787 -17.3413 -17.3413 -17.2857 -17.2857 -16.9844 -16.9844 -16.9107 -16.9107 -16.9029 -16.9029 -16.8887 -16.8887 -11.3281 -11.3281 -11.2626 -11.2626 -0.9040 -0.9040 -0.2686 -0.2686 0.0284 0.0284 0.3439 0.3439 0.6249 0.6249 0.8095 0.8095 0.8583 0.8583 4.4481 4.4481 4.6495 4.6495 5.5467 5.5467 5.7254 5.7254 6.3405 6.3405 6.5916 6.5916 7.0778 7.0778 7.2587 7.2590 k = 0.2683 0.1549 0.1907 ( 8242 PWs) bands (ev): -37.8516 -37.8516 -36.0582 -36.0582 -36.0436 -36.0436 -19.0805 -19.0805 -18.7161 -18.7161 -18.6792 -18.6792 -17.3414 -17.3414 -17.2861 -17.2861 -16.9846 -16.9846 -16.9114 -16.9114 -16.9030 -16.9030 -16.8894 -16.8894 -11.3240 -11.3240 -11.2599 -11.2599 -0.8768 -0.8768 -0.2595 -0.2595 -0.0070 -0.0070 0.3135 0.3135 0.6156 0.6156 0.7967 0.7967 0.8535 0.8535 4.4893 4.4893 4.5744 4.5744 5.5485 5.5485 5.7124 5.7124 6.3697 6.3697 6.5955 6.5955 7.0832 7.0832 7.2624 7.2624 k = 0.2805 0.1619 0.1907 ( 8238 PWs) bands (ev): -37.8515 -37.8515 -36.0582 -36.0582 -36.0435 -36.0435 -19.0808 -19.0808 -18.7163 -18.7163 -18.6798 -18.6798 -17.3415 -17.3415 -17.2865 -17.2865 -16.9849 -16.9849 -16.9122 -16.9122 -16.9030 -16.9030 -16.8900 -16.8900 -11.3198 -11.3198 -11.2573 -11.2573 -0.8495 -0.8495 -0.2522 -0.2522 -0.0406 -0.0406 0.2842 0.2842 0.6069 0.6069 0.7843 0.7843 0.8489 0.8489 4.5007 4.5007 4.5291 4.5291 5.5502 5.5502 5.6996 5.6996 6.3992 6.3992 6.5984 6.5984 7.0891 7.0891 7.2618 7.2618 k = 0.2927 0.1690 0.1907 ( 8238 PWs) bands (ev): -37.8515 -37.8515 -36.0581 -36.0581 -36.0435 -36.0435 -19.0811 -19.0811 -18.7165 -18.7165 -18.6804 -18.6804 -17.3416 -17.3416 -17.2869 -17.2869 -16.9851 -16.9851 -16.9130 -16.9130 -16.9031 -16.9031 -16.8906 -16.8906 -11.3158 -11.3158 -11.2547 -11.2547 -0.8221 -0.8221 -0.2475 -0.2475 -0.0715 -0.0715 0.2564 0.2564 0.5988 0.5988 0.7725 0.7725 0.8444 0.8444 4.4289 4.4289 4.5668 4.5668 5.5520 5.5520 5.6871 5.6871 6.4290 6.4290 6.6005 6.6005 7.0959 7.0959 7.2598 7.2598 k = 0.3049 0.1760 0.1907 ( 8234 PWs) bands (ev): -37.8514 -37.8514 -36.0581 -36.0581 -36.0434 -36.0434 -19.0813 -19.0813 -18.7166 -18.7166 -18.6809 -18.6809 -17.3417 -17.3417 -17.2873 -17.2873 -16.9853 -16.9853 -16.9137 -16.9137 -16.9031 -16.9031 -16.8911 -16.8911 -11.3118 -11.3118 -11.2521 -11.2521 -0.7948 -0.7948 -0.2466 -0.2466 -0.0986 -0.0986 0.2303 0.2303 0.5912 0.5912 0.7612 0.7612 0.8401 0.8401 4.3592 4.3592 4.6027 4.6027 5.5538 5.5538 5.6750 5.6750 6.4592 6.4592 6.6017 6.6017 7.1034 7.1034 7.2567 7.2567 k = 0.3171 0.1831 0.1907 ( 8238 PWs) bands (ev): -37.8514 -37.8514 -36.0580 -36.0580 -36.0434 -36.0434 -19.0816 -19.0816 -18.7168 -18.7168 -18.6814 -18.6814 -17.3418 -17.3418 -17.2877 -17.2877 -16.9856 -16.9856 -16.9145 -16.9145 -16.9032 -16.9032 -16.8917 -16.8917 -11.3079 -11.3079 -11.2496 -11.2496 -0.7679 -0.7679 -0.2507 -0.2507 -0.1206 -0.1206 0.2062 0.2062 0.5842 0.5842 0.7504 0.7504 0.8361 0.8361 4.2918 4.2918 4.6365 4.6365 5.5555 5.5555 5.6634 5.6634 6.4899 6.4899 6.6023 6.6023 7.1118 7.1118 7.2526 7.2526 k = 0.3293 0.1901 0.1907 ( 8224 PWs) bands (ev): -37.8513 -37.8513 -36.0580 -36.0580 -36.0433 -36.0433 -19.0818 -19.0818 -18.7169 -18.7169 -18.6819 -18.6819 -17.3419 -17.3419 -17.2880 -17.2880 -16.9858 -16.9858 -16.9151 -16.9151 -16.9032 -16.9032 -16.8923 -16.8923 -11.3041 -11.3041 -11.2472 -11.2472 -0.7416 -0.7416 -0.2608 -0.2608 -0.1364 -0.1364 0.1844 0.1844 0.5775 0.5775 0.7402 0.7402 0.8322 0.8322 4.2271 4.2271 4.6683 4.6683 5.5571 5.5571 5.6522 5.6522 6.5211 6.5211 6.6023 6.6023 7.1209 7.1209 7.2480 7.2480 k = 0.3415 0.1971 0.1907 ( 8224 PWs) bands (ev): -37.8513 -37.8513 -36.0579 -36.0579 -36.0433 -36.0433 -19.0820 -19.0820 -18.7171 -18.7171 -18.6824 -18.6824 -17.3420 -17.3420 -17.2884 -17.2884 -16.9860 -16.9860 -16.9158 -16.9158 -16.9032 -16.9032 -16.8928 -16.8928 -11.3005 -11.3005 -11.2449 -11.2449 -0.7159 -0.7159 -0.2763 -0.2763 -0.1467 -0.1467 0.1651 0.1651 0.5714 0.5714 0.7306 0.7306 0.8286 0.8286 4.1652 4.1652 4.6979 4.6979 5.5586 5.5586 5.6416 5.6416 6.5530 6.5530 6.6018 6.6018 7.1308 7.1308 7.2430 7.2430 k = 0.3537 0.2042 0.1907 ( 8212 PWs) bands (ev): -37.8512 -37.8512 -36.0579 -36.0579 -36.0432 -36.0432 -19.0822 -19.0822 -18.7172 -18.7172 -18.6828 -18.6828 -17.3421 -17.3421 -17.2887 -17.2887 -16.9862 -16.9862 -16.9165 -16.9165 -16.9032 -16.9032 -16.8933 -16.8933 -11.2971 -11.2971 -11.2427 -11.2427 -0.6912 -0.6912 -0.2953 -0.2953 -0.1533 -0.1533 0.1483 0.1483 0.5657 0.5657 0.7216 0.7216 0.8252 0.8252 4.1066 4.1066 4.7254 4.7254 5.5598 5.5598 5.6316 5.6316 6.5850 6.5850 6.6015 6.6015 7.1413 7.1413 7.2378 7.2378 k = 0.3659 0.2112 0.1907 ( 8192 PWs) bands (ev): -37.8512 -37.8512 -36.0578 -36.0578 -36.0432 -36.0432 -19.0824 -19.0824 -18.7173 -18.7173 -18.6832 -18.6832 -17.3422 -17.3422 -17.2890 -17.2890 -16.9864 -16.9864 -16.9171 -16.9171 -16.9032 -16.9032 -16.8937 -16.8937 -11.2938 -11.2938 -11.2407 -11.2407 -0.6676 -0.6676 -0.3159 -0.3159 -0.1581 -0.1581 0.1342 0.1342 0.5604 0.5604 0.7133 0.7133 0.8221 0.8221 4.0514 4.0514 4.7508 4.7508 5.5607 5.5607 5.6223 5.6223 6.5985 6.5985 6.6197 6.6197 7.1526 7.1526 7.2325 7.2325 k = 0.3780 0.2183 0.1907 ( 8202 PWs) bands (ev): -37.8512 -37.8512 -36.0578 -36.0578 -36.0431 -36.0431 -19.0826 -19.0826 -18.7175 -18.7175 -18.6836 -18.6836 -17.3423 -17.3423 -17.2893 -17.2893 -16.9866 -16.9866 -16.9177 -16.9177 -16.9032 -16.9032 -16.8942 -16.8942 -11.2908 -11.2908 -11.2387 -11.2387 -0.6453 -0.6453 -0.3366 -0.3366 -0.1622 -0.1622 0.1228 0.1228 0.5556 0.5556 0.7056 0.7056 0.8193 0.8193 4.0000 4.0000 4.7740 4.7740 5.5612 5.5612 5.6136 5.6136 6.5974 6.5974 6.6525 6.6525 7.1646 7.1646 7.2274 7.2274 k = 0.3902 0.2253 0.1907 ( 8194 PWs) bands (ev): -37.8511 -37.8511 -36.0578 -36.0578 -36.0431 -36.0431 -19.0828 -19.0828 -18.7176 -18.7176 -18.6839 -18.6839 -17.3424 -17.3424 -17.2896 -17.2896 -16.9868 -16.9868 -16.9182 -16.9182 -16.9032 -16.9032 -16.8946 -16.8946 -11.2880 -11.2880 -11.2369 -11.2369 -0.6245 -0.6245 -0.3565 -0.3565 -0.1663 -0.1663 0.1137 0.1137 0.5512 0.5512 0.6986 0.6986 0.8167 0.8167 3.9525 3.9525 4.7950 4.7950 5.5615 5.5615 5.6056 5.6056 6.5958 6.5958 6.6853 6.6853 7.1773 7.1773 7.2225 7.2225 k = 0.4024 0.2323 0.1907 ( 8194 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0431 -36.0431 -19.0830 -19.0830 -18.7177 -18.7177 -18.6843 -18.6843 -17.3425 -17.3425 -17.2899 -17.2899 -16.9869 -16.9869 -16.9187 -16.9187 -16.9032 -16.9032 -16.8949 -16.8949 -11.2854 -11.2854 -11.2353 -11.2353 -0.6055 -0.6055 -0.3751 -0.3751 -0.1705 -0.1705 0.1068 0.1068 0.5472 0.5472 0.6923 0.6923 0.8144 0.8144 3.9093 3.9093 4.8139 4.8139 5.5614 5.5614 5.5984 5.5984 6.5941 6.5941 6.7174 6.7174 7.1910 7.1910 7.2179 7.2179 k = 0.4146 0.2394 0.1907 ( 8196 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0431 -36.0431 -19.0831 -19.0831 -18.7178 -18.7178 -18.6845 -18.6845 -17.3425 -17.3425 -17.2901 -17.2901 -16.9871 -16.9871 -16.9191 -16.9191 -16.9032 -16.9032 -16.8953 -16.8953 -11.2831 -11.2831 -11.2338 -11.2338 -0.5883 -0.5883 -0.3920 -0.3920 -0.1749 -0.1749 0.1018 0.1018 0.5437 0.5437 0.6867 0.6867 0.8124 0.8124 3.8705 3.8705 4.8307 4.8307 5.5612 5.5612 5.5919 5.5919 6.5924 6.5924 6.7479 6.7479 7.2055 7.2055 7.2139 7.2139 k = 0.4268 0.2464 0.1907 ( 8190 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0430 -36.0430 -19.0833 -19.0833 -18.7179 -18.7179 -18.6848 -18.6848 -17.3426 -17.3426 -17.2903 -17.2903 -16.9872 -16.9872 -16.9195 -16.9195 -16.9032 -16.9032 -16.8956 -16.8956 -11.2811 -11.2811 -11.2325 -11.2325 -0.5731 -0.5731 -0.4069 -0.4069 -0.1792 -0.1792 0.0982 0.0982 0.5406 0.5406 0.6819 0.6819 0.8106 0.8106 3.8364 3.8364 4.8452 4.8452 5.5607 5.5607 5.5863 5.5863 6.5908 6.5908 6.7761 6.7761 7.2097 7.2097 7.2214 7.2214 k = 0.4390 0.2535 0.1907 ( 8190 PWs) bands (ev): -37.8510 -37.8510 -36.0577 -36.0577 -36.0430 -36.0430 -19.0834 -19.0834 -18.7180 -18.7180 -18.6850 -18.6850 -17.3426 -17.3426 -17.2904 -17.2904 -16.9873 -16.9873 -16.9198 -16.9198 -16.9033 -16.9033 -16.8958 -16.8958 -11.2794 -11.2794 -11.2314 -11.2314 -0.5601 -0.5601 -0.4197 -0.4197 -0.1833 -0.1833 0.0958 0.0958 0.5380 0.5380 0.6778 0.6778 0.8091 0.8091 3.8071 3.8071 4.8576 4.8576 5.5602 5.5602 5.5815 5.5815 6.5893 6.5893 6.8012 6.8012 7.2066 7.2066 7.2374 7.2374 k = 0.4512 0.2605 0.1907 ( 8186 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0835 -19.0835 -18.7181 -18.7181 -18.6852 -18.6852 -17.3427 -17.3427 -17.2906 -17.2906 -16.9874 -16.9874 -16.9200 -16.9200 -16.9033 -16.9033 -16.8960 -16.8960 -11.2780 -11.2780 -11.2305 -11.2305 -0.5494 -0.5494 -0.4304 -0.4304 -0.1868 -0.1868 0.0943 0.0943 0.5359 0.5359 0.6744 0.6744 0.8079 0.8079 3.7830 3.7830 4.8678 4.8678 5.5597 5.5597 5.5775 5.5775 6.5880 6.5880 6.8225 6.8225 7.2039 7.2039 7.2535 7.2535 k = 0.4634 0.2676 0.1907 ( 8184 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0835 -19.0835 -18.7181 -18.7181 -18.6853 -18.6853 -17.3427 -17.3427 -17.2907 -17.2907 -16.9875 -16.9875 -16.9203 -16.9203 -16.9033 -16.9033 -16.8962 -16.8962 -11.2768 -11.2768 -11.2298 -11.2298 -0.5410 -0.5410 -0.4387 -0.4387 -0.1898 -0.1898 0.0933 0.0933 0.5342 0.5342 0.6718 0.6718 0.8070 0.8070 3.7640 3.7640 4.8758 4.8758 5.5592 5.5592 5.5744 5.5744 6.5869 6.5869 6.8395 6.8395 7.2017 7.2017 7.2685 7.2685 k = 0.4756 0.2746 0.1907 ( 8170 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3427 -17.3427 -17.2908 -17.2908 -16.9875 -16.9875 -16.9204 -16.9204 -16.9033 -16.9033 -16.8963 -16.8963 -11.2760 -11.2760 -11.2293 -11.2293 -0.5349 -0.5349 -0.4447 -0.4447 -0.1919 -0.1919 0.0928 0.0928 0.5330 0.5330 0.6699 0.6699 0.8063 0.8063 3.7504 3.7504 4.8815 4.8815 5.5588 5.5588 5.5722 5.5722 6.5862 6.5862 6.8519 6.8519 7.2002 7.2002 7.2810 7.2810 k = 0.4878 0.2816 0.1907 ( 8164 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3427 -17.3427 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2755 -11.2755 -11.2290 -11.2290 -0.5313 -0.5313 -0.4483 -0.4483 -0.1933 -0.1933 0.0925 0.0925 0.5323 0.5323 0.6687 0.6687 0.8059 0.8059 3.7421 3.7421 4.8849 4.8849 5.5586 5.5586 5.5709 5.5709 6.5857 6.5857 6.8593 6.8593 7.1993 7.1993 7.2894 7.2894 k = 0.5000 0.2887 0.1907 ( 8164 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3427 -17.3427 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9033 -16.9033 -16.8963 -16.8963 -11.2754 -11.2754 -11.2289 -11.2289 -0.5301 -0.5301 -0.4495 -0.4495 -0.1937 -0.1937 0.0924 0.0924 0.5321 0.5321 0.6684 0.6684 0.8058 0.8058 3.7394 3.7394 4.8860 4.8860 5.5585 5.5585 5.5705 5.5705 6.5855 6.5855 6.8618 6.8618 7.1990 7.1990 7.2924 7.2924 k = 0.5000 0.2887 0.1907 ( 8164 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3427 -17.3427 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9033 -16.9033 -16.8963 -16.8963 -11.2754 -11.2754 -11.2289 -11.2289 -0.5301 -0.5301 -0.4495 -0.4495 -0.1937 -0.1937 0.0924 0.0924 0.5321 0.5321 0.6684 0.6684 0.8058 0.8058 3.7394 3.7394 4.8860 4.8860 5.5585 5.5585 5.5705 5.5705 6.5855 6.5855 6.8618 6.8618 7.1990 7.1990 7.2924 7.2924 k = 0.4931 0.3007 0.1907 ( 8160 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0837 -19.0835 -18.7182 -18.7181 -18.6856 -18.6853 -17.3428 -17.3427 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9033 -16.9033 -16.8964 -16.8963 -11.2754 -11.2753 -11.2289 -11.2288 -0.5296 -0.5295 -0.4503 -0.4474 -0.1940 -0.1931 0.0923 0.0929 0.5292 0.5329 0.6664 0.6674 0.8050 0.8051 3.7403 3.7405 4.8866 4.8868 5.5593 5.5606 5.5646 5.5650 6.5907 6.5913 6.8618 6.8658 7.1993 7.1995 7.2910 7.2913 k = 0.4861 0.3127 0.1907 ( 8172 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0838 -19.0835 -18.7183 -18.7181 -18.6858 -18.6852 -17.3428 -17.3427 -17.2909 -17.2908 -16.9876 -16.9875 -16.9205 -16.9205 -16.9033 -16.9033 -16.8964 -16.8963 -11.2753 -11.2751 -11.2288 -11.2287 -0.5282 -0.5279 -0.4498 -0.4439 -0.1940 -0.1921 0.0928 0.0940 0.5242 0.5316 0.6617 0.6637 0.8027 0.8031 3.7433 3.7438 4.8885 4.8890 5.5458 5.5471 5.5644 5.5674 6.6063 6.6075 6.8657 6.8736 7.2005 7.2008 7.2872 7.2878 k = 0.4792 0.3248 0.1907 ( 8172 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0839 -19.0834 -18.7183 -18.7180 -18.6860 -18.6851 -17.3428 -17.3427 -17.2909 -17.2908 -16.9876 -16.9875 -16.9205 -16.9204 -16.9034 -16.9034 -16.8965 -16.8964 -11.2750 -11.2748 -11.2286 -11.2285 -0.5257 -0.5253 -0.4480 -0.4391 -0.1936 -0.1908 0.0937 0.0955 0.5169 0.5283 0.6542 0.6572 0.7990 0.7997 3.7484 3.7491 4.8918 4.8926 5.5172 5.5190 5.5725 5.5769 6.6314 6.6334 6.8733 6.8852 7.2024 7.2029 7.2812 7.2822 k = 0.4722 0.3368 0.1907 ( 8178 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0840 -19.0833 -18.7183 -18.7179 -18.6863 -18.6851 -17.3428 -17.3427 -17.2910 -17.2908 -16.9876 -16.9875 -16.9205 -16.9204 -16.9035 -16.9035 -16.8967 -16.8965 -11.2747 -11.2744 -11.2284 -11.2283 -0.5223 -0.5218 -0.4449 -0.4329 -0.1929 -0.1891 0.0951 0.0975 0.5073 0.5228 0.6440 0.6480 0.7942 0.7954 3.7556 3.7565 4.8964 4.8974 5.4792 5.4816 5.5839 5.5897 6.6648 6.6675 6.8845 6.9003 7.2049 7.2055 7.2733 7.2745 k = 0.4653 0.3488 0.1907 ( 8182 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0841 -19.0833 -18.7183 -18.7178 -18.6866 -18.6851 -17.3428 -17.3427 -17.2910 -17.2909 -16.9876 -16.9874 -16.9205 -16.9203 -16.9037 -16.9036 -16.8968 -16.8965 -11.2743 -11.2739 -11.2281 -11.2280 -0.5179 -0.5173 -0.4406 -0.4254 -0.1919 -0.1872 0.0969 0.0999 0.4952 0.5150 0.6314 0.6363 0.7885 0.7904 3.7648 3.7659 4.9022 4.9035 5.4336 5.4363 5.5984 5.6058 6.7049 6.7085 6.8989 6.9186 7.2077 7.2085 7.2639 7.2652 k = 0.4583 0.3608 0.1907 ( 8194 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0842 -19.0832 -18.7184 -18.7177 -18.6869 -18.6851 -17.3429 -17.3428 -17.2911 -17.2909 -16.9876 -16.9874 -16.9205 -16.9203 -16.9038 -16.9038 -16.8970 -16.8966 -11.2738 -11.2734 -11.2278 -11.2276 -0.5125 -0.5119 -0.4351 -0.4166 -0.1905 -0.1850 0.0993 0.1028 0.4805 0.5050 0.6163 0.6222 0.7824 0.7850 3.7761 3.7773 4.9092 4.9107 5.3817 5.3847 5.6159 5.6247 6.7504 6.7550 6.9160 6.9395 7.2106 7.2115 7.2534 7.2547 k = 0.4514 0.3729 0.1907 ( 8188 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0843 -19.0832 -18.7183 -18.7176 -18.6872 -18.6851 -17.3429 -17.3427 -17.2911 -17.2909 -16.9876 -16.9874 -16.9204 -16.9202 -16.9040 -16.9040 -16.8971 -16.8968 -11.2733 -11.2727 -11.2274 -11.2272 -0.5063 -0.5057 -0.4285 -0.4065 -0.1889 -0.1826 0.1021 0.1062 0.4631 0.4925 0.5991 0.6059 0.7760 0.7796 3.7893 3.7907 4.9172 4.9190 5.3248 5.3280 5.6360 5.6462 6.8001 6.8056 6.9353 6.9625 7.2134 7.2143 7.2424 7.2436 k = 0.4444 0.3849 0.1907 ( 8184 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0844 -19.0831 -18.7183 -18.7175 -18.6875 -18.6852 -17.3429 -17.3427 -17.2912 -17.2910 -16.9876 -16.9874 -16.9204 -16.9202 -16.9042 -16.9042 -16.8973 -16.8969 -11.2726 -11.2720 -11.2270 -11.2268 -0.4993 -0.4988 -0.4209 -0.3950 -0.1871 -0.1800 0.1053 0.1100 0.4431 0.4776 0.5800 0.5877 0.7698 0.7743 3.8046 3.8061 4.9262 4.9282 5.2642 5.2675 5.6584 5.6701 6.8527 6.8593 6.9559 6.9868 7.2158 7.2167 7.2313 7.2322 k = 0.4375 0.3969 0.1907 ( 8192 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0846 -19.0831 -18.7183 -18.7174 -18.6878 -18.6852 -17.3429 -17.3428 -17.2913 -17.2910 -16.9876 -16.9874 -16.9203 -16.9201 -16.9044 -16.9044 -16.8975 -16.8970 -11.2719 -11.2713 -11.2265 -11.2263 -0.4916 -0.4911 -0.4122 -0.3823 -0.1850 -0.1772 0.1091 0.1143 0.4205 0.4603 0.5592 0.5679 0.7639 0.7694 3.8217 3.8233 4.9360 4.9382 5.2006 5.2040 5.6828 5.6959 6.9072 6.9148 6.9769 7.0111 7.2174 7.2181 7.2210 7.2217 k = 0.4306 0.4090 0.1907 ( 8200 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0847 -19.0831 -18.7183 -18.7173 -18.6882 -18.6854 -17.3430 -17.3428 -17.2914 -17.2911 -16.9877 -16.9874 -16.9203 -16.9200 -16.9047 -16.9047 -16.8977 -16.8972 -11.2712 -11.2704 -11.2260 -11.2258 -0.4832 -0.4829 -0.4026 -0.3684 -0.1827 -0.1743 0.1133 0.1189 0.3955 0.4410 0.5370 0.5466 0.7585 0.7651 3.8408 3.8425 4.9464 4.9488 5.1350 5.1384 5.7088 5.7233 6.9620 6.9710 6.9973 7.0340 7.2117 7.2121 7.2184 7.2198 k = 0.4236 0.4210 0.1907 ( 8202 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0848 -19.0831 -18.7183 -18.7171 -18.6886 -18.6855 -17.3430 -17.3428 -17.2914 -17.2911 -16.9877 -16.9874 -16.9203 -16.9200 -16.9049 -16.9049 -16.8979 -16.8974 -11.2704 -11.2696 -11.2255 -11.2252 -0.4742 -0.4742 -0.3923 -0.3533 -0.1802 -0.1714 0.1179 0.1241 0.3683 0.4197 0.5136 0.5242 0.7539 0.7613 3.8617 3.8634 4.9574 4.9599 5.0681 5.0716 5.7361 5.7520 7.0087 7.0228 7.0266 7.0535 7.2054 7.2061 7.2185 7.2202 k = 0.4167 0.4330 0.1907 ( 8212 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0849 -19.0831 -18.7183 -18.7170 -18.6889 -18.6856 -17.3430 -17.3428 -17.2915 -17.2912 -16.9877 -16.9874 -16.9202 -16.9199 -16.9051 -16.9051 -16.8982 -16.8976 -11.2696 -11.2687 -11.2249 -11.2246 -0.4651 -0.4648 -0.3812 -0.3370 -0.1777 -0.1684 0.1230 0.1296 0.3394 0.3969 0.4894 0.5010 0.7498 0.7581 3.8845 3.8862 4.9684 4.9706 5.0007 5.0045 5.7643 5.7815 7.0247 7.0664 7.0726 7.0803 7.2038 7.2039 7.2181 7.2205 k = 0.4097 0.4450 0.1907 ( 8224 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0850 -19.0831 -18.7182 -18.7169 -18.6893 -18.6857 -17.3431 -17.3429 -17.2916 -17.2913 -16.9877 -16.9874 -16.9202 -16.9198 -16.9054 -16.9054 -16.8984 -16.8978 -11.2687 -11.2678 -11.2244 -11.2241 -0.4558 -0.4550 -0.3696 -0.3197 -0.1751 -0.1655 0.1285 0.1356 0.3089 0.3730 0.4647 0.4772 0.7465 0.7554 3.9090 3.9107 4.9322 4.9348 4.9805 4.9840 5.7930 5.8114 7.0319 7.0725 7.1214 7.1279 7.2062 7.2081 7.2186 7.2224 k = 0.4028 0.4571 0.1907 ( 8222 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0851 -19.0830 -18.7182 -18.7168 -18.6896 -18.6859 -17.3431 -17.3429 -17.2917 -17.2913 -16.9877 -16.9874 -16.9202 -16.9198 -16.9057 -16.9056 -16.8986 -16.8979 -11.2679 -11.2669 -11.2238 -11.2235 -0.4463 -0.4450 -0.3576 -0.3013 -0.1725 -0.1627 0.1345 0.1420 0.2775 0.3484 0.4397 0.4532 0.7437 0.7533 3.9353 3.9369 4.8648 4.8676 4.9918 4.9952 5.8217 5.8414 7.0328 7.0711 7.1619 7.1640 7.2116 7.2174 7.2243 7.2311 k = 0.3958 0.4691 0.1907 ( 8226 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0852 -19.0830 -18.7182 -18.7167 -18.6900 -18.6860 -17.3431 -17.3429 -17.2917 -17.2914 -16.9877 -16.9874 -16.9201 -16.9197 -16.9059 -16.9058 -16.8988 -16.8981 -11.2671 -11.2661 -11.2233 -11.2229 -0.4370 -0.4350 -0.3455 -0.2820 -0.1699 -0.1601 0.1407 0.1489 0.2454 0.3238 0.4148 0.4293 0.7415 0.7516 3.9632 3.9648 4.7982 4.8009 5.0030 5.0065 5.8501 5.8709 7.0288 7.0645 7.1808 7.1839 7.2203 7.2295 7.2424 7.2530 k = 0.3889 0.4811 0.1907 ( 8228 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0853 -19.0831 -18.7182 -18.7166 -18.6903 -18.6861 -17.3432 -17.3429 -17.2918 -17.2915 -16.9878 -16.9874 -16.9201 -16.9197 -16.9061 -16.9060 -16.8990 -16.8983 -11.2663 -11.2652 -11.2227 -11.2224 -0.4278 -0.4251 -0.3334 -0.2618 -0.1675 -0.1578 0.1469 0.1561 0.2136 0.2995 0.3902 0.4057 0.7397 0.7502 3.9927 3.9943 4.7328 4.7354 5.0139 5.0174 5.8775 5.8994 7.0214 7.0550 7.1840 7.1882 7.2321 7.2420 7.2702 7.2818 k = 0.3819 0.4932 0.1907 ( 8228 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0854 -19.0831 -18.7181 -18.7165 -18.6905 -18.6863 -17.3432 -17.3429 -17.2919 -17.2915 -16.9878 -16.9873 -16.9201 -16.9196 -16.9063 -16.9062 -16.8992 -16.8984 -11.2655 -11.2644 -11.2222 -11.2219 -0.4190 -0.4155 -0.3217 -0.2409 -0.1652 -0.1558 0.1511 0.1638 0.1843 0.2763 0.3662 0.3828 0.7384 0.7492 4.0238 4.0253 4.6691 4.6715 5.0241 5.0277 5.9036 5.9264 7.0122 7.0442 7.1824 7.1864 7.2436 7.2534 7.2979 7.3090 k = 0.3750 0.5052 0.1907 ( 8232 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0855 -19.0831 -18.7181 -18.7164 -18.6908 -18.6864 -17.3432 -17.3429 -17.2920 -17.2916 -16.9878 -16.9874 -16.9201 -16.9196 -16.9065 -16.9064 -16.8994 -16.8985 -11.2648 -11.2637 -11.2217 -11.2214 -0.4108 -0.4064 -0.3105 -0.2195 -0.1632 -0.1541 0.1393 0.1718 0.1721 0.2546 0.3432 0.3609 0.7373 0.7485 4.0564 4.0578 4.6074 4.6097 5.0335 5.0372 5.9276 5.9514 7.0024 7.0333 7.1793 7.1831 7.2537 7.2630 7.3216 7.3317 k = 0.3681 0.5172 0.1907 ( 8236 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0855 -19.0831 -18.7181 -18.7164 -18.6910 -18.6865 -17.3432 -17.3429 -17.2920 -17.2916 -16.9878 -16.9874 -16.9201 -16.9196 -16.9067 -16.9066 -16.8995 -16.8987 -11.2641 -11.2630 -11.2213 -11.2210 -0.4033 -0.3980 -0.3004 -0.1979 -0.1615 -0.1527 0.1116 0.1773 0.1801 0.2351 0.3213 0.3403 0.7366 0.7480 4.0902 4.0916 4.5482 4.5504 5.0419 5.0457 5.9491 5.9737 6.9929 7.0231 7.1758 7.1795 7.2622 7.2707 7.3406 7.3499 k = 0.3611 0.5292 0.1907 ( 8244 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7181 -18.7163 -18.6912 -18.6866 -17.3432 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9068 -16.9067 -16.8996 -16.8988 -11.2636 -11.2624 -11.2210 -11.2206 -0.3968 -0.3906 -0.2915 -0.1766 -0.1601 -0.1515 0.0826 0.1859 0.1887 0.2182 0.3009 0.3213 0.7360 0.7476 4.1252 4.1265 4.4920 4.4941 5.0492 5.0530 5.9675 5.9929 6.9845 7.0142 7.1726 7.1762 7.2689 7.2764 7.3554 7.3640 k = 0.3542 0.5413 0.1907 ( 8242 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7181 -18.7163 -18.6914 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9068 -16.8997 -16.8989 -11.2631 -11.2619 -11.2207 -11.2203 -0.3915 -0.3844 -0.2844 -0.1591 -0.1581 -0.1487 0.0556 0.1956 0.1971 0.2047 0.2821 0.3046 0.7356 0.7474 4.1609 4.1622 4.4394 4.4414 5.0550 5.0589 5.9823 6.0082 6.9777 7.0072 7.1698 7.1733 7.2739 7.2805 7.3664 7.3745 k = 0.3472 0.5533 0.1907 ( 8254 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6915 -18.6867 -17.3433 -17.3430 -17.2922 -17.2918 -16.9878 -16.9874 -16.9201 -16.9196 -16.9070 -16.9069 -16.8998 -16.8989 -11.2628 -11.2616 -11.2204 -11.2201 -0.3874 -0.3797 -0.2791 -0.1584 -0.1529 -0.1352 0.0322 0.1945 0.2049 0.2059 0.2652 0.2908 0.7354 0.7472 4.1963 4.1977 4.3915 4.3937 5.0594 5.0633 5.9931 6.0194 6.9729 7.0023 7.1677 7.1712 7.2773 7.2830 7.3740 7.3817 k = 0.3403 0.5653 0.1907 ( 8254 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9879 -16.9874 -16.9201 -16.9196 -16.9071 -16.9069 -16.8999 -16.8990 -11.2626 -11.2614 -11.2203 -11.2199 -0.3849 -0.3767 -0.2760 -0.1580 -0.1524 -0.1219 0.0155 0.1885 0.2107 0.2160 0.2512 0.2813 0.7352 0.7471 4.2280 4.2300 4.3518 4.3544 5.0621 5.0660 5.9996 6.0261 6.9703 6.9996 7.1663 7.1698 7.2793 7.2844 7.3785 7.3859 k = 0.3333 0.5774 0.1907 ( 8250 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9879 -16.9874 -16.9201 -16.9196 -16.9071 -16.9069 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2199 -0.3840 -0.3756 -0.2750 -0.1579 -0.1523 -0.1167 0.0092 0.1865 0.2129 0.2217 0.2443 0.2779 0.7352 0.7471 4.2436 4.2462 4.3330 4.3363 5.0630 5.0669 6.0018 6.0284 6.9694 6.9988 7.1659 7.1693 7.2800 7.2849 7.3799 7.3873 k = 0.3333 0.5774 0.1907 ( 8250 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9879 -16.9874 -16.9201 -16.9196 -16.9071 -16.9069 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2199 -0.3840 -0.3756 -0.2750 -0.1579 -0.1523 -0.1167 0.0092 0.1865 0.2129 0.2217 0.2443 0.2779 0.7352 0.7471 4.2436 4.2462 4.3330 4.3363 5.0630 5.0669 6.0018 6.0284 6.9694 6.9988 7.1659 7.1693 7.2800 7.2849 7.3799 7.3873 k = 0.3262 0.5651 0.1907 ( 8250 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6915 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9878 -16.9874 -16.9201 -16.9196 -16.9070 -16.9069 -16.8999 -16.8990 -11.2626 -11.2614 -11.2203 -11.2199 -0.3850 -0.3768 -0.2760 -0.1580 -0.1523 -0.1219 0.0155 0.1885 0.2107 0.2161 0.2512 0.2813 0.7352 0.7471 4.2284 4.2304 4.3515 4.3542 5.0620 5.0659 5.9996 6.0261 6.9701 6.9994 7.1664 7.1698 7.2793 7.2844 7.3784 7.3859 k = 0.3191 0.5528 0.1907 ( 8256 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6915 -18.6867 -17.3433 -17.3430 -17.2922 -17.2918 -16.9879 -16.9874 -16.9201 -16.9196 -16.9070 -16.9069 -16.8998 -16.8989 -11.2628 -11.2616 -11.2205 -11.2201 -0.3879 -0.3802 -0.2786 -0.1582 -0.1523 -0.1344 0.0316 0.1945 0.2055 0.2069 0.2643 0.2903 0.7354 0.7472 4.2000 4.2015 4.3886 4.3908 5.0590 5.0629 5.9933 6.0197 6.9715 7.0008 7.1678 7.1713 7.2770 7.2831 7.3739 7.3816 k = 0.3121 0.5405 0.1907 ( 8242 PWs) bands (ev): -37.8509 -37.8509 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7181 -18.7162 -18.6914 -18.6866 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9195 -16.9069 -16.9068 -16.8997 -16.8988 -11.2633 -11.2621 -11.2208 -11.2204 -0.3928 -0.3861 -0.2825 -0.1584 -0.1535 -0.1487 0.0532 0.1982 0.1992 0.2039 0.2795 0.3029 0.7356 0.7474 4.1712 4.1726 4.4314 4.4335 5.0539 5.0577 5.9835 6.0095 6.9730 7.0020 7.1703 7.1738 7.2728 7.2806 7.3665 7.3746 k = 0.3050 0.5282 0.1907 ( 8238 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0856 -19.0831 -18.7181 -18.7163 -18.6912 -18.6865 -17.3432 -17.3429 -17.2921 -17.2917 -16.9878 -16.9873 -16.9200 -16.9195 -16.9068 -16.9067 -16.8996 -16.8987 -11.2639 -11.2627 -11.2212 -11.2208 -0.3998 -0.3942 -0.2871 -0.1676 -0.1586 -0.1503 0.0775 0.1907 0.1928 0.2163 0.2959 0.3177 0.7360 0.7476 4.1454 4.1468 4.4767 4.4788 5.0467 5.0505 5.9705 5.9961 6.9737 7.0024 7.1736 7.1772 7.2659 7.2763 7.3563 7.3648 k = 0.2979 0.5159 0.1907 ( 8242 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0855 -19.0830 -18.7181 -18.7163 -18.6910 -18.6864 -17.3432 -17.3429 -17.2920 -17.2916 -16.9878 -16.9873 -16.9199 -16.9194 -16.9067 -16.9066 -16.8994 -16.8986 -11.2647 -11.2636 -11.2217 -11.2213 -0.4087 -0.4045 -0.2918 -0.1832 -0.1587 -0.1494 0.1033 0.1846 0.1868 0.2312 0.3133 0.3341 0.7365 0.7479 4.1237 4.1252 4.5236 4.5259 5.0373 5.0411 5.9552 5.9803 6.9732 7.0014 7.1777 7.1815 7.2556 7.2692 7.3433 7.3524 k = 0.2908 0.5036 0.1907 ( 8238 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0428 -36.0428 -19.0854 -19.0830 -18.7181 -18.7164 -18.6907 -18.6863 -17.3432 -17.3429 -17.2919 -17.2915 -16.9877 -16.9873 -16.9198 -16.9193 -16.9066 -16.9065 -16.8992 -16.8984 -11.2658 -11.2647 -11.2224 -11.2220 -0.4196 -0.4169 -0.2963 -0.1973 -0.1586 -0.1481 0.1291 0.1803 0.1815 0.2482 0.3316 0.3518 0.7372 0.7484 4.1065 4.1081 4.5717 4.5742 5.0259 5.0296 5.9379 5.9626 6.9711 6.9986 7.1824 7.1864 7.2411 7.2583 7.3280 7.3378 k = 0.2837 0.4914 0.1907 ( 8236 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0853 -19.0829 -18.7181 -18.7164 -18.6904 -18.6861 -17.3431 -17.3429 -17.2918 -17.2914 -16.9877 -16.9872 -16.9197 -16.9192 -16.9065 -16.9064 -16.8990 -16.8982 -11.2670 -11.2659 -11.2232 -11.2228 -0.4324 -0.4312 -0.3000 -0.2097 -0.1583 -0.1466 0.1522 0.1770 0.1802 0.2668 0.3507 0.3705 0.7381 0.7490 4.0941 4.0958 4.6208 4.6235 5.0125 5.0161 5.9194 5.9435 6.9673 6.9942 7.1873 7.1915 7.2219 7.2427 7.3107 7.3212 k = 0.2766 0.4791 0.1907 ( 8226 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0852 -19.0829 -18.7180 -18.7164 -18.6901 -18.6859 -17.3431 -17.3428 -17.2916 -17.2912 -16.9876 -16.9872 -16.9195 -16.9191 -16.9063 -16.9062 -16.8987 -16.8979 -11.2685 -11.2675 -11.2242 -11.2238 -0.4471 -0.4470 -0.3026 -0.2199 -0.1576 -0.1449 0.1627 0.1731 0.1940 0.2865 0.3705 0.3901 0.7392 0.7498 4.0866 4.0883 4.6707 4.6736 4.9972 5.0007 5.8999 5.9234 6.9619 6.9882 7.1918 7.1957 7.1983 7.2217 7.2923 7.3036 k = 0.2695 0.4668 0.1907 ( 8210 PWs) bands (ev): -37.8509 -37.8509 -36.0575 -36.0575 -36.0429 -36.0429 -19.0850 -19.0828 -18.7180 -18.7164 -18.6897 -18.6856 -17.3430 -17.3428 -17.2914 -17.2911 -16.9875 -16.9871 -16.9193 -16.9189 -16.9061 -16.9061 -16.8984 -16.8977 -11.2702 -11.2692 -11.2253 -11.2249 -0.4646 -0.4633 -0.3039 -0.2278 -0.1567 -0.1432 0.1633 0.1701 0.2185 0.3071 0.3908 0.4103 0.7407 0.7510 4.0840 4.0859 4.7213 4.7243 4.9801 4.9834 5.8799 5.9028 6.9550 6.9809 7.1689 7.1915 7.1981 7.1987 7.2750 7.2864 k = 0.2624 0.4545 0.1907 ( 8208 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0848 -19.0827 -18.7180 -18.7165 -18.6893 -18.6854 -17.3429 -17.3427 -17.2912 -17.2909 -16.9874 -16.9870 -16.9191 -16.9186 -16.9060 -16.9059 -16.8980 -16.8973 -11.2721 -11.2712 -11.2265 -11.2262 -0.4835 -0.4812 -0.3037 -0.2335 -0.1555 -0.1414 0.1628 0.1678 0.2450 0.3283 0.4118 0.4312 0.7425 0.7524 4.0864 4.0884 4.7723 4.7755 4.9613 4.9644 5.8597 5.8818 6.9465 6.9725 7.1361 7.1621 7.1938 7.1952 7.2625 7.2726 k = 0.2553 0.4422 0.1907 ( 8194 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0429 -36.0429 -19.0846 -19.0826 -18.7179 -18.7165 -18.6888 -18.6851 -17.3429 -17.3426 -17.2910 -17.2907 -16.9873 -16.9869 -16.9188 -16.9184 -16.9058 -16.9058 -16.8976 -16.8970 -11.2743 -11.2733 -11.2279 -11.2276 -0.5038 -0.5006 -0.3018 -0.2368 -0.1540 -0.1397 0.1629 0.1665 0.2717 0.3497 0.4332 0.4525 0.7446 0.7541 4.0938 4.0959 4.8237 4.8269 4.9408 4.9439 5.8393 5.8608 6.9360 6.9631 7.1005 7.1257 7.1823 7.1845 7.2587 7.2657 k = 0.2482 0.4299 0.1907 ( 8194 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0845 -19.0825 -18.7179 -18.7165 -18.6883 -18.6847 -17.3428 -17.3426 -17.2908 -17.2905 -16.9872 -16.9868 -16.9185 -16.9181 -16.9056 -16.9056 -16.8972 -16.8966 -11.2767 -11.2758 -11.2294 -11.2291 -0.5252 -0.5214 -0.2981 -0.2379 -0.1522 -0.1381 0.1640 0.1662 0.2981 0.3712 0.4549 0.4742 0.7473 0.7563 4.1061 4.1083 4.8751 4.8780 4.9190 4.9225 5.8191 5.8397 6.9226 6.9522 7.0643 7.0863 7.1614 7.1671 7.2621 7.2661 k = 0.2411 0.4177 0.1907 ( 8192 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0842 -19.0824 -18.7178 -18.7165 -18.6878 -18.6844 -17.3427 -17.3425 -17.2905 -17.2902 -16.9871 -16.9867 -16.9181 -16.9177 -16.9054 -16.9054 -16.8967 -16.8962 -11.2792 -11.2784 -11.2311 -11.2308 -0.5478 -0.5435 -0.2927 -0.2368 -0.1502 -0.1364 0.1664 0.1671 0.3241 0.3926 0.4770 0.4962 0.7503 0.7588 4.1232 4.1255 4.8950 4.8961 4.9273 4.9325 5.7990 5.8187 6.9042 6.9382 7.0307 7.0469 7.1364 7.1444 7.2692 7.2712 k = 0.2340 0.4054 0.1907 ( 8194 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0430 -36.0430 -19.0840 -19.0823 -18.7177 -18.7165 -18.6873 -18.6840 -17.3426 -17.3424 -17.2902 -17.2899 -16.9869 -16.9866 -16.9177 -16.9173 -16.9053 -16.9053 -16.8963 -16.8958 -11.2820 -11.2812 -11.2329 -11.2326 -0.5714 -0.5668 -0.2856 -0.2338 -0.1480 -0.1347 0.1695 0.1703 0.3495 0.4136 0.4992 0.5184 0.7539 0.7618 4.1451 4.1475 4.8704 4.8720 4.9787 4.9833 5.7791 5.7978 6.8783 6.9177 7.0033 7.0121 7.1094 7.1188 7.2777 7.2785 k = 0.2270 0.3931 0.1907 ( 8206 PWs) bands (ev): -37.8511 -37.8511 -36.0577 -36.0577 -36.0431 -36.0431 -19.0838 -19.0821 -18.7176 -18.7165 -18.6867 -18.6837 -17.3425 -17.3423 -17.2900 -17.2897 -16.9868 -16.9865 -16.9173 -16.9169 -16.9051 -16.9051 -16.8958 -16.8953 -11.2850 -11.2843 -11.2348 -11.2346 -0.5959 -0.5913 -0.2772 -0.2294 -0.1454 -0.1326 0.1735 0.1758 0.3742 0.4343 0.5216 0.5407 0.7580 0.7653 4.1716 4.1741 4.8443 4.8458 5.0300 5.0346 5.7595 5.7772 6.8439 6.8863 6.9840 6.9874 7.0814 7.0917 7.2865 7.2866 k = 0.2199 0.3808 0.1907 ( 8204 PWs) bands (ev): -37.8511 -37.8511 -36.0578 -36.0578 -36.0431 -36.0431 -19.0835 -19.0820 -18.7175 -18.7164 -18.6861 -18.6833 -17.3424 -17.3423 -17.2896 -17.2894 -16.9866 -16.9863 -16.9168 -16.9165 -16.9050 -16.9049 -16.8953 -16.8948 -11.2882 -11.2875 -11.2369 -11.2366 -0.6214 -0.6167 -0.2677 -0.2241 -0.1422 -0.1297 0.1793 0.1833 0.3981 0.4543 0.5441 0.5630 0.7627 0.7693 4.2027 4.2051 4.8169 4.8182 5.0810 5.0856 5.7403 5.7568 6.8029 6.8449 6.9718 6.9731 7.0531 7.0638 7.2940 7.2950 k = 0.2128 0.3685 0.1907 ( 8196 PWs) bands (ev): -37.8512 -37.8512 -36.0578 -36.0578 -36.0432 -36.0432 -19.0833 -19.0818 -18.7174 -18.7164 -18.6855 -18.6828 -17.3423 -17.3422 -17.2893 -17.2890 -16.9864 -16.9862 -16.9162 -16.9160 -16.9048 -16.9048 -16.8947 -16.8943 -11.2916 -11.2909 -11.2391 -11.2388 -0.6475 -0.6430 -0.2579 -0.2189 -0.1380 -0.1252 0.1872 0.1928 0.4211 0.4737 0.5666 0.5853 0.7679 0.7738 4.2380 4.2405 4.7881 4.7891 5.1314 5.1361 5.7215 5.7368 6.7582 6.7980 6.9645 6.9654 7.0248 7.0356 7.3000 7.3019 k = 0.2057 0.3562 0.1907 ( 8208 PWs) bands (ev): -37.8512 -37.8512 -36.0579 -36.0579 -36.0432 -36.0432 -19.0830 -19.0816 -18.7173 -18.7163 -18.6849 -18.6824 -17.3422 -17.3421 -17.2889 -17.2887 -16.9863 -16.9860 -16.9157 -16.9154 -16.9046 -16.9046 -16.8941 -16.8937 -11.2951 -11.2945 -11.2413 -11.2411 -0.6744 -0.6700 -0.2487 -0.2148 -0.1320 -0.1181 0.1973 0.2044 0.4433 0.4924 0.5890 0.6074 0.7736 0.7788 4.2775 4.2800 4.7579 4.7587 5.1811 5.1859 5.7031 5.7172 6.7120 6.7489 6.9600 6.9616 6.9972 7.0073 7.3032 7.3062 k = 0.1986 0.3440 0.1907 ( 8212 PWs) bands (ev): -37.8513 -37.8513 -36.0579 -36.0579 -36.0432 -36.0432 -19.0827 -19.0815 -18.7172 -18.7163 -18.6843 -18.6819 -17.3421 -17.3420 -17.2886 -17.2884 -16.9861 -16.9858 -16.9151 -16.9149 -16.9045 -16.9044 -16.8935 -16.8932 -11.2988 -11.2982 -11.2437 -11.2435 -0.7018 -0.6977 -0.2413 -0.2130 -0.1231 -0.1075 0.2097 0.2181 0.4646 0.5103 0.6114 0.6295 0.7799 0.7843 4.3209 4.3235 4.7262 4.7268 5.2299 5.2348 5.6854 5.6982 6.6654 6.6993 6.9544 6.9605 6.9736 6.9790 7.3026 7.3070 k = 0.1915 0.3317 0.1907 ( 8210 PWs) bands (ev): -37.8513 -37.8513 -36.0579 -36.0579 -36.0433 -36.0433 -19.0824 -19.0813 -18.7171 -18.7162 -18.6836 -18.6814 -17.3420 -17.3419 -17.2882 -17.2880 -16.9858 -16.9856 -16.9145 -16.9143 -16.9043 -16.9043 -16.8929 -16.8926 -11.3026 -11.3021 -11.2462 -11.2460 -0.7297 -0.7258 -0.2366 -0.2139 -0.1104 -0.0929 0.2245 0.2341 0.4850 0.5274 0.6336 0.6513 0.7867 0.7902 4.3681 4.3707 4.6931 4.6935 5.2778 5.2826 5.6685 5.6799 6.6193 6.6502 6.9350 6.9508 6.9616 6.9660 7.2974 7.3033 k = 0.1844 0.3194 0.1907 ( 8202 PWs) bands (ev): -37.8514 -37.8514 -36.0580 -36.0580 -36.0433 -36.0433 -19.0821 -19.0811 -18.7169 -18.7161 -18.6829 -18.6809 -17.3419 -17.3418 -17.2878 -17.2876 -16.9856 -16.9854 -16.9138 -16.9136 -16.9042 -16.9041 -16.8923 -16.8920 -11.3066 -11.3061 -11.2487 -11.2485 -0.7579 -0.7543 -0.2352 -0.2174 -0.0935 -0.0745 0.2416 0.2521 0.5045 0.5438 0.6556 0.6728 0.7940 0.7966 4.4188 4.4214 4.6584 4.6586 5.3245 5.3293 5.6524 5.6625 6.5741 6.6020 6.9086 6.9229 6.9642 6.9673 7.2881 7.2953 k = 0.1773 0.3071 0.1907 ( 8210 PWs) bands (ev): -37.8514 -37.8514 -36.0581 -36.0581 -36.0434 -36.0434 -19.0818 -19.0809 -18.7168 -18.7160 -18.6822 -18.6804 -17.3418 -17.3417 -17.2874 -17.2872 -16.9854 -16.9852 -16.9132 -16.9130 -16.9040 -16.9040 -16.8916 -16.8914 -11.3106 -11.3102 -11.2513 -11.2511 -0.7863 -0.7830 -0.2371 -0.2233 -0.0726 -0.0527 0.2610 0.2721 0.5231 0.5594 0.6773 0.6940 0.8016 0.8034 4.4728 4.4755 4.6220 4.6221 5.3699 5.3747 5.6374 5.6461 6.5301 6.5550 6.8815 6.8951 6.9683 6.9710 7.2756 7.2840 k = 0.1702 0.2948 0.1907 ( 8214 PWs) bands (ev): -37.8514 -37.8514 -36.0581 -36.0581 -36.0434 -36.0434 -19.0815 -19.0807 -18.7166 -18.7160 -18.6816 -18.6799 -17.3417 -17.3416 -17.2870 -17.2869 -16.9852 -16.9850 -16.9125 -16.9123 -16.9039 -16.9038 -16.8910 -16.8908 -11.3147 -11.3143 -11.2539 -11.2538 -0.8147 -0.8118 -0.2417 -0.2310 -0.0482 -0.0280 0.2825 0.2941 0.5411 0.5744 0.6988 0.7148 0.8096 0.8105 4.5299 4.5326 4.5841 4.5841 5.4139 5.4186 5.6235 5.6309 6.4876 6.5096 6.8543 6.8675 6.9734 6.9761 7.2614 7.2705 k = 0.1631 0.2825 0.1907 ( 8190 PWs) bands (ev): -37.8515 -37.8515 -36.0582 -36.0582 -36.0435 -36.0435 -19.0812 -19.0804 -18.7164 -18.7158 -18.6808 -18.6793 -17.3415 -17.3414 -17.2866 -17.2864 -16.9849 -16.9847 -16.9117 -16.9116 -16.9037 -16.9037 -16.8903 -16.8901 -11.3189 -11.3186 -11.2566 -11.2565 -0.8431 -0.8405 -0.2484 -0.2401 -0.0209 -0.0009 0.3058 0.3177 0.5583 0.5889 0.7201 0.7353 0.8179 0.8180 4.5444 4.5445 4.5900 4.5926 5.4564 5.4610 5.6107 5.6170 6.4465 6.4657 6.8271 6.8399 6.9794 6.9820 7.2467 7.2561 k = 0.1560 0.2702 0.1907 ( 8202 PWs) bands (ev): -37.8515 -37.8515 -36.0582 -36.0582 -36.0435 -36.0435 -19.0809 -19.0802 -18.7163 -18.7157 -18.6802 -18.6788 -17.3414 -17.3413 -17.2862 -17.2860 -16.9846 -16.9845 -16.9110 -16.9109 -16.9036 -16.9035 -16.8896 -16.8895 -11.3232 -11.3228 -11.2593 -11.2592 -0.8713 -0.8690 -0.2569 -0.2504 0.0088 0.0282 0.3309 0.3429 0.5751 0.6029 0.7410 0.7554 0.8256 0.8264 4.5032 4.5034 4.6525 4.6551 5.4973 5.5017 5.5992 5.6043 6.4070 6.4236 6.8000 6.8124 6.9857 6.9882 7.2320 7.2416 k = 0.1489 0.2580 0.1907 ( 8218 PWs) bands (ev): -37.8516 -37.8516 -36.0583 -36.0583 -36.0436 -36.0436 -19.0806 -19.0800 -18.7161 -18.7156 -18.6795 -18.6783 -17.3413 -17.3412 -17.2858 -17.2857 -16.9844 -16.9843 -16.9103 -16.9102 -16.9035 -16.9034 -16.8890 -16.8888 -11.3274 -11.3271 -11.2620 -11.2619 -0.8992 -0.8972 -0.2666 -0.2616 0.0404 0.0589 0.3575 0.3693 0.5914 0.6167 0.7615 0.7750 0.8334 0.8350 4.4606 4.4608 4.7173 4.7199 5.5365 5.5405 5.5890 5.5928 6.3693 6.3833 6.7729 6.7849 6.9921 6.9945 7.2179 7.2276 k = 0.1418 0.2457 0.1907 ( 8218 PWs) bands (ev): -37.8516 -37.8516 -36.0583 -36.0583 -36.0436 -36.0436 -19.0803 -19.0798 -18.7160 -18.7155 -18.6788 -18.6777 -17.3412 -17.3411 -17.2853 -17.2852 -16.9842 -16.9841 -16.9096 -16.9095 -16.9033 -16.9033 -16.8883 -16.8882 -11.3316 -11.3314 -11.2648 -11.2647 -0.9266 -0.9248 -0.2773 -0.2734 0.0733 0.0908 0.3853 0.3968 0.6075 0.6303 0.7818 0.7941 0.8412 0.8437 4.4167 4.4169 4.7841 4.7867 5.5736 5.5744 5.5828 5.5829 6.3334 6.3452 6.7458 6.7572 6.9980 7.0003 7.2048 7.2143 k = 0.1348 0.2334 0.1907 ( 8226 PWs) bands (ev): -37.8517 -37.8517 -36.0584 -36.0584 -36.0437 -36.0437 -19.0800 -19.0795 -18.7158 -18.7154 -18.6781 -18.6772 -17.3411 -17.3410 -17.2849 -17.2848 -16.9839 -16.9838 -16.9089 -16.9088 -16.9032 -16.9031 -16.8877 -16.8876 -11.3359 -11.3356 -11.2675 -11.2674 -0.9535 -0.9520 -0.2887 -0.2856 0.1072 0.1236 0.4140 0.4251 0.6235 0.6440 0.8017 0.8127 0.8491 0.8525 4.3717 4.3718 4.8526 4.8553 5.5702 5.5729 5.6098 5.6140 6.2996 6.3093 6.7186 6.7296 7.0032 7.0053 7.1927 7.2018 k = 0.1277 0.2211 0.1907 ( 8238 PWs) bands (ev): -37.8517 -37.8517 -36.0584 -36.0584 -36.0437 -36.0437 -19.0797 -19.0793 -18.7157 -18.7153 -18.6774 -18.6766 -17.3410 -17.3409 -17.2845 -17.2844 -16.9837 -16.9836 -16.9082 -16.9082 -16.9030 -16.9029 -16.8871 -16.8869 -11.3400 -11.3398 -11.2701 -11.2701 -0.9797 -0.9784 -0.3005 -0.2981 0.1416 0.1567 0.4433 0.4539 0.6397 0.6579 0.8212 0.8305 0.8570 0.8615 4.3257 4.3258 4.9225 4.9252 5.5624 5.5641 5.6436 5.6474 6.2682 6.2759 6.6914 6.7017 7.0072 7.0090 7.1817 7.1891 k = 0.1206 0.2088 0.1907 ( 8242 PWs) bands (ev): -37.8518 -37.8518 -36.0585 -36.0585 -36.0438 -36.0438 -19.0795 -19.0791 -18.7155 -18.7152 -18.6768 -18.6761 -17.3409 -17.3408 -17.2841 -17.2841 -16.9834 -16.9834 -16.9076 -16.9075 -16.9028 -16.9027 -16.8864 -16.8863 -11.3441 -11.3440 -11.2727 -11.2727 -1.0050 -1.0040 -0.3126 -0.3108 0.1761 0.1899 0.4730 0.4830 0.6563 0.6722 0.8402 0.8473 0.8650 0.8710 4.2790 4.2790 4.9935 4.9961 5.5546 5.5556 5.6755 5.6790 6.2394 6.2455 6.6641 6.6738 7.0095 7.0111 7.1694 7.1710 k = 0.1135 0.1965 0.1907 ( 8242 PWs) bands (ev): -37.8518 -37.8518 -36.0585 -36.0585 -36.0438 -36.0438 -19.0792 -19.0789 -18.7154 -18.7151 -18.6761 -18.6755 -17.3408 -17.3407 -17.2837 -17.2837 -16.9832 -16.9832 -16.9069 -16.9069 -16.9026 -16.9025 -16.8858 -16.8857 -11.3481 -11.3480 -11.2753 -11.2753 -1.0295 -1.0286 -0.3248 -0.3234 0.2102 0.2226 0.5027 0.5119 0.6735 0.6872 0.8582 0.8622 0.8735 0.8819 4.2319 4.2319 5.0653 5.0678 5.5467 5.5471 5.7056 5.7088 6.2137 6.2183 6.6367 6.6457 7.0100 7.0112 7.1415 7.1457 k = 0.1064 0.1843 0.1907 ( 8246 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0789 -19.0787 -18.7152 -18.7150 -18.6755 -18.6750 -17.3407 -17.3406 -17.2834 -17.2833 -16.9830 -16.9829 -16.9064 -16.9064 -16.9023 -16.9023 -16.8852 -16.8851 -11.3520 -11.3519 -11.2778 -11.2778 -1.0530 -1.0523 -0.3370 -0.3359 0.2435 0.2544 0.5321 0.5405 0.6914 0.7031 0.8732 0.8743 0.8845 0.8949 4.1846 4.1847 5.1373 5.1398 5.5383 5.5383 5.7338 5.7367 6.1912 6.1947 6.6092 6.6175 7.0084 7.0091 7.1148 7.1181 k = 0.0993 0.1720 0.1907 ( 8246 PWs) bands (ev): -37.8519 -37.8519 -36.0586 -36.0586 -36.0439 -36.0439 -19.0787 -19.0785 -18.7151 -18.7149 -18.6749 -18.6745 -17.3406 -17.3406 -17.2830 -17.2830 -16.9827 -16.9827 -16.9059 -16.9059 -16.9020 -16.9020 -16.8846 -16.8845 -11.3558 -11.3557 -11.2802 -11.2802 -1.0755 -1.0749 -0.3489 -0.3481 0.2754 0.2848 0.5608 0.5683 0.7102 0.7199 0.8830 0.8837 0.9002 0.9100 4.1375 4.1376 5.2094 5.2118 5.5287 5.5290 5.7601 5.7627 6.1725 6.1749 6.5817 6.5893 7.0044 7.0047 7.0895 7.0920 k = 0.0922 0.1597 0.1907 ( 8258 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0784 -19.0783 -18.7150 -18.7149 -18.6743 -18.6740 -17.3405 -17.3405 -17.2826 -17.2826 -16.9825 -16.9825 -16.9055 -16.9055 -16.9017 -16.9017 -16.8840 -16.8840 -11.3594 -11.3593 -11.2825 -11.2825 -1.0967 -1.0962 -0.3606 -0.3599 0.3054 0.3134 0.5886 0.5952 0.7300 0.7378 0.8904 0.8917 0.9178 0.9260 4.0909 4.0911 5.2809 5.2833 5.5183 5.5188 5.7845 5.7868 6.1575 6.1592 6.5542 6.5609 6.9980 6.9982 7.0657 7.0674 k = 0.0851 0.1474 0.1907 ( 8258 PWs) bands (ev): -37.8520 -37.8520 -36.0587 -36.0587 -36.0440 -36.0440 -19.0782 -19.0781 -18.7149 -18.7148 -18.6738 -18.6735 -17.3404 -17.3404 -17.2823 -17.2823 -16.9823 -16.9823 -16.9051 -16.9051 -16.9014 -16.9013 -16.8835 -16.8834 -11.3628 -11.3627 -11.2847 -11.2846 -1.1167 -1.1163 -0.3718 -0.3713 0.3333 0.3399 0.6151 0.6208 0.7508 0.7568 0.8972 0.8988 0.9355 0.9422 4.0453 4.0454 5.3516 5.3539 5.5069 5.5076 5.8069 5.8089 6.1466 6.1476 6.5266 6.5325 6.9891 6.9899 7.0436 7.0445 k = 0.0780 0.1351 0.1907 ( 8252 PWs) bands (ev): -37.8520 -37.8520 -36.0588 -36.0588 -36.0441 -36.0441 -19.0780 -19.0779 -18.7148 -18.7147 -18.6732 -18.6730 -17.3403 -17.3403 -17.2820 -17.2820 -16.9821 -16.9821 -16.9048 -16.9048 -16.9010 -16.9009 -16.8829 -16.8829 -11.3660 -11.3660 -11.2867 -11.2867 -1.1353 -1.1350 -0.3824 -0.3821 0.3587 0.3639 0.6402 0.6449 0.7723 0.7766 0.9035 0.9054 0.9530 0.9584 4.0009 4.0010 5.4205 5.4229 5.4948 5.4958 5.8273 5.8290 6.1395 6.1401 6.4991 6.5042 6.9784 6.9797 7.0231 7.0232 k = 0.0709 0.1228 0.1907 ( 8260 PWs) bands (ev): -37.8521 -37.8521 -36.0588 -36.0588 -36.0441 -36.0441 -19.0778 -19.0777 -18.7147 -18.7146 -18.6728 -18.6726 -17.3402 -17.3402 -17.2817 -17.2817 -16.9820 -16.9819 -16.9046 -16.9046 -16.9006 -16.9006 -16.8825 -16.8824 -11.3690 -11.3690 -11.2886 -11.2886 -1.1526 -1.1524 -0.3925 -0.3922 0.3814 0.3854 0.6635 0.6673 0.7942 0.7971 0.9097 0.9116 0.9701 0.9743 3.9582 3.9584 5.4752 5.4769 5.4952 5.4955 5.8457 5.8472 6.1359 6.1363 6.4716 6.4759 6.9665 6.9681 7.0035 7.0040 k = 0.0638 0.1106 0.1907 ( 8262 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0441 -36.0441 -19.0776 -19.0776 -18.7146 -18.7145 -18.6723 -18.6722 -17.3402 -17.3402 -17.2815 -17.2815 -16.9818 -16.9818 -16.9045 -16.9045 -16.9002 -16.9002 -16.8820 -16.8820 -11.3718 -11.3718 -11.2904 -11.2904 -1.1684 -1.1682 -0.4018 -0.4016 0.4013 0.4042 0.6848 0.6877 0.8160 0.8177 0.9158 0.9178 0.9866 0.9898 3.9177 3.9178 5.4664 5.4665 5.5560 5.5573 5.8621 5.8634 6.1356 6.1358 6.4443 6.4478 6.9539 6.9558 6.9850 6.9860 k = 0.0567 0.0983 0.1907 ( 8250 PWs) bands (ev): -37.8521 -37.8521 -36.0589 -36.0589 -36.0442 -36.0442 -19.0775 -19.0774 -18.7145 -18.7144 -18.6719 -18.6718 -17.3401 -17.3401 -17.2812 -17.2812 -16.9816 -16.9816 -16.9043 -16.9043 -16.8998 -16.8998 -16.8816 -16.8816 -11.3743 -11.3743 -11.2920 -11.2920 -1.1826 -1.1825 -0.4104 -0.4103 0.4185 0.4205 0.7039 0.7061 0.8370 0.8377 0.9221 0.9240 1.0024 1.0047 3.8797 3.8798 5.4528 5.4530 5.6184 5.6197 5.8765 5.8776 6.1380 6.1381 6.4173 6.4199 6.9415 6.9434 6.9678 6.9690 k = 0.0496 0.0860 0.1907 ( 8250 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0773 -19.0773 -18.7144 -18.7144 -18.6715 -18.6715 -17.3400 -17.3400 -17.2810 -17.2810 -16.9815 -16.9815 -16.9042 -16.9042 -16.8994 -16.8994 -16.8812 -16.8812 -11.3766 -11.3766 -11.2935 -11.2935 -1.1954 -1.1953 -0.4181 -0.4180 0.4330 0.4344 0.7208 0.7223 0.8562 0.8563 0.9290 0.9307 1.0171 1.0187 3.8447 3.8448 5.4393 5.4395 5.6777 5.6789 5.8889 5.8898 6.1424 6.1425 6.3905 6.3924 6.9297 6.9315 6.9516 6.9528 k = 0.0426 0.0737 0.1907 ( 8246 PWs) bands (ev): -37.8522 -37.8522 -36.0589 -36.0589 -36.0442 -36.0442 -19.0772 -19.0772 -18.7143 -18.7143 -18.6712 -18.6712 -17.3400 -17.3400 -17.2808 -17.2808 -16.9814 -16.9813 -16.9041 -16.9041 -16.8991 -16.8991 -16.8809 -16.8809 -11.3786 -11.3786 -11.2947 -11.2947 -1.2065 -1.2064 -0.4249 -0.4248 0.4451 0.4459 0.7354 0.7364 0.8724 0.8726 0.9367 0.9381 1.0306 1.0316 3.8132 3.8132 5.4266 5.4268 5.7333 5.7343 5.8994 5.9001 6.1482 6.1483 6.3642 6.3656 6.9190 6.9206 6.9365 6.9377 k = 0.0355 0.0614 0.1907 ( 8238 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0442 -36.0442 -19.0771 -19.0771 -18.7143 -18.7143 -18.6709 -18.6709 -17.3400 -17.3399 -17.2806 -17.2806 -16.9813 -16.9813 -16.9040 -16.9040 -16.8987 -16.8987 -16.8807 -16.8806 -11.3803 -11.3803 -11.2958 -11.2958 -1.2159 -1.2159 -0.4307 -0.4307 0.4549 0.4554 0.7477 0.7483 0.8854 0.8857 0.9454 0.9464 1.0425 1.0431 3.7856 3.7856 5.4151 5.4152 5.7842 5.7850 5.9081 5.9086 6.1548 6.1548 6.3388 6.3397 6.9097 6.9110 6.9228 6.9239 k = 0.0284 0.0491 0.1907 ( 8242 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0770 -19.0770 -18.7142 -18.7142 -18.6707 -18.6707 -17.3399 -17.3399 -17.2805 -17.2805 -16.9812 -16.9812 -16.9040 -16.9040 -16.8985 -16.8985 -16.8804 -16.8804 -11.3817 -11.3817 -11.2967 -11.2967 -1.2237 -1.2237 -0.4355 -0.4355 0.4626 0.4629 0.7576 0.7579 0.8949 0.8951 0.9547 0.9553 1.0527 1.0530 3.7624 3.7624 5.4051 5.4052 5.8294 5.8300 5.9151 5.9155 6.1613 6.1613 6.3148 6.3152 6.9018 6.9029 6.9109 6.9118 k = 0.0213 0.0369 0.1907 ( 8232 PWs) bands (ev): -37.8522 -37.8522 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6705 -18.6705 -17.3399 -17.3399 -17.2804 -17.2804 -16.9811 -16.9811 -16.9039 -16.9039 -16.8983 -16.8983 -16.8802 -16.8802 -11.3828 -11.3828 -11.2974 -11.2974 -1.2298 -1.2298 -0.4393 -0.4393 0.4685 0.4686 0.7653 0.7654 0.9014 0.9015 0.9635 0.9637 1.0609 1.0610 3.7439 3.7439 5.3970 5.3970 5.8676 5.8680 5.9207 5.9211 6.1672 6.1672 6.2931 6.2933 6.8957 6.8965 6.9011 6.9018 k = 0.0142 0.0246 0.1907 ( 8228 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0769 -19.0769 -18.7142 -18.7142 -18.6704 -18.6704 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8982 -16.8982 -16.8801 -16.8801 -11.3836 -11.3836 -11.2979 -11.2979 -1.2341 -1.2341 -0.4420 -0.4420 0.4725 0.4725 0.7707 0.7707 0.9055 0.9055 0.9706 0.9707 1.0668 1.0669 3.7304 3.7304 5.3911 5.3911 5.8964 5.8966 5.9258 5.9260 6.1719 6.1719 6.2751 6.2752 6.8912 6.8918 6.8938 6.8943 k = 0.0071 0.0123 0.1907 ( 8232 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7141 -18.7141 -18.6703 -18.6703 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8981 -16.8981 -16.8801 -16.8801 -11.3840 -11.3840 -11.2982 -11.2982 -1.2368 -1.2368 -0.4437 -0.4437 0.4749 0.4749 0.7739 0.7739 0.9077 0.9077 0.9752 0.9752 1.0705 1.0705 3.7222 3.7222 5.3874 5.3874 5.9124 5.9125 5.9314 5.9315 6.1750 6.1750 6.2630 6.2630 6.8886 6.8888 6.8894 6.8896 k = 0.0000 0.0000 0.1907 ( 8234 PWs) bands (ev): -37.8523 -37.8523 -36.0590 -36.0590 -36.0443 -36.0443 -19.0768 -19.0768 -18.7141 -18.7141 -18.6703 -18.6703 -17.3398 -17.3398 -17.2803 -17.2803 -16.9810 -16.9810 -16.9039 -16.9039 -16.8980 -16.8980 -16.8800 -16.8800 -11.3842 -11.3842 -11.2983 -11.2983 -1.2376 -1.2376 -0.4442 -0.4442 0.4757 0.4757 0.7750 0.7750 0.9084 0.9084 0.9768 0.9768 1.0717 1.0717 3.7195 3.7195 5.3862 5.3862 5.9166 5.9166 5.9348 5.9348 6.1761 6.1761 6.2586 6.2586 6.8877 6.8877 6.8880 6.8880 k = 0.5000 0.2887 0.1907 ( 8164 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3427 -17.3427 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9033 -16.9033 -16.8963 -16.8963 -11.2754 -11.2754 -11.2289 -11.2289 -0.5301 -0.5301 -0.4495 -0.4495 -0.1937 -0.1937 0.0924 0.0924 0.5321 0.5321 0.6684 0.6684 0.8058 0.8058 3.7394 3.7394 4.8860 4.8860 5.5585 5.5585 5.5705 5.5705 6.5855 6.5855 6.8618 6.8618 7.1990 7.1990 7.2924 7.2924 k = 0.5000 0.2887 0.1771 ( 8168 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2754 -11.2754 -11.2289 -11.2289 -0.5339 -0.5298 -0.4502 -0.4442 -0.1945 -0.1937 0.0910 0.0933 0.5316 0.5327 0.6683 0.6685 0.8059 0.8060 3.7389 3.7390 4.8867 4.8868 5.5582 5.5585 5.5704 5.5705 6.5831 6.5845 6.8590 6.8608 7.2008 7.2016 7.2956 7.2966 k = 0.5000 0.2887 0.1635 ( 8182 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6855 -18.6855 -17.3428 -17.3428 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9033 -16.9033 -16.8964 -16.8964 -11.2754 -11.2754 -11.2289 -11.2289 -0.5401 -0.5331 -0.4461 -0.4354 -0.1962 -0.1946 0.0892 0.0936 0.5312 0.5333 0.6682 0.6685 0.8061 0.8063 3.7376 3.7379 4.8889 4.8890 5.5578 5.5583 5.5704 5.5705 6.5774 6.5801 6.8528 6.8561 7.2065 7.2082 7.3063 7.3083 k = 0.5000 0.2887 0.1498 ( 8164 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2754 -11.2754 -11.2289 -11.2289 -0.5475 -0.5390 -0.4382 -0.4244 -0.1987 -0.1962 0.0870 0.0934 0.5310 0.5340 0.6681 0.6686 0.8065 0.8068 3.7356 3.7360 4.8924 4.8926 5.5571 5.5579 5.5703 5.5705 6.5688 6.5724 6.8444 6.8486 7.2154 7.2177 7.3239 7.3271 k = 0.5000 0.2887 0.1362 ( 8178 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9033 -16.9033 -16.8964 -16.8964 -11.2754 -11.2754 -11.2289 -11.2288 -0.5552 -0.5463 -0.4279 -0.4119 -0.2020 -0.1987 0.0845 0.0926 0.5310 0.5348 0.6680 0.6686 0.8071 0.8075 3.7330 3.7335 4.8971 4.8973 5.5563 5.5573 5.5703 5.5705 6.5575 6.5617 6.8348 6.8395 7.2260 7.2289 7.3478 7.3524 k = 0.5000 0.2887 0.1226 ( 8174 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8964 -11.2754 -11.2754 -11.2288 -11.2288 -0.5629 -0.5541 -0.4160 -0.3986 -0.2062 -0.2019 0.0820 0.0912 0.5311 0.5354 0.6679 0.6686 0.8078 0.8083 3.7299 3.7305 4.9028 4.9031 5.5553 5.5564 5.5702 5.5704 6.5443 6.5486 6.8254 6.8300 7.2373 7.2406 7.3771 7.3829 k = 0.5000 0.2887 0.1090 ( 8172 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6855 -18.6855 -17.3428 -17.3428 -17.2908 -17.2908 -16.9875 -16.9875 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8964 -11.2754 -11.2754 -11.2288 -11.2288 -0.5700 -0.5619 -0.4031 -0.3849 -0.2113 -0.2059 0.0794 0.0894 0.5314 0.5361 0.6679 0.6686 0.8087 0.8092 3.7265 3.7271 4.9093 4.9095 5.5542 5.5554 5.5702 5.5704 6.5296 6.5336 6.8170 6.8211 7.2484 7.2519 7.4103 7.4174 k = 0.5000 0.2887 0.0954 ( 8176 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6855 -18.6855 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9875 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8964 -11.2754 -11.2754 -11.2288 -11.2288 -0.5766 -0.5692 -0.3897 -0.3710 -0.2172 -0.2106 0.0770 0.0872 0.5319 0.5366 0.6678 0.6686 0.8096 0.8101 3.7229 3.7235 4.9161 4.9164 5.5530 5.5543 5.5701 5.5703 6.5140 6.5176 6.8100 6.8135 7.2586 7.2623 7.4458 7.4539 k = 0.5000 0.2887 0.0817 ( 8194 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6855 -18.6855 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8964 -11.2754 -11.2754 -11.2288 -11.2288 -0.5824 -0.5759 -0.3760 -0.3572 -0.2238 -0.2161 0.0748 0.0847 0.5324 0.5370 0.6678 0.6686 0.8105 0.8110 3.7193 3.7199 4.9231 4.9234 5.5518 5.5531 5.5701 5.5702 6.4983 6.5014 6.8046 6.8074 7.2675 7.2712 7.4815 7.4903 k = 0.5000 0.2887 0.0681 ( 8196 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6855 -18.6855 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8964 -11.2755 -11.2755 -11.2288 -11.2288 -0.5873 -0.5818 -0.3623 -0.3438 -0.2311 -0.2223 0.0729 0.0821 0.5331 0.5372 0.6678 0.6685 0.8113 0.8118 3.7159 3.7165 4.9298 4.9301 5.5507 5.5518 5.5700 5.5702 6.4834 6.4858 6.8008 6.8030 7.2751 7.2785 7.5153 7.5240 k = 0.5000 0.2887 0.0545 ( 8180 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6855 -18.6855 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8964 -11.2755 -11.2755 -11.2288 -11.2288 -0.5914 -0.5869 -0.3489 -0.3311 -0.2388 -0.2292 0.0715 0.0795 0.5338 0.5374 0.6678 0.6684 0.8122 0.8126 3.7130 3.7134 4.9360 4.9362 5.5496 5.5506 5.5700 5.5701 6.4699 6.4718 6.7984 6.8000 7.2811 7.2841 7.5447 7.5526 k = 0.5000 0.2887 0.0409 ( 8180 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6855 -18.6855 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8964 -16.8964 -11.2755 -11.2755 -11.2288 -11.2288 -0.5944 -0.5910 -0.3360 -0.3197 -0.2465 -0.2365 0.0706 0.0769 0.5345 0.5373 0.6679 0.6683 0.8128 0.8132 3.7105 3.7109 4.9411 4.9413 5.5488 5.5496 5.5700 5.5701 6.4586 6.4600 6.7970 6.7981 7.2857 7.2881 7.5679 7.5732 k = 0.5000 0.2887 0.0272 ( 8170 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2755 -11.2755 -11.2288 -11.2288 -0.5964 -0.5941 -0.3241 -0.3107 -0.2532 -0.2440 0.0703 0.0747 0.5352 0.5371 0.6679 0.6682 0.8134 0.8136 3.7087 3.7089 4.9451 4.9452 5.5482 5.5487 5.5700 5.5700 6.4501 6.4510 6.7964 6.7970 7.2890 7.2906 7.5738 7.5740 k = 0.5000 0.2887 0.0136 ( 8162 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2755 -11.2755 -11.2288 -11.2288 -0.5974 -0.5963 -0.3140 -0.3058 -0.2571 -0.2511 0.0706 0.0728 0.5358 0.5368 0.6680 0.6681 0.8138 0.8139 3.7076 3.7077 4.9475 4.9476 5.5479 5.5482 5.5700 5.5700 6.4449 6.4453 6.7962 6.7965 7.2910 7.2919 7.5740 7.5752 k = 0.5000 0.2887-0.0000 ( 8162 PWs) bands (ev): -37.8510 -37.8510 -36.0576 -36.0576 -36.0430 -36.0430 -19.0836 -19.0836 -18.7182 -18.7182 -18.6854 -18.6854 -17.3428 -17.3428 -17.2908 -17.2908 -16.9876 -16.9876 -16.9205 -16.9205 -16.9032 -16.9032 -16.8963 -16.8963 -11.2755 -11.2755 -11.2288 -11.2288 -0.5974 -0.5974 -0.3071 -0.3071 -0.2561 -0.2561 0.0714 0.0714 0.5364 0.5364 0.6681 0.6681 0.8139 0.8139 3.7072 3.7072 4.9484 4.9484 5.5479 5.5479 5.5700 5.5700 6.4433 6.4433 6.7962 6.7962 7.2920 7.2920 7.5740 7.5741 k = 0.3333 0.5774-0.0000 ( 8184 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7161 -18.6915 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8989 -11.2625 -11.2613 -11.2202 -11.2198 -0.3831 -0.3764 -0.2846 -0.1831 -0.1480 -0.0873 -0.0028 0.2024 0.2062 0.2249 0.2252 0.2925 0.7427 0.7559 4.2256 4.2278 4.3163 4.3218 5.0653 5.0680 5.9936 6.0161 6.9541 6.9846 7.2970 7.3043 7.3539 7.3687 7.4017 7.4099 k = 0.3333 0.5774 0.0136 ( 8193 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7161 -18.6915 -18.6867 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8989 -11.2625 -11.2613 -11.2202 -11.2198 -0.3831 -0.3764 -0.2845 -0.1829 -0.1481 -0.0876 -0.0027 0.2026 0.2057 0.2249 0.2257 0.2923 0.7426 0.7558 4.2258 4.2280 4.3165 4.3220 5.0653 5.0680 5.9937 6.0162 6.9543 6.9848 7.2968 7.3040 7.3485 7.3625 7.4014 7.4096 k = 0.3333 0.5774 0.0272 ( 8205 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7180 -18.7161 -18.6916 -18.6868 -17.3433 -17.3430 -17.2921 -17.2917 -16.9879 -16.9874 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3832 -0.3763 -0.2841 -0.1822 -0.1482 -0.0884 -0.0022 0.2030 0.2044 0.2248 0.2269 0.2918 0.7423 0.7555 4.2265 4.2287 4.3171 4.3225 5.0652 5.0679 5.9939 6.0166 6.9549 6.9854 7.2960 7.3032 7.3345 7.3466 7.4007 7.4089 k = 0.3333 0.5774 0.0409 ( 8202 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7180 -18.7161 -18.6916 -18.6868 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9068 -16.8998 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3832 -0.3763 -0.2836 -0.1811 -0.1485 -0.0898 -0.0016 0.2025 0.2036 0.2246 0.2287 0.2909 0.7419 0.7550 4.2275 4.2298 4.3181 4.3234 5.0651 5.0679 5.9944 6.0174 6.9560 6.9864 7.2947 7.3020 7.3157 7.3254 7.3996 7.4078 k = 0.3333 0.5774 0.0545 ( 8202 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7180 -18.7161 -18.6916 -18.6868 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9068 -16.8998 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3833 -0.3762 -0.2828 -0.1796 -0.1488 -0.0916 -0.0006 0.2004 0.2044 0.2243 0.2308 0.2898 0.7413 0.7543 4.2290 4.2312 4.3194 4.3245 5.0649 5.0678 5.9951 6.0183 6.9574 6.9877 7.2911 7.2969 7.3004 7.3023 7.3981 7.4062 k = 0.3333 0.5774 0.0681 ( 8199 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7180 -18.7161 -18.6916 -18.6868 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9069 -16.9068 -16.8998 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3834 -0.3762 -0.2820 -0.1777 -0.1492 -0.0939 0.0005 0.1982 0.2055 0.2240 0.2329 0.2885 0.7406 0.7535 4.2307 4.2330 4.3210 4.3259 5.0647 5.0677 5.9959 6.0195 6.9590 6.9893 7.2729 7.2792 7.2924 7.2985 7.3962 7.4042 k = 0.3333 0.5774 0.0817 ( 8187 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0856 -19.0831 -18.7180 -18.7161 -18.6916 -18.6868 -17.3433 -17.3430 -17.2921 -17.2917 -16.9878 -16.9873 -16.9201 -16.9196 -16.9069 -16.9067 -16.8998 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3835 -0.3761 -0.2810 -0.1754 -0.1496 -0.0966 0.0017 0.1961 0.2066 0.2236 0.2350 0.2869 0.7398 0.7525 4.2326 4.2349 4.3227 4.3274 5.0644 5.0676 5.9967 6.0208 6.9608 6.9910 7.2530 7.2572 7.2903 7.2964 7.3940 7.4019 k = 0.3333 0.5774 0.0954 ( 8214 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7180 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2917 -16.9878 -16.9874 -16.9201 -16.9196 -16.9070 -16.9068 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3836 -0.3760 -0.2799 -0.1729 -0.1501 -0.0996 0.0031 0.1940 0.2077 0.2233 0.2370 0.2853 0.7389 0.7515 4.2346 4.2370 4.3246 4.3290 5.0642 5.0675 5.9976 6.0221 6.9626 6.9926 7.2344 7.2369 7.2883 7.2942 7.3916 7.3994 k = 0.3333 0.5774 0.1090 ( 8235 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9878 -16.9874 -16.9201 -16.9196 -16.9070 -16.9068 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3837 -0.3759 -0.2788 -0.1702 -0.1505 -0.1028 0.0044 0.1921 0.2089 0.2229 0.2388 0.2837 0.7381 0.7506 4.2366 4.2390 4.3265 4.3306 5.0639 5.0673 5.9985 6.0235 6.9643 6.9941 7.2178 7.2187 7.2864 7.2920 7.3891 7.3968 k = 0.3333 0.5774 0.1226 ( 8238 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9878 -16.9874 -16.9202 -16.9196 -16.9070 -16.9069 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3838 -0.3758 -0.2778 -0.1674 -0.1510 -0.1060 0.0057 0.1905 0.2100 0.2226 0.2404 0.2821 0.7373 0.7496 4.2385 4.2410 4.3282 4.3321 5.0637 5.0672 5.9994 6.0248 6.9658 6.9955 7.2029 7.2033 7.2846 7.2901 7.3867 7.3943 k = 0.3333 0.5774 0.1362 ( 8223 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9878 -16.9874 -16.9201 -16.9196 -16.9070 -16.9068 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3839 -0.3758 -0.2769 -0.1646 -0.1514 -0.1092 0.0069 0.1891 0.2110 0.2223 0.2418 0.2807 0.7366 0.7488 4.2402 4.2427 4.3298 4.3335 5.0635 5.0671 6.0002 6.0260 6.9671 6.9967 7.1898 7.1913 7.2830 7.2883 7.3845 7.3921 k = 0.3333 0.5774 0.1498 ( 8226 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9878 -16.9874 -16.9201 -16.9196 -16.9070 -16.9069 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2198 -0.3839 -0.3757 -0.2761 -0.1620 -0.1518 -0.1121 0.0079 0.1880 0.2118 0.2220 0.2429 0.2795 0.7360 0.7481 4.2416 4.2442 4.3311 4.3347 5.0633 5.0670 6.0009 6.0270 6.9682 6.9976 7.1794 7.1818 7.2817 7.2868 7.3826 7.3901 k = 0.3333 0.5774 0.1635 ( 8232 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9878 -16.9874 -16.9201 -16.9196 -16.9070 -16.9069 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2199 -0.3840 -0.3757 -0.2755 -0.1599 -0.1521 -0.1145 0.0086 0.1872 0.2124 0.2218 0.2436 0.2786 0.7356 0.7476 4.2427 4.2453 4.3321 4.3355 5.0631 5.0670 6.0014 6.0278 6.9689 6.9983 7.1719 7.1749 7.2808 7.2858 7.3812 7.3886 k = 0.3333 0.5774 0.1771 ( 8244 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9879 -16.9874 -16.9201 -16.9196 -16.9070 -16.9069 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2199 -0.3840 -0.3756 -0.2751 -0.1584 -0.1523 -0.1161 0.0091 0.1867 0.2128 0.2217 0.2441 0.2781 0.7353 0.7472 4.2434 4.2460 4.3328 4.3361 5.0631 5.0669 6.0017 6.0282 6.9693 6.9986 7.1674 7.1707 7.2802 7.2851 7.3802 7.3876 k = 0.3333 0.5774 0.1907 ( 8250 PWs) bands (ev): -37.8508 -37.8508 -36.0574 -36.0574 -36.0428 -36.0428 -19.0857 -19.0831 -18.7181 -18.7162 -18.6916 -18.6868 -17.3433 -17.3430 -17.2922 -17.2918 -16.9879 -16.9874 -16.9201 -16.9196 -16.9071 -16.9069 -16.8999 -16.8990 -11.2625 -11.2613 -11.2202 -11.2199 -0.3840 -0.3756 -0.2750 -0.1579 -0.1523 -0.1167 0.0092 0.1865 0.2129 0.2217 0.2443 0.2779 0.7352 0.7471 4.2436 4.2462 4.3330 4.3363 5.0630 5.0669 6.0018 6.0284 6.9694 6.9988 7.1659 7.1693 7.2800 7.2849 7.3799 7.3873 Writing output data file Ca3SiBr2.save init_run : 3.88s CPU 14.41s WALL ( 1 calls) electrons : 1978.98s CPU 1999.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.28s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1978.96s CPU 1999.57s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.57s WALL ( 1 calls) newd : 0.42s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.14s WALL ( 275 calls) cegterg : 1903.22s CPU 1920.28s WALL ( 1510 calls) Called by sum_band: Called by *egterg: h_psi : 788.27s CPU 810.58s WALL ( 30238 calls) s_psi : 79.47s CPU 80.21s WALL ( 30238 calls) g_psi : 2.22s CPU 2.18s WALL ( 28453 calls) cdiaghg : 707.03s CPU 701.00s WALL ( 28728 calls) cegterg:over : 159.26s CPU 152.48s WALL ( 28453 calls) cegterg:upda : 54.24s CPU 63.78s WALL ( 28453 calls) cegterg:last : 34.62s CPU 35.88s WALL ( 3286 calls) Called by h_psi: h_psi:vloc : 622.07s CPU 640.89s WALL ( 30238 calls) h_psi:vnl : 165.05s CPU 167.24s WALL ( 30238 calls) add_vuspsi : 55.64s CPU 66.67s WALL ( 30238 calls) General routines calbec : 109.29s CPU 100.35s WALL ( 30238 calls) fft : 0.15s CPU 1.09s WALL ( 19 calls) ffts : 0.02s CPU 0.06s WALL ( 4 calls) fftw : 594.87s CPU 607.97s WALL ( 2152936 calls) interpolate : 0.07s CPU 0.16s WALL ( 4 calls) davcio : 0.02s CPU 3.06s WALL ( 550 calls) Parallel routines fft_scatter : 352.65s CPU 359.34s WALL ( 2152959 calls) PWSCF : 34m16.88s CPU 37m49.87s WALL This run was terminated on: 14:10:32 20Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=