Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 8:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfGe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 54 15 1693 1028 158 Max 76 55 16 1695 1047 161 Sum 2719 1967 557 60967 37363 5735 bravais-lattice index = 14 lattice parameter (alat) = 11.8503 a.u. unit-cell volume = 833.1084 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.850277 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.701039 celldm(5)= -0.701039 celldm(6)= 0.402077 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.402077 0.915606 0.000000 ) a(3) = ( -0.701039 -0.457803 0.546774 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.439138 0.914455 ) b(2) = ( 0.000000 1.092173 0.914455 ) b(3) = ( 0.000000 0.000000 1.828911 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Ge 4.00 72.64000 Ge( 1.00) Hf 12.00 178.49000 Hf( 1.00) 4 Sym. Ops., with inversion, found ( 3 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 =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.2989613 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4578029 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.2010387 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4578029 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 309 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0000000 0.0198795), wk = 0.0032362 k( 3) = ( 0.0000000 0.0000000 0.0397589), wk = 0.0032362 k( 4) = ( 0.0000000 0.0000000 0.0596384), wk = 0.0032362 k( 5) = ( 0.0000000 0.0000000 0.0795179), wk = 0.0032362 k( 6) = ( 0.0000000 0.0000000 0.0993973), wk = 0.0032362 k( 7) = ( 0.0000000 0.0000000 0.1192768), wk = 0.0032362 k( 8) = ( 0.0000000 0.0000000 0.1391563), wk = 0.0032362 k( 9) = ( 0.0000000 0.0000000 0.1590357), wk = 0.0032362 k( 10) = ( 0.0000000 0.0000000 0.1789152), wk = 0.0032362 k( 11) = ( 0.0000000 0.0000000 0.1987946), wk = 0.0032362 k( 12) = ( 0.0000000 0.0000000 0.2186741), wk = 0.0032362 k( 13) = ( 0.0000000 0.0000000 0.2385536), wk = 0.0032362 k( 14) = ( 0.0000000 0.0000000 0.2584330), wk = 0.0032362 k( 15) = ( 0.0000000 0.0000000 0.2783125), wk = 0.0032362 k( 16) = ( 0.0000000 0.0000000 0.2981920), wk = 0.0032362 k( 17) = ( 0.0000000 0.0000000 0.3180714), wk = 0.0032362 k( 18) = ( 0.0000000 0.0000000 0.3379509), wk = 0.0032362 k( 19) = ( 0.0000000 0.0000000 0.3578303), wk = 0.0032362 k( 20) = ( 0.0000000 0.0000000 0.3777098), wk = 0.0032362 k( 21) = ( 0.0000000 0.0000000 0.3975893), wk = 0.0032362 k( 22) = ( 0.0000000 0.0000000 0.4174687), wk = 0.0032362 k( 23) = ( 0.0000000 0.0000000 0.4373482), wk = 0.0032362 k( 24) = ( 0.0000000 0.0000000 0.4572277), wk = 0.0032362 k( 25) = ( 0.0000000 0.0000000 0.4771071), wk = 0.0032362 k( 26) = ( 0.0000000 0.0000000 0.4969866), wk = 0.0032362 k( 27) = ( 0.0000000 0.0000000 0.5168661), wk = 0.0032362 k( 28) = ( 0.0000000 0.0000000 0.5367455), wk = 0.0032362 k( 29) = ( 0.0000000 0.0000000 0.5566250), wk = 0.0032362 k( 30) = ( 0.0000000 0.0000000 0.5765044), wk = 0.0032362 k( 31) = ( 0.0000000 0.0000000 0.5963839), wk = 0.0032362 k( 32) = ( 0.0000000 0.0000000 0.6162634), wk = 0.0032362 k( 33) = ( 0.0000000 0.0000000 0.6361428), wk = 0.0032362 k( 34) = ( 0.0000000 0.0000000 0.6560223), wk = 0.0032362 k( 35) = ( 0.0000000 0.0000000 0.6759018), wk = 0.0032362 k( 36) = ( 0.0000000 0.0000000 0.6957812), wk = 0.0032362 k( 37) = ( 0.0000000 0.0000000 0.7156607), wk = 0.0032362 k( 38) = ( 0.0000000 0.0000000 0.7355401), wk = 0.0032362 k( 39) = ( 0.0000000 0.0000000 0.7554196), wk = 0.0032362 k( 40) = ( 0.0000000 0.0000000 0.7752991), wk = 0.0032362 k( 41) = ( 0.0000000 0.0000000 0.7951785), wk = 0.0032362 k( 42) = ( 0.0000000 0.0000000 0.8150580), wk = 0.0032362 k( 43) = ( 0.0000000 0.0000000 0.8349375), wk = 0.0032362 k( 44) = ( 0.0000000 0.0000000 0.8548169), wk = 0.0032362 k( 45) = ( 0.0000000 0.0000000 0.8746964), wk = 0.0032362 k( 46) = ( 0.0000000 0.0000000 0.8945759), wk = 0.0032362 k( 47) = ( 0.0000000 0.0000000 0.9144553), wk = 0.0032362 k( 48) = ( 0.0000000 0.0000000 0.9144553), wk = 0.0032362 k( 49) = ( -0.0106614 0.0163259 0.9144553), wk = 0.0032362 k( 50) = ( -0.0213227 0.0326518 0.9144553), wk = 0.0032362 k( 51) = ( -0.0319841 0.0489776 0.9144553), wk = 0.0032362 k( 52) = ( -0.0426455 0.0653035 0.9144553), wk = 0.0032362 k( 53) = ( -0.0533069 0.0816294 0.9144553), wk = 0.0032362 k( 54) = ( -0.0639682 0.0979553 0.9144553), wk = 0.0032362 k( 55) = ( -0.0746296 0.1142811 0.9144553), wk = 0.0032362 k( 56) = ( -0.0852910 0.1306070 0.9144553), wk = 0.0032362 k( 57) = ( -0.0959523 0.1469329 0.9144553), wk = 0.0032362 k( 58) = ( -0.1066137 0.1632588 0.9144553), wk = 0.0032362 k( 59) = ( -0.1066137 0.1632588 0.9144553), wk = 0.0032362 k( 60) = ( -0.1141788 0.1748433 0.9006194), wk = 0.0032362 k( 61) = ( -0.1217440 0.1864279 0.8867835), wk = 0.0032362 k( 62) = ( -0.1293091 0.1980124 0.8729475), wk = 0.0032362 k( 63) = ( -0.1368742 0.2095970 0.8591116), wk = 0.0032362 k( 64) = ( -0.1444393 0.2211815 0.8452757), wk = 0.0032362 k( 65) = ( -0.1520044 0.2327661 0.8314397), wk = 0.0032362 k( 66) = ( -0.1595696 0.2443507 0.8176038), wk = 0.0032362 k( 67) = ( -0.1671347 0.2559352 0.8037679), wk = 0.0032362 k( 68) = ( -0.1746998 0.2675198 0.7899320), wk = 0.0032362 k( 69) = ( -0.1822649 0.2791043 0.7760960), wk = 0.0032362 k( 70) = ( -0.1898300 0.2906889 0.7622601), wk = 0.0032362 k( 71) = ( -0.1973952 0.3022734 0.7484242), wk = 0.0032362 k( 72) = ( -0.2049603 0.3138580 0.7345882), wk = 0.0032362 k( 73) = ( -0.2125254 0.3254425 0.7207523), wk = 0.0032362 k( 74) = ( -0.2200905 0.3370271 0.7069164), wk = 0.0032362 k( 75) = ( -0.2276556 0.3486117 0.6930804), wk = 0.0032362 k( 76) = ( -0.2352208 0.3601962 0.6792445), wk = 0.0032362 k( 77) = ( -0.2427859 0.3717808 0.6654086), wk = 0.0032362 k( 78) = ( -0.2503510 0.3833653 0.6515726), wk = 0.0032362 k( 79) = ( -0.2579161 0.3949499 0.6377367), wk = 0.0032362 k( 80) = ( -0.2654813 0.4065344 0.6239008), wk = 0.0032362 k( 81) = ( -0.2730464 0.4181190 0.6100649), wk = 0.0032362 k( 82) = ( -0.2806115 0.4297035 0.5962289), wk = 0.0032362 k( 83) = ( -0.2881766 0.4412881 0.5823930), wk = 0.0032362 k( 84) = ( -0.2957417 0.4528726 0.5685571), wk = 0.0032362 k( 85) = ( -0.3033069 0.4644572 0.5547211), wk = 0.0032362 k( 86) = ( -0.3033069 0.4644572 0.5547211), wk = 0.0032362 k( 87) = ( -0.2957242 0.4528458 0.5408531), wk = 0.0032362 k( 88) = ( -0.2881415 0.4412343 0.5269851), wk = 0.0032362 k( 89) = ( -0.2805588 0.4296229 0.5131171), wk = 0.0032362 k( 90) = ( -0.2729762 0.4180115 0.4992490), wk = 0.0032362 k( 91) = ( -0.2653935 0.4064001 0.4853810), wk = 0.0032362 k( 92) = ( -0.2578108 0.3947886 0.4715130), wk = 0.0032362 k( 93) = ( -0.2502282 0.3831772 0.4576449), wk = 0.0032362 k( 94) = ( -0.2426455 0.3715658 0.4437769), wk = 0.0032362 k( 95) = ( -0.2350628 0.3599543 0.4299089), wk = 0.0032362 k( 96) = ( -0.2274801 0.3483429 0.4160409), wk = 0.0032362 k( 97) = ( -0.2198975 0.3367315 0.4021728), wk = 0.0032362 k( 98) = ( -0.2123148 0.3251200 0.3883048), wk = 0.0032362 k( 99) = ( -0.2047321 0.3135086 0.3744368), wk = 0.0032362 k( 100) = ( -0.1971495 0.3018972 0.3605687), wk = 0.0032362 k( 101) = ( -0.1895668 0.2902857 0.3467007), wk = 0.0032362 k( 102) = ( -0.1819841 0.2786743 0.3328327), wk = 0.0032362 k( 103) = ( -0.1744014 0.2670629 0.3189647), wk = 0.0032362 k( 104) = ( -0.1668188 0.2554515 0.3050966), wk = 0.0032362 k( 105) = ( -0.1592361 0.2438400 0.2912286), wk = 0.0032362 k( 106) = ( -0.1516534 0.2322286 0.2773606), wk = 0.0032362 k( 107) = ( -0.1440708 0.2206172 0.2634925), wk = 0.0032362 k( 108) = ( -0.1364881 0.2090057 0.2496245), wk = 0.0032362 k( 109) = ( -0.1289054 0.1973943 0.2357565), wk = 0.0032362 k( 110) = ( -0.1213227 0.1857829 0.2218885), wk = 0.0032362 k( 111) = ( -0.1137401 0.1741715 0.2080204), wk = 0.0032362 k( 112) = ( -0.1061574 0.1625600 0.1941524), wk = 0.0032362 k( 113) = ( -0.0985747 0.1509486 0.1802844), wk = 0.0032362 k( 114) = ( -0.0909921 0.1393372 0.1664163), wk = 0.0032362 k( 115) = ( -0.0834094 0.1277257 0.1525483), wk = 0.0032362 k( 116) = ( -0.0758267 0.1161143 0.1386803), wk = 0.0032362 k( 117) = ( -0.0682440 0.1045029 0.1248123), wk = 0.0032362 k( 118) = ( -0.0606614 0.0928914 0.1109442), wk = 0.0032362 k( 119) = ( -0.0530787 0.0812800 0.0970762), wk = 0.0032362 k( 120) = ( -0.0454960 0.0696686 0.0832082), wk = 0.0032362 k( 121) = ( -0.0379134 0.0580572 0.0693401), wk = 0.0032362 k( 122) = ( -0.0303307 0.0464457 0.0554721), wk = 0.0032362 k( 123) = ( -0.0227480 0.0348343 0.0416041), wk = 0.0032362 k( 124) = ( -0.0151653 0.0232229 0.0277361), wk = 0.0032362 k( 125) = ( -0.0075827 0.0116114 0.0138680), wk = 0.0032362 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 128) = ( 0.0166667 0.0108839 -0.0000000), wk = 0.0032362 k( 129) = ( 0.0333333 0.0217678 -0.0000000), wk = 0.0032362 k( 130) = ( 0.0500000 0.0326518 -0.0000000), wk = 0.0032362 k( 131) = ( 0.0666667 0.0435357 -0.0000000), wk = 0.0032362 k( 132) = ( 0.0833333 0.0544196 -0.0000000), wk = 0.0032362 k( 133) = ( 0.1000000 0.0653035 -0.0000000), wk = 0.0032362 k( 134) = ( 0.1166667 0.0761874 -0.0000000), wk = 0.0032362 k( 135) = ( 0.1333333 0.0870713 -0.0000000), wk = 0.0032362 k( 136) = ( 0.1500000 0.0979553 -0.0000000), wk = 0.0032362 k( 137) = ( 0.1666667 0.1088392 -0.0000000), wk = 0.0032362 k( 138) = ( 0.1833333 0.1197231 -0.0000000), wk = 0.0032362 k( 139) = ( 0.2000000 0.1306070 -0.0000000), wk = 0.0032362 k( 140) = ( 0.2166667 0.1414909 -0.0000000), wk = 0.0032362 k( 141) = ( 0.2333333 0.1523749 -0.0000000), wk = 0.0032362 k( 142) = ( 0.2500000 0.1632588 -0.0000000), wk = 0.0032362 k( 143) = ( 0.2666667 0.1741427 -0.0000000), wk = 0.0032362 k( 144) = ( 0.2833333 0.1850266 -0.0000000), wk = 0.0032362 k( 145) = ( 0.3000000 0.1959105 -0.0000000), wk = 0.0032362 k( 146) = ( 0.3166667 0.2067944 -0.0000000), wk = 0.0032362 k( 147) = ( 0.3333333 0.2176784 -0.0000000), wk = 0.0032362 k( 148) = ( 0.3500000 0.2285623 -0.0000000), wk = 0.0032362 k( 149) = ( 0.3666667 0.2394462 -0.0000000), wk = 0.0032362 k( 150) = ( 0.3833333 0.2503301 -0.0000000), wk = 0.0032362 k( 151) = ( 0.4000000 0.2612140 -0.0000000), wk = 0.0032362 k( 152) = ( 0.4166667 0.2720980 -0.0000000), wk = 0.0032362 k( 153) = ( 0.4333333 0.2829819 -0.0000000), wk = 0.0032362 k( 154) = ( 0.4500000 0.2938658 -0.0000000), wk = 0.0032362 k( 155) = ( 0.4666667 0.3047497 -0.0000000), wk = 0.0032362 k( 156) = ( 0.4833333 0.3156336 -0.0000000), wk = 0.0032362 k( 157) = ( 0.5000000 0.3265175 -0.0000000), wk = 0.0032362 k( 158) = ( 0.5000000 0.3265175 -0.0000000), wk = 0.0032362 k( 159) = ( 0.4924349 0.3381021 0.0138359), wk = 0.0032362 k( 160) = ( 0.4848698 0.3496867 0.0276719), wk = 0.0032362 k( 161) = ( 0.4773046 0.3612712 0.0415078), wk = 0.0032362 k( 162) = ( 0.4697395 0.3728558 0.0553437), wk = 0.0032362 k( 163) = ( 0.4621744 0.3844403 0.0691796), wk = 0.0032362 k( 164) = ( 0.4546093 0.3960249 0.0830156), wk = 0.0032362 k( 165) = ( 0.4470441 0.4076094 0.0968515), wk = 0.0032362 k( 166) = ( 0.4394790 0.4191940 0.1106874), wk = 0.0032362 k( 167) = ( 0.4319139 0.4307785 0.1245234), wk = 0.0032362 k( 168) = ( 0.4243488 0.4423631 0.1383593), wk = 0.0032362 k( 169) = ( 0.4167837 0.4539477 0.1521952), wk = 0.0032362 k( 170) = ( 0.4092186 0.4655322 0.1660312), wk = 0.0032362 k( 171) = ( 0.4016534 0.4771168 0.1798671), wk = 0.0032362 k( 172) = ( 0.3940883 0.4887013 0.1937030), wk = 0.0032362 k( 173) = ( 0.3865232 0.5002859 0.2075389), wk = 0.0032362 k( 174) = ( 0.3789581 0.5118704 0.2213749), wk = 0.0032362 k( 175) = ( 0.3713929 0.5234550 0.2352108), wk = 0.0032362 k( 176) = ( 0.3638278 0.5350395 0.2490468), wk = 0.0032362 k( 177) = ( 0.3562627 0.5466241 0.2628827), wk = 0.0032362 k( 178) = ( 0.3486976 0.5582086 0.2767186), wk = 0.0032362 k( 179) = ( 0.3411325 0.5697932 0.2905545), wk = 0.0032362 k( 180) = ( 0.3335673 0.5813778 0.3043905), wk = 0.0032362 k( 181) = ( 0.3260022 0.5929623 0.3182264), wk = 0.0032362 k( 182) = ( 0.3184371 0.6045469 0.3320623), wk = 0.0032362 k( 183) = ( 0.3108720 0.6161314 0.3458983), wk = 0.0032362 k( 184) = ( 0.3033069 0.6277160 0.3597342), wk = 0.0032362 k( 185) = ( 0.3033069 0.6277160 0.3597342), wk = 0.0032362 k( 186) = ( 0.2854653 0.6229142 0.3654691), wk = 0.0032362 k( 187) = ( 0.2676237 0.6181125 0.3712040), wk = 0.0032362 k( 188) = ( 0.2497821 0.6133108 0.3769389), wk = 0.0032362 k( 189) = ( 0.2319405 0.6085091 0.3826738), wk = 0.0032362 k( 190) = ( 0.2140990 0.6037073 0.3884087), wk = 0.0032362 k( 191) = ( 0.1962574 0.5989056 0.3941437), wk = 0.0032362 k( 192) = ( 0.1784158 0.5941039 0.3998786), wk = 0.0032362 k( 193) = ( 0.1605742 0.5893022 0.4056135), wk = 0.0032362 k( 194) = ( 0.1427326 0.5845004 0.4113484), wk = 0.0032362 k( 195) = ( 0.1248911 0.5796987 0.4170833), wk = 0.0032362 k( 196) = ( 0.1070495 0.5748970 0.4228182), wk = 0.0032362 k( 197) = ( 0.0892079 0.5700952 0.4285531), wk = 0.0032362 k( 198) = ( 0.0713663 0.5652935 0.4342880), wk = 0.0032362 k( 199) = ( 0.0535247 0.5604918 0.4400229), wk = 0.0032362 k( 200) = ( 0.0356832 0.5556900 0.4457578), wk = 0.0032362 k( 201) = ( 0.0178416 0.5508883 0.4514928), wk = 0.0032362 k( 202) = ( 0.0000000 0.5460866 0.4572277), wk = 0.0032362 k( 203) = ( 0.0000000 0.5460866 0.4572277), wk = 0.0032362 k( 204) = ( 0.0075758 0.5344857 0.4710831), wk = 0.0032362 k( 205) = ( 0.0151515 0.5228849 0.4849384), wk = 0.0032362 k( 206) = ( 0.0227273 0.5112841 0.4987938), wk = 0.0032362 k( 207) = ( 0.0303030 0.4996832 0.5126492), wk = 0.0032362 k( 208) = ( 0.0378788 0.4880824 0.5265046), wk = 0.0032362 k( 209) = ( 0.0454546 0.4764815 0.5403600), wk = 0.0032362 k( 210) = ( 0.0530303 0.4648807 0.5542153), wk = 0.0032362 k( 211) = ( 0.0606061 0.4532798 0.5680707), wk = 0.0032362 k( 212) = ( 0.0681818 0.4416790 0.5819261), wk = 0.0032362 k( 213) = ( 0.0757576 0.4300782 0.5957815), wk = 0.0032362 k( 214) = ( 0.0833333 0.4184773 0.6096369), wk = 0.0032362 k( 215) = ( 0.0909091 0.4068765 0.6234923), wk = 0.0032362 k( 216) = ( 0.0984848 0.3952756 0.6373477), wk = 0.0032362 k( 217) = ( 0.1060606 0.3836748 0.6512030), wk = 0.0032362 k( 218) = ( 0.1136364 0.3720740 0.6650584), wk = 0.0032362 k( 219) = ( 0.1212121 0.3604731 0.6789138), wk = 0.0032362 k( 220) = ( 0.1287879 0.3488723 0.6927692), wk = 0.0032362 k( 221) = ( 0.1363636 0.3372714 0.7066246), wk = 0.0032362 k( 222) = ( 0.1439394 0.3256706 0.7204799), wk = 0.0032362 k( 223) = ( 0.1515151 0.3140697 0.7343353), wk = 0.0032362 k( 224) = ( 0.1590909 0.3024689 0.7481907), wk = 0.0032362 k( 225) = ( 0.1666667 0.2908680 0.7620461), wk = 0.0032362 k( 226) = ( 0.1742424 0.2792672 0.7759015), wk = 0.0032362 k( 227) = ( 0.1818182 0.2676664 0.7897569), wk = 0.0032362 k( 228) = ( 0.1893939 0.2560655 0.8036123), wk = 0.0032362 k( 229) = ( 0.1969697 0.2444647 0.8174676), wk = 0.0032362 k( 230) = ( 0.2045454 0.2328638 0.8313230), wk = 0.0032362 k( 231) = ( 0.2121212 0.2212630 0.8451784), wk = 0.0032362 k( 232) = ( 0.2196970 0.2096621 0.8590338), wk = 0.0032362 k( 233) = ( 0.2272727 0.1980613 0.8728892), wk = 0.0032362 k( 234) = ( 0.2348485 0.1864605 0.8867446), wk = 0.0032362 k( 235) = ( 0.2424242 0.1748596 0.9005999), wk = 0.0032362 k( 236) = ( 0.2500000 0.1632588 0.9144553), wk = 0.0032362 k( 237) = ( 0.2500000 0.1632588 0.9144553), wk = 0.0032362 k( 238) = ( 0.2638889 0.1723287 0.9036227), wk = 0.0032362 k( 239) = ( 0.2777778 0.1813986 0.8927901), wk = 0.0032362 k( 240) = ( 0.2916667 0.1904686 0.8819575), wk = 0.0032362 k( 241) = ( 0.3055556 0.1995385 0.8711249), wk = 0.0032362 k( 242) = ( 0.3194444 0.2086084 0.8602923), wk = 0.0032362 k( 243) = ( 0.3333333 0.2176784 0.8494597), wk = 0.0032362 k( 244) = ( 0.3472222 0.2267483 0.8386271), wk = 0.0032362 k( 245) = ( 0.3611111 0.2358182 0.8277945), wk = 0.0032362 k( 246) = ( 0.3750000 0.2448882 0.8169619), wk = 0.0032362 k( 247) = ( 0.3888889 0.2539581 0.8061292), wk = 0.0032362 k( 248) = ( 0.4027778 0.2630280 0.7952966), wk = 0.0032362 k( 249) = ( 0.4166667 0.2720980 0.7844640), wk = 0.0032362 k( 250) = ( 0.4305556 0.2811679 0.7736314), wk = 0.0032362 k( 251) = ( 0.4444444 0.2902378 0.7627988), wk = 0.0032362 k( 252) = ( 0.4583333 0.2993078 0.7519662), wk = 0.0032362 k( 253) = ( 0.4722222 0.3083777 0.7411336), wk = 0.0032362 k( 254) = ( 0.4861111 0.3174476 0.7303010), wk = 0.0032362 k( 255) = ( 0.5000000 0.3265175 0.7194684), wk = 0.0032362 k( 256) = ( 0.5000000 0.3265175 0.7194684), wk = 0.0032362 k( 257) = ( 0.5000000 0.3265175 0.7000233), wk = 0.0032362 k( 258) = ( 0.5000000 0.3265175 0.6805782), wk = 0.0032362 k( 259) = ( 0.5000000 0.3265175 0.6611331), wk = 0.0032362 k( 260) = ( 0.5000000 0.3265175 0.6416880), wk = 0.0032362 k( 261) = ( 0.5000000 0.3265175 0.6222429), wk = 0.0032362 k( 262) = ( 0.5000000 0.3265175 0.6027978), wk = 0.0032362 k( 263) = ( 0.5000000 0.3265175 0.5833527), wk = 0.0032362 k( 264) = ( 0.5000000 0.3265175 0.5639077), wk = 0.0032362 k( 265) = ( 0.5000000 0.3265175 0.5444626), wk = 0.0032362 k( 266) = ( 0.5000000 0.3265175 0.5250175), wk = 0.0032362 k( 267) = ( 0.5000000 0.3265175 0.5055724), wk = 0.0032362 k( 268) = ( 0.5000000 0.3265175 0.4861273), wk = 0.0032362 k( 269) = ( 0.5000000 0.3265175 0.4666822), wk = 0.0032362 k( 270) = ( 0.5000000 0.3265175 0.4472371), wk = 0.0032362 k( 271) = ( 0.5000000 0.3265175 0.4277920), wk = 0.0032362 k( 272) = ( 0.5000000 0.3265175 0.4083469), wk = 0.0032362 k( 273) = ( 0.5000000 0.3265175 0.3889018), wk = 0.0032362 k( 274) = ( 0.5000000 0.3265175 0.3694567), wk = 0.0032362 k( 275) = ( 0.5000000 0.3265175 0.3500116), wk = 0.0032362 k( 276) = ( 0.5000000 0.3265175 0.3305665), wk = 0.0032362 k( 277) = ( 0.5000000 0.3265175 0.3111215), wk = 0.0032362 k( 278) = ( 0.5000000 0.3265175 0.2916764), wk = 0.0032362 k( 279) = ( 0.5000000 0.3265175 0.2722313), wk = 0.0032362 k( 280) = ( 0.5000000 0.3265175 0.2527862), wk = 0.0032362 k( 281) = ( 0.5000000 0.3265175 0.2333411), wk = 0.0032362 k( 282) = ( 0.5000000 0.3265175 0.2138960), wk = 0.0032362 k( 283) = ( 0.5000000 0.3265175 0.1944509), wk = 0.0032362 k( 284) = ( 0.5000000 0.3265175 0.1750058), wk = 0.0032362 k( 285) = ( 0.5000000 0.3265175 0.1555607), wk = 0.0032362 k( 286) = ( 0.5000000 0.3265175 0.1361156), wk = 0.0032362 k( 287) = ( 0.5000000 0.3265175 0.1166705), wk = 0.0032362 k( 288) = ( 0.5000000 0.3265175 0.0972255), wk = 0.0032362 k( 289) = ( 0.5000000 0.3265175 0.0777804), wk = 0.0032362 k( 290) = ( 0.5000000 0.3265175 0.0583353), wk = 0.0032362 k( 291) = ( 0.5000000 0.3265175 0.0388902), wk = 0.0032362 k( 292) = ( 0.5000000 0.3265175 0.0194451), wk = 0.0032362 k( 293) = ( 0.5000000 0.3265175 -0.0000000), wk = 0.0032362 k( 294) = ( 0.0000000 0.0000000 0.9144553), wk = 0.0032362 k( 295) = ( 0.0166667 0.0108839 0.9144553), wk = 0.0032362 k( 296) = ( 0.0333333 0.0217678 0.9144553), wk = 0.0032362 k( 297) = ( 0.0500000 0.0326518 0.9144553), wk = 0.0032362 k( 298) = ( 0.0666667 0.0435357 0.9144553), wk = 0.0032362 k( 299) = ( 0.0833333 0.0544196 0.9144553), wk = 0.0032362 k( 300) = ( 0.1000000 0.0653035 0.9144553), wk = 0.0032362 k( 301) = ( 0.1166667 0.0761874 0.9144553), wk = 0.0032362 k( 302) = ( 0.1333333 0.0870713 0.9144553), wk = 0.0032362 k( 303) = ( 0.1500000 0.0979553 0.9144553), wk = 0.0032362 k( 304) = ( 0.1666667 0.1088392 0.9144553), wk = 0.0032362 k( 305) = ( 0.1833333 0.1197231 0.9144553), wk = 0.0032362 k( 306) = ( 0.2000000 0.1306070 0.9144553), wk = 0.0032362 k( 307) = ( 0.2166667 0.1414909 0.9144553), wk = 0.0032362 k( 308) = ( 0.2333333 0.1523749 0.9144553), wk = 0.0032362 k( 309) = ( 0.2500000 0.1632588 0.9144553), wk = 0.0032362 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 2) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0032362 k( 3) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032362 k( 4) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0032362 k( 5) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032362 k( 6) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0032362 k( 7) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032362 k( 8) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0032362 k( 9) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032362 k( 10) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0032362 k( 11) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0032362 k( 12) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0032362 k( 13) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032362 k( 14) = ( 0.0000000 0.0000000 0.1413044), wk = 0.0032362 k( 15) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032362 k( 16) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0032362 k( 17) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032362 k( 18) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0032362 k( 19) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032362 k( 20) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0032362 k( 21) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032362 k( 22) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0032362 k( 23) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032362 k( 24) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032362 k( 25) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032362 k( 26) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0032362 k( 27) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032362 k( 28) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0032362 k( 29) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032362 k( 30) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0032362 k( 31) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032362 k( 32) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0032362 k( 33) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032362 k( 34) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0032362 k( 35) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032362 k( 36) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0032362 k( 37) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0032362 k( 38) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0032362 k( 39) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032362 k( 40) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0032362 k( 41) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032362 k( 42) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0032362 k( 43) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032362 k( 44) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0032362 k( 45) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032362 k( 46) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0032362 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032362 k( 48) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032362 k( 49) = ( -0.0106614 0.0106614 0.5000000), wk = 0.0032362 k( 50) = ( -0.0213227 0.0213227 0.5000000), wk = 0.0032362 k( 51) = ( -0.0319841 0.0319841 0.5000000), wk = 0.0032362 k( 52) = ( -0.0426455 0.0426455 0.5000000), wk = 0.0032362 k( 53) = ( -0.0533069 0.0533069 0.5000000), wk = 0.0032362 k( 54) = ( -0.0639682 0.0639682 0.5000000), wk = 0.0032362 k( 55) = ( -0.0746296 0.0746296 0.5000000), wk = 0.0032362 k( 56) = ( -0.0852910 0.0852910 0.5000000), wk = 0.0032362 k( 57) = ( -0.0959523 0.0959523 0.5000000), wk = 0.0032362 k( 58) = ( -0.1066137 0.1066137 0.5000000), wk = 0.0032362 k( 59) = ( -0.1066137 0.1066137 0.5000000), wk = 0.0032362 k( 60) = ( -0.1141788 0.1141788 0.4924349), wk = 0.0032362 k( 61) = ( -0.1217440 0.1217440 0.4848698), wk = 0.0032362 k( 62) = ( -0.1293091 0.1293091 0.4773046), wk = 0.0032362 k( 63) = ( -0.1368742 0.1368742 0.4697395), wk = 0.0032362 k( 64) = ( -0.1444393 0.1444393 0.4621744), wk = 0.0032362 k( 65) = ( -0.1520044 0.1520044 0.4546093), wk = 0.0032362 k( 66) = ( -0.1595696 0.1595696 0.4470441), wk = 0.0032362 k( 67) = ( -0.1671347 0.1671347 0.4394790), wk = 0.0032362 k( 68) = ( -0.1746998 0.1746998 0.4319139), wk = 0.0032362 k( 69) = ( -0.1822649 0.1822649 0.4243488), wk = 0.0032362 k( 70) = ( -0.1898300 0.1898300 0.4167837), wk = 0.0032362 k( 71) = ( -0.1973952 0.1973952 0.4092186), wk = 0.0032362 k( 72) = ( -0.2049603 0.2049603 0.4016534), wk = 0.0032362 k( 73) = ( -0.2125254 0.2125254 0.3940883), wk = 0.0032362 k( 74) = ( -0.2200905 0.2200905 0.3865232), wk = 0.0032362 k( 75) = ( -0.2276556 0.2276556 0.3789581), wk = 0.0032362 k( 76) = ( -0.2352208 0.2352208 0.3713929), wk = 0.0032362 k( 77) = ( -0.2427859 0.2427859 0.3638278), wk = 0.0032362 k( 78) = ( -0.2503510 0.2503510 0.3562627), wk = 0.0032362 k( 79) = ( -0.2579161 0.2579161 0.3486976), wk = 0.0032362 k( 80) = ( -0.2654813 0.2654813 0.3411325), wk = 0.0032362 k( 81) = ( -0.2730464 0.2730464 0.3335673), wk = 0.0032362 k( 82) = ( -0.2806115 0.2806115 0.3260022), wk = 0.0032362 k( 83) = ( -0.2881766 0.2881766 0.3184371), wk = 0.0032362 k( 84) = ( -0.2957417 0.2957417 0.3108720), wk = 0.0032362 k( 85) = ( -0.3033069 0.3033069 0.3033069), wk = 0.0032362 k( 86) = ( -0.3033069 0.3033069 0.3033069), wk = 0.0032362 k( 87) = ( -0.2957242 0.2957242 0.2957242), wk = 0.0032362 k( 88) = ( -0.2881415 0.2881415 0.2881415), wk = 0.0032362 k( 89) = ( -0.2805588 0.2805588 0.2805588), wk = 0.0032362 k( 90) = ( -0.2729762 0.2729762 0.2729762), wk = 0.0032362 k( 91) = ( -0.2653935 0.2653935 0.2653935), wk = 0.0032362 k( 92) = ( -0.2578108 0.2578108 0.2578108), wk = 0.0032362 k( 93) = ( -0.2502282 0.2502282 0.2502282), wk = 0.0032362 k( 94) = ( -0.2426455 0.2426455 0.2426455), wk = 0.0032362 k( 95) = ( -0.2350628 0.2350628 0.2350628), wk = 0.0032362 k( 96) = ( -0.2274801 0.2274801 0.2274801), wk = 0.0032362 k( 97) = ( -0.2198975 0.2198975 0.2198975), wk = 0.0032362 k( 98) = ( -0.2123148 0.2123148 0.2123148), wk = 0.0032362 k( 99) = ( -0.2047321 0.2047321 0.2047321), wk = 0.0032362 k( 100) = ( -0.1971495 0.1971495 0.1971495), wk = 0.0032362 k( 101) = ( -0.1895668 0.1895668 0.1895668), wk = 0.0032362 k( 102) = ( -0.1819841 0.1819841 0.1819841), wk = 0.0032362 k( 103) = ( -0.1744014 0.1744014 0.1744014), wk = 0.0032362 k( 104) = ( -0.1668188 0.1668188 0.1668188), wk = 0.0032362 k( 105) = ( -0.1592361 0.1592361 0.1592361), wk = 0.0032362 k( 106) = ( -0.1516534 0.1516534 0.1516534), wk = 0.0032362 k( 107) = ( -0.1440708 0.1440708 0.1440708), wk = 0.0032362 k( 108) = ( -0.1364881 0.1364881 0.1364881), wk = 0.0032362 k( 109) = ( -0.1289054 0.1289054 0.1289054), wk = 0.0032362 k( 110) = ( -0.1213227 0.1213227 0.1213227), wk = 0.0032362 k( 111) = ( -0.1137401 0.1137401 0.1137401), wk = 0.0032362 k( 112) = ( -0.1061574 0.1061574 0.1061574), wk = 0.0032362 k( 113) = ( -0.0985747 0.0985747 0.0985747), wk = 0.0032362 k( 114) = ( -0.0909921 0.0909921 0.0909921), wk = 0.0032362 k( 115) = ( -0.0834094 0.0834094 0.0834094), wk = 0.0032362 k( 116) = ( -0.0758267 0.0758267 0.0758267), wk = 0.0032362 k( 117) = ( -0.0682440 0.0682440 0.0682440), wk = 0.0032362 k( 118) = ( -0.0606614 0.0606614 0.0606614), wk = 0.0032362 k( 119) = ( -0.0530787 0.0530787 0.0530787), wk = 0.0032362 k( 120) = ( -0.0454960 0.0454960 0.0454960), wk = 0.0032362 k( 121) = ( -0.0379134 0.0379134 0.0379134), wk = 0.0032362 k( 122) = ( -0.0303307 0.0303307 0.0303307), wk = 0.0032362 k( 123) = ( -0.0227480 0.0227480 0.0227480), wk = 0.0032362 k( 124) = ( -0.0151653 0.0151653 0.0151653), wk = 0.0032362 k( 125) = ( -0.0075827 0.0075827 0.0075827), wk = 0.0032362 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032362 k( 128) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0032362 k( 129) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0032362 k( 130) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0032362 k( 131) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0032362 k( 132) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0032362 k( 133) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0032362 k( 134) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0032362 k( 135) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0032362 k( 136) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0032362 k( 137) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0032362 k( 138) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0032362 k( 139) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0032362 k( 140) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0032362 k( 141) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0032362 k( 142) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0032362 k( 143) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0032362 k( 144) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0032362 k( 145) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0032362 k( 146) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0032362 k( 147) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0032362 k( 148) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0032362 k( 149) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0032362 k( 150) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0032362 k( 151) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0032362 k( 152) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0032362 k( 153) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0032362 k( 154) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0032362 k( 155) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0032362 k( 156) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0032362 k( 157) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032362 k( 158) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032362 k( 159) = ( 0.4924349 0.5075651 -0.4924349), wk = 0.0032362 k( 160) = ( 0.4848698 0.5151302 -0.4848698), wk = 0.0032362 k( 161) = ( 0.4773046 0.5226954 -0.4773046), wk = 0.0032362 k( 162) = ( 0.4697395 0.5302605 -0.4697395), wk = 0.0032362 k( 163) = ( 0.4621744 0.5378256 -0.4621744), wk = 0.0032362 k( 164) = ( 0.4546093 0.5453907 -0.4546093), wk = 0.0032362 k( 165) = ( 0.4470441 0.5529558 -0.4470441), wk = 0.0032362 k( 166) = ( 0.4394790 0.5605210 -0.4394790), wk = 0.0032362 k( 167) = ( 0.4319139 0.5680861 -0.4319139), wk = 0.0032362 k( 168) = ( 0.4243488 0.5756512 -0.4243488), wk = 0.0032362 k( 169) = ( 0.4167837 0.5832163 -0.4167837), wk = 0.0032362 k( 170) = ( 0.4092186 0.5907814 -0.4092185), wk = 0.0032362 k( 171) = ( 0.4016534 0.5983466 -0.4016534), wk = 0.0032362 k( 172) = ( 0.3940883 0.6059117 -0.3940883), wk = 0.0032362 k( 173) = ( 0.3865232 0.6134768 -0.3865232), wk = 0.0032362 k( 174) = ( 0.3789581 0.6210419 -0.3789581), wk = 0.0032362 k( 175) = ( 0.3713929 0.6286071 -0.3713929), wk = 0.0032362 k( 176) = ( 0.3638278 0.6361722 -0.3638278), wk = 0.0032362 k( 177) = ( 0.3562627 0.6437373 -0.3562627), wk = 0.0032362 k( 178) = ( 0.3486976 0.6513024 -0.3486976), wk = 0.0032362 k( 179) = ( 0.3411325 0.6588675 -0.3411325), wk = 0.0032362 k( 180) = ( 0.3335673 0.6664327 -0.3335673), wk = 0.0032362 k( 181) = ( 0.3260022 0.6739978 -0.3260022), wk = 0.0032362 k( 182) = ( 0.3184371 0.6815629 -0.3184371), wk = 0.0032362 k( 183) = ( 0.3108720 0.6891280 -0.3108720), wk = 0.0032362 k( 184) = ( 0.3033069 0.6966931 -0.3033069), wk = 0.0032362 k( 185) = ( 0.3033069 0.6966931 -0.3033069), wk = 0.0032362 k( 186) = ( 0.2854653 0.6851230 -0.2854653), wk = 0.0032362 k( 187) = ( 0.2676237 0.6735528 -0.2676237), wk = 0.0032362 k( 188) = ( 0.2497821 0.6619826 -0.2497821), wk = 0.0032362 k( 189) = ( 0.2319405 0.6504124 -0.2319405), wk = 0.0032362 k( 190) = ( 0.2140990 0.6388422 -0.2140990), wk = 0.0032362 k( 191) = ( 0.1962574 0.6272720 -0.1962574), wk = 0.0032362 k( 192) = ( 0.1784158 0.6157018 -0.1784158), wk = 0.0032362 k( 193) = ( 0.1605742 0.6041317 -0.1605742), wk = 0.0032362 k( 194) = ( 0.1427326 0.5925615 -0.1427326), wk = 0.0032362 k( 195) = ( 0.1248911 0.5809913 -0.1248911), wk = 0.0032362 k( 196) = ( 0.1070495 0.5694211 -0.1070495), wk = 0.0032362 k( 197) = ( 0.0892079 0.5578509 -0.0892079), wk = 0.0032362 k( 198) = ( 0.0713663 0.5462807 -0.0713663), wk = 0.0032362 k( 199) = ( 0.0535247 0.5347106 -0.0535247), wk = 0.0032362 k( 200) = ( 0.0356832 0.5231404 -0.0356832), wk = 0.0032362 k( 201) = ( 0.0178416 0.5115702 -0.0178416), wk = 0.0032362 k( 202) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 203) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032362 k( 204) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0032362 k( 205) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0032362 k( 206) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0032362 k( 207) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0032362 k( 208) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0032362 k( 209) = ( 0.0454546 0.4545454 0.0454546), wk = 0.0032362 k( 210) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0032362 k( 211) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0032362 k( 212) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0032362 k( 213) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0032362 k( 214) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0032362 k( 215) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0032362 k( 216) = ( 0.0984848 0.4015151 0.0984849), wk = 0.0032362 k( 217) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0032362 k( 218) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0032362 k( 219) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0032362 k( 220) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0032362 k( 221) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0032362 k( 222) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0032362 k( 223) = ( 0.1515151 0.3484849 0.1515151), wk = 0.0032362 k( 224) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0032362 k( 225) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0032362 k( 226) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0032362 k( 227) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0032362 k( 228) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0032362 k( 229) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0032362 k( 230) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0032362 k( 231) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0032362 k( 232) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0032362 k( 233) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0032362 k( 234) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0032362 k( 235) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0032362 k( 236) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032362 k( 237) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032362 k( 238) = ( 0.2638889 0.2638889 0.2301881), wk = 0.0032362 k( 239) = ( 0.2777778 0.2777778 0.2103763), wk = 0.0032362 k( 240) = ( 0.2916667 0.2916667 0.1905644), wk = 0.0032362 k( 241) = ( 0.3055556 0.3055556 0.1707525), wk = 0.0032362 k( 242) = ( 0.3194444 0.3194444 0.1509406), wk = 0.0032362 k( 243) = ( 0.3333333 0.3333333 0.1311288), wk = 0.0032362 k( 244) = ( 0.3472222 0.3472222 0.1113169), wk = 0.0032362 k( 245) = ( 0.3611111 0.3611111 0.0915050), wk = 0.0032362 k( 246) = ( 0.3750000 0.3750000 0.0716932), wk = 0.0032362 k( 247) = ( 0.3888889 0.3888889 0.0518813), wk = 0.0032362 k( 248) = ( 0.4027778 0.4027778 0.0320694), wk = 0.0032362 k( 249) = ( 0.4166667 0.4166667 0.0122575), wk = 0.0032362 k( 250) = ( 0.4305556 0.4305556 -0.0075544), wk = 0.0032362 k( 251) = ( 0.4444444 0.4444444 -0.0273662), wk = 0.0032362 k( 252) = ( 0.4583333 0.4583333 -0.0471781), wk = 0.0032362 k( 253) = ( 0.4722222 0.4722222 -0.0669900), wk = 0.0032362 k( 254) = ( 0.4861111 0.4861111 -0.0868018), wk = 0.0032362 k( 255) = ( 0.5000000 0.5000000 -0.1066137), wk = 0.0032362 k( 256) = ( 0.5000000 0.5000000 -0.1066137), wk = 0.0032362 k( 257) = ( 0.5000000 0.5000000 -0.1172458), wk = 0.0032362 k( 258) = ( 0.5000000 0.5000000 -0.1278778), wk = 0.0032362 k( 259) = ( 0.5000000 0.5000000 -0.1385099), wk = 0.0032362 k( 260) = ( 0.5000000 0.5000000 -0.1491420), wk = 0.0032362 k( 261) = ( 0.5000000 0.5000000 -0.1597740), wk = 0.0032362 k( 262) = ( 0.5000000 0.5000000 -0.1704061), wk = 0.0032362 k( 263) = ( 0.5000000 0.5000000 -0.1810381), wk = 0.0032362 k( 264) = ( 0.5000000 0.5000000 -0.1916702), wk = 0.0032362 k( 265) = ( 0.5000000 0.5000000 -0.2023023), wk = 0.0032362 k( 266) = ( 0.5000000 0.5000000 -0.2129343), wk = 0.0032362 k( 267) = ( 0.5000000 0.5000000 -0.2235664), wk = 0.0032362 k( 268) = ( 0.5000000 0.5000000 -0.2341984), wk = 0.0032362 k( 269) = ( 0.5000000 0.5000000 -0.2448305), wk = 0.0032362 k( 270) = ( 0.5000000 0.5000000 -0.2554626), wk = 0.0032362 k( 271) = ( 0.5000000 0.5000000 -0.2660946), wk = 0.0032362 k( 272) = ( 0.5000000 0.5000000 -0.2767267), wk = 0.0032362 k( 273) = ( 0.5000000 0.5000000 -0.2873588), wk = 0.0032362 k( 274) = ( 0.5000000 0.5000000 -0.2979908), wk = 0.0032362 k( 275) = ( 0.5000000 0.5000000 -0.3086229), wk = 0.0032362 k( 276) = ( 0.5000000 0.5000000 -0.3192549), wk = 0.0032362 k( 277) = ( 0.5000000 0.5000000 -0.3298870), wk = 0.0032362 k( 278) = ( 0.5000000 0.5000000 -0.3405191), wk = 0.0032362 k( 279) = ( 0.5000000 0.5000000 -0.3511511), wk = 0.0032362 k( 280) = ( 0.5000000 0.5000000 -0.3617832), wk = 0.0032362 k( 281) = ( 0.5000000 0.5000000 -0.3724153), wk = 0.0032362 k( 282) = ( 0.5000000 0.5000000 -0.3830473), wk = 0.0032362 k( 283) = ( 0.5000000 0.5000000 -0.3936794), wk = 0.0032362 k( 284) = ( 0.5000000 0.5000000 -0.4043114), wk = 0.0032362 k( 285) = ( 0.5000000 0.5000000 -0.4149435), wk = 0.0032362 k( 286) = ( 0.5000000 0.5000000 -0.4255756), wk = 0.0032362 k( 287) = ( 0.5000000 0.5000000 -0.4362076), wk = 0.0032362 k( 288) = ( 0.5000000 0.5000000 -0.4468397), wk = 0.0032362 k( 289) = ( 0.5000000 0.5000000 -0.4574717), wk = 0.0032362 k( 290) = ( 0.5000000 0.5000000 -0.4681038), wk = 0.0032362 k( 291) = ( 0.5000000 0.5000000 -0.4787359), wk = 0.0032362 k( 292) = ( 0.5000000 0.5000000 -0.4893679), wk = 0.0032362 k( 293) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032362 k( 294) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032362 k( 295) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0032362 k( 296) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0032362 k( 297) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0032362 k( 298) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0032362 k( 299) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0032362 k( 300) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0032362 k( 301) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0032362 k( 302) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0032362 k( 303) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0032362 k( 304) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0032362 k( 305) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0032362 k( 306) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0032362 k( 307) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0032362 k( 308) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0032362 k( 309) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032362 Dense grid: 60967 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 37363 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 258, 40) NL pseudopotentials 0.19 Mb ( 129, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1694) G-vector shells 0.01 Mb ( 765) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 258, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./HfGe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.7 secs Computing kpt #: 15 total cpu time spent up to now is 8.1 secs Computing kpt #: 16 total cpu time spent up to now is 8.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.0 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.3 secs Computing kpt #: 26 total cpu time spent up to now is 12.8 secs Computing kpt #: 27 total cpu time spent up to now is 13.3 secs Computing kpt #: 28 total cpu time spent up to now is 13.7 secs Computing kpt #: 29 total cpu time spent up to now is 14.2 secs Computing kpt #: 30 total cpu time spent up to now is 14.6 secs Computing kpt #: 31 total cpu time spent up to now is 15.1 secs Computing kpt #: 32 total cpu time spent up to now is 15.5 secs Computing kpt #: 33 total cpu time spent up to now is 16.0 secs Computing kpt #: 34 total cpu time spent up to now is 16.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.9 secs Computing kpt #: 36 total cpu time spent up to now is 17.4 secs Computing kpt #: 37 total cpu time spent up to now is 17.9 secs Computing kpt #: 38 total cpu time spent up to now is 18.5 secs Computing kpt #: 39 total cpu time spent up to now is 19.1 secs Computing kpt #: 40 total cpu time spent up to now is 19.6 secs Computing kpt #: 41 total cpu time spent up to now is 20.1 secs Computing kpt #: 42 total cpu time spent up to now is 20.5 secs Computing kpt #: 43 total cpu time spent up to now is 21.0 secs Computing kpt #: 44 total cpu time spent up to now is 21.4 secs Computing kpt #: 45 total cpu time spent up to now is 21.9 secs Computing kpt #: 46 total cpu time spent up to now is 22.4 secs Computing kpt #: 47 total cpu time spent up to now is 22.8 secs Computing kpt #: 48 total cpu time spent up to now is 23.3 secs Computing kpt #: 49 total cpu time spent up to now is 23.7 secs Computing kpt #: 50 total cpu time spent up to now is 24.2 secs Computing kpt #: 51 total cpu time spent up to now is 24.7 secs Computing kpt #: 52 total cpu time spent up to now is 25.1 secs Computing kpt #: 53 total cpu time spent up to now is 25.6 secs Computing kpt #: 54 total cpu time spent up to now is 26.0 secs Computing kpt #: 55 total cpu time spent up to now is 26.6 secs Computing kpt #: 56 total cpu time spent up to now is 27.1 secs Computing kpt #: 57 total cpu time spent up to now is 27.6 secs Computing kpt #: 58 total cpu time spent up to now is 28.1 secs Computing kpt #: 59 total cpu time spent up to now is 28.6 secs Computing kpt #: 60 total cpu time spent up to now is 29.2 secs Computing kpt #: 61 total cpu time spent up to now is 29.6 secs Computing kpt #: 62 total cpu time spent up to now is 30.2 secs Computing kpt #: 63 total cpu time spent up to now is 30.7 secs Computing kpt #: 64 total cpu time spent up to now is 31.2 secs Computing kpt #: 65 total cpu time spent up to now is 31.8 secs Computing kpt #: 66 total cpu time spent up to now is 32.5 secs Computing kpt #: 67 total cpu time spent up to now is 33.1 secs Computing kpt #: 68 total cpu time spent up to now is 33.6 secs Computing kpt #: 69 total cpu time spent up to now is 34.0 secs Computing kpt #: 70 total cpu time spent up to now is 34.5 secs Computing kpt #: 71 total cpu time spent up to now is 35.0 secs Computing kpt #: 72 total cpu time spent up to now is 35.4 secs Computing kpt #: 73 total cpu time spent up to now is 35.9 secs Computing kpt #: 74 total cpu time spent up to now is 36.3 secs Computing kpt #: 75 total cpu time spent up to now is 36.8 secs Computing kpt #: 76 total cpu time spent up to now is 37.2 secs Computing kpt #: 77 total cpu time spent up to now is 37.7 secs Computing kpt #: 78 total cpu time spent up to now is 38.1 secs Computing kpt #: 79 total cpu time spent up to now is 38.6 secs Computing kpt #: 80 total cpu time spent up to now is 39.0 secs Computing kpt #: 81 total cpu time spent up to now is 39.5 secs Computing kpt #: 82 total cpu time spent up to now is 40.0 secs Computing kpt #: 83 total cpu time spent up to now is 40.4 secs Computing kpt #: 84 total cpu time spent up to now is 40.8 secs Computing kpt #: 85 total cpu time spent up to now is 41.3 secs Computing kpt #: 86 total cpu time spent up to now is 41.7 secs Computing kpt #: 87 total cpu time spent up to now is 42.2 secs Computing kpt #: 88 total cpu time spent up to now is 42.6 secs Computing kpt #: 89 total cpu time spent up to now is 43.1 secs Computing kpt #: 90 total cpu time spent up to now is 43.5 secs Computing kpt #: 91 total cpu time spent up to now is 43.9 secs Computing kpt #: 92 total cpu time spent up to now is 44.4 secs Computing kpt #: 93 total cpu time spent up to now is 44.8 secs Computing kpt #: 94 total cpu time spent up to now is 45.2 secs Computing kpt #: 95 total cpu time spent up to now is 45.7 secs Computing kpt #: 96 total cpu time spent up to now is 46.1 secs Computing kpt #: 97 total cpu time spent up to now is 46.5 secs Computing kpt #: 98 total cpu time spent up to now is 46.9 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 47.8 secs Computing kpt #: 101 total cpu time spent up to now is 48.2 secs Computing kpt #: 102 total cpu time spent up to now is 48.6 secs Computing kpt #: 103 total cpu time spent up to now is 49.0 secs Computing kpt #: 104 total cpu time spent up to now is 49.5 secs Computing kpt #: 105 total cpu time spent up to now is 49.9 secs Computing kpt #: 106 total cpu time spent up to now is 50.3 secs Computing kpt #: 107 total cpu time spent up to now is 50.8 secs Computing kpt #: 108 total cpu time spent up to now is 51.2 secs Computing kpt #: 109 total cpu time spent up to now is 51.7 secs Computing kpt #: 110 total cpu time spent up to now is 52.1 secs Computing kpt #: 111 total cpu time spent up to now is 52.6 secs Computing kpt #: 112 total cpu time spent up to now is 53.0 secs Computing kpt #: 113 total cpu time spent up to now is 53.4 secs Computing kpt #: 114 total cpu time spent up to now is 53.9 secs Computing kpt #: 115 total cpu time spent up to now is 54.3 secs Computing kpt #: 116 total cpu time spent up to now is 54.7 secs Computing kpt #: 117 total cpu time spent up to now is 55.1 secs Computing kpt #: 118 total cpu time spent up to now is 55.5 secs Computing kpt #: 119 total cpu time spent up to now is 56.0 secs Computing kpt #: 120 total cpu time spent up to now is 56.4 secs Computing kpt #: 121 total cpu time spent up to now is 56.8 secs Computing kpt #: 122 total cpu time spent up to now is 57.2 secs Computing kpt #: 123 total cpu time spent up to now is 57.6 secs Computing kpt #: 124 total cpu time spent up to now is 58.0 secs Computing kpt #: 125 total cpu time spent up to now is 58.4 secs Computing kpt #: 126 total cpu time spent up to now is 58.9 secs Computing kpt #: 127 total cpu time spent up to now is 59.3 secs Computing kpt #: 128 total cpu time spent up to now is 59.7 secs Computing kpt #: 129 total cpu time spent up to now is 60.1 secs Computing kpt #: 130 total cpu time spent up to now is 60.5 secs Computing kpt #: 131 total cpu time spent up to now is 60.9 secs Computing kpt #: 132 total cpu time spent up to now is 61.3 secs Computing kpt #: 133 total cpu time spent up to now is 61.7 secs Computing kpt #: 134 total cpu time spent up to now is 62.1 secs Computing kpt #: 135 total cpu time spent up to now is 62.5 secs Computing kpt #: 136 total cpu time spent up to now is 62.9 secs Computing kpt #: 137 total cpu time spent up to now is 63.3 secs Computing kpt #: 138 total cpu time spent up to now is 63.7 secs Computing kpt #: 139 total cpu time spent up to now is 64.1 secs Computing kpt #: 140 total cpu time spent up to now is 64.5 secs Computing kpt #: 141 total cpu time spent up to now is 64.9 secs Computing kpt #: 142 total cpu time spent up to now is 65.3 secs Computing kpt #: 143 total cpu time spent up to now is 65.7 secs Computing kpt #: 144 total cpu time spent up to now is 66.1 secs Computing kpt #: 145 total cpu time spent up to now is 66.6 secs Computing kpt #: 146 total cpu time spent up to now is 67.0 secs Computing kpt #: 147 total cpu time spent up to now is 67.4 secs Computing kpt #: 148 total cpu time spent up to now is 67.9 secs Computing kpt #: 149 total cpu time spent up to now is 68.3 secs Computing kpt #: 150 total cpu time spent up to now is 68.8 secs Computing kpt #: 151 total cpu time spent up to now is 69.2 secs Computing kpt #: 152 total cpu time spent up to now is 69.7 secs Computing kpt #: 153 total cpu time spent up to now is 70.1 secs Computing kpt #: 154 total cpu time spent up to now is 70.6 secs Computing kpt #: 155 total cpu time spent up to now is 71.0 secs Computing kpt #: 156 total cpu time spent up to now is 71.4 secs Computing kpt #: 157 total cpu time spent up to now is 71.9 secs Computing kpt #: 158 total cpu time spent up to now is 72.3 secs Computing kpt #: 159 total cpu time spent up to now is 72.7 secs Computing kpt #: 160 total cpu time spent up to now is 73.1 secs Computing kpt #: 161 total cpu time spent up to now is 73.5 secs Computing kpt #: 162 total cpu time spent up to now is 74.0 secs Computing kpt #: 163 total cpu time spent up to now is 74.4 secs Computing kpt #: 164 total cpu time spent up to now is 74.8 secs Computing kpt #: 165 total cpu time spent up to now is 75.3 secs Computing kpt #: 166 total cpu time spent up to now is 75.7 secs Computing kpt #: 167 total cpu time spent up to now is 76.2 secs Computing kpt #: 168 total cpu time spent up to now is 76.7 secs Computing kpt #: 169 total cpu time spent up to now is 77.2 secs Computing kpt #: 170 total cpu time spent up to now is 77.7 secs Computing kpt #: 171 total cpu time spent up to now is 78.3 secs Computing kpt #: 172 total cpu time spent up to now is 78.8 secs Computing kpt #: 173 total cpu time spent up to now is 79.4 secs Computing kpt #: 174 total cpu time spent up to now is 79.9 secs Computing kpt #: 175 total cpu time spent up to now is 80.4 secs Computing kpt #: 176 total cpu time spent up to now is 80.8 secs Computing kpt #: 177 total cpu time spent up to now is 81.3 secs Computing kpt #: 178 total cpu time spent up to now is 81.7 secs Computing kpt #: 179 total cpu time spent up to now is 82.2 secs Computing kpt #: 180 total cpu time spent up to now is 82.7 secs Computing kpt #: 181 total cpu time spent up to now is 83.1 secs Computing kpt #: 182 total cpu time spent up to now is 83.6 secs Computing kpt #: 183 total cpu time spent up to now is 84.0 secs Computing kpt #: 184 total cpu time spent up to now is 84.5 secs Computing kpt #: 185 total cpu time spent up to now is 84.9 secs Computing kpt #: 186 total cpu time spent up to now is 85.4 secs Computing kpt #: 187 total cpu time spent up to now is 85.8 secs Computing kpt #: 188 total cpu time spent up to now is 86.3 secs Computing kpt #: 189 total cpu time spent up to now is 86.7 secs Computing kpt #: 190 total cpu time spent up to now is 87.2 secs Computing kpt #: 191 total cpu time spent up to now is 87.6 secs Computing kpt #: 192 total cpu time spent up to now is 88.1 secs Computing kpt #: 193 total cpu time spent up to now is 88.5 secs Computing kpt #: 194 total cpu time spent up to now is 89.0 secs Computing kpt #: 195 total cpu time spent up to now is 89.4 secs Computing kpt #: 196 total cpu time spent up to now is 89.9 secs Computing kpt #: 197 total cpu time spent up to now is 90.4 secs Computing kpt #: 198 total cpu time spent up to now is 90.8 secs Computing kpt #: 199 total cpu time spent up to now is 91.3 secs Computing kpt #: 200 total cpu time spent up to now is 91.7 secs Computing kpt #: 201 total cpu time spent up to now is 92.2 secs Computing kpt #: 202 total cpu time spent up to now is 92.6 secs Computing kpt #: 203 total cpu time spent up to now is 93.1 secs Computing kpt #: 204 total cpu time spent up to now is 93.6 secs Computing kpt #: 205 total cpu time spent up to now is 94.0 secs Computing kpt #: 206 total cpu time spent up to now is 94.5 secs Computing kpt #: 207 total cpu time spent up to now is 94.9 secs Computing kpt #: 208 total cpu time spent up to now is 95.3 secs Computing kpt #: 209 total cpu time spent up to now is 95.8 secs Computing kpt #: 210 total cpu time spent up to now is 96.2 secs Computing kpt #: 211 total cpu time spent up to now is 96.7 secs Computing kpt #: 212 total cpu time spent up to now is 97.1 secs Computing kpt #: 213 total cpu time spent up to now is 97.6 secs Computing kpt #: 214 total cpu time spent up to now is 98.0 secs Computing kpt #: 215 total cpu time spent up to now is 98.4 secs Computing kpt #: 216 total cpu time spent up to now is 98.9 secs Computing kpt #: 217 total cpu time spent up to now is 99.3 secs Computing kpt #: 218 total cpu time spent up to now is 99.8 secs Computing kpt #: 219 total cpu time spent up to now is 100.2 secs Computing kpt #: 220 total cpu time spent up to now is 100.7 secs Computing kpt #: 221 total cpu time spent up to now is 101.1 secs Computing kpt #: 222 total cpu time spent up to now is 101.6 secs Computing kpt #: 223 total cpu time spent up to now is 102.0 secs Computing kpt #: 224 total cpu time spent up to now is 102.4 secs Computing kpt #: 225 total cpu time spent up to now is 102.9 secs Computing kpt #: 226 total cpu time spent up to now is 103.3 secs Computing kpt #: 227 total cpu time spent up to now is 103.8 secs Computing kpt #: 228 total cpu time spent up to now is 104.2 secs Computing kpt #: 229 total cpu time spent up to now is 104.8 secs Computing kpt #: 230 total cpu time spent up to now is 105.3 secs Computing kpt #: 231 total cpu time spent up to now is 105.7 secs Computing kpt #: 232 total cpu time spent up to now is 106.2 secs Computing kpt #: 233 total cpu time spent up to now is 106.6 secs Computing kpt #: 234 total cpu time spent up to now is 107.1 secs Computing kpt #: 235 total cpu time spent up to now is 107.5 secs Computing kpt #: 236 total cpu time spent up to now is 108.0 secs Computing kpt #: 237 total cpu time spent up to now is 108.5 secs Computing kpt #: 238 total cpu time spent up to now is 108.9 secs Computing kpt #: 239 total cpu time spent up to now is 109.3 secs Computing kpt #: 240 total cpu time spent up to now is 109.8 secs Computing kpt #: 241 total cpu time spent up to now is 110.2 secs Computing kpt #: 242 total cpu time spent up to now is 110.7 secs Computing kpt #: 243 total cpu time spent up to now is 111.2 secs Computing kpt #: 244 total cpu time spent up to now is 111.6 secs Computing kpt #: 245 total cpu time spent up to now is 112.1 secs Computing kpt #: 246 total cpu time spent up to now is 112.5 secs Computing kpt #: 247 total cpu time spent up to now is 113.1 secs Computing kpt #: 248 total cpu time spent up to now is 113.7 secs Computing kpt #: 249 total cpu time spent up to now is 114.2 secs Computing kpt #: 250 total cpu time spent up to now is 114.7 secs Computing kpt #: 251 total cpu time spent up to now is 115.2 secs Computing kpt #: 252 total cpu time spent up to now is 115.8 secs Computing kpt #: 253 total cpu time spent up to now is 116.3 secs Computing kpt #: 254 total cpu time spent up to now is 116.8 secs Computing kpt #: 255 total cpu time spent up to now is 117.3 secs Computing kpt #: 256 total cpu time spent up to now is 117.8 secs Computing kpt #: 257 total cpu time spent up to now is 118.3 secs Computing kpt #: 258 total cpu time spent up to now is 118.8 secs Computing kpt #: 259 total cpu time spent up to now is 119.2 secs Computing kpt #: 260 total cpu time spent up to now is 119.7 secs Computing kpt #: 261 total cpu time spent up to now is 120.3 secs Computing kpt #: 262 total cpu time spent up to now is 120.7 secs Computing kpt #: 263 total cpu time spent up to now is 121.2 secs Computing kpt #: 264 total cpu time spent up to now is 121.7 secs Computing kpt #: 265 total cpu time spent up to now is 122.1 secs Computing kpt #: 266 total cpu time spent up to now is 122.6 secs Computing kpt #: 267 total cpu time spent up to now is 123.0 secs Computing kpt #: 268 total cpu time spent up to now is 123.5 secs Computing kpt #: 269 total cpu time spent up to now is 123.9 secs Computing kpt #: 270 total cpu time spent up to now is 124.4 secs Computing kpt #: 271 total cpu time spent up to now is 124.8 secs Computing kpt #: 272 total cpu time spent up to now is 125.3 secs Computing kpt #: 273 total cpu time spent up to now is 125.7 secs Computing kpt #: 274 total cpu time spent up to now is 126.1 secs Computing kpt #: 275 total cpu time spent up to now is 126.6 secs Computing kpt #: 276 total cpu time spent up to now is 127.0 secs Computing kpt #: 277 total cpu time spent up to now is 127.4 secs Computing kpt #: 278 total cpu time spent up to now is 127.9 secs Computing kpt #: 279 total cpu time spent up to now is 128.3 secs Computing kpt #: 280 total cpu time spent up to now is 128.7 secs Computing kpt #: 281 total cpu time spent up to now is 129.2 secs Computing kpt #: 282 total cpu time spent up to now is 129.6 secs Computing kpt #: 283 total cpu time spent up to now is 130.0 secs Computing kpt #: 284 total cpu time spent up to now is 130.4 secs Computing kpt #: 285 total cpu time spent up to now is 130.9 secs Computing kpt #: 286 total cpu time spent up to now is 131.3 secs Computing kpt #: 287 total cpu time spent up to now is 131.7 secs Computing kpt #: 288 total cpu time spent up to now is 132.1 secs Computing kpt #: 289 total cpu time spent up to now is 132.6 secs Computing kpt #: 290 total cpu time spent up to now is 133.0 secs Computing kpt #: 291 total cpu time spent up to now is 133.4 secs Computing kpt #: 292 total cpu time spent up to now is 133.8 secs Computing kpt #: 293 total cpu time spent up to now is 134.2 secs Computing kpt #: 294 total cpu time spent up to now is 134.7 secs Computing kpt #: 295 total cpu time spent up to now is 135.2 secs Computing kpt #: 296 total cpu time spent up to now is 135.6 secs Computing kpt #: 297 total cpu time spent up to now is 136.1 secs Computing kpt #: 298 total cpu time spent up to now is 136.6 secs Computing kpt #: 299 total cpu time spent up to now is 137.0 secs Computing kpt #: 300 total cpu time spent up to now is 137.5 secs Computing kpt #: 301 total cpu time spent up to now is 138.0 secs Computing kpt #: 302 total cpu time spent up to now is 138.4 secs Computing kpt #: 303 total cpu time spent up to now is 138.9 secs Computing kpt #: 304 total cpu time spent up to now is 139.4 secs Computing kpt #: 305 total cpu time spent up to now is 139.8 secs Computing kpt #: 306 total cpu time spent up to now is 140.2 secs Computing kpt #: 307 total cpu time spent up to now is 140.7 secs Computing kpt #: 308 total cpu time spent up to now is 141.2 secs Computing kpt #: 309 total cpu time spent up to now is 141.6 secs ethr = 3.13E-08, avg # of iterations = 16.9 total cpu time spent up to now is 141.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4653 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9593 -30.9593 -30.9272 -30.9272 -23.1846 -23.1846 -23.1413 -23.1413 -23.1291 -23.1291 -23.0218 -23.0218 -2.3555 -2.3555 0.2645 0.2645 4.7040 4.7040 5.5988 5.5988 5.6347 5.6347 5.7136 5.7136 5.9306 5.9306 6.0817 6.0817 6.1024 6.1024 6.4326 6.4326 6.7961 6.7961 7.0177 7.0177 k = 0.0000 0.0000 0.0199 ( 4661 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9593 -30.9593 -30.9272 -30.9272 -23.1847 -23.1847 -23.1414 -23.1414 -23.1290 -23.1290 -23.0219 -23.0219 -2.3542 -2.3542 0.2643 0.2643 4.7023 4.7023 5.5912 5.5912 5.6016 5.6016 5.6975 5.6975 5.9511 5.9511 6.0907 6.0907 6.1213 6.1213 6.4353 6.4353 6.8015 6.8015 7.0193 7.0193 k = 0.0000 0.0000 0.0398 ( 4661 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9593 -30.9593 -30.9273 -30.9273 -23.1847 -23.1847 -23.1417 -23.1417 -23.1286 -23.1286 -23.0219 -23.0219 -2.3506 -2.3506 0.2637 0.2637 4.6972 4.6972 5.5196 5.5196 5.5694 5.5694 5.6641 5.6641 5.9821 5.9821 6.1122 6.1122 6.1821 6.1821 6.4434 6.4434 6.8165 6.8165 7.0241 7.0241 k = 0.0000 0.0000 0.0596 ( 4665 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9592 -30.9592 -30.9274 -30.9274 -23.1846 -23.1846 -23.1423 -23.1423 -23.1281 -23.1281 -23.0221 -23.0221 -2.3445 -2.3445 0.2627 0.2627 4.6888 4.6888 5.4169 5.4169 5.5355 5.5355 5.6207 5.6207 6.0026 6.0026 6.1442 6.1442 6.2713 6.2713 6.4576 6.4576 6.8387 6.8387 7.0319 7.0319 k = 0.0000 0.0000 0.0795 ( 4665 PWs) bands (ev): -56.7355 -56.7355 -56.7289 -56.7289 -30.9592 -30.9592 -30.9275 -30.9275 -23.1846 -23.1846 -23.1429 -23.1429 -23.1274 -23.1274 -23.0223 -23.0223 -2.3359 -2.3359 0.2613 0.2613 4.6775 4.6775 5.3067 5.3067 5.4916 5.4916 5.5706 5.5706 6.0156 6.0156 6.1844 6.1844 6.3706 6.3706 6.4796 6.4796 6.8651 6.8651 7.0422 7.0422 k = 0.0000 0.0000 0.0994 ( 4661 PWs) bands (ev): -56.7355 -56.7355 -56.7289 -56.7289 -30.9590 -30.9590 -30.9276 -30.9276 -23.1845 -23.1845 -23.1436 -23.1436 -23.1265 -23.1265 -23.0225 -23.0225 -2.3250 -2.3250 0.2594 0.2594 4.6636 4.6636 5.1937 5.1937 5.4395 5.4395 5.5174 5.5174 6.0247 6.0247 6.2295 6.2295 6.4604 6.4604 6.5205 6.5205 6.8933 6.8933 7.0541 7.0541 k = 0.0000 0.0000 0.1193 ( 4655 PWs) bands (ev): -56.7354 -56.7354 -56.7289 -56.7289 -30.9588 -30.9588 -30.9277 -30.9277 -23.1845 -23.1845 -23.1444 -23.1444 -23.1255 -23.1255 -23.0228 -23.0228 -2.3117 -2.3117 0.2569 0.2569 4.6474 4.6474 5.0804 5.0804 5.3806 5.3806 5.4641 5.4641 6.0317 6.0317 6.2774 6.2774 6.5118 6.5118 6.6048 6.6048 6.9221 6.9221 7.0663 7.0663 k = 0.0000 0.0000 0.1392 ( 4653 PWs) bands (ev): -56.7354 -56.7354 -56.7289 -56.7289 -30.9587 -30.9587 -30.9279 -30.9279 -23.1844 -23.1844 -23.1453 -23.1453 -23.1245 -23.1245 -23.0231 -23.0231 -2.2960 -2.2960 0.2537 0.2537 4.6293 4.6293 4.9680 4.9680 5.3171 5.3171 5.4119 5.4119 6.0370 6.0370 6.3265 6.3265 6.5504 6.5504 6.7033 6.7033 6.9521 6.9521 7.0772 7.0772 k = 0.0000 0.0000 0.1590 ( 4659 PWs) bands (ev): -56.7354 -56.7354 -56.7289 -56.7289 -30.9586 -30.9586 -30.9281 -30.9281 -23.1844 -23.1844 -23.1462 -23.1462 -23.1234 -23.1234 -23.0235 -23.0235 -2.2781 -2.2781 0.2497 0.2497 4.6099 4.6099 4.8571 4.8571 5.2515 5.2515 5.3611 5.3611 6.0410 6.0410 6.3756 6.3756 6.5907 6.5907 6.7972 6.7972 6.9857 6.9857 7.0854 7.0854 k = 0.0000 0.0000 0.1789 ( 4651 PWs) bands (ev): -56.7354 -56.7354 -56.7290 -56.7290 -30.9584 -30.9584 -30.9282 -30.9282 -23.1843 -23.1843 -23.1471 -23.1471 -23.1222 -23.1222 -23.0239 -23.0239 -2.2579 -2.2579 0.2448 0.2448 4.5892 4.5892 4.7484 4.7484 5.1859 5.1859 5.3116 5.3116 6.0438 6.0438 6.4240 6.4240 6.6345 6.6345 6.8775 6.8775 7.0279 7.0279 7.0911 7.0911 k = 0.0000 0.0000 0.1988 ( 4651 PWs) bands (ev): -56.7353 -56.7353 -56.7290 -56.7290 -30.9583 -30.9583 -30.9284 -30.9284 -23.1843 -23.1843 -23.1480 -23.1480 -23.1211 -23.1211 -23.0244 -23.0244 -2.2355 -2.2355 0.2389 0.2389 4.5673 4.5673 4.6429 4.6429 5.1220 5.1220 5.2634 5.2634 6.0455 6.0455 6.4710 6.4710 6.6815 6.6815 6.9368 6.9368 7.0700 7.0700 7.1093 7.1093 k = 0.0000 0.0000 0.2187 ( 4649 PWs) bands (ev): -56.7353 -56.7353 -56.7290 -56.7290 -30.9582 -30.9582 -30.9285 -30.9285 -23.1843 -23.1843 -23.1489 -23.1489 -23.1199 -23.1199 -23.0248 -23.0248 -2.2110 -2.2110 0.2319 0.2319 4.5305 4.5305 4.5548 4.5548 5.0609 5.0609 5.2164 5.2164 6.0463 6.0463 6.5162 6.5162 6.7311 6.7311 6.9778 6.9778 7.0737 7.0737 7.1751 7.1751 k = 0.0000 0.0000 0.2386 ( 4651 PWs) bands (ev): -56.7352 -56.7352 -56.7291 -56.7291 -30.9580 -30.9580 -30.9287 -30.9287 -23.1842 -23.1842 -23.1498 -23.1498 -23.1186 -23.1186 -23.0254 -23.0254 -2.1844 -2.1844 0.2236 0.2236 4.4360 4.4360 4.5276 4.5276 5.0037 5.0037 5.1707 5.1707 6.0462 6.0462 6.5590 6.5590 6.7818 6.7818 7.0090 7.0090 7.0656 7.0656 7.2541 7.2541 k = 0.0000 0.0000 0.2584 ( 4657 PWs) bands (ev): -56.7352 -56.7352 -56.7291 -56.7291 -30.9578 -30.9578 -30.9290 -30.9290 -23.1842 -23.1842 -23.1508 -23.1508 -23.1174 -23.1174 -23.0261 -23.0261 -2.1558 -2.1558 0.2139 0.2139 4.3396 4.3396 4.5058 4.5058 4.9511 4.9511 5.1264 5.1264 6.0454 6.0454 6.5990 6.5990 6.8314 6.8314 7.0334 7.0334 7.0576 7.0576 7.3336 7.3336 k = 0.0000 0.0000 0.2783 ( 4652 PWs) bands (ev): -56.7351 -56.7351 -56.7292 -56.7292 -30.9576 -30.9576 -30.9292 -30.9292 -23.1841 -23.1841 -23.1517 -23.1517 -23.1161 -23.1161 -23.0267 -23.0267 -2.1253 -2.1253 0.2027 0.2027 4.2466 4.2466 4.4849 4.4849 4.9037 4.9037 5.0835 5.0835 6.0442 6.0442 6.6356 6.6356 6.8739 6.8739 7.0395 7.0395 7.0701 7.0701 7.4103 7.4103 k = 0.0000 0.0000 0.2982 ( 4660 PWs) bands (ev): -56.7351 -56.7351 -56.7293 -56.7293 -30.9574 -30.9574 -30.9295 -30.9295 -23.1841 -23.1841 -23.1527 -23.1527 -23.1148 -23.1148 -23.0274 -23.0274 -2.0930 -2.0930 0.1900 0.1900 4.1573 4.1573 4.4648 4.4648 4.8619 4.8619 5.0421 5.0421 6.0425 6.0425 6.6682 6.6682 6.8975 6.8975 7.0487 7.0487 7.0952 7.0952 7.4830 7.4830 k = 0.0000 0.0000 0.3181 ( 4660 PWs) bands (ev): -56.7350 -56.7350 -56.7293 -56.7293 -30.9571 -30.9571 -30.9298 -30.9298 -23.1840 -23.1840 -23.1536 -23.1536 -23.1134 -23.1134 -23.0282 -23.0282 -2.0590 -2.0590 0.1755 0.1755 4.0721 4.0721 4.4455 4.4455 4.8260 4.8260 5.0022 5.0022 6.0406 6.0406 6.6956 6.6956 6.8941 6.8941 7.0803 7.0803 7.1230 7.1230 7.5512 7.5512 k = 0.0000 0.0000 0.3380 ( 4660 PWs) bands (ev): -56.7349 -56.7349 -56.7294 -56.7294 -30.9569 -30.9569 -30.9301 -30.9301 -23.1839 -23.1839 -23.1545 -23.1545 -23.1120 -23.1120 -23.0290 -23.0290 -2.0234 -2.0234 0.1593 0.1593 3.9911 3.9911 4.4272 4.4272 4.7964 4.7964 4.9638 4.9638 6.0385 6.0385 6.7156 6.7156 6.8741 6.8741 7.1238 7.1238 7.1556 7.1556 7.6147 7.6147 k = 0.0000 0.0000 0.3578 ( 4656 PWs) bands (ev): -56.7349 -56.7349 -56.7294 -56.7294 -30.9566 -30.9566 -30.9304 -30.9304 -23.1838 -23.1838 -23.1554 -23.1554 -23.1106 -23.1106 -23.0298 -23.0298 -1.9862 -1.9862 0.1414 0.1414 3.9147 3.9147 4.4100 4.4100 4.7731 4.7731 4.9270 4.9270 6.0364 6.0364 6.7231 6.7231 6.8519 6.8519 7.1624 7.1624 7.2005 7.2005 7.6737 7.6737 k = 0.0000 0.0000 0.3777 ( 4664 PWs) bands (ev): -56.7348 -56.7348 -56.7295 -56.7295 -30.9563 -30.9563 -30.9308 -30.9308 -23.1838 -23.1838 -23.1564 -23.1564 -23.1092 -23.1092 -23.0307 -23.0307 -1.9477 -1.9477 0.1216 0.1216 3.8428 3.8428 4.3940 4.3940 4.7563 4.7563 4.8918 4.8918 6.0344 6.0344 6.7103 6.7103 6.8394 6.8394 7.1941 7.1941 7.2555 7.2555 7.7283 7.7283 k = 0.0000 0.0000 0.3976 ( 4668 PWs) bands (ev): -56.7347 -56.7347 -56.7296 -56.7296 -30.9561 -30.9561 -30.9312 -30.9312 -23.1837 -23.1837 -23.1573 -23.1573 -23.1078 -23.1078 -23.0316 -23.0316 -1.9079 -1.9079 0.1001 0.1001 3.7758 3.7758 4.3792 4.3792 4.7457 4.7457 4.8582 4.8582 6.0326 6.0326 6.6765 6.6765 6.8388 6.8388 7.2240 7.2240 7.3136 7.3136 7.7788 7.7788 k = 0.0000 0.0000 0.4175 ( 4668 PWs) bands (ev): -56.7347 -56.7347 -56.7297 -56.7297 -30.9557 -30.9557 -30.9316 -30.9316 -23.1835 -23.1835 -23.1582 -23.1582 -23.1063 -23.1063 -23.0326 -23.0326 -1.8669 -1.8669 0.0768 0.0768 3.7138 3.7138 4.3658 4.3658 4.7413 4.7413 4.8263 4.8263 6.0310 6.0310 6.6295 6.6295 6.8436 6.8436 7.2539 7.2539 7.3719 7.3719 7.8253 7.8253 k = 0.0000 0.0000 0.4373 ( 4676 PWs) bands (ev): -56.7346 -56.7346 -56.7297 -56.7297 -30.9554 -30.9554 -30.9320 -30.9320 -23.1834 -23.1834 -23.1591 -23.1591 -23.1049 -23.1049 -23.0337 -23.0337 -1.8249 -1.8249 0.0517 0.0517 3.6569 3.6569 4.3536 4.3536 4.7423 4.7423 4.7965 4.7965 6.0297 6.0297 6.5751 6.5751 6.8486 6.8486 7.2842 7.2842 7.4292 7.4292 7.8683 7.8683 k = 0.0000 0.0000 0.4572 ( 4676 PWs) bands (ev): -56.7345 -56.7345 -56.7298 -56.7298 -30.9551 -30.9551 -30.9324 -30.9324 -23.1833 -23.1833 -23.1600 -23.1600 -23.1034 -23.1034 -23.0347 -23.0347 -1.7821 -1.7821 0.0250 0.0250 3.6054 3.6054 4.3429 4.3429 4.7456 4.7456 4.7718 4.7718 6.0287 6.0287 6.5161 6.5161 6.8517 6.8517 7.3149 7.3149 7.4848 7.4848 7.9078 7.9078 k = 0.0000 0.0000 0.4771 ( 4676 PWs) bands (ev): -56.7344 -56.7344 -56.7299 -56.7299 -30.9547 -30.9547 -30.9328 -30.9328 -23.1831 -23.1831 -23.1608 -23.1608 -23.1019 -23.1019 -23.0358 -23.0358 -1.7384 -1.7384 -0.0032 -0.0032 3.5593 3.5593 4.3335 4.3335 4.7325 4.7325 4.7699 4.7699 6.0282 6.0282 6.4541 6.4541 6.8520 6.8520 7.3463 7.3463 7.5382 7.5382 7.9441 7.9441 k = 0.0000 0.0000 0.4970 ( 4680 PWs) bands (ev): -56.7343 -56.7343 -56.7300 -56.7300 -30.9544 -30.9544 -30.9332 -30.9332 -23.1830 -23.1830 -23.1617 -23.1617 -23.1004 -23.1004 -23.0369 -23.0369 -1.6942 -1.6942 -0.0329 -0.0329 3.5187 3.5187 4.3255 4.3255 4.7084 4.7084 4.7853 4.7853 6.0281 6.0281 6.3906 6.3906 6.8491 6.8491 7.3782 7.3782 7.5888 7.5888 7.9774 7.9774 k = 0.0000 0.0000 0.5169 ( 4680 PWs) bands (ev): -56.7343 -56.7343 -56.7301 -56.7301 -30.9540 -30.9540 -30.9336 -30.9336 -23.1828 -23.1828 -23.1625 -23.1625 -23.0989 -23.0989 -23.0381 -23.0381 -1.6494 -1.6494 -0.0640 -0.0640 3.4839 3.4839 4.3188 4.3188 4.6840 4.6840 4.8059 4.8059 6.0283 6.0283 6.3268 6.3268 6.8429 6.8429 7.4105 7.4105 7.6366 7.6366 8.0078 8.0078 k = 0.0000 0.0000 0.5367 ( 4688 PWs) bands (ev): -56.7342 -56.7342 -56.7302 -56.7302 -30.9536 -30.9536 -30.9341 -30.9341 -23.1826 -23.1826 -23.1633 -23.1633 -23.0974 -23.0974 -23.0393 -23.0393 -1.6044 -1.6044 -0.0962 -0.0962 3.4549 3.4549 4.3135 4.3135 4.6606 4.6606 4.8295 4.8295 6.0287 6.0287 6.2643 6.2643 6.8334 6.8334 7.4433 7.4433 7.6812 7.6812 8.0352 8.0352 k = 0.0000 0.0000 0.5566 ( 4680 PWs) bands (ev): -56.7341 -56.7341 -56.7303 -56.7303 -30.9531 -30.9531 -30.9346 -30.9346 -23.1824 -23.1824 -23.1641 -23.1641 -23.0958 -23.0958 -23.0405 -23.0405 -1.5591 -1.5591 -0.1295 -0.1295 3.4318 3.4318 4.3094 4.3094 4.6382 4.6382 4.8542 4.8542 6.0289 6.0289 6.2055 6.2055 6.8207 6.8207 7.4762 7.4762 7.7225 7.7225 8.0598 8.0598 k = 0.0000 0.0000 0.5765 ( 4672 PWs) bands (ev): -56.7340 -56.7340 -56.7303 -56.7303 -30.9526 -30.9526 -30.9350 -30.9350 -23.1821 -23.1821 -23.1649 -23.1649 -23.0942 -23.0942 -23.0418 -23.0418 -1.5137 -1.5137 -0.1638 -0.1638 3.4148 3.4148 4.3067 4.3067 4.6170 4.6170 4.8779 4.8779 6.0277 6.0277 6.1536 6.1536 6.8048 6.8048 7.5094 7.5094 7.7607 7.7607 8.0815 8.0815 k = 0.0000 0.0000 0.5964 ( 4676 PWs) bands (ev): -56.7339 -56.7339 -56.7304 -56.7304 -30.9522 -30.9522 -30.9355 -30.9355 -23.1819 -23.1819 -23.1656 -23.1656 -23.0926 -23.0926 -23.0431 -23.0431 -1.4684 -1.4684 -0.1989 -0.1989 3.4038 3.4038 4.3052 4.3052 4.5969 4.5969 4.8983 4.8983 6.0228 6.0228 6.1136 6.1136 6.7861 6.7861 7.5424 7.5424 7.7958 7.7958 8.1002 8.1002 k = 0.0000 0.0000 0.6163 ( 4676 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9518 -30.9518 -30.9360 -30.9360 -23.1816 -23.1816 -23.1664 -23.1664 -23.0910 -23.0910 -23.0444 -23.0444 -1.4232 -1.4232 -0.2346 -0.2346 3.3989 3.3989 4.3048 4.3048 4.5778 4.5778 4.9122 4.9122 6.0120 6.0120 6.0911 6.0911 6.7646 6.7646 7.5752 7.5752 7.8280 7.8280 8.1159 8.1159 k = 0.0000 0.0000 0.6361 ( 4676 PWs) bands (ev): -56.7337 -56.7337 -56.7306 -56.7306 -30.9513 -30.9513 -30.9365 -30.9365 -23.1814 -23.1814 -23.1672 -23.1672 -23.0894 -23.0894 -23.0457 -23.0457 -1.3782 -1.3782 -0.2709 -0.2709 3.4002 3.4002 4.3055 4.3055 4.5596 4.5596 4.9164 4.9164 6.0004 6.0004 6.0842 6.0842 6.7407 6.7407 7.6074 7.6074 7.8576 7.8576 8.1286 8.1286 k = 0.0000 0.0000 0.6560 ( 4672 PWs) bands (ev): -56.7336 -56.7336 -56.7307 -56.7307 -30.9508 -30.9508 -30.9370 -30.9370 -23.1811 -23.1811 -23.1679 -23.1679 -23.0878 -23.0878 -23.0471 -23.0471 -1.3336 -1.3336 -0.3076 -0.3076 3.4077 3.4077 4.3073 4.3073 4.5423 4.5423 4.9083 4.9083 5.9979 5.9979 6.0859 6.0859 6.7146 6.7146 7.6388 7.6388 7.8848 7.8848 8.1382 8.1382 k = 0.0000 0.0000 0.6759 ( 4672 PWs) bands (ev): -56.7335 -56.7335 -56.7308 -56.7308 -30.9503 -30.9503 -30.9375 -30.9375 -23.1808 -23.1808 -23.1686 -23.1686 -23.0862 -23.0862 -23.0485 -23.0485 -1.2894 -1.2894 -0.3447 -0.3447 3.4213 3.4213 4.3100 4.3100 4.5257 4.5257 4.8861 4.8861 6.0106 6.0106 6.0922 6.0922 6.6867 6.6867 7.6689 7.6689 7.9098 7.9098 8.1446 8.1446 k = 0.0000 0.0000 0.6958 ( 4680 PWs) bands (ev): -56.7334 -56.7334 -56.7309 -56.7309 -30.9499 -30.9499 -30.9381 -30.9381 -23.1805 -23.1805 -23.1694 -23.1694 -23.0846 -23.0846 -23.0499 -23.0499 -1.2457 -1.2457 -0.3820 -0.3820 3.4410 3.4410 4.3137 4.3137 4.5097 4.5097 4.8500 4.8500 6.0401 6.0401 6.1017 6.1017 6.6573 6.6573 7.6970 7.6970 7.9329 7.9329 8.1476 8.1476 k = 0.0000 0.0000 0.7157 ( 4672 PWs) bands (ev): -56.7333 -56.7333 -56.7310 -56.7310 -30.9493 -30.9493 -30.9386 -30.9386 -23.1801 -23.1801 -23.1700 -23.1700 -23.0829 -23.0829 -23.0513 -23.0513 -1.2024 -1.2024 -0.4196 -0.4196 3.4667 3.4667 4.3182 4.3182 4.4940 4.4940 4.8014 4.8014 6.0839 6.0839 6.1157 6.1157 6.6267 6.6267 7.7221 7.7221 7.9542 7.9542 8.1467 8.1467 k = 0.0000 0.0000 0.7355 ( 4676 PWs) bands (ev): -56.7332 -56.7332 -56.7311 -56.7311 -30.9488 -30.9488 -30.9392 -30.9392 -23.1798 -23.1798 -23.1707 -23.1707 -23.0813 -23.0813 -23.0528 -23.0528 -1.1598 -1.1598 -0.4572 -0.4572 3.4984 3.4984 4.3234 4.3234 4.4783 4.4783 4.7428 4.7428 6.1184 6.1184 6.1556 6.1556 6.5953 6.5953 7.7424 7.7424 7.9735 7.9735 8.1394 8.1394 k = 0.0000 0.0000 0.7554 ( 4680 PWs) bands (ev): -56.7331 -56.7331 -56.7313 -56.7313 -30.9483 -30.9483 -30.9397 -30.9397 -23.1794 -23.1794 -23.1714 -23.1714 -23.0797 -23.0797 -23.0543 -23.0543 -1.1176 -1.1176 -0.4949 -0.4949 3.5357 3.5357 4.3293 4.3293 4.4619 4.4619 4.6774 4.6774 6.1355 6.1355 6.2271 6.2271 6.5636 6.5636 7.7541 7.7541 7.9898 7.9898 8.1178 8.1178 k = 0.0000 0.0000 0.7753 ( 4684 PWs) bands (ev): -56.7330 -56.7330 -56.7314 -56.7314 -30.9478 -30.9478 -30.9403 -30.9403 -23.1791 -23.1791 -23.1721 -23.1721 -23.0781 -23.0781 -23.0558 -23.0558 -1.0761 -1.0761 -0.5327 -0.5327 3.5787 3.5787 4.3357 4.3357 4.4433 4.4433 4.6089 4.6089 6.1522 6.1522 6.3105 6.3105 6.5324 6.5324 7.7497 7.7497 7.9994 7.9994 8.0791 8.0791 k = 0.0000 0.0000 0.7952 ( 4690 PWs) bands (ev): -56.7329 -56.7329 -56.7315 -56.7315 -30.9473 -30.9473 -30.9409 -30.9409 -23.1787 -23.1787 -23.1727 -23.1727 -23.0764 -23.0764 -23.0574 -23.0574 -1.0351 -1.0351 -0.5705 -0.5705 3.6271 3.6271 4.3425 4.3425 4.4184 4.4184 4.5434 4.5434 6.1702 6.1702 6.3992 6.3992 6.5053 6.5053 7.7172 7.7172 7.9940 7.9940 8.0555 8.0555 k = 0.0000 0.0000 0.8151 ( 4682 PWs) bands (ev): -56.7327 -56.7327 -56.7316 -56.7316 -30.9467 -30.9467 -30.9414 -30.9414 -23.1783 -23.1783 -23.1733 -23.1733 -23.0748 -23.0748 -23.0588 -23.0588 -0.9946 -0.9946 -0.6083 -0.6083 3.6805 3.6805 4.3474 4.3474 4.3804 4.3804 4.4915 4.4915 6.1896 6.1896 6.4470 6.4470 6.5268 6.5268 7.6504 7.6504 7.9841 7.9841 8.0546 8.0546 k = 0.0000 0.0000 0.8349 ( 4670 PWs) bands (ev): -56.7326 -56.7326 -56.7317 -56.7317 -30.9462 -30.9462 -30.9418 -30.9418 -23.1778 -23.1778 -23.1738 -23.1738 -23.0731 -23.0731 -23.0604 -23.0604 -0.9546 -0.9546 -0.6462 -0.6462 3.7388 3.7388 4.3123 4.3123 4.3629 4.3629 4.4590 4.4590 6.2105 6.2105 6.4252 6.4252 6.6246 6.6246 7.5572 7.5572 7.9847 7.9847 8.0570 8.0570 k = 0.0000 0.0000 0.8548 ( 4674 PWs) bands (ev): -56.7325 -56.7325 -56.7318 -56.7318 -30.9457 -30.9457 -30.9424 -30.9424 -23.1774 -23.1774 -23.1744 -23.1744 -23.0715 -23.0715 -23.0619 -23.0619 -0.9151 -0.9151 -0.6841 -0.6841 3.8016 3.8016 4.2413 4.2413 4.3700 4.3700 4.4385 4.4385 6.2330 6.2330 6.3959 6.3959 6.7354 6.7354 7.4488 7.4488 7.9929 7.9929 8.0559 8.0559 k = 0.0000 0.0000 0.8747 ( 4670 PWs) bands (ev): -56.7324 -56.7324 -56.7319 -56.7319 -30.9451 -30.9451 -30.9429 -30.9429 -23.1769 -23.1769 -23.1749 -23.1749 -23.0699 -23.0699 -23.0635 -23.0635 -0.8759 -0.8759 -0.7221 -0.7221 3.8684 3.8684 4.1650 4.1650 4.3789 4.3789 4.4233 4.4233 6.2570 6.2570 6.3662 6.3662 6.8513 6.8513 7.3326 7.3326 8.0047 8.0047 8.0504 8.0504 k = 0.0000 0.0000 0.8946 ( 4668 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9445 -30.9445 -30.9434 -30.9434 -23.1764 -23.1764 -23.1754 -23.1754 -23.0683 -23.0683 -23.0651 -23.0651 -0.8371 -0.8371 -0.7602 -0.7602 3.9389 3.9389 4.0881 4.0881 4.3886 4.3886 4.4105 4.4105 6.2824 6.2824 6.3372 6.3372 6.9704 6.9704 7.2126 7.2126 8.0175 8.0175 8.0414 8.0414 k = 0.0000 0.0000 0.9145 ( 4666 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1760 -23.1760 -23.1759 -23.1759 -23.0667 -23.0667 -23.0667 -23.0667 -0.7985 -0.7985 -0.7985 -0.7985 4.0123 4.0123 4.0124 4.0124 4.3991 4.3991 4.3991 4.3991 6.3092 6.3092 6.3092 6.3092 7.0913 7.0913 7.0913 7.0913 8.0301 8.0301 8.0301 8.0301 k = 0.0000 0.0000 0.9145 ( 4666 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1760 -23.1760 -23.1759 -23.1759 -23.0667 -23.0667 -23.0667 -23.0667 -0.7985 -0.7985 -0.7985 -0.7985 4.0123 4.0123 4.0124 4.0124 4.3991 4.3991 4.3991 4.3991 6.3092 6.3092 6.3092 6.3092 7.0913 7.0913 7.0913 7.0913 8.0301 8.0301 8.0301 8.0301 k =-0.0107 0.0163 0.9145 ( 4664 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1763 -23.1763 -23.1755 -23.1755 -23.0671 -23.0671 -23.0663 -23.0663 -0.7991 -0.7991 -0.7983 -0.7983 3.9914 3.9914 4.0076 4.0076 4.4057 4.4057 4.4200 4.4200 6.3055 6.3055 6.3106 6.3106 7.0932 7.0932 7.0935 7.0935 8.0085 8.0085 8.0473 8.0473 k =-0.0213 0.0327 0.9145 ( 4660 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9439 -30.9439 -30.9439 -30.9439 -23.1766 -23.1766 -23.1751 -23.1751 -23.0674 -23.0674 -23.0659 -23.0659 -0.8001 -0.8001 -0.7983 -0.7983 3.9513 3.9513 3.9792 3.9792 4.4376 4.4376 4.4615 4.4615 6.2994 6.2994 6.3097 6.3097 7.0991 7.0991 7.0998 7.0998 7.9860 7.9860 8.0549 8.0549 k =-0.0320 0.0490 0.9145 ( 4656 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9439 -30.9439 -30.9439 -30.9439 -23.1770 -23.1770 -23.1747 -23.1747 -23.0678 -23.0678 -23.0655 -23.0655 -0.8013 -0.8013 -0.7987 -0.7987 3.9005 3.9005 3.9356 3.9356 4.4864 4.4864 4.5155 4.5155 6.2913 6.2913 6.3064 6.3064 7.1090 7.1090 7.1102 7.1102 7.9645 7.9645 8.0513 8.0513 k =-0.0426 0.0653 0.9145 ( 4670 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1773 -23.1773 -23.1743 -23.1743 -23.0683 -23.0683 -23.0652 -23.0652 -0.8029 -0.8029 -0.7994 -0.7994 3.8447 3.8447 3.8842 3.8842 4.5447 4.5447 4.5763 4.5763 6.2812 6.2812 6.3009 6.3009 7.1228 7.1228 7.1248 7.1248 7.9446 7.9446 8.0401 8.0401 k =-0.0533 0.0816 0.9145 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1777 -23.1777 -23.1739 -23.1739 -23.0688 -23.0688 -23.0649 -23.0649 -0.8050 -0.8050 -0.8006 -0.8006 3.7871 3.7871 3.8295 3.8295 4.6079 4.6079 4.6407 4.6407 6.2693 6.2693 6.2934 6.2934 7.1403 7.1403 7.1434 7.1434 7.9268 7.9268 8.0254 8.0254 k =-0.0640 0.0980 0.9145 ( 4668 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1779 -23.1779 -23.1733 -23.1733 -23.0692 -23.0692 -23.0646 -23.0646 -0.8074 -0.8074 -0.8022 -0.8022 3.7297 3.7297 3.7742 3.7742 4.6737 4.6737 4.7068 4.7068 6.2561 6.2561 6.2842 6.2842 7.1614 7.1614 7.1659 7.1659 7.9108 7.9108 8.0095 8.0095 k =-0.0746 0.1143 0.9145 ( 4680 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1781 -23.1781 -23.1729 -23.1729 -23.0696 -23.0696 -23.0644 -23.0644 -0.8104 -0.8104 -0.8044 -0.8044 3.6737 3.6737 3.7198 3.7198 4.7405 4.7405 4.7735 4.7735 6.2416 6.2416 6.2734 6.2734 7.1860 7.1860 7.1923 7.1923 7.8966 7.8966 7.9933 7.9933 k =-0.0853 0.1306 0.9145 ( 4680 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1783 -23.1783 -23.1724 -23.1724 -23.0701 -23.0701 -23.0641 -23.0641 -0.8139 -0.8139 -0.8072 -0.8072 3.6199 3.6199 3.6672 3.6672 4.8073 4.8073 4.8402 4.8402 6.2263 6.2263 6.2614 6.2614 7.2137 7.2137 7.2224 7.2224 7.8836 7.8836 7.9773 7.9773 k =-0.0960 0.1469 0.9145 ( 4684 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1785 -23.1785 -23.1719 -23.1719 -23.0705 -23.0705 -23.0639 -23.0639 -0.8181 -0.8181 -0.8106 -0.8106 3.5690 3.5690 3.6173 3.6173 4.8737 4.8737 4.9062 4.9062 6.2104 6.2104 6.2485 6.2485 7.2444 7.2444 7.2559 7.2559 7.8717 7.8717 7.9613 7.9613 k =-0.1066 0.1633 0.9145 ( 4692 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9440 -30.9440 -23.1787 -23.1787 -23.1714 -23.1714 -23.0710 -23.0710 -23.0637 -23.0637 -0.8229 -0.8229 -0.8148 -0.8148 3.5215 3.5215 3.5707 3.5707 4.9391 4.9391 4.9713 4.9713 6.1941 6.1941 6.2350 6.2350 7.2777 7.2777 7.2925 7.2925 7.8604 7.8604 7.9453 7.9453 k =-0.1066 0.1633 0.9145 ( 4692 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9440 -30.9440 -23.1787 -23.1787 -23.1714 -23.1714 -23.0710 -23.0710 -23.0637 -23.0637 -0.8229 -0.8229 -0.8148 -0.8148 3.5215 3.5215 3.5707 3.5707 4.9391 4.9391 4.9713 4.9713 6.1941 6.1941 6.2350 6.2350 7.2777 7.2777 7.2925 7.2925 7.8604 7.8604 7.9453 7.9453 k =-0.1142 0.1748 0.9006 ( 4702 PWs) bands (ev): -56.7323 -56.7323 -56.7321 -56.7321 -30.9444 -30.9444 -30.9438 -30.9438 -23.1788 -23.1788 -23.1711 -23.1711 -23.0715 -23.0715 -23.0635 -23.0635 -0.8460 -0.8460 -0.7991 -0.7991 3.4616 3.4616 3.5691 3.5691 4.9845 4.9845 5.0170 5.0170 6.1763 6.1763 6.2310 6.2310 7.2419 7.2419 7.3804 7.3804 7.8523 7.8523 7.9364 7.9364 k =-0.1217 0.1864 0.8868 ( 4708 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9448 -30.9448 -30.9435 -30.9435 -23.1789 -23.1789 -23.1707 -23.1707 -23.0722 -23.0722 -23.0630 -23.0630 -0.8720 -0.8720 -0.7812 -0.7812 3.3880 3.3880 3.5867 3.5867 5.0294 5.0294 5.0613 5.0613 6.1520 6.1520 6.2324 6.2324 7.2040 7.2040 7.4701 7.4701 7.8436 7.8436 7.9353 7.9353 k =-0.1293 0.1980 0.8729 ( 4702 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9451 -30.9451 -30.9431 -30.9431 -23.1790 -23.1790 -23.1703 -23.1703 -23.0730 -23.0730 -23.0624 -23.0624 -0.8975 -0.8975 -0.7646 -0.7646 3.3146 3.3146 3.6099 3.6099 5.0733 5.0733 5.1042 5.1042 6.1260 6.1260 6.2338 6.2338 7.1711 7.1711 7.5505 7.5505 7.8336 7.8336 7.9471 7.9471 k =-0.1369 0.2096 0.8591 ( 4704 PWs) bands (ev): -56.7325 -56.7325 -56.7319 -56.7319 -30.9454 -30.9454 -30.9428 -30.9428 -23.1791 -23.1791 -23.1698 -23.1698 -23.0739 -23.0739 -23.0617 -23.0617 -0.9225 -0.9225 -0.7493 -0.7493 3.2430 3.2430 3.6375 3.6375 5.1140 5.1140 5.1474 5.1474 6.0998 6.0998 6.2333 6.2333 7.1432 7.1432 7.6159 7.6159 7.8228 7.8228 7.9775 7.9775 k =-0.1444 0.2212 0.8453 ( 4710 PWs) bands (ev): -56.7325 -56.7325 -56.7318 -56.7318 -30.9458 -30.9458 -30.9424 -30.9424 -23.1792 -23.1792 -23.1694 -23.1694 -23.0749 -23.0749 -23.0610 -23.0610 -0.9467 -0.9467 -0.7353 -0.7353 3.1737 3.1737 3.6690 3.6690 5.1485 5.1485 5.1937 5.1937 6.0739 6.0739 6.2297 6.2297 7.1200 7.1200 7.6614 7.6614 7.8132 7.8132 8.0294 8.0294 k =-0.1520 0.2328 0.8314 ( 4712 PWs) bands (ev): -56.7326 -56.7326 -56.7318 -56.7318 -30.9461 -30.9461 -30.9421 -30.9421 -23.1792 -23.1792 -23.1689 -23.1689 -23.0758 -23.0758 -23.0603 -23.0603 -0.9701 -0.9701 -0.7226 -0.7226 3.1068 3.1068 3.7043 3.7043 5.1761 5.1761 5.2435 5.2435 6.0487 6.0487 6.2225 6.2225 7.1007 7.1007 7.6870 7.6870 7.8077 7.8077 8.0997 8.0997 k =-0.1596 0.2444 0.8176 ( 4712 PWs) bands (ev): -56.7327 -56.7327 -56.7317 -56.7317 -30.9464 -30.9464 -30.9418 -30.9418 -23.1793 -23.1793 -23.1685 -23.1685 -23.0768 -23.0768 -23.0596 -23.0596 -0.9928 -0.9928 -0.7111 -0.7111 3.0426 3.0426 3.7435 3.7435 5.1980 5.1980 5.2956 5.2956 6.0243 6.0243 6.2113 6.2113 7.0842 7.0842 7.6959 7.6959 7.8096 7.8096 8.1795 8.1795 k =-0.1671 0.2559 0.8038 ( 4705 PWs) bands (ev): -56.7327 -56.7327 -56.7316 -56.7316 -30.9466 -30.9466 -30.9415 -30.9415 -23.1793 -23.1793 -23.1680 -23.1680 -23.0777 -23.0777 -23.0589 -23.0589 -1.0145 -1.0145 -0.7009 -0.7009 2.9811 2.9811 3.7862 3.7862 5.2147 5.2147 5.3493 5.3493 6.0010 6.0010 6.1961 6.1961 7.0691 7.0691 7.6929 7.6929 7.8201 7.8201 8.2473 8.2473 k =-0.1747 0.2675 0.7899 ( 4701 PWs) bands (ev): -56.7328 -56.7328 -56.7316 -56.7316 -30.9468 -30.9468 -30.9412 -30.9412 -23.1793 -23.1793 -23.1675 -23.1675 -23.0786 -23.0786 -23.0582 -23.0582 -1.0354 -1.0354 -0.6918 -0.6918 2.9224 2.9224 3.8324 3.8324 5.2269 5.2269 5.4041 5.4041 5.9790 5.9790 6.1771 6.1771 7.0541 7.0541 7.6828 7.6828 7.8377 7.8377 8.2594 8.2594 k =-0.1823 0.2791 0.7761 ( 4705 PWs) bands (ev): -56.7328 -56.7328 -56.7315 -56.7315 -30.9471 -30.9471 -30.9409 -30.9409 -23.1793 -23.1793 -23.1671 -23.1671 -23.0796 -23.0796 -23.0576 -23.0576 -1.0553 -1.0553 -0.6839 -0.6839 2.8667 2.8667 3.8820 3.8820 5.2350 5.2350 5.4593 5.4593 5.9586 5.9586 6.1547 6.1547 7.0378 7.0378 7.6692 7.6692 7.8608 7.8608 8.2417 8.2417 k =-0.1898 0.2907 0.7623 ( 4702 PWs) bands (ev): -56.7329 -56.7329 -56.7315 -56.7315 -30.9474 -30.9474 -30.9406 -30.9406 -23.1793 -23.1793 -23.1666 -23.1666 -23.0804 -23.0804 -23.0569 -23.0569 -1.0741 -1.0741 -0.6769 -0.6769 2.8141 2.8141 3.9347 3.9347 5.2394 5.2394 5.5143 5.5143 5.9403 5.9403 6.1292 6.1292 7.0197 7.0197 7.6538 7.6538 7.8877 7.8877 8.2172 8.2172 k =-0.1974 0.3023 0.7484 ( 4708 PWs) bands (ev): -56.7330 -56.7330 -56.7314 -56.7314 -30.9476 -30.9476 -30.9404 -30.9404 -23.1794 -23.1794 -23.1662 -23.1662 -23.0813 -23.0813 -23.0563 -23.0563 -1.0920 -1.0920 -0.6710 -0.6710 2.7645 2.7645 3.9903 3.9903 5.2403 5.2403 5.5683 5.5683 5.9247 5.9247 6.1012 6.1012 6.9992 6.9992 7.6374 7.6374 7.9168 7.9168 8.1904 8.1904 k =-0.2050 0.3139 0.7346 ( 4708 PWs) bands (ev): -56.7330 -56.7330 -56.7314 -56.7314 -30.9478 -30.9478 -30.9401 -30.9401 -23.1794 -23.1794 -23.1658 -23.1658 -23.0821 -23.0821 -23.0558 -23.0558 -1.1087 -1.1087 -0.6658 -0.6658 2.7182 2.7182 4.0487 4.0487 5.2381 5.2381 5.6196 5.6196 5.9130 5.9130 6.0710 6.0710 6.9766 6.9766 7.6205 7.6205 7.9461 7.9461 8.1627 8.1628 k =-0.2125 0.3254 0.7208 ( 4700 PWs) bands (ev): -56.7330 -56.7330 -56.7313 -56.7313 -30.9480 -30.9480 -30.9399 -30.9399 -23.1793 -23.1793 -23.1653 -23.1653 -23.0829 -23.0829 -23.0552 -23.0552 -1.1244 -1.1244 -0.6615 -0.6615 2.6750 2.6750 4.1095 4.1095 5.2329 5.2329 5.6660 5.6660 5.9071 5.9071 6.0393 6.0393 6.9523 6.9523 7.6033 7.6033 7.9734 7.9734 8.1357 8.1357 k =-0.2201 0.3370 0.7069 ( 4696 PWs) bands (ev): -56.7331 -56.7331 -56.7313 -56.7313 -30.9482 -30.9482 -30.9396 -30.9396 -23.1793 -23.1793 -23.1649 -23.1649 -23.0836 -23.0836 -23.0547 -23.0547 -1.1389 -1.1389 -0.6578 -0.6578 2.6352 2.6352 4.1724 4.1724 5.2249 5.2249 5.7038 5.7038 5.9099 5.9099 6.0067 6.0067 6.9269 6.9269 7.5856 7.5856 7.9949 7.9949 8.1118 8.1118 k =-0.2277 0.3486 0.6931 ( 4694 PWs) bands (ev): -56.7331 -56.7331 -56.7312 -56.7312 -30.9484 -30.9484 -30.9394 -30.9394 -23.1793 -23.1793 -23.1646 -23.1646 -23.0843 -23.0843 -23.0542 -23.0542 -1.1522 -1.1522 -0.6548 -0.6548 2.5986 2.5986 4.2371 4.2371 5.2142 5.2142 5.7291 5.7291 5.9224 5.9224 5.9762 5.9762 6.9012 6.9012 7.5677 7.5677 8.0046 8.0046 8.0967 8.0967 k =-0.2352 0.3602 0.6792 ( 4692 PWs) bands (ev): -56.7331 -56.7331 -56.7312 -56.7312 -30.9485 -30.9485 -30.9392 -30.9392 -23.1792 -23.1792 -23.1642 -23.1642 -23.0849 -23.0849 -23.0538 -23.0538 -1.1644 -1.1644 -0.6524 -0.6524 2.5654 2.5654 4.3034 4.3034 5.2006 5.2006 5.7413 5.7413 5.9225 5.9225 5.9705 5.9705 6.8758 6.8758 7.5493 7.5493 7.9974 7.9974 8.0955 8.0955 k =-0.2428 0.3718 0.6654 ( 4685 PWs) bands (ev): -56.7332 -56.7332 -56.7312 -56.7312 -30.9486 -30.9486 -30.9390 -30.9390 -23.1792 -23.1792 -23.1639 -23.1639 -23.0855 -23.0855 -23.0534 -23.0534 -1.1753 -1.1753 -0.6504 -0.6504 2.5356 2.5356 4.3707 4.3707 5.1839 5.1839 5.7442 5.7442 5.8938 5.8938 6.0022 6.0022 6.8515 6.8515 7.5306 7.5306 7.9784 7.9784 8.1034 8.1034 k =-0.2504 0.3834 0.6516 ( 4683 PWs) bands (ev): -56.7332 -56.7332 -56.7312 -56.7312 -30.9487 -30.9487 -30.9388 -30.9388 -23.1792 -23.1792 -23.1636 -23.1636 -23.0859 -23.0859 -23.0530 -23.0530 -1.1850 -1.1850 -0.6488 -0.6488 2.5093 2.5093 4.4386 4.4386 5.1640 5.1640 5.7418 5.7418 5.8612 5.8612 6.0424 6.0424 6.8289 6.8289 7.5117 7.5117 7.9557 7.9557 8.1131 8.1131 k =-0.2579 0.3949 0.6377 ( 4686 PWs) bands (ev): -56.7332 -56.7332 -56.7311 -56.7311 -30.9489 -30.9489 -30.9387 -30.9387 -23.1792 -23.1792 -23.1634 -23.1634 -23.0864 -23.0864 -23.0527 -23.0527 -1.1934 -1.1934 -0.6475 -0.6475 2.4864 2.4864 4.5067 4.5067 5.1403 5.1403 5.7366 5.7366 5.8298 5.8298 6.0835 6.0835 6.8086 6.8086 7.4929 7.4929 7.9333 7.9333 8.1219 8.1219 k =-0.2655 0.4065 0.6239 ( 4691 PWs) bands (ev): -56.7332 -56.7332 -56.7311 -56.7311 -30.9490 -30.9490 -30.9386 -30.9386 -23.1792 -23.1792 -23.1632 -23.1632 -23.0868 -23.0868 -23.0525 -23.0525 -1.2006 -1.2006 -0.6466 -0.6466 2.4670 2.4670 4.5743 4.5743 5.1126 5.1126 5.7300 5.7300 5.8016 5.8016 6.1224 6.1224 6.7909 6.7909 7.4747 7.4747 7.9128 7.9128 8.1289 8.1289 k =-0.2730 0.4181 0.6101 ( 4689 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9385 -30.9385 -23.1792 -23.1792 -23.1630 -23.1630 -23.0871 -23.0871 -23.0523 -23.0523 -1.2064 -1.2064 -0.6459 -0.6459 2.4511 2.4511 4.6407 4.6407 5.0805 5.0805 5.7222 5.7222 5.7783 5.7783 6.1571 6.1571 6.7761 6.7761 7.4579 7.4579 7.8953 7.8953 8.1341 8.1341 k =-0.2806 0.4297 0.5962 ( 4689 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9385 -30.9385 -23.1791 -23.1791 -23.1629 -23.1629 -23.0873 -23.0873 -23.0522 -23.0522 -1.2110 -1.2110 -0.6453 -0.6453 2.4387 2.4387 4.7051 4.7051 5.0439 5.0439 5.7134 5.7134 5.7613 5.7613 6.1859 6.1859 6.7645 6.7645 7.4433 7.4433 7.8813 7.8813 8.1378 8.1378 k =-0.2882 0.4413 0.5824 ( 4681 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9384 -30.9384 -23.1791 -23.1791 -23.1628 -23.1628 -23.0875 -23.0875 -23.0520 -23.0520 -1.2143 -1.2143 -0.6450 -0.6450 2.4298 2.4298 4.7661 4.7661 5.0034 5.0034 5.7049 5.7049 5.7507 5.7507 6.2076 6.2076 6.7562 6.7562 7.4320 7.4320 7.8711 7.8711 8.1402 8.1402 k =-0.2957 0.4529 0.5686 ( 4677 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9384 -30.9384 -23.1790 -23.1790 -23.1627 -23.1627 -23.0876 -23.0876 -23.0520 -23.0520 -1.2163 -1.2163 -0.6448 -0.6448 2.4245 2.4245 4.8199 4.8199 4.9622 4.9622 5.6986 5.6986 5.7451 5.7451 6.2210 6.2210 6.7512 6.7512 7.4248 7.4248 7.8650 7.8650 8.1416 8.1416 k =-0.3033 0.4645 0.5547 ( 4678 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9383 -30.9383 -23.1791 -23.1791 -23.1627 -23.1627 -23.0876 -23.0876 -23.0519 -23.0519 -1.2169 -1.2169 -0.6447 -0.6447 2.4228 2.4228 4.8487 4.8487 4.9376 4.9376 5.6963 5.6963 5.7434 5.7434 6.2256 6.2256 6.7495 6.7495 7.4223 7.4223 7.8629 7.8629 8.1420 8.1420 k =-0.3033 0.4645 0.5547 ( 4678 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9383 -30.9383 -23.1791 -23.1791 -23.1627 -23.1627 -23.0876 -23.0876 -23.0519 -23.0519 -1.2169 -1.2169 -0.6447 -0.6447 2.4228 2.4228 4.8487 4.8487 4.9376 4.9376 5.6963 5.6963 5.7434 5.7434 6.2256 6.2256 6.7495 6.7495 7.4223 7.4223 7.8629 7.8629 8.1420 8.1420 k =-0.2957 0.4528 0.5409 ( 4680 PWs) bands (ev): -56.7334 -56.7334 -56.7310 -56.7310 -30.9495 -30.9495 -30.9380 -30.9380 -23.1794 -23.1794 -23.1627 -23.1627 -23.0885 -23.0885 -23.0509 -23.0509 -1.2333 -1.2333 -0.6016 -0.6016 2.3998 2.3998 4.7820 4.7820 4.9272 4.9272 5.6930 5.6930 5.7908 5.7908 6.1925 6.1925 6.7698 6.7698 7.4686 7.4686 7.7856 7.7856 8.0931 8.0931 k =-0.2881 0.4412 0.5270 ( 4676 PWs) bands (ev): -56.7334 -56.7334 -56.7309 -56.7309 -30.9498 -30.9498 -30.9376 -30.9376 -23.1796 -23.1796 -23.1625 -23.1625 -23.0895 -23.0895 -23.0498 -23.0498 -1.2528 -1.2528 -0.5580 -0.5580 2.3846 2.3846 4.7176 4.7176 4.9190 4.9190 5.6749 5.6749 5.8554 5.8554 6.1618 6.1618 6.7900 6.7900 7.5128 7.5128 7.7082 7.7082 8.0434 8.0434 k =-0.2806 0.4296 0.5131 ( 4682 PWs) bands (ev): -56.7335 -56.7335 -56.7308 -56.7308 -30.9502 -30.9502 -30.9373 -30.9373 -23.1800 -23.1800 -23.1625 -23.1625 -23.0905 -23.0905 -23.0487 -23.0487 -1.2751 -1.2751 -0.5141 -0.5141 2.3772 2.3772 4.6565 4.6565 4.9128 4.9128 5.6549 5.6549 5.9225 5.9225 6.1343 6.1343 6.8101 6.8101 7.5528 7.5528 7.6326 7.6326 7.9937 7.9937 k =-0.2730 0.4180 0.4992 ( 4676 PWs) bands (ev): -56.7336 -56.7336 -56.7308 -56.7308 -30.9506 -30.9506 -30.9369 -30.9369 -23.1802 -23.1802 -23.1623 -23.1623 -23.0915 -23.0915 -23.0476 -23.0476 -1.3004 -1.3004 -0.4701 -0.4701 2.3775 2.3775 4.5990 4.5990 4.9086 4.9086 5.6345 5.6345 5.9879 5.9879 6.1123 6.1123 6.8298 6.8298 7.5478 7.5478 7.5988 7.5988 7.9457 7.9457 k =-0.2654 0.4064 0.4854 ( 4676 PWs) bands (ev): -56.7337 -56.7337 -56.7307 -56.7307 -30.9510 -30.9510 -30.9365 -30.9365 -23.1805 -23.1805 -23.1621 -23.1621 -23.0925 -23.0925 -23.0465 -23.0465 -1.3284 -1.3284 -0.4263 -0.4263 2.3855 2.3855 4.5457 4.5457 4.9065 4.9065 5.6138 5.6138 6.0360 6.0360 6.1106 6.1106 6.8489 6.8489 7.4767 7.4767 7.6255 7.6255 7.9025 7.9025 k =-0.2578 0.3948 0.4715 ( 4676 PWs) bands (ev): -56.7337 -56.7337 -56.7306 -56.7306 -30.9514 -30.9514 -30.9361 -30.9361 -23.1808 -23.1808 -23.1619 -23.1619 -23.0936 -23.0936 -23.0453 -23.0453 -1.3591 -1.3591 -0.3826 -0.3826 2.4009 2.4009 4.4967 4.4967 4.9065 4.9065 5.5929 5.5929 6.0380 6.0380 6.1573 6.1573 6.8672 6.8672 7.4049 7.4049 7.6418 7.6418 7.8700 7.8700 k =-0.2502 0.3832 0.4576 ( 4680 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9518 -30.9518 -30.9357 -30.9357 -23.1811 -23.1811 -23.1617 -23.1617 -23.0946 -23.0946 -23.0443 -23.0443 -1.3921 -1.3921 -0.3394 -0.3394 2.4235 2.4235 4.4524 4.4524 4.9086 4.9086 5.5717 5.5717 6.0225 6.0225 6.2232 6.2232 6.8842 6.8842 7.3355 7.3355 7.6370 7.6370 7.8564 7.8564 k =-0.2426 0.3716 0.4438 ( 4668 PWs) bands (ev): -56.7339 -56.7339 -56.7304 -56.7304 -30.9521 -30.9521 -30.9353 -30.9353 -23.1812 -23.1812 -23.1614 -23.1614 -23.0956 -23.0956 -23.0432 -23.0432 -1.4272 -1.4272 -0.2968 -0.2968 2.4532 2.4532 4.4130 4.4130 4.9128 4.9128 5.5502 5.5502 6.0055 6.0055 6.2921 6.2921 6.8994 6.8994 7.2696 7.2696 7.6092 7.6092 7.8635 7.8635 k =-0.2351 0.3600 0.4299 ( 4668 PWs) bands (ev): -56.7340 -56.7340 -56.7303 -56.7303 -30.9524 -30.9524 -30.9350 -30.9350 -23.1814 -23.1814 -23.1611 -23.1611 -23.0967 -23.0967 -23.0421 -23.0421 -1.4642 -1.4642 -0.2550 -0.2550 2.4895 2.4895 4.3788 4.3788 4.9191 4.9191 5.5283 5.5283 5.9894 5.9894 6.3608 6.3608 6.9116 6.9116 7.2084 7.2084 7.5660 7.5660 7.8836 7.8836 k =-0.2275 0.3483 0.4160 ( 4680 PWs) bands (ev): -56.7341 -56.7341 -56.7303 -56.7303 -30.9529 -30.9529 -30.9346 -30.9346 -23.1817 -23.1817 -23.1608 -23.1608 -23.0979 -23.0979 -23.0410 -23.0410 -1.5028 -1.5028 -0.2141 -0.2141 2.5324 2.5324 4.3499 4.3499 4.9274 4.9274 5.5058 5.5058 5.9749 5.9749 6.4283 6.4283 6.9191 6.9191 7.1537 7.1537 7.5149 7.5149 7.9093 7.9093 k =-0.2199 0.3367 0.4022 ( 4674 PWs) bands (ev): -56.7342 -56.7342 -56.7302 -56.7302 -30.9532 -30.9532 -30.9342 -30.9342 -23.1819 -23.1819 -23.1605 -23.1605 -23.0990 -23.0990 -23.0400 -23.0400 -1.5427 -1.5427 -0.1744 -0.1744 2.5814 2.5814 4.3265 4.3265 4.9378 4.9378 5.4829 5.4829 5.9620 5.9620 6.4938 6.4938 6.9186 6.9186 7.1088 7.1088 7.4602 7.4602 7.9366 7.9366 k =-0.2123 0.3251 0.3883 ( 4674 PWs) bands (ev): -56.7342 -56.7342 -56.7301 -56.7301 -30.9536 -30.9536 -30.9339 -30.9339 -23.1821 -23.1821 -23.1600 -23.1600 -23.1002 -23.1002 -23.0389 -23.0389 -1.5837 -1.5837 -0.1361 -0.1361 2.6363 2.6363 4.3089 4.3089 4.9503 4.9503 5.4594 5.4594 5.9509 5.9509 6.5568 6.5568 6.9060 6.9060 7.0773 7.0773 7.4041 7.4041 7.9635 7.9635 k =-0.2047 0.3135 0.3744 ( 4666 PWs) bands (ev): -56.7343 -56.7343 -56.7300 -56.7300 -30.9539 -30.9539 -30.9334 -30.9334 -23.1823 -23.1823 -23.1596 -23.1596 -23.1013 -23.1013 -23.0378 -23.0378 -1.6253 -1.6253 -0.0992 -0.0992 2.6968 2.6968 4.2971 4.2971 4.9648 4.9648 5.4353 5.4353 5.9416 5.9416 6.6167 6.6167 6.8801 6.8801 7.0601 7.0601 7.3486 7.3486 7.9888 7.9888 k =-0.1971 0.3019 0.3606 ( 4664 PWs) bands (ev): -56.7344 -56.7344 -56.7300 -56.7300 -30.9542 -30.9542 -30.9331 -30.9331 -23.1825 -23.1825 -23.1591 -23.1591 -23.1024 -23.1024 -23.0368 -23.0368 -1.6675 -1.6675 -0.0639 -0.0639 2.7625 2.7625 4.2913 4.2913 4.9813 4.9813 5.4107 5.4107 5.9339 5.9339 6.6727 6.6727 6.8453 6.8453 7.0516 7.0516 7.2955 7.2955 8.0116 8.0116 k =-0.1896 0.2903 0.3467 ( 4656 PWs) bands (ev): -56.7344 -56.7344 -56.7299 -56.7299 -30.9545 -30.9545 -30.9326 -30.9326 -23.1827 -23.1827 -23.1586 -23.1586 -23.1036 -23.1036 -23.0357 -23.0357 -1.7099 -1.7099 -0.0305 -0.0305 2.8332 2.8332 4.2915 4.2915 4.9997 4.9997 5.3855 5.3855 5.9279 5.9279 6.7241 6.7241 6.8070 6.8070 7.0447 7.0447 7.2475 7.2475 8.0311 8.0311 k =-0.1820 0.2787 0.3328 ( 4664 PWs) bands (ev): -56.7345 -56.7345 -56.7298 -56.7298 -30.9549 -30.9549 -30.9323 -30.9323 -23.1829 -23.1829 -23.1581 -23.1581 -23.1048 -23.1048 -23.0348 -23.0348 -1.7522 -1.7522 0.0011 0.0011 2.9086 2.9086 4.2979 4.2979 5.0199 5.0199 5.3598 5.3598 5.9236 5.9236 6.7606 6.7606 6.7776 6.7776 7.0332 7.0332 7.2086 7.2086 8.0465 8.0465 k =-0.1744 0.2671 0.3190 ( 4670 PWs) bands (ev): -56.7346 -56.7346 -56.7297 -56.7297 -30.9553 -30.9553 -30.9320 -30.9320 -23.1831 -23.1831 -23.1576 -23.1576 -23.1060 -23.1060 -23.0338 -23.0338 -1.7943 -1.7943 0.0308 0.0308 2.9884 2.9884 4.3105 4.3105 5.0420 5.0420 5.3337 5.3337 5.9207 5.9207 6.7282 6.7282 6.8109 6.8109 7.0138 7.0138 7.1823 7.1823 8.0565 8.0565 k =-0.1668 0.2555 0.3051 ( 4674 PWs) bands (ev): -56.7347 -56.7347 -56.7297 -56.7297 -30.9556 -30.9556 -30.9317 -30.9317 -23.1832 -23.1832 -23.1570 -23.1570 -23.1072 -23.1072 -23.0329 -23.0329 -1.8360 -1.8360 0.0584 0.0584 3.0723 3.0723 4.3293 4.3293 5.0659 5.0659 5.3074 5.3074 5.9193 5.9193 6.6926 6.6926 6.8370 6.8370 6.9907 6.9907 7.1684 7.1684 8.0601 8.0601 k =-0.1592 0.2438 0.2912 ( 4674 PWs) bands (ev): -56.7347 -56.7347 -56.7296 -56.7296 -30.9559 -30.9559 -30.9313 -30.9313 -23.1834 -23.1834 -23.1563 -23.1563 -23.1085 -23.1085 -23.0320 -23.0320 -1.8769 -1.8769 0.0839 0.0839 3.1601 3.1601 4.3542 4.3542 5.0914 5.0914 5.2809 5.2809 5.9192 5.9192 6.6590 6.6590 6.8411 6.8411 6.9777 6.9777 7.1628 7.1628 8.0557 8.0557 k =-0.1517 0.2322 0.2774 ( 4674 PWs) bands (ev): -56.7348 -56.7348 -56.7295 -56.7295 -30.9562 -30.9562 -30.9310 -30.9310 -23.1835 -23.1835 -23.1557 -23.1557 -23.1097 -23.1097 -23.0312 -23.0312 -1.9170 -1.9170 0.1074 0.1074 3.2514 3.2514 4.3851 4.3851 5.1185 5.1185 5.2546 5.2546 5.9204 5.9204 6.6278 6.6278 6.8180 6.8180 6.9833 6.9833 7.1614 7.1614 8.0415 8.0415 k =-0.1441 0.2206 0.2635 ( 4670 PWs) bands (ev): -56.7349 -56.7349 -56.7295 -56.7295 -30.9565 -30.9565 -30.9306 -30.9306 -23.1836 -23.1836 -23.1550 -23.1550 -23.1109 -23.1109 -23.0303 -23.0303 -1.9560 -1.9560 0.1288 0.1288 3.3461 3.3461 4.4221 4.4221 5.1469 5.1469 5.2287 5.2287 5.9227 5.9227 6.5990 6.5990 6.7789 6.7789 6.9989 6.9989 7.1616 7.1616 8.0158 8.0158 k =-0.1365 0.2090 0.2496 ( 4674 PWs) bands (ev): -56.7349 -56.7349 -56.7294 -56.7294 -30.9568 -30.9568 -30.9303 -30.9303 -23.1838 -23.1838 -23.1543 -23.1543 -23.1121 -23.1121 -23.0295 -23.0295 -1.9938 -1.9938 0.1481 0.1481 3.4438 3.4438 4.4648 4.4648 5.1762 5.1762 5.2039 5.2039 5.9260 5.9260 6.5725 6.5725 6.7336 6.7336 7.0159 7.0159 7.1620 7.1620 7.9772 7.9772 k =-0.1289 0.1974 0.2358 ( 4656 PWs) bands (ev): -56.7350 -56.7350 -56.7293 -56.7293 -30.9570 -30.9570 -30.9299 -30.9299 -23.1838 -23.1838 -23.1534 -23.1534 -23.1132 -23.1132 -23.0287 -23.0287 -2.0303 -2.0303 0.1655 0.1655 3.5442 3.5442 4.5132 4.5132 5.1776 5.1776 5.2091 5.2091 5.9303 5.9303 6.5482 6.5482 6.6865 6.6865 7.0307 7.0307 7.1618 7.1618 7.9248 7.9248 k =-0.1213 0.1858 0.2219 ( 4654 PWs) bands (ev): -56.7350 -56.7350 -56.7293 -56.7293 -30.9572 -30.9572 -30.9297 -30.9297 -23.1839 -23.1839 -23.1526 -23.1526 -23.1144 -23.1144 -23.0279 -23.0279 -2.0653 -2.0653 0.1810 0.1810 3.6469 3.6469 4.5670 4.5670 5.1548 5.1548 5.2407 5.2407 5.9354 5.9354 6.5258 6.5258 6.6396 6.6396 7.0418 7.0418 7.1604 7.1604 7.8586 7.8586 k =-0.1137 0.1742 0.2080 ( 4660 PWs) bands (ev): -56.7351 -56.7351 -56.7292 -56.7292 -30.9574 -30.9574 -30.9295 -30.9295 -23.1840 -23.1840 -23.1519 -23.1519 -23.1156 -23.1156 -23.0273 -23.0273 -2.0987 -2.0987 0.1947 0.1947 3.7515 3.7515 4.6258 4.6258 5.1332 5.1332 5.2736 5.2736 5.9411 5.9411 6.5051 6.5051 6.5939 6.5939 7.0487 7.0487 7.1575 7.1575 7.7797 7.7797 k =-0.1062 0.1626 0.1942 ( 4654 PWs) bands (ev): -56.7351 -56.7351 -56.7292 -56.7292 -30.9576 -30.9576 -30.9292 -30.9292 -23.1840 -23.1840 -23.1511 -23.1511 -23.1168 -23.1168 -23.0266 -23.0266 -2.1304 -2.1304 0.2068 0.2068 3.8576 3.8576 4.6894 4.6894 5.1136 5.1136 5.3073 5.3073 5.9473 5.9473 6.4855 6.4855 6.5503 6.5503 7.0507 7.0507 7.1527 7.1527 7.6895 7.6895 k =-0.0986 0.1509 0.1803 ( 4660 PWs) bands (ev): -56.7352 -56.7352 -56.7291 -56.7291 -30.9578 -30.9578 -30.9290 -30.9290 -23.1841 -23.1841 -23.1503 -23.1503 -23.1180 -23.1180 -23.0260 -23.0260 -2.1603 -2.1603 0.2172 0.2172 3.9644 3.9644 4.7574 4.7574 5.0968 5.0968 5.3413 5.3413 5.9538 5.9538 6.4655 6.4655 6.5102 6.5102 7.0476 7.0476 7.1459 7.1459 7.5903 7.5903 k =-0.0910 0.1393 0.1664 ( 4656 PWs) bands (ev): -56.7352 -56.7352 -56.7291 -56.7291 -30.9580 -30.9580 -30.9288 -30.9288 -23.1841 -23.1841 -23.1494 -23.1494 -23.1191 -23.1191 -23.0254 -23.0254 -2.1883 -2.1883 0.2262 0.2262 4.0711 4.0711 4.8294 4.8294 5.0836 5.0836 5.3756 5.3756 5.9606 5.9606 6.4413 6.4413 6.4775 6.4775 7.0387 7.0387 7.1369 7.1369 7.4844 7.4844 k =-0.0834 0.1277 0.1525 ( 4654 PWs) bands (ev): -56.7353 -56.7353 -56.7290 -56.7290 -30.9581 -30.9581 -30.9286 -30.9286 -23.1842 -23.1842 -23.1486 -23.1486 -23.1203 -23.1203 -23.0248 -23.0248 -2.2144 -2.2144 0.2339 0.2339 4.1765 4.1765 4.9048 4.9048 5.0750 5.0750 5.4097 5.4097 5.9674 5.9674 6.4097 6.4097 6.4553 6.4553 7.0230 7.0230 7.1257 7.1257 7.3745 7.3745 k =-0.0758 0.1161 0.1387 ( 4660 PWs) bands (ev): -56.7353 -56.7353 -56.7290 -56.7290 -30.9583 -30.9583 -30.9284 -30.9284 -23.1843 -23.1843 -23.1478 -23.1478 -23.1214 -23.1214 -23.0244 -23.0244 -2.2384 -2.2384 0.2405 0.2405 4.2788 4.2788 4.9831 4.9831 5.0729 5.0729 5.4433 5.4433 5.9740 5.9740 6.3745 6.3745 6.4395 6.4395 6.9985 6.9985 7.1118 7.1118 7.2650 7.2650 k =-0.0682 0.1045 0.1248 ( 4656 PWs) bands (ev): -56.7354 -56.7354 -56.7290 -56.7290 -30.9584 -30.9584 -30.9282 -30.9282 -23.1843 -23.1843 -23.1469 -23.1469 -23.1225 -23.1225 -23.0239 -23.0239 -2.2603 -2.2603 0.2460 0.2460 4.3755 4.3755 5.0635 5.0635 5.0796 5.0796 5.4762 5.4762 5.9803 5.9803 6.3389 6.3389 6.4263 6.4263 6.9602 6.9602 7.0922 7.0922 7.1658 7.1658 k =-0.0607 0.0929 0.1109 ( 4666 PWs) bands (ev): -56.7354 -56.7354 -56.7289 -56.7289 -30.9586 -30.9586 -30.9281 -30.9281 -23.1844 -23.1844 -23.1461 -23.1461 -23.1237 -23.1237 -23.0235 -23.0235 -2.2800 -2.2800 0.2505 0.2505 4.4632 4.4632 5.0980 5.0980 5.1456 5.1456 5.5079 5.5079 5.9861 5.9861 6.3040 6.3040 6.4141 6.4141 6.8983 6.8983 7.0496 7.0496 7.1062 7.1062 k =-0.0531 0.0813 0.0971 ( 4662 PWs) bands (ev): -56.7354 -56.7354 -56.7289 -56.7289 -30.9587 -30.9587 -30.9279 -30.9279 -23.1844 -23.1844 -23.1452 -23.1452 -23.1247 -23.1247 -23.0231 -23.0231 -2.2975 -2.2975 0.2542 0.2542 4.5381 4.5381 5.1320 5.1320 5.2278 5.2278 5.5380 5.5380 5.9911 5.9911 6.2696 6.2696 6.4017 6.4017 6.8085 6.8085 6.9946 6.9946 7.0832 7.0832 k =-0.0455 0.0697 0.0832 ( 4667 PWs) bands (ev): -56.7354 -56.7354 -56.7289 -56.7289 -30.9589 -30.9589 -30.9278 -30.9278 -23.1845 -23.1845 -23.1444 -23.1444 -23.1257 -23.1257 -23.0228 -23.0228 -2.3128 -2.3128 0.2572 0.2572 4.5970 4.5970 5.1842 5.1842 5.3090 5.3090 5.5664 5.5664 5.9950 5.9950 6.2358 6.2358 6.3871 6.3871 6.7039 6.7039 6.9485 6.9485 7.0671 7.0671 k =-0.0379 0.0581 0.0693 ( 4667 PWs) bands (ev): -56.7355 -56.7355 -56.7289 -56.7289 -30.9590 -30.9590 -30.9276 -30.9276 -23.1846 -23.1846 -23.1436 -23.1436 -23.1266 -23.1266 -23.0225 -23.0225 -2.3258 -2.3258 0.2596 0.2596 4.6396 4.6396 5.2542 5.2542 5.3873 5.3873 5.5928 5.5928 5.9973 5.9973 6.2023 6.2023 6.3654 6.3654 6.6008 6.6008 6.9079 6.9079 7.0532 7.0532 k =-0.0303 0.0464 0.0555 ( 4667 PWs) bands (ev): -56.7355 -56.7355 -56.7289 -56.7289 -30.9592 -30.9592 -30.9275 -30.9275 -23.1846 -23.1846 -23.1429 -23.1429 -23.1274 -23.1274 -23.0223 -23.0223 -2.3364 -2.3364 0.2614 0.2614 4.6681 4.6681 5.3385 5.3385 5.4597 5.4597 5.6178 5.6178 5.9969 5.9969 6.1693 6.1693 6.3254 6.3254 6.5169 6.5169 6.8717 6.8717 7.0412 7.0412 k =-0.0227 0.0348 0.0416 ( 4663 PWs) bands (ev): -56.7355 -56.7355 -56.7289 -56.7289 -30.9593 -30.9593 -30.9273 -30.9273 -23.1847 -23.1847 -23.1422 -23.1422 -23.1281 -23.1281 -23.0220 -23.0220 -2.3448 -2.3448 0.2628 0.2628 4.6861 4.6861 5.4315 5.4315 5.5217 5.5217 5.6429 5.6429 5.9919 5.9919 6.1378 6.1378 6.2576 6.2576 6.4674 6.4674 6.8407 6.8407 7.0313 7.0313 k =-0.0152 0.0232 0.0277 ( 4663 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9593 -30.9593 -30.9273 -30.9273 -23.1847 -23.1847 -23.1418 -23.1418 -23.1286 -23.1286 -23.0219 -23.0219 -2.3507 -2.3507 0.2637 0.2637 4.6967 4.6967 5.5245 5.5245 5.5669 5.5669 5.6702 5.6702 5.9778 5.9778 6.1104 6.1104 6.1789 6.1789 6.4449 6.4449 6.8167 6.8167 7.0239 7.0239 k =-0.0076 0.0116 0.0139 ( 4663 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9593 -30.9593 -30.9273 -30.9273 -23.1847 -23.1847 -23.1414 -23.1414 -23.1290 -23.1290 -23.0219 -23.0219 -2.3543 -2.3543 0.2643 0.2643 4.7023 4.7023 5.5908 5.5908 5.6031 5.6031 5.6982 5.6982 5.9504 5.9504 6.0905 6.0905 6.1208 6.1208 6.4353 6.4353 6.8014 6.8014 7.0193 7.0193 k = 0.0000 0.0000 0.0000 ( 4653 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9593 -30.9593 -30.9272 -30.9272 -23.1846 -23.1846 -23.1413 -23.1413 -23.1291 -23.1291 -23.0218 -23.0218 -2.3555 -2.3555 0.2645 0.2645 4.7040 4.7040 5.5988 5.5988 5.6347 5.6347 5.7136 5.7136 5.9306 5.9306 6.0817 6.0817 6.1024 6.1024 6.4326 6.4326 6.7961 6.7961 7.0177 7.0177 k = 0.0000 0.0000 0.0000 ( 4653 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9593 -30.9593 -30.9272 -30.9272 -23.1846 -23.1846 -23.1413 -23.1413 -23.1291 -23.1291 -23.0218 -23.0218 -2.3555 -2.3555 0.2645 0.2645 4.7040 4.7040 5.5988 5.5988 5.6347 5.6347 5.7136 5.7136 5.9306 5.9306 6.0817 6.0817 6.1024 6.1024 6.4326 6.4326 6.7961 6.7961 7.0177 7.0177 k = 0.0167 0.0109-0.0000 ( 4641 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9592 -30.9592 -30.9271 -30.9271 -23.1846 -23.1846 -23.1414 -23.1414 -23.1289 -23.1289 -23.0218 -23.0218 -2.3542 -2.3542 0.2615 0.2615 4.7074 4.7074 5.5989 5.5989 5.6212 5.6212 5.7075 5.7075 5.9343 5.9343 6.1003 6.1003 6.1022 6.1022 6.4267 6.4267 6.7991 6.7991 7.0187 7.0187 k = 0.0333 0.0218-0.0000 ( 4657 PWs) bands (ev): -56.7355 -56.7355 -56.7288 -56.7288 -30.9592 -30.9592 -30.9273 -30.9273 -23.1846 -23.1846 -23.1418 -23.1418 -23.1285 -23.1285 -23.0221 -23.0221 -2.3502 -2.3502 0.2527 0.2527 4.7175 4.7175 5.5814 5.5814 5.5991 5.5991 5.6977 5.6977 5.9415 5.9415 6.1018 6.1018 6.1508 6.1508 6.4099 6.4099 6.8076 6.8076 7.0217 7.0217 k = 0.0500 0.0327-0.0000 ( 4661 PWs) bands (ev): -56.7355 -56.7355 -56.7289 -56.7289 -30.9592 -30.9592 -30.9274 -30.9274 -23.1845 -23.1845 -23.1423 -23.1423 -23.1278 -23.1278 -23.0224 -23.0224 -2.3437 -2.3437 0.2380 0.2380 4.7339 4.7339 5.5239 5.5239 5.5993 5.5993 5.6898 5.6898 5.9489 5.9489 6.1011 6.1011 6.2221 6.2221 6.3836 6.3836 6.8208 6.8208 7.0268 7.0268 k = 0.0667 0.0435-0.0000 ( 4682 PWs) bands (ev): -56.7354 -56.7354 -56.7289 -56.7289 -30.9590 -30.9590 -30.9278 -30.9278 -23.1844 -23.1844 -23.1431 -23.1431 -23.1268 -23.1268 -23.0230 -23.0230 -2.3345 -2.3345 0.2178 0.2178 4.7564 4.7564 5.4584 5.4584 5.5995 5.5995 5.6827 5.6827 5.9567 5.9567 6.1004 6.1004 6.3055 6.3055 6.3499 6.3499 6.8375 6.8375 7.0341 7.0341 k = 0.0833 0.0544-0.0000 ( 4686 PWs) bands (ev): -56.7354 -56.7354 -56.7290 -56.7290 -30.9589 -30.9589 -30.9280 -30.9280 -23.1842 -23.1842 -23.1439 -23.1439 -23.1257 -23.1257 -23.0237 -23.0237 -2.3228 -2.3228 0.1922 0.1922 4.7843 4.7843 5.3903 5.3903 5.5995 5.5995 5.6753 5.6753 5.9654 5.9654 6.0999 6.0999 6.3109 6.3109 6.3960 6.3960 6.8570 6.8570 7.0437 7.0437 k = 0.1000 0.0653-0.0000 ( 4654 PWs) bands (ev): -56.7353 -56.7353 -56.7290 -56.7290 -30.9584 -30.9584 -30.9281 -30.9281 -23.1838 -23.1838 -23.1446 -23.1446 -23.1243 -23.1243 -23.0243 -23.0243 -2.3084 -2.3084 0.1615 0.1615 4.8167 4.8167 5.3221 5.3221 5.5992 5.5992 5.6670 5.6670 5.9756 5.9756 6.0997 6.0997 6.2688 6.2688 6.4906 6.4906 6.8788 6.8788 7.0558 7.0558 k = 0.1167 0.0762-0.0000 ( 4654 PWs) bands (ev): -56.7353 -56.7353 -56.7290 -56.7290 -30.9582 -30.9582 -30.9284 -30.9284 -23.1835 -23.1835 -23.1454 -23.1454 -23.1229 -23.1229 -23.0252 -23.0252 -2.2915 -2.2915 0.1260 0.1260 4.8525 4.8525 5.2552 5.2552 5.5983 5.5983 5.6577 5.6577 5.9872 5.9872 6.1000 6.1000 6.2259 6.2259 6.5876 6.5876 6.9028 6.9028 7.0709 7.0709 k = 0.1333 0.0871-0.0000 ( 4654 PWs) bands (ev): -56.7352 -56.7352 -56.7291 -56.7291 -30.9578 -30.9578 -30.9287 -30.9287 -23.1831 -23.1831 -23.1463 -23.1463 -23.1214 -23.1214 -23.0261 -23.0261 -2.2721 -2.2721 0.0860 0.0860 4.8905 4.8905 5.1903 5.1903 5.5968 5.5968 5.6476 5.6476 6.0005 6.0005 6.1004 6.1004 6.1849 6.1849 6.6849 6.6849 6.9288 6.9288 7.0898 7.0898 k = 0.1500 0.0980-0.0000 ( 4662 PWs) bands (ev): -56.7352 -56.7352 -56.7292 -56.7292 -30.9575 -30.9575 -30.9292 -30.9292 -23.1828 -23.1828 -23.1473 -23.1473 -23.1198 -23.1198 -23.0273 -23.0273 -2.2501 -2.2501 0.0420 0.0420 4.9288 4.9288 5.1279 5.1279 5.5945 5.5945 5.6365 5.6365 6.0155 6.0155 6.0991 6.0991 6.1505 6.1505 6.7805 6.7805 6.9569 6.9569 7.1138 7.1138 k = 0.1667 0.1088-0.0000 ( 4662 PWs) bands (ev): -56.7351 -56.7351 -56.7293 -56.7293 -30.9571 -30.9571 -30.9296 -30.9296 -23.1823 -23.1823 -23.1482 -23.1482 -23.1181 -23.1181 -23.0286 -23.0286 -2.2257 -2.2257 -0.0059 -0.0059 4.9654 4.9654 5.0684 5.0684 5.5912 5.5912 5.6247 5.6247 6.0321 6.0321 6.0890 6.0890 6.1324 6.1324 6.8707 6.8707 6.9872 6.9872 7.1457 7.1457 k = 0.1833 0.1197-0.0000 ( 4658 PWs) bands (ev): -56.7350 -56.7350 -56.7294 -56.7294 -30.9566 -30.9566 -30.9300 -30.9300 -23.1819 -23.1819 -23.1491 -23.1491 -23.1162 -23.1162 -23.0299 -23.0299 -2.1987 -2.1987 -0.0571 -0.0571 4.9980 4.9980 5.0119 5.0119 5.5870 5.5870 5.6124 5.6124 6.0502 6.0502 6.0716 6.0716 6.1321 6.1321 6.9507 6.9507 7.0198 7.0198 7.1895 7.1895 k = 0.2000 0.1306-0.0000 ( 4670 PWs) bands (ev): -56.7349 -56.7349 -56.7295 -56.7295 -30.9562 -30.9562 -30.9305 -30.9305 -23.1814 -23.1814 -23.1501 -23.1501 -23.1145 -23.1145 -23.0314 -23.0314 -2.1694 -2.1694 -0.1113 -0.1113 4.9587 4.9587 5.0238 5.0238 5.5818 5.5818 5.5996 5.5996 6.0599 6.0599 6.0698 6.0698 6.1396 6.1396 7.0156 7.0156 7.0547 7.0547 7.2492 7.2492 k = 0.2167 0.1415-0.0000 ( 4670 PWs) bands (ev): -56.7348 -56.7348 -56.7296 -56.7296 -30.9557 -30.9557 -30.9310 -30.9310 -23.1809 -23.1809 -23.1510 -23.1510 -23.1125 -23.1125 -23.0330 -23.0330 -2.1376 -2.1376 -0.1682 -0.1682 4.9088 4.9088 5.0408 5.0408 5.5756 5.5756 5.5866 5.5866 6.0602 6.0602 6.0907 6.0907 6.1511 6.1511 7.0653 7.0653 7.0922 7.0922 7.3235 7.3235 k = 0.2333 0.1524-0.0000 ( 4670 PWs) bands (ev): -56.7347 -56.7347 -56.7297 -56.7297 -30.9552 -30.9552 -30.9316 -30.9316 -23.1803 -23.1803 -23.1519 -23.1519 -23.1105 -23.1105 -23.0347 -23.0347 -2.1035 -2.1035 -0.2274 -0.2274 4.8623 4.8623 5.0473 5.0473 5.5684 5.5684 5.5735 5.5735 6.0747 6.0747 6.1128 6.1128 6.1658 6.1658 7.1046 7.1046 7.1323 7.1323 7.4063 7.4063 k = 0.2500 0.1633-0.0000 ( 4678 PWs) bands (ev): -56.7345 -56.7345 -56.7298 -56.7298 -30.9547 -30.9547 -30.9321 -30.9321 -23.1798 -23.1798 -23.1529 -23.1529 -23.1085 -23.1085 -23.0365 -23.0365 -2.0671 -2.0671 -0.2887 -0.2887 4.8194 4.8194 5.0431 5.0431 5.5604 5.5604 5.5605 5.5605 6.1033 6.1033 6.1360 6.1360 6.1842 6.1842 7.1383 7.1383 7.1751 7.1751 7.4908 7.4908 k = 0.2667 0.1741-0.0000 ( 4686 PWs) bands (ev): -56.7344 -56.7344 -56.7300 -56.7300 -30.9542 -30.9542 -30.9328 -30.9328 -23.1792 -23.1792 -23.1539 -23.1539 -23.1064 -23.1064 -23.0384 -23.0384 -2.0284 -2.0284 -0.3517 -0.3517 4.7800 4.7800 5.0291 5.0291 5.5478 5.5478 5.5517 5.5517 6.1427 6.1427 6.1599 6.1599 6.2083 6.2083 7.1694 7.1694 7.2208 7.2208 7.5719 7.5719 k = 0.2833 0.1850-0.0000 ( 4698 PWs) bands (ev): -56.7343 -56.7343 -56.7301 -56.7301 -30.9537 -30.9537 -30.9334 -30.9334 -23.1785 -23.1785 -23.1548 -23.1548 -23.1043 -23.1043 -23.0404 -23.0404 -1.9876 -1.9876 -0.4161 -0.4161 4.7443 4.7443 5.0070 5.0070 5.5354 5.5354 5.5424 5.5424 6.1837 6.1837 6.1845 6.1845 6.2454 6.2454 7.1994 7.1994 7.2696 7.2696 7.6453 7.6453 k = 0.3000 0.1959-0.0000 ( 4698 PWs) bands (ev): -56.7342 -56.7342 -56.7302 -56.7302 -30.9530 -30.9530 -30.9341 -30.9341 -23.1778 -23.1778 -23.1558 -23.1558 -23.1020 -23.1020 -23.0425 -23.0425 -1.9445 -1.9445 -0.4817 -0.4817 4.7123 4.7123 4.9787 4.9787 5.5235 5.5235 5.5328 5.5328 6.2094 6.2094 6.2160 6.2160 6.3032 6.3032 7.2291 7.2291 7.3215 7.3215 7.7073 7.7073 k = 0.3167 0.2068-0.0000 ( 4698 PWs) bands (ev): -56.7340 -56.7340 -56.7304 -56.7304 -30.9523 -30.9523 -30.9348 -30.9348 -23.1771 -23.1771 -23.1568 -23.1568 -23.0997 -23.0997 -23.0446 -23.0446 -1.8994 -1.8994 -0.5483 -0.5483 4.6841 4.6841 4.9463 4.9463 5.5122 5.5122 5.5231 5.5231 6.2344 6.2344 6.2421 6.2421 6.3764 6.3764 7.2590 7.2590 7.3767 7.3767 7.7549 7.7549 k = 0.3333 0.2177-0.0000 ( 4702 PWs) bands (ev): -56.7339 -56.7339 -56.7305 -56.7305 -30.9517 -30.9517 -30.9355 -30.9355 -23.1764 -23.1764 -23.1577 -23.1577 -23.0974 -23.0974 -23.0468 -23.0468 -1.8522 -1.8522 -0.6155 -0.6155 4.6596 4.6596 4.9114 4.9114 5.5017 5.5017 5.5134 5.5134 6.2592 6.2592 6.2660 6.2660 6.4587 6.4587 7.2890 7.2890 7.4355 7.4355 7.7862 7.7862 k = 0.3500 0.2286-0.0000 ( 4702 PWs) bands (ev): -56.7337 -56.7337 -56.7307 -56.7307 -30.9509 -30.9509 -30.9363 -30.9363 -23.1755 -23.1755 -23.1587 -23.1587 -23.0949 -23.0949 -23.0491 -23.0491 -1.8030 -1.8030 -0.6832 -0.6832 4.6389 4.6389 4.8755 4.8755 5.4921 5.4921 5.5040 5.5040 6.2834 6.2834 6.2888 6.2888 6.5467 6.5467 7.3191 7.3191 7.4980 7.4980 7.8008 7.8008 k = 0.3667 0.2394-0.0000 ( 4702 PWs) bands (ev): -56.7336 -56.7336 -56.7308 -56.7308 -30.9501 -30.9501 -30.9370 -30.9370 -23.1747 -23.1747 -23.1597 -23.1597 -23.0924 -23.0924 -23.0515 -23.0515 -1.7520 -1.7520 -0.7512 -0.7512 4.6220 4.6220 4.8395 4.8395 5.4833 5.4833 5.4950 5.4950 6.3066 6.3066 6.3108 6.3108 6.6380 6.6380 7.3492 7.3492 7.5645 7.5645 7.7999 7.7999 k = 0.3833 0.2503-0.0000 ( 4710 PWs) bands (ev): -56.7334 -56.7334 -56.7310 -56.7310 -30.9494 -30.9494 -30.9379 -30.9379 -23.1739 -23.1739 -23.1607 -23.1607 -23.0899 -23.0899 -23.0539 -23.0539 -1.6991 -1.6991 -0.8193 -0.8193 4.6090 4.6090 4.8044 4.8044 5.4755 5.4755 5.4866 5.4866 6.3286 6.3286 6.3315 6.3315 6.7310 6.7310 7.3787 7.3787 7.6349 7.6349 7.7858 7.7858 k = 0.4000 0.2612-0.0000 ( 4694 PWs) bands (ev): -56.7332 -56.7332 -56.7312 -56.7312 -30.9485 -30.9485 -30.9386 -30.9386 -23.1730 -23.1730 -23.1617 -23.1617 -23.0872 -23.0872 -23.0563 -23.0563 -1.6445 -1.6445 -0.8873 -0.8873 4.5998 4.5998 4.7708 4.7708 5.4689 5.4689 5.4789 5.4789 6.3487 6.3487 6.3508 6.3508 6.8242 6.8242 7.4065 7.4065 7.7092 7.7092 7.7618 7.7618 k = 0.4167 0.2721-0.0000 ( 4694 PWs) bands (ev): -56.7331 -56.7331 -56.7313 -56.7313 -30.9477 -30.9477 -30.9394 -30.9394 -23.1722 -23.1722 -23.1626 -23.1626 -23.0846 -23.0846 -23.0588 -23.0588 -1.5882 -1.5882 -0.9551 -0.9551 4.5944 4.5944 4.7392 4.7392 5.4633 5.4633 5.4720 5.4720 6.3667 6.3667 6.3681 6.3681 6.9165 6.9165 7.4306 7.4306 7.7320 7.7320 7.7856 7.7856 k = 0.4333 0.2830-0.0000 ( 4686 PWs) bands (ev): -56.7329 -56.7329 -56.7315 -56.7315 -30.9468 -30.9468 -30.9402 -30.9402 -23.1712 -23.1712 -23.1636 -23.1636 -23.0820 -23.0820 -23.0613 -23.0613 -1.5303 -1.5303 -1.0225 -1.0225 4.5928 4.5928 4.7101 4.7101 5.4588 5.4588 5.4661 5.4661 6.3821 6.3821 6.3830 6.3830 7.0067 7.0067 7.4468 7.4468 7.7023 7.7023 7.8374 7.8374 k = 0.4500 0.2939-0.0000 ( 4682 PWs) bands (ev): -56.7327 -56.7327 -56.7317 -56.7317 -30.9459 -30.9459 -30.9410 -30.9410 -23.1703 -23.1703 -23.1646 -23.1646 -23.0794 -23.0794 -23.0638 -23.0638 -1.4710 -1.4710 -1.0892 -1.0892 4.5949 4.5949 4.6838 4.6838 5.4556 5.4556 5.4612 5.4612 6.3945 6.3945 6.3950 6.3950 7.0936 7.0936 7.4478 7.4478 7.6813 7.6813 7.8135 7.8135 k = 0.4667 0.3047-0.0000 ( 4682 PWs) bands (ev): -56.7325 -56.7325 -56.7318 -56.7318 -30.9451 -30.9451 -30.9419 -30.9419 -23.1694 -23.1694 -23.1656 -23.1656 -23.0767 -23.0767 -23.0664 -23.0664 -1.4102 -1.4102 -1.1553 -1.1553 4.6009 4.6009 4.6605 4.6605 5.4535 5.4535 5.4574 5.4574 6.4037 6.4037 6.4040 6.4040 7.1763 7.1763 7.4262 7.4262 7.6774 7.6774 7.7792 7.7792 k = 0.4833 0.3156-0.0000 ( 4686 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9443 -30.9443 -30.9427 -30.9427 -23.1685 -23.1685 -23.1666 -23.1666 -23.0742 -23.0742 -23.0690 -23.0690 -1.3482 -1.3482 -1.2206 -1.2206 4.6105 4.6105 4.6404 4.6404 5.4527 5.4527 5.4546 5.4546 6.4093 6.4093 6.4094 6.4094 7.2534 7.2534 7.3826 7.3826 7.6906 7.6906 7.7455 7.7455 k = 0.5000 0.3265-0.0000 ( 4682 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9435 -30.9435 -30.9435 -30.9435 -23.1675 -23.1675 -23.1675 -23.1675 -23.0715 -23.0715 -23.0715 -23.0715 -1.2849 -1.2849 -1.2849 -1.2849 4.6237 4.6237 4.6237 4.6237 5.4531 5.4531 5.4531 5.4531 6.4112 6.4112 6.4112 6.4112 7.3232 7.3232 7.3232 7.3232 7.7150 7.7150 7.7150 7.7150 k = 0.5000 0.3265-0.0000 ( 4682 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9435 -30.9435 -30.9435 -30.9435 -23.1675 -23.1675 -23.1675 -23.1675 -23.0715 -23.0715 -23.0715 -23.0715 -1.2849 -1.2849 -1.2849 -1.2849 4.6237 4.6237 4.6237 4.6237 5.4531 5.4531 5.4531 5.4531 6.4112 6.4112 6.4112 6.4112 7.3232 7.3232 7.3232 7.3232 7.7150 7.7150 7.7150 7.7150 k = 0.4924 0.3381 0.0138 ( 4666 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1679 -23.1679 -23.1670 -23.1670 -23.0719 -23.0719 -23.0710 -23.0710 -1.2845 -1.2845 -1.2837 -1.2837 4.6023 4.6023 4.6259 4.6259 5.4510 5.4510 5.4715 5.4715 6.4108 6.4108 6.4118 6.4118 7.3088 7.3088 7.3269 7.3269 7.7007 7.7007 7.7188 7.7188 k = 0.4849 0.3497 0.0277 ( 4670 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9435 -30.9435 -30.9433 -30.9433 -23.1683 -23.1683 -23.1666 -23.1666 -23.0724 -23.0724 -23.0706 -23.0706 -1.2830 -1.2830 -1.2805 -1.2805 4.5451 4.5451 4.6308 4.6308 5.4452 5.4452 5.5211 5.5211 6.4098 6.4098 6.4134 6.4134 7.2683 7.2683 7.3363 7.3363 7.6690 7.6690 7.7238 7.7238 k = 0.4773 0.3613 0.0415 ( 4670 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9433 -30.9433 -23.1688 -23.1688 -23.1662 -23.1662 -23.0728 -23.0728 -23.0701 -23.0701 -1.2804 -1.2804 -1.2752 -1.2752 4.4623 4.4623 4.6389 4.6389 5.4358 5.4358 5.5905 5.5905 6.4089 6.4089 6.4162 6.4162 7.2050 7.2050 7.3506 7.3506 7.6255 7.6255 7.7355 7.7355 k = 0.4697 0.3729 0.0553 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9433 -30.9433 -23.1693 -23.1693 -23.1658 -23.1658 -23.0733 -23.0733 -23.0697 -23.0697 -1.2769 -1.2769 -1.2679 -1.2679 4.3634 4.3634 4.6503 4.6503 5.4229 5.4229 5.6692 5.6692 6.4089 6.4089 6.4201 6.4201 7.1240 7.1240 7.3657 7.3657 7.5798 7.5798 7.7559 7.7559 k = 0.4622 0.3844 0.0692 ( 4680 PWs) bands (ev): -56.7322 -56.7322 -56.7321 -56.7321 -30.9438 -30.9438 -30.9432 -30.9432 -23.1699 -23.1699 -23.1655 -23.1655 -23.0738 -23.0738 -23.0691 -23.0691 -1.2724 -1.2724 -1.2584 -1.2584 4.2550 4.2550 4.6648 4.6648 5.4068 5.4068 5.7489 5.7489 6.4114 6.4114 6.4251 6.4251 7.0308 7.0308 7.3703 7.3703 7.5474 7.5474 7.7852 7.7852 k = 0.4546 0.3960 0.0830 ( 4684 PWs) bands (ev): -56.7322 -56.7322 -56.7321 -56.7321 -30.9439 -30.9439 -30.9431 -30.9431 -23.1704 -23.1704 -23.1652 -23.1652 -23.0742 -23.0742 -23.0686 -23.0686 -1.2671 -1.2671 -1.2468 -1.2468 4.1413 4.1413 4.6825 4.6825 5.3881 5.3881 5.8232 5.8232 6.4183 6.4183 6.4315 6.4315 6.9296 6.9296 7.3473 7.3473 7.5481 7.5481 7.8224 7.8224 k = 0.4470 0.4076 0.0969 ( 4682 PWs) bands (ev): -56.7323 -56.7323 -56.7321 -56.7321 -30.9440 -30.9440 -30.9430 -30.9430 -23.1709 -23.1709 -23.1648 -23.1648 -23.0747 -23.0747 -23.0681 -23.0681 -1.2610 -1.2610 -1.2333 -1.2333 4.0250 4.0250 4.7033 4.7033 5.3669 5.3669 5.8872 5.8872 6.4307 6.4307 6.4405 6.4405 6.8233 6.8233 7.2992 7.2992 7.5810 7.5810 7.8670 7.8670 k = 0.4395 0.4192 0.1107 ( 4684 PWs) bands (ev): -56.7323 -56.7323 -56.7321 -56.7321 -30.9442 -30.9442 -30.9429 -30.9429 -23.1713 -23.1713 -23.1646 -23.1646 -23.0752 -23.0752 -23.0675 -23.0675 -1.2542 -1.2542 -1.2176 -1.2176 3.9078 3.9078 4.7271 4.7271 5.3437 5.3437 5.9370 5.9370 6.4432 6.4432 6.4592 6.4592 6.7144 6.7144 7.2401 7.2401 7.6328 7.6328 7.9179 7.9179 k = 0.4319 0.4308 0.1245 ( 4686 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9443 -30.9443 -30.9428 -30.9428 -23.1718 -23.1718 -23.1643 -23.1643 -23.0757 -23.0757 -23.0669 -23.0669 -1.2468 -1.2468 -1.2000 -1.2000 3.7910 3.7910 4.7539 4.7539 5.3190 5.3190 5.9710 5.9710 6.4532 6.4532 6.4898 6.4898 6.6051 6.6051 7.1775 7.1775 7.6963 7.6963 7.9743 7.9743 k = 0.4243 0.4424 0.1384 ( 4690 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9446 -30.9446 -30.9426 -30.9426 -23.1724 -23.1724 -23.1641 -23.1641 -23.0762 -23.0762 -23.0663 -23.0663 -1.2390 -1.2390 -1.1804 -1.1804 3.6755 3.6755 4.7837 4.7837 5.2930 5.2930 5.9900 5.9900 6.4630 6.4630 6.4838 6.4838 6.5413 6.5413 7.1148 7.1148 7.7676 7.7676 8.0354 8.0354 k = 0.4168 0.4539 0.1522 ( 4676 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9447 -30.9447 -30.9424 -30.9424 -23.1728 -23.1728 -23.1638 -23.1638 -23.0767 -23.0767 -23.0655 -23.0655 -1.2309 -1.2309 -1.1589 -1.1589 3.5620 3.5620 4.8161 4.8161 5.2663 5.2663 5.9967 5.9967 6.3773 6.3773 6.4745 6.4745 6.5824 6.5824 7.0541 7.0541 7.8442 7.8442 8.1000 8.1000 k = 0.4092 0.4655 0.1660 ( 4672 PWs) bands (ev): -56.7324 -56.7324 -56.7319 -56.7319 -30.9449 -30.9449 -30.9422 -30.9422 -23.1733 -23.1733 -23.1637 -23.1637 -23.0773 -23.0773 -23.0648 -23.0648 -1.2226 -1.2226 -1.1355 -1.1355 3.4512 3.4512 4.8512 4.8512 5.2391 5.2391 5.9943 5.9943 6.2680 6.2680 6.4860 6.4860 6.6288 6.6288 6.9976 6.9976 7.9235 7.9235 8.1663 8.1663 k = 0.4017 0.4771 0.1799 ( 4672 PWs) bands (ev): -56.7325 -56.7325 -56.7319 -56.7319 -30.9451 -30.9451 -30.9419 -30.9419 -23.1738 -23.1738 -23.1635 -23.1635 -23.0778 -23.0778 -23.0640 -23.0640 -1.2144 -1.2144 -1.1102 -1.1102 3.3436 3.3436 4.8887 4.8887 5.2117 5.2117 5.9852 5.9852 6.1598 6.1598 6.4981 6.4981 6.6709 6.6709 6.9494 6.9494 8.0024 8.0024 8.2312 8.2312 k = 0.3941 0.4887 0.1937 ( 4668 PWs) bands (ev): -56.7325 -56.7325 -56.7318 -56.7318 -30.9453 -30.9453 -30.9417 -30.9417 -23.1742 -23.1742 -23.1634 -23.1634 -23.0784 -23.0784 -23.0633 -23.0633 -1.2065 -1.2065 -1.0832 -1.0832 3.2397 3.2397 4.9283 4.9283 5.1844 5.1844 5.9717 5.9717 6.0537 6.0537 6.5104 6.5104 6.6991 6.6991 6.9179 6.9179 8.0773 8.0773 8.2895 8.2895 k = 0.3865 0.5003 0.2075 ( 4664 PWs) bands (ev): -56.7326 -56.7326 -56.7318 -56.7318 -30.9455 -30.9455 -30.9415 -30.9415 -23.1747 -23.1747 -23.1632 -23.1632 -23.0790 -23.0790 -23.0624 -23.0624 -1.1991 -1.1991 -1.0544 -1.0544 3.1400 3.1400 4.9695 4.9695 5.1576 5.1576 5.9504 5.9504 5.9551 5.9551 6.5224 6.5224 6.7015 6.7015 6.9149 6.9149 8.1440 8.1440 8.3362 8.3362 k = 0.3790 0.5119 0.2214 ( 4668 PWs) bands (ev): -56.7326 -56.7326 -56.7317 -56.7317 -30.9458 -30.9458 -30.9412 -30.9412 -23.1752 -23.1752 -23.1632 -23.1632 -23.0797 -23.0797 -23.0616 -23.0616 -1.1923 -1.1923 -1.0239 -1.0239 3.0447 3.0447 5.0115 5.0115 5.1315 5.1315 5.8508 5.8508 5.9363 5.9363 6.5325 6.5325 6.6799 6.6799 6.9399 6.9399 8.1976 8.1976 8.3704 8.3704 k = 0.3714 0.5235 0.2352 ( 4664 PWs) bands (ev): -56.7327 -56.7327 -56.7317 -56.7317 -30.9461 -30.9461 -30.9410 -30.9410 -23.1756 -23.1756 -23.1631 -23.1631 -23.0803 -23.0803 -23.0607 -23.0607 -1.1864 -1.1864 -0.9918 -0.9918 2.9545 2.9545 5.0527 5.0527 5.1068 5.1068 5.7564 5.7564 5.9162 5.9162 6.5369 6.5369 6.6509 6.6509 6.9799 6.9799 8.2344 8.2344 8.3925 8.3925 k = 0.3638 0.5350 0.2490 ( 4656 PWs) bands (ev): -56.7327 -56.7327 -56.7316 -56.7316 -30.9463 -30.9463 -30.9406 -30.9406 -23.1760 -23.1760 -23.1630 -23.1630 -23.0810 -23.0810 -23.0598 -23.0598 -1.1818 -1.1818 -0.9582 -0.9582 2.8696 2.8696 5.0770 5.0770 5.0975 5.0975 5.6694 5.6694 5.8952 5.8952 6.5271 6.5271 6.6318 6.6318 7.0263 7.0263 8.2524 8.2524 8.4007 8.4007 k = 0.3563 0.5466 0.2629 ( 4662 PWs) bands (ev): -56.7328 -56.7328 -56.7315 -56.7315 -30.9466 -30.9466 -30.9404 -30.9404 -23.1764 -23.1764 -23.1629 -23.1629 -23.0818 -23.0818 -23.0589 -23.0589 -1.1786 -1.1786 -0.9231 -0.9231 2.7904 2.7904 5.0567 5.0567 5.1271 5.1271 5.5941 5.5941 5.8737 5.8737 6.4992 6.4992 6.6304 6.6304 7.0753 7.0753 8.2513 8.2513 8.3939 8.3939 k = 0.3487 0.5582 0.2767 ( 4662 PWs) bands (ev): -56.7329 -56.7329 -56.7315 -56.7315 -30.9469 -30.9469 -30.9402 -30.9402 -23.1768 -23.1768 -23.1629 -23.1629 -23.0825 -23.0825 -23.0580 -23.0580 -1.1771 -1.1771 -0.8867 -0.8867 2.7172 2.7172 5.0351 5.0351 5.1451 5.1451 5.5384 5.5384 5.8519 5.8519 6.4610 6.4610 6.6402 6.6402 7.1253 7.1253 8.2313 8.2313 8.3748 8.3748 k = 0.3411 0.5698 0.2906 ( 4666 PWs) bands (ev): -56.7329 -56.7329 -56.7314 -56.7314 -30.9473 -30.9473 -30.9399 -30.9399 -23.1773 -23.1773 -23.1629 -23.1629 -23.0833 -23.0833 -23.0570 -23.0570 -1.1776 -1.1776 -0.8489 -0.8489 2.6505 2.6505 5.0146 5.0146 5.1387 5.1387 5.5123 5.5123 5.8301 5.8301 6.4197 6.4197 6.6549 6.6549 7.1757 7.1757 8.1940 8.1940 8.3473 8.3473 k = 0.3336 0.5814 0.3044 ( 4670 PWs) bands (ev): -56.7330 -56.7330 -56.7314 -56.7314 -30.9477 -30.9477 -30.9395 -30.9395 -23.1777 -23.1777 -23.1628 -23.1628 -23.0841 -23.0841 -23.0560 -23.0560 -1.1802 -1.1802 -0.8100 -0.8100 2.5905 2.5905 4.9955 4.9955 5.1045 5.1045 5.5193 5.5193 5.8084 5.8084 6.3781 6.3781 6.6720 6.6720 7.2261 7.2261 8.1425 8.1425 8.3140 8.3140 k = 0.3260 0.5930 0.3182 ( 4686 PWs) bands (ev): -56.7331 -56.7331 -56.7313 -56.7313 -30.9481 -30.9481 -30.9394 -30.9394 -23.1781 -23.1781 -23.1629 -23.1629 -23.0850 -23.0850 -23.0551 -23.0551 -1.1853 -1.1853 -0.7700 -0.7700 2.5375 2.5375 4.9778 4.9778 5.0504 5.0504 5.5512 5.5512 5.7871 5.7871 6.3375 6.3375 6.6904 6.6904 7.2762 7.2762 8.0807 8.0807 8.2760 8.2760 k = 0.3184 0.6045 0.3321 ( 4686 PWs) bands (ev): -56.7331 -56.7331 -56.7312 -56.7312 -30.9485 -30.9485 -30.9390 -30.9390 -23.1784 -23.1784 -23.1628 -23.1628 -23.0859 -23.0859 -23.0541 -23.0541 -1.1931 -1.1931 -0.7290 -0.7290 2.4917 2.4917 4.9608 4.9608 4.9876 4.9876 5.5978 5.5978 5.7664 5.7664 6.2983 6.2983 6.7097 6.7097 7.3258 7.3258 8.0120 8.0120 8.2341 8.2341 k = 0.3109 0.6161 0.3459 ( 4690 PWs) bands (ev): -56.7332 -56.7332 -56.7311 -56.7311 -30.9488 -30.9488 -30.9387 -30.9387 -23.1788 -23.1788 -23.1628 -23.1628 -23.0868 -23.0868 -23.0530 -23.0530 -1.2035 -1.2035 -0.6872 -0.6872 2.4534 2.4534 4.9159 4.9159 4.9506 4.9506 5.6514 5.6514 5.7477 5.7477 6.2609 6.2609 6.7294 6.7294 7.3745 7.3745 7.9388 7.9388 8.1892 8.1892 k = 0.3033 0.6277 0.3597 ( 4678 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9383 -30.9383 -23.1791 -23.1791 -23.1627 -23.1627 -23.0876 -23.0876 -23.0519 -23.0519 -1.2169 -1.2169 -0.6447 -0.6447 2.4228 2.4228 4.8487 4.8487 4.9376 4.9376 5.6963 5.6963 5.7434 5.7434 6.2256 6.2256 6.7495 6.7495 7.4223 7.4223 7.8629 7.8629 8.1420 8.1420 k = 0.3033 0.6277 0.3597 ( 4678 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9491 -30.9491 -30.9383 -30.9383 -23.1791 -23.1791 -23.1627 -23.1627 -23.0876 -23.0876 -23.0519 -23.0519 -1.2169 -1.2169 -0.6447 -0.6447 2.4228 2.4228 4.8487 4.8487 4.9376 4.9376 5.6963 5.6963 5.7434 5.7434 6.2256 6.2256 6.7495 6.7495 7.4223 7.4223 7.8629 7.8629 8.1420 8.1420 k = 0.2855 0.6229 0.3655 ( 4683 PWs) bands (ev): -56.7333 -56.7333 -56.7310 -56.7310 -30.9493 -30.9493 -30.9382 -30.9382 -23.1792 -23.1792 -23.1627 -23.1627 -23.0881 -23.0881 -23.0515 -23.0515 -1.2248 -1.2248 -0.6254 -0.6254 2.4144 2.4144 4.8117 4.8117 4.9334 4.9334 5.6847 5.6847 5.7824 5.7824 6.2083 6.2083 6.7618 6.7618 7.4418 7.4418 7.8305 7.8305 8.1226 8.1226 k = 0.2676 0.6181 0.3712 ( 4683 PWs) bands (ev): -56.7334 -56.7334 -56.7310 -56.7310 -30.9495 -30.9495 -30.9380 -30.9380 -23.1794 -23.1794 -23.1626 -23.1626 -23.0886 -23.0886 -23.0509 -23.0509 -1.2355 -1.2355 -0.6038 -0.6038 2.4116 2.4116 4.7584 4.7584 4.9303 4.9303 5.6670 5.6670 5.8458 5.8458 6.1858 6.1858 6.7812 6.7812 7.4609 7.4609 7.7979 7.7979 8.1045 8.1045 k = 0.2498 0.6133 0.3769 ( 4683 PWs) bands (ev): -56.7334 -56.7334 -56.7309 -56.7309 -30.9497 -30.9497 -30.9378 -30.9378 -23.1796 -23.1796 -23.1624 -23.1624 -23.0892 -23.0892 -23.0502 -23.0502 -1.2481 -1.2481 -0.5808 -0.5808 2.4144 2.4144 4.6919 4.6919 4.9281 4.9281 5.6546 5.6546 5.9188 5.9188 6.1599 6.1599 6.8060 6.8060 7.4787 7.4787 7.7671 7.7671 8.0874 8.0874 k = 0.2319 0.6085 0.3827 ( 4687 PWs) bands (ev): -56.7335 -56.7335 -56.7309 -56.7309 -30.9500 -30.9500 -30.9376 -30.9376 -23.1799 -23.1799 -23.1622 -23.1622 -23.0899 -23.0899 -23.0496 -23.0496 -1.2617 -1.2617 -0.5576 -0.5576 2.4228 2.4228 4.6154 4.6154 4.9267 4.9267 5.6471 5.6471 5.9971 5.9971 6.1336 6.1336 6.8348 6.8348 7.4937 7.4937 7.7404 7.7404 8.0711 8.0711 k = 0.2141 0.6037 0.3884 ( 4689 PWs) bands (ev): -56.7335 -56.7335 -56.7309 -56.7309 -30.9502 -30.9502 -30.9374 -30.9374 -23.1802 -23.1802 -23.1620 -23.1620 -23.0906 -23.0906 -23.0489 -23.0489 -1.2757 -1.2757 -0.5346 -0.5346 2.4368 2.4368 4.5319 4.5319 4.9261 4.9261 5.6435 5.6435 6.0637 6.0637 6.1234 6.1234 6.8661 6.8661 7.5040 7.5040 7.7202 7.7202 8.0551 8.0551 k = 0.1963 0.5989 0.3941 ( 4690 PWs) bands (ev): -56.7335 -56.7335 -56.7308 -56.7308 -30.9505 -30.9505 -30.9371 -30.9371 -23.1805 -23.1805 -23.1617 -23.1617 -23.0913 -23.0913 -23.0482 -23.0482 -1.2897 -1.2897 -0.5126 -0.5126 2.4561 2.4561 4.4438 4.4438 4.9263 4.9263 5.6428 5.6428 6.0582 6.0582 6.1892 6.1892 6.8988 6.8988 7.5078 7.5078 7.7087 7.7087 8.0394 8.0394 k = 0.1784 0.5941 0.3999 ( 4684 PWs) bands (ev): -56.7336 -56.7336 -56.7308 -56.7308 -30.9506 -30.9506 -30.9369 -30.9369 -23.1807 -23.1807 -23.1615 -23.1615 -23.0919 -23.0919 -23.0475 -23.0475 -1.3033 -1.3033 -0.4918 -0.4918 2.4804 2.4804 4.3532 4.3532 4.9271 4.9271 5.6440 5.6440 6.0314 6.0314 6.2797 6.2797 6.9319 6.9319 7.5047 7.5047 7.7061 7.7061 8.0240 8.0240 k = 0.1606 0.5893 0.4056 ( 4687 PWs) bands (ev): -56.7336 -56.7336 -56.7307 -56.7307 -30.9508 -30.9508 -30.9368 -30.9368 -23.1810 -23.1810 -23.1612 -23.1612 -23.0926 -23.0926 -23.0469 -23.0469 -1.3162 -1.3162 -0.4727 -0.4727 2.5094 2.5094 4.2618 4.2618 4.9284 4.9284 5.6465 5.6465 6.0035 6.0035 6.3740 6.3740 6.9645 6.9645 7.4964 7.4964 7.7101 7.7101 8.0093 8.0093 k = 0.1427 0.5845 0.4113 ( 4685 PWs) bands (ev): -56.7337 -56.7337 -56.7307 -56.7307 -30.9510 -30.9510 -30.9366 -30.9366 -23.1813 -23.1813 -23.1609 -23.1609 -23.0932 -23.0932 -23.0463 -23.0463 -1.3282 -1.3282 -0.4553 -0.4553 2.5424 2.5424 4.1712 4.1712 4.9300 4.9300 5.6498 5.6498 5.9767 5.9767 6.4692 6.4692 6.9956 6.9956 7.4859 7.4859 7.7168 7.7168 7.9963 7.9963 k = 0.1249 0.5797 0.4171 ( 4683 PWs) bands (ev): -56.7337 -56.7337 -56.7306 -56.7306 -30.9512 -30.9512 -30.9364 -30.9364 -23.1815 -23.1815 -23.1607 -23.1607 -23.0938 -23.0938 -23.0457 -23.0457 -1.3390 -1.3390 -0.4399 -0.4399 2.5787 2.5787 4.0830 4.0830 4.9320 4.9320 5.6536 5.6536 5.9519 5.9519 6.5634 6.5634 7.0245 7.0245 7.4758 7.4758 7.7220 7.7220 7.9864 7.9864 k = 0.1070 0.5749 0.4228 ( 4687 PWs) bands (ev): -56.7337 -56.7337 -56.7306 -56.7306 -30.9513 -30.9513 -30.9362 -30.9362 -23.1817 -23.1817 -23.1604 -23.1604 -23.0943 -23.0943 -23.0453 -23.0453 -1.3487 -1.3487 -0.4266 -0.4266 2.6171 2.6171 3.9987 3.9987 4.9341 4.9341 5.6574 5.6574 5.9294 5.9294 6.6547 6.6547 7.0508 7.0508 7.4678 7.4678 7.7218 7.7218 7.9812 7.9812 k = 0.0892 0.5701 0.4286 ( 4682 PWs) bands (ev): -56.7338 -56.7338 -56.7306 -56.7306 -30.9514 -30.9514 -30.9361 -30.9361 -23.1819 -23.1819 -23.1602 -23.1602 -23.0948 -23.0948 -23.0448 -23.0448 -1.3570 -1.3570 -0.4153 -0.4153 2.6563 2.6563 3.9203 3.9203 4.9361 4.9361 5.6611 5.6611 5.9098 5.9098 6.7408 6.7408 7.0739 7.0739 7.4632 7.4632 7.7136 7.7136 7.9817 7.9817 k = 0.0714 0.5653 0.4343 ( 4676 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9515 -30.9515 -30.9359 -30.9359 -23.1820 -23.1820 -23.1599 -23.1599 -23.0951 -23.0951 -23.0444 -23.0444 -1.3639 -1.3639 -0.4060 -0.4060 2.6943 2.6943 3.8498 3.8498 4.9380 4.9380 5.6643 5.6643 5.8933 5.8933 6.8187 6.8187 7.0939 7.0939 7.4627 7.4627 7.6972 7.6972 7.9874 7.9874 k = 0.0535 0.5605 0.4400 ( 4676 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9516 -30.9516 -30.9359 -30.9359 -23.1822 -23.1822 -23.1598 -23.1598 -23.0954 -23.0954 -23.0441 -23.0441 -1.3693 -1.3693 -0.3989 -0.3989 2.7288 2.7288 3.7899 3.7899 4.9397 4.9397 5.6671 5.6671 5.8802 5.8802 6.8846 6.8846 7.1110 7.1110 7.4664 7.4664 7.6743 7.6743 7.9963 7.9963 k = 0.0357 0.5557 0.4458 ( 4675 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9517 -30.9517 -30.9358 -30.9358 -23.1823 -23.1823 -23.1597 -23.1597 -23.0956 -23.0956 -23.0439 -23.0439 -1.3732 -1.3732 -0.3938 -0.3938 2.7568 2.7568 3.7436 3.7436 4.9409 4.9409 5.6691 5.6691 5.8707 5.8707 6.9346 6.9346 7.1252 7.1252 7.4738 7.4738 7.6489 7.6489 8.0054 8.0054 k = 0.0178 0.5509 0.4515 ( 4673 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9517 -30.9517 -30.9357 -30.9357 -23.1824 -23.1824 -23.1596 -23.1596 -23.0958 -23.0958 -23.0438 -23.0438 -1.3755 -1.3755 -0.3907 -0.3907 2.7752 2.7752 3.7142 3.7142 4.9417 4.9417 5.6704 5.6704 5.8649 5.8649 6.9654 6.9654 7.1354 7.1354 7.4823 7.4823 7.6274 7.6274 8.0122 8.0122 k = 0.0000 0.5461 0.4572 ( 4674 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9517 -30.9517 -30.9357 -30.9357 -23.1824 -23.1824 -23.1596 -23.1596 -23.0958 -23.0958 -23.0438 -23.0438 -1.3763 -1.3763 -0.3897 -0.3897 2.7817 2.7817 3.7040 3.7040 4.9420 4.9420 5.6708 5.6708 5.8629 5.8629 6.9757 6.9757 7.1392 7.1392 7.4865 7.4865 7.6185 7.6185 8.0147 8.0147 k = 0.0000 0.5461 0.4572 ( 4674 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9517 -30.9517 -30.9357 -30.9357 -23.1824 -23.1824 -23.1596 -23.1596 -23.0958 -23.0958 -23.0438 -23.0438 -1.3763 -1.3763 -0.3897 -0.3897 2.7817 2.7817 3.7040 3.7040 4.9420 4.9420 5.6708 5.6708 5.8629 5.8629 6.9757 6.9757 7.1392 7.1392 7.4865 7.4865 7.6185 7.6185 8.0147 8.0147 k = 0.0076 0.5345 0.4711 ( 4676 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9517 -30.9517 -30.9358 -30.9358 -23.1824 -23.1824 -23.1596 -23.1596 -23.0958 -23.0958 -23.0438 -23.0438 -1.3757 -1.3757 -0.3899 -0.3899 2.7824 2.7824 3.7056 3.7056 4.9415 4.9415 5.6703 5.6703 5.8607 5.8607 6.9773 6.9773 7.1368 7.1368 7.4831 7.4831 7.6233 7.6233 8.0077 8.0077 k = 0.0152 0.5229 0.4849 ( 4678 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9517 -30.9517 -30.9358 -30.9358 -23.1824 -23.1824 -23.1597 -23.1597 -23.0957 -23.0957 -23.0439 -23.0439 -1.3737 -1.3737 -0.3904 -0.3904 2.7843 2.7843 3.7101 3.7101 4.9399 4.9399 5.6687 5.6687 5.8542 5.8542 6.9821 6.9821 7.1298 7.1298 7.4741 7.4741 7.6361 7.6361 7.9880 7.9880 k = 0.0227 0.5113 0.4988 ( 4682 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9517 -30.9517 -30.9359 -30.9359 -23.1824 -23.1824 -23.1598 -23.1598 -23.0955 -23.0955 -23.0440 -23.0440 -1.3704 -1.3704 -0.3914 -0.3914 2.7876 2.7876 3.7178 3.7178 4.9373 4.9373 5.6656 5.6656 5.8436 5.8436 6.9899 6.9899 7.1190 7.1190 7.4610 7.4610 7.6540 7.6540 7.9587 7.9587 k = 0.0303 0.4997 0.5126 ( 4684 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9516 -30.9516 -30.9360 -30.9360 -23.1825 -23.1825 -23.1599 -23.1599 -23.0953 -23.0953 -23.0442 -23.0442 -1.3659 -1.3659 -0.3928 -0.3928 2.7922 2.7922 3.7284 3.7284 4.9339 4.9339 5.6607 5.6607 5.8293 5.8293 6.9999 6.9999 7.1057 7.1057 7.4446 7.4446 7.6742 7.6742 7.9245 7.9245 k = 0.0379 0.4881 0.5265 ( 4686 PWs) bands (ev): -56.7338 -56.7338 -56.7305 -56.7305 -30.9515 -30.9515 -30.9361 -30.9361 -23.1825 -23.1825 -23.1600 -23.1600 -23.0950 -23.0950 -23.0444 -23.0444 -1.3600 -1.3600 -0.3946 -0.3946 2.7982 2.7982 3.7420 3.7420 4.9300 4.9300 5.6530 5.6530 5.8121 5.8121 7.0108 7.0108 7.0919 7.0919 7.4242 7.4242 7.6941 7.6941 7.8908 7.8908 k = 0.0455 0.4765 0.5404 ( 4682 PWs) bands (ev): -56.7338 -56.7338 -56.7306 -56.7306 -30.9514 -30.9514 -30.9362 -30.9362 -23.1826 -23.1826 -23.1602 -23.1602 -23.0946 -23.0946 -23.0446 -23.0446 -1.3529 -1.3529 -0.3969 -0.3969 2.8056 2.8056 3.7586 3.7586 4.9257 4.9257 5.6412 5.6412 5.7933 5.7933 7.0196 7.0196 7.0812 7.0812 7.3981 7.3981 7.7108 7.7108 7.8636 7.8636 k = 0.0530 0.4649 0.5542 ( 4686 PWs) bands (ev): -56.7338 -56.7338 -56.7306 -56.7306 -30.9513 -30.9513 -30.9363 -30.9363 -23.1827 -23.1827 -23.1604 -23.1604 -23.0942 -23.0942 -23.0449 -23.0449 -1.3445 -1.3445 -0.3997 -0.3997 2.8144 2.8144 3.7781 3.7781 4.9213 4.9213 5.6236 5.6236 5.7748 5.7748 7.0200 7.0200 7.0800 7.0800 7.3651 7.3651 7.7214 7.7214 7.8490 7.8490 k = 0.0606 0.4533 0.5681 ( 4682 PWs) bands (ev): -56.7337 -56.7337 -56.7306 -56.7306 -30.9512 -30.9512 -30.9364 -30.9364 -23.1827 -23.1827 -23.1606 -23.1606 -23.0937 -23.0937 -23.0452 -23.0452 -1.3348 -1.3348 -0.4032 -0.4032 2.8248 2.8248 3.8005 3.8005 4.9171 4.9171 5.5985 5.5985 5.7583 5.7583 7.0103 7.0103 7.0898 7.0898 7.3245 7.3245 7.7254 7.7254 7.8494 7.8494 k = 0.0682 0.4417 0.5819 ( 4686 PWs) bands (ev): -56.7337 -56.7337 -56.7307 -56.7307 -30.9511 -30.9511 -30.9366 -30.9366 -23.1828 -23.1828 -23.1608 -23.1608 -23.0932 -23.0932 -23.0456 -23.0456 -1.3239 -1.3239 -0.4073 -0.4073 2.8367 2.8367 3.8257 3.8257 4.9135 4.9135 5.5650 5.5650 5.7448 5.7448 6.9949 6.9949 7.1049 7.1049 7.2780 7.2780 7.7268 7.7268 7.8611 7.8611 k = 0.0758 0.4301 0.5958 ( 4680 PWs) bands (ev): -56.7337 -56.7337 -56.7307 -56.7307 -30.9509 -30.9509 -30.9367 -30.9367 -23.1828 -23.1828 -23.1611 -23.1611 -23.0926 -23.0926 -23.0459 -23.0459 -1.3119 -1.3119 -0.4121 -0.4121 2.8503 2.8503 3.8536 3.8536 4.9106 4.9106 5.5235 5.5235 5.7342 5.7342 6.9761 6.9761 7.1195 7.1195 7.2302 7.2302 7.7302 7.7302 7.8788 7.8788 k = 0.0833 0.4185 0.6096 ( 4678 PWs) bands (ev): -56.7336 -56.7336 -56.7307 -56.7307 -30.9507 -30.9507 -30.9369 -30.9369 -23.1829 -23.1829 -23.1613 -23.1613 -23.0920 -23.0920 -23.0464 -23.0464 -1.2986 -1.2986 -0.4177 -0.4177 2.8656 2.8656 3.8842 3.8842 4.9087 4.9087 5.4750 5.4750 5.7256 5.7256 6.9523 6.9523 7.1238 7.1238 7.1944 7.1944 7.7375 7.7375 7.8990 7.8990 k = 0.0909 0.4069 0.6235 ( 4680 PWs) bands (ev): -56.7336 -56.7336 -56.7308 -56.7308 -30.9506 -30.9506 -30.9371 -30.9371 -23.1830 -23.1830 -23.1616 -23.1616 -23.0913 -23.0913 -23.0469 -23.0469 -1.2842 -1.2842 -0.4241 -0.4241 2.8828 2.8828 3.9174 3.9174 4.9082 4.9082 5.4209 5.4209 5.7183 5.7183 6.9193 6.9193 7.1038 7.1038 7.1899 7.1899 7.7489 7.7489 7.9200 7.9200 k = 0.0985 0.3953 0.6373 ( 4684 PWs) bands (ev): -56.7335 -56.7335 -56.7308 -56.7308 -30.9504 -30.9504 -30.9374 -30.9374 -23.1831 -23.1831 -23.1619 -23.1619 -23.0906 -23.0906 -23.0474 -23.0474 -1.2686 -1.2686 -0.4315 -0.4315 2.9018 2.9018 3.9529 3.9529 4.9091 4.9091 5.3622 5.3622 5.7115 5.7115 6.8727 6.8727 7.0789 7.0789 7.2030 7.2030 7.7637 7.7637 7.9411 7.9411 k = 0.1061 0.3837 0.6512 ( 4678 PWs) bands (ev): -56.7335 -56.7335 -56.7309 -56.7309 -30.9502 -30.9502 -30.9376 -30.9376 -23.1832 -23.1832 -23.1622 -23.1622 -23.0898 -23.0898 -23.0479 -23.0479 -1.2520 -1.2520 -0.4398 -0.4398 2.9228 2.9228 3.9907 3.9907 4.9116 4.9116 5.2999 5.2999 5.7048 5.7048 6.8126 6.8126 7.0635 7.0635 7.2198 7.2198 7.7810 7.7810 7.9616 7.9616 k = 0.1136 0.3721 0.6651 ( 4674 PWs) bands (ev): -56.7334 -56.7334 -56.7309 -56.7309 -30.9499 -30.9499 -30.9378 -30.9378 -23.1833 -23.1833 -23.1625 -23.1625 -23.0890 -23.0890 -23.0484 -23.0484 -1.2343 -1.2343 -0.4492 -0.4492 2.9458 2.9458 4.0304 4.0304 4.9157 4.9157 5.2350 5.2350 5.6977 5.6977 6.7430 6.7430 7.0576 7.0576 7.2371 7.2371 7.7999 7.7999 7.9813 7.9813 k = 0.1212 0.3605 0.6789 ( 4678 PWs) bands (ev): -56.7334 -56.7334 -56.7310 -56.7310 -30.9497 -30.9497 -30.9381 -30.9381 -23.1834 -23.1834 -23.1628 -23.1628 -23.0882 -23.0882 -23.0491 -23.0491 -1.2156 -1.2156 -0.4596 -0.4596 2.9710 2.9710 4.0718 4.0718 4.9214 4.9214 5.1687 5.1687 5.6900 5.6900 6.6674 6.6674 7.0590 7.0590 7.2541 7.2541 7.8193 7.8193 8.0000 8.0000 k = 0.1288 0.3489 0.6928 ( 4678 PWs) bands (ev): -56.7333 -56.7333 -56.7310 -56.7310 -30.9495 -30.9495 -30.9383 -30.9383 -23.1835 -23.1835 -23.1631 -23.1631 -23.0873 -23.0873 -23.0497 -23.0497 -1.1959 -1.1959 -0.4711 -0.4711 2.9984 2.9984 4.1144 4.1144 4.9280 4.9280 5.1026 5.1026 5.6815 5.6815 6.5882 6.5882 7.0658 7.0658 7.2703 7.2703 7.8380 7.8380 8.0178 8.0178 k = 0.1364 0.3373 0.7066 ( 4686 PWs) bands (ev): -56.7333 -56.7333 -56.7311 -56.7311 -30.9492 -30.9492 -30.9387 -30.9387 -23.1836 -23.1836 -23.1635 -23.1635 -23.0865 -23.0865 -23.0504 -23.0504 -1.1753 -1.1753 -0.4838 -0.4838 3.0281 3.0281 4.1575 4.1575 4.9330 4.9330 5.0405 5.0405 5.6718 5.6718 6.5068 6.5068 7.0770 7.0770 7.2858 7.2858 7.8548 7.8548 8.0345 8.0345 k = 0.1439 0.3257 0.7205 ( 4686 PWs) bands (ev): -56.7332 -56.7332 -56.7311 -56.7311 -30.9489 -30.9489 -30.9390 -30.9390 -23.1836 -23.1836 -23.1638 -23.1638 -23.0856 -23.0856 -23.0511 -23.0511 -1.1538 -1.1538 -0.4977 -0.4977 3.0602 3.0602 4.2001 4.2001 4.9236 4.9236 4.9964 4.9964 5.6610 5.6610 6.4240 6.4240 7.0920 7.0920 7.3007 7.3007 7.8683 7.8683 8.0503 8.0503 k = 0.1515 0.3141 0.7343 ( 4688 PWs) bands (ev): -56.7331 -56.7331 -56.7312 -56.7312 -30.9486 -30.9486 -30.9394 -30.9394 -23.1837 -23.1837 -23.1642 -23.1642 -23.0847 -23.0847 -23.0518 -23.0518 -1.1315 -1.1315 -0.5127 -0.5127 3.0947 3.0947 4.2404 4.2404 4.8821 4.8821 4.9903 4.9903 5.6487 5.6487 6.3404 6.3404 7.1101 7.1101 7.3149 7.3149 7.8774 7.8774 8.0652 8.0652 k = 0.1591 0.3025 0.7482 ( 4690 PWs) bands (ev): -56.7331 -56.7331 -56.7313 -56.7313 -30.9484 -30.9484 -30.9397 -30.9397 -23.1838 -23.1838 -23.1645 -23.1645 -23.0838 -23.0838 -23.0525 -23.0525 -1.1085 -1.1085 -0.5288 -0.5288 3.1316 3.1316 4.2755 4.2755 4.8314 4.8314 5.0022 5.0022 5.6349 5.6349 6.2564 6.2564 7.1310 7.1310 7.3286 7.3286 7.8810 7.8810 8.0794 8.0794 k = 0.1667 0.2909 0.7620 ( 4684 PWs) bands (ev): -56.7330 -56.7330 -56.7313 -56.7313 -30.9480 -30.9480 -30.9400 -30.9400 -23.1838 -23.1838 -23.1647 -23.1647 -23.0829 -23.0829 -23.0531 -23.0531 -1.0847 -1.0847 -0.5462 -0.5462 3.1711 3.1711 4.3009 4.3009 4.7888 4.7888 5.0197 5.0197 5.6195 5.6195 6.1722 6.1722 7.1543 7.1543 7.3420 7.3420 7.8788 7.8788 8.0925 8.0925 k = 0.1742 0.2793 0.7759 ( 4684 PWs) bands (ev): -56.7329 -56.7329 -56.7314 -56.7314 -30.9477 -30.9477 -30.9403 -30.9403 -23.1839 -23.1839 -23.1650 -23.1650 -23.0820 -23.0820 -23.0538 -23.0538 -1.0603 -1.0603 -0.5646 -0.5646 3.2130 3.2130 4.3104 4.3104 4.7630 4.7630 5.0404 5.0404 5.6025 5.6025 6.0880 6.0880 7.1795 7.1795 7.3553 7.3553 7.8710 7.8710 8.1039 8.1039 k = 0.1818 0.2677 0.7898 ( 4690 PWs) bands (ev): -56.7329 -56.7329 -56.7315 -56.7315 -30.9474 -30.9474 -30.9407 -30.9407 -23.1840 -23.1840 -23.1653 -23.1653 -23.0812 -23.0812 -23.0546 -23.0546 -1.0354 -1.0354 -0.5841 -0.5841 3.2574 3.2574 4.2990 4.2990 4.7598 4.7598 5.0633 5.0633 5.5837 5.5837 6.0041 6.0041 7.2061 7.2061 7.3687 7.3687 7.8585 7.8585 8.1125 8.1125 k = 0.1894 0.2561 0.8036 ( 4688 PWs) bands (ev): -56.7328 -56.7328 -56.7315 -56.7315 -30.9471 -30.9471 -30.9411 -30.9411 -23.1840 -23.1840 -23.1655 -23.1655 -23.0803 -23.0803 -23.0552 -23.0552 -1.0099 -1.0099 -0.6047 -0.6047 3.3042 3.3042 4.2672 4.2672 4.7791 4.7791 5.0882 5.0882 5.5632 5.5632 5.9204 5.9204 7.2336 7.2336 7.3823 7.3823 7.8430 7.8430 8.1163 8.1163 k = 0.1970 0.2445 0.8175 ( 4692 PWs) bands (ev): -56.7327 -56.7327 -56.7316 -56.7316 -30.9467 -30.9467 -30.9414 -30.9414 -23.1841 -23.1841 -23.1657 -23.1657 -23.0795 -23.0795 -23.0559 -23.0559 -0.9840 -0.9840 -0.6262 -0.6262 3.3535 3.3535 4.2201 4.2201 4.8161 4.8161 5.1147 5.1147 5.5411 5.5411 5.8374 5.8374 7.2611 7.2611 7.3962 7.3962 7.8261 7.8261 8.1122 8.1122 k = 0.2045 0.2329 0.8313 ( 4686 PWs) bands (ev): -56.7326 -56.7326 -56.7317 -56.7317 -30.9463 -30.9463 -30.9418 -30.9418 -23.1840 -23.1840 -23.1659 -23.1659 -23.0788 -23.0788 -23.0565 -23.0565 -0.9578 -0.9578 -0.6487 -0.6487 3.4050 3.4050 4.1635 4.1635 4.8653 4.8653 5.1423 5.1423 5.5173 5.5173 5.7550 5.7550 7.2877 7.2877 7.4107 7.4107 7.8099 7.8099 8.0964 8.0964 k = 0.2121 0.2213 0.8452 ( 4686 PWs) bands (ev): -56.7325 -56.7325 -56.7318 -56.7318 -30.9460 -30.9460 -30.9421 -30.9421 -23.1841 -23.1841 -23.1660 -23.1660 -23.0781 -23.0781 -23.0571 -23.0571 -0.9313 -0.9313 -0.6720 -0.6720 3.4587 3.4587 4.1016 4.1016 4.9224 4.9224 5.1709 5.1709 5.4921 5.4921 5.6735 5.6735 7.3124 7.3124 7.4253 7.4253 7.7968 7.7968 8.0676 8.0676 k = 0.2197 0.2097 0.8590 ( 4692 PWs) bands (ev): -56.7325 -56.7325 -56.7319 -56.7319 -30.9456 -30.9456 -30.9426 -30.9426 -23.1841 -23.1841 -23.1662 -23.1662 -23.0776 -23.0776 -23.0576 -23.0576 -0.9047 -0.9047 -0.6960 -0.6960 3.5144 3.5144 4.0372 4.0372 4.9851 4.9851 5.1999 5.1999 5.4656 5.4656 5.5934 5.5934 7.3340 7.3340 7.4394 7.4394 7.7888 7.7888 8.0291 8.0291 k = 0.2273 0.1981 0.8729 ( 4694 PWs) bands (ev): -56.7324 -56.7324 -56.7319 -56.7319 -30.9453 -30.9453 -30.9429 -30.9429 -23.1841 -23.1841 -23.1663 -23.1663 -23.0771 -23.0771 -23.0580 -23.0580 -0.8780 -0.8780 -0.7206 -0.7206 3.5715 3.5715 3.9721 3.9721 5.0516 5.0516 5.2284 5.2284 5.4375 5.4375 5.5159 5.5159 7.3518 7.3518 7.4518 7.4518 7.7880 7.7880 7.9864 7.9864 k = 0.2348 0.1865 0.8867 ( 4696 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9449 -30.9449 -30.9433 -30.9433 -23.1841 -23.1841 -23.1664 -23.1664 -23.0768 -23.0768 -23.0584 -23.0584 -0.8513 -0.8513 -0.7459 -0.7459 3.6290 3.6290 3.9084 3.9084 5.1207 5.1207 5.2551 5.2551 5.4037 5.4037 5.4469 5.4469 7.3651 7.3651 7.4612 7.4612 7.7951 7.7951 7.9446 7.9446 k = 0.2424 0.1749 0.9006 ( 4696 PWs) bands (ev): -56.7322 -56.7322 -56.7321 -56.7321 -30.9445 -30.9445 -30.9437 -30.9437 -23.1841 -23.1841 -23.1664 -23.1664 -23.0765 -23.0765 -23.0586 -23.0586 -0.8248 -0.8248 -0.7714 -0.7714 3.6833 3.6833 3.8502 3.8502 5.1901 5.1901 5.2763 5.2763 5.3482 5.3482 5.4077 5.4077 7.3734 7.3734 7.4669 7.4669 7.8082 7.8082 7.9096 7.9096 k = 0.2500 0.1633 0.9145 ( 4696 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9442 -30.9442 -30.9441 -30.9441 -23.1841 -23.1841 -23.1665 -23.1665 -23.0764 -23.0764 -23.0586 -23.0586 -0.8026 -0.8026 -0.7933 -0.7933 3.7136 3.7136 3.8186 3.8186 5.2403 5.2403 5.2816 5.2816 5.3029 5.3029 5.3962 5.3962 7.3763 7.3763 7.4688 7.4688 7.8167 7.8167 7.8937 7.8937 k = 0.2500 0.1633 0.9145 ( 4696 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9442 -30.9442 -30.9441 -30.9441 -23.1841 -23.1841 -23.1665 -23.1665 -23.0764 -23.0764 -23.0586 -23.0586 -0.8026 -0.8026 -0.7933 -0.7933 3.7136 3.7136 3.8186 3.8186 5.2403 5.2403 5.2816 5.2816 5.3029 5.3029 5.3962 5.3962 7.3763 7.3763 7.4688 7.4688 7.8167 7.8167 7.8937 7.8937 k = 0.2639 0.1723 0.9036 ( 4694 PWs) bands (ev): -56.7322 -56.7322 -56.7321 -56.7321 -30.9444 -30.9444 -30.9439 -30.9439 -23.1841 -23.1841 -23.1665 -23.1665 -23.0764 -23.0764 -23.0586 -23.0586 -0.8127 -0.8127 -0.7834 -0.7834 3.7038 3.7038 3.8312 3.8312 5.1690 5.1690 5.2758 5.2758 5.3487 5.3487 5.4292 5.4292 7.3736 7.3736 7.4664 7.4664 7.8140 7.8140 7.9007 7.9007 k = 0.2778 0.1814 0.8928 ( 4692 PWs) bands (ev): -56.7322 -56.7322 -56.7321 -56.7321 -30.9445 -30.9445 -30.9437 -30.9437 -23.1840 -23.1840 -23.1666 -23.1666 -23.0764 -23.0764 -23.0587 -23.0587 -0.8250 -0.8250 -0.7714 -0.7714 3.6819 3.6819 3.8614 3.8614 5.0636 5.0636 5.2559 5.2559 5.4178 5.4178 5.4906 5.4906 7.3655 7.3655 7.4608 7.4608 7.8064 7.8064 7.9205 7.9205 k = 0.2917 0.1905 0.8820 ( 4686 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9446 -30.9446 -30.9435 -30.9435 -23.1838 -23.1838 -23.1667 -23.1667 -23.0762 -23.0762 -23.0587 -23.0587 -0.8361 -0.8361 -0.7607 -0.7607 3.6568 3.6568 3.9005 3.9005 4.9550 4.9550 5.2326 5.2326 5.4900 5.4900 5.5585 5.5585 7.3510 7.3510 7.4545 7.4545 7.7968 7.7968 7.9485 7.9485 k = 0.3056 0.1995 0.8711 ( 4687 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9448 -30.9448 -30.9434 -30.9434 -23.1836 -23.1836 -23.1670 -23.1670 -23.0760 -23.0760 -23.0588 -23.0588 -0.8460 -0.8460 -0.7516 -0.7516 3.6320 3.6320 3.9448 3.9448 4.8467 4.8467 5.2090 5.2090 5.5626 5.5626 5.6288 5.6288 7.3300 7.3300 7.4493 7.4493 7.7875 7.7875 7.9811 7.9811 k = 0.3194 0.2086 0.8603 ( 4686 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9449 -30.9449 -30.9432 -30.9432 -23.1834 -23.1834 -23.1673 -23.1673 -23.0758 -23.0758 -23.0590 -23.0590 -0.8544 -0.8544 -0.7442 -0.7442 3.6087 3.6087 3.9927 3.9927 4.7401 4.7401 5.1858 5.1858 5.6344 5.6344 5.7005 5.7005 7.3036 7.3036 7.4452 7.4452 7.7798 7.7798 8.0163 8.0163 k = 0.3333 0.2177 0.8495 ( 4684 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9450 -30.9450 -30.9432 -30.9432 -23.1831 -23.1831 -23.1676 -23.1676 -23.0755 -23.0755 -23.0592 -23.0592 -0.8614 -0.8614 -0.7384 -0.7384 3.5875 3.5875 4.0432 4.0432 4.6367 4.6367 5.1632 5.1632 5.7041 5.7041 5.7732 5.7732 7.2735 7.2735 7.4415 7.4415 7.7743 7.7743 8.0524 8.0524 k = 0.3472 0.2267 0.8386 ( 4689 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9451 -30.9451 -30.9431 -30.9431 -23.1827 -23.1827 -23.1681 -23.1681 -23.0752 -23.0752 -23.0595 -23.0595 -0.8668 -0.8668 -0.7344 -0.7344 3.5687 3.5687 4.0940 4.0940 4.5384 4.5384 5.1413 5.1413 5.7706 5.7706 5.8466 5.8466 7.2414 7.2414 7.4373 7.4373 7.7716 7.7716 8.0882 8.0882 k = 0.3611 0.2358 0.8278 ( 4693 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9451 -30.9451 -30.9431 -30.9431 -23.1823 -23.1823 -23.1685 -23.1685 -23.0748 -23.0748 -23.0598 -23.0598 -0.8707 -0.8707 -0.7322 -0.7322 3.5525 3.5525 4.1402 4.1402 4.4504 4.4504 5.1202 5.1202 5.8335 5.8335 5.9199 5.9199 7.2089 7.2089 7.4318 7.4318 7.7718 7.7718 8.1215 8.1215 k = 0.3750 0.2449 0.8170 ( 4686 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9451 -30.9451 -30.9430 -30.9430 -23.1818 -23.1818 -23.1690 -23.1690 -23.0744 -23.0744 -23.0601 -23.0601 -0.8730 -0.8730 -0.7319 -0.7319 3.5390 3.5390 4.1659 4.1659 4.3889 4.3889 5.0999 5.0999 5.8922 5.8922 5.9917 5.9917 7.1778 7.1778 7.4246 7.4246 7.7750 7.7750 8.1454 8.1454 k = 0.3889 0.2540 0.8061 ( 4694 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9452 -30.9452 -30.9431 -30.9431 -23.1814 -23.1814 -23.1695 -23.1695 -23.0739 -23.0739 -23.0606 -23.0606 -0.8736 -0.8736 -0.7335 -0.7335 3.5283 3.5283 4.1417 4.1417 4.3833 4.3833 5.0804 5.0804 5.9466 5.9466 6.0600 6.0600 7.1499 7.1499 7.4154 7.4154 7.7810 7.7810 8.1474 8.1474 k = 0.4028 0.2630 0.7953 ( 4696 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9452 -30.9452 -30.9431 -30.9431 -23.1809 -23.1809 -23.1700 -23.1700 -23.0734 -23.0734 -23.0611 -23.0611 -0.8727 -0.8727 -0.7370 -0.7370 3.5203 3.5203 4.0758 4.0758 4.4254 4.4254 5.0616 5.0616 5.9965 5.9965 6.1226 6.1226 7.1275 7.1275 7.4041 7.4041 7.7896 7.7896 8.1309 8.1309 k = 0.4167 0.2721 0.7845 ( 4699 PWs) bands (ev): -56.7324 -56.7324 -56.7320 -56.7320 -30.9451 -30.9451 -30.9431 -30.9431 -23.1804 -23.1804 -23.1705 -23.1705 -23.0729 -23.0729 -23.0616 -23.0616 -0.8700 -0.8700 -0.7425 -0.7425 3.5152 3.5152 3.9966 3.9966 4.4869 4.4869 5.0438 5.0438 6.0418 6.0418 6.1767 6.1767 7.1131 7.1131 7.3908 7.3908 7.8003 7.8003 8.1060 8.1060 k = 0.4306 0.2812 0.7736 ( 4705 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9451 -30.9451 -30.9433 -30.9433 -23.1800 -23.1800 -23.1709 -23.1709 -23.0724 -23.0724 -23.0621 -23.0621 -0.8658 -0.8658 -0.7500 -0.7500 3.5128 3.5128 3.9153 3.9153 4.5567 4.5567 5.0268 5.0268 6.0823 6.0823 6.2194 6.2194 7.1095 7.1095 7.3757 7.3757 7.8127 7.8127 8.0772 8.0772 k = 0.4444 0.2902 0.7628 ( 4697 PWs) bands (ev): -56.7323 -56.7323 -56.7320 -56.7320 -30.9449 -30.9449 -30.9434 -30.9434 -23.1795 -23.1795 -23.1713 -23.1713 -23.0719 -23.0719 -23.0626 -23.0626 -0.8598 -0.8598 -0.7596 -0.7596 3.5132 3.5132 3.8354 3.8354 4.6313 4.6313 5.0108 5.0108 6.1178 6.1178 6.2482 6.2482 7.1191 7.1191 7.3591 7.3591 7.8261 7.8261 8.0465 8.0465 k = 0.4583 0.2993 0.7520 ( 4697 PWs) bands (ev): -56.7323 -56.7323 -56.7321 -56.7321 -30.9447 -30.9447 -30.9435 -30.9435 -23.1791 -23.1791 -23.1715 -23.1715 -23.0714 -23.0714 -23.0631 -23.0631 -0.8522 -0.8522 -0.7712 -0.7712 3.5162 3.5162 3.7585 3.7585 4.7090 4.7090 4.9958 4.9958 6.1480 6.1480 6.2618 6.2618 7.1428 7.1428 7.3413 7.3413 7.8396 7.8396 8.0155 8.0155 k = 0.4722 0.3084 0.7411 ( 4700 PWs) bands (ev): -56.7323 -56.7323 -56.7321 -56.7321 -30.9446 -30.9446 -30.9437 -30.9437 -23.1789 -23.1789 -23.1717 -23.1717 -23.0711 -23.0711 -23.0635 -23.0635 -0.8429 -0.8429 -0.7849 -0.7849 3.5214 3.5214 3.6857 3.6857 4.7888 4.7888 4.9820 4.9820 6.1727 6.1727 6.2609 6.2609 7.1800 7.1800 7.3228 7.3228 7.8520 7.8520 7.9860 7.9860 k = 0.4861 0.3174 0.7303 ( 4686 PWs) bands (ev): -56.7322 -56.7322 -56.7321 -56.7321 -30.9443 -30.9443 -30.9438 -30.9438 -23.1787 -23.1787 -23.1716 -23.1716 -23.0709 -23.0709 -23.0637 -23.0637 -0.8321 -0.8321 -0.8005 -0.8005 3.5273 3.5273 3.6190 3.6190 4.8695 4.8695 4.9701 4.9701 6.1904 6.1904 6.2487 6.2487 7.2281 7.2281 7.3042 7.3042 7.8605 7.8605 7.9610 7.9610 k = 0.5000 0.3265 0.7195 ( 4692 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9440 -30.9440 -23.1787 -23.1787 -23.1714 -23.1714 -23.0710 -23.0710 -23.0637 -23.0637 -0.8230 -0.8230 -0.8148 -0.8148 3.5216 3.5216 3.5708 3.5708 4.9392 4.9392 4.9714 4.9714 6.1941 6.1941 6.2350 6.2350 7.2774 7.2774 7.2922 7.2922 7.8604 7.8604 7.9454 7.9454 k = 0.5000 0.3265 0.7195 ( 4692 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9440 -30.9440 -23.1787 -23.1787 -23.1714 -23.1714 -23.0710 -23.0710 -23.0637 -23.0637 -0.8230 -0.8230 -0.8148 -0.8148 3.5216 3.5216 3.5708 3.5708 4.9392 4.9392 4.9714 4.9714 6.1941 6.1941 6.2350 6.2350 7.2774 7.2774 7.2922 7.2922 7.8604 7.8604 7.9454 7.9454 k = 0.5000 0.3265 0.7000 ( 4712 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9442 -30.9442 -30.9441 -30.9441 -23.1789 -23.1789 -23.1710 -23.1710 -23.0715 -23.0715 -23.0636 -23.0636 -0.8286 -0.8286 -0.8198 -0.8198 3.4781 3.4781 3.5280 3.5280 5.0032 5.0032 5.0352 5.0352 6.1778 6.1778 6.2212 6.2212 7.3128 7.3128 7.3314 7.3314 7.8492 7.8492 7.9292 7.9292 k = 0.5000 0.3265 0.6806 ( 4702 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9441 -30.9441 -23.1789 -23.1789 -23.1705 -23.1705 -23.0719 -23.0719 -23.0634 -23.0634 -0.8350 -0.8350 -0.8256 -0.8256 3.4387 3.4387 3.4892 3.4892 5.0659 5.0659 5.0976 5.0976 6.1617 6.1617 6.2073 6.2073 7.3498 7.3498 7.3727 7.3727 7.8378 7.8378 7.9125 7.9125 k = 0.5000 0.3265 0.6611 ( 4710 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9441 -30.9441 -23.1790 -23.1790 -23.1700 -23.1700 -23.0723 -23.0723 -23.0633 -23.0633 -0.8423 -0.8423 -0.8324 -0.8324 3.4038 3.4038 3.4547 3.4547 5.1270 5.1270 5.1588 5.1588 6.1459 6.1459 6.1936 6.1936 7.3878 7.3878 7.4156 7.4156 7.8260 7.8260 7.8952 7.8952 k = 0.5000 0.3265 0.6417 ( 4718 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9442 -30.9442 -30.9441 -30.9441 -23.1790 -23.1790 -23.1695 -23.1695 -23.0728 -23.0728 -23.0632 -23.0632 -0.8506 -0.8506 -0.8402 -0.8402 3.3736 3.3736 3.4249 3.4249 5.1867 5.1867 5.2185 5.2185 6.1307 6.1307 6.1804 6.1804 7.4260 7.4260 7.4590 7.4590 7.8135 7.8135 7.8771 7.8771 k = 0.5000 0.3265 0.6222 ( 4726 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9442 -30.9442 -30.9442 -30.9442 -23.1790 -23.1790 -23.1691 -23.1691 -23.0732 -23.0732 -23.0632 -23.0632 -0.8598 -0.8598 -0.8490 -0.8490 3.3484 3.3484 3.4000 3.4000 5.2448 5.2448 5.2768 5.2768 6.1162 6.1162 6.1678 6.1678 7.4635 7.4635 7.5017 7.5017 7.8006 7.8006 7.8583 7.8583 k = 0.5000 0.3265 0.6028 ( 4718 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9441 -30.9441 -23.1790 -23.1790 -23.1686 -23.1686 -23.0736 -23.0736 -23.0631 -23.0631 -0.8700 -0.8700 -0.8588 -0.8588 3.3283 3.3283 3.3801 3.3801 5.3013 5.3013 5.3338 5.3338 6.1028 6.1028 6.1562 6.1562 7.4989 7.4989 7.5416 7.5416 7.7882 7.7882 7.8391 7.8391 k = 0.5000 0.3265 0.5834 ( 4718 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9441 -30.9441 -23.1789 -23.1789 -23.1681 -23.1681 -23.0739 -23.0739 -23.0630 -23.0630 -0.8812 -0.8812 -0.8698 -0.8698 3.3135 3.3135 3.3654 3.3654 5.3564 5.3564 5.3895 5.3895 6.0904 6.0904 6.1456 6.1456 7.5303 7.5303 7.5752 7.5752 7.7785 7.7785 7.8202 7.8202 k = 0.5000 0.3265 0.5639 ( 4706 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1787 -23.1787 -23.1676 -23.1676 -23.0742 -23.0742 -23.0630 -23.0630 -0.8935 -0.8935 -0.8818 -0.8818 3.3040 3.3040 3.3560 3.3560 5.4101 5.4101 5.4439 5.4439 6.0794 6.0794 6.1362 6.1362 7.5553 7.5553 7.5971 7.5971 7.7756 7.7756 7.8031 7.8031 k = 0.5000 0.3265 0.5445 ( 4690 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9439 -30.9439 -30.9439 -30.9439 -23.1785 -23.1785 -23.1671 -23.1671 -23.0745 -23.0745 -23.0630 -23.0630 -0.9067 -0.9067 -0.8950 -0.8950 3.3001 3.3001 3.3520 3.3520 5.4623 5.4623 5.4970 5.4970 6.0698 6.0698 6.1284 6.1284 7.5705 7.5705 7.6020 7.6020 7.7835 7.7835 7.7900 7.7900 k = 0.5000 0.3265 0.5250 ( 4686 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9439 -30.9439 -30.9438 -30.9438 -23.1784 -23.1784 -23.1666 -23.1666 -23.0748 -23.0748 -23.0630 -23.0630 -0.9209 -0.9209 -0.9091 -0.9091 3.3016 3.3016 3.3534 3.3534 5.5131 5.5131 5.5490 5.5490 6.0620 6.0620 6.1222 6.1222 7.5726 7.5726 7.5898 7.5898 7.7833 7.7833 7.8011 7.8011 k = 0.5000 0.3265 0.5056 ( 4690 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9439 -30.9439 -30.9439 -30.9439 -23.1782 -23.1782 -23.1663 -23.1663 -23.0751 -23.0751 -23.0630 -23.0630 -0.9360 -0.9360 -0.9242 -0.9242 3.3087 3.3087 3.3603 3.3603 5.5625 5.5625 5.5995 5.5995 6.0561 6.0561 6.1180 6.1180 7.5604 7.5604 7.5649 7.5649 7.7834 7.7834 7.8229 7.8229 k = 0.5000 0.3265 0.4861 ( 4688 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9439 -30.9439 -30.9438 -30.9438 -23.1780 -23.1780 -23.1659 -23.1659 -23.0753 -23.0753 -23.0631 -23.0631 -0.9520 -0.9520 -0.9402 -0.9402 3.3212 3.3212 3.3725 3.3725 5.6102 5.6102 5.6484 5.6484 6.0525 6.0525 6.1160 6.1160 7.5315 7.5315 7.5361 7.5361 7.7879 7.7879 7.8439 7.8439 k = 0.5000 0.3265 0.4667 ( 4684 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9438 -30.9438 -30.9438 -30.9438 -23.1777 -23.1777 -23.1655 -23.1655 -23.0755 -23.0755 -23.0632 -23.0632 -0.9687 -0.9687 -0.9571 -0.9571 3.3391 3.3391 3.3901 3.3901 5.6560 5.6560 5.6953 5.6953 6.0519 6.0519 6.1165 6.1165 7.4919 7.4919 7.5025 7.5025 7.7935 7.7935 7.8615 7.8615 k = 0.5000 0.3265 0.4472 ( 4682 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9438 -30.9438 -30.9438 -30.9438 -23.1775 -23.1775 -23.1652 -23.1652 -23.0757 -23.0757 -23.0634 -23.0634 -0.9860 -0.9860 -0.9746 -0.9746 3.3623 3.3623 3.4129 3.4129 5.6995 5.6995 5.7394 5.7394 6.0548 6.0548 6.1201 6.1201 7.4478 7.4478 7.4624 7.4624 7.7980 7.7980 7.8745 7.8745 k = 0.5000 0.3265 0.4278 ( 4686 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9438 -30.9438 -30.9438 -30.9438 -23.1772 -23.1772 -23.1649 -23.1649 -23.0759 -23.0759 -23.0635 -23.0635 -1.0040 -1.0040 -0.9927 -0.9927 3.3907 3.3907 3.4408 3.4408 5.7400 5.7400 5.7797 5.7797 6.0623 6.0623 6.1272 6.1272 7.4000 7.4000 7.4176 7.4176 7.8000 7.8000 7.8825 7.8825 k = 0.5000 0.3265 0.4083 ( 4684 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9438 -30.9438 -30.9437 -30.9437 -23.1769 -23.1769 -23.1646 -23.1646 -23.0760 -23.0760 -23.0637 -23.0637 -1.0223 -1.0223 -1.0114 -1.0114 3.4242 3.4242 3.4738 3.4738 5.7769 5.7769 5.8148 5.8148 6.0758 6.0758 6.1385 6.1385 7.3494 7.3494 7.3693 7.3693 7.7992 7.7992 7.8858 7.8858 k = 0.5000 0.3265 0.3889 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9437 -30.9437 -30.9437 -30.9437 -23.1765 -23.1765 -23.1644 -23.1644 -23.0761 -23.0761 -23.0639 -23.0639 -1.0409 -1.0409 -1.0303 -1.0303 3.4625 3.4625 3.5115 3.5115 5.8094 5.8094 5.8434 5.8434 6.0961 6.0961 6.1546 6.1546 7.2968 7.2968 7.3186 7.3186 7.7956 7.7956 7.8849 7.8849 k = 0.5000 0.3265 0.3695 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9437 -30.9437 -30.9436 -30.9436 -23.1761 -23.1761 -23.1642 -23.1642 -23.0762 -23.0762 -23.0641 -23.0641 -1.0597 -1.0597 -1.0495 -1.0495 3.5054 3.5054 3.5538 3.5538 5.8365 5.8365 5.8647 5.8647 6.1237 6.1237 6.1758 6.1758 7.2431 7.2431 7.2666 7.2666 7.7893 7.7893 7.8802 7.8802 k = 0.5000 0.3265 0.3500 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9437 -30.9437 -30.9436 -30.9436 -23.1758 -23.1758 -23.1640 -23.1640 -23.0762 -23.0762 -23.0644 -23.0644 -1.0785 -1.0785 -1.0687 -1.0687 3.5528 3.5528 3.6005 3.6005 5.8579 5.8579 5.8792 5.8792 6.1577 6.1577 6.2021 6.2021 7.1894 7.1894 7.2143 7.2143 7.7807 7.7807 7.8724 7.8724 k = 0.5000 0.3265 0.3306 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9436 -30.9436 -23.1754 -23.1754 -23.1639 -23.1639 -23.0762 -23.0762 -23.0646 -23.0646 -1.0972 -1.0972 -1.0878 -1.0878 3.6044 3.6044 3.6513 3.6513 5.8735 5.8735 5.8878 5.8878 6.1963 6.1963 6.2327 6.2327 7.1369 7.1369 7.1630 7.1630 7.7702 7.7702 7.8620 7.8620 k = 0.5000 0.3265 0.3111 ( 4682 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9436 -30.9436 -23.1750 -23.1750 -23.1639 -23.1639 -23.0762 -23.0762 -23.0650 -23.0650 -1.1157 -1.1157 -1.1067 -1.1067 3.6599 3.6599 3.7060 3.7060 5.8832 5.8832 5.8914 5.8914 6.2373 6.2373 6.2663 6.2663 7.0871 7.0871 7.1143 7.1143 7.7581 7.7581 7.8494 7.8494 k = 0.5000 0.3265 0.2917 ( 4674 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9436 -30.9436 -23.1745 -23.1745 -23.1638 -23.1638 -23.0761 -23.0761 -23.0653 -23.0653 -1.1337 -1.1337 -1.1253 -1.1253 3.7190 3.7190 3.7642 3.7642 5.8873 5.8873 5.8906 5.8906 6.2786 6.2786 6.3012 6.3012 7.0420 7.0420 7.0700 7.0700 7.7448 7.7448 7.8350 7.8350 k = 0.5000 0.3265 0.2722 ( 4674 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9435 -30.9435 -23.1741 -23.1741 -23.1638 -23.1638 -23.0760 -23.0760 -23.0656 -23.0656 -1.1512 -1.1512 -1.1433 -1.1433 3.7814 3.7814 3.8257 3.8257 5.8856 5.8856 5.8859 5.8859 6.3180 6.3180 6.3352 6.3352 7.0039 7.0039 7.0323 7.0323 7.7307 7.7307 7.8191 7.8191 k = 0.5000 0.3265 0.2528 ( 4674 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9435 -30.9435 -23.1736 -23.1736 -23.1638 -23.1638 -23.0758 -23.0758 -23.0660 -23.0660 -1.1681 -1.1681 -1.1607 -1.1607 3.8468 3.8468 3.8900 3.8900 5.8763 5.8763 5.8787 5.8787 6.3532 6.3532 6.3658 6.3658 6.9756 6.9756 7.0041 7.0041 7.7160 7.7160 7.8022 7.8022 k = 0.5000 0.3265 0.2333 ( 4680 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9435 -30.9435 -23.1732 -23.1732 -23.1639 -23.1639 -23.0757 -23.0757 -23.0664 -23.0664 -1.1843 -1.1843 -1.1774 -1.1774 3.9148 3.9148 3.9569 3.9569 5.8620 5.8620 5.8654 5.8654 6.3819 6.3819 6.3907 6.3907 6.9600 6.9600 6.9880 6.9880 7.7012 7.7012 7.7846 7.7846 k = 0.5000 0.3265 0.2139 ( 4684 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9436 -30.9436 -30.9436 -30.9436 -23.1727 -23.1727 -23.1641 -23.1641 -23.0755 -23.0755 -23.0668 -23.0668 -1.1995 -1.1995 -1.1932 -1.1932 3.9849 3.9849 4.0257 4.0257 5.8425 5.8425 5.8457 5.8457 6.4026 6.4026 6.4083 6.4083 6.9590 6.9590 6.9863 6.9863 7.6866 7.6866 7.7667 7.7667 k = 0.5000 0.3265 0.1945 ( 4668 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9435 -30.9435 -30.9434 -30.9434 -23.1722 -23.1722 -23.1642 -23.1642 -23.0752 -23.0752 -23.0671 -23.0671 -1.2138 -1.2138 -1.2080 -1.2080 4.0567 4.0567 4.0961 4.0961 5.8171 5.8171 5.8193 5.8193 6.4150 6.4150 6.4183 6.4183 6.9732 6.9732 6.9995 6.9995 7.6728 7.6728 7.7492 7.7492 k = 0.5000 0.3265 0.1750 ( 4660 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1717 -23.1717 -23.1643 -23.1643 -23.0749 -23.0749 -23.0675 -23.0675 -1.2269 -1.2269 -1.2217 -1.2217 4.1295 4.1295 4.1674 4.1674 5.7858 5.7858 5.7863 5.7863 6.4205 6.4205 6.4221 6.4221 7.0010 7.0010 7.0264 7.0264 7.6603 7.6603 7.7325 7.7325 k = 0.5000 0.3265 0.1556 ( 4664 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1712 -23.1712 -23.1645 -23.1645 -23.0746 -23.0746 -23.0680 -23.0680 -1.2389 -1.2389 -1.2343 -1.2343 4.2028 4.2028 4.2389 4.2389 5.7472 5.7472 5.7488 5.7488 6.4211 6.4211 6.4220 6.4220 7.0394 7.0394 7.0641 7.0641 7.6498 7.6498 7.7176 7.7176 k = 0.5000 0.3265 0.1361 ( 4662 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1707 -23.1707 -23.1648 -23.1648 -23.0743 -23.0743 -23.0684 -23.0684 -1.2497 -1.2497 -1.2456 -1.2456 4.2755 4.2755 4.3096 4.3096 5.7030 5.7030 5.7068 5.7068 6.4194 6.4194 6.4200 6.4200 7.0850 7.0850 7.1089 7.1089 7.6423 7.6423 7.7052 7.7052 k = 0.5000 0.3265 0.1167 ( 4670 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1703 -23.1703 -23.1651 -23.1651 -23.0740 -23.0740 -23.0688 -23.0688 -1.2591 -1.2591 -1.2556 -1.2556 4.3467 4.3467 4.3783 4.3783 5.6554 5.6554 5.6612 5.6612 6.4169 6.4169 6.4175 6.4175 7.1340 7.1340 7.1571 7.1571 7.6390 7.6390 7.6964 7.6964 k = 0.5000 0.3265 0.0972 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9435 -30.9435 -30.9435 -30.9435 -23.1698 -23.1698 -23.1655 -23.1655 -23.0736 -23.0736 -23.0693 -23.0693 -1.2671 -1.2671 -1.2642 -1.2642 4.4149 4.4149 4.4435 4.4435 5.6064 5.6064 5.6137 5.6137 6.4146 6.4146 6.4153 6.4153 7.1830 7.1830 7.2047 7.2047 7.6410 7.6410 7.6923 7.6923 k = 0.5000 0.3265 0.0778 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9435 -30.9435 -30.9435 -30.9435 -23.1693 -23.1693 -23.1658 -23.1658 -23.0733 -23.0733 -23.0698 -23.0698 -1.2737 -1.2737 -1.2714 -1.2714 4.4782 4.4782 4.5031 4.5031 5.5589 5.5589 5.5669 5.5669 6.4129 6.4129 6.4136 6.4136 7.2285 7.2285 7.2477 7.2477 7.6496 7.6496 7.6937 7.6937 k = 0.5000 0.3265 0.0583 ( 4672 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1688 -23.1688 -23.1662 -23.1662 -23.0728 -23.0728 -23.0702 -23.0702 -1.2788 -1.2788 -1.2771 -1.2771 4.5340 4.5340 4.5544 4.5544 5.5160 5.5160 5.5237 5.5237 6.4118 6.4118 6.4125 6.4125 7.2671 7.2671 7.2827 7.2827 7.6649 7.6649 7.7002 7.7002 k = 0.5000 0.3265 0.0389 ( 4672 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1683 -23.1683 -23.1666 -23.1666 -23.0724 -23.0724 -23.0706 -23.0706 -1.2824 -1.2824 -1.2812 -1.2812 4.5793 4.5793 4.5938 4.5938 5.4815 5.4815 5.4877 5.4877 6.4113 6.4113 6.4119 6.4119 7.2964 7.2964 7.3072 7.3072 7.6845 7.6845 7.7094 7.7094 k = 0.5000 0.3265 0.0194 ( 4672 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9434 -30.9434 -30.9434 -30.9434 -23.1679 -23.1679 -23.1670 -23.1670 -23.0719 -23.0719 -23.0711 -23.0711 -1.2844 -1.2844 -1.2838 -1.2838 4.6103 4.6103 4.6179 4.6179 5.4595 5.4595 5.4630 5.4630 6.4111 6.4111 6.4114 6.4114 7.3151 7.3151 7.3206 7.3206 7.7033 7.7033 7.7163 7.7163 k = 0.5000 0.3265-0.0000 ( 4682 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9435 -30.9435 -30.9435 -30.9435 -23.1675 -23.1675 -23.1675 -23.1675 -23.0715 -23.0715 -23.0715 -23.0715 -1.2849 -1.2849 -1.2849 -1.2849 4.6237 4.6237 4.6237 4.6237 5.4531 5.4531 5.4531 5.4531 6.4112 6.4112 6.4112 6.4112 7.3232 7.3232 7.3232 7.3232 7.7150 7.7150 7.7150 7.7150 k = 0.0000 0.0000 0.9145 ( 4666 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1760 -23.1760 -23.1759 -23.1759 -23.0667 -23.0667 -23.0667 -23.0667 -0.7985 -0.7985 -0.7985 -0.7985 4.0123 4.0123 4.0124 4.0124 4.3991 4.3991 4.3991 4.3991 6.3092 6.3092 6.3092 6.3092 7.0913 7.0913 7.0913 7.0913 8.0301 8.0301 8.0301 8.0301 k = 0.0167 0.0109 0.9145 ( 4668 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1769 -23.1769 -23.1750 -23.1750 -23.0676 -23.0676 -23.0658 -23.0658 -0.7990 -0.7990 -0.7980 -0.7980 3.9938 3.9938 4.0205 4.0205 4.3957 4.3957 4.4190 4.4190 6.2927 6.2927 6.3076 6.3076 7.0877 7.0877 7.1064 7.1064 8.0108 8.0108 8.0473 8.0473 k = 0.0333 0.0218 0.9145 ( 4674 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1778 -23.1778 -23.1741 -23.1741 -23.0686 -23.0686 -23.0649 -23.0649 -0.7995 -0.7995 -0.7975 -0.7975 3.9682 3.9682 4.0171 4.0171 4.4100 4.4100 4.4520 4.4520 6.2599 6.2599 6.2880 6.2880 7.0956 7.0956 7.1312 7.1312 7.9907 7.9907 8.0590 8.0590 k = 0.0500 0.0327 0.9145 ( 4666 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9440 -30.9440 -23.1786 -23.1786 -23.1732 -23.1732 -23.0695 -23.0695 -23.0640 -23.0640 -0.7999 -0.7999 -0.7970 -0.7970 3.9388 3.9388 4.0040 4.0040 4.4400 4.4400 4.4949 4.4949 6.2135 6.2135 6.2521 6.2521 7.1134 7.1134 7.1630 7.1630 7.9705 7.9705 8.0597 8.0597 k = 0.0667 0.0435 0.9145 ( 4658 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9439 -30.9439 -30.9439 -30.9439 -23.1793 -23.1793 -23.1722 -23.1722 -23.0704 -23.0704 -23.0632 -23.0632 -0.8003 -0.8003 -0.7966 -0.7966 3.9080 3.9080 3.9846 3.9846 4.4823 4.4823 4.5452 4.5452 6.1565 6.1565 6.2028 6.2028 7.1383 7.1383 7.1989 7.1989 7.9508 7.9508 8.0475 8.0475 k = 0.0833 0.0544 0.9145 ( 4662 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9439 -30.9439 -23.1801 -23.1801 -23.1714 -23.1714 -23.0713 -23.0713 -23.0624 -23.0624 -0.8007 -0.8007 -0.7961 -0.7961 3.8776 3.8776 3.9620 3.9620 4.5337 4.5337 4.6011 4.6011 6.0912 6.0912 6.1432 6.1432 7.1677 7.1677 7.2365 7.2365 7.9316 7.9316 8.0285 8.0285 k = 0.1000 0.0653 0.9145 ( 4664 PWs) bands (ev): -56.7321 -56.7321 -56.7321 -56.7321 -30.9440 -30.9440 -30.9439 -30.9439 -23.1808 -23.1808 -23.1705 -23.1705 -23.0721 -23.0721 -23.0617 -23.0617 -0.8011 -0.8011 -0.7956 -0.7956 3.8486 3.8486 3.9385 3.9385 4.5919 4.5919 4.6617 4.6617 6.0197 6.0197 6.0757 6.0757 7.1991 7.1991 7.2741 7.2741 7.9133 7.9133 8.0075 8.0075 k = 0.1167 0.0762 0.9145 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1815 -23.1815 -23.1698 -23.1698 -23.0730 -23.0730 -23.0612 -23.0612 -0.8014 -0.8014 -0.7952 -0.7952 3.8216 3.8216 3.9156 3.9156 4.6553 4.6553 4.7261 4.7261 5.9436 5.9436 6.0026 6.0026 7.2306 7.2306 7.3104 7.3104 7.8960 7.8960 7.9868 7.9868 k = 0.1333 0.0871 0.9145 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1821 -23.1821 -23.1690 -23.1690 -23.0737 -23.0737 -23.0606 -23.0606 -0.8017 -0.8017 -0.7948 -0.7948 3.7971 3.7971 3.8942 3.8942 4.7229 4.7229 4.7938 4.7938 5.8642 5.8642 5.9254 5.9254 7.2610 7.2610 7.3442 7.3442 7.8798 7.8798 7.9672 7.9672 k = 0.1500 0.0980 0.9145 ( 4684 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9440 -30.9440 -23.1826 -23.1826 -23.1684 -23.1684 -23.0744 -23.0744 -23.0601 -23.0601 -0.8019 -0.8019 -0.7944 -0.7944 3.7754 3.7754 3.8749 3.8749 4.7939 4.7939 4.8643 4.8643 5.7822 5.7822 5.8453 5.8453 7.2891 7.2891 7.3751 7.3751 7.8648 7.8648 7.9492 7.9492 k = 0.1667 0.1088 0.9145 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1831 -23.1831 -23.1678 -23.1678 -23.0749 -23.0749 -23.0596 -23.0596 -0.8022 -0.8022 -0.7941 -0.7941 3.7568 3.7568 3.8581 3.8581 4.8679 4.8679 4.9372 4.9372 5.6986 5.6986 5.7634 5.7634 7.3143 7.3143 7.4023 7.4023 7.8514 7.8514 7.9333 7.9333 k = 0.1833 0.1197 0.9145 ( 4676 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9440 -30.9440 -30.9440 -30.9440 -23.1834 -23.1834 -23.1673 -23.1673 -23.0754 -23.0754 -23.0592 -23.0592 -0.8023 -0.8023 -0.7938 -0.7938 3.7414 3.7414 3.8441 3.8441 4.9443 4.9443 5.0122 5.0122 5.6140 5.6140 5.6806 5.6806 7.3358 7.3358 7.4254 7.4254 7.8396 7.8396 7.9196 7.9196 k = 0.2000 0.1306 0.9145 ( 4682 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9440 -30.9440 -23.1837 -23.1837 -23.1669 -23.1669 -23.0759 -23.0759 -23.0589 -23.0589 -0.8025 -0.8025 -0.7936 -0.7936 3.7293 3.7293 3.8330 3.8330 5.0228 5.0228 5.0886 5.0886 5.5291 5.5291 5.5978 5.5978 7.3531 7.3531 7.4440 7.4440 7.8300 7.8300 7.9086 7.9086 k = 0.2167 0.1415 0.9145 ( 4682 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9441 -30.9441 -30.9440 -30.9440 -23.1839 -23.1839 -23.1666 -23.1666 -23.0762 -23.0762 -23.0587 -23.0587 -0.8026 -0.8026 -0.7935 -0.7935 3.7206 3.7206 3.8250 3.8250 5.1026 5.1026 5.1653 5.1653 5.4445 5.4445 5.5164 5.5164 7.3659 7.3659 7.4577 7.4577 7.8227 7.8227 7.9004 7.9004 k = 0.2333 0.1524 0.9145 ( 4698 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9442 -30.9442 -30.9441 -30.9441 -23.1841 -23.1841 -23.1665 -23.1665 -23.0764 -23.0764 -23.0587 -23.0587 -0.8026 -0.8026 -0.7934 -0.7934 3.7154 3.7154 3.8202 3.8202 5.1823 5.1823 5.2384 5.2384 5.3619 5.3619 5.4403 5.4403 7.3737 7.3737 7.4660 7.4660 7.8182 7.8182 7.8954 7.8954 k = 0.2500 0.1633 0.9145 ( 4696 PWs) bands (ev): -56.7322 -56.7322 -56.7322 -56.7322 -30.9442 -30.9442 -30.9441 -30.9441 -23.1841 -23.1841 -23.1665 -23.1665 -23.0764 -23.0764 -23.0586 -23.0586 -0.8026 -0.8026 -0.7933 -0.7933 3.7136 3.7136 3.8186 3.8186 5.2403 5.2403 5.2816 5.2816 5.3029 5.3029 5.3962 5.3962 7.3763 7.3763 7.4688 7.4688 7.8167 7.8167 7.8937 7.8937 Writing output data file HfGe.save init_run : 0.23s CPU 0.39s WALL ( 1 calls) electrons : 138.07s CPU 139.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 138.07s CPU 139.70s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 309 calls) cegterg : 123.52s CPU 124.73s WALL ( 341 calls) Called by sum_band: Called by *egterg: h_psi : 94.15s CPU 95.16s WALL ( 5867 calls) s_psi : 3.18s CPU 3.02s WALL ( 5867 calls) g_psi : 0.18s CPU 0.18s WALL ( 5217 calls) cdiaghg : 29.02s CPU 29.31s WALL ( 5526 calls) cegterg:over : 3.54s CPU 3.61s WALL ( 5217 calls) cegterg:upda : 3.17s CPU 3.25s WALL ( 5217 calls) cegterg:last : 1.75s CPU 1.83s WALL ( 1091 calls) cdiaghg:chol : 1.78s CPU 1.69s WALL ( 5526 calls) cdiaghg:inve : 0.94s CPU 0.92s WALL ( 5526 calls) cdiaghg:para : 1.60s CPU 1.67s WALL ( 11052 calls) Called by h_psi: h_psi:vloc : 88.53s CPU 89.56s WALL ( 5867 calls) h_psi:vnl : 5.43s CPU 5.44s WALL ( 5867 calls) add_vuspsi : 2.73s CPU 2.76s WALL ( 5867 calls) General routines calbec : 2.68s CPU 2.66s WALL ( 5867 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 83.63s CPU 84.73s WALL ( 554008 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 618 calls) Parallel routines fft_scatter : 27.26s CPU 27.39s WALL ( 554031 calls) PWSCF : 2m30.72s CPU 2m46.16s WALL This run was terminated on: 19:10:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=