Program PWSCF v.5.1.1 starts on 31Jul2015 at 3:39:44 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: ./InSb.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 25 17 5 1141 633 99 Max 26 18 6 1151 645 107 Sum 1201 817 241 55005 30741 4915 bravais-lattice index = 14 lattice parameter (alat) = 8.4924 a.u. unit-cell volume = 865.9878 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.492429 celldm(2)= 1.000000 celldm(3)= 1.632621 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 1.632621 ) 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 0.612512 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 In 13.00 114.81800 In( 1.00) Sb 5.00 121.76000 Sb( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8163106 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8163106 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8163106 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 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 [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8163106 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8163106 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8163106 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033445 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033445 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033445 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033445 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033445 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033445 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033445 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033445 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033445 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033445 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033445 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033445 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033445 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033445 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033445 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033445 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033445 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033445 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0033445 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0033445 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0033445 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0033445 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0033445 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0033445 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0033445 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0033445 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0033445 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0033445 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0033445 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0033445 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0033445 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0033445 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0033445 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0033445 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0033445 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0033445 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0033445 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0033445 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0033445 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0033445 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0033445 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0033445 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0033445 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0033445 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0033445 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0033445 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0033445 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0033445 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 117) = ( 0.0000000 0.0000000 0.0139207), wk = 0.0033445 k( 118) = ( 0.0000000 0.0000000 0.0278415), wk = 0.0033445 k( 119) = ( 0.0000000 0.0000000 0.0417622), wk = 0.0033445 k( 120) = ( 0.0000000 0.0000000 0.0556829), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0696036), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0835244), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.0974451), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.1113658), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.1252865), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.1392073), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.1531280), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.1670487), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.1809694), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.1948902), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.2088109), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.2227316), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.2366523), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.2505731), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.2644938), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.2784145), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.2923352), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.3062560), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.3062560), wk = 0.0033445 k( 140) = ( 0.0121951 0.0070409 0.3062560), wk = 0.0033445 k( 141) = ( 0.0243902 0.0140817 0.3062560), wk = 0.0033445 k( 142) = ( 0.0365854 0.0211226 0.3062560), wk = 0.0033445 k( 143) = ( 0.0487805 0.0281634 0.3062560), wk = 0.0033445 k( 144) = ( 0.0609756 0.0352043 0.3062560), wk = 0.0033445 k( 145) = ( 0.0731707 0.0422451 0.3062560), wk = 0.0033445 k( 146) = ( 0.0853658 0.0492860 0.3062560), wk = 0.0033445 k( 147) = ( 0.0975610 0.0563269 0.3062560), wk = 0.0033445 k( 148) = ( 0.1097561 0.0633677 0.3062560), wk = 0.0033445 k( 149) = ( 0.1219512 0.0704086 0.3062560), wk = 0.0033445 k( 150) = ( 0.1341463 0.0774494 0.3062560), wk = 0.0033445 k( 151) = ( 0.1463415 0.0844903 0.3062560), wk = 0.0033445 k( 152) = ( 0.1585366 0.0915311 0.3062560), wk = 0.0033445 k( 153) = ( 0.1707317 0.0985720 0.3062560), wk = 0.0033445 k( 154) = ( 0.1829268 0.1056129 0.3062560), wk = 0.0033445 k( 155) = ( 0.1951219 0.1126537 0.3062560), wk = 0.0033445 k( 156) = ( 0.2073171 0.1196946 0.3062560), wk = 0.0033445 k( 157) = ( 0.2195122 0.1267354 0.3062560), wk = 0.0033445 k( 158) = ( 0.2317073 0.1337763 0.3062560), wk = 0.0033445 k( 159) = ( 0.2439024 0.1408171 0.3062560), wk = 0.0033445 k( 160) = ( 0.2560976 0.1478580 0.3062560), wk = 0.0033445 k( 161) = ( 0.2682927 0.1548989 0.3062560), wk = 0.0033445 k( 162) = ( 0.2804878 0.1619397 0.3062560), wk = 0.0033445 k( 163) = ( 0.2926829 0.1689806 0.3062560), wk = 0.0033445 k( 164) = ( 0.3048781 0.1760214 0.3062560), wk = 0.0033445 k( 165) = ( 0.3170732 0.1830623 0.3062560), wk = 0.0033445 k( 166) = ( 0.3292683 0.1901031 0.3062560), wk = 0.0033445 k( 167) = ( 0.3414634 0.1971440 0.3062560), wk = 0.0033445 k( 168) = ( 0.3536585 0.2041849 0.3062560), wk = 0.0033445 k( 169) = ( 0.3658537 0.2112257 0.3062560), wk = 0.0033445 k( 170) = ( 0.3780488 0.2182666 0.3062560), wk = 0.0033445 k( 171) = ( 0.3902439 0.2253074 0.3062560), wk = 0.0033445 k( 172) = ( 0.4024390 0.2323483 0.3062560), wk = 0.0033445 k( 173) = ( 0.4146341 0.2393891 0.3062560), wk = 0.0033445 k( 174) = ( 0.4268293 0.2464300 0.3062560), wk = 0.0033445 k( 175) = ( 0.4390244 0.2534708 0.3062560), wk = 0.0033445 k( 176) = ( 0.4512195 0.2605117 0.3062560), wk = 0.0033445 k( 177) = ( 0.4634146 0.2675526 0.3062560), wk = 0.0033445 k( 178) = ( 0.4756098 0.2745934 0.3062560), wk = 0.0033445 k( 179) = ( 0.4878049 0.2816343 0.3062560), wk = 0.0033445 k( 180) = ( 0.5000000 0.2886751 0.3062560), wk = 0.0033445 k( 181) = ( 0.5000000 0.2886751 0.3062560), wk = 0.0033445 k( 182) = ( 0.4930556 0.3007033 0.3062560), wk = 0.0033445 k( 183) = ( 0.4861111 0.3127314 0.3062560), wk = 0.0033445 k( 184) = ( 0.4791667 0.3247595 0.3062560), wk = 0.0033445 k( 185) = ( 0.4722222 0.3367877 0.3062560), wk = 0.0033445 k( 186) = ( 0.4652778 0.3488158 0.3062560), wk = 0.0033445 k( 187) = ( 0.4583333 0.3608439 0.3062560), wk = 0.0033445 k( 188) = ( 0.4513889 0.3728720 0.3062560), wk = 0.0033445 k( 189) = ( 0.4444444 0.3849002 0.3062560), wk = 0.0033445 k( 190) = ( 0.4375000 0.3969283 0.3062560), wk = 0.0033445 k( 191) = ( 0.4305556 0.4089564 0.3062560), wk = 0.0033445 k( 192) = ( 0.4236111 0.4209846 0.3062560), wk = 0.0033445 k( 193) = ( 0.4166667 0.4330127 0.3062560), wk = 0.0033445 k( 194) = ( 0.4097222 0.4450408 0.3062560), wk = 0.0033445 k( 195) = ( 0.4027778 0.4570690 0.3062560), wk = 0.0033445 k( 196) = ( 0.3958333 0.4690971 0.3062560), wk = 0.0033445 k( 197) = ( 0.3888889 0.4811252 0.3062560), wk = 0.0033445 k( 198) = ( 0.3819444 0.4931534 0.3062560), wk = 0.0033445 k( 199) = ( 0.3750000 0.5051815 0.3062560), wk = 0.0033445 k( 200) = ( 0.3680556 0.5172096 0.3062560), wk = 0.0033445 k( 201) = ( 0.3611111 0.5292377 0.3062560), wk = 0.0033445 k( 202) = ( 0.3541667 0.5412659 0.3062560), wk = 0.0033445 k( 203) = ( 0.3472222 0.5532940 0.3062560), wk = 0.0033445 k( 204) = ( 0.3402778 0.5653221 0.3062560), wk = 0.0033445 k( 205) = ( 0.3333333 0.5773503 0.3062560), wk = 0.0033445 k( 206) = ( 0.3333333 0.5773503 0.3062560), wk = 0.0033445 k( 207) = ( 0.3262411 0.5650662 0.3062560), wk = 0.0033445 k( 208) = ( 0.3191489 0.5527822 0.3062560), wk = 0.0033445 k( 209) = ( 0.3120567 0.5404981 0.3062560), wk = 0.0033445 k( 210) = ( 0.3049645 0.5282141 0.3062560), wk = 0.0033445 k( 211) = ( 0.2978723 0.5159300 0.3062560), wk = 0.0033445 k( 212) = ( 0.2907801 0.5036460 0.3062560), wk = 0.0033445 k( 213) = ( 0.2836879 0.4913619 0.3062560), wk = 0.0033445 k( 214) = ( 0.2765957 0.4790779 0.3062560), wk = 0.0033445 k( 215) = ( 0.2695035 0.4667938 0.3062560), wk = 0.0033445 k( 216) = ( 0.2624113 0.4545098 0.3062560), wk = 0.0033445 k( 217) = ( 0.2553191 0.4422257 0.3062560), wk = 0.0033445 k( 218) = ( 0.2482270 0.4299417 0.3062560), wk = 0.0033445 k( 219) = ( 0.2411348 0.4176576 0.3062560), wk = 0.0033445 k( 220) = ( 0.2340425 0.4053736 0.3062560), wk = 0.0033445 k( 221) = ( 0.2269503 0.3930895 0.3062560), wk = 0.0033445 k( 222) = ( 0.2198582 0.3808055 0.3062560), wk = 0.0033445 k( 223) = ( 0.2127660 0.3685215 0.3062560), wk = 0.0033445 k( 224) = ( 0.2056738 0.3562374 0.3062560), wk = 0.0033445 k( 225) = ( 0.1985816 0.3439534 0.3062560), wk = 0.0033445 k( 226) = ( 0.1914894 0.3316693 0.3062560), wk = 0.0033445 k( 227) = ( 0.1843972 0.3193852 0.3062560), wk = 0.0033445 k( 228) = ( 0.1773050 0.3071012 0.3062560), wk = 0.0033445 k( 229) = ( 0.1702128 0.2948172 0.3062560), wk = 0.0033445 k( 230) = ( 0.1631206 0.2825331 0.3062560), wk = 0.0033445 k( 231) = ( 0.1560284 0.2702491 0.3062560), wk = 0.0033445 k( 232) = ( 0.1489362 0.2579650 0.3062560), wk = 0.0033445 k( 233) = ( 0.1418440 0.2456810 0.3062560), wk = 0.0033445 k( 234) = ( 0.1347518 0.2333969 0.3062560), wk = 0.0033445 k( 235) = ( 0.1276596 0.2211129 0.3062560), wk = 0.0033445 k( 236) = ( 0.1205674 0.2088288 0.3062560), wk = 0.0033445 k( 237) = ( 0.1134752 0.1965448 0.3062560), wk = 0.0033445 k( 238) = ( 0.1063830 0.1842607 0.3062560), wk = 0.0033445 k( 239) = ( 0.0992908 0.1719767 0.3062560), wk = 0.0033445 k( 240) = ( 0.0921986 0.1596926 0.3062560), wk = 0.0033445 k( 241) = ( 0.0851064 0.1474086 0.3062560), wk = 0.0033445 k( 242) = ( 0.0780142 0.1351245 0.3062560), wk = 0.0033445 k( 243) = ( 0.0709220 0.1228405 0.3062560), wk = 0.0033445 k( 244) = ( 0.0638298 0.1105564 0.3062560), wk = 0.0033445 k( 245) = ( 0.0567376 0.0982724 0.3062560), wk = 0.0033445 k( 246) = ( 0.0496454 0.0859883 0.3062560), wk = 0.0033445 k( 247) = ( 0.0425532 0.0737043 0.3062560), wk = 0.0033445 k( 248) = ( 0.0354610 0.0614202 0.3062560), wk = 0.0033445 k( 249) = ( 0.0283688 0.0491362 0.3062560), wk = 0.0033445 k( 250) = ( 0.0212766 0.0368522 0.3062560), wk = 0.0033445 k( 251) = ( 0.0141844 0.0245681 0.3062560), wk = 0.0033445 k( 252) = ( 0.0070922 0.0122841 0.3062560), wk = 0.0033445 k( 253) = ( 0.0000000 0.0000000 0.3062560), wk = 0.0033445 k( 254) = ( 0.5000000 0.2886751 0.3062560), wk = 0.0033445 k( 255) = ( 0.5000000 0.2886751 0.2923352), wk = 0.0033445 k( 256) = ( 0.5000000 0.2886751 0.2784145), wk = 0.0033445 k( 257) = ( 0.5000000 0.2886751 0.2644938), wk = 0.0033445 k( 258) = ( 0.5000000 0.2886751 0.2505731), wk = 0.0033445 k( 259) = ( 0.5000000 0.2886751 0.2366523), wk = 0.0033445 k( 260) = ( 0.5000000 0.2886751 0.2227316), wk = 0.0033445 k( 261) = ( 0.5000000 0.2886751 0.2088109), wk = 0.0033445 k( 262) = ( 0.5000000 0.2886751 0.1948902), wk = 0.0033445 k( 263) = ( 0.5000000 0.2886751 0.1809694), wk = 0.0033445 k( 264) = ( 0.5000000 0.2886751 0.1670487), wk = 0.0033445 k( 265) = ( 0.5000000 0.2886751 0.1531280), wk = 0.0033445 k( 266) = ( 0.5000000 0.2886751 0.1392073), wk = 0.0033445 k( 267) = ( 0.5000000 0.2886751 0.1252865), wk = 0.0033445 k( 268) = ( 0.5000000 0.2886751 0.1113658), wk = 0.0033445 k( 269) = ( 0.5000000 0.2886751 0.0974451), wk = 0.0033445 k( 270) = ( 0.5000000 0.2886751 0.0835244), wk = 0.0033445 k( 271) = ( 0.5000000 0.2886751 0.0696036), wk = 0.0033445 k( 272) = ( 0.5000000 0.2886751 0.0556829), wk = 0.0033445 k( 273) = ( 0.5000000 0.2886751 0.0417622), wk = 0.0033445 k( 274) = ( 0.5000000 0.2886751 0.0278415), wk = 0.0033445 k( 275) = ( 0.5000000 0.2886751 0.0139207), wk = 0.0033445 k( 276) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 277) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 278) = ( 0.3333333 0.5773503 0.0139207), wk = 0.0033445 k( 279) = ( 0.3333333 0.5773503 0.0278415), wk = 0.0033445 k( 280) = ( 0.3333333 0.5773503 0.0417622), wk = 0.0033445 k( 281) = ( 0.3333333 0.5773503 0.0556829), wk = 0.0033445 k( 282) = ( 0.3333333 0.5773503 0.0696036), wk = 0.0033445 k( 283) = ( 0.3333333 0.5773503 0.0835244), wk = 0.0033445 k( 284) = ( 0.3333333 0.5773503 0.0974451), wk = 0.0033445 k( 285) = ( 0.3333333 0.5773503 0.1113658), wk = 0.0033445 k( 286) = ( 0.3333333 0.5773503 0.1252865), wk = 0.0033445 k( 287) = ( 0.3333333 0.5773503 0.1392073), wk = 0.0033445 k( 288) = ( 0.3333333 0.5773503 0.1531280), wk = 0.0033445 k( 289) = ( 0.3333333 0.5773503 0.1670487), wk = 0.0033445 k( 290) = ( 0.3333333 0.5773503 0.1809694), wk = 0.0033445 k( 291) = ( 0.3333333 0.5773503 0.1948902), wk = 0.0033445 k( 292) = ( 0.3333333 0.5773503 0.2088109), wk = 0.0033445 k( 293) = ( 0.3333333 0.5773503 0.2227316), wk = 0.0033445 k( 294) = ( 0.3333333 0.5773503 0.2366523), wk = 0.0033445 k( 295) = ( 0.3333333 0.5773503 0.2505731), wk = 0.0033445 k( 296) = ( 0.3333333 0.5773503 0.2644938), wk = 0.0033445 k( 297) = ( 0.3333333 0.5773503 0.2784145), wk = 0.0033445 k( 298) = ( 0.3333333 0.5773503 0.2923352), wk = 0.0033445 k( 299) = ( 0.3333333 0.5773503 0.3062560), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0033445 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0033445 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0609756 0.0000000 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1219512 0.0000000 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1707317 -0.0000000 0.0000000), wk = 0.0033445 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0033445 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0033445 k( 18) = ( 0.2073171 0.0000000 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2439024 0.0000000 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0033445 k( 25) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0033445 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3414634 0.0000000 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0033445 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0033445 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4268293 0.0000000 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0033445 k( 41) = ( 0.4878049 0.0000000 -0.0000000), wk = 0.0033445 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033445 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033445 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033445 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033445 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033445 k( 57) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0033445 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033445 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033445 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0033445 k( 63) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0033445 k( 66) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0033445 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0033445 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0033445 k( 72) = ( 0.3049645 0.3049645 -0.0000000), wk = 0.0033445 k( 73) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0033445 k( 74) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0033445 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0033445 k( 76) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2695035 0.2695036 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2624113 0.2624114 0.0000000), wk = 0.0033445 k( 79) = ( 0.2553191 0.2553192 0.0000000), wk = 0.0033445 k( 80) = ( 0.2482270 0.2482269 -0.0000000), wk = 0.0033445 k( 81) = ( 0.2411348 0.2411347 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0033445 k( 83) = ( 0.2269503 0.2269503 -0.0000000), wk = 0.0033445 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0033445 k( 85) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0033445 k( 86) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0033445 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0033445 k( 88) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0033445 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0033445 k( 90) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0033445 k( 91) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0033445 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0033445 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0033445 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1205674 0.1205674 -0.0000000), wk = 0.0033445 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0033445 k( 100) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0033445 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0033445 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0033445 k( 103) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0033445 k( 104) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0033445 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0033445 k( 106) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0033445 k( 109) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0354610 0.0354610 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0033445 k( 113) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0033445 k( 114) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0033445 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 117) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033445 k( 118) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033445 k( 119) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033445 k( 120) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 140) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0033445 k( 141) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0033445 k( 142) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0033445 k( 143) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0033445 k( 144) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0033445 k( 145) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0033445 k( 146) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0033445 k( 147) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0033445 k( 148) = ( 0.1097561 -0.0000000 0.5000000), wk = 0.0033445 k( 149) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0033445 k( 150) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0033445 k( 151) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0033445 k( 152) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0033445 k( 153) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0033445 k( 154) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0033445 k( 155) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0033445 k( 156) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0033445 k( 157) = ( 0.2195122 -0.0000000 0.5000000), wk = 0.0033445 k( 158) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0033445 k( 159) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0033445 k( 160) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0033445 k( 161) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0033445 k( 162) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0033445 k( 163) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0033445 k( 164) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0033445 k( 165) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0033445 k( 166) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0033445 k( 167) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0033445 k( 168) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0033445 k( 169) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0033445 k( 170) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0033445 k( 171) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0033445 k( 172) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0033445 k( 173) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0033445 k( 174) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0033445 k( 175) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0033445 k( 176) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0033445 k( 177) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0033445 k( 178) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0033445 k( 179) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0033445 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 182) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033445 k( 183) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033445 k( 184) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033445 k( 185) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033445 k( 186) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033445 k( 187) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033445 k( 188) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033445 k( 189) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033445 k( 190) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033445 k( 191) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033445 k( 192) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033445 k( 193) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033445 k( 194) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033445 k( 195) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033445 k( 196) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033445 k( 197) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033445 k( 198) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033445 k( 199) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033445 k( 200) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033445 k( 201) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033445 k( 202) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033445 k( 203) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033445 k( 204) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033445 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 207) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0033445 k( 208) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0033445 k( 209) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0033445 k( 210) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0033445 k( 211) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0033445 k( 212) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0033445 k( 213) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0033445 k( 214) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0033445 k( 215) = ( 0.2695035 0.2695036 0.5000000), wk = 0.0033445 k( 216) = ( 0.2624113 0.2624114 0.5000000), wk = 0.0033445 k( 217) = ( 0.2553191 0.2553192 0.5000000), wk = 0.0033445 k( 218) = ( 0.2482270 0.2482269 0.5000000), wk = 0.0033445 k( 219) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0033445 k( 220) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0033445 k( 221) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0033445 k( 222) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0033445 k( 223) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0033445 k( 224) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0033445 k( 225) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0033445 k( 226) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0033445 k( 227) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0033445 k( 228) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0033445 k( 229) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0033445 k( 230) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0033445 k( 231) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0033445 k( 232) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0033445 k( 233) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0033445 k( 234) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0033445 k( 235) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0033445 k( 236) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0033445 k( 237) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0033445 k( 238) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0033445 k( 239) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0033445 k( 240) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0033445 k( 241) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0033445 k( 242) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0033445 k( 243) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0033445 k( 244) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0033445 k( 245) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0033445 k( 246) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0033445 k( 247) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0033445 k( 248) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0033445 k( 249) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0033445 k( 250) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0033445 k( 251) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0033445 k( 252) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0033445 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 255) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0033445 k( 256) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0033445 k( 257) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0033445 k( 258) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033445 k( 259) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0033445 k( 260) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033445 k( 261) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0033445 k( 262) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033445 k( 263) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0033445 k( 264) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033445 k( 265) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033445 k( 266) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033445 k( 267) = ( 0.5000000 0.0000000 0.2045455), wk = 0.0033445 k( 268) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033445 k( 269) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0033445 k( 270) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033445 k( 271) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0033445 k( 272) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033445 k( 273) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0033445 k( 274) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0033445 k( 275) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0033445 k( 276) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 277) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 278) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033445 k( 279) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033445 k( 280) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033445 k( 281) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033445 k( 282) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033445 k( 283) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033445 k( 284) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033445 k( 285) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033445 k( 286) = ( 0.3333333 0.3333333 0.2045455), wk = 0.0033445 k( 287) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033445 k( 288) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033445 k( 289) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033445 k( 290) = ( 0.3333333 0.3333333 0.2954546), wk = 0.0033445 k( 291) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033445 k( 292) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033445 k( 293) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033445 k( 294) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033445 k( 295) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033445 k( 296) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033445 k( 297) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033445 k( 298) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033445 k( 299) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 Dense grid: 55005 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 30741 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 170, 44) NL pseudopotentials 0.18 Mb ( 85, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1147) G-vector shells 0.00 Mb ( 520) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 170, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./InSb.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.8 secs Computing kpt #: 2 total cpu time spent up to now is 43.0 secs Computing kpt #: 3 total cpu time spent up to now is 44.2 secs Computing kpt #: 4 total cpu time spent up to now is 45.3 secs Computing kpt #: 5 total cpu time spent up to now is 46.5 secs Computing kpt #: 6 total cpu time spent up to now is 47.6 secs Computing kpt #: 7 total cpu time spent up to now is 48.8 secs Computing kpt #: 8 total cpu time spent up to now is 50.1 secs Computing kpt #: 9 total cpu time spent up to now is 51.4 secs Computing kpt #: 10 total cpu time spent up to now is 52.7 secs Computing kpt #: 11 total cpu time spent up to now is 54.1 secs Computing kpt #: 12 total cpu time spent up to now is 55.3 secs Computing kpt #: 13 total cpu time spent up to now is 56.5 secs Computing kpt #: 14 total cpu time spent up to now is 57.8 secs Computing kpt #: 15 total cpu time spent up to now is 59.1 secs Computing kpt #: 16 total cpu time spent up to now is 60.5 secs Computing kpt #: 17 total cpu time spent up to now is 61.9 secs Computing kpt #: 18 total cpu time spent up to now is 63.4 secs Computing kpt #: 19 total cpu time spent up to now is 64.8 secs Computing kpt #: 20 total cpu time spent up to now is 66.1 secs Computing kpt #: 21 total cpu time spent up to now is 67.8 secs Computing kpt #: 22 total cpu time spent up to now is 69.3 secs Computing kpt #: 23 total cpu time spent up to now is 70.8 secs Computing kpt #: 24 total cpu time spent up to now is 72.2 secs Computing kpt #: 25 total cpu time spent up to now is 73.6 secs Computing kpt #: 26 total cpu time spent up to now is 75.1 secs Computing kpt #: 27 total cpu time spent up to now is 76.5 secs Computing kpt #: 28 total cpu time spent up to now is 77.9 secs Computing kpt #: 29 total cpu time spent up to now is 79.4 secs Computing kpt #: 30 total cpu time spent up to now is 81.0 secs Computing kpt #: 31 total cpu time spent up to now is 82.4 secs Computing kpt #: 32 total cpu time spent up to now is 84.0 secs Computing kpt #: 33 total cpu time spent up to now is 85.4 secs Computing kpt #: 34 total cpu time spent up to now is 87.2 secs Computing kpt #: 35 total cpu time spent up to now is 88.7 secs Computing kpt #: 36 total cpu time spent up to now is 90.1 secs Computing kpt #: 37 total cpu time spent up to now is 91.7 secs Computing kpt #: 38 total cpu time spent up to now is 93.1 secs Computing kpt #: 39 total cpu time spent up to now is 94.4 secs Computing kpt #: 40 total cpu time spent up to now is 95.6 secs Computing kpt #: 41 total cpu time spent up to now is 97.0 secs Computing kpt #: 42 total cpu time spent up to now is 98.4 secs Computing kpt #: 43 total cpu time spent up to now is 99.6 secs Computing kpt #: 44 total cpu time spent up to now is 100.9 secs Computing kpt #: 45 total cpu time spent up to now is 102.1 secs Computing kpt #: 46 total cpu time spent up to now is 103.4 secs Computing kpt #: 47 total cpu time spent up to now is 104.7 secs Computing kpt #: 48 total cpu time spent up to now is 106.0 secs Computing kpt #: 49 total cpu time spent up to now is 107.2 secs Computing kpt #: 50 total cpu time spent up to now is 108.6 secs Computing kpt #: 51 total cpu time spent up to now is 109.9 secs Computing kpt #: 52 total cpu time spent up to now is 111.2 secs Computing kpt #: 53 total cpu time spent up to now is 112.4 secs Computing kpt #: 54 total cpu time spent up to now is 113.7 secs Computing kpt #: 55 total cpu time spent up to now is 115.1 secs Computing kpt #: 56 total cpu time spent up to now is 116.5 secs Computing kpt #: 57 total cpu time spent up to now is 118.0 secs Computing kpt #: 58 total cpu time spent up to now is 119.5 secs Computing kpt #: 59 total cpu time spent up to now is 121.1 secs Computing kpt #: 60 total cpu time spent up to now is 122.5 secs Computing kpt #: 61 total cpu time spent up to now is 123.9 secs Computing kpt #: 62 total cpu time spent up to now is 125.3 secs Computing kpt #: 63 total cpu time spent up to now is 126.7 secs Computing kpt #: 64 total cpu time spent up to now is 128.4 secs Computing kpt #: 65 total cpu time spent up to now is 130.0 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.0 secs Computing kpt #: 67 total cpu time spent up to now is 135.0 secs Computing kpt #: 68 total cpu time spent up to now is 136.8 secs Computing kpt #: 69 total cpu time spent up to now is 139.6 secs Computing kpt #: 70 total cpu time spent up to now is 141.6 secs Computing kpt #: 71 total cpu time spent up to now is 143.6 secs Computing kpt #: 72 total cpu time spent up to now is 145.4 secs Computing kpt #: 73 total cpu time spent up to now is 147.1 secs Computing kpt #: 74 total cpu time spent up to now is 148.4 secs Computing kpt #: 75 total cpu time spent up to now is 149.9 secs Computing kpt #: 76 total cpu time spent up to now is 151.3 secs Computing kpt #: 77 total cpu time spent up to now is 152.6 secs Computing kpt #: 78 total cpu time spent up to now is 153.9 secs Computing kpt #: 79 total cpu time spent up to now is 155.2 secs Computing kpt #: 80 total cpu time spent up to now is 156.5 secs Computing kpt #: 81 total cpu time spent up to now is 157.8 secs Computing kpt #: 82 total cpu time spent up to now is 159.1 secs Computing kpt #: 83 total cpu time spent up to now is 160.4 secs Computing kpt #: 84 total cpu time spent up to now is 161.6 secs Computing kpt #: 85 total cpu time spent up to now is 163.0 secs Computing kpt #: 86 total cpu time spent up to now is 164.3 secs Computing kpt #: 87 total cpu time spent up to now is 165.6 secs Computing kpt #: 88 total cpu time spent up to now is 166.9 secs Computing kpt #: 89 total cpu time spent up to now is 168.2 secs Computing kpt #: 90 total cpu time spent up to now is 169.6 secs Computing kpt #: 91 total cpu time spent up to now is 170.8 secs Computing kpt #: 92 total cpu time spent up to now is 172.2 secs Computing kpt #: 93 total cpu time spent up to now is 173.4 secs Computing kpt #: 94 total cpu time spent up to now is 174.9 secs Computing kpt #: 95 total cpu time spent up to now is 176.5 secs Computing kpt #: 96 total cpu time spent up to now is 177.9 secs Computing kpt #: 97 total cpu time spent up to now is 179.2 secs Computing kpt #: 98 total cpu time spent up to now is 180.5 secs Computing kpt #: 99 total cpu time spent up to now is 181.9 secs Computing kpt #: 100 total cpu time spent up to now is 183.2 secs Computing kpt #: 101 total cpu time spent up to now is 184.5 secs Computing kpt #: 102 total cpu time spent up to now is 185.8 secs Computing kpt #: 103 total cpu time spent up to now is 187.1 secs Computing kpt #: 104 total cpu time spent up to now is 188.4 secs Computing kpt #: 105 total cpu time spent up to now is 189.7 secs Computing kpt #: 106 total cpu time spent up to now is 191.0 secs Computing kpt #: 107 total cpu time spent up to now is 192.3 secs Computing kpt #: 108 total cpu time spent up to now is 193.7 secs Computing kpt #: 109 total cpu time spent up to now is 194.8 secs Computing kpt #: 110 total cpu time spent up to now is 195.9 secs Computing kpt #: 111 total cpu time spent up to now is 197.1 secs Computing kpt #: 112 total cpu time spent up to now is 198.3 secs Computing kpt #: 113 total cpu time spent up to now is 199.5 secs Computing kpt #: 114 total cpu time spent up to now is 200.6 secs Computing kpt #: 115 total cpu time spent up to now is 201.8 secs Computing kpt #: 116 total cpu time spent up to now is 202.9 secs Computing kpt #: 117 total cpu time spent up to now is 204.2 secs Computing kpt #: 118 total cpu time spent up to now is 205.3 secs Computing kpt #: 119 total cpu time spent up to now is 206.4 secs Computing kpt #: 120 total cpu time spent up to now is 207.6 secs Computing kpt #: 121 total cpu time spent up to now is 208.8 secs Computing kpt #: 122 total cpu time spent up to now is 210.0 secs Computing kpt #: 123 total cpu time spent up to now is 211.3 secs Computing kpt #: 124 total cpu time spent up to now is 212.6 secs Computing kpt #: 125 total cpu time spent up to now is 214.0 secs Computing kpt #: 126 total cpu time spent up to now is 215.5 secs Computing kpt #: 127 total cpu time spent up to now is 217.5 secs Computing kpt #: 128 total cpu time spent up to now is 218.9 secs Computing kpt #: 129 total cpu time spent up to now is 220.1 secs Computing kpt #: 130 total cpu time spent up to now is 221.4 secs Computing kpt #: 131 total cpu time spent up to now is 222.5 secs Computing kpt #: 132 total cpu time spent up to now is 223.8 secs Computing kpt #: 133 total cpu time spent up to now is 225.1 secs Computing kpt #: 134 total cpu time spent up to now is 228.0 secs Computing kpt #: 135 total cpu time spent up to now is 229.4 secs Computing kpt #: 136 total cpu time spent up to now is 230.9 secs Computing kpt #: 137 total cpu time spent up to now is 232.3 secs Computing kpt #: 138 total cpu time spent up to now is 233.6 secs Computing kpt #: 139 total cpu time spent up to now is 234.9 secs Computing kpt #: 140 total cpu time spent up to now is 236.2 secs Computing kpt #: 141 total cpu time spent up to now is 237.5 secs Computing kpt #: 142 total cpu time spent up to now is 238.8 secs Computing kpt #: 143 total cpu time spent up to now is 240.3 secs Computing kpt #: 144 total cpu time spent up to now is 241.7 secs Computing kpt #: 145 total cpu time spent up to now is 243.1 secs Computing kpt #: 146 total cpu time spent up to now is 244.4 secs Computing kpt #: 147 total cpu time spent up to now is 245.6 secs Computing kpt #: 148 total cpu time spent up to now is 246.9 secs Computing kpt #: 149 total cpu time spent up to now is 248.2 secs Computing kpt #: 150 total cpu time spent up to now is 249.5 secs Computing kpt #: 151 total cpu time spent up to now is 250.7 secs Computing kpt #: 152 total cpu time spent up to now is 252.0 secs Computing kpt #: 153 total cpu time spent up to now is 253.3 secs Computing kpt #: 154 total cpu time spent up to now is 254.6 secs Computing kpt #: 155 total cpu time spent up to now is 255.8 secs Computing kpt #: 156 total cpu time spent up to now is 257.1 secs Computing kpt #: 157 total cpu time spent up to now is 258.4 secs Computing kpt #: 158 total cpu time spent up to now is 259.7 secs Computing kpt #: 159 total cpu time spent up to now is 260.9 secs Computing kpt #: 160 total cpu time spent up to now is 262.2 secs Computing kpt #: 161 total cpu time spent up to now is 263.3 secs Computing kpt #: 162 total cpu time spent up to now is 264.5 secs Computing kpt #: 163 total cpu time spent up to now is 265.7 secs Computing kpt #: 164 total cpu time spent up to now is 266.8 secs Computing kpt #: 165 total cpu time spent up to now is 267.9 secs Computing kpt #: 166 total cpu time spent up to now is 269.0 secs Computing kpt #: 167 total cpu time spent up to now is 270.3 secs Computing kpt #: 168 total cpu time spent up to now is 271.4 secs Computing kpt #: 169 total cpu time spent up to now is 272.5 secs Computing kpt #: 170 total cpu time spent up to now is 273.5 secs Computing kpt #: 171 total cpu time spent up to now is 274.6 secs Computing kpt #: 172 total cpu time spent up to now is 275.6 secs Computing kpt #: 173 total cpu time spent up to now is 276.7 secs Computing kpt #: 174 total cpu time spent up to now is 277.7 secs Computing kpt #: 175 total cpu time spent up to now is 278.8 secs Computing kpt #: 176 total cpu time spent up to now is 279.8 secs Computing kpt #: 177 total cpu time spent up to now is 280.7 secs Computing kpt #: 178 total cpu time spent up to now is 281.8 secs Computing kpt #: 179 total cpu time spent up to now is 282.9 secs Computing kpt #: 180 total cpu time spent up to now is 283.9 secs Computing kpt #: 181 total cpu time spent up to now is 284.9 secs Computing kpt #: 182 total cpu time spent up to now is 285.9 secs Computing kpt #: 183 total cpu time spent up to now is 286.9 secs Computing kpt #: 184 total cpu time spent up to now is 287.9 secs Computing kpt #: 185 total cpu time spent up to now is 289.0 secs Computing kpt #: 186 total cpu time spent up to now is 290.1 secs Computing kpt #: 187 total cpu time spent up to now is 291.1 secs Computing kpt #: 188 total cpu time spent up to now is 292.2 secs Computing kpt #: 189 total cpu time spent up to now is 293.2 secs Computing kpt #: 190 total cpu time spent up to now is 294.4 secs Computing kpt #: 191 total cpu time spent up to now is 295.5 secs Computing kpt #: 192 total cpu time spent up to now is 296.6 secs Computing kpt #: 193 total cpu time spent up to now is 297.7 secs Computing kpt #: 194 total cpu time spent up to now is 299.0 secs Computing kpt #: 195 total cpu time spent up to now is 300.4 secs Computing kpt #: 196 total cpu time spent up to now is 301.8 secs Computing kpt #: 197 total cpu time spent up to now is 303.2 secs Computing kpt #: 198 total cpu time spent up to now is 304.5 secs Computing kpt #: 199 total cpu time spent up to now is 305.9 secs Computing kpt #: 200 total cpu time spent up to now is 307.3 secs Computing kpt #: 201 total cpu time spent up to now is 308.6 secs Computing kpt #: 202 total cpu time spent up to now is 310.0 secs Computing kpt #: 203 total cpu time spent up to now is 311.3 secs Computing kpt #: 204 total cpu time spent up to now is 312.7 secs Computing kpt #: 205 total cpu time spent up to now is 314.1 secs Computing kpt #: 206 total cpu time spent up to now is 315.6 secs Computing kpt #: 207 total cpu time spent up to now is 316.9 secs Computing kpt #: 208 total cpu time spent up to now is 318.5 secs Computing kpt #: 209 total cpu time spent up to now is 319.9 secs Computing kpt #: 210 total cpu time spent up to now is 321.2 secs Computing kpt #: 211 total cpu time spent up to now is 322.6 secs Computing kpt #: 212 total cpu time spent up to now is 324.0 secs Computing kpt #: 213 total cpu time spent up to now is 325.4 secs Computing kpt #: 214 total cpu time spent up to now is 326.8 secs Computing kpt #: 215 total cpu time spent up to now is 328.1 secs Computing kpt #: 216 total cpu time spent up to now is 329.4 secs Computing kpt #: 217 total cpu time spent up to now is 330.7 secs Computing kpt #: 218 total cpu time spent up to now is 332.1 secs Computing kpt #: 219 total cpu time spent up to now is 333.3 secs Computing kpt #: 220 total cpu time spent up to now is 334.6 secs Computing kpt #: 221 total cpu time spent up to now is 335.9 secs Computing kpt #: 222 total cpu time spent up to now is 337.1 secs Computing kpt #: 223 total cpu time spent up to now is 338.4 secs Computing kpt #: 224 total cpu time spent up to now is 339.6 secs Computing kpt #: 225 total cpu time spent up to now is 340.8 secs Computing kpt #: 226 total cpu time spent up to now is 342.1 secs Computing kpt #: 227 total cpu time spent up to now is 343.4 secs Computing kpt #: 228 total cpu time spent up to now is 344.6 secs Computing kpt #: 229 total cpu time spent up to now is 345.9 secs Computing kpt #: 230 total cpu time spent up to now is 347.1 secs Computing kpt #: 231 total cpu time spent up to now is 348.3 secs Computing kpt #: 232 total cpu time spent up to now is 349.5 secs Computing kpt #: 233 total cpu time spent up to now is 350.6 secs Computing kpt #: 234 total cpu time spent up to now is 351.8 secs Computing kpt #: 235 total cpu time spent up to now is 352.9 secs Computing kpt #: 236 total cpu time spent up to now is 354.1 secs Computing kpt #: 237 total cpu time spent up to now is 355.2 secs Computing kpt #: 238 total cpu time spent up to now is 356.4 secs Computing kpt #: 239 total cpu time spent up to now is 357.5 secs Computing kpt #: 240 total cpu time spent up to now is 358.7 secs Computing kpt #: 241 total cpu time spent up to now is 359.8 secs Computing kpt #: 242 total cpu time spent up to now is 361.0 secs Computing kpt #: 243 total cpu time spent up to now is 362.4 secs Computing kpt #: 244 total cpu time spent up to now is 363.6 secs Computing kpt #: 245 total cpu time spent up to now is 364.9 secs Computing kpt #: 246 total cpu time spent up to now is 366.3 secs Computing kpt #: 247 total cpu time spent up to now is 367.6 secs Computing kpt #: 248 total cpu time spent up to now is 368.9 secs Computing kpt #: 249 total cpu time spent up to now is 370.2 secs Computing kpt #: 250 total cpu time spent up to now is 371.5 secs Computing kpt #: 251 total cpu time spent up to now is 372.8 secs Computing kpt #: 252 total cpu time spent up to now is 374.2 secs Computing kpt #: 253 total cpu time spent up to now is 375.5 secs Computing kpt #: 254 total cpu time spent up to now is 376.5 secs Computing kpt #: 255 total cpu time spent up to now is 377.9 secs Computing kpt #: 256 total cpu time spent up to now is 378.9 secs Computing kpt #: 257 total cpu time spent up to now is 380.0 secs Computing kpt #: 258 total cpu time spent up to now is 381.0 secs Computing kpt #: 259 total cpu time spent up to now is 382.1 secs Computing kpt #: 260 total cpu time spent up to now is 383.1 secs Computing kpt #: 261 total cpu time spent up to now is 384.3 secs Computing kpt #: 262 total cpu time spent up to now is 385.4 secs Computing kpt #: 263 total cpu time spent up to now is 386.5 secs Computing kpt #: 264 total cpu time spent up to now is 387.6 secs Computing kpt #: 265 total cpu time spent up to now is 388.8 secs Computing kpt #: 266 total cpu time spent up to now is 390.1 secs Computing kpt #: 267 total cpu time spent up to now is 391.3 secs Computing kpt #: 268 total cpu time spent up to now is 392.7 secs Computing kpt #: 269 total cpu time spent up to now is 394.0 secs Computing kpt #: 270 total cpu time spent up to now is 395.2 secs Computing kpt #: 271 total cpu time spent up to now is 396.5 secs Computing kpt #: 272 total cpu time spent up to now is 397.7 secs Computing kpt #: 273 total cpu time spent up to now is 399.0 secs Computing kpt #: 274 total cpu time spent up to now is 400.2 secs Computing kpt #: 275 total cpu time spent up to now is 401.4 secs Computing kpt #: 276 total cpu time spent up to now is 402.6 secs Computing kpt #: 277 total cpu time spent up to now is 404.5 secs Computing kpt #: 278 total cpu time spent up to now is 405.9 secs Computing kpt #: 279 total cpu time spent up to now is 407.9 secs Computing kpt #: 280 total cpu time spent up to now is 410.8 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.7 secs Computing kpt #: 282 total cpu time spent up to now is 415.8 secs Computing kpt #: 283 total cpu time spent up to now is 417.7 secs Computing kpt #: 284 total cpu time spent up to now is 419.3 secs Computing kpt #: 285 total cpu time spent up to now is 420.7 secs Computing kpt #: 286 total cpu time spent up to now is 422.2 secs Computing kpt #: 287 total cpu time spent up to now is 423.6 secs Computing kpt #: 288 total cpu time spent up to now is 424.9 secs Computing kpt #: 289 total cpu time spent up to now is 426.3 secs Computing kpt #: 290 total cpu time spent up to now is 427.8 secs Computing kpt #: 291 total cpu time spent up to now is 429.3 secs Computing kpt #: 292 total cpu time spent up to now is 430.9 secs Computing kpt #: 293 total cpu time spent up to now is 432.3 secs Computing kpt #: 294 total cpu time spent up to now is 434.0 secs Computing kpt #: 295 total cpu time spent up to now is 435.7 secs Computing kpt #: 296 total cpu time spent up to now is 437.3 secs Computing kpt #: 297 total cpu time spent up to now is 438.9 secs Computing kpt #: 298 total cpu time spent up to now is 440.3 secs Computing kpt #: 299 total cpu time spent up to now is 441.8 secs ethr = 2.78E-11, avg # of iterations = 26.4 total cpu time spent up to now is 442.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3863 PWs) bands (ev): -8.5657 -8.5657 -8.5570 -8.5570 -8.5551 -8.5551 -8.5478 -8.5478 -7.7594 -7.7594 -7.7528 -7.7528 -7.7050 -7.7050 -7.6891 -7.6891 -7.6860 -7.6860 -7.6613 -7.6613 -4.4454 -4.4454 -2.8988 -2.8988 0.7413 0.7413 5.2583 5.2583 5.7308 5.7308 6.1542 6.1542 6.8766 6.8766 6.9544 6.9544 6.9753 6.9753 7.0483 7.0483 9.2443 9.2443 9.5813 9.5813 k = 0.0122 0.0070-0.0000 ( 3849 PWs) bands (ev): -8.5672 -8.5644 -8.5570 -8.5570 -8.5553 -8.5548 -8.5478 -8.5478 -7.7620 -7.7567 -7.7530 -7.7527 -7.7059 -7.7042 -7.6892 -7.6889 -7.6860 -7.6860 -7.6613 -7.6613 -4.4441 -4.4441 -2.8978 -2.8977 0.7397 0.7438 5.2424 5.2560 5.7174 5.7178 6.1378 6.1512 6.7789 6.8405 6.9094 6.9351 7.0589 7.0675 7.0717 7.0867 9.2425 9.2492 9.5808 9.5809 k = 0.0244 0.0141-0.0000 ( 3839 PWs) bands (ev): -8.5687 -8.5633 -8.5570 -8.5570 -8.5554 -8.5546 -8.5476 -8.5476 -7.7647 -7.7540 -7.7531 -7.7525 -7.7067 -7.7033 -7.6892 -7.6888 -7.6861 -7.6861 -7.6613 -7.6613 -4.4402 -4.4401 -2.8946 -2.8944 0.7392 0.7474 5.2076 5.2352 5.6802 5.6828 6.1018 6.1262 6.6683 6.7287 6.9099 6.9209 7.1055 7.1289 7.1914 7.2104 9.2435 9.2573 9.5796 9.5803 k = 0.0366 0.0211-0.0000 ( 3839 PWs) bands (ev): -8.5703 -8.5624 -8.5570 -8.5570 -8.5556 -8.5543 -8.5474 -8.5472 -7.7674 -7.7533 -7.7524 -7.7514 -7.7074 -7.7024 -7.6893 -7.6887 -7.6862 -7.6861 -7.6614 -7.6614 -4.4336 -4.4335 -2.8893 -2.8889 0.7396 0.7520 5.1531 5.1945 5.6270 5.6339 6.0440 6.0743 6.5703 6.6285 6.9014 6.9058 7.1787 7.2099 7.3190 7.3338 9.2466 9.2681 9.5787 9.5808 k = 0.0488 0.0282-0.0000 ( 3845 PWs) bands (ev): -8.5720 -8.5618 -8.5570 -8.5570 -8.5557 -8.5540 -8.5472 -8.5466 -7.7700 -7.7536 -7.7523 -7.7487 -7.7082 -7.7016 -7.6893 -7.6885 -7.6863 -7.6861 -7.6615 -7.6615 -4.4244 -4.4243 -2.8818 -2.8814 0.7409 0.7575 5.0790 5.1329 5.5670 5.5790 5.9633 5.9928 6.4922 6.5430 6.8870 6.8873 7.2710 7.3065 7.4444 7.4551 9.2511 9.2809 9.5799 9.5843 k = 0.0610 0.0352-0.0000 ( 3847 PWs) bands (ev): -8.5736 -8.5613 -8.5571 -8.5570 -8.5558 -8.5536 -8.5469 -8.5458 -7.7726 -7.7538 -7.7522 -7.7461 -7.7088 -7.7007 -7.6892 -7.6885 -7.6865 -7.6860 -7.6616 -7.6616 -4.4125 -4.4125 -2.8722 -2.8717 0.7431 0.7639 4.9870 5.0509 5.5067 5.5228 5.8611 5.8847 6.4329 6.4719 6.8649 6.8674 7.3749 7.4109 7.5656 7.5740 9.2565 9.2947 9.5857 9.5927 k = 0.0732 0.0422-0.0000 ( 3849 PWs) bands (ev): -8.5753 -8.5611 -8.5571 -8.5571 -8.5559 -8.5533 -8.5465 -8.5448 -7.7751 -7.7541 -7.7520 -7.7436 -7.7095 -7.6998 -7.6892 -7.6884 -7.6867 -7.6859 -7.6618 -7.6617 -4.3981 -4.3980 -2.8605 -2.8600 0.7459 0.7712 4.8803 4.9514 5.4485 5.4665 5.7420 5.7580 6.3862 6.4120 6.8385 6.8430 7.4841 7.5157 7.6814 7.6908 9.2631 9.3090 9.5986 9.6078 k = 0.0854 0.0493-0.0000 ( 3861 PWs) bands (ev): -8.5770 -8.5610 -8.5572 -8.5571 -8.5561 -8.5529 -8.5461 -8.5437 -7.7776 -7.7544 -7.7519 -7.7411 -7.7101 -7.6990 -7.6891 -7.6885 -7.6869 -7.6857 -7.6620 -7.6619 -4.3811 -4.3810 -2.8468 -2.8463 0.7494 0.7792 4.7627 4.8387 5.3913 5.4089 5.6116 5.6212 6.3459 6.3593 6.8080 6.8142 7.5932 7.6151 7.7911 7.8060 9.2722 9.3244 9.6201 9.6304 k = 0.0976 0.0563-0.0000 ( 3867 PWs) bands (ev): -8.5787 -8.5610 -8.5572 -8.5572 -8.5563 -8.5525 -8.5457 -8.5424 -7.7800 -7.7548 -7.7518 -7.7386 -7.7106 -7.6982 -7.6890 -7.6886 -7.6872 -7.6854 -7.6622 -7.6620 -4.3616 -4.3614 -2.8310 -2.8305 0.7533 0.7877 4.6377 4.7170 5.3310 5.3440 5.4773 5.4843 6.3078 6.3104 6.7737 6.7812 7.6975 7.7047 7.8940 7.9192 9.2864 9.3428 9.6506 9.6604 k = 0.1098 0.0634-0.0000 ( 3863 PWs) bands (ev): -8.5803 -8.5611 -8.5573 -8.5572 -8.5565 -8.5522 -8.5453 -8.5411 -7.7824 -7.7552 -7.7516 -7.7363 -7.7111 -7.6975 -7.6889 -7.6886 -7.6874 -7.6850 -7.6624 -7.6622 -4.3395 -4.3392 -2.8133 -2.8129 0.7576 0.7967 4.5083 4.5901 5.2525 5.2529 5.3554 5.3693 6.2629 6.2697 6.7357 6.7442 7.7824 7.7929 7.9899 8.0285 9.3088 9.3675 9.6890 9.6970 k = 0.1220 0.0704-0.0000 ( 3851 PWs) bands (ev): -8.5819 -8.5613 -8.5573 -8.5572 -8.5567 -8.5518 -8.5449 -8.5397 -7.7846 -7.7556 -7.7514 -7.7340 -7.7116 -7.6968 -7.6888 -7.6887 -7.6876 -7.6846 -7.6626 -7.6623 -4.3149 -4.3146 -2.7937 -2.7933 0.7619 0.8059 4.3767 4.4605 5.1204 5.1331 5.2713 5.2916 6.2154 6.2301 6.6943 6.7037 7.8473 7.8762 8.0784 8.1314 9.3427 9.4020 9.7338 9.7388 k = 0.1341 0.0774-0.0000 ( 3863 PWs) bands (ev): -8.5834 -8.5616 -8.5574 -8.5573 -8.5569 -8.5514 -8.5444 -8.5384 -7.7868 -7.7561 -7.7512 -7.7318 -7.7120 -7.6964 -7.6890 -7.6887 -7.6875 -7.6842 -7.6629 -7.6625 -4.2879 -4.2875 -2.7722 -2.7720 0.7661 0.8152 4.2446 4.3303 4.9699 4.9885 5.2093 5.2302 6.1668 6.1885 6.6498 6.6599 7.8998 7.9449 8.1590 8.2247 9.3905 9.4493 9.7831 9.7845 k = 0.1463 0.0845-0.0000 ( 3865 PWs) bands (ev): -8.5849 -8.5620 -8.5575 -8.5573 -8.5570 -8.5511 -8.5440 -8.5371 -7.7889 -7.7567 -7.7510 -7.7297 -7.7124 -7.6960 -7.6892 -7.6885 -7.6874 -7.6837 -7.6632 -7.6626 -4.2584 -4.2579 -2.7490 -2.7490 0.7699 0.8242 4.1135 4.2010 4.8137 4.8366 5.1528 5.1732 6.1166 6.1444 6.6025 6.6133 7.9405 7.9980 8.2317 8.3065 9.4534 9.5109 9.8324 9.8351 k = 0.1585 0.0915-0.0000 ( 3865 PWs) bands (ev): -8.5863 -8.5625 -8.5577 -8.5574 -8.5571 -8.5507 -8.5435 -8.5358 -7.7909 -7.7573 -7.7508 -7.7277 -7.7127 -7.6959 -7.6895 -7.6883 -7.6871 -7.6831 -7.6634 -7.6627 -4.2265 -4.2259 -2.7244 -2.7241 0.7730 0.8327 3.9847 4.0738 4.6555 4.6822 5.0979 5.1177 6.0646 6.0977 6.5529 6.5643 7.9705 8.0358 8.2964 8.3758 9.5307 9.5865 9.8808 9.8881 k = 0.1707 0.0986-0.0000 ( 3865 PWs) bands (ev): -8.5877 -8.5631 -8.5578 -8.5574 -8.5571 -8.5504 -8.5430 -8.5345 -7.7928 -7.7580 -7.7505 -7.7258 -7.7130 -7.6959 -7.6898 -7.6879 -7.6867 -7.6826 -7.6637 -7.6628 -4.1923 -4.1916 -2.6983 -2.6976 0.7751 0.8404 3.8590 3.9499 4.4967 4.5271 5.0437 5.0629 6.0106 6.0483 6.5013 6.5134 7.9909 8.0598 8.3536 8.4330 9.6201 9.6733 9.9280 9.9406 k = 0.1829 0.1056-0.0000 ( 3859 PWs) bands (ev): -8.5890 -8.5638 -8.5580 -8.5575 -8.5570 -8.5501 -8.5425 -8.5333 -7.7945 -7.7588 -7.7503 -7.7240 -7.7133 -7.6960 -7.6901 -7.6875 -7.6863 -7.6821 -7.6640 -7.6629 -4.1559 -4.1550 -2.6708 -2.6698 0.7760 0.8469 3.7376 3.8299 4.3382 4.3722 4.9899 5.0086 5.9544 5.9962 6.4483 6.4609 8.0027 8.0719 8.4037 8.4796 9.7183 9.7663 9.9718 9.9914 k = 0.1951 0.1127-0.0000 ( 3861 PWs) bands (ev): -8.5902 -8.5645 -8.5581 -8.5575 -8.5570 -8.5498 -8.5420 -8.5322 -7.7961 -7.7596 -7.7500 -7.7224 -7.7135 -7.6963 -7.6904 -7.6870 -7.6858 -7.6815 -7.6643 -7.6629 -4.1171 -4.1161 -2.6421 -2.6406 0.7752 0.8518 3.6212 3.7147 4.1803 4.2183 4.9366 4.9549 5.8961 5.9416 6.3943 6.4075 8.0074 8.0744 8.4473 8.5172 9.8209 9.8573 10.0101 10.0408 k = 0.2073 0.1197-0.0000 ( 3861 PWs) bands (ev): -8.5914 -8.5653 -8.5582 -8.5575 -8.5569 -8.5495 -8.5415 -8.5311 -7.7977 -7.7605 -7.7496 -7.7210 -7.7137 -7.6966 -7.6906 -7.6864 -7.6852 -7.6810 -7.6646 -7.6629 -4.0762 -4.0751 -2.6124 -2.6104 0.7725 0.8547 3.5106 3.6048 4.0237 4.0660 4.8838 4.9019 5.8358 5.8844 6.3397 6.3535 8.0062 8.0694 8.4847 8.5473 9.9233 9.9340 10.0415 10.0927 k = 0.2195 0.1267-0.0000 ( 3855 PWs) bands (ev): -8.5924 -8.5662 -8.5583 -8.5576 -8.5567 -8.5492 -8.5410 -8.5301 -7.7990 -7.7614 -7.7492 -7.7197 -7.7139 -7.6970 -7.6908 -7.6858 -7.6847 -7.6805 -7.6648 -7.6629 -4.0333 -4.0319 -2.5817 -2.5792 0.7674 0.8551 3.4067 3.5005 3.8686 3.9160 4.8319 4.8498 5.7735 5.8247 6.2852 6.2995 8.0002 8.0589 8.5164 8.5712 9.9845 10.0170 10.0694 10.1512 k = 0.2317 0.1338-0.0000 ( 3865 PWs) bands (ev): -8.5934 -8.5672 -8.5584 -8.5576 -8.5566 -8.5490 -8.5405 -8.5292 -7.8003 -7.7625 -7.7488 -7.7187 -7.7140 -7.6975 -7.6908 -7.6852 -7.6841 -7.6800 -7.6651 -7.6628 -3.9883 -3.9868 -2.5504 -2.5472 0.7597 0.8528 3.3101 3.4020 3.7154 3.7692 4.7809 4.7987 5.7093 5.7627 6.2310 6.2457 7.9905 8.0443 8.5427 8.5898 10.0107 10.0653 10.1281 10.2104 k = 0.2439 0.1408-0.0000 ( 3861 PWs) bands (ev): -8.5943 -8.5682 -8.5584 -8.5576 -8.5564 -8.5487 -8.5400 -8.5284 -7.8014 -7.7636 -7.7484 -7.7178 -7.7141 -7.6980 -7.6907 -7.6847 -7.6834 -7.6795 -7.6653 -7.6627 -3.9414 -3.9398 -2.5187 -2.5148 0.7492 0.8473 3.2213 3.3087 3.5645 3.6270 4.7310 4.7488 5.6434 5.6985 6.1778 6.1927 7.9778 8.0268 8.5640 8.6039 10.0228 10.0789 10.2057 10.2617 k = 0.2561 0.1479-0.0000 ( 3861 PWs) bands (ev): -8.5952 -8.5692 -8.5584 -8.5576 -8.5562 -8.5485 -8.5395 -8.5277 -7.8024 -7.7648 -7.7479 -7.7173 -7.7141 -7.6985 -7.6906 -7.6841 -7.6828 -7.6791 -7.6656 -7.6626 -3.8927 -3.8909 -2.4867 -2.4822 0.7357 0.8383 3.1406 3.2188 3.4167 3.4919 4.6824 4.7002 5.5759 5.6324 6.1257 6.1408 7.9630 8.0073 8.5805 8.6140 10.0279 10.0865 10.2728 10.3039 k = 0.2683 0.1549-0.0000 ( 3861 PWs) bands (ev): -8.5959 -8.5704 -8.5584 -8.5576 -8.5560 -8.5483 -8.5389 -8.5271 -7.8032 -7.7660 -7.7474 -7.7171 -7.7139 -7.6990 -7.6904 -7.6836 -7.6821 -7.6787 -7.6658 -7.6624 -3.8423 -3.8404 -2.4549 -2.4497 0.7192 0.8256 3.0673 3.1288 3.2732 3.3681 4.6352 4.6532 5.5072 5.5645 6.0752 6.0903 7.9466 7.9865 8.5926 8.6206 10.0297 10.0919 10.3245 10.3386 k = 0.2805 0.1619-0.0000 ( 3861 PWs) bands (ev): -8.5965 -8.5715 -8.5584 -8.5576 -8.5558 -8.5482 -8.5384 -8.5265 -7.8039 -7.7673 -7.7469 -7.7172 -7.7135 -7.6995 -7.6900 -7.6831 -7.6813 -7.6783 -7.6659 -7.6622 -3.7904 -3.7883 -2.4235 -2.4176 0.6999 0.8094 2.9980 3.0328 3.1381 3.2619 4.5897 4.6078 5.4374 5.4951 6.0266 6.0415 7.9291 7.9650 8.6008 8.6240 10.0301 10.0960 10.3610 10.3672 k = 0.2927 0.1690-0.0000 ( 3859 PWs) bands (ev): -8.5971 -8.5727 -8.5584 -8.5576 -8.5555 -8.5481 -8.5379 -8.5260 -7.8044 -7.7686 -7.7463 -7.7176 -7.7131 -7.7000 -7.6896 -7.6826 -7.6806 -7.6780 -7.6661 -7.6619 -3.7370 -3.7348 -2.3928 -2.3862 0.6779 0.7896 2.9185 2.9263 3.0259 3.1781 4.5458 4.5642 5.3668 5.4245 5.9800 5.9946 7.9110 7.9430 8.6055 8.6246 10.0296 10.0988 10.3865 10.3907 k = 0.3049 0.1760-0.0000 ( 3855 PWs) bands (ev): -8.5975 -8.5739 -8.5584 -8.5576 -8.5553 -8.5480 -8.5373 -8.5257 -7.8048 -7.7700 -7.7457 -7.7181 -7.7126 -7.7005 -7.6892 -7.6821 -7.6799 -7.6777 -7.6661 -7.6617 -3.6824 -3.6801 -2.3634 -2.3560 0.6538 0.7668 2.8088 2.8102 2.9569 3.1158 4.5038 4.5225 5.2959 5.3532 5.9357 5.9498 7.8925 7.9210 8.6070 8.6229 10.0287 10.1000 10.4053 10.4098 k = 0.3171 0.1831-0.0000 ( 3855 PWs) bands (ev): -8.5979 -8.5752 -8.5584 -8.5576 -8.5550 -8.5479 -8.5368 -8.5254 -7.8051 -7.7715 -7.7450 -7.7186 -7.7122 -7.7011 -7.6886 -7.6817 -7.6792 -7.6775 -7.6662 -7.6614 -3.6268 -3.6244 -2.3354 -2.3274 0.6282 0.7415 2.6832 2.6892 2.9168 3.0704 4.4638 4.4827 5.2250 5.2814 5.8937 5.9072 7.8739 7.8993 8.6059 8.6191 10.0273 10.0992 10.4199 10.4251 k = 0.3293 0.1901-0.0000 ( 3849 PWs) bands (ev): -8.5982 -8.5764 -8.5583 -8.5576 -8.5547 -8.5479 -8.5362 -8.5252 -7.8052 -7.7730 -7.7444 -7.7193 -7.7117 -7.7016 -7.6881 -7.6813 -7.6785 -7.6773 -7.6662 -7.6611 -3.5704 -3.5679 -2.3094 -2.3009 0.6018 0.7144 2.5556 2.5670 2.8915 3.0381 4.4258 4.4451 5.1544 5.2097 5.8541 5.8669 7.8555 7.8781 8.6027 8.6136 10.0252 10.0960 10.4316 10.4371 k = 0.3415 0.1971-0.0000 ( 3849 PWs) bands (ev): -8.5984 -8.5777 -8.5583 -8.5576 -8.5544 -8.5479 -8.5357 -8.5250 -7.8052 -7.7745 -7.7437 -7.7201 -7.7113 -7.7021 -7.6875 -7.6809 -7.6779 -7.6772 -7.6661 -7.6609 -3.5134 -3.5109 -2.2858 -2.2767 0.5755 0.6864 2.4301 2.4460 2.8766 3.0160 4.3899 4.4096 5.0847 5.1384 5.8171 5.8291 7.8376 7.8575 8.5977 8.6068 10.0224 10.0905 10.4411 10.4465 k = 0.3537 0.2042-0.0000 ( 3847 PWs) bands (ev): -8.5985 -8.5790 -8.5582 -8.5576 -8.5541 -8.5479 -8.5351 -8.5250 -7.8051 -7.7761 -7.7429 -7.7209 -7.7110 -7.7025 -7.6869 -7.6806 -7.6774 -7.6771 -7.6659 -7.6606 -3.4562 -3.4537 -2.2649 -2.2555 0.5502 0.6585 2.3081 2.3276 2.8702 3.0024 4.3563 4.3764 5.0163 5.0680 5.7827 5.7939 7.8202 7.8377 8.5915 8.5992 10.0188 10.0828 10.4487 10.4536 k = 0.3659 0.2112-0.0000 ( 3835 PWs) bands (ev): -8.5985 -8.5803 -8.5582 -8.5576 -8.5537 -8.5480 -8.5346 -8.5250 -7.8048 -7.7777 -7.7421 -7.7217 -7.7106 -7.7030 -7.6863 -7.6802 -7.6770 -7.6769 -7.6657 -7.6604 -3.3992 -3.3967 -2.2471 -2.2375 0.5268 0.6317 2.1907 2.2129 2.8710 2.9958 4.3251 4.3455 4.9498 4.9992 5.7510 5.7612 7.8036 7.8190 8.5845 8.5909 10.0145 10.0735 10.4546 10.4589 k = 0.3780 0.2183-0.0000 ( 3827 PWs) bands (ev): -8.5984 -8.5816 -8.5581 -8.5576 -8.5534 -8.5480 -8.5340 -8.5250 -7.8044 -7.7793 -7.7413 -7.7226 -7.7103 -7.7035 -7.6856 -7.6799 -7.6769 -7.6765 -7.6654 -7.6602 -3.3427 -3.3402 -2.2328 -2.2231 0.5062 0.6067 2.0784 2.1027 2.8778 2.9948 4.2962 4.3169 4.8857 4.9324 5.7219 5.7313 7.7880 7.8014 8.5769 8.5823 10.0096 10.0631 10.4590 10.4627 k = 0.3902 0.2253-0.0000 ( 3837 PWs) bands (ev): -8.5982 -8.5829 -8.5581 -8.5576 -8.5531 -8.5481 -8.5334 -8.5252 -7.8039 -7.7809 -7.7405 -7.7235 -7.7100 -7.7039 -7.6850 -7.6797 -7.6769 -7.6762 -7.6650 -7.6600 -3.2872 -3.2849 -2.2220 -2.2125 0.4891 0.5844 1.9720 1.9978 2.8896 2.9983 4.2698 4.2906 4.8247 4.8682 5.6955 5.7040 7.7734 7.7850 8.5692 8.5737 10.0043 10.0520 10.4623 10.4653 k = 0.4024 0.2323-0.0000 ( 3835 PWs) bands (ev): -8.5980 -8.5841 -8.5580 -8.5576 -8.5527 -8.5483 -8.5329 -8.5254 -7.8033 -7.7825 -7.7397 -7.7244 -7.7096 -7.7043 -7.6844 -7.6795 -7.6769 -7.6760 -7.6646 -7.6599 -3.2335 -3.2313 -2.2149 -2.2057 0.4761 0.5653 1.8723 1.8989 2.9052 3.0051 4.2461 4.2667 4.7674 4.8073 5.6719 5.6794 7.7601 7.7700 8.5616 8.5654 9.9990 10.0408 10.4644 10.4669 k = 0.4146 0.2394-0.0000 ( 3835 PWs) bands (ev): -8.5976 -8.5854 -8.5580 -8.5576 -8.5524 -8.5484 -8.5323 -8.5256 -7.8025 -7.7842 -7.7388 -7.7254 -7.7093 -7.7047 -7.6838 -7.6793 -7.6769 -7.6759 -7.6641 -7.6599 -3.1821 -3.1801 -2.2112 -2.2027 0.4676 0.5497 1.7801 1.8068 2.9236 3.0140 4.2250 4.2452 4.7146 4.7505 5.6511 5.6576 7.7481 7.7565 8.5543 8.5575 9.9939 10.0299 10.4658 10.4678 k = 0.4268 0.2464-0.0000 ( 3829 PWs) bands (ev): -8.5972 -8.5866 -8.5579 -8.5576 -8.5520 -8.5486 -8.5317 -8.5259 -7.8017 -7.7858 -7.7379 -7.7264 -7.7090 -7.7051 -7.6832 -7.6792 -7.6769 -7.6758 -7.6637 -7.6598 -3.1339 -3.1322 -2.2108 -2.2029 0.4634 0.5374 1.6966 1.7226 2.9437 3.0237 4.2067 4.2261 4.6670 4.6984 5.6330 5.6387 7.7375 7.7445 8.5477 8.5503 9.9892 10.0196 10.4666 10.4682 k = 0.4390 0.2535-0.0000 ( 3833 PWs) bands (ev): -8.5967 -8.5878 -8.5579 -8.5576 -8.5517 -8.5488 -8.5312 -8.5263 -7.8008 -7.7874 -7.7370 -7.7273 -7.7087 -7.7055 -7.6826 -7.6791 -7.6769 -7.6758 -7.6632 -7.6599 -3.0900 -3.0885 -2.2128 -2.2059 0.4635 0.5281 1.6229 1.6473 2.9645 3.0332 4.1914 4.2093 4.6254 4.6520 5.6178 5.6225 7.7285 7.7342 8.5418 8.5439 9.9852 10.0102 10.4669 10.4682 k = 0.4512 0.2605-0.0000 ( 3841 PWs) bands (ev): -8.5961 -8.5889 -8.5578 -8.5576 -8.5514 -8.5490 -8.5306 -8.5267 -7.7997 -7.7889 -7.7361 -7.7283 -7.7084 -7.7059 -7.6821 -7.6792 -7.6769 -7.6759 -7.6627 -7.6600 -3.0515 -3.0503 -2.2166 -2.2109 0.4671 0.5212 1.5604 1.5821 2.9848 3.0414 4.1792 4.1949 4.5905 4.6120 5.6054 5.6092 7.7211 7.7256 8.5368 8.5385 9.9821 10.0018 10.4670 10.4679 k = 0.4634 0.2676-0.0000 ( 3837 PWs) bands (ev): -8.5954 -8.5900 -8.5578 -8.5576 -8.5510 -8.5493 -8.5301 -8.5271 -7.7986 -7.7905 -7.7351 -7.7293 -7.7081 -7.7062 -7.6815 -7.6793 -7.6768 -7.6760 -7.6622 -7.6601 -3.0195 -3.0186 -2.2210 -2.2166 0.4735 0.5156 1.5105 1.5283 3.0037 3.0471 4.1702 4.1829 4.5631 4.5793 5.5959 5.5987 7.7154 7.7187 8.5328 8.5341 9.9800 9.9946 10.4669 10.4676 k = 0.4756 0.2746-0.0000 ( 3843 PWs) bands (ev): -8.5947 -8.5910 -8.5577 -8.5576 -8.5507 -8.5495 -8.5295 -8.5275 -7.7974 -7.7920 -7.7342 -7.7303 -7.7078 -7.7066 -7.6810 -7.6795 -7.6766 -7.6761 -7.6617 -7.6604 -2.9955 -2.9949 -2.2251 -2.2221 0.4814 0.5104 1.4748 1.4874 3.0202 3.0497 4.1645 4.1735 4.5438 4.5546 5.5892 5.5910 7.7114 7.7136 8.5300 8.5308 9.9791 9.9888 10.4668 10.4673 k = 0.4878 0.2816-0.0000 ( 3841 PWs) bands (ev): -8.5939 -8.5920 -8.5577 -8.5577 -8.5504 -8.5498 -8.5290 -8.5280 -7.7962 -7.7934 -7.7332 -7.7313 -7.7075 -7.7069 -7.6806 -7.6798 -7.6765 -7.6762 -7.6613 -7.6606 -2.9805 -2.9802 -2.2277 -2.2262 0.4899 0.5047 1.4542 1.4608 3.0335 3.0484 4.1621 4.1668 4.5331 4.5385 5.5853 5.5863 7.7092 7.7103 8.5284 8.5288 9.9795 9.9843 10.4668 10.4670 k = 0.5000 0.2887-0.0000 ( 3850 PWs) bands (ev): -8.5930 -8.5930 -8.5577 -8.5577 -8.5501 -8.5501 -8.5285 -8.5285 -7.7948 -7.7948 -7.7323 -7.7323 -7.7072 -7.7072 -7.6802 -7.6802 -7.6763 -7.6763 -7.6610 -7.6610 -2.9753 -2.9753 -2.2282 -2.2282 0.4978 0.4978 1.4495 1.4495 3.0430 3.0430 4.1629 4.1629 4.5313 4.5313 5.5844 5.5844 7.7088 7.7088 8.5279 8.5279 9.9812 9.9812 10.4669 10.4669 k = 0.5000 0.2887-0.0000 ( 3850 PWs) bands (ev): -8.5930 -8.5930 -8.5577 -8.5577 -8.5501 -8.5501 -8.5285 -8.5285 -7.7948 -7.7948 -7.7323 -7.7323 -7.7072 -7.7072 -7.6802 -7.6802 -7.6763 -7.6763 -7.6610 -7.6610 -2.9753 -2.9753 -2.2282 -2.2282 0.4978 0.4978 1.4495 1.4495 3.0430 3.0430 4.1629 4.1629 4.5313 4.5313 5.5844 5.5844 7.7088 7.7088 8.5279 8.5279 9.9812 9.9812 10.4669 10.4669 k = 0.4931 0.3007-0.0000 ( 3850 PWs) bands (ev): -8.5931 -8.5929 -8.5596 -8.5558 -8.5503 -8.5498 -8.5285 -8.5285 -7.7979 -7.7917 -7.7339 -7.7306 -7.7078 -7.7067 -7.6805 -7.6799 -7.6763 -7.6763 -7.6613 -7.6606 -2.9742 -2.9741 -2.2283 -2.2279 0.4972 0.5001 1.4488 1.4497 3.0397 3.0473 4.1504 4.1624 4.5281 4.5318 5.5749 5.5759 7.7164 7.7251 8.5371 8.5427 9.9431 9.9837 10.4483 10.5134 k = 0.4861 0.3127-0.0000 ( 3846 PWs) bands (ev): -8.5932 -8.5929 -8.5615 -8.5540 -8.5503 -8.5495 -8.5285 -8.5284 -7.8010 -7.7886 -7.7354 -7.7290 -7.7083 -7.7062 -7.6809 -7.6796 -7.6763 -7.6763 -7.6616 -7.6604 -2.9709 -2.9708 -2.2283 -2.2275 0.4983 0.5041 1.4474 1.4491 3.0373 3.0527 4.1254 4.1495 4.5225 4.5297 5.5482 5.5500 7.7474 7.7646 8.5693 8.5807 9.8814 9.9470 10.4626 10.5749 k = 0.4792 0.3248-0.0000 ( 3826 PWs) bands (ev): -8.5933 -8.5930 -8.5633 -8.5525 -8.5500 -8.5492 -8.5285 -8.5284 -7.8040 -7.7855 -7.7370 -7.7275 -7.7089 -7.7056 -7.6813 -7.6794 -7.6763 -7.6763 -7.6620 -7.6601 -2.9655 -2.9653 -2.2281 -2.2269 0.5010 0.5097 1.4453 1.4479 3.0355 3.0591 4.0886 4.1251 4.5146 4.5251 5.5057 5.5082 7.8009 7.8263 8.6231 8.6405 9.8060 9.8810 10.5015 10.6412 k = 0.4722 0.3368-0.0000 ( 3826 PWs) bands (ev): -8.5935 -8.5930 -8.5652 -8.5516 -8.5490 -8.5488 -8.5285 -8.5283 -7.8070 -7.7824 -7.7385 -7.7259 -7.7095 -7.7052 -7.6816 -7.6793 -7.6763 -7.6762 -7.6623 -7.6599 -2.9578 -2.9576 -2.2279 -2.2263 0.5054 0.5171 1.4424 1.4459 3.0342 3.0663 4.0415 4.0906 4.5046 4.5181 5.4496 5.4527 7.8755 7.9086 8.6959 8.7197 9.7230 9.7984 10.5541 10.7068 k = 0.4653 0.3488-0.0000 ( 3822 PWs) bands (ev): -8.5937 -8.5931 -8.5670 -8.5513 -8.5484 -8.5475 -8.5285 -8.5283 -7.8099 -7.7793 -7.7400 -7.7244 -7.7101 -7.7047 -7.6820 -7.6792 -7.6762 -7.6761 -7.6626 -7.6597 -2.9480 -2.9478 -2.2277 -2.2257 0.5115 0.5261 1.4386 1.4431 3.0330 3.0740 3.9861 4.0481 4.4927 4.5088 5.3827 5.3862 7.9692 8.0098 8.7848 8.8156 9.6357 9.7075 10.6144 10.7695 k = 0.4583 0.3608-0.0000 ( 3822 PWs) bands (ev): -8.5939 -8.5933 -8.5688 -8.5511 -8.5479 -8.5458 -8.5285 -8.5282 -7.8127 -7.7763 -7.7414 -7.7230 -7.7106 -7.7043 -7.6824 -7.6791 -7.6762 -7.6760 -7.6629 -7.6595 -2.9361 -2.9358 -2.2275 -2.2252 0.5191 0.5368 1.4339 1.4393 3.0312 3.0819 3.9246 4.0000 4.4787 4.4973 5.3075 5.3113 8.0800 8.1278 8.8865 8.9251 9.5465 9.6131 10.6797 10.8293 k = 0.4514 0.3729-0.0000 ( 3820 PWs) bands (ev): -8.5941 -8.5934 -8.5706 -8.5510 -8.5475 -8.5441 -8.5285 -8.5281 -7.8154 -7.7734 -7.7428 -7.7218 -7.7112 -7.7038 -7.6827 -7.6791 -7.6762 -7.6759 -7.6632 -7.6594 -2.9221 -2.9218 -2.2276 -2.2250 0.5284 0.5491 1.4279 1.4343 3.0284 3.0893 3.8598 3.9488 4.4626 4.4836 5.2267 5.2307 8.2057 8.2607 8.9979 9.0452 9.4572 9.5182 10.7496 10.8874 k = 0.4444 0.3849-0.0000 ( 3828 PWs) bands (ev): -8.5944 -8.5936 -8.5723 -8.5508 -8.5471 -8.5424 -8.5285 -8.5280 -7.8181 -7.7705 -7.7441 -7.7207 -7.7116 -7.7035 -7.6830 -7.6791 -7.6763 -7.6758 -7.6635 -7.6593 -2.9060 -2.9057 -2.2281 -2.2251 0.5392 0.5631 1.4205 1.4280 3.0237 3.0953 3.7943 3.8971 4.4441 4.4674 5.1426 5.1468 8.3442 8.4066 9.1152 9.1728 9.3694 9.4255 10.8245 10.9455 k = 0.4375 0.3969-0.0000 ( 3830 PWs) bands (ev): -8.5946 -8.5938 -8.5740 -8.5506 -8.5466 -8.5407 -8.5284 -8.5279 -7.8206 -7.7676 -7.7453 -7.7198 -7.7119 -7.7031 -7.6833 -7.6791 -7.6763 -7.6758 -7.6636 -7.6593 -2.8880 -2.8876 -2.2290 -2.2257 0.5516 0.5787 1.4116 1.4202 3.0162 3.0984 3.7314 3.8476 4.4231 4.4486 5.0573 5.0618 8.4934 8.5639 9.2295 9.2731 9.3160 9.3423 10.9053 11.0054 k = 0.4306 0.4090-0.0000 ( 3824 PWs) bands (ev): -8.5948 -8.5939 -8.5756 -8.5503 -8.5463 -8.5392 -8.5284 -8.5277 -7.8229 -7.7649 -7.7464 -7.7194 -7.7119 -7.7028 -7.6836 -7.6791 -7.6764 -7.6757 -7.6638 -7.6593 -2.8679 -2.8676 -2.2306 -2.2270 0.5656 0.5959 1.4009 1.4106 3.0051 3.0969 3.6743 3.8028 4.3994 4.4269 4.9727 4.9775 8.6513 8.7309 9.1967 9.2302 9.3779 9.4450 10.9930 11.0686 k = 0.4236 0.4210-0.0000 ( 3832 PWs) bands (ev): -8.5950 -8.5941 -8.5772 -8.5501 -8.5459 -8.5377 -8.5283 -8.5275 -7.8252 -7.7623 -7.7474 -7.7193 -7.7117 -7.7026 -7.6837 -7.6791 -7.6764 -7.6758 -7.6638 -7.6593 -2.8460 -2.8457 -2.2331 -2.2293 0.5810 0.6147 1.3881 1.3991 2.9896 3.0886 3.6265 3.7647 4.3728 4.4023 4.8903 4.8956 8.8158 8.9058 9.1177 9.1512 9.4969 9.5806 11.0885 11.1363 k = 0.4167 0.4330-0.0000 ( 3830 PWs) bands (ev): -8.5952 -8.5943 -8.5787 -8.5498 -8.5456 -8.5363 -8.5282 -8.5273 -7.8273 -7.7598 -7.7483 -7.7197 -7.7112 -7.7024 -7.6839 -7.6791 -7.6765 -7.6758 -7.6638 -7.6593 -2.8223 -2.8220 -2.2367 -2.2326 0.5980 0.6351 1.3731 1.3854 2.9694 3.0717 3.5911 3.7351 4.3432 4.3746 4.8115 4.8174 8.9828 9.0371 9.0747 9.0932 9.6182 9.7144 11.1925 11.2086 k = 0.4097 0.4450-0.0000 ( 3828 PWs) bands (ev): -8.5953 -8.5944 -8.5802 -8.5495 -8.5454 -8.5351 -8.5281 -8.5271 -7.8293 -7.7574 -7.7490 -7.7203 -7.7105 -7.7023 -7.6840 -7.6791 -7.6766 -7.6759 -7.6638 -7.6594 -2.7968 -2.7966 -2.2415 -2.2373 0.6164 0.6571 1.3556 1.3693 2.9446 3.0453 3.5699 3.7149 4.3108 4.3438 4.7372 4.7439 8.9695 8.9949 9.1595 9.2778 9.7371 9.8440 11.2843 11.3050 k = 0.4028 0.4571-0.0000 ( 3830 PWs) bands (ev): -8.5954 -8.5945 -8.5816 -8.5491 -8.5452 -8.5340 -8.5280 -8.5269 -7.8311 -7.7554 -7.7494 -7.7212 -7.7098 -7.7022 -7.6840 -7.6791 -7.6767 -7.6761 -7.6637 -7.6595 -2.7697 -2.7695 -2.2479 -2.2435 0.6364 0.6807 1.3354 1.3506 2.9160 3.0108 3.5626 3.7041 4.2757 4.3103 4.6680 4.6757 8.9041 8.9267 9.3291 9.4693 9.8529 9.9673 11.3590 11.4252 k = 0.3958 0.4691-0.0000 ( 3826 PWs) bands (ev): -8.5955 -8.5946 -8.5830 -8.5488 -8.5450 -8.5330 -8.5278 -8.5267 -7.8327 -7.7539 -7.7492 -7.7222 -7.7090 -7.7022 -7.6839 -7.6790 -7.6768 -7.6762 -7.6635 -7.6596 -2.7410 -2.7410 -2.2560 -2.2515 0.6579 0.7058 1.3124 1.3291 2.8849 2.9705 3.5675 3.7024 4.2385 4.2747 4.6044 4.6130 8.8441 8.8635 9.4946 9.6633 9.9662 10.0832 11.4213 11.5502 k = 0.3889 0.4811-0.0000 ( 3830 PWs) bands (ev): -8.5955 -8.5946 -8.5843 -8.5485 -8.5449 -8.5322 -8.5275 -8.5265 -7.8342 -7.7533 -7.7482 -7.7233 -7.7082 -7.7022 -7.6839 -7.6790 -7.6769 -7.6764 -7.6633 -7.6598 -2.7111 -2.7109 -2.2661 -2.2616 0.6808 0.7326 1.2865 1.3048 2.8527 2.9276 3.5821 3.7089 4.1998 4.2379 4.5463 4.5558 8.7900 8.8064 9.6503 9.8575 10.0788 10.1906 11.4551 11.6312 k = 0.3819 0.4932-0.0000 ( 3826 PWs) bands (ev): -8.5955 -8.5946 -8.5856 -8.5481 -8.5449 -8.5316 -8.5273 -8.5263 -7.8355 -7.7533 -7.7466 -7.7245 -7.7075 -7.7024 -7.6837 -7.6789 -7.6770 -7.6766 -7.6631 -7.6599 -2.6799 -2.6796 -2.2784 -2.2739 0.7053 0.7611 1.2578 1.2776 2.8210 2.8846 3.6043 3.7224 4.1604 4.2007 4.4936 4.5036 8.7421 8.7556 9.7901 10.0486 10.1926 10.2890 11.4596 11.6292 k = 0.3750 0.5052-0.0000 ( 3826 PWs) bands (ev): -8.5954 -8.5946 -8.5869 -8.5477 -8.5449 -8.5311 -8.5269 -8.5261 -7.8366 -7.7535 -7.7448 -7.7258 -7.7069 -7.7025 -7.6836 -7.6788 -7.6771 -7.6768 -7.6628 -7.6601 -2.6477 -2.6471 -2.2932 -2.2888 0.7313 0.7912 1.2264 1.2475 2.7913 2.8438 3.6324 3.7419 4.1210 4.1641 4.4462 4.4561 8.7005 8.7114 9.9090 10.2323 10.3077 10.3786 11.4509 11.6346 k = 0.3681 0.5172-0.0000 ( 3830 PWs) bands (ev): -8.5953 -8.5945 -8.5880 -8.5474 -8.5449 -8.5308 -8.5266 -8.5260 -7.8375 -7.7538 -7.7429 -7.7271 -7.7063 -7.7027 -7.6834 -7.6787 -7.6773 -7.6770 -7.6625 -7.6603 -2.6145 -2.6137 -2.3105 -2.3063 0.7586 0.8231 1.1927 1.2147 2.7648 2.8068 3.6650 3.7665 4.0819 4.1288 4.4042 4.4133 8.6655 8.6740 10.0051 10.4012 10.4200 10.4594 11.4430 11.6551 k = 0.3611 0.5292-0.0000 ( 3826 PWs) bands (ev): -8.5951 -8.5943 -8.5892 -8.5471 -8.5450 -8.5305 -8.5263 -8.5258 -7.8383 -7.7540 -7.7411 -7.7285 -7.7057 -7.7029 -7.6832 -7.6786 -7.6774 -7.6772 -7.6623 -7.6605 -2.5807 -2.5796 -2.3307 -2.3267 0.7872 0.8569 1.1571 1.1795 2.7425 2.7746 3.7012 3.7949 4.0431 4.0947 4.3681 4.3756 8.6370 8.6434 10.0795 10.5212 10.5286 10.5480 11.4472 11.6957 k = 0.3542 0.5413-0.0000 ( 3818 PWs) bands (ev): -8.5948 -8.5941 -8.5902 -8.5467 -8.5452 -8.5303 -8.5260 -8.5257 -7.8389 -7.7542 -7.7394 -7.7300 -7.7053 -7.7032 -7.6831 -7.6785 -7.6775 -7.6774 -7.6620 -7.6607 -2.5463 -2.5448 -2.3538 -2.3502 0.8163 0.8925 1.1209 1.1423 2.7252 2.7482 3.7399 3.8263 4.0045 4.0618 4.3385 4.3439 8.6151 8.6196 10.1347 10.5924 10.6030 10.6537 11.4711 11.7586 k = 0.3472 0.5533-0.0000 ( 3810 PWs) bands (ev): -8.5945 -8.5938 -8.5912 -8.5464 -8.5454 -8.5302 -8.5258 -8.5257 -7.8393 -7.7543 -7.7377 -7.7315 -7.7048 -7.7035 -7.6829 -7.6784 -7.6775 -7.6775 -7.6617 -7.6609 -2.5118 -2.5098 -2.3800 -2.3767 0.8444 0.9297 1.0861 1.1038 2.7134 2.7280 3.7802 3.8592 3.9659 4.0296 4.3165 4.3195 8.5997 8.6025 10.1727 10.6452 10.6606 10.7146 11.5123 11.8385 k = 0.3403 0.5653-0.0000 ( 3798 PWs) bands (ev): -8.5941 -8.5936 -8.5921 -8.5461 -8.5456 -8.5301 -8.5257 -8.5256 -7.8395 -7.7543 -7.7360 -7.7330 -7.7044 -7.7038 -7.6828 -7.6783 -7.6776 -7.6776 -7.6615 -7.6611 -2.4775 -2.4748 -2.4090 -2.4064 0.8678 0.9671 1.0572 1.0660 2.7075 2.7144 3.8195 3.8902 3.9285 3.9998 4.3029 4.3039 8.5909 8.5922 10.1948 10.6865 10.6946 10.7326 11.5508 11.9151 k = 0.3333 0.5774-0.0000 ( 3804 PWs) bands (ev): -8.5937 -8.5937 -8.5925 -8.5458 -8.5458 -8.5301 -8.5257 -8.5257 -7.8396 -7.7544 -7.7345 -7.7345 -7.7041 -7.7041 -7.6828 -7.6783 -7.6776 -7.6776 -7.6613 -7.6613 -2.4495 -2.4441 -2.4352 -2.4352 0.8780 0.9911 1.0433 1.0433 2.7077 2.7077 3.8430 3.9063 3.9063 3.9837 4.2984 4.2984 8.5884 8.5884 10.2020 10.7082 10.7082 10.7252 11.5649 11.9407 k = 0.3333 0.5774-0.0000 ( 3804 PWs) bands (ev): -8.5937 -8.5937 -8.5925 -8.5458 -8.5458 -8.5301 -8.5257 -8.5257 -7.8396 -7.7544 -7.7345 -7.7345 -7.7041 -7.7041 -7.6828 -7.6783 -7.6776 -7.6776 -7.6613 -7.6613 -2.4495 -2.4441 -2.4352 -2.4352 0.8780 0.9911 1.0433 1.0433 2.7077 2.7077 3.8430 3.9063 3.9063 3.9837 4.2984 4.2984 8.5884 8.5884 10.2020 10.7082 10.7082 10.7252 11.5649 11.9407 k = 0.3262 0.5651-0.0000 ( 3799 PWs) bands (ev): -8.5944 -8.5932 -8.5922 -8.5461 -8.5456 -8.5301 -8.5257 -8.5256 -7.8395 -7.7543 -7.7360 -7.7330 -7.7044 -7.7038 -7.6828 -7.6783 -7.6776 -7.6776 -7.6615 -7.6611 -2.4797 -2.4770 -2.4072 -2.4043 0.8664 0.9663 1.0540 1.0721 2.7079 2.7143 3.8176 3.8866 3.9319 4.0015 4.3036 4.3038 8.5910 8.5922 10.1949 10.6770 10.7053 10.7341 11.5533 11.9106 k = 0.3191 0.5528-0.0000 ( 3807 PWs) bands (ev): -8.5952 -8.5927 -8.5917 -8.5464 -8.5453 -8.5302 -8.5258 -8.5257 -7.8393 -7.7543 -7.7376 -7.7315 -7.7048 -7.7035 -7.6829 -7.6783 -7.6776 -7.6775 -7.6617 -7.6610 -2.5191 -2.5171 -2.3740 -2.3703 0.8374 0.9266 1.0857 1.1191 2.7152 2.7274 3.7727 3.8472 3.9757 4.0367 4.3186 4.3201 8.6002 8.6022 10.1746 10.6258 10.6886 10.7321 11.5248 11.8552 k = 0.3121 0.5405-0.0000 ( 3817 PWs) bands (ev): -8.5959 -8.5921 -8.5911 -8.5468 -8.5451 -8.5304 -8.5260 -8.5258 -7.8389 -7.7542 -7.7391 -7.7301 -7.7051 -7.7033 -7.6831 -7.6784 -7.6776 -7.6774 -7.6618 -7.6609 -2.5619 -2.5605 -2.3420 -2.3375 0.8009 0.8860 1.1296 1.1715 2.7294 2.7470 3.7232 3.8015 4.0231 4.0766 4.3429 4.3467 8.6154 8.6182 10.1429 10.5650 10.6601 10.7135 11.4828 11.7701 k = 0.3050 0.5282-0.0000 ( 3817 PWs) bands (ev): -8.5967 -8.5914 -8.5904 -8.5471 -8.5449 -8.5307 -8.5261 -8.5259 -7.8384 -7.7540 -7.7407 -7.7288 -7.7054 -7.7031 -7.6834 -7.6785 -7.6775 -7.6773 -7.6620 -7.6608 -2.6078 -2.6069 -2.3116 -2.3063 0.7620 0.8464 1.1813 1.2280 2.7504 2.7727 3.6716 3.7526 4.0721 4.1189 4.3758 4.3824 8.6366 8.6399 10.1015 10.4980 10.6211 10.6789 11.4246 11.6663 k = 0.2979 0.5159-0.0000 ( 3811 PWs) bands (ev): -8.5973 -8.5907 -8.5896 -8.5475 -8.5448 -8.5310 -8.5264 -8.5259 -7.8377 -7.7539 -7.7422 -7.7275 -7.7057 -7.7029 -7.6836 -7.6785 -7.6775 -7.6772 -7.6622 -7.6608 -2.6565 -2.6561 -2.2834 -2.2773 0.7237 0.8091 1.2388 1.2884 2.7777 2.8045 3.6190 3.7020 4.1224 4.1631 4.4165 4.4260 8.6634 8.6670 10.0524 10.4268 10.5730 10.6307 11.3489 11.5549 k = 0.2908 0.5036-0.0000 ( 3819 PWs) bands (ev): -8.5980 -8.5899 -8.5888 -8.5479 -8.5447 -8.5315 -8.5267 -8.5260 -7.8369 -7.7537 -7.7437 -7.7263 -7.7061 -7.7027 -7.6840 -7.6786 -7.6774 -7.6771 -7.6623 -7.6608 -2.7078 -2.7077 -2.2578 -2.2508 0.6873 0.7748 1.3014 1.3526 2.8111 2.8420 3.5661 3.6507 4.1741 4.2096 4.4639 4.4760 8.6954 8.6992 9.9972 10.3529 10.5171 10.5719 11.2594 11.4408 k = 0.2837 0.4914-0.0000 ( 3823 PWs) bands (ev): -8.5985 -8.5891 -8.5879 -8.5483 -8.5446 -8.5321 -8.5270 -8.5260 -7.8360 -7.7535 -7.7451 -7.7251 -7.7064 -7.7025 -7.6844 -7.6787 -7.6774 -7.6770 -7.6624 -7.6609 -2.7619 -2.7613 -2.2351 -2.2273 0.6541 0.7441 1.3688 1.4209 2.8501 2.8851 3.5138 3.5994 4.2275 4.2585 4.5172 4.5314 8.7322 8.7361 9.9374 10.2771 10.4548 10.5053 11.1610 11.3263 k = 0.2766 0.4791-0.0000 ( 3823 PWs) bands (ev): -8.5990 -8.5882 -8.5869 -8.5488 -8.5445 -8.5328 -8.5273 -8.5260 -7.8349 -7.7532 -7.7465 -7.7240 -7.7067 -7.7024 -7.6848 -7.6787 -7.6774 -7.6769 -7.6626 -7.6610 -2.8179 -2.8170 -2.2157 -2.2072 0.6247 0.7177 1.4408 1.4931 2.8940 2.9333 3.4629 3.5488 4.2829 4.3103 4.5754 4.5912 8.7735 8.7772 9.8743 10.2001 10.3875 10.4336 11.0580 11.2127 k = 0.2695 0.4668-0.0000 ( 3827 PWs) bands (ev): -8.5994 -8.5873 -8.5859 -8.5492 -8.5445 -8.5337 -8.5277 -8.5259 -7.8338 -7.7530 -7.7479 -7.7230 -7.7070 -7.7022 -7.6853 -7.6788 -7.6775 -7.6769 -7.6627 -7.6612 -2.8758 -2.8745 -2.2001 -2.1908 0.5998 0.6958 1.5173 1.5694 2.9423 2.9865 3.4143 3.4993 4.3404 4.3649 4.6376 4.6546 8.8187 8.8220 9.8088 10.1226 10.3167 10.3590 10.9530 11.1006 k = 0.2624 0.4545-0.0000 ( 3823 PWs) bands (ev): -8.5998 -8.5864 -8.5849 -8.5497 -8.5444 -8.5346 -8.5281 -8.5259 -7.8326 -7.7528 -7.7492 -7.7220 -7.7074 -7.7020 -7.6858 -7.6789 -7.6775 -7.6769 -7.6628 -7.6614 -2.9351 -2.9335 -2.1884 -2.1785 0.5799 0.6790 1.5983 1.6499 2.9935 3.0443 3.3694 3.4516 4.4001 4.4223 4.7033 4.7210 8.8671 8.8701 9.7421 10.0449 10.2436 10.2831 10.8478 10.9906 k = 0.2553 0.4422-0.0000 ( 3817 PWs) bands (ev): -8.6001 -8.5854 -8.5837 -8.5501 -8.5445 -8.5355 -8.5286 -8.5258 -7.8313 -7.7525 -7.7504 -7.7210 -7.7077 -7.7019 -7.6864 -7.6790 -7.6776 -7.6769 -7.6629 -7.6616 -2.9956 -2.9937 -2.1809 -2.1705 0.5651 0.6674 1.6836 1.7344 3.0453 3.1065 3.3309 3.4062 4.4621 4.4826 4.7718 4.7899 8.9181 8.9205 9.6749 9.9673 10.1694 10.2075 10.7433 10.8829 k = 0.2482 0.4299-0.0000 ( 3817 PWs) bands (ev): -8.6003 -8.5844 -8.5826 -8.5506 -8.5445 -8.5366 -8.5291 -8.5257 -7.8299 -7.7523 -7.7515 -7.7201 -7.7080 -7.7017 -7.6870 -7.6792 -7.6777 -7.6769 -7.6630 -7.6619 -3.0570 -3.0549 -2.1777 -2.1668 0.5557 0.6611 1.7732 1.8230 3.0920 3.1727 3.3049 3.3637 4.5264 4.5455 4.8429 4.8609 8.9704 8.9726 9.6083 9.8902 10.0952 10.1335 10.6404 10.7777 k = 0.2411 0.4177-0.0000 ( 3833 PWs) bands (ev): -8.6005 -8.5834 -8.5814 -8.5510 -8.5446 -8.5377 -8.5296 -8.5257 -7.8285 -7.7526 -7.7520 -7.7193 -7.7083 -7.7015 -7.6875 -7.6794 -7.6778 -7.6769 -7.6631 -7.6621 -3.1190 -3.1167 -2.1788 -2.1677 0.5517 0.6599 1.8670 1.9157 3.1209 3.2426 3.3040 3.3247 4.5927 4.6109 4.9159 4.9338 9.0223 9.0249 9.5434 9.8137 10.0222 10.0627 10.5396 10.6753 k = 0.2340 0.4054-0.0000 ( 3827 PWs) bands (ev): -8.6006 -8.5823 -8.5802 -8.5515 -8.5447 -8.5388 -8.5301 -8.5257 -7.8270 -7.7536 -7.7518 -7.7185 -7.7087 -7.7013 -7.6882 -7.6796 -7.6779 -7.6770 -7.6632 -7.6624 -3.1815 -3.1790 -2.1843 -2.1730 0.5527 0.6635 1.9649 2.0124 3.1227 3.2890 3.3166 3.3381 4.6610 4.6786 4.9907 5.0083 9.0709 9.0759 9.4823 9.7381 9.9518 9.9968 10.4411 10.5758 k = 0.2270 0.3931-0.0000 ( 3821 PWs) bands (ev): -8.6006 -8.5812 -8.5789 -8.5520 -8.5448 -8.5399 -8.5306 -8.5256 -7.8255 -7.7545 -7.7516 -7.7177 -7.7090 -7.7011 -7.6888 -7.6799 -7.6781 -7.6771 -7.6633 -7.6627 -3.2440 -3.2415 -2.1939 -2.1826 0.5584 0.6717 2.0669 2.1131 3.1081 3.2588 3.3930 3.3966 4.7310 4.7483 5.0670 5.0840 9.1109 9.1230 9.4285 9.6634 9.8860 9.9381 10.3453 10.4793 k = 0.2199 0.3808-0.0000 ( 3819 PWs) bands (ev): -8.6006 -8.5801 -8.5777 -8.5524 -8.5449 -8.5411 -8.5312 -8.5256 -7.8239 -7.7553 -7.7513 -7.7171 -7.7094 -7.7008 -7.6894 -7.6802 -7.6782 -7.6772 -7.6634 -7.6630 -3.3065 -3.3039 -2.2074 -2.1963 0.5684 0.6837 2.1730 2.2176 3.0897 3.2333 3.4674 3.4725 4.8025 4.8198 5.1445 5.1608 9.1331 9.1631 9.3883 9.5898 9.8279 9.8896 10.2526 10.3861 k = 0.2128 0.3685-0.0000 ( 3831 PWs) bands (ev): -8.6004 -8.5790 -8.5764 -8.5529 -8.5451 -8.5423 -8.5318 -8.5257 -7.8223 -7.7561 -7.7511 -7.7165 -7.7097 -7.7005 -7.6900 -7.6805 -7.6784 -7.6773 -7.6635 -7.6632 -3.3686 -3.3660 -2.2245 -2.2138 0.5820 0.6989 2.2828 2.3259 3.0735 3.2136 3.5449 3.5548 4.8753 4.8927 5.2230 5.2385 9.1274 9.1919 9.3665 9.5175 9.7825 9.8553 10.1631 10.2962 k = 0.2057 0.3562-0.0000 ( 3835 PWs) bands (ev): -8.6002 -8.5779 -8.5751 -8.5533 -8.5453 -8.5434 -8.5324 -8.5258 -7.8207 -7.7567 -7.7509 -7.7160 -7.7101 -7.7003 -7.6906 -7.6809 -7.6785 -7.6776 -7.6636 -7.6635 -3.4303 -3.4276 -2.2449 -2.2346 0.5985 0.7165 2.3965 2.4378 3.0620 3.2003 3.6269 3.6394 4.9492 4.9670 5.3023 5.3169 9.0951 9.2052 9.3545 9.4463 9.7568 9.8386 10.0774 10.2100 k = 0.1986 0.3440-0.0000 ( 3831 PWs) bands (ev): -8.5999 -8.5768 -8.5738 -8.5537 -8.5455 -8.5446 -8.5329 -8.5259 -7.8191 -7.7573 -7.7508 -7.7156 -7.7104 -7.6999 -7.6912 -7.6813 -7.6787 -7.6778 -7.6637 -7.6637 -3.4912 -3.4885 -2.2683 -2.2585 0.6171 0.7356 2.5139 2.5533 3.0569 3.1938 3.7121 3.7260 5.0238 5.0421 5.3823 5.3958 9.0472 9.2004 9.3352 9.3763 9.7560 9.8406 9.9964 10.1278 k = 0.1915 0.3317-0.0000 ( 3831 PWs) bands (ev): -8.5996 -8.5757 -8.5725 -8.5541 -8.5458 -8.5457 -8.5336 -8.5261 -7.8174 -7.7577 -7.7506 -7.7154 -7.7108 -7.6996 -7.6917 -7.6817 -7.6789 -7.6781 -7.6639 -7.6638 -3.5511 -3.5486 -2.2941 -2.2850 0.6371 0.7555 2.6348 2.6721 3.0594 3.1949 3.8000 3.8145 5.0988 5.1179 5.4626 5.4751 8.9923 9.1784 9.3008 9.3076 9.7783 9.8532 9.9269 10.0504 k = 0.1844 0.3194-0.0000 ( 3835 PWs) bands (ev): -8.5991 -8.5746 -8.5713 -8.5545 -8.5468 -8.5460 -8.5342 -8.5263 -7.8157 -7.7581 -7.7505 -7.7152 -7.7111 -7.6993 -7.6921 -7.6822 -7.6791 -7.6785 -7.6640 -7.6639 -3.6101 -3.6076 -2.3220 -2.3136 0.6575 0.7752 2.7592 2.7939 3.0705 3.2040 3.8899 3.9045 5.1740 5.1940 5.5433 5.5545 8.9345 9.1425 9.2399 9.2533 9.8133 9.8235 9.9174 9.9811 k = 0.1773 0.3071-0.0000 ( 3833 PWs) bands (ev): -8.5986 -8.5735 -8.5700 -8.5549 -8.5479 -8.5462 -8.5348 -8.5266 -7.8140 -7.7583 -7.7504 -7.7152 -7.7114 -7.6989 -7.6925 -7.6827 -7.6794 -7.6789 -7.6641 -7.6639 -3.6678 -3.6654 -2.3516 -2.3440 0.6777 0.7940 2.8869 2.9178 3.0915 3.2216 3.9814 3.9956 5.2491 5.2701 5.6240 5.6339 8.8757 9.0969 9.1732 9.1974 9.7582 9.8360 9.9373 9.9564 k = 0.1702 0.2948-0.0000 ( 3839 PWs) bands (ev): -8.5980 -8.5724 -8.5688 -8.5553 -8.5490 -8.5465 -8.5354 -8.5270 -7.8123 -7.7585 -7.7503 -7.7153 -7.7118 -7.6985 -7.6928 -7.6832 -7.6796 -7.6793 -7.6642 -7.6640 -3.7241 -3.7219 -2.3826 -2.3757 0.6970 0.8111 3.0179 3.0397 3.1271 3.2480 4.0741 4.0875 5.3237 5.3460 5.7045 5.7131 8.8168 9.0447 9.1074 9.1366 9.6923 9.8035 9.9563 10.0042 k = 0.1631 0.2825-0.0000 ( 3831 PWs) bands (ev): -8.5974 -8.5713 -8.5676 -8.5556 -8.5500 -8.5468 -8.5361 -8.5275 -7.8106 -7.7586 -7.7503 -7.7156 -7.7121 -7.6981 -7.6930 -7.6837 -7.6799 -7.6798 -7.6643 -7.6640 -3.7790 -3.7769 -2.4145 -2.4083 0.7149 0.8260 3.1325 3.1519 3.2043 3.2836 4.1677 4.1800 5.3976 5.4211 5.7848 5.7919 8.7583 8.9884 9.0423 9.0729 9.6298 9.7472 10.0025 10.0529 k = 0.1560 0.2702-0.0000 ( 3839 PWs) bands (ev): -8.5966 -8.5703 -8.5664 -8.5559 -8.5509 -8.5471 -8.5367 -8.5280 -7.8089 -7.7586 -7.7503 -7.7160 -7.7123 -7.6977 -7.6931 -7.6843 -7.6804 -7.6801 -7.6643 -7.6641 -3.8322 -3.8302 -2.4469 -2.4416 0.7308 0.8384 3.1910 3.2883 3.3286 3.3291 4.2616 4.2726 5.4706 5.4953 5.8645 5.8702 8.7002 8.9291 8.9776 9.0073 9.5714 9.6895 10.0501 10.0984 k = 0.1489 0.2580-0.0000 ( 3837 PWs) bands (ev): -8.5958 -8.5692 -8.5653 -8.5562 -8.5519 -8.5475 -8.5374 -8.5286 -7.8071 -7.7585 -7.7503 -7.7167 -7.7126 -7.6973 -7.6931 -7.6848 -7.6809 -7.6805 -7.6642 -7.6640 -3.8837 -3.8819 -2.4797 -2.4751 0.7444 0.8478 3.2509 3.3812 3.4301 3.4639 4.3556 4.3650 5.5423 5.5683 5.9434 5.9477 8.6427 8.8678 8.9131 8.9403 9.5176 9.6346 10.0923 10.1369 k = 0.1418 0.2457-0.0000 ( 3833 PWs) bands (ev): -8.5949 -8.5682 -8.5642 -8.5565 -8.5527 -8.5478 -8.5380 -8.5292 -7.8053 -7.7584 -7.7503 -7.7175 -7.7128 -7.6969 -7.6930 -7.6853 -7.6815 -7.6808 -7.6642 -7.6640 -3.9334 -3.9318 -2.5124 -2.5085 0.7557 0.8544 3.3186 3.4449 3.5722 3.6034 4.4493 4.4569 5.6125 5.6397 6.0213 6.0241 8.5856 8.8049 8.8485 8.8721 9.4686 9.5834 10.1252 10.1655 k = 0.1348 0.2334-0.0000 ( 3833 PWs) bands (ev): -8.5939 -8.5673 -8.5632 -8.5567 -8.5535 -8.5481 -8.5387 -8.5300 -7.8035 -7.7582 -7.7504 -7.7184 -7.7130 -7.6965 -7.6928 -7.6859 -7.6822 -7.6811 -7.6641 -7.6640 -3.9812 -3.9797 -2.5449 -2.5416 0.7645 0.8581 3.3950 3.5170 3.7172 3.7459 4.5422 4.5478 5.6810 5.7093 6.0979 6.0993 8.5287 8.7403 8.7834 8.8026 9.4245 9.5365 10.1457 10.1812 k = 0.1277 0.2211-0.0000 ( 3837 PWs) bands (ev): -8.5929 -8.5663 -8.5623 -8.5569 -8.5542 -8.5485 -8.5394 -8.5308 -7.8016 -7.7580 -7.7505 -7.7196 -7.7130 -7.6962 -7.6926 -7.6864 -7.6828 -7.6815 -7.6639 -7.6639 -4.0270 -4.0257 -2.5768 -2.5742 0.7709 0.8591 3.4797 3.5975 3.8646 3.8909 4.6340 4.6373 5.7476 5.7767 6.1730 6.1730 8.4716 8.6739 8.7175 8.7315 9.3856 9.4941 10.1517 10.1821 k = 0.1206 0.2088-0.0000 ( 3841 PWs) bands (ev): -8.5917 -8.5655 -8.5614 -8.5571 -8.5549 -8.5489 -8.5400 -8.5317 -7.7998 -7.7577 -7.7506 -7.7209 -7.7131 -7.6959 -7.6923 -7.6869 -7.6835 -7.6819 -7.6638 -7.6638 -4.0707 -4.0695 -2.6081 -2.6060 0.7750 0.8577 3.5724 3.6861 4.0141 4.0379 4.7244 4.7251 5.8122 5.8418 6.2449 6.2462 8.4139 8.6054 8.6503 8.6585 9.3518 9.4566 10.1419 10.1671 k = 0.1135 0.1965-0.0000 ( 3845 PWs) bands (ev): -8.5905 -8.5646 -8.5605 -8.5573 -8.5555 -8.5493 -8.5407 -8.5327 -7.7978 -7.7574 -7.7507 -7.7224 -7.7130 -7.6956 -7.6919 -7.6873 -7.6841 -7.6824 -7.6636 -7.6636 -4.1122 -4.1112 -2.6383 -2.6368 0.7771 0.8541 3.6725 3.7821 4.1653 4.1866 4.8110 4.8129 5.8747 5.9044 6.3147 6.3172 8.3549 8.5343 8.5814 8.5832 9.3234 9.4239 10.1164 10.1368 k = 0.1064 0.1843-0.0000 ( 3853 PWs) bands (ev): -8.5893 -8.5638 -8.5598 -8.5574 -8.5560 -8.5496 -8.5413 -8.5338 -7.7958 -7.7570 -7.7508 -7.7240 -7.7130 -7.6955 -7.6915 -7.6877 -7.6847 -7.6828 -7.6635 -7.6635 -4.1516 -4.1507 -2.6675 -2.6664 0.7774 0.8487 3.7793 3.8849 4.3180 4.3365 4.8946 4.8994 5.9349 5.9642 6.3821 6.3857 8.2938 8.4597 8.5053 8.5102 9.3002 9.3962 10.0768 10.0931 k = 0.0993 0.1720-0.0000 ( 3853 PWs) bands (ev): -8.5879 -8.5631 -8.5591 -8.5575 -8.5564 -8.5500 -8.5420 -8.5349 -7.7938 -7.7567 -7.7510 -7.7257 -7.7128 -7.6954 -7.6911 -7.6881 -7.6853 -7.6832 -7.6633 -7.6633 -4.1886 -4.1879 -2.6954 -2.6947 0.7762 0.8419 3.8920 3.9938 4.4716 4.4871 4.9757 4.9836 5.9929 6.0212 6.4468 6.4513 8.2298 8.3810 8.4244 8.4362 9.2821 9.3735 10.0255 10.0386 k = 0.0922 0.1597-0.0000 ( 3861 PWs) bands (ev): -8.5865 -8.5625 -8.5584 -8.5576 -8.5567 -8.5504 -8.5426 -8.5361 -7.7917 -7.7563 -7.7511 -7.7276 -7.7126 -7.6955 -7.6907 -7.6883 -7.6857 -7.6837 -7.6631 -7.6631 -4.2233 -4.2227 -2.7219 -2.7215 0.7738 0.8340 4.0098 4.1080 4.6254 4.6376 5.0546 5.0657 6.0486 6.0751 6.5085 6.5137 8.1614 8.2973 8.3405 8.3590 9.2688 9.3557 9.9658 9.9767 k = 0.0851 0.1474-0.0000 ( 3869 PWs) bands (ev): -8.5851 -8.5619 -8.5579 -8.5576 -8.5570 -8.5508 -8.5432 -8.5374 -7.7895 -7.7560 -7.7513 -7.7296 -7.7123 -7.6958 -7.6903 -7.6885 -7.6861 -7.6841 -7.6629 -7.6629 -4.2557 -4.2551 -2.7469 -2.7468 0.7705 0.8252 4.1318 4.2266 4.7782 4.7867 5.1318 5.1462 6.1023 6.1260 6.5669 6.5726 8.0874 8.2077 8.2538 8.2781 9.2602 9.3424 9.9014 9.9112 k = 0.0780 0.1351-0.0000 ( 3863 PWs) bands (ev): -8.5836 -8.5615 -8.5577 -8.5573 -8.5571 -8.5512 -8.5438 -8.5387 -7.7873 -7.7556 -7.7514 -7.7317 -7.7120 -7.6962 -7.6898 -7.6886 -7.6865 -7.6846 -7.6627 -7.6627 -4.2856 -4.2852 -2.7703 -2.7702 0.7666 0.8161 4.2570 4.3486 4.9279 4.9323 5.2089 5.2265 6.1540 6.1738 6.6217 6.6276 8.0062 8.1118 8.1646 8.1930 9.2554 9.3331 9.8360 9.8454 k = 0.0709 0.1228-0.0000 ( 3867 PWs) bands (ev): -8.5820 -8.5612 -8.5577 -8.5572 -8.5569 -8.5517 -8.5444 -8.5400 -7.7850 -7.7553 -7.7515 -7.7339 -7.7116 -7.6967 -7.6895 -7.6888 -7.6866 -7.6850 -7.6625 -7.6625 -4.3130 -4.3127 -2.7921 -2.7918 0.7623 0.8067 4.3841 4.4726 5.0697 5.0704 5.2898 5.3096 6.2042 6.2188 6.6725 6.6785 7.9168 8.0093 8.0733 8.1032 9.2538 9.3269 9.7730 9.7828 k = 0.0638 0.1106-0.0000 ( 3871 PWs) bands (ev): -8.5804 -8.5609 -8.5576 -8.5572 -8.5566 -8.5521 -8.5449 -8.5413 -7.7826 -7.7549 -7.7517 -7.7362 -7.7112 -7.6974 -7.6891 -7.6889 -7.6867 -7.6853 -7.6623 -7.6623 -4.3380 -4.3377 -2.8121 -2.8116 0.7579 0.7973 4.5119 4.5972 5.1945 5.1948 5.3830 5.4014 6.2533 6.2612 6.7193 6.7250 7.8190 7.9006 7.9798 8.0083 9.2544 9.3225 9.7158 9.7263 k = 0.0567 0.0983-0.0000 ( 3873 PWs) bands (ev): -8.5788 -8.5609 -8.5575 -8.5571 -8.5563 -8.5525 -8.5455 -8.5425 -7.7802 -7.7546 -7.7518 -7.7385 -7.7107 -7.6981 -7.6890 -7.6888 -7.6867 -7.6856 -7.6621 -7.6621 -4.3604 -4.3602 -2.8300 -2.8295 0.7536 0.7882 4.6384 4.7202 5.2943 5.2976 5.4966 5.5075 6.3018 6.3023 6.7617 6.7669 7.7137 7.7864 7.8834 7.9078 9.2558 9.3185 9.6670 9.6781 k = 0.0496 0.0860-0.0000 ( 3865 PWs) bands (ev): -8.5771 -8.5609 -8.5574 -8.5570 -8.5561 -8.5528 -8.5459 -8.5437 -7.7778 -7.7543 -7.7519 -7.7410 -7.7101 -7.6989 -7.6891 -7.6886 -7.6866 -7.6859 -7.6619 -7.6619 -4.3802 -4.3801 -2.8460 -2.8455 0.7496 0.7796 4.7615 4.8391 5.3724 5.3806 5.6256 5.6259 6.3417 6.3527 6.7997 6.8039 7.6031 7.6684 7.7833 7.8016 9.2569 9.3129 9.6290 9.6398 k = 0.0426 0.0737-0.0000 ( 3863 PWs) bands (ev): -8.5754 -8.5610 -8.5573 -8.5570 -8.5559 -8.5532 -8.5464 -8.5448 -7.7753 -7.7540 -7.7521 -7.7435 -7.7095 -7.6998 -7.6892 -7.6885 -7.6865 -7.6861 -7.6618 -7.6618 -4.3974 -4.3973 -2.8600 -2.8594 0.7461 0.7715 4.8781 4.9502 5.4395 5.4508 5.7471 5.7577 6.3835 6.4068 6.8330 6.8359 7.4902 7.5486 7.6785 7.6896 9.2564 9.3047 9.6027 9.6121 k = 0.0355 0.0614-0.0000 ( 3853 PWs) bands (ev): -8.5737 -8.5613 -8.5572 -8.5569 -8.5558 -8.5536 -8.5468 -8.5458 -7.7727 -7.7538 -7.7522 -7.7460 -7.7089 -7.7006 -7.6892 -7.6885 -7.6864 -7.6861 -7.6616 -7.6616 -4.4121 -4.4120 -2.8718 -2.8713 0.7432 0.7642 4.9846 5.0491 5.5028 5.5144 5.8619 5.8826 6.4311 6.4678 6.8617 6.8628 7.3786 7.4303 7.5686 7.5720 9.2542 9.2936 9.5873 9.5942 k = 0.0284 0.0491-0.0000 ( 3839 PWs) bands (ev): -8.5720 -8.5617 -8.5571 -8.5569 -8.5557 -8.5539 -8.5471 -8.5466 -7.7701 -7.7536 -7.7523 -7.7487 -7.7082 -7.7015 -7.6893 -7.6885 -7.6863 -7.6861 -7.6615 -7.6615 -4.4241 -4.4240 -2.8816 -2.8811 0.7410 0.7577 5.0770 5.1313 5.5653 5.5747 5.9624 5.9906 6.4906 6.5398 6.8843 6.8857 7.2731 7.3174 7.4493 7.4536 9.2505 9.2809 9.5804 9.5846 k = 0.0213 0.0369-0.0000 ( 3839 PWs) bands (ev): -8.5703 -8.5624 -8.5571 -8.5569 -8.5556 -8.5543 -8.5474 -8.5472 -7.7674 -7.7533 -7.7524 -7.7513 -7.7074 -7.7024 -7.6893 -7.6887 -7.6862 -7.6861 -7.6614 -7.6614 -4.4334 -4.4334 -2.8891 -2.8888 0.7396 0.7521 5.1518 5.1935 5.6261 5.6318 6.0430 6.0729 6.5687 6.6261 6.9001 6.9051 7.1798 7.2153 7.3227 7.3341 9.2466 9.2683 9.5788 9.5808 k = 0.0142 0.0246-0.0000 ( 3839 PWs) bands (ev): -8.5687 -8.5633 -8.5570 -8.5570 -8.5555 -8.5546 -8.5476 -8.5476 -7.7648 -7.7540 -7.7531 -7.7525 -7.7067 -7.7033 -7.6892 -7.6888 -7.6861 -7.6861 -7.6613 -7.6613 -4.4401 -4.4401 -2.8945 -2.8943 0.7392 0.7474 5.2069 5.2347 5.6797 5.6819 6.1011 6.1256 6.6669 6.7270 6.9096 6.9207 7.1059 7.1309 7.1940 7.2111 9.2435 9.2574 9.5796 9.5803 k = 0.0071 0.0123-0.0000 ( 3843 PWs) bands (ev): -8.5672 -8.5644 -8.5570 -8.5570 -8.5553 -8.5548 -8.5478 -8.5478 -7.7621 -7.7567 -7.7530 -7.7527 -7.7059 -7.7042 -7.6892 -7.6889 -7.6860 -7.6860 -7.6613 -7.6613 -4.4441 -4.4441 -2.8978 -2.8976 0.7397 0.7438 5.2422 5.2560 5.7173 5.7176 6.1376 6.1511 6.7781 6.8396 6.9094 6.9350 7.0597 7.0653 7.0754 7.0867 9.2425 9.2493 9.5808 9.5809 k = 0.0000 0.0000 0.0000 ( 3863 PWs) bands (ev): -8.5657 -8.5657 -8.5570 -8.5570 -8.5551 -8.5551 -8.5478 -8.5478 -7.7594 -7.7594 -7.7528 -7.7528 -7.7050 -7.7050 -7.6891 -7.6891 -7.6860 -7.6860 -7.6613 -7.6613 -4.4454 -4.4454 -2.8988 -2.8988 0.7413 0.7413 5.2583 5.2583 5.7308 5.7308 6.1542 6.1542 6.8766 6.8766 6.9544 6.9544 6.9753 6.9753 7.0483 7.0483 9.2443 9.2443 9.5813 9.5813 k = 0.0000 0.0000 0.0000 ( 3863 PWs) bands (ev): -8.5657 -8.5657 -8.5570 -8.5570 -8.5551 -8.5551 -8.5478 -8.5478 -7.7594 -7.7594 -7.7528 -7.7528 -7.7050 -7.7050 -7.6891 -7.6891 -7.6860 -7.6860 -7.6613 -7.6613 -4.4454 -4.4454 -2.8988 -2.8988 0.7413 0.7413 5.2583 5.2583 5.7308 5.7308 6.1542 6.1542 6.8766 6.8766 6.9544 6.9544 6.9753 6.9753 7.0483 7.0483 9.2443 9.2443 9.5813 9.5813 k = 0.0000 0.0000 0.0139 ( 3845 PWs) bands (ev): -8.5657 -8.5657 -8.5570 -8.5570 -8.5551 -8.5551 -8.5479 -8.5479 -7.7594 -7.7594 -7.7528 -7.7528 -7.7050 -7.7050 -7.6891 -7.6891 -7.6860 -7.6860 -7.6613 -7.6613 -4.4441 -4.4441 -2.9023 -2.9023 0.7474 0.7474 5.2595 5.2595 5.7319 5.7319 6.1385 6.1385 6.7835 6.7835 6.9730 6.9730 7.0496 7.0496 7.0572 7.0572 9.2466 9.2466 9.5833 9.5833 k = 0.0000 0.0000 0.0278 ( 3845 PWs) bands (ev): -8.5657 -8.5657 -8.5569 -8.5569 -8.5551 -8.5551 -8.5479 -8.5479 -7.7594 -7.7594 -7.7529 -7.7529 -7.7049 -7.7049 -7.6891 -7.6891 -7.6859 -7.6859 -7.6614 -7.6614 -4.4402 -4.4402 -2.9127 -2.9127 0.7656 0.7656 5.2629 5.2629 5.7355 5.7355 6.0902 6.0902 6.6763 6.6763 6.9661 6.9661 7.0538 7.0538 7.1943 7.1943 9.2535 9.2535 9.5894 9.5894 k = 0.0000 0.0000 0.0418 ( 3839 PWs) bands (ev): -8.5656 -8.5656 -8.5569 -8.5569 -8.5552 -8.5552 -8.5479 -8.5479 -7.7594 -7.7594 -7.7529 -7.7529 -7.7048 -7.7048 -7.6892 -7.6892 -7.6857 -7.6857 -7.6616 -7.6616 -4.4337 -4.4337 -2.9298 -2.9298 0.7958 0.7958 5.2686 5.2686 5.7414 5.7414 6.0082 6.0082 6.5888 6.5888 6.9547 6.9547 7.0606 7.0606 7.3326 7.3326 9.2651 9.2651 9.5994 9.5994 k = 0.0000 0.0000 0.0557 ( 3839 PWs) bands (ev): -8.5655 -8.5655 -8.5568 -8.5568 -8.5553 -8.5553 -8.5480 -8.5480 -7.7594 -7.7594 -7.7530 -7.7530 -7.7047 -7.7047 -7.6893 -7.6893 -7.6855 -7.6855 -7.6618 -7.6618 -4.4247 -4.4247 -2.9533 -2.9533 0.8376 0.8376 5.2766 5.2766 5.7497 5.7497 5.8961 5.8961 6.5213 6.5213 6.9389 6.9389 7.0702 7.0702 7.4670 7.4670 9.2816 9.2816 9.6132 9.6132 k = 0.0000 0.0000 0.0696 ( 3839 PWs) bands (ev): -8.5653 -8.5653 -8.5567 -8.5567 -8.5554 -8.5554 -8.5481 -8.5481 -7.7594 -7.7594 -7.7532 -7.7532 -7.7044 -7.7044 -7.6895 -7.6895 -7.6852 -7.6852 -7.6621 -7.6621 -4.4130 -4.4130 -2.9826 -2.9826 0.8903 0.8903 5.2868 5.2868 5.7603 5.7603 5.7615 5.7615 6.4686 6.4686 6.9190 6.9190 7.0825 7.0825 7.5940 7.5940 9.3033 9.3033 9.6307 9.6307 k = 0.0000 0.0000 0.0835 ( 3838 PWs) bands (ev): -8.5652 -8.5652 -8.5566 -8.5566 -8.5555 -8.5555 -8.5483 -8.5483 -7.7594 -7.7594 -7.7533 -7.7533 -7.7042 -7.7042 -7.6897 -7.6897 -7.6849 -7.6849 -7.6624 -7.6624 -4.3988 -4.3988 -3.0172 -3.0172 0.9536 0.9536 5.2993 5.2993 5.6119 5.6119 5.7733 5.7733 6.4243 6.4243 6.8953 6.8953 7.0975 7.0975 7.7105 7.7105 9.3303 9.3303 9.6518 9.6518 k = 0.0000 0.0000 0.0974 ( 3862 PWs) bands (ev): -8.5650 -8.5650 -8.5564 -8.5564 -8.5556 -8.5556 -8.5484 -8.5484 -7.7593 -7.7593 -7.7535 -7.7535 -7.7039 -7.7039 -7.6899 -7.6899 -7.6845 -7.6845 -7.6628 -7.6628 -4.3821 -4.3821 -3.0565 -3.0565 1.0268 1.0268 5.3139 5.3139 5.4529 5.4529 5.7885 5.7885 6.3841 6.3841 6.8680 6.8680 7.1152 7.1152 7.8132 7.8132 9.3629 9.3629 9.6762 9.6762 k = 0.0000 0.0000 0.1114 ( 3850 PWs) bands (ev): -8.5647 -8.5647 -8.5563 -8.5563 -8.5558 -8.5558 -8.5486 -8.5486 -7.7593 -7.7593 -7.7537 -7.7537 -7.7035 -7.7035 -7.6902 -7.6902 -7.6841 -7.6841 -7.6633 -7.6633 -4.3628 -4.3628 -3.0999 -3.0999 1.1091 1.1091 5.2879 5.2879 5.3307 5.3307 5.8060 5.8060 6.3455 6.3455 6.8375 6.8375 7.1356 7.1356 7.8993 7.8993 9.4009 9.4009 9.7038 9.7038 k = 0.0000 0.0000 0.1253 ( 3856 PWs) bands (ev): -8.5645 -8.5645 -8.5561 -8.5561 -8.5560 -8.5560 -8.5488 -8.5488 -7.7593 -7.7593 -7.7539 -7.7539 -7.7032 -7.7032 -7.6905 -7.6905 -7.6836 -7.6836 -7.6638 -7.6638 -4.3410 -4.3410 -3.1467 -3.1467 1.2000 1.2000 5.1193 5.1193 5.3497 5.3497 5.8256 5.8256 6.3070 6.3070 6.8041 6.8041 7.1587 7.1587 7.9666 7.9666 9.4434 9.4434 9.7343 9.7343 k = 0.0000 0.0000 0.1392 ( 3844 PWs) bands (ev): -8.5642 -8.5642 -8.5562 -8.5562 -8.5559 -8.5559 -8.5490 -8.5490 -7.7592 -7.7592 -7.7541 -7.7541 -7.7028 -7.7028 -7.6908 -7.6908 -7.6830 -7.6830 -7.6643 -7.6643 -4.3168 -4.3168 -3.1964 -3.1964 1.2989 1.2989 4.9483 4.9483 5.3707 5.3707 5.8475 5.8475 6.2681 6.2681 6.7682 6.7682 7.1844 7.1844 8.0141 8.0141 9.4890 9.4890 9.7676 9.7676 k = 0.0000 0.0000 0.1531 ( 3844 PWs) bands (ev): -8.5639 -8.5639 -8.5564 -8.5564 -8.5557 -8.5557 -8.5492 -8.5492 -7.7592 -7.7592 -7.7544 -7.7544 -7.7023 -7.7023 -7.6912 -7.6912 -7.6824 -7.6824 -7.6649 -7.6649 -4.2901 -4.2901 -3.2484 -3.2484 1.4051 1.4051 4.7760 4.7760 5.3938 5.3938 5.8715 5.8715 6.2282 6.2282 6.7300 6.7300 7.2127 7.2127 8.0420 8.0420 9.5359 9.5359 9.8034 9.8034 k = 0.0000 0.0000 0.1670 ( 3838 PWs) bands (ev): -8.5636 -8.5636 -8.5566 -8.5566 -8.5555 -8.5555 -8.5495 -8.5495 -7.7591 -7.7591 -7.7546 -7.7546 -7.7019 -7.7019 -7.6915 -7.6915 -7.6818 -7.6818 -7.6656 -7.6656 -4.2610 -4.2610 -3.3021 -3.3021 1.5181 1.5181 4.6031 4.6031 5.4189 5.4189 5.8975 5.8975 6.1875 6.1875 6.6901 6.6901 7.2436 7.2436 8.0518 8.0518 9.5829 9.5829 9.8417 9.8417 k = 0.0000 0.0000 0.1810 ( 3838 PWs) bands (ev): -8.5633 -8.5633 -8.5569 -8.5569 -8.5552 -8.5552 -8.5497 -8.5497 -7.7590 -7.7590 -7.7549 -7.7549 -7.7014 -7.7014 -7.6919 -7.6919 -7.6811 -7.6811 -7.6663 -7.6663 -4.2295 -4.2295 -3.3571 -3.3571 1.6373 1.6373 4.4300 4.4300 5.4459 5.4459 5.9256 5.9256 6.1460 6.1460 6.6486 6.6486 7.2770 7.2770 8.0461 8.0461 9.6295 9.6295 9.8822 9.8822 k = 0.0000 0.0000 0.1949 ( 3838 PWs) bands (ev): -8.5629 -8.5629 -8.5572 -8.5572 -8.5550 -8.5550 -8.5500 -8.5500 -7.7589 -7.7589 -7.7552 -7.7552 -7.7009 -7.7009 -7.6924 -7.6924 -7.6804 -7.6804 -7.6670 -7.6670 -4.1958 -4.1958 -3.4130 -3.4130 1.7622 1.7622 4.2572 4.2572 5.4748 5.4748 5.9555 5.9555 6.1037 6.1037 6.6059 6.6059 7.3129 7.3129 8.0275 8.0275 9.6761 9.6761 9.9247 9.9247 k = 0.0000 0.0000 0.2088 ( 3838 PWs) bands (ev): -8.5626 -8.5626 -8.5575 -8.5575 -8.5547 -8.5547 -8.5503 -8.5503 -7.7588 -7.7588 -7.7555 -7.7555 -7.7003 -7.7003 -7.6928 -7.6928 -7.6796 -7.6796 -7.6677 -7.6677 -4.1597 -4.1597 -3.4693 -3.4693 1.8924 1.8924 4.0850 4.0850 5.5054 5.5054 5.9874 5.9874 6.0609 6.0609 6.5623 6.5623 7.3511 7.3511 7.9988 7.9988 9.7231 9.7231 9.9692 9.9692 k = 0.0000 0.0000 0.2227 ( 3838 PWs) bands (ev): -8.5622 -8.5622 -8.5578 -8.5578 -8.5544 -8.5544 -8.5506 -8.5506 -7.7586 -7.7586 -7.7558 -7.7558 -7.6998 -7.6998 -7.6933 -7.6933 -7.6788 -7.6788 -7.6685 -7.6685 -4.1214 -4.1214 -3.5256 -3.5256 2.0276 2.0276 3.9139 3.9139 5.5378 5.5378 6.0177 6.0177 6.0210 6.0210 6.5181 6.5181 7.3916 7.3916 7.9624 7.9624 9.7709 9.7709 10.0155 10.0155 k = 0.0000 0.0000 0.2367 ( 3844 PWs) bands (ev): -8.5618 -8.5618 -8.5581 -8.5581 -8.5541 -8.5541 -8.5509 -8.5509 -7.7585 -7.7585 -7.7561 -7.7561 -7.6992 -7.6992 -7.6938 -7.6938 -7.6780 -7.6780 -7.6693 -7.6693 -4.0810 -4.0810 -3.5817 -3.5817 2.1672 2.1672 3.7439 3.7439 5.5717 5.5717 5.9744 5.9744 6.0563 6.0563 6.4736 6.4736 7.4342 7.4342 7.9203 7.9203 9.8197 9.8197 10.0634 10.0634 k = 0.0000 0.0000 0.2506 ( 3826 PWs) bands (ev): -8.5615 -8.5615 -8.5585 -8.5585 -8.5538 -8.5538 -8.5512 -8.5512 -7.7583 -7.7583 -7.7563 -7.7563 -7.6987 -7.6987 -7.6943 -7.6943 -7.6771 -7.6771 -7.6702 -7.6702 -4.0386 -4.0386 -3.6373 -3.6373 2.3110 2.3110 3.5754 3.5754 5.6072 5.6072 5.9312 5.9312 6.0931 6.0931 6.4290 6.4290 7.4789 7.4789 7.8742 7.8742 9.8697 9.8697 10.1129 10.1129 k = 0.0000 0.0000 0.2645 ( 3826 PWs) bands (ev): -8.5611 -8.5611 -8.5588 -8.5588 -8.5535 -8.5535 -8.5515 -8.5515 -7.7581 -7.7581 -7.7566 -7.7566 -7.6981 -7.6981 -7.6948 -7.6948 -7.6763 -7.6763 -7.6710 -7.6710 -3.9941 -3.9941 -3.6922 -3.6922 2.4586 2.4586 3.4087 3.4087 5.6441 5.6441 5.8881 5.8881 6.1314 6.1314 6.3845 6.3845 7.5254 7.5254 7.8254 7.8254 9.9208 9.9208 10.1638 10.1638 k = 0.0000 0.0000 0.2784 ( 3826 PWs) bands (ev): -8.5607 -8.5607 -8.5592 -8.5592 -8.5532 -8.5532 -8.5519 -8.5519 -7.7579 -7.7579 -7.7569 -7.7569 -7.6976 -7.6976 -7.6953 -7.6953 -7.6754 -7.6754 -7.6719 -7.6719 -3.9478 -3.9478 -3.7460 -3.7460 2.6097 2.6097 3.2440 3.2440 5.6823 5.6823 5.8455 5.8455 6.1711 6.1711 6.3403 6.3403 7.5735 7.5735 7.7752 7.7752 9.9731 9.9731 10.1917 10.1917 k = 0.0000 0.0000 0.2923 ( 3820 PWs) bands (ev): -8.5603 -8.5603 -8.5595 -8.5595 -8.5528 -8.5528 -8.5522 -8.5522 -7.7577 -7.7577 -7.7572 -7.7572 -7.6970 -7.6970 -7.6959 -7.6959 -7.6745 -7.6745 -7.6728 -7.6728 -3.8997 -3.8997 -3.7986 -3.7986 2.7641 2.7641 3.0815 3.0815 5.7217 5.7217 5.8034 5.8034 6.2120 6.2120 6.2968 6.2968 7.6229 7.6229 7.7242 7.7242 10.0265 10.0265 10.1359 10.1359 k = 0.0000 0.0000 0.3063 ( 3808 PWs) bands (ev): -8.5599 -8.5599 -8.5599 -8.5599 -8.5525 -8.5525 -8.5525 -8.5525 -7.7574 -7.7574 -7.7574 -7.7574 -7.6964 -7.6964 -7.6964 -7.6964 -7.6736 -7.6736 -7.6736 -7.6736 -3.8499 -3.8499 -3.8499 -3.8499 2.9214 2.9214 2.9214 2.9214 5.7621 5.7621 5.7621 5.7621 6.2539 6.2539 6.2539 6.2539 7.6733 7.6733 7.6733 7.6733 10.0808 10.0808 10.0808 10.0808 k = 0.0000 0.0000 0.3063 ( 3808 PWs) bands (ev): -8.5599 -8.5599 -8.5599 -8.5599 -8.5525 -8.5525 -8.5525 -8.5525 -7.7574 -7.7574 -7.7574 -7.7574 -7.6964 -7.6964 -7.6964 -7.6964 -7.6736 -7.6736 -7.6736 -7.6736 -3.8499 -3.8499 -3.8499 -3.8499 2.9214 2.9214 2.9214 2.9214 5.7621 5.7621 5.7621 5.7621 6.2539 6.2539 6.2539 6.2539 7.6733 7.6733 7.6733 7.6733 10.0808 10.0808 10.0808 10.0808 k = 0.0122 0.0070 0.3063 ( 3816 PWs) bands (ev): -8.5606 -8.5606 -8.5594 -8.5594 -8.5524 -8.5524 -8.5524 -8.5524 -7.7585 -7.7585 -7.7564 -7.7564 -7.6966 -7.6966 -7.6962 -7.6962 -7.6737 -7.6737 -7.6737 -7.6737 -3.8488 -3.8488 -3.8485 -3.8485 2.9182 2.9182 2.9228 2.9228 5.7465 5.7465 5.7627 5.7627 6.2432 6.2432 6.2435 6.2435 7.6802 7.6802 7.6972 7.6972 10.0789 10.0789 10.0830 10.0830 k = 0.0244 0.0141 0.3063 ( 3820 PWs) bands (ev): -8.5614 -8.5614 -8.5591 -8.5591 -8.5522 -8.5522 -8.5521 -8.5521 -7.7596 -7.7596 -7.7553 -7.7553 -7.6968 -7.6968 -7.6959 -7.6959 -7.6737 -7.6737 -7.6737 -7.6737 -3.8453 -3.8453 -3.8447 -3.8447 2.9133 2.9133 2.9224 2.9224 5.7158 5.7158 5.7484 5.7484 6.2127 6.2127 6.2149 6.2149 7.7167 7.7167 7.7494 7.7494 10.0761 10.0761 10.0848 10.0848 k = 0.0366 0.0211 0.3063 ( 3824 PWs) bands (ev): -8.5624 -8.5624 -8.5591 -8.5591 -8.5518 -8.5518 -8.5516 -8.5516 -7.7607 -7.7607 -7.7544 -7.7544 -7.6970 -7.6970 -7.6957 -7.6957 -7.6737 -7.6737 -7.6737 -7.6737 -3.8393 -3.8393 -3.8383 -3.8383 2.9064 2.9064 2.9202 2.9202 5.6696 5.6696 5.7187 5.7187 6.1674 6.1674 6.1738 6.1738 7.7779 7.7779 7.8242 7.8242 10.0693 10.0693 10.0835 10.0835 k = 0.0488 0.0282 0.3063 ( 3828 PWs) bands (ev): -8.5634 -8.5634 -8.5592 -8.5592 -8.5514 -8.5514 -8.5509 -8.5509 -7.7619 -7.7619 -7.7534 -7.7534 -7.6971 -7.6971 -7.6954 -7.6954 -7.6737 -7.6737 -7.6737 -7.6737 -3.8308 -3.8308 -3.8295 -3.8295 2.8973 2.8973 2.9158 2.9158 5.6085 5.6085 5.6734 5.6734 6.1140 6.1140 6.1259 6.1259 7.8572 7.8572 7.9152 7.9152 10.0557 10.0557 10.0760 10.0760 k = 0.0610 0.0352 0.3063 ( 3832 PWs) bands (ev): -8.5644 -8.5644 -8.5594 -8.5594 -8.5510 -8.5510 -8.5501 -8.5501 -7.7630 -7.7630 -7.7525 -7.7525 -7.6971 -7.6971 -7.6951 -7.6951 -7.6738 -7.6738 -7.6737 -7.6737 -3.8198 -3.8198 -3.8183 -3.8183 2.8859 2.8859 2.9090 2.9090 5.5339 5.5339 5.6128 5.6128 6.0581 6.0581 6.0755 6.0755 7.9481 7.9481 8.0161 8.0161 10.0349 10.0349 10.0612 10.0612 k = 0.0732 0.0422 0.3063 ( 3828 PWs) bands (ev): -8.5654 -8.5654 -8.5597 -8.5597 -8.5505 -8.5505 -8.5493 -8.5493 -7.7641 -7.7641 -7.7517 -7.7517 -7.6972 -7.6972 -7.6947 -7.6947 -7.6738 -7.6738 -7.6736 -7.6736 -3.8065 -3.8065 -3.8047 -3.8047 2.8718 2.8718 2.8996 2.8996 5.4485 5.4485 5.5388 5.5388 6.0030 6.0030 6.0248 6.0248 8.0445 8.0445 8.1214 8.1214 10.0097 10.0097 10.0412 10.0412 k = 0.0854 0.0493 0.3063 ( 3828 PWs) bands (ev): -8.5665 -8.5665 -8.5600 -8.5600 -8.5499 -8.5499 -8.5484 -8.5484 -7.7652 -7.7652 -7.7509 -7.7509 -7.6972 -7.6972 -7.6944 -7.6944 -7.6739 -7.6739 -7.6736 -7.6736 -3.7907 -3.7907 -3.7887 -3.7887 2.8545 2.8545 2.8869 2.8869 5.3555 5.3555 5.4546 5.4546 5.9498 5.9498 5.9744 5.9744 8.1411 8.1411 8.2259 8.2259 9.9843 9.9843 10.0204 10.0204 k = 0.0976 0.0563 0.3063 ( 3830 PWs) bands (ev): -8.5675 -8.5675 -8.5604 -8.5604 -8.5494 -8.5494 -8.5475 -8.5475 -7.7663 -7.7663 -7.7502 -7.7502 -7.6971 -7.6971 -7.6941 -7.6941 -7.6740 -7.6740 -7.6735 -7.6735 -3.7725 -3.7725 -3.7703 -3.7703 2.8336 2.8336 2.8706 2.8706 5.2581 5.2581 5.3638 5.3638 5.8984 5.8984 5.9244 5.9244 8.2330 8.2330 8.3247 8.3247 9.9636 9.9636 10.0034 10.0034 k = 0.1098 0.0634 0.3063 ( 3844 PWs) bands (ev): -8.5685 -8.5685 -8.5608 -8.5608 -8.5488 -8.5488 -8.5467 -8.5467 -7.7674 -7.7674 -7.7496 -7.7496 -7.6971 -7.6971 -7.6939 -7.6939 -7.6741 -7.6741 -7.6734 -7.6734 -3.7519 -3.7519 -3.7495 -3.7495 2.8086 2.8086 2.8500 2.8500 5.1594 5.1594 5.2700 5.2700 5.8481 5.8481 5.8744 5.8744 8.3158 8.3158 8.4130 8.4130 9.9520 9.9520 9.9943 9.9943 k = 0.1220 0.0704 0.3063 ( 3844 PWs) bands (ev): -8.5695 -8.5695 -8.5612 -8.5612 -8.5483 -8.5483 -8.5458 -8.5458 -7.7684 -7.7684 -7.7490 -7.7490 -7.6970 -7.6970 -7.6936 -7.6936 -7.6742 -7.6742 -7.6733 -7.6733 -3.7291 -3.7291 -3.7265 -3.7265 2.7788 2.7788 2.8244 2.8244 5.0619 5.0619 5.1763 5.1763 5.7981 5.7981 5.8243 5.8243 8.3856 8.3856 8.4866 8.4866 9.9534 9.9534 9.9963 9.9963 k = 0.1341 0.0774 0.3063 ( 3844 PWs) bands (ev): -8.5705 -8.5705 -8.5616 -8.5616 -8.5477 -8.5477 -8.5450 -8.5450 -7.7694 -7.7694 -7.7485 -7.7485 -7.6968 -7.6968 -7.6934 -7.6934 -7.6743 -7.6743 -7.6731 -7.6731 -3.7039 -3.7039 -3.7012 -3.7012 2.7438 2.7438 2.7931 2.7931 4.9679 4.9679 5.0851 5.0851 5.7482 5.7482 5.7739 5.7739 8.4393 8.4393 8.5418 8.5418 9.9700 9.9700 10.0111 10.0111 k = 0.1463 0.0845 0.3063 ( 3844 PWs) bands (ev): -8.5715 -8.5715 -8.5620 -8.5620 -8.5472 -8.5472 -8.5443 -8.5443 -7.7703 -7.7703 -7.7481 -7.7481 -7.6967 -7.6967 -7.6932 -7.6932 -7.6744 -7.6744 -7.6729 -7.6729 -3.6766 -3.6766 -3.6737 -3.6737 2.7029 2.7029 2.7556 2.7556 4.8792 4.8792 4.9985 4.9985 5.6982 5.6982 5.7233 5.7233 8.4753 8.4753 8.5768 8.5768 10.0018 10.0018 10.0384 10.0384 k = 0.1585 0.0915 0.3063 ( 3844 PWs) bands (ev): -8.5724 -8.5724 -8.5624 -8.5624 -8.5466 -8.5466 -8.5435 -8.5435 -7.7712 -7.7712 -7.7478 -7.7478 -7.6965 -7.6965 -7.6930 -7.6930 -7.6744 -7.6744 -7.6727 -7.6727 -3.6470 -3.6470 -3.6441 -3.6441 2.6558 2.6558 2.7112 2.7112 4.7972 4.7972 4.9178 4.9178 5.6480 5.6480 5.6724 5.6724 8.4937 8.4937 8.5922 8.5922 10.0459 10.0459 10.0754 10.0754 k = 0.1707 0.0986 0.3063 ( 3848 PWs) bands (ev): -8.5732 -8.5732 -8.5629 -8.5629 -8.5461 -8.5461 -8.5428 -8.5428 -7.7720 -7.7720 -7.7475 -7.7475 -7.6963 -7.6963 -7.6929 -7.6929 -7.6745 -7.6745 -7.6724 -7.6724 -3.6153 -3.6153 -3.6124 -3.6124 2.6021 2.6021 2.6595 2.6595 4.7232 4.7232 4.8443 4.8443 5.5977 5.5977 5.6216 5.6216 8.4959 8.4959 8.5899 8.5899 10.0963 10.0963 10.1169 10.1169 k = 0.1829 0.1056 0.3063 ( 3848 PWs) bands (ev): -8.5740 -8.5740 -8.5633 -8.5633 -8.5455 -8.5455 -8.5422 -8.5422 -7.7728 -7.7728 -7.7473 -7.7473 -7.6961 -7.6961 -7.6928 -7.6928 -7.6746 -7.6746 -7.6720 -7.6720 -3.5816 -3.5816 -3.5786 -3.5786 2.5416 2.5416 2.6004 2.6004 4.6579 4.6579 4.7787 4.7787 5.5476 5.5476 5.5708 5.5708 8.4846 8.4846 8.5731 8.5731 10.1451 10.1451 10.1561 10.1561 k = 0.1951 0.1127 0.3063 ( 3848 PWs) bands (ev): -8.5748 -8.5748 -8.5637 -8.5637 -8.5450 -8.5450 -8.5416 -8.5416 -7.7735 -7.7735 -7.7472 -7.7472 -7.6958 -7.6958 -7.6927 -7.6927 -7.6746 -7.6746 -7.6717 -7.6717 -3.5459 -3.5459 -3.5429 -3.5429 2.4745 2.4745 2.5337 2.5337 4.6017 4.6017 4.7215 4.7215 5.4976 5.4976 5.5204 5.5204 8.4623 8.4623 8.5453 8.5453 10.1840 10.1840 10.1858 10.1858 k = 0.2073 0.1197 0.3063 ( 3848 PWs) bands (ev): -8.5755 -8.5755 -8.5642 -8.5642 -8.5445 -8.5445 -8.5411 -8.5411 -7.7741 -7.7741 -7.7472 -7.7472 -7.6956 -7.6956 -7.6926 -7.6926 -7.6746 -7.6746 -7.6713 -7.6713 -3.5083 -3.5083 -3.5054 -3.5054 2.4010 2.4010 2.4599 2.4599 4.5547 4.5547 4.6727 4.6727 5.4482 5.4482 5.4706 5.4706 8.4318 8.4318 8.5094 8.5094 10.2002 10.2002 10.2061 10.2061 k = 0.2195 0.1267 0.3063 ( 3850 PWs) bands (ev): -8.5762 -8.5762 -8.5646 -8.5646 -8.5440 -8.5440 -8.5406 -8.5406 -7.7746 -7.7746 -7.7473 -7.7473 -7.6954 -7.6954 -7.6926 -7.6926 -7.6746 -7.6746 -7.6708 -7.6708 -3.4690 -3.4690 -3.4662 -3.4662 2.3216 2.3216 2.3795 2.3795 4.5166 4.5166 4.6323 4.6323 5.3995 5.3995 5.4216 5.4216 8.3953 8.3953 8.4678 8.4678 10.1964 10.1964 10.2077 10.2077 k = 0.2317 0.1338 0.3063 ( 3850 PWs) bands (ev): -8.5768 -8.5768 -8.5651 -8.5651 -8.5435 -8.5435 -8.5401 -8.5401 -7.7751 -7.7751 -7.7475 -7.7475 -7.6951 -7.6951 -7.6927 -7.6927 -7.6745 -7.6745 -7.6704 -7.6704 -3.4280 -3.4280 -3.4252 -3.4252 2.2369 2.2369 2.2931 2.2931 4.4870 4.4870 4.5998 4.5998 5.3516 5.3516 5.3736 5.3736 8.3547 8.3547 8.4226 8.4226 10.1745 10.1745 10.1889 10.1889 k = 0.2439 0.1408 0.3063 ( 3850 PWs) bands (ev): -8.5774 -8.5774 -8.5655 -8.5655 -8.5430 -8.5430 -8.5397 -8.5397 -7.7755 -7.7755 -7.7477 -7.7477 -7.6949 -7.6949 -7.6927 -7.6927 -7.6744 -7.6744 -7.6699 -7.6699 -3.3854 -3.3854 -3.3828 -3.3828 2.1476 2.1476 2.2018 2.2018 4.4653 4.4653 4.5746 4.5746 5.3049 5.3049 5.3267 5.3267 8.3114 8.3114 8.3752 8.3752 10.1370 10.1370 10.1527 10.1527 k = 0.2561 0.1479 0.3063 ( 3846 PWs) bands (ev): -8.5779 -8.5779 -8.5660 -8.5660 -8.5426 -8.5426 -8.5394 -8.5394 -7.7758 -7.7758 -7.7481 -7.7481 -7.6947 -7.6947 -7.6928 -7.6928 -7.6742 -7.6742 -7.6694 -7.6694 -3.3415 -3.3415 -3.3391 -3.3391 2.0547 2.0547 2.1065 2.1065 4.4505 4.4505 4.5562 4.5562 5.2596 5.2596 5.2813 5.2813 8.2667 8.2667 8.3266 8.3266 10.0873 10.0873 10.1031 10.1031 k = 0.2683 0.1549 0.3063 ( 3844 PWs) bands (ev): -8.5784 -8.5784 -8.5664 -8.5664 -8.5422 -8.5422 -8.5391 -8.5391 -7.7760 -7.7760 -7.7485 -7.7485 -7.6945 -7.6945 -7.6929 -7.6929 -7.6740 -7.6740 -7.6690 -7.6690 -3.2963 -3.2963 -3.2941 -3.2941 1.9589 1.9589 2.0081 2.0081 4.4418 4.4418 4.5437 4.5437 5.2157 5.2157 5.2375 5.2375 8.2213 8.2213 8.2778 8.2778 10.0286 10.0286 10.0437 10.0437 k = 0.2805 0.1619 0.3063 ( 3844 PWs) bands (ev): -8.5788 -8.5788 -8.5669 -8.5669 -8.5418 -8.5418 -8.5388 -8.5388 -7.7761 -7.7761 -7.7490 -7.7490 -7.6943 -7.6943 -7.6929 -7.6929 -7.6737 -7.6737 -7.6685 -7.6685 -3.2501 -3.2501 -3.2481 -3.2481 1.8613 1.8613 1.9077 1.9077 4.4385 4.4385 4.5365 4.5365 5.1736 5.1736 5.1954 5.1954 8.1761 8.1761 8.2294 8.2294 9.9639 9.9639 9.9779 9.9779 k = 0.2927 0.1690 0.3063 ( 3840 PWs) bands (ev): -8.5791 -8.5791 -8.5674 -8.5674 -8.5414 -8.5414 -8.5386 -8.5386 -7.7762 -7.7762 -7.7496 -7.7496 -7.6942 -7.6942 -7.6930 -7.6930 -7.6734 -7.6734 -7.6680 -7.6680 -3.2031 -3.2031 -3.2012 -3.2012 1.7626 1.7626 1.8061 1.8061 4.4397 4.4397 4.5337 4.5337 5.1334 5.1334 5.1553 5.1553 8.1315 8.1315 8.1818 8.1818 9.8953 9.8953 9.9080 9.9080 k = 0.3049 0.1760 0.3063 ( 3844 PWs) bands (ev): -8.5794 -8.5794 -8.5679 -8.5679 -8.5410 -8.5410 -8.5384 -8.5384 -7.7761 -7.7761 -7.7502 -7.7502 -7.6940 -7.6940 -7.6932 -7.6932 -7.6731 -7.6731 -7.6676 -7.6676 -3.1554 -3.1554 -3.1538 -3.1538 1.6637 1.6637 1.7044 1.7044 4.4446 4.4446 4.5345 4.5345 5.0953 5.0953 5.1173 5.1173 8.0880 8.0880 8.1355 8.1355 9.8247 9.8247 9.8361 9.8361 k = 0.3171 0.1831 0.3063 ( 3848 PWs) bands (ev): -8.5796 -8.5796 -8.5684 -8.5684 -8.5407 -8.5407 -8.5382 -8.5382 -7.7760 -7.7760 -7.7509 -7.7509 -7.6939 -7.6939 -7.6933 -7.6933 -7.6727 -7.6727 -7.6671 -7.6671 -3.1074 -3.1074 -3.1061 -3.1061 1.5655 1.5655 1.6033 1.6033 4.4525 4.4525 4.5383 4.5383 5.0594 5.0594 5.0816 5.0816 8.0460 8.0460 8.0908 8.0908 9.7536 9.7536 9.7637 9.7637 k = 0.3293 0.1901 0.3063 ( 3844 PWs) bands (ev): -8.5798 -8.5798 -8.5690 -8.5690 -8.5404 -8.5404 -8.5381 -8.5381 -7.7758 -7.7758 -7.7517 -7.7517 -7.6939 -7.6939 -7.6934 -7.6934 -7.6723 -7.6723 -7.6667 -7.6667 -3.0594 -3.0594 -3.0583 -3.0583 1.4686 1.4686 1.5037 1.5037 4.4626 4.4626 4.5443 4.5443 5.0261 5.0261 5.0483 5.0483 8.0057 8.0057 8.0479 8.0479 9.6831 9.6831 9.6919 9.6919 k = 0.3415 0.1971 0.3063 ( 3840 PWs) bands (ev): -8.5799 -8.5799 -8.5695 -8.5695 -8.5401 -8.5401 -8.5380 -8.5380 -7.7755 -7.7755 -7.7525 -7.7525 -7.6938 -7.6938 -7.6935 -7.6935 -7.6718 -7.6718 -7.6664 -7.6664 -3.0116 -3.0116 -3.0107 -3.0107 1.3740 1.3740 1.4064 1.4064 4.4743 4.4743 4.5519 4.5519 4.9955 4.9955 5.0176 5.0176 7.9674 7.9674 8.0071 8.0071 9.6142 9.6142 9.6218 9.6218 k = 0.3537 0.2042 0.3063 ( 3836 PWs) bands (ev): -8.5799 -8.5799 -8.5700 -8.5700 -8.5398 -8.5398 -8.5379 -8.5379 -7.7751 -7.7751 -7.7534 -7.7534 -7.6938 -7.6938 -7.6936 -7.6936 -7.6713 -7.6713 -7.6660 -7.6660 -2.9645 -2.9645 -2.9638 -2.9638 1.2823 1.2823 1.3120 1.3120 4.4870 4.4870 4.5602 4.5602 4.9677 4.9677 4.9897 4.9897 7.9313 7.9313 7.9684 7.9684 9.5477 9.5477 9.5542 9.5542 k = 0.3659 0.2112 0.3063 ( 3846 PWs) bands (ev): -8.5799 -8.5799 -8.5706 -8.5706 -8.5396 -8.5396 -8.5378 -8.5378 -7.7747 -7.7747 -7.7543 -7.7543 -7.6937 -7.6937 -7.6937 -7.6937 -7.6708 -7.6708 -7.6657 -7.6657 -2.9183 -2.9183 -2.9179 -2.9179 1.1943 1.1943 1.2214 1.2214 4.5001 4.5001 4.5688 4.5688 4.9431 4.9431 4.9647 4.9647 7.8975 7.8975 7.9320 7.9320 9.4842 9.4842 9.4897 9.4897 k = 0.3780 0.2183 0.3063 ( 3848 PWs) bands (ev): -8.5799 -8.5799 -8.5712 -8.5712 -8.5393 -8.5393 -8.5378 -8.5378 -7.7742 -7.7742 -7.7553 -7.7553 -7.6937 -7.6937 -7.6937 -7.6937 -7.6703 -7.6703 -7.6655 -7.6655 -2.8737 -2.8737 -2.8734 -2.8734 1.1106 1.1106 1.1352 1.1352 4.5131 4.5131 4.5769 4.5769 4.9218 4.9218 4.9426 4.9426 7.8663 7.8663 7.8981 7.8981 9.4244 9.4244 9.4289 9.4289 k = 0.3902 0.2253 0.3063 ( 3848 PWs) bands (ev): -8.5798 -8.5798 -8.5717 -8.5717 -8.5391 -8.5391 -8.5377 -8.5377 -7.7736 -7.7736 -7.7563 -7.7563 -7.6938 -7.6938 -7.6937 -7.6937 -7.6698 -7.6698 -7.6653 -7.6653 -2.8310 -2.8310 -2.8309 -2.8309 1.0321 1.0321 1.0542 1.0542 4.5255 4.5255 4.5840 4.5840 4.9039 4.9039 4.9236 4.9236 7.8377 7.8377 7.8668 7.8668 9.3687 9.3687 9.3725 9.3725 k = 0.4024 0.2323 0.3063 ( 3840 PWs) bands (ev): -8.5796 -8.5796 -8.5723 -8.5723 -8.5389 -8.5389 -8.5377 -8.5377 -7.7729 -7.7729 -7.7573 -7.7573 -7.6939 -7.6939 -7.6937 -7.6937 -7.6693 -7.6693 -7.6651 -7.6651 -2.7908 -2.7908 -2.7907 -2.7907 0.9594 0.9594 0.9790 0.9790 4.5369 4.5369 4.5897 4.5897 4.8894 4.8894 4.9076 4.9076 7.8120 7.8120 7.8382 7.8382 9.3177 9.3177 9.3208 9.3208 k = 0.4146 0.2394 0.3063 ( 3836 PWs) bands (ev): -8.5794 -8.5794 -8.5729 -8.5729 -8.5388 -8.5388 -8.5377 -8.5377 -7.7722 -7.7722 -7.7583 -7.7583 -7.6939 -7.6939 -7.6938 -7.6938 -7.6687 -7.6687 -7.6650 -7.6650 -2.7536 -2.7536 -2.7534 -2.7534 0.8933 0.8933 0.9104 0.9104 4.5471 4.5471 4.5938 4.5938 4.8783 4.8783 4.8946 4.8946 7.7891 7.7891 7.8124 7.8124 9.2718 9.2718 9.2742 9.2742 k = 0.4268 0.2464 0.3063 ( 3832 PWs) bands (ev): -8.5791 -8.5791 -8.5735 -8.5735 -8.5386 -8.5386 -8.5377 -8.5377 -7.7714 -7.7714 -7.7594 -7.7594 -7.6940 -7.6940 -7.6938 -7.6938 -7.6682 -7.6682 -7.6650 -7.6650 -2.7199 -2.7199 -2.7196 -2.7196 0.8343 0.8343 0.8491 0.8491 4.5559 4.5559 4.5961 4.5961 4.8704 4.8704 4.8844 4.8844 7.7693 7.7693 7.7896 7.7896 9.2312 9.2312 9.2331 9.2331 k = 0.4390 0.2535 0.3063 ( 3836 PWs) bands (ev): -8.5788 -8.5788 -8.5740 -8.5740 -8.5385 -8.5385 -8.5377 -8.5377 -7.7706 -7.7706 -7.7605 -7.7605 -7.6940 -7.6940 -7.6938 -7.6938 -7.6677 -7.6677 -7.6650 -7.6650 -2.6901 -2.6901 -2.6899 -2.6899 0.7833 0.7833 0.7956 0.7956 4.5634 4.5634 4.5969 4.5969 4.8651 4.8651 4.8767 4.8767 7.7526 7.7526 7.7697 7.7697 9.1964 9.1964 9.1978 9.1978 k = 0.4512 0.2605 0.3063 ( 3840 PWs) bands (ev): -8.5785 -8.5785 -8.5746 -8.5746 -8.5383 -8.5383 -8.5378 -8.5378 -7.7697 -7.7697 -7.7616 -7.7616 -7.6940 -7.6940 -7.6939 -7.6939 -7.6673 -7.6673 -7.6650 -7.6650 -2.6650 -2.6650 -2.6647 -2.6647 0.7408 0.7408 0.7507 0.7507 4.5695 4.5695 4.5962 4.5962 4.8620 4.8620 4.8711 4.8711 7.7392 7.7392 7.7530 7.7530 9.1676 9.1676 9.1686 9.1686 k = 0.4634 0.2676 0.3063 ( 3840 PWs) bands (ev): -8.5781 -8.5781 -8.5752 -8.5752 -8.5382 -8.5382 -8.5378 -8.5378 -7.7688 -7.7688 -7.7627 -7.7627 -7.6940 -7.6940 -7.6939 -7.6939 -7.6669 -7.6669 -7.6652 -7.6652 -2.6448 -2.6448 -2.6446 -2.6446 0.7074 0.7074 0.7148 0.7148 4.5747 4.5747 4.5946 4.5946 4.8604 4.8604 4.8671 4.8671 7.7290 7.7290 7.7395 7.7395 9.1449 9.1449 9.1456 9.1456 k = 0.4756 0.2746 0.3063 ( 3848 PWs) bands (ev): -8.5777 -8.5777 -8.5757 -8.5757 -8.5381 -8.5381 -8.5379 -8.5379 -7.7678 -7.7678 -7.7637 -7.7637 -7.6940 -7.6940 -7.6939 -7.6939 -7.6665 -7.6665 -7.6653 -7.6653 -2.6301 -2.6301 -2.6299 -2.6299 0.6835 0.6835 0.6885 0.6885 4.5791 4.5791 4.5922 4.5922 4.8600 4.8600 4.8644 4.8644 7.7223 7.7223 7.7293 7.7293 9.1286 9.1286 9.1291 9.1291 k = 0.4878 0.2816 0.3063 ( 3848 PWs) bands (ev): -8.5772 -8.5772 -8.5762 -8.5762 -8.5380 -8.5380 -8.5379 -8.5379 -7.7669 -7.7669 -7.7648 -7.7648 -7.6940 -7.6940 -7.6940 -7.6940 -7.6661 -7.6661 -7.6655 -7.6655 -2.6211 -2.6211 -2.6210 -2.6210 0.6695 0.6695 0.6720 0.6720 4.5829 4.5829 4.5894 4.5894 4.8603 4.8603 4.8625 4.8625 7.7189 7.7189 7.7224 7.7224 9.1189 9.1189 9.1191 9.1191 k = 0.5000 0.2887 0.3063 ( 3840 PWs) bands (ev): -8.5767 -8.5767 -8.5767 -8.5767 -8.5380 -8.5380 -8.5380 -8.5380 -7.7658 -7.7658 -7.7658 -7.7658 -7.6940 -7.6940 -7.6940 -7.6940 -7.6658 -7.6658 -7.6658 -7.6658 -2.6181 -2.6181 -2.6181 -2.6181 0.6657 0.6657 0.6657 0.6657 4.5863 4.5863 4.5863 4.5863 4.8612 4.8612 4.8612 4.8612 7.7189 7.7189 7.7189 7.7189 9.1157 9.1157 9.1157 9.1157 k = 0.5000 0.2887 0.3063 ( 3840 PWs) bands (ev): -8.5767 -8.5767 -8.5767 -8.5767 -8.5380 -8.5380 -8.5380 -8.5380 -7.7658 -7.7658 -7.7658 -7.7658 -7.6940 -7.6940 -7.6940 -7.6940 -7.6658 -7.6658 -7.6658 -7.6658 -2.6181 -2.6181 -2.6181 -2.6181 0.6657 0.6657 0.6657 0.6657 4.5863 4.5863 4.5863 4.5863 4.8612 4.8612 4.8612 4.8612 7.7189 7.7189 7.7189 7.7189 9.1157 9.1157 9.1157 9.1157 k = 0.4931 0.3007 0.3063 ( 3848 PWs) bands (ev): -8.5780 -8.5780 -8.5755 -8.5755 -8.5386 -8.5386 -8.5374 -8.5374 -7.7677 -7.7677 -7.7640 -7.7640 -7.6943 -7.6943 -7.6937 -7.6937 -7.6663 -7.6663 -7.6653 -7.6653 -2.6175 -2.6175 -2.6171 -2.6171 0.6630 0.6630 0.6686 0.6686 4.5550 4.5550 4.6017 4.6017 4.8364 4.8364 4.8880 4.8880 7.7179 7.7179 7.7351 7.7351 9.1171 9.1171 9.1234 9.1234 k = 0.4861 0.3127 0.3063 ( 3836 PWs) bands (ev): -8.5792 -8.5792 -8.5744 -8.5744 -8.5391 -8.5391 -8.5367 -8.5367 -7.7695 -7.7695 -7.7623 -7.7623 -7.6945 -7.6945 -7.6934 -7.6934 -7.6669 -7.6669 -7.6649 -7.6649 -2.6154 -2.6154 -2.6147 -2.6147 0.6605 0.6605 0.6717 0.6717 4.5117 4.5117 4.5957 4.5957 4.8199 4.8199 4.9131 4.9131 7.7317 7.7317 7.7656 7.7656 9.1277 9.1277 9.1402 9.1402 k = 0.4792 0.3248 0.3063 ( 3838 PWs) bands (ev): -8.5804 -8.5804 -8.5732 -8.5732 -8.5397 -8.5397 -8.5360 -8.5360 -7.7713 -7.7713 -7.7605 -7.7605 -7.6947 -7.6947 -7.6930 -7.6930 -7.6674 -7.6674 -7.6644 -7.6644 -2.6118 -2.6118 -2.6108 -2.6108 0.6581 0.6581 0.6749 0.6749 4.4587 4.4587 4.5653 4.5653 4.8158 4.8158 4.9350 4.9350 7.7591 7.7591 7.8087 7.8087 9.1481 9.1481 9.1667 9.1667 k = 0.4722 0.3368 0.3063 ( 3846 PWs) bands (ev): -8.5816 -8.5816 -8.5721 -8.5721 -8.5402 -8.5402 -8.5354 -8.5354 -7.7731 -7.7731 -7.7589 -7.7589 -7.6949 -7.6949 -7.6926 -7.6926 -7.6680 -7.6680 -7.6640 -7.6640 -2.6068 -2.6068 -2.6055 -2.6055 0.6558 0.6558 0.6783 0.6783 4.3972 4.3972 4.5146 4.5146 4.8216 4.8216 4.9538 4.9538 7.7979 7.7979 7.8618 7.8618 9.1792 9.1792 9.2036 9.2036 k = 0.4653 0.3488 0.3063 ( 3846 PWs) bands (ev): -8.5828 -8.5828 -8.5711 -8.5711 -8.5406 -8.5406 -8.5346 -8.5346 -7.7748 -7.7748 -7.7573 -7.7573 -7.6950 -7.6950 -7.6922 -7.6922 -7.6686 -7.6686 -7.6636 -7.6636 -2.6005 -2.6005 -2.5987 -2.5987 0.6536 0.6536 0.6818 0.6818 4.3286 4.3286 4.4502 4.4502 4.8327 4.8327 4.9699 4.9699 7.8455 7.8455 7.9219 7.9219 9.2221 9.2221 9.2516 9.2516 k = 0.4583 0.3608 0.3063 ( 3838 PWs) bands (ev): -8.5839 -8.5839 -8.5701 -8.5701 -8.5411 -8.5411 -8.5339 -8.5339 -7.7766 -7.7766 -7.7557 -7.7557 -7.6951 -7.6951 -7.6918 -7.6918 -7.6693 -7.6693 -7.6633 -7.6633 -2.5927 -2.5927 -2.5906 -2.5906 0.6513 0.6513 0.6852 0.6852 4.2540 4.2540 4.3769 4.3769 4.8461 4.8461 4.9840 4.9840 7.8987 7.8987 7.9856 7.9856 9.2780 9.2780 9.3120 9.3120 k = 0.4514 0.3729 0.3063 ( 3836 PWs) bands (ev): -8.5850 -8.5850 -8.5691 -8.5691 -8.5415 -8.5415 -8.5332 -8.5332 -7.7782 -7.7782 -7.7543 -7.7543 -7.6952 -7.6952 -7.6914 -7.6914 -7.6699 -7.6699 -7.6629 -7.6629 -2.5838 -2.5838 -2.5813 -2.5813 0.6489 0.6489 0.6885 0.6885 4.1749 4.1749 4.2981 4.2981 4.8605 4.8605 4.9969 4.9969 7.9544 7.9544 8.0496 8.0496 9.3481 9.3481 9.3855 9.3855 k = 0.4444 0.3849 0.3063 ( 3832 PWs) bands (ev): -8.5861 -8.5861 -8.5683 -8.5683 -8.5418 -8.5418 -8.5325 -8.5325 -7.7798 -7.7798 -7.7529 -7.7529 -7.6952 -7.6952 -7.6909 -7.6909 -7.6706 -7.6706 -7.6626 -7.6626 -2.5736 -2.5736 -2.5707 -2.5707 0.6463 0.6463 0.6917 0.6917 4.0926 4.0926 4.2161 4.2161 4.8751 4.8751 5.0091 5.0091 8.0099 8.0099 8.1111 8.1111 9.4332 9.4332 9.4730 9.4730 k = 0.4375 0.3969 0.3063 ( 3828 PWs) bands (ev): -8.5871 -8.5871 -8.5675 -8.5675 -8.5422 -8.5422 -8.5317 -8.5317 -7.7814 -7.7814 -7.7517 -7.7517 -7.6952 -7.6952 -7.6904 -7.6904 -7.6713 -7.6713 -7.6624 -7.6624 -2.5624 -2.5624 -2.5591 -2.5591 0.6434 0.6434 0.6945 0.6945 4.0087 4.0087 4.1327 4.1327 4.8898 4.8898 5.0208 5.0208 8.0627 8.0627 8.1678 8.1678 9.5337 9.5337 9.5747 9.5747 k = 0.4306 0.4090 0.3063 ( 3836 PWs) bands (ev): -8.5881 -8.5881 -8.5667 -8.5667 -8.5425 -8.5425 -8.5310 -8.5310 -7.7828 -7.7828 -7.7505 -7.7505 -7.6952 -7.6952 -7.6899 -7.6899 -7.6720 -7.6720 -7.6621 -7.6621 -2.5503 -2.5503 -2.5465 -2.5465 0.6400 0.6400 0.6969 0.6969 3.9245 3.9245 4.0495 4.0495 4.9043 4.9043 5.0325 5.0325 8.1113 8.1113 8.2182 8.2182 9.6490 9.6490 9.6905 9.6905 k = 0.4236 0.4210 0.3063 ( 3832 PWs) bands (ev): -8.5890 -8.5890 -8.5661 -8.5661 -8.5427 -8.5427 -8.5303 -8.5303 -7.7842 -7.7842 -7.7495 -7.7495 -7.6951 -7.6951 -7.6894 -7.6894 -7.6727 -7.6727 -7.6619 -7.6619 -2.5373 -2.5373 -2.5332 -2.5332 0.6361 0.6361 0.6987 0.6987 3.8413 3.8413 3.9678 3.9678 4.9188 4.9188 5.0442 5.0442 8.1547 8.1547 8.2618 8.2618 9.7779 9.7779 9.8195 9.8195 k = 0.4167 0.4330 0.3063 ( 3824 PWs) bands (ev): -8.5899 -8.5899 -8.5655 -8.5655 -8.5430 -8.5430 -8.5296 -8.5296 -7.7855 -7.7855 -7.7486 -7.7486 -7.6951 -7.6951 -7.6888 -7.6888 -7.6734 -7.6734 -7.6616 -7.6616 -2.5238 -2.5238 -2.5191 -2.5191 0.6316 0.6316 0.6998 0.6998 3.7603 3.7603 3.8887 3.8887 4.9330 4.9330 5.0559 5.0559 8.1922 8.1922 8.2986 8.2986 9.9183 9.9183 9.9603 9.9603 k = 0.4097 0.4450 0.3063 ( 3812 PWs) bands (ev): -8.5907 -8.5907 -8.5650 -8.5650 -8.5432 -8.5432 -8.5289 -8.5289 -7.7866 -7.7866 -7.7478 -7.7478 -7.6950 -7.6950 -7.6882 -7.6882 -7.6741 -7.6741 -7.6614 -7.6614 -2.5098 -2.5098 -2.5047 -2.5047 0.6265 0.6265 0.7001 0.7001 3.6825 3.6825 3.8132 3.8132 4.9469 4.9469 5.0677 5.0677 8.2240 8.2240 8.3289 8.3289 10.0677 10.0677 10.1104 10.1104 k = 0.4028 0.4571 0.3063 ( 3816 PWs) bands (ev): -8.5914 -8.5914 -8.5646 -8.5646 -8.5434 -8.5434 -8.5283 -8.5283 -7.7877 -7.7877 -7.7470 -7.7470 -7.6949 -7.6949 -7.6877 -7.6877 -7.6748 -7.6748 -7.6613 -7.6613 -2.4955 -2.4955 -2.4899 -2.4899 0.6206 0.6206 0.6995 0.6995 3.6089 3.6089 3.7421 3.7421 4.9605 4.9605 5.0795 5.0795 8.2502 8.2502 8.3534 8.3534 10.2227 10.2227 10.2663 10.2663 k = 0.3958 0.4691 0.3063 ( 3812 PWs) bands (ev): -8.5921 -8.5921 -8.5642 -8.5642 -8.5435 -8.5435 -8.5277 -8.5277 -7.7887 -7.7887 -7.7464 -7.7464 -7.6947 -7.6947 -7.6871 -7.6871 -7.6755 -7.6755 -7.6611 -7.6611 -2.4812 -2.4812 -2.4752 -2.4752 0.6141 0.6141 0.6980 0.6980 3.5404 3.5404 3.6762 3.6762 4.9736 4.9736 5.0911 5.0911 8.2713 8.2713 8.3726 8.3726 10.3784 10.3784 10.4218 10.4218 k = 0.3889 0.4811 0.3063 ( 3816 PWs) bands (ev): -8.5927 -8.5927 -8.5639 -8.5639 -8.5436 -8.5436 -8.5272 -8.5272 -7.7895 -7.7895 -7.7459 -7.7459 -7.6946 -7.6946 -7.6865 -7.6865 -7.6762 -7.6762 -7.6609 -7.6609 -2.4672 -2.4672 -2.4606 -2.4606 0.6070 0.6070 0.6956 0.6956 3.4777 3.4777 3.6160 3.6160 4.9860 4.9860 5.1023 5.1023 8.2877 8.2877 8.3873 8.3873 10.5252 10.5252 10.5656 10.5656 k = 0.3819 0.4932 0.3063 ( 3820 PWs) bands (ev): -8.5932 -8.5932 -8.5636 -8.5636 -8.5437 -8.5437 -8.5267 -8.5267 -7.7903 -7.7903 -7.7455 -7.7455 -7.6945 -7.6945 -7.6859 -7.6859 -7.6769 -7.6769 -7.6608 -7.6608 -2.4536 -2.4536 -2.4466 -2.4466 0.5994 0.5994 0.6923 0.6923 3.4215 3.4215 3.5622 3.5622 4.9977 4.9977 5.1131 5.1131 8.3000 8.3000 8.3980 8.3980 10.6370 10.6370 10.6851 10.6851 k = 0.3750 0.5052 0.3063 ( 3820 PWs) bands (ev): -8.5937 -8.5937 -8.5634 -8.5634 -8.5438 -8.5438 -8.5263 -8.5263 -7.7909 -7.7909 -7.7452 -7.7452 -7.6944 -7.6944 -7.6853 -7.6853 -7.6775 -7.6775 -7.6607 -7.6607 -2.4408 -2.4408 -2.4333 -2.4333 0.5915 0.5915 0.6883 0.6883 3.3721 3.3721 3.5151 3.5151 5.0084 5.0084 5.1232 5.1232 8.3086 8.3086 8.4054 8.4054 10.6840 10.6840 10.7701 10.7701 k = 0.3681 0.5172 0.3063 ( 3824 PWs) bands (ev): -8.5941 -8.5941 -8.5633 -8.5633 -8.5439 -8.5439 -8.5259 -8.5259 -7.7915 -7.7915 -7.7449 -7.7449 -7.6943 -7.6943 -7.6847 -7.6847 -7.6781 -7.6781 -7.6606 -7.6606 -2.4291 -2.4291 -2.4212 -2.4212 0.5836 0.5836 0.6838 0.6838 3.3301 3.3301 3.4751 3.4751 5.0180 5.0180 5.1323 5.1323 8.3143 8.3143 8.4101 8.4101 10.6880 10.6880 10.8061 10.8061 k = 0.3611 0.5292 0.3063 ( 3828 PWs) bands (ev): -8.5944 -8.5944 -8.5631 -8.5631 -8.5439 -8.5439 -8.5256 -8.5256 -7.7919 -7.7919 -7.7447 -7.7447 -7.6942 -7.6942 -7.6841 -7.6841 -7.6787 -7.6787 -7.6605 -7.6605 -2.4187 -2.4187 -2.4105 -2.4105 0.5761 0.5761 0.6790 0.6790 3.2956 3.2956 3.4423 3.4423 5.0263 5.0263 5.1403 5.1403 8.3174 8.3174 8.4125 8.4125 10.6766 10.6766 10.8098 10.8098 k = 0.3542 0.5413 0.3063 ( 3828 PWs) bands (ev): -8.5946 -8.5946 -8.5630 -8.5630 -8.5439 -8.5439 -8.5254 -8.5254 -7.7922 -7.7922 -7.7446 -7.7446 -7.6941 -7.6941 -7.6836 -7.6836 -7.6792 -7.6792 -7.6605 -7.6605 -2.4101 -2.4101 -2.4016 -2.4016 0.5693 0.5693 0.6744 0.6744 3.2689 3.2689 3.4169 3.4169 5.0330 5.0330 5.1469 5.1469 8.3188 8.3188 8.4134 8.4134 10.6625 10.6625 10.8022 10.8022 k = 0.3472 0.5533 0.3063 ( 3824 PWs) bands (ev): -8.5948 -8.5948 -8.5630 -8.5630 -8.5440 -8.5440 -8.5252 -8.5252 -7.7924 -7.7924 -7.7445 -7.7445 -7.6941 -7.6941 -7.6832 -7.6832 -7.6797 -7.6797 -7.6604 -7.6604 -2.4036 -2.4036 -2.3948 -2.3948 0.5639 0.5639 0.6705 0.6705 3.2500 3.2500 3.3988 3.3988 5.0381 5.0381 5.1519 5.1519 8.3189 8.3189 8.4132 8.4132 10.6508 10.6508 10.7934 10.7934 k = 0.3403 0.5653 0.3063 ( 3816 PWs) bands (ev): -8.5949 -8.5949 -8.5630 -8.5630 -8.5440 -8.5440 -8.5251 -8.5251 -7.7926 -7.7926 -7.7444 -7.7444 -7.6941 -7.6941 -7.6829 -7.6829 -7.6799 -7.6799 -7.6604 -7.6604 -2.3994 -2.3994 -2.3905 -2.3905 0.5602 0.5602 0.6677 0.6677 3.2387 3.2387 3.3881 3.3881 5.0412 5.0412 5.1550 5.1550 8.3185 8.3185 8.4127 8.4127 10.6434 10.6434 10.7873 10.7873 k = 0.3333 0.5774 0.3063 ( 3816 PWs) bands (ev): -8.5949 -8.5949 -8.5630 -8.5630 -8.5440 -8.5440 -8.5250 -8.5250 -7.7926 -7.7926 -7.7444 -7.7444 -7.6940 -7.6940 -7.6828 -7.6828 -7.6800 -7.6800 -7.6604 -7.6604 -2.3980 -2.3980 -2.3890 -2.3890 0.5588 0.5588 0.6666 0.6666 3.2350 3.2350 3.3846 3.3846 5.0423 5.0423 5.1561 5.1561 8.3182 8.3182 8.4124 8.4124 10.6409 10.6409 10.7851 10.7851 k = 0.3333 0.5774 0.3063 ( 3816 PWs) bands (ev): -8.5949 -8.5949 -8.5630 -8.5630 -8.5440 -8.5440 -8.5250 -8.5250 -7.7926 -7.7926 -7.7444 -7.7444 -7.6940 -7.6940 -7.6828 -7.6828 -7.6800 -7.6800 -7.6604 -7.6604 -2.3980 -2.3980 -2.3890 -2.3890 0.5588 0.5588 0.6666 0.6666 3.2350 3.2350 3.3846 3.3846 5.0423 5.0423 5.1561 5.1561 8.3182 8.3182 8.4124 8.4124 10.6409 10.6409 10.7851 10.7851 k = 0.3262 0.5651 0.3063 ( 3818 PWs) bands (ev): -8.5949 -8.5949 -8.5630 -8.5630 -8.5440 -8.5440 -8.5251 -8.5251 -7.7926 -7.7926 -7.7444 -7.7444 -7.6941 -7.6941 -7.6829 -7.6829 -7.6799 -7.6799 -7.6604 -7.6604 -2.3996 -2.3996 -2.3907 -2.3907 0.5604 0.5604 0.6679 0.6679 3.2388 3.2388 3.3882 3.3882 5.0411 5.0411 5.1549 5.1549 8.3187 8.3187 8.4129 8.4129 10.6434 10.6434 10.7873 10.7873 k = 0.3191 0.5528 0.3063 ( 3832 PWs) bands (ev): -8.5948 -8.5948 -8.5630 -8.5630 -8.5440 -8.5440 -8.5252 -8.5252 -7.7925 -7.7925 -7.7445 -7.7445 -7.6941 -7.6941 -7.6831 -7.6831 -7.6797 -7.6797 -7.6604 -7.6604 -2.4046 -2.4046 -2.3959 -2.3959 0.5656 0.5656 0.6723 0.6723 3.2499 3.2499 3.3988 3.3988 5.0375 5.0375 5.1512 5.1512 8.3207 8.3207 8.4149 8.4149 10.6507 10.6507 10.7935 10.7935 k = 0.3121 0.5405 0.3063 ( 3828 PWs) bands (ev): -8.5946 -8.5946 -8.5630 -8.5630 -8.5439 -8.5439 -8.5254 -8.5254 -7.7923 -7.7923 -7.7445 -7.7445 -7.6941 -7.6941 -7.6834 -7.6834 -7.6795 -7.6795 -7.6605 -7.6605 -2.4132 -2.4132 -2.4048 -2.4048 0.5751 0.5751 0.6803 0.6803 3.2680 3.2680 3.4162 3.4162 5.0313 5.0313 5.1449 5.1449 8.3247 8.3247 8.4189 8.4189 10.6620 10.6620 10.8028 10.8028 k = 0.3050 0.5282 0.3063 ( 3820 PWs) bands (ev): -8.5944 -8.5944 -8.5631 -8.5631 -8.5439 -8.5439 -8.5256 -8.5256 -7.7920 -7.7920 -7.7446 -7.7446 -7.6942 -7.6942 -7.6837 -7.6837 -7.6792 -7.6792 -7.6605 -7.6605 -2.4257 -2.4257 -2.4176 -2.4176 0.5891 0.5891 0.6926 0.6926 3.2928 3.2928 3.4401 3.4401 5.0225 5.0225 5.1360 5.1360 8.3312 8.3312 8.4255 8.4255 10.6762 10.6762 10.8136 10.8136 k = 0.2979 0.5159 0.3063 ( 3826 PWs) bands (ev): -8.5941 -8.5941 -8.5631 -8.5631 -8.5439 -8.5439 -8.5259 -8.5259 -7.7917 -7.7917 -7.7446 -7.7446 -7.6943 -7.6943 -7.6840 -7.6840 -7.6789 -7.6789 -7.6606 -7.6606 -2.4420 -2.4420 -2.4344 -2.4344 0.6083 0.6083 0.7096 0.7096 3.3238 3.3238 3.4700 3.4700 5.0111 5.0111 5.1244 5.1244 8.3407 8.3407 8.4350 8.4350 10.6919 10.6919 10.8235 10.8235 k = 0.2908 0.5036 0.3063 ( 3826 PWs) bands (ev): -8.5938 -8.5938 -8.5631 -8.5631 -8.5439 -8.5439 -8.5262 -8.5262 -7.7913 -7.7913 -7.7447 -7.7447 -7.6944 -7.6944 -7.6843 -7.6843 -7.6787 -7.6787 -7.6608 -7.6608 -2.4623 -2.4623 -2.4552 -2.4552 0.6328 0.6328 0.7316 0.7316 3.3607 3.3607 3.5057 3.5057 4.9971 4.9971 5.1101 5.1101 8.3535 8.3535 8.4478 8.4478 10.7071 10.7071 10.8293 10.8293 k = 0.2837 0.4914 0.3063 ( 3826 PWs) bands (ev): -8.5934 -8.5934 -8.5632 -8.5632 -8.5439 -8.5439 -8.5266 -8.5266 -7.7908 -7.7908 -7.7448 -7.7448 -7.6945 -7.6945 -7.6846 -7.6846 -7.6785 -7.6785 -7.6609 -7.6609 -2.4864 -2.4864 -2.4799 -2.4799 0.6630 0.6630 0.7590 0.7590 3.4030 3.4030 3.5468 3.5468 4.9806 4.9806 5.0934 5.0934 8.3698 8.3698 8.4641 8.4641 10.7188 10.7188 10.8271 10.8271 k = 0.2766 0.4791 0.3063 ( 3824 PWs) bands (ev): -8.5930 -8.5930 -8.5632 -8.5632 -8.5438 -8.5438 -8.5270 -8.5270 -7.7904 -7.7904 -7.7448 -7.7448 -7.6946 -7.6946 -7.6848 -7.6848 -7.6783 -7.6783 -7.6611 -7.6611 -2.5143 -2.5143 -2.5084 -2.5084 0.6989 0.6989 0.7920 0.7920 3.4504 3.4504 3.5930 3.5930 4.9618 4.9618 5.0743 5.0743 8.3897 8.3897 8.4841 8.4841 10.7229 10.7229 10.8136 10.8136 k = 0.2695 0.4668 0.3063 ( 3824 PWs) bands (ev): -8.5925 -8.5925 -8.5633 -8.5633 -8.5438 -8.5438 -8.5275 -8.5275 -7.7899 -7.7899 -7.7449 -7.7449 -7.6947 -7.6947 -7.6850 -7.6850 -7.6782 -7.6782 -7.6613 -7.6613 -2.5457 -2.5457 -2.5405 -2.5405 0.7406 0.7406 0.8307 0.8307 3.5025 3.5025 3.6439 3.6439 4.9408 4.9408 5.0530 5.0530 8.4133 8.4133 8.5078 8.5078 10.7134 10.7134 10.7886 10.7886 k = 0.2624 0.4545 0.3063 ( 3828 PWs) bands (ev): -8.5920 -8.5920 -8.5633 -8.5633 -8.5437 -8.5437 -8.5280 -8.5280 -7.7893 -7.7893 -7.7449 -7.7449 -7.6949 -7.6949 -7.6853 -7.6853 -7.6781 -7.6781 -7.6615 -7.6615 -2.5805 -2.5805 -2.5759 -2.5759 0.7880 0.7880 0.8750 0.8750 3.5588 3.5588 3.6992 3.6992 4.9179 4.9179 5.0299 5.0299 8.4403 8.4403 8.5352 8.5352 10.6856 10.6856 10.7549 10.7549 k = 0.2553 0.4422 0.3063 ( 3834 PWs) bands (ev): -8.5914 -8.5914 -8.5634 -8.5634 -8.5437 -8.5437 -8.5286 -8.5286 -7.7887 -7.7887 -7.7450 -7.7450 -7.6950 -7.6950 -7.6855 -7.6855 -7.6781 -7.6781 -7.6618 -7.6618 -2.6184 -2.6184 -2.6144 -2.6144 0.8409 0.8409 0.9250 0.9250 3.6190 3.6190 3.7586 3.7586 4.8934 4.8934 5.0053 5.0053 8.4706 8.4706 8.5662 8.5662 10.6406 10.6406 10.7133 10.7133 k = 0.2482 0.4299 0.3063 ( 3830 PWs) bands (ev): -8.5909 -8.5909 -8.5634 -8.5634 -8.5437 -8.5437 -8.5291 -8.5291 -7.7881 -7.7881 -7.7450 -7.7450 -7.6951 -7.6951 -7.6857 -7.6857 -7.6781 -7.6781 -7.6620 -7.6620 -2.6590 -2.6590 -2.6555 -2.6555 0.8993 0.8993 0.9804 0.9804 3.6828 3.6828 3.8218 3.8218 4.8676 4.8676 4.9796 4.9796 8.5039 8.5039 8.6006 8.6006 10.5848 10.5848 10.6626 10.6626 k = 0.2411 0.4177 0.3063 ( 3834 PWs) bands (ev): -8.5902 -8.5902 -8.5635 -8.5635 -8.5436 -8.5436 -8.5297 -8.5297 -7.7875 -7.7875 -7.7450 -7.7450 -7.6952 -7.6952 -7.6859 -7.6859 -7.6781 -7.6781 -7.6623 -7.6623 -2.7020 -2.7020 -2.6990 -2.6990 0.9628 0.9628 1.0410 1.0410 3.7496 3.7496 3.8884 3.8884 4.8408 4.8408 4.9532 4.9532 8.5397 8.5397 8.6380 8.6380 10.5236 10.5236 10.6039 10.6039 k = 0.2340 0.4054 0.3063 ( 3838 PWs) bands (ev): -8.5896 -8.5896 -8.5635 -8.5635 -8.5436 -8.5436 -8.5303 -8.5303 -7.7869 -7.7869 -7.7450 -7.7450 -7.6953 -7.6953 -7.6861 -7.6861 -7.6781 -7.6781 -7.6627 -7.6627 -2.7471 -2.7471 -2.7445 -2.7445 1.0312 1.0312 1.1066 1.1066 3.8192 3.8192 3.9582 3.9582 4.8135 4.8135 4.9267 4.9267 8.5776 8.5776 8.6782 8.6782 10.4603 10.4603 10.5397 10.5397 k = 0.2270 0.3931 0.3063 ( 3842 PWs) bands (ev): -8.5889 -8.5889 -8.5636 -8.5636 -8.5435 -8.5435 -8.5309 -8.5309 -7.7862 -7.7862 -7.7450 -7.7450 -7.6953 -7.6953 -7.6864 -7.6864 -7.6781 -7.6781 -7.6630 -7.6630 -2.7939 -2.7939 -2.7916 -2.7916 1.1040 1.1040 1.1769 1.1769 3.8909 3.8909 4.0308 4.0308 4.7861 4.7861 4.9004 4.9004 8.6170 8.6170 8.7206 8.7206 10.3967 10.3967 10.4724 10.4724 k = 0.2199 0.3808 0.3063 ( 3842 PWs) bands (ev): -8.5882 -8.5882 -8.5636 -8.5636 -8.5435 -8.5435 -8.5316 -8.5316 -7.7856 -7.7856 -7.7450 -7.7450 -7.6954 -7.6954 -7.6866 -7.6866 -7.6781 -7.6781 -7.6634 -7.6634 -2.8420 -2.8420 -2.8400 -2.8400 1.1810 1.1810 1.2516 1.2516 3.9644 3.9644 4.1059 4.1059 4.7591 4.7591 4.8752 4.8752 8.6571 8.6571 8.7647 8.7647 10.3340 10.3340 10.4040 10.4040 k = 0.2128 0.3685 0.3063 ( 3854 PWs) bands (ev): -8.5875 -8.5875 -8.5637 -8.5637 -8.5434 -8.5434 -8.5322 -8.5322 -7.7849 -7.7849 -7.7451 -7.7451 -7.6955 -7.6955 -7.6869 -7.6869 -7.6781 -7.6781 -7.6638 -7.6638 -2.8912 -2.8912 -2.8893 -2.8893 1.2618 1.2618 1.3302 1.3302 4.0388 4.0388 4.1831 4.1831 4.7331 4.7331 4.8518 4.8518 8.6973 8.6973 8.8101 8.8101 10.2725 10.2725 10.3360 10.3360 k = 0.2057 0.3562 0.3063 ( 3846 PWs) bands (ev): -8.5868 -8.5868 -8.5637 -8.5637 -8.5434 -8.5434 -8.5328 -8.5328 -7.7842 -7.7842 -7.7451 -7.7451 -7.6955 -7.6955 -7.6872 -7.6872 -7.6781 -7.6781 -7.6642 -7.6642 -2.9412 -2.9412 -2.9392 -2.9392 1.3458 1.3458 1.4123 1.4123 4.1133 4.1133 4.2620 4.2620 4.7088 4.7088 4.8311 4.8311 8.7367 8.7367 8.8559 8.8559 10.2122 10.2122 10.2698 10.2698 k = 0.1986 0.3440 0.3063 ( 3848 PWs) bands (ev): -8.5860 -8.5860 -8.5637 -8.5637 -8.5434 -8.5434 -8.5335 -8.5335 -7.7836 -7.7836 -7.7451 -7.7451 -7.6955 -7.6955 -7.6876 -7.6876 -7.6781 -7.6781 -7.6647 -7.6647 -2.9915 -2.9915 -2.9895 -2.9895 1.4327 1.4327 1.4976 1.4976 4.1867 4.1867 4.3421 4.3421 4.6868 4.6868 4.8146 4.8146 8.7745 8.7745 8.9016 8.9016 10.1526 10.1526 10.2071 10.2071 k = 0.1915 0.3317 0.3063 ( 3854 PWs) bands (ev): -8.5853 -8.5853 -8.5637 -8.5637 -8.5434 -8.5434 -8.5341 -8.5341 -7.7829 -7.7829 -7.7451 -7.7451 -7.6955 -7.6955 -7.6879 -7.6879 -7.6780 -7.6780 -7.6651 -7.6651 -3.0420 -3.0420 -3.0398 -3.0398 1.5219 1.5219 1.5855 1.5855 4.2572 4.2572 4.4227 4.4227 4.6685 4.6685 4.8041 4.8041 8.8096 8.8096 8.9464 8.9464 10.0928 10.0928 10.1494 10.1494 k = 0.1844 0.3194 0.3063 ( 3850 PWs) bands (ev): -8.5845 -8.5845 -8.5637 -8.5637 -8.5434 -8.5434 -8.5347 -8.5347 -7.7822 -7.7822 -7.7451 -7.7451 -7.6956 -7.6956 -7.6883 -7.6883 -7.6779 -7.6779 -7.6656 -7.6656 -3.0922 -3.0922 -3.0900 -3.0900 1.6129 1.6129 1.6755 1.6755 4.3220 4.3220 4.5020 4.5020 4.6557 4.6557 4.8023 4.8023 8.8412 8.8412 8.9893 8.9893 10.0322 10.0322 10.0977 10.0977 k = 0.1773 0.3071 0.3063 ( 3842 PWs) bands (ev): -8.5837 -8.5837 -8.5637 -8.5637 -8.5435 -8.5435 -8.5354 -8.5354 -7.7815 -7.7815 -7.7452 -7.7452 -7.6956 -7.6956 -7.6887 -7.6887 -7.6778 -7.6778 -7.6661 -7.6661 -3.1421 -3.1421 -3.1398 -3.1398 1.7051 1.7051 1.7670 1.7670 4.3780 4.3780 4.5733 4.5733 4.6555 4.6555 4.8129 4.8129 8.8684 8.8684 9.0295 9.0295 9.9717 9.9717 10.0520 10.0520 k = 0.1702 0.2948 0.3063 ( 3846 PWs) bands (ev): -8.5828 -8.5828 -8.5637 -8.5637 -8.5435 -8.5435 -8.5360 -8.5360 -7.7807 -7.7807 -7.7452 -7.7452 -7.6956 -7.6956 -7.6891 -7.6891 -7.6776 -7.6776 -7.6666 -7.6666 -3.1914 -3.1914 -3.1889 -3.1889 1.7979 1.7979 1.8594 1.8594 4.4220 4.4220 4.6094 4.6094 4.6952 4.6952 4.8393 4.8393 8.8903 8.8903 9.0659 9.0659 9.9123 9.9123 10.0116 10.0116 k = 0.1631 0.2825 0.3063 ( 3850 PWs) bands (ev): -8.5820 -8.5820 -8.5636 -8.5636 -8.5437 -8.5437 -8.5366 -8.5366 -7.7800 -7.7800 -7.7453 -7.7453 -7.6956 -7.6956 -7.6896 -7.6896 -7.6775 -7.6775 -7.6672 -7.6672 -3.2398 -3.2398 -3.2372 -3.2372 1.8907 1.8907 1.9521 1.9521 4.4536 4.4536 4.6172 4.6172 4.7676 4.7676 4.8830 4.8830 8.9062 8.9062 9.0974 9.0974 9.8552 9.8552 9.9760 9.9760 k = 0.1560 0.2702 0.3063 ( 3844 PWs) bands (ev): -8.5812 -8.5812 -8.5636 -8.5636 -8.5438 -8.5438 -8.5372 -8.5372 -7.7793 -7.7793 -7.7453 -7.7453 -7.6956 -7.6956 -7.6900 -7.6900 -7.6773 -7.6773 -7.6677 -7.6677 -3.2871 -3.2871 -3.2844 -3.2844 1.9827 1.9827 2.0442 2.0442 4.4759 4.4759 4.6229 4.6229 4.8464 4.8464 4.9415 4.9415 8.9156 8.9156 9.1225 9.1225 9.8018 9.8018 9.9448 9.9448 k = 0.1489 0.2580 0.3063 ( 3848 PWs) bands (ev): -8.5803 -8.5803 -8.5635 -8.5635 -8.5440 -8.5440 -8.5379 -8.5379 -7.7785 -7.7785 -7.7454 -7.7454 -7.6956 -7.6956 -7.6904 -7.6904 -7.6771 -7.6771 -7.6683 -7.6683 -3.3333 -3.3333 -3.3305 -3.3305 2.0733 2.0733 2.1349 2.1349 4.4939 4.4939 4.6317 4.6317 4.9268 4.9268 5.0104 5.0104 8.9181 8.9181 9.1397 9.1397 9.7536 9.7536 9.9180 9.9180 k = 0.1418 0.2457 0.3063 ( 3852 PWs) bands (ev): -8.5794 -8.5794 -8.5634 -8.5634 -8.5442 -8.5442 -8.5385 -8.5385 -7.7777 -7.7777 -7.7456 -7.7456 -7.6957 -7.6957 -7.6907 -7.6907 -7.6768 -7.6768 -7.6688 -7.6688 -3.3782 -3.3782 -3.3753 -3.3753 2.1615 2.1615 2.2234 2.2234 4.5119 4.5119 4.6452 4.6452 5.0079 5.0079 5.0851 5.0851 8.9134 8.9134 9.1469 9.1469 9.7127 9.7127 9.8952 9.8952 k = 0.1348 0.2334 0.3063 ( 3852 PWs) bands (ev): -8.5785 -8.5785 -8.5633 -8.5633 -8.5445 -8.5445 -8.5391 -8.5391 -7.7769 -7.7769 -7.7457 -7.7457 -7.6957 -7.6957 -7.6911 -7.6911 -7.6766 -7.6766 -7.6694 -7.6693 -3.4215 -3.4215 -3.4185 -3.4185 2.2466 2.2466 2.3088 2.3088 4.5332 4.5332 4.6645 4.6645 5.0892 5.0892 5.1628 5.1628 8.9013 8.9013 9.1420 9.1420 9.6812 9.6812 9.8767 9.8767 k = 0.1277 0.2211 0.3063 ( 3848 PWs) bands (ev): -8.5776 -8.5776 -8.5631 -8.5631 -8.5448 -8.5448 -8.5397 -8.5397 -7.7761 -7.7761 -7.7459 -7.7459 -7.6958 -7.6958 -7.6914 -7.6914 -7.6763 -7.6763 -7.6699 -7.6699 -3.4632 -3.4632 -3.4602 -3.4602 2.3278 2.3278 2.3902 2.3902 4.5600 4.5600 4.6906 4.6906 5.1702 5.1702 5.2413 5.2413 8.8818 8.8818 9.1235 9.1235 9.6607 9.6607 9.8625 9.8625 k = 0.1206 0.2088 0.3063 ( 3844 PWs) bands (ev): -8.5767 -8.5767 -8.5629 -8.5629 -8.5452 -8.5452 -8.5404 -8.5404 -7.7752 -7.7752 -7.7461 -7.7461 -7.6959 -7.6959 -7.6917 -7.6917 -7.6761 -7.6761 -7.6704 -7.6704 -3.5032 -3.5032 -3.5002 -3.5002 2.4044 2.4044 2.4666 2.4666 4.5938 4.5938 4.7242 4.7242 5.2503 5.2503 5.3194 5.3194 8.8547 8.8547 9.0907 9.0907 9.6519 9.6519 9.8528 9.8528 k = 0.1135 0.1965 0.3063 ( 3848 PWs) bands (ev): -8.5758 -8.5758 -8.5627 -8.5627 -8.5455 -8.5455 -8.5411 -8.5411 -7.7744 -7.7744 -7.7464 -7.7464 -7.6961 -7.6961 -7.6920 -7.6920 -7.6758 -7.6758 -7.6709 -7.6709 -3.5414 -3.5414 -3.5383 -3.5383 2.4758 2.4758 2.5373 2.5373 4.6357 4.6357 4.7660 4.7660 5.3291 5.3291 5.3962 5.3962 8.8199 8.8199 9.0446 9.0446 9.6542 9.6542 9.8478 9.8478 k = 0.1064 0.1843 0.3063 ( 3844 PWs) bands (ev): -8.5748 -8.5748 -8.5625 -8.5625 -8.5460 -8.5460 -8.5418 -8.5418 -7.7735 -7.7735 -7.7467 -7.7467 -7.6962 -7.6962 -7.6923 -7.6923 -7.6756 -7.6756 -7.6713 -7.6713 -3.5777 -3.5777 -3.5746 -3.5746 2.5414 2.5414 2.6018 2.6018 4.6864 4.6864 4.8162 4.8162 5.4061 5.4061 5.4712 5.4712 8.7772 8.7772 8.9867 8.9867 9.6659 9.6659 9.8479 9.8479 k = 0.0993 0.1720 0.3063 ( 3848 PWs) bands (ev): -8.5738 -8.5738 -8.5623 -8.5623 -8.5464 -8.5464 -8.5425 -8.5425 -7.7725 -7.7725 -7.7470 -7.7470 -7.6964 -7.6964 -7.6925 -7.6925 -7.6753 -7.6753 -7.6718 -7.6718 -3.6119 -3.6119 -3.6089 -3.6089 2.6008 2.6008 2.6595 2.6595 4.7461 4.7461 4.8749 4.8749 5.4810 5.4810 5.5438 5.5438 8.7263 8.7263 8.9186 8.9186 9.6854 9.6854 9.8532 9.8532 k = 0.0922 0.1597 0.3063 ( 3848 PWs) bands (ev): -8.5728 -8.5728 -8.5620 -8.5620 -8.5469 -8.5469 -8.5432 -8.5432 -7.7716 -7.7716 -7.7474 -7.7474 -7.6966 -7.6966 -7.6928 -7.6928 -7.6751 -7.6751 -7.6722 -7.6722 -3.6440 -3.6440 -3.6411 -3.6411 2.6540 2.6540 2.7103 2.7103 4.8146 4.8146 4.9419 4.9419 5.5533 5.5533 5.6136 5.6136 8.6671 8.6671 8.8417 8.8417 9.7115 9.7115 9.8638 9.8638 k = 0.0851 0.1474 0.3063 ( 3840 PWs) bands (ev): -8.5718 -8.5718 -8.5617 -8.5617 -8.5474 -8.5474 -8.5440 -8.5440 -7.7706 -7.7706 -7.7478 -7.7478 -7.6967 -7.6967 -7.6930 -7.6930 -7.6749 -7.6749 -7.6725 -7.6725 -3.6740 -3.6740 -3.6712 -3.6712 2.7009 2.7009 2.7542 2.7542 4.8915 4.8915 5.0166 5.0166 5.6230 5.6230 5.6804 5.6804 8.5995 8.5995 8.7567 8.7567 9.7429 9.7429 9.8796 9.8796 k = 0.0780 0.1351 0.3063 ( 3836 PWs) bands (ev): -8.5708 -8.5708 -8.5613 -8.5613 -8.5479 -8.5479 -8.5448 -8.5448 -7.7696 -7.7696 -7.7483 -7.7483 -7.6969 -7.6969 -7.6933 -7.6933 -7.6747 -7.6747 -7.6728 -7.6728 -3.7018 -3.7018 -3.6991 -3.6991 2.7419 2.7419 2.7917 2.7917 4.9757 4.9757 5.0980 5.0980 5.6899 5.6899 5.7442 5.7442 8.5237 8.5237 8.6647 8.6647 9.7787 9.7787 9.9002 9.9002 k = 0.0709 0.1228 0.3063 ( 3836 PWs) bands (ev): -8.5697 -8.5697 -8.5610 -8.5610 -8.5484 -8.5484 -8.5457 -8.5457 -7.7685 -7.7685 -7.7489 -7.7489 -7.6970 -7.6970 -7.6935 -7.6935 -7.6745 -7.6745 -7.6730 -7.6730 -3.7273 -3.7273 -3.7247 -3.7247 2.7771 2.7771 2.8230 2.8230 5.0659 5.0659 5.1846 5.1846 5.7541 5.7541 5.8049 5.8049 8.4400 8.4400 8.5662 8.5662 9.8181 9.8181 9.9251 9.9251 k = 0.0638 0.1106 0.3063 ( 3828 PWs) bands (ev): -8.5687 -8.5687 -8.5607 -8.5607 -8.5489 -8.5489 -8.5465 -8.5465 -7.7675 -7.7675 -7.7495 -7.7495 -7.6971 -7.6971 -7.6938 -7.6938 -7.6743 -7.6743 -7.6732 -7.6732 -3.7505 -3.7505 -3.7481 -3.7481 2.8071 2.8071 2.8488 2.8488 5.1605 5.1605 5.2746 5.2746 5.8159 5.8159 5.8626 5.8626 8.3493 8.3493 8.4622 8.4622 9.8601 9.8601 9.9533 9.9533 k = 0.0567 0.0983 0.3063 ( 3836 PWs) bands (ev): -8.5676 -8.5676 -8.5603 -8.5603 -8.5494 -8.5494 -8.5474 -8.5474 -7.7664 -7.7664 -7.7501 -7.7501 -7.6971 -7.6971 -7.6941 -7.6941 -7.6741 -7.6741 -7.6734 -7.6734 -3.7713 -3.7713 -3.7691 -3.7691 2.8325 2.8325 2.8697 2.8697 5.2571 5.2571 5.3655 5.3655 5.8758 5.8758 5.9179 5.9179 8.2529 8.2529 8.3538 8.3538 9.9034 9.9034 9.9835 9.9835 k = 0.0496 0.0860 0.3063 ( 3828 PWs) bands (ev): -8.5666 -8.5666 -8.5600 -8.5600 -8.5500 -8.5500 -8.5483 -8.5483 -7.7653 -7.7653 -7.7509 -7.7509 -7.6972 -7.6972 -7.6944 -7.6944 -7.6740 -7.6740 -7.6735 -7.6735 -3.7898 -3.7898 -3.7878 -3.7878 2.8536 2.8536 2.8863 2.8863 5.3533 5.3533 5.4544 5.4544 5.9346 5.9346 5.9713 5.9713 8.1528 8.1528 8.2427 8.2427 9.9464 9.9464 10.0139 10.0139 k = 0.0426 0.0737 0.3063 ( 3824 PWs) bands (ev): -8.5655 -8.5655 -8.5596 -8.5596 -8.5505 -8.5505 -8.5492 -8.5492 -7.7642 -7.7642 -7.7516 -7.7516 -7.6972 -7.6972 -7.6947 -7.6947 -7.6739 -7.6739 -7.6736 -7.6736 -3.8058 -3.8058 -3.8040 -3.8040 2.8712 2.8712 2.8991 2.8991 5.4459 5.4459 5.5376 5.5376 5.9932 5.9932 6.0234 6.0234 8.0515 8.0515 8.1311 8.1311 9.9871 9.9871 10.0418 10.0418 k = 0.0355 0.0614 0.3063 ( 3824 PWs) bands (ev): -8.5644 -8.5644 -8.5594 -8.5594 -8.5510 -8.5510 -8.5501 -8.5501 -7.7630 -7.7630 -7.7525 -7.7525 -7.6971 -7.6971 -7.6950 -7.6950 -7.6738 -7.6738 -7.6736 -7.6736 -3.8194 -3.8194 -3.8179 -3.8179 2.8855 2.8855 2.9088 2.9088 5.5315 5.5315 5.6113 5.6113 6.0521 6.0521 6.0749 6.0749 7.9524 7.9524 8.0218 8.0218 10.0227 10.0227 10.0642 10.0642 k = 0.0284 0.0491 0.3063 ( 3832 PWs) bands (ev): -8.5634 -8.5634 -8.5592 -8.5592 -8.5514 -8.5514 -8.5509 -8.5509 -7.7619 -7.7619 -7.7534 -7.7534 -7.6971 -7.6971 -7.6954 -7.6954 -7.6738 -7.6738 -7.6737 -7.6737 -3.8305 -3.8305 -3.8293 -3.8293 2.8970 2.8970 2.9156 2.9156 5.6066 5.6066 5.6722 5.6722 6.1106 6.1106 6.1254 6.1254 7.8599 7.8599 7.9186 7.9186 10.0501 10.0501 10.0785 10.0785 k = 0.0213 0.0369 0.3063 ( 3828 PWs) bands (ev): -8.5624 -8.5624 -8.5591 -8.5591 -8.5518 -8.5518 -8.5516 -8.5516 -7.7608 -7.7607 -7.7543 -7.7543 -7.6970 -7.6970 -7.6956 -7.6956 -7.6737 -7.6737 -7.6737 -7.6737 -3.8391 -3.8391 -3.8382 -3.8382 2.9062 2.9062 2.9201 2.9201 5.6685 5.6685 5.7180 5.7180 6.1656 6.1656 6.1733 6.1733 7.7795 7.7795 7.8261 7.8261 10.0675 10.0675 10.0846 10.0846 k = 0.0142 0.0246 0.3063 ( 3826 PWs) bands (ev): -8.5614 -8.5614 -8.5591 -8.5591 -8.5522 -8.5522 -8.5521 -8.5521 -7.7596 -7.7596 -7.7553 -7.7553 -7.6968 -7.6968 -7.6959 -7.6959 -7.6737 -7.6737 -7.6737 -7.6737 -3.8452 -3.8452 -3.8446 -3.8446 2.9132 2.9132 2.9224 2.9224 5.7152 5.7152 5.7481 5.7481 6.2119 6.2119 6.2146 6.2146 7.7175 7.7175 7.7503 7.7503 10.0758 10.0758 10.0850 10.0850 k = 0.0071 0.0123 0.3063 ( 3820 PWs) bands (ev): -8.5606 -8.5606 -8.5594 -8.5594 -8.5524 -8.5524 -8.5524 -8.5524 -7.7585 -7.7585 -7.7564 -7.7564 -7.6966 -7.6966 -7.6962 -7.6962 -7.6737 -7.6737 -7.6737 -7.6737 -3.8488 -3.8488 -3.8485 -3.8485 2.9182 2.9182 2.9228 2.9228 5.7464 5.7464 5.7627 5.7627 6.2430 6.2430 6.2434 6.2434 7.6804 7.6804 7.6975 7.6975 10.0789 10.0789 10.0830 10.0830 k = 0.0000 0.0000 0.3063 ( 3808 PWs) bands (ev): -8.5599 -8.5599 -8.5599 -8.5599 -8.5525 -8.5525 -8.5525 -8.5525 -7.7574 -7.7574 -7.7574 -7.7574 -7.6964 -7.6964 -7.6964 -7.6964 -7.6736 -7.6736 -7.6736 -7.6736 -3.8499 -3.8499 -3.8499 -3.8499 2.9214 2.9214 2.9214 2.9214 5.7621 5.7621 5.7621 5.7621 6.2539 6.2539 6.2539 6.2539 7.6733 7.6733 7.6733 7.6733 10.0808 10.0808 10.0808 10.0808 k = 0.5000 0.2887 0.3063 ( 3840 PWs) bands (ev): -8.5767 -8.5767 -8.5767 -8.5767 -8.5380 -8.5380 -8.5380 -8.5380 -7.7658 -7.7658 -7.7658 -7.7658 -7.6940 -7.6940 -7.6940 -7.6940 -7.6658 -7.6658 -7.6658 -7.6658 -2.6181 -2.6181 -2.6181 -2.6181 0.6657 0.6657 0.6657 0.6657 4.5863 4.5863 4.5863 4.5863 4.8612 4.8612 4.8612 4.8612 7.7189 7.7189 7.7189 7.7189 9.1157 9.1157 9.1157 9.1157 k = 0.5000 0.2887 0.2923 ( 3846 PWs) bands (ev): -8.5779 -8.5779 -8.5756 -8.5756 -8.5386 -8.5386 -8.5373 -8.5373 -7.7680 -7.7680 -7.7637 -7.7637 -7.6947 -7.6947 -7.6932 -7.6932 -7.6663 -7.6663 -7.6653 -7.6653 -2.6450 -2.6450 -2.5909 -2.5909 0.6339 0.6339 0.7001 0.7001 4.5199 4.5199 4.6399 4.6399 4.8010 4.8010 4.9278 4.9278 7.6674 7.6674 7.7689 7.7689 9.1184 9.1184 9.1308 9.1308 k = 0.5000 0.2887 0.2784 ( 3844 PWs) bands (ev): -8.5791 -8.5791 -8.5744 -8.5744 -8.5393 -8.5393 -8.5367 -8.5367 -7.7701 -7.7701 -7.7615 -7.7615 -7.6955 -7.6955 -7.6925 -7.6925 -7.6669 -7.6669 -7.6648 -7.6648 -2.6716 -2.6716 -2.5637 -2.5637 0.6048 0.6048 0.7369 0.7369 4.4437 4.4437 4.6648 4.6648 4.7671 4.7671 4.9943 4.9943 7.6188 7.6188 7.8133 7.8133 9.1409 9.1409 9.1616 9.1616 k = 0.5000 0.2887 0.2645 ( 3848 PWs) bands (ev): -8.5802 -8.5802 -8.5733 -8.5733 -8.5400 -8.5400 -8.5360 -8.5360 -7.7722 -7.7722 -7.7593 -7.7593 -7.6962 -7.6962 -7.6918 -7.6918 -7.6674 -7.6674 -7.6644 -7.6644 -2.6977 -2.6977 -2.5366 -2.5366 0.5785 0.5785 0.7759 0.7759 4.3588 4.3588 4.6381 4.6381 4.7845 4.7845 5.0567 5.0567 7.5772 7.5772 7.8488 7.8488 9.1832 9.1832 9.2071 9.2071 k = 0.5000 0.2887 0.2506 ( 3844 PWs) bands (ev): -8.5813 -8.5813 -8.5721 -8.5721 -8.5406 -8.5406 -8.5354 -8.5354 -7.7742 -7.7742 -7.7572 -7.7572 -7.6970 -7.6970 -7.6910 -7.6910 -7.6680 -7.6680 -7.6639 -7.6639 -2.7233 -2.7233 -2.5098 -2.5098 0.5551 0.5551 0.8169 0.8169 4.2672 4.2672 4.5929 4.5929 4.8202 4.8202 5.1124 5.1124 7.5466 7.5466 7.8738 7.8738 9.2404 9.2404 9.2706 9.2706 k = 0.5000 0.2887 0.2367 ( 3846 PWs) bands (ev): -8.5824 -8.5824 -8.5710 -8.5710 -8.5413 -8.5413 -8.5347 -8.5347 -7.7762 -7.7762 -7.7551 -7.7551 -7.6977 -7.6977 -7.6903 -7.6903 -7.6685 -7.6685 -7.6635 -7.6635 -2.7480 -2.7480 -2.4834 -2.4834 0.5347 0.5347 0.8597 0.8597 4.1711 4.1711 4.5473 4.5473 4.8550 4.8550 5.1601 5.1601 7.5296 7.5296 7.8883 7.8883 9.3044 9.3044 9.3573 9.3573 k = 0.5000 0.2887 0.2227 ( 3838 PWs) bands (ev): -8.5835 -8.5835 -8.5698 -8.5698 -8.5420 -8.5420 -8.5341 -8.5341 -7.7781 -7.7781 -7.7530 -7.7530 -7.6985 -7.6985 -7.6896 -7.6896 -7.6691 -7.6691 -7.6631 -7.6631 -2.7720 -2.7720 -2.4576 -2.4576 0.5172 0.5172 0.9039 0.9039 4.0725 4.0725 4.5040 4.5040 4.8841 4.8841 5.2002 5.2002 7.5283 7.5283 7.8935 7.8935 9.3730 9.3730 9.4656 9.4656 k = 0.5000 0.2887 0.2088 ( 3830 PWs) bands (ev): -8.5845 -8.5845 -8.5687 -8.5687 -8.5426 -8.5426 -8.5335 -8.5335 -7.7800 -7.7800 -7.7509 -7.7509 -7.6992 -7.6992 -7.6889 -7.6889 -7.6696 -7.6696 -7.6628 -7.6628 -2.7949 -2.7949 -2.4325 -2.4325 0.5028 0.5028 0.9493 0.9493 3.9729 3.9729 4.4635 4.4635 4.9044 4.9044 5.2340 5.2340 7.5434 7.5434 7.8912 7.8912 9.4458 9.4458 9.5916 9.5916 k = 0.5000 0.2887 0.1949 ( 3832 PWs) bands (ev): -8.5855 -8.5855 -8.5677 -8.5677 -8.5433 -8.5433 -8.5329 -8.5329 -7.7817 -7.7817 -7.7489 -7.7489 -7.6999 -7.6999 -7.6881 -7.6881 -7.6702 -7.6702 -7.6625 -7.6625 -2.8168 -2.8168 -2.4084 -2.4084 0.4912 0.4912 0.9956 0.9956 3.8740 3.8740 4.4257 4.4257 4.9138 4.9138 5.2643 5.2643 7.5744 7.5744 7.8839 7.8839 9.5221 9.5221 9.7320 9.7320 k = 0.5000 0.2887 0.1810 ( 3848 PWs) bands (ev): -8.5865 -8.5865 -8.5666 -8.5666 -8.5439 -8.5439 -8.5324 -8.5324 -7.7834 -7.7834 -7.7470 -7.7470 -7.7007 -7.7007 -7.6874 -7.6874 -7.6707 -7.6707 -7.6622 -7.6622 -2.8376 -2.8376 -2.3853 -2.3853 0.4824 0.4824 1.0423 1.0423 3.7768 3.7768 4.3905 4.3905 4.9107 4.9107 5.2934 5.2934 7.6196 7.6196 7.8736 7.8736 9.6004 9.6004 9.8842 9.8842 k = 0.5000 0.2887 0.1670 ( 3836 PWs) bands (ev): -8.5874 -8.5874 -8.5656 -8.5656 -8.5445 -8.5445 -8.5319 -8.5319 -7.7850 -7.7850 -7.7451 -7.7451 -7.7014 -7.7014 -7.6867 -7.6867 -7.6713 -7.6713 -7.6620 -7.6620 -2.8572 -2.8572 -2.3633 -2.3633 0.4762 0.4762 1.0890 1.0890 3.6824 3.6824 4.3579 4.3579 4.8952 4.8952 5.3233 5.3233 7.6754 7.6754 7.8635 7.8635 9.6792 9.6792 10.0459 10.0459 k = 0.5000 0.2887 0.1531 ( 3842 PWs) bands (ev): -8.5882 -8.5882 -8.5646 -8.5646 -8.5452 -8.5452 -8.5314 -8.5314 -7.7865 -7.7865 -7.7433 -7.7433 -7.7021 -7.7021 -7.6860 -7.6860 -7.6718 -7.6718 -7.6617 -7.6617 -2.8754 -2.8754 -2.3427 -2.3427 0.4725 0.4725 1.1352 1.1352 3.5916 3.5916 4.3277 4.3277 4.8689 4.8689 5.3542 5.3542 7.7338 7.7338 7.8605 7.8605 9.7564 9.7564 10.2149 10.2149 k = 0.5000 0.2887 0.1392 ( 3846 PWs) bands (ev): -8.5890 -8.5890 -8.5636 -8.5636 -8.5458 -8.5458 -8.5309 -8.5309 -7.7879 -7.7879 -7.7416 -7.7416 -7.7028 -7.7028 -7.6853 -7.6853 -7.6723 -7.6723 -7.6616 -7.6616 -2.8923 -2.8923 -2.3236 -2.3236 0.4710 0.4710 1.1805 1.1805 3.5054 3.5054 4.3000 4.3000 4.8343 4.8343 5.3859 5.3859 7.7720 7.7720 7.8859 7.8859 9.8296 9.8296 10.3896 10.3896 k = 0.5000 0.2887 0.1253 ( 3846 PWs) bands (ev): -8.5897 -8.5897 -8.5627 -8.5627 -8.5464 -8.5464 -8.5305 -8.5305 -7.7892 -7.7892 -7.7400 -7.7400 -7.7035 -7.7035 -7.6846 -7.6846 -7.6729 -7.6729 -7.6614 -7.6614 -2.9077 -2.9077 -2.3060 -2.3060 0.4714 0.4714 1.2244 1.2244 3.4244 3.4244 4.2748 4.2748 4.7941 4.7941 5.4176 5.4176 7.7766 7.7766 7.9511 7.9511 9.8957 9.8957 10.5680 10.5680 k = 0.5000 0.2887 0.1114 ( 3842 PWs) bands (ev): -8.5904 -8.5904 -8.5619 -8.5619 -8.5470 -8.5470 -8.5301 -8.5301 -7.7903 -7.7903 -7.7385 -7.7385 -7.7042 -7.7042 -7.6839 -7.6839 -7.6734 -7.6734 -7.6613 -7.6613 -2.9216 -2.9216 -2.2900 -2.2900 0.4733 0.4733 1.2661 1.2661 3.3494 3.3494 4.2520 4.2520 4.7512 4.7512 5.4483 5.4483 7.7680 7.7680 8.0338 8.0338 9.9515 9.9515 10.7452 10.7452 k = 0.5000 0.2887 0.0974 ( 3838 PWs) bands (ev): -8.5910 -8.5910 -8.5610 -8.5610 -8.5476 -8.5476 -8.5297 -8.5297 -7.7914 -7.7914 -7.7371 -7.7371 -7.7048 -7.7048 -7.6833 -7.6833 -7.6739 -7.6739 -7.6612 -7.6612 -2.9340 -2.9340 -2.2757 -2.2757 0.4764 0.4764 1.3051 1.3051 3.2812 3.2812 4.2316 4.2316 4.7078 4.7078 5.4773 5.4773 7.7565 7.7565 8.1215 8.1215 9.9935 9.9935 10.7168 10.7168 k = 0.5000 0.2887 0.0835 ( 3836 PWs) bands (ev): -8.5915 -8.5915 -8.5603 -8.5603 -8.5481 -8.5481 -8.5294 -8.5294 -7.7923 -7.7923 -7.7359 -7.7359 -7.7054 -7.7054 -7.6826 -7.6826 -7.6744 -7.6744 -7.6611 -7.6611 -2.9449 -2.9449 -2.2632 -2.2632 0.4803 0.4803 1.3407 1.3407 3.2204 3.2204 4.2138 4.2138 4.6661 4.6661 5.5039 5.5039 7.7450 7.7450 8.2091 8.2091 10.0197 10.0197 10.6537 10.6537 k = 0.5000 0.2887 0.0696 ( 3840 PWs) bands (ev): -8.5920 -8.5920 -8.5596 -8.5596 -8.5486 -8.5486 -8.5291 -8.5291 -7.7930 -7.7930 -7.7348 -7.7348 -7.7059 -7.7059 -7.6820 -7.6820 -7.6748 -7.6748 -7.6611 -7.6611 -2.9541 -2.9541 -2.2526 -2.2526 0.4846 0.4846 1.3723 1.3723 3.1677 3.1677 4.1985 4.1985 4.6280 4.6280 5.5274 5.5274 7.7345 7.7345 8.2927 8.2927 10.0296 10.0296 10.5984 10.5984 k = 0.5000 0.2887 0.0557 ( 3830 PWs) bands (ev): -8.5923 -8.5923 -8.5590 -8.5590 -8.5491 -8.5491 -8.5289 -8.5289 -7.7937 -7.7937 -7.7339 -7.7339 -7.7063 -7.7063 -7.6815 -7.6815 -7.6753 -7.6753 -7.6610 -7.6610 -2.9617 -2.9617 -2.2438 -2.2438 0.4887 0.4887 1.3991 1.3991 3.1236 3.1236 4.1859 4.1859 4.5947 4.5947 5.5473 5.5473 7.7255 7.7255 8.3691 8.3691 10.0258 10.0258 10.5519 10.5519 k = 0.5000 0.2887 0.0418 ( 3830 PWs) bands (ev): -8.5926 -8.5926 -8.5584 -8.5584 -8.5495 -8.5495 -8.5287 -8.5287 -7.7942 -7.7942 -7.7332 -7.7332 -7.7067 -7.7067 -7.6810 -7.6810 -7.6757 -7.6757 -7.6610 -7.6610 -2.9676 -2.9676 -2.2370 -2.2370 0.4924 0.4924 1.4208 1.4208 3.0887 3.0887 4.1759 4.1759 4.5677 4.5677 5.5633 5.5633 7.7183 7.7183 8.4344 8.4344 10.0132 10.0132 10.5150 10.5150 k = 0.5000 0.2887 0.0278 ( 3838 PWs) bands (ev): -8.5928 -8.5928 -8.5580 -8.5580 -8.5498 -8.5498 -8.5286 -8.5286 -7.7945 -7.7945 -7.7327 -7.7327 -7.7070 -7.7070 -7.6806 -7.6806 -7.6760 -7.6760 -7.6610 -7.6610 -2.9719 -2.9719 -2.2321 -2.2321 0.4953 0.4953 1.4366 1.4366 3.0634 3.0634 4.1687 4.1687 4.5477 4.5477 5.5749 5.5749 7.7131 7.7131 8.4848 8.4848 9.9979 9.9979 10.4883 10.4883 k = 0.5000 0.2887 0.0139 ( 3854 PWs) bands (ev): -8.5929 -8.5929 -8.5578 -8.5578 -8.5500 -8.5500 -8.5285 -8.5285 -7.7948 -7.7948 -7.7324 -7.7324 -7.7072 -7.7072 -7.6803 -7.6803 -7.6763 -7.6763 -7.6610 -7.6610 -2.9744 -2.9744 -2.2292 -2.2292 0.4972 0.4972 1.4463 1.4463 3.0481 3.0481 4.1643 4.1643 4.5354 4.5354 5.5820 5.5820 7.7099 7.7099 8.5169 8.5169 9.9858 9.9858 10.4722 10.4722 k = 0.5000 0.2887-0.0000 ( 3850 PWs) bands (ev): -8.5930 -8.5930 -8.5577 -8.5577 -8.5501 -8.5501 -8.5285 -8.5285 -7.7948 -7.7948 -7.7323 -7.7323 -7.7072 -7.7072 -7.6802 -7.6802 -7.6763 -7.6763 -7.6610 -7.6610 -2.9753 -2.9753 -2.2282 -2.2282 0.4978 0.4978 1.4495 1.4495 3.0430 3.0430 4.1629 4.1629 4.5313 4.5313 5.5844 5.5844 7.7088 7.7088 8.5279 8.5279 9.9812 9.9812 10.4669 10.4669 k = 0.3333 0.5774-0.0000 ( 3804 PWs) bands (ev): -8.5937 -8.5937 -8.5925 -8.5458 -8.5458 -8.5301 -8.5257 -8.5257 -7.8396 -7.7544 -7.7345 -7.7345 -7.7041 -7.7041 -7.6828 -7.6783 -7.6776 -7.6776 -7.6613 -7.6613 -2.4495 -2.4441 -2.4352 -2.4352 0.8780 0.9911 1.0433 1.0433 2.7077 2.7077 3.8430 3.9063 3.9063 3.9837 4.2984 4.2984 8.5884 8.5884 10.2020 10.7082 10.7082 10.7252 11.5649 11.9407 k = 0.3333 0.5774 0.0139 ( 3795 PWs) bands (ev): -8.5937 -8.5937 -8.5924 -8.5458 -8.5458 -8.5302 -8.5256 -8.5256 -7.8395 -7.7545 -7.7345 -7.7345 -7.7040 -7.7040 -7.6828 -7.6783 -7.6776 -7.6776 -7.6613 -7.6613 -2.4493 -2.4439 -2.4350 -2.4350 0.8759 0.9886 1.0411 1.0411 2.7090 2.7090 3.8483 3.9096 3.9096 3.9885 4.2972 4.2972 8.5939 8.5939 10.1917 10.6923 10.6923 10.7076 11.5580 11.9300 k = 0.3333 0.5774 0.0278 ( 3801 PWs) bands (ev): -8.5937 -8.5937 -8.5922 -8.5458 -8.5458 -8.5305 -8.5256 -8.5256 -7.8391 -7.7547 -7.7347 -7.7347 -7.7038 -7.7038 -7.6829 -7.6783 -7.6776 -7.6776 -7.6613 -7.6613 -2.4486 -2.4432 -2.4343 -2.4343 0.8699 0.9811 1.0343 1.0343 2.7130 2.7130 3.8640 3.9192 3.9192 4.0029 4.2940 4.2940 8.6107 8.6107 10.1610 10.6454 10.6454 10.6558 11.5407 11.9032 k = 0.3333 0.5774 0.0418 ( 3801 PWs) bands (ev): -8.5938 -8.5938 -8.5918 -8.5457 -8.5457 -8.5309 -8.5256 -8.5256 -7.8385 -7.7551 -7.7350 -7.7350 -7.7035 -7.7035 -7.6829 -7.6784 -7.6777 -7.6777 -7.6612 -7.6612 -2.4474 -2.4420 -2.4332 -2.4332 0.8602 0.9690 1.0233 1.0233 2.7196 2.7196 3.8898 3.9336 3.9336 4.0267 4.2900 4.2900 8.6383 8.6383 10.1105 10.5699 10.5699 10.5729 11.5206 11.8706 k = 0.3333 0.5774 0.0557 ( 3810 PWs) bands (ev): -8.5938 -8.5938 -8.5913 -8.5457 -8.5457 -8.5315 -8.5256 -8.5256 -7.8376 -7.7557 -7.7355 -7.7355 -7.7031 -7.7031 -7.6830 -7.6785 -7.6778 -7.6778 -7.6612 -7.6612 -2.4457 -2.4404 -2.4317 -2.4317 0.8469 0.9525 1.0083 1.0083 2.7289 2.7289 3.9253 3.9503 3.9503 4.0593 4.2876 4.2876 8.6767 8.6767 10.0412 10.4640 10.4699 10.4699 11.5032 11.8346 k = 0.3333 0.5774 0.0696 ( 3825 PWs) bands (ev): -8.5939 -8.5939 -8.5907 -8.5456 -8.5456 -8.5323 -8.5256 -8.5256 -7.8365 -7.7564 -7.7360 -7.7360 -7.7026 -7.7026 -7.6831 -7.6786 -7.6779 -7.6779 -7.6612 -7.6612 -2.4437 -2.4385 -2.4298 -2.4298 0.8306 0.9323 0.9900 0.9900 2.7408 2.7408 3.9654 3.9654 3.9699 4.1003 4.2903 4.2903 8.7254 8.7254 9.9549 10.3353 10.3502 10.3502 11.4911 11.7815 k = 0.3333 0.5774 0.0835 ( 3822 PWs) bands (ev): -8.5939 -8.5939 -8.5899 -8.5455 -8.5455 -8.5332 -8.5256 -8.5256 -7.8351 -7.7573 -7.7366 -7.7366 -7.7021 -7.7021 -7.6832 -7.6788 -7.6780 -7.6780 -7.6611 -7.6611 -2.4413 -2.4361 -2.4275 -2.4275 0.8117 0.9089 0.9687 0.9687 2.7552 2.7552 3.9740 3.9740 4.0226 4.1490 4.3029 4.3029 8.7840 8.7840 9.8539 10.1926 10.2158 10.2158 11.4844 11.7356 k = 0.3333 0.5774 0.0974 ( 3822 PWs) bands (ev): -8.5940 -8.5940 -8.5890 -8.5454 -8.5454 -8.5343 -8.5255 -8.5255 -7.8335 -7.7584 -7.7372 -7.7372 -7.7014 -7.7014 -7.6833 -7.6789 -7.6781 -7.6781 -7.6611 -7.6611 -2.4385 -2.4335 -2.4250 -2.4250 0.7907 0.8829 0.9451 0.9451 2.7723 2.7723 3.9720 3.9720 4.0828 4.2047 4.3290 4.3290 8.8521 8.8521 9.7409 10.0407 10.0712 10.0712 11.4824 11.6979 k = 0.3333 0.5774 0.1114 ( 3828 PWs) bands (ev): -8.5941 -8.5941 -8.5880 -8.5453 -8.5453 -8.5356 -8.5255 -8.5255 -7.8317 -7.7596 -7.7379 -7.7379 -7.7008 -7.7008 -7.6834 -7.6791 -7.6782 -7.6782 -7.6610 -7.6610 -2.4354 -2.4305 -2.4221 -2.4221 0.7683 0.8551 0.9199 0.9199 2.7918 2.7918 3.9581 3.9581 4.1494 4.2664 4.3695 4.3695 8.9290 8.9290 9.6186 9.8835 9.9205 9.9205 11.4843 11.6683 k = 0.3333 0.5774 0.1253 ( 3822 PWs) bands (ev): -8.5942 -8.5942 -8.5868 -8.5451 -8.5451 -8.5370 -8.5254 -8.5254 -7.8297 -7.7610 -7.7386 -7.7386 -7.7001 -7.7001 -7.6835 -7.6793 -7.6784 -7.6784 -7.6610 -7.6610 -2.4321 -2.4274 -2.4191 -2.4191 0.7449 0.8260 0.8935 0.8935 2.8139 2.8139 3.9337 3.9337 4.2214 4.3331 4.4224 4.4224 9.0140 9.0140 9.4900 9.7241 9.7669 9.7669 11.4891 11.6460 k = 0.3333 0.5774 0.1392 ( 3816 PWs) bands (ev): -8.5942 -8.5942 -8.5855 -8.5450 -8.5450 -8.5385 -8.5254 -8.5254 -7.8275 -7.7626 -7.7393 -7.7393 -7.6993 -7.6993 -7.6836 -7.6796 -7.6785 -7.6785 -7.6609 -7.6609 -2.4286 -2.4241 -2.4159 -2.4159 0.7211 0.7963 0.8667 0.8667 2.8383 2.8383 3.9012 3.9012 4.2978 4.4040 4.4848 4.4848 9.1059 9.1059 9.3578 9.5648 9.6139 9.6139 11.4964 11.6300 k = 0.3333 0.5774 0.1531 ( 3822 PWs) bands (ev): -8.5943 -8.5943 -8.5841 -8.5449 -8.5449 -8.5401 -8.5254 -8.5254 -7.8251 -7.7643 -7.7400 -7.7400 -7.6986 -7.6986 -7.6837 -7.6798 -7.6787 -7.6787 -7.6608 -7.6608 -2.4251 -2.4208 -2.4126 -2.4126 0.6974 0.7666 0.8399 0.8399 2.8652 2.8652 3.8628 3.8628 4.3773 4.4777 4.5539 4.5539 9.2011 9.2011 9.2244 9.4077 9.4669 9.4669 11.5054 11.6192 k = 0.3333 0.5774 0.1670 ( 3822 PWs) bands (ev): -8.5944 -8.5944 -8.5826 -8.5447 -8.5447 -8.5419 -8.5253 -8.5253 -7.8226 -7.7662 -7.7407 -7.7407 -7.6980 -7.6980 -7.6837 -7.6801 -7.6788 -7.6788 -7.6608 -7.6608 -2.4215 -2.4174 -2.4093 -2.4093 0.6744 0.7373 0.8137 0.8137 2.8943 2.8943 3.8201 3.8201 4.4589 4.5531 4.6273 4.6273 9.0923 9.2545 9.2546 9.2546 9.3721 9.3721 11.5159 11.6126 k = 0.3333 0.5774 0.1810 ( 3816 PWs) bands (ev): -8.5945 -8.5945 -8.5810 -8.5446 -8.5446 -8.5437 -8.5253 -8.5253 -7.8199 -7.7683 -7.7413 -7.7413 -7.6973 -7.6973 -7.6838 -7.6804 -7.6790 -7.6790 -7.6607 -7.6607 -2.4179 -2.4141 -2.4061 -2.4061 0.6524 0.7092 0.7886 0.7886 2.9257 2.9257 3.7743 3.7743 4.5412 4.6288 4.7028 4.7028 8.9636 9.1070 9.1474 9.1474 9.4501 9.4501 11.5272 11.6093 k = 0.3333 0.5774 0.1949 ( 3810 PWs) bands (ev): -8.5946 -8.5946 -8.5793 -8.5457 -8.5445 -8.5445 -8.5252 -8.5252 -7.8172 -7.7705 -7.7419 -7.7419 -7.6967 -7.6967 -7.6838 -7.6806 -7.6792 -7.6792 -7.6606 -7.6606 -2.4144 -2.4110 -2.4029 -2.4029 0.6320 0.6825 0.7650 0.7650 2.9591 2.9591 3.7264 3.7264 4.6227 4.7033 4.7787 4.7787 8.8407 8.9667 9.0154 9.0154 9.5663 9.5663 11.5391 11.6084 k = 0.3333 0.5774 0.2088 ( 3810 PWs) bands (ev): -8.5946 -8.5946 -8.5775 -8.5477 -8.5444 -8.5444 -8.5252 -8.5252 -7.8143 -7.7729 -7.7425 -7.7425 -7.6961 -7.6961 -7.6838 -7.6809 -7.6794 -7.6794 -7.6606 -7.6606 -2.4111 -2.4080 -2.4000 -2.4000 0.6134 0.6576 0.7433 0.7433 2.9945 2.9945 3.6770 3.6770 4.7020 4.7750 4.8528 4.8528 8.7255 8.8354 8.8892 8.8892 9.6916 9.6916 11.5511 11.6091 k = 0.3333 0.5774 0.2227 ( 3816 PWs) bands (ev): -8.5947 -8.5947 -8.5756 -8.5498 -8.5443 -8.5443 -8.5252 -8.5252 -7.8113 -7.7754 -7.7430 -7.7430 -7.6956 -7.6956 -7.6837 -7.6812 -7.6795 -7.6795 -7.6605 -7.6605 -2.4081 -2.4054 -2.3973 -2.3973 0.5971 0.6350 0.7238 0.7238 3.0317 3.0317 3.6270 3.6270 4.7773 4.8421 4.9232 4.9232 8.6204 8.7147 8.7729 8.7729 9.8232 9.8232 11.5629 11.6109 k = 0.3333 0.5774 0.2367 ( 3816 PWs) bands (ev): -8.5948 -8.5948 -8.5736 -8.5519 -8.5442 -8.5442 -8.5251 -8.5251 -7.8082 -7.7780 -7.7434 -7.7434 -7.6951 -7.6951 -7.6836 -7.6815 -7.6797 -7.6797 -7.6605 -7.6605 -2.4053 -2.4030 -2.3949 -2.3949 0.5833 0.6148 0.7068 0.7068 3.0704 3.0704 3.5769 3.5769 4.8467 4.9026 4.9879 4.9879 8.5276 8.6066 8.6692 8.6692 9.9600 9.9600 11.5236 11.5236 k = 0.3333 0.5774 0.2506 ( 3810 PWs) bands (ev): -8.5948 -8.5948 -8.5716 -8.5541 -8.5441 -8.5441 -8.5251 -8.5251 -7.8051 -7.7808 -7.7438 -7.7438 -7.6948 -7.6948 -7.6835 -7.6818 -7.6798 -7.6798 -7.6604 -7.6604 -2.4029 -2.4011 -2.3928 -2.3928 0.5722 0.5974 0.6926 0.6926 3.1102 3.1102 3.5274 3.5274 4.9085 4.9546 5.0448 5.0448 8.4492 8.5129 8.5805 8.5805 10.1013 10.1013 11.3629 11.3629 k = 0.3333 0.5774 0.2645 ( 3828 PWs) bands (ev): -8.5949 -8.5949 -8.5695 -8.5563 -8.5440 -8.5440 -8.5251 -8.5251 -7.8020 -7.7836 -7.7441 -7.7441 -7.6945 -7.6945 -7.6834 -7.6821 -7.6799 -7.6799 -7.6604 -7.6604 -2.4010 -2.3995 -2.3912 -2.3912 0.5641 0.5830 0.6814 0.6814 3.1502 3.1502 3.4796 3.4796 4.9606 4.9961 5.0917 5.0917 8.3873 8.4356 8.5086 8.5086 10.2464 10.2464 11.2016 11.2016 k = 0.3333 0.5774 0.2784 ( 3837 PWs) bands (ev): -8.5949 -8.5949 -8.5673 -8.5585 -8.5440 -8.5440 -8.5251 -8.5251 -7.7989 -7.7865 -7.7443 -7.7443 -7.6942 -7.6942 -7.6832 -7.6823 -7.6800 -7.6800 -7.6604 -7.6604 -2.3995 -2.3985 -2.3900 -2.3900 0.5591 0.5717 0.6732 0.6732 3.1887 3.1887 3.4355 3.4355 5.0013 5.0254 5.1269 5.1269 8.3440 8.3764 8.4557 8.4557 10.3941 10.3941 11.0418 11.0418 k = 0.3333 0.5774 0.2923 ( 3831 PWs) bands (ev): -8.5949 -8.5949 -8.5652 -8.5607 -8.5440 -8.5440 -8.5251 -8.5251 -7.7957 -7.7896 -7.7444 -7.7444 -7.6941 -7.6941 -7.6830 -7.6826 -7.6800 -7.6800 -7.6604 -7.6604 -2.3985 -2.3980 -2.3893 -2.3893 0.5573 0.5636 0.6683 0.6683 3.2208 3.2208 3.3998 3.3998 5.0289 5.0411 5.1487 5.1487 8.3206 8.3370 8.4233 8.4233 10.5404 10.5404 10.8881 10.8881 k = 0.3333 0.5774 0.3063 ( 3816 PWs) bands (ev): -8.5949 -8.5949 -8.5630 -8.5630 -8.5440 -8.5440 -8.5250 -8.5250 -7.7926 -7.7926 -7.7444 -7.7444 -7.6940 -7.6940 -7.6828 -7.6828 -7.6800 -7.6800 -7.6604 -7.6604 -2.3980 -2.3980 -2.3890 -2.3890 0.5588 0.5588 0.6666 0.6666 3.2350 3.2350 3.3846 3.3846 5.0423 5.0423 5.1561 5.1561 8.3182 8.3182 8.4124 8.4124 10.6409 10.6409 10.7851 10.7851 Writing output data file InSb.save init_run : 3.96s CPU 13.17s WALL ( 1 calls) electrons : 398.34s CPU 404.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 398.33s CPU 403.79s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.95s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.19s CPU 0.54s WALL ( 1 calls) newd : 0.49s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 299 calls) cegterg : 366.74s CPU 369.60s WALL ( 555 calls) Called by sum_band: Called by *egterg: h_psi : 183.40s CPU 188.93s WALL ( 8762 calls) s_psi : 21.19s CPU 21.41s WALL ( 8762 calls) g_psi : 0.42s CPU 0.45s WALL ( 7908 calls) cdiaghg : 118.28s CPU 116.91s WALL ( 8207 calls) cegterg:over : 30.46s CPU 28.18s WALL ( 7908 calls) cegterg:upda : 5.41s CPU 7.62s WALL ( 7908 calls) cegterg:last : 4.92s CPU 5.56s WALL ( 1550 calls) Called by h_psi: h_psi:vloc : 143.99s CPU 148.06s WALL ( 8762 calls) h_psi:vnl : 39.18s CPU 40.23s WALL ( 8762 calls) add_vuspsi : 13.52s CPU 16.46s WALL ( 8762 calls) General routines calbec : 25.62s CPU 23.69s WALL ( 8762 calls) fft : 0.30s CPU 1.54s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 137.65s CPU 140.43s WALL ( 840356 calls) interpolate : 0.03s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 1.11s WALL ( 598 calls) Parallel routines fft_scatter : 88.98s CPU 89.55s WALL ( 840379 calls) PWSCF : 7m29.28s CPU 8m28.78s WALL This run was terminated on: 3:48:12 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=