Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:57: 0 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: ./HgF2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized 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 43 21 6 1134 377 61 Max 44 22 7 1137 385 63 Sum 1561 757 223 40857 13731 2229 bravais-lattice index = 14 lattice parameter (alat) = 7.4028 a.u. unit-cell volume = 286.8572 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.402759 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 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 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) F 7.00 18.99840 F( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 381 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 -0.0050645 0.0071623), wk = 0.0026247 k( 3) = ( 0.0175439 -0.0101290 0.0143245), wk = 0.0026247 k( 4) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0026247 k( 5) = ( 0.0350877 -0.0202579 0.0286490), wk = 0.0026247 k( 6) = ( 0.0438597 -0.0253224 0.0358113), wk = 0.0026247 k( 7) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0026247 k( 8) = ( 0.0614035 -0.0354513 0.0501358), wk = 0.0026247 k( 9) = ( 0.0701754 -0.0405158 0.0572980), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0026247 k( 11) = ( 0.0877193 -0.0506448 0.0716225), wk = 0.0026247 k( 12) = ( 0.0964912 -0.0557092 0.0787848), wk = 0.0026247 k( 13) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0026247 k( 14) = ( 0.1140351 -0.0658382 0.0931093), wk = 0.0026247 k( 15) = ( 0.1228070 -0.0709027 0.1002715), wk = 0.0026247 k( 16) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0026247 k( 17) = ( 0.1403509 -0.0810316 0.1145960), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0860961 0.1217583), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0026247 k( 21) = ( 0.1754386 -0.1012895 0.1432450), wk = 0.0026247 k( 22) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0026247 k( 23) = ( 0.1929825 -0.1114185 0.1575695), wk = 0.0026247 k( 24) = ( 0.2017544 -0.1164830 0.1647318), wk = 0.0026247 k( 25) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0026247 k( 26) = ( 0.2192983 -0.1266119 0.1790563), wk = 0.0026247 k( 27) = ( 0.2280702 -0.1316764 0.1862185), wk = 0.0026247 k( 28) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0026247 k( 29) = ( 0.2456140 -0.1418053 0.2005430), wk = 0.0026247 k( 30) = ( 0.2543860 -0.1468698 0.2077053), wk = 0.0026247 k( 31) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0026247 k( 32) = ( 0.2719298 -0.1569988 0.2220298), wk = 0.0026247 k( 33) = ( 0.2807018 -0.1620632 0.2291920), wk = 0.0026247 k( 34) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0026247 k( 35) = ( 0.2982456 -0.1721922 0.2435165), wk = 0.0026247 k( 36) = ( 0.3070175 -0.1772567 0.2506788), wk = 0.0026247 k( 37) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0026247 k( 38) = ( 0.3245614 -0.1873856 0.2650033), wk = 0.0026247 k( 39) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0026247 k( 40) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0026247 k( 41) = ( 0.3508772 -0.2025790 0.2864900), wk = 0.0026247 k( 42) = ( 0.3596491 -0.2076435 0.2936523), wk = 0.0026247 k( 43) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0026247 k( 44) = ( 0.3771930 -0.2177725 0.3079768), wk = 0.0026247 k( 45) = ( 0.3859649 -0.2228369 0.3151390), wk = 0.0026247 k( 46) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0026247 k( 47) = ( 0.4035088 -0.2329659 0.3294635), wk = 0.0026247 k( 48) = ( 0.4122807 -0.2380304 0.3366258), wk = 0.0026247 k( 49) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0026247 k( 50) = ( 0.4298246 -0.2481593 0.3509503), wk = 0.0026247 k( 51) = ( 0.4385965 -0.2532238 0.3581125), wk = 0.0026247 k( 52) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0026247 k( 53) = ( 0.4561404 -0.2633528 0.3724370), wk = 0.0026247 k( 54) = ( 0.4649123 -0.2684172 0.3795993), wk = 0.0026247 k( 55) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0026247 k( 56) = ( 0.4824561 -0.2785462 0.3939238), wk = 0.0026247 k( 57) = ( 0.4912281 -0.2836107 0.4010860), wk = 0.0026247 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 60) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0026247 k( 61) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0026247 k( 62) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0026247 k( 63) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0026247 k( 64) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0026247 k( 65) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0026247 k( 66) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0026247 k( 67) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0026247 k( 68) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0026247 k( 69) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0026247 k( 70) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0026247 k( 71) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0026247 k( 72) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0026247 k( 73) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0026247 k( 74) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0026247 k( 75) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0026247 k( 76) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0026247 k( 77) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0026247 k( 78) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0026247 k( 79) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0026247 k( 80) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0026247 k( 81) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0026247 k( 82) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0026247 k( 83) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0026247 k( 84) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0026247 k( 85) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0026247 k( 86) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0026247 k( 87) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0026247 k( 88) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 89) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 90) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0026247 k( 91) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0026247 k( 92) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0026247 k( 93) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0026247 k( 94) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0026247 k( 95) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0026247 k( 96) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0026247 k( 97) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0026247 k( 98) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0026247 k( 99) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0026247 k( 100) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0026247 k( 101) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0026247 k( 102) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0026247 k( 103) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0026247 k( 104) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0026247 k( 105) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0026247 k( 106) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0026247 k( 107) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0026247 k( 108) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0026247 k( 109) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0026247 k( 110) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 112) = ( 0.3688525 0.2129571 0.6023335), wk = 0.0026247 k( 113) = ( 0.3627049 0.2094078 0.5922947), wk = 0.0026247 k( 114) = ( 0.3565574 0.2058585 0.5822558), wk = 0.0026247 k( 115) = ( 0.3504098 0.2023092 0.5722169), wk = 0.0026247 k( 116) = ( 0.3442623 0.1987599 0.5621780), wk = 0.0026247 k( 117) = ( 0.3381148 0.1952106 0.5521391), wk = 0.0026247 k( 118) = ( 0.3319672 0.1916614 0.5421002), wk = 0.0026247 k( 119) = ( 0.3258197 0.1881121 0.5320613), wk = 0.0026247 k( 120) = ( 0.3196721 0.1845628 0.5220224), wk = 0.0026247 k( 121) = ( 0.3135246 0.1810135 0.5119835), wk = 0.0026247 k( 122) = ( 0.3073770 0.1774642 0.5019446), wk = 0.0026247 k( 123) = ( 0.3012295 0.1739149 0.4919057), wk = 0.0026247 k( 124) = ( 0.2950820 0.1703657 0.4818668), wk = 0.0026247 k( 125) = ( 0.2889344 0.1668164 0.4718279), wk = 0.0026247 k( 126) = ( 0.2827869 0.1632671 0.4617890), wk = 0.0026247 k( 127) = ( 0.2766393 0.1597178 0.4517502), wk = 0.0026247 k( 128) = ( 0.2704918 0.1561685 0.4417113), wk = 0.0026247 k( 129) = ( 0.2643443 0.1526192 0.4316724), wk = 0.0026247 k( 130) = ( 0.2581967 0.1490699 0.4216335), wk = 0.0026247 k( 131) = ( 0.2520492 0.1455207 0.4115946), wk = 0.0026247 k( 132) = ( 0.2459016 0.1419714 0.4015557), wk = 0.0026247 k( 133) = ( 0.2397541 0.1384221 0.3915168), wk = 0.0026247 k( 134) = ( 0.2336066 0.1348728 0.3814779), wk = 0.0026247 k( 135) = ( 0.2274590 0.1313235 0.3714390), wk = 0.0026247 k( 136) = ( 0.2213115 0.1277742 0.3614001), wk = 0.0026247 k( 137) = ( 0.2151639 0.1242250 0.3513612), wk = 0.0026247 k( 138) = ( 0.2090164 0.1206757 0.3413223), wk = 0.0026247 k( 139) = ( 0.2028688 0.1171264 0.3312834), wk = 0.0026247 k( 140) = ( 0.1967213 0.1135771 0.3212446), wk = 0.0026247 k( 141) = ( 0.1905738 0.1100278 0.3112057), wk = 0.0026247 k( 142) = ( 0.1844262 0.1064785 0.3011668), wk = 0.0026247 k( 143) = ( 0.1782787 0.1029292 0.2911279), wk = 0.0026247 k( 144) = ( 0.1721312 0.0993800 0.2810890), wk = 0.0026247 k( 145) = ( 0.1659836 0.0958307 0.2710501), wk = 0.0026247 k( 146) = ( 0.1598361 0.0922814 0.2610112), wk = 0.0026247 k( 147) = ( 0.1536885 0.0887321 0.2509723), wk = 0.0026247 k( 148) = ( 0.1475410 0.0851828 0.2409334), wk = 0.0026247 k( 149) = ( 0.1413934 0.0816335 0.2308945), wk = 0.0026247 k( 150) = ( 0.1352459 0.0780843 0.2208556), wk = 0.0026247 k( 151) = ( 0.1290984 0.0745350 0.2108167), wk = 0.0026247 k( 152) = ( 0.1229508 0.0709857 0.2007778), wk = 0.0026247 k( 153) = ( 0.1168033 0.0674364 0.1907390), wk = 0.0026247 k( 154) = ( 0.1106557 0.0638871 0.1807001), wk = 0.0026247 k( 155) = ( 0.1045082 0.0603378 0.1706612), wk = 0.0026247 k( 156) = ( 0.0983607 0.0567886 0.1606223), wk = 0.0026247 k( 157) = ( 0.0922131 0.0532393 0.1505834), wk = 0.0026247 k( 158) = ( 0.0860656 0.0496900 0.1405445), wk = 0.0026247 k( 159) = ( 0.0799180 0.0461407 0.1305056), wk = 0.0026247 k( 160) = ( 0.0737705 0.0425914 0.1204667), wk = 0.0026247 k( 161) = ( 0.0676230 0.0390421 0.1104278), wk = 0.0026247 k( 162) = ( 0.0614754 0.0354928 0.1003889), wk = 0.0026247 k( 163) = ( 0.0553279 0.0319436 0.0903500), wk = 0.0026247 k( 164) = ( 0.0491803 0.0283943 0.0803111), wk = 0.0026247 k( 165) = ( 0.0430328 0.0248450 0.0702722), wk = 0.0026247 k( 166) = ( 0.0368853 0.0212957 0.0602333), wk = 0.0026247 k( 167) = ( 0.0307377 0.0177464 0.0501945), wk = 0.0026247 k( 168) = ( 0.0245902 0.0141971 0.0401556), wk = 0.0026247 k( 169) = ( 0.0184426 0.0106479 0.0301167), wk = 0.0026247 k( 170) = ( 0.0122951 0.0070986 0.0200778), wk = 0.0026247 k( 171) = ( 0.0061475 0.0035493 0.0100389), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0057735 0.0040825), wk = 0.0026247 k( 175) = ( 0.0200000 0.0115470 0.0081650), wk = 0.0026247 k( 176) = ( 0.0300000 0.0173205 0.0122474), wk = 0.0026247 k( 177) = ( 0.0400000 0.0230940 0.0163299), wk = 0.0026247 k( 178) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0026247 k( 179) = ( 0.0600000 0.0346410 0.0244949), wk = 0.0026247 k( 180) = ( 0.0700000 0.0404145 0.0285774), wk = 0.0026247 k( 181) = ( 0.0800000 0.0461880 0.0326599), wk = 0.0026247 k( 182) = ( 0.0900000 0.0519615 0.0367423), wk = 0.0026247 k( 183) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0026247 k( 184) = ( 0.1100000 0.0635085 0.0449073), wk = 0.0026247 k( 185) = ( 0.1200000 0.0692820 0.0489898), wk = 0.0026247 k( 186) = ( 0.1300000 0.0750555 0.0530723), wk = 0.0026247 k( 187) = ( 0.1400000 0.0808290 0.0571548), wk = 0.0026247 k( 188) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0026247 k( 189) = ( 0.1600000 0.0923760 0.0653197), wk = 0.0026247 k( 190) = ( 0.1700000 0.0981495 0.0694022), wk = 0.0026247 k( 191) = ( 0.1800000 0.1039230 0.0734847), wk = 0.0026247 k( 192) = ( 0.1900000 0.1096966 0.0775672), wk = 0.0026247 k( 193) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0026247 k( 194) = ( 0.2100000 0.1212436 0.0857321), wk = 0.0026247 k( 195) = ( 0.2200000 0.1270171 0.0898146), wk = 0.0026247 k( 196) = ( 0.2300000 0.1327906 0.0938971), wk = 0.0026247 k( 197) = ( 0.2400000 0.1385641 0.0979796), wk = 0.0026247 k( 198) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0026247 k( 199) = ( 0.2600000 0.1501111 0.1061446), wk = 0.0026247 k( 200) = ( 0.2700000 0.1558846 0.1102270), wk = 0.0026247 k( 201) = ( 0.2800000 0.1616581 0.1143095), wk = 0.0026247 k( 202) = ( 0.2900000 0.1674316 0.1183920), wk = 0.0026247 k( 203) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0026247 k( 204) = ( 0.3100000 0.1789786 0.1265570), wk = 0.0026247 k( 205) = ( 0.3200000 0.1847521 0.1306395), wk = 0.0026247 k( 206) = ( 0.3300000 0.1905256 0.1347219), wk = 0.0026247 k( 207) = ( 0.3400000 0.1962991 0.1388044), wk = 0.0026247 k( 208) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0026247 k( 209) = ( 0.3600000 0.2078461 0.1469694), wk = 0.0026247 k( 210) = ( 0.3700000 0.2136196 0.1510519), wk = 0.0026247 k( 211) = ( 0.3800000 0.2193931 0.1551344), wk = 0.0026247 k( 212) = ( 0.3900000 0.2251666 0.1592168), wk = 0.0026247 k( 213) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0026247 k( 214) = ( 0.4100000 0.2367136 0.1673818), wk = 0.0026247 k( 215) = ( 0.4200000 0.2424871 0.1714643), wk = 0.0026247 k( 216) = ( 0.4300000 0.2482606 0.1755468), wk = 0.0026247 k( 217) = ( 0.4400000 0.2540341 0.1796292), wk = 0.0026247 k( 218) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0026247 k( 219) = ( 0.4600000 0.2655811 0.1877942), wk = 0.0026247 k( 220) = ( 0.4700000 0.2713546 0.1918767), wk = 0.0026247 k( 221) = ( 0.4800000 0.2771281 0.1959592), wk = 0.0026247 k( 222) = ( 0.4900000 0.2829016 0.2000417), wk = 0.0026247 k( 223) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 224) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 225) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026247 k( 226) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026247 k( 227) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026247 k( 228) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026247 k( 229) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026247 k( 230) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026247 k( 231) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026247 k( 232) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026247 k( 233) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026247 k( 234) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026247 k( 235) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026247 k( 236) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026247 k( 237) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026247 k( 238) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026247 k( 239) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026247 k( 240) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026247 k( 241) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026247 k( 242) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026247 k( 243) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026247 k( 244) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026247 k( 245) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026247 k( 246) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026247 k( 247) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026247 k( 248) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026247 k( 249) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026247 k( 250) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026247 k( 251) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026247 k( 252) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0026247 k( 253) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026247 k( 254) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026247 k( 255) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026247 k( 256) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026247 k( 257) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026247 k( 258) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026247 k( 259) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 260) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 261) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0026247 k( 262) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0026247 k( 263) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0026247 k( 264) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0026247 k( 265) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0026247 k( 266) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0026247 k( 267) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0026247 k( 268) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0026247 k( 269) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0026247 k( 270) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0026247 k( 271) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0026247 k( 272) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0026247 k( 273) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0026247 k( 274) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0026247 k( 275) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0026247 k( 276) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0026247 k( 277) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0026247 k( 278) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0026247 k( 279) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0026247 k( 280) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0026247 k( 281) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 282) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 283) = ( 0.5000000 0.0070409 0.6024152), wk = 0.0026247 k( 284) = ( 0.5000000 0.0140817 0.5924579), wk = 0.0026247 k( 285) = ( 0.5000000 0.0211226 0.5825006), wk = 0.0026247 k( 286) = ( 0.5000000 0.0281634 0.5725433), wk = 0.0026247 k( 287) = ( 0.5000000 0.0352043 0.5625861), wk = 0.0026247 k( 288) = ( 0.5000000 0.0422451 0.5526288), wk = 0.0026247 k( 289) = ( 0.5000000 0.0492860 0.5426715), wk = 0.0026247 k( 290) = ( 0.5000000 0.0563269 0.5327142), wk = 0.0026247 k( 291) = ( 0.5000000 0.0633677 0.5227570), wk = 0.0026247 k( 292) = ( 0.5000000 0.0704086 0.5127997), wk = 0.0026247 k( 293) = ( 0.5000000 0.0774494 0.5028424), wk = 0.0026247 k( 294) = ( 0.5000000 0.0844903 0.4928851), wk = 0.0026247 k( 295) = ( 0.5000000 0.0915311 0.4829279), wk = 0.0026247 k( 296) = ( 0.5000000 0.0985720 0.4729706), wk = 0.0026247 k( 297) = ( 0.5000000 0.1056128 0.4630133), wk = 0.0026247 k( 298) = ( 0.5000000 0.1126537 0.4530560), wk = 0.0026247 k( 299) = ( 0.5000000 0.1196946 0.4430987), wk = 0.0026247 k( 300) = ( 0.5000000 0.1267354 0.4331415), wk = 0.0026247 k( 301) = ( 0.5000000 0.1337763 0.4231842), wk = 0.0026247 k( 302) = ( 0.5000000 0.1408171 0.4132269), wk = 0.0026247 k( 303) = ( 0.5000000 0.1478580 0.4032697), wk = 0.0026247 k( 304) = ( 0.5000000 0.1548989 0.3933124), wk = 0.0026247 k( 305) = ( 0.5000000 0.1619397 0.3833551), wk = 0.0026247 k( 306) = ( 0.5000000 0.1689806 0.3733978), wk = 0.0026247 k( 307) = ( 0.5000000 0.1760214 0.3634406), wk = 0.0026247 k( 308) = ( 0.5000000 0.1830623 0.3534833), wk = 0.0026247 k( 309) = ( 0.5000000 0.1901031 0.3435260), wk = 0.0026247 k( 310) = ( 0.5000000 0.1971440 0.3335687), wk = 0.0026247 k( 311) = ( 0.5000000 0.2041849 0.3236114), wk = 0.0026247 k( 312) = ( 0.5000000 0.2112257 0.3136542), wk = 0.0026247 k( 313) = ( 0.5000000 0.2182666 0.3036969), wk = 0.0026247 k( 314) = ( 0.5000000 0.2253074 0.2937396), wk = 0.0026247 k( 315) = ( 0.5000000 0.2323483 0.2837824), wk = 0.0026247 k( 316) = ( 0.5000000 0.2393891 0.2738251), wk = 0.0026247 k( 317) = ( 0.5000000 0.2464300 0.2638678), wk = 0.0026247 k( 318) = ( 0.5000000 0.2534709 0.2539105), wk = 0.0026247 k( 319) = ( 0.5000000 0.2605117 0.2439532), wk = 0.0026247 k( 320) = ( 0.5000000 0.2675526 0.2339960), wk = 0.0026247 k( 321) = ( 0.5000000 0.2745934 0.2240387), wk = 0.0026247 k( 322) = ( 0.5000000 0.2816343 0.2140814), wk = 0.0026247 k( 323) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 324) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 325) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026247 k( 326) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026247 k( 327) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026247 k( 328) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026247 k( 329) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026247 k( 330) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026247 k( 331) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026247 k( 332) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026247 k( 333) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026247 k( 334) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026247 k( 335) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026247 k( 336) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026247 k( 337) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026247 k( 338) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026247 k( 339) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026247 k( 340) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026247 k( 341) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026247 k( 342) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026247 k( 343) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026247 k( 344) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026247 k( 345) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026247 k( 346) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026247 k( 347) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026247 k( 348) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026247 k( 349) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026247 k( 350) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026247 k( 351) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026247 k( 352) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026247 k( 353) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026247 k( 354) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026247 k( 355) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026247 k( 356) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026247 k( 357) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026247 k( 358) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026247 k( 359) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 360) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 361) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0026247 k( 362) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0026247 k( 363) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0026247 k( 364) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0026247 k( 365) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0026247 k( 366) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0026247 k( 367) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0026247 k( 368) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0026247 k( 369) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0026247 k( 370) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0026247 k( 371) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0026247 k( 372) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0026247 k( 373) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0026247 k( 374) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0026247 k( 375) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0026247 k( 376) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0026247 k( 377) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0026247 k( 378) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0026247 k( 379) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0026247 k( 380) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0026247 k( 381) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 -0.0000000 0.0087719), wk = 0.0026247 k( 3) = ( 0.0175439 -0.0000000 0.0175439), wk = 0.0026247 k( 4) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0026247 k( 5) = ( 0.0350877 -0.0000000 0.0350877), wk = 0.0026247 k( 6) = ( 0.0438597 -0.0000000 0.0438597), wk = 0.0026247 k( 7) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0026247 k( 8) = ( 0.0614035 -0.0000000 0.0614035), wk = 0.0026247 k( 9) = ( 0.0701754 -0.0000000 0.0701754), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0026247 k( 11) = ( 0.0877193 -0.0000000 0.0877193), wk = 0.0026247 k( 12) = ( 0.0964912 -0.0000000 0.0964912), wk = 0.0026247 k( 13) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0026247 k( 14) = ( 0.1140351 -0.0000000 0.1140351), wk = 0.0026247 k( 15) = ( 0.1228070 -0.0000000 0.1228070), wk = 0.0026247 k( 16) = ( 0.1315790 -0.0000000 0.1315790), wk = 0.0026247 k( 17) = ( 0.1403509 -0.0000000 0.1403509), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0000000 0.1491228), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0026247 k( 21) = ( 0.1754386 -0.0000000 0.1754386), wk = 0.0026247 k( 22) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0026247 k( 23) = ( 0.1929825 -0.0000000 0.1929825), wk = 0.0026247 k( 24) = ( 0.2017544 -0.0000000 0.2017544), wk = 0.0026247 k( 25) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0026247 k( 26) = ( 0.2192983 -0.0000000 0.2192983), wk = 0.0026247 k( 27) = ( 0.2280702 -0.0000000 0.2280702), wk = 0.0026247 k( 28) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0026247 k( 29) = ( 0.2456140 -0.0000000 0.2456140), wk = 0.0026247 k( 30) = ( 0.2543860 0.0000000 0.2543860), wk = 0.0026247 k( 31) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0026247 k( 32) = ( 0.2719298 0.0000000 0.2719298), wk = 0.0026247 k( 33) = ( 0.2807018 -0.0000000 0.2807018), wk = 0.0026247 k( 34) = ( 0.2894737 -0.0000000 0.2894737), wk = 0.0026247 k( 35) = ( 0.2982456 -0.0000000 0.2982456), wk = 0.0026247 k( 36) = ( 0.3070175 -0.0000000 0.3070175), wk = 0.0026247 k( 37) = ( 0.3157895 -0.0000000 0.3157895), wk = 0.0026247 k( 38) = ( 0.3245614 -0.0000000 0.3245614), wk = 0.0026247 k( 39) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0026247 k( 40) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0026247 k( 41) = ( 0.3508772 -0.0000000 0.3508772), wk = 0.0026247 k( 42) = ( 0.3596491 -0.0000000 0.3596491), wk = 0.0026247 k( 43) = ( 0.3684211 -0.0000000 0.3684211), wk = 0.0026247 k( 44) = ( 0.3771930 -0.0000000 0.3771930), wk = 0.0026247 k( 45) = ( 0.3859649 -0.0000000 0.3859649), wk = 0.0026247 k( 46) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0026247 k( 47) = ( 0.4035088 -0.0000000 0.4035088), wk = 0.0026247 k( 48) = ( 0.4122807 -0.0000000 0.4122807), wk = 0.0026247 k( 49) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0026247 k( 50) = ( 0.4298246 -0.0000000 0.4298246), wk = 0.0026247 k( 51) = ( 0.4385965 -0.0000000 0.4385965), wk = 0.0026247 k( 52) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0026247 k( 53) = ( 0.4561404 -0.0000000 0.4561404), wk = 0.0026247 k( 54) = ( 0.4649123 -0.0000000 0.4649123), wk = 0.0026247 k( 55) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0026247 k( 56) = ( 0.4824561 -0.0000000 0.4824561), wk = 0.0026247 k( 57) = ( 0.4912281 -0.0000000 0.4912281), wk = 0.0026247 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 60) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0026247 k( 61) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0026247 k( 62) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0026247 k( 63) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0026247 k( 64) = ( 0.5000000 0.0431034 0.5431035), wk = 0.0026247 k( 65) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0026247 k( 66) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0026247 k( 67) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0026247 k( 68) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0026247 k( 69) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0026247 k( 70) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0026247 k( 71) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0026247 k( 72) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0026247 k( 73) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0026247 k( 74) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0026247 k( 75) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0026247 k( 76) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0026247 k( 77) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0026247 k( 78) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0026247 k( 79) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0026247 k( 80) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0026247 k( 81) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0026247 k( 82) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0026247 k( 83) = ( 0.5000000 0.2068966 0.7068966), wk = 0.0026247 k( 84) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0026247 k( 85) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0026247 k( 86) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0026247 k( 87) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0026247 k( 88) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 90) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0026247 k( 91) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0026247 k( 92) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0026247 k( 93) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0026247 k( 94) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0026247 k( 95) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0026247 k( 96) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0026247 k( 97) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0026247 k( 98) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0026247 k( 99) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0026247 k( 100) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0026247 k( 101) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0026247 k( 102) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0026247 k( 103) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0026247 k( 104) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0026247 k( 105) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0026247 k( 106) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0026247 k( 107) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0026247 k( 108) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0026247 k( 109) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0026247 k( 110) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 112) = ( 0.3688525 0.3688525 0.7377049), wk = 0.0026247 k( 113) = ( 0.3627049 0.3627049 0.7254098), wk = 0.0026247 k( 114) = ( 0.3565574 0.3565574 0.7131148), wk = 0.0026247 k( 115) = ( 0.3504098 0.3504098 0.7008197), wk = 0.0026247 k( 116) = ( 0.3442623 0.3442623 0.6885246), wk = 0.0026247 k( 117) = ( 0.3381148 0.3381148 0.6762295), wk = 0.0026247 k( 118) = ( 0.3319672 0.3319672 0.6639344), wk = 0.0026247 k( 119) = ( 0.3258197 0.3258197 0.6516393), wk = 0.0026247 k( 120) = ( 0.3196721 0.3196721 0.6393443), wk = 0.0026247 k( 121) = ( 0.3135246 0.3135246 0.6270492), wk = 0.0026247 k( 122) = ( 0.3073770 0.3073771 0.6147541), wk = 0.0026247 k( 123) = ( 0.3012295 0.3012295 0.6024590), wk = 0.0026247 k( 124) = ( 0.2950820 0.2950820 0.5901639), wk = 0.0026247 k( 125) = ( 0.2889344 0.2889344 0.5778689), wk = 0.0026247 k( 126) = ( 0.2827869 0.2827869 0.5655738), wk = 0.0026247 k( 127) = ( 0.2766393 0.2766393 0.5532787), wk = 0.0026247 k( 128) = ( 0.2704918 0.2704918 0.5409836), wk = 0.0026247 k( 129) = ( 0.2643443 0.2643443 0.5286885), wk = 0.0026247 k( 130) = ( 0.2581967 0.2581967 0.5163934), wk = 0.0026247 k( 131) = ( 0.2520492 0.2520492 0.5040984), wk = 0.0026247 k( 132) = ( 0.2459016 0.2459016 0.4918033), wk = 0.0026247 k( 133) = ( 0.2397541 0.2397541 0.4795082), wk = 0.0026247 k( 134) = ( 0.2336066 0.2336066 0.4672131), wk = 0.0026247 k( 135) = ( 0.2274590 0.2274590 0.4549180), wk = 0.0026247 k( 136) = ( 0.2213115 0.2213115 0.4426230), wk = 0.0026247 k( 137) = ( 0.2151639 0.2151639 0.4303279), wk = 0.0026247 k( 138) = ( 0.2090164 0.2090164 0.4180328), wk = 0.0026247 k( 139) = ( 0.2028688 0.2028689 0.4057377), wk = 0.0026247 k( 140) = ( 0.1967213 0.1967213 0.3934426), wk = 0.0026247 k( 141) = ( 0.1905738 0.1905738 0.3811475), wk = 0.0026247 k( 142) = ( 0.1844262 0.1844262 0.3688525), wk = 0.0026247 k( 143) = ( 0.1782787 0.1782787 0.3565574), wk = 0.0026247 k( 144) = ( 0.1721312 0.1721312 0.3442623), wk = 0.0026247 k( 145) = ( 0.1659836 0.1659836 0.3319672), wk = 0.0026247 k( 146) = ( 0.1598361 0.1598361 0.3196721), wk = 0.0026247 k( 147) = ( 0.1536885 0.1536885 0.3073771), wk = 0.0026247 k( 148) = ( 0.1475410 0.1475410 0.2950820), wk = 0.0026247 k( 149) = ( 0.1413934 0.1413934 0.2827869), wk = 0.0026247 k( 150) = ( 0.1352459 0.1352459 0.2704918), wk = 0.0026247 k( 151) = ( 0.1290984 0.1290984 0.2581967), wk = 0.0026247 k( 152) = ( 0.1229508 0.1229508 0.2459016), wk = 0.0026247 k( 153) = ( 0.1168033 0.1168033 0.2336066), wk = 0.0026247 k( 154) = ( 0.1106557 0.1106557 0.2213115), wk = 0.0026247 k( 155) = ( 0.1045082 0.1045082 0.2090164), wk = 0.0026247 k( 156) = ( 0.0983607 0.0983607 0.1967213), wk = 0.0026247 k( 157) = ( 0.0922131 0.0922131 0.1844262), wk = 0.0026247 k( 158) = ( 0.0860656 0.0860656 0.1721312), wk = 0.0026247 k( 159) = ( 0.0799180 0.0799180 0.1598361), wk = 0.0026247 k( 160) = ( 0.0737705 0.0737705 0.1475410), wk = 0.0026247 k( 161) = ( 0.0676230 0.0676230 0.1352459), wk = 0.0026247 k( 162) = ( 0.0614754 0.0614754 0.1229508), wk = 0.0026247 k( 163) = ( 0.0553279 0.0553279 0.1106557), wk = 0.0026247 k( 164) = ( 0.0491803 0.0491803 0.0983607), wk = 0.0026247 k( 165) = ( 0.0430328 0.0430328 0.0860656), wk = 0.0026247 k( 166) = ( 0.0368853 0.0368853 0.0737705), wk = 0.0026247 k( 167) = ( 0.0307377 0.0307377 0.0614754), wk = 0.0026247 k( 168) = ( 0.0245902 0.0245902 0.0491803), wk = 0.0026247 k( 169) = ( 0.0184426 0.0184426 0.0368853), wk = 0.0026247 k( 170) = ( 0.0122951 0.0122951 0.0245902), wk = 0.0026247 k( 171) = ( 0.0061475 0.0061475 0.0122951), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0026247 k( 175) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0026247 k( 176) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0026247 k( 177) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0026247 k( 178) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0026247 k( 179) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0026247 k( 180) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0026247 k( 181) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0026247 k( 182) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0026247 k( 183) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026247 k( 184) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0026247 k( 185) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0026247 k( 186) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0026247 k( 187) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0026247 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0026247 k( 189) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0026247 k( 190) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0026247 k( 191) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0026247 k( 192) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0026247 k( 193) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026247 k( 194) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0026247 k( 195) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0026247 k( 196) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0026247 k( 197) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0026247 k( 198) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026247 k( 199) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0026247 k( 200) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0026247 k( 201) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0026247 k( 202) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0026247 k( 203) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026247 k( 204) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0026247 k( 205) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0026247 k( 206) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0026247 k( 207) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0026247 k( 208) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0026247 k( 209) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0026247 k( 210) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0026247 k( 211) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0026247 k( 212) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0026247 k( 213) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026247 k( 214) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0026247 k( 215) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0026247 k( 216) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0026247 k( 217) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0026247 k( 218) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0026247 k( 219) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0026247 k( 220) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0026247 k( 221) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0026247 k( 222) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0026247 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 225) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026247 k( 226) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026247 k( 227) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026247 k( 228) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026247 k( 229) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026247 k( 230) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026247 k( 231) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026247 k( 232) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026247 k( 233) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026247 k( 234) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026247 k( 235) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026247 k( 236) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026247 k( 237) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026247 k( 238) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026247 k( 239) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026247 k( 240) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026247 k( 241) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026247 k( 242) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026247 k( 243) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026247 k( 244) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026247 k( 245) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026247 k( 246) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026247 k( 247) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026247 k( 248) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026247 k( 249) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026247 k( 250) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026247 k( 251) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026247 k( 252) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026247 k( 253) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026247 k( 254) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026247 k( 255) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026247 k( 256) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026247 k( 257) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026247 k( 258) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026247 k( 259) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 260) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 261) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0026247 k( 262) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0026247 k( 263) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0026247 k( 264) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0026247 k( 265) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0026247 k( 266) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0026247 k( 267) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0026247 k( 268) = ( 0.5773810 0.2500000 0.6726191), wk = 0.0026247 k( 269) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0026247 k( 270) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0026247 k( 271) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0026247 k( 272) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0026247 k( 273) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0026247 k( 274) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0026247 k( 275) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0026247 k( 276) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0026247 k( 277) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0026247 k( 278) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0026247 k( 279) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0026247 k( 280) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0026247 k( 281) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 282) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 283) = ( 0.5000000 0.2560976 0.7439024), wk = 0.0026247 k( 284) = ( 0.5000000 0.2621951 0.7378049), wk = 0.0026247 k( 285) = ( 0.5000000 0.2682927 0.7317073), wk = 0.0026247 k( 286) = ( 0.5000000 0.2743902 0.7256098), wk = 0.0026247 k( 287) = ( 0.5000000 0.2804878 0.7195122), wk = 0.0026247 k( 288) = ( 0.5000000 0.2865854 0.7134146), wk = 0.0026247 k( 289) = ( 0.5000000 0.2926829 0.7073171), wk = 0.0026247 k( 290) = ( 0.5000000 0.2987805 0.7012195), wk = 0.0026247 k( 291) = ( 0.5000000 0.3048781 0.6951219), wk = 0.0026247 k( 292) = ( 0.5000000 0.3109756 0.6890244), wk = 0.0026247 k( 293) = ( 0.5000000 0.3170732 0.6829268), wk = 0.0026247 k( 294) = ( 0.5000000 0.3231707 0.6768293), wk = 0.0026247 k( 295) = ( 0.5000000 0.3292683 0.6707317), wk = 0.0026247 k( 296) = ( 0.5000000 0.3353659 0.6646342), wk = 0.0026247 k( 297) = ( 0.5000000 0.3414634 0.6585366), wk = 0.0026247 k( 298) = ( 0.5000000 0.3475610 0.6524390), wk = 0.0026247 k( 299) = ( 0.5000000 0.3536585 0.6463415), wk = 0.0026247 k( 300) = ( 0.5000000 0.3597561 0.6402439), wk = 0.0026247 k( 301) = ( 0.5000000 0.3658537 0.6341463), wk = 0.0026247 k( 302) = ( 0.5000000 0.3719512 0.6280488), wk = 0.0026247 k( 303) = ( 0.5000000 0.3780488 0.6219512), wk = 0.0026247 k( 304) = ( 0.5000000 0.3841463 0.6158537), wk = 0.0026247 k( 305) = ( 0.5000000 0.3902439 0.6097561), wk = 0.0026247 k( 306) = ( 0.5000000 0.3963415 0.6036585), wk = 0.0026247 k( 307) = ( 0.5000000 0.4024390 0.5975610), wk = 0.0026247 k( 308) = ( 0.5000000 0.4085366 0.5914634), wk = 0.0026247 k( 309) = ( 0.5000000 0.4146342 0.5853658), wk = 0.0026247 k( 310) = ( 0.5000000 0.4207317 0.5792683), wk = 0.0026247 k( 311) = ( 0.5000000 0.4268293 0.5731707), wk = 0.0026247 k( 312) = ( 0.5000000 0.4329268 0.5670732), wk = 0.0026247 k( 313) = ( 0.5000000 0.4390244 0.5609756), wk = 0.0026247 k( 314) = ( 0.5000000 0.4451219 0.5548781), wk = 0.0026247 k( 315) = ( 0.5000000 0.4512195 0.5487805), wk = 0.0026247 k( 316) = ( 0.5000000 0.4573171 0.5426829), wk = 0.0026247 k( 317) = ( 0.5000000 0.4634146 0.5365854), wk = 0.0026247 k( 318) = ( 0.5000000 0.4695122 0.5304878), wk = 0.0026247 k( 319) = ( 0.5000000 0.4756098 0.5243902), wk = 0.0026247 k( 320) = ( 0.5000000 0.4817073 0.5182927), wk = 0.0026247 k( 321) = ( 0.5000000 0.4878049 0.5121951), wk = 0.0026247 k( 322) = ( 0.5000000 0.4939024 0.5060976), wk = 0.0026247 k( 323) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 325) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026247 k( 326) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026247 k( 327) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026247 k( 328) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026247 k( 329) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026247 k( 330) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026247 k( 331) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026247 k( 332) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026247 k( 333) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026247 k( 334) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026247 k( 335) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026247 k( 336) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026247 k( 337) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026247 k( 338) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026247 k( 339) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026247 k( 340) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026247 k( 341) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026247 k( 342) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026247 k( 343) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026247 k( 344) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026247 k( 345) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026247 k( 346) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026247 k( 347) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026247 k( 348) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026247 k( 349) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026247 k( 350) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026247 k( 351) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026247 k( 352) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026247 k( 353) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026247 k( 354) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026247 k( 355) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026247 k( 356) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026247 k( 357) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026247 k( 358) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026247 k( 359) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 360) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 361) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0026247 k( 362) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0026247 k( 363) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0026247 k( 364) = ( 0.6011905 0.2023809 0.6011905), wk = 0.0026247 k( 365) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0026247 k( 366) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0026247 k( 367) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0026247 k( 368) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0026247 k( 369) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0026247 k( 370) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0026247 k( 371) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0026247 k( 372) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0026247 k( 373) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0026247 k( 374) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0026247 k( 375) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0026247 k( 376) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0026247 k( 377) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0026247 k( 378) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0026247 k( 379) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0026247 k( 380) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0026247 k( 381) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 Dense grid: 40857 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 13731 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 108, 34) NL pseudopotentials 0.05 Mb ( 54, 62) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1135) G-vector shells 0.00 Mb ( 338) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 108, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 62, 2, 34) The potential is recalculated from file : ./HgF2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.8 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.7 secs Computing kpt #: 22 total cpu time spent up to now is 4.8 secs Computing kpt #: 23 total cpu time spent up to now is 5.0 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.3 secs Computing kpt #: 26 total cpu time spent up to now is 5.4 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 secs Computing kpt #: 29 total cpu time spent up to now is 5.9 secs Computing kpt #: 30 total cpu time spent up to now is 6.0 secs Computing kpt #: 31 total cpu time spent up to now is 6.2 secs Computing kpt #: 32 total cpu time spent up to now is 6.3 secs Computing kpt #: 33 total cpu time spent up to now is 6.5 secs Computing kpt #: 34 total cpu time spent up to now is 6.6 secs Computing kpt #: 35 total cpu time spent up to now is 6.8 secs Computing kpt #: 36 total cpu time spent up to now is 6.9 secs Computing kpt #: 37 total cpu time spent up to now is 7.1 secs Computing kpt #: 38 total cpu time spent up to now is 7.2 secs Computing kpt #: 39 total cpu time spent up to now is 7.4 secs Computing kpt #: 40 total cpu time spent up to now is 7.6 secs Computing kpt #: 41 total cpu time spent up to now is 7.7 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.2 secs Computing kpt #: 44 total cpu time spent up to now is 8.3 secs Computing kpt #: 45 total cpu time spent up to now is 8.5 secs Computing kpt #: 46 total cpu time spent up to now is 8.6 secs Computing kpt #: 47 total cpu time spent up 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cpu time spent up to now is 11.3 secs Computing kpt #: 64 total cpu time spent up to now is 11.4 secs Computing kpt #: 65 total cpu time spent up to now is 11.6 secs Computing kpt #: 66 total cpu time spent up to now is 11.8 secs Computing kpt #: 67 total cpu time spent up to now is 11.9 secs Computing kpt #: 68 total cpu time spent up to now is 12.0 secs Computing kpt #: 69 total cpu time spent up to now is 12.2 secs Computing kpt #: 70 total cpu time spent up to now is 12.3 secs Computing kpt #: 71 total cpu time spent up to now is 12.5 secs Computing kpt #: 72 total cpu time spent up to now is 12.6 secs Computing kpt #: 73 total cpu time spent up to now is 12.8 secs Computing kpt #: 74 total cpu time spent up to now is 12.9 secs Computing kpt #: 75 total cpu time spent up to now is 13.1 secs Computing kpt #: 76 total cpu time spent up to now is 13.2 secs Computing kpt #: 77 total cpu time spent up to now is 13.4 secs Computing kpt #: 78 total cpu time spent up to now is 13.5 secs Computing kpt #: 79 total cpu time spent up to now is 13.7 secs Computing kpt #: 80 total cpu time spent up to now is 13.8 secs Computing kpt #: 81 total cpu time spent up to now is 14.0 secs Computing kpt #: 82 total cpu time spent up to now is 14.1 secs Computing kpt #: 83 total cpu time spent up to now is 14.3 secs Computing kpt #: 84 total cpu time spent up to now is 14.4 secs Computing kpt #: 85 total cpu time spent up to now is 14.6 secs Computing kpt #: 86 total cpu time spent up to now is 14.7 secs Computing kpt #: 87 total cpu time spent up to now is 14.9 secs Computing kpt #: 88 total cpu time spent up to now is 15.0 secs Computing kpt #: 89 total cpu time spent up to now is 15.2 secs Computing kpt #: 90 total cpu time spent up to now is 15.3 secs Computing kpt #: 91 total cpu time spent up to now is 15.4 secs Computing kpt #: 92 total cpu time spent up to now is 15.6 secs Computing kpt #: 93 total cpu time spent up to now is 15.7 secs Computing kpt #: 94 total cpu time spent up to now is 15.9 secs Computing kpt #: 95 total cpu time spent up to now is 16.0 secs Computing kpt #: 96 total cpu time spent up to now is 16.2 secs Computing kpt #: 97 total cpu time spent up to now is 16.3 secs Computing kpt #: 98 total cpu time spent up to now is 16.5 secs Computing kpt #: 99 total cpu time spent up to now is 16.6 secs Computing kpt #: 100 total cpu time spent up to now is 16.8 secs Computing kpt #: 101 total cpu time spent up to now is 16.9 secs Computing kpt #: 102 total cpu time spent up to now is 17.1 secs Computing kpt #: 103 total cpu time spent up to now is 17.3 secs Computing kpt #: 104 total cpu time spent up to now is 17.4 secs Computing kpt #: 105 total cpu time spent up to now is 17.6 secs Computing kpt #: 106 total cpu time spent up to now is 17.8 secs Computing kpt #: 107 total cpu time spent up to now is 17.9 secs Computing kpt #: 108 total cpu time spent up to now is 18.1 secs Computing kpt #: 109 total cpu time spent up to now is 18.3 secs Computing kpt #: 110 total cpu time spent up to now is 18.5 secs Computing kpt #: 111 total cpu time spent up to now is 18.7 secs Computing kpt #: 112 total cpu time spent up to now is 18.8 secs Computing kpt #: 113 total cpu time spent up to now is 19.0 secs Computing kpt #: 114 total cpu time spent up to now is 19.2 secs Computing kpt #: 115 total cpu time spent up to now is 19.4 secs Computing kpt #: 116 total cpu time spent up to now is 19.6 secs Computing kpt #: 117 total cpu time spent up to now is 19.8 secs Computing kpt #: 118 total cpu time spent up to now is 19.9 secs Computing kpt #: 119 total cpu time spent up to now is 20.1 secs Computing kpt #: 120 total cpu time spent up to now is 20.3 secs Computing kpt #: 121 total cpu time spent up to now is 20.5 secs Computing kpt #: 122 total cpu time spent up to now is 20.6 secs Computing kpt #: 123 total cpu time spent up to now is 20.8 secs Computing kpt #: 124 total cpu time spent up to now is 21.0 secs Computing kpt #: 125 total cpu time spent up to now is 21.1 secs Computing kpt #: 126 total cpu time spent up to now is 21.3 secs Computing kpt #: 127 total cpu time spent up to now is 21.5 secs Computing kpt #: 128 total cpu time spent up to now is 21.6 secs Computing kpt #: 129 total cpu time spent up to now is 21.8 secs Computing kpt #: 130 total cpu time spent up to now is 22.0 secs Computing kpt #: 131 total cpu time spent up to now is 22.1 secs Computing kpt #: 132 total cpu time spent up to now is 22.3 secs Computing kpt #: 133 total cpu time spent up to now is 22.4 secs Computing kpt #: 134 total cpu time spent up to now is 22.6 secs Computing kpt #: 135 total cpu time spent up to now is 22.7 secs Computing kpt #: 136 total cpu time spent up to now is 22.9 secs Computing kpt #: 137 total cpu time spent up to now is 23.1 secs Computing kpt #: 138 total cpu time spent up to now is 23.2 secs Computing kpt #: 139 total cpu time spent up to now is 23.4 secs Computing kpt #: 140 total cpu time spent up to now is 23.5 secs Computing kpt #: 141 total cpu time spent up to now is 23.7 secs Computing kpt #: 142 total cpu time spent up to now is 23.9 secs Computing kpt #: 143 total cpu time spent up to now is 24.0 secs Computing kpt #: 144 total cpu time spent up to now is 24.2 secs Computing kpt #: 145 total cpu time spent up to now is 24.3 secs Computing kpt #: 146 total cpu time spent up to now is 24.5 secs Computing kpt #: 147 total cpu time spent up to now is 24.6 secs Computing kpt #: 148 total cpu time spent up to now is 24.8 secs Computing kpt #: 149 total cpu time spent up to now is 25.0 secs Computing kpt #: 150 total cpu time spent up to now is 25.1 secs Computing kpt #: 151 total cpu time spent up to now is 25.3 secs Computing kpt #: 152 total cpu time spent up to now is 25.4 secs Computing kpt #: 153 total cpu time spent up to now is 25.6 secs Computing kpt #: 154 total cpu time spent up to now is 25.7 secs Computing kpt #: 155 total cpu time spent up to now is 25.9 secs Computing kpt #: 156 total cpu time spent up to now is 26.1 secs Computing kpt #: 157 total cpu time spent up to now is 26.2 secs Computing kpt #: 158 total cpu time spent up to now is 26.4 secs Computing kpt #: 159 total cpu time spent up to now is 26.5 secs Computing kpt #: 160 total cpu time spent up to now is 26.7 secs Computing kpt #: 161 total cpu time spent up to now is 26.8 secs Computing kpt #: 162 total cpu time spent up to now is 26.9 secs Computing kpt #: 163 total cpu time spent up to now is 27.1 secs Computing kpt #: 164 total cpu time spent up to now is 27.2 secs Computing kpt #: 165 total cpu time spent up to now is 27.4 secs Computing kpt #: 166 total cpu time spent up to now is 27.5 secs Computing kpt #: 167 total cpu time spent up to now is 27.7 secs Computing kpt #: 168 total cpu time spent up to now is 27.8 secs Computing kpt #: 169 total cpu time spent up to now is 27.9 secs Computing kpt #: 170 total cpu time spent up to now is 28.1 secs Computing kpt #: 171 total cpu time spent up to now is 28.2 secs Computing kpt #: 172 total cpu time spent up to now is 28.3 secs Computing kpt #: 173 total cpu time spent up to now is 28.5 secs Computing kpt #: 174 total cpu time spent up to now is 28.6 secs Computing kpt #: 175 total cpu time spent up to now is 28.8 secs Computing kpt #: 176 total cpu time spent up to now is 28.9 secs Computing kpt #: 177 total cpu time spent up to now is 29.0 secs Computing kpt #: 178 total cpu time spent up to now is 29.2 secs Computing kpt #: 179 total cpu time spent up to now is 29.3 secs Computing kpt #: 180 total cpu time spent up to now is 29.4 secs Computing kpt #: 181 total cpu time spent up to now is 29.6 secs Computing kpt #: 182 total cpu time spent up to now is 29.7 secs Computing kpt #: 183 total cpu time spent up to now is 29.9 secs Computing kpt #: 184 total cpu time spent up to now is 30.0 secs Computing kpt #: 185 total cpu time spent up to now is 30.2 secs Computing kpt #: 186 total cpu time spent up to now is 30.3 secs Computing kpt #: 187 total cpu time spent up to now is 30.5 secs Computing kpt #: 188 total cpu time spent up to now is 30.6 secs Computing kpt #: 189 total cpu time spent up to now is 30.8 secs Computing kpt #: 190 total cpu time spent up to now is 30.9 secs Computing kpt #: 191 total cpu time spent up to now is 31.1 secs Computing kpt #: 192 total cpu time spent up to now is 31.2 secs Computing kpt #: 193 total cpu time spent up to now is 31.3 secs Computing kpt #: 194 total cpu time spent up to now is 31.5 secs Computing kpt #: 195 total cpu time spent up to now is 31.6 secs Computing kpt #: 196 total cpu time spent up to now is 31.8 secs Computing kpt #: 197 total cpu time spent up to now is 32.0 secs Computing kpt #: 198 total cpu time spent up to now is 32.1 secs Computing kpt #: 199 total cpu time spent up to now is 32.3 secs Computing kpt #: 200 total cpu time spent up to now is 32.4 secs Computing kpt #: 201 total cpu time spent up to now is 32.6 secs Computing kpt #: 202 total cpu time spent up to now is 32.7 secs Computing kpt #: 203 total cpu time spent up to now is 32.9 secs Computing kpt #: 204 total cpu time spent up to now is 33.0 secs Computing kpt #: 205 total cpu time spent up to now is 33.2 secs Computing kpt #: 206 total cpu time spent up to now is 33.3 secs Computing kpt #: 207 total cpu time spent up to now is 33.5 secs Computing kpt #: 208 total cpu time spent up to now is 33.6 secs Computing kpt #: 209 total cpu time spent up to now is 33.8 secs Computing kpt #: 210 total cpu time spent up to now is 33.9 secs Computing kpt #: 211 total cpu time spent up to now is 34.1 secs Computing kpt #: 212 total cpu time spent up to now is 34.2 secs Computing kpt #: 213 total cpu time spent up to now is 34.4 secs Computing kpt #: 214 total cpu time spent up to now is 34.5 secs Computing kpt #: 215 total cpu time spent up to now is 34.7 secs Computing kpt #: 216 total cpu time spent up to now is 34.8 secs Computing kpt #: 217 total cpu time spent up to now is 35.0 secs Computing kpt #: 218 total cpu time spent up to now is 35.1 secs Computing kpt #: 219 total cpu time spent up to now is 35.3 secs Computing kpt #: 220 total cpu time spent up to now is 35.4 secs Computing kpt #: 221 total cpu time spent up to now is 35.6 secs Computing kpt #: 222 total cpu time spent up to now is 35.7 secs Computing kpt #: 223 total cpu time spent up to now is 35.8 secs Computing kpt #: 224 total cpu time spent up to now is 36.0 secs Computing kpt #: 225 total cpu time spent up to now is 36.1 secs Computing kpt #: 226 total cpu time spent up to now is 36.3 secs Computing kpt #: 227 total cpu time spent up to now is 36.5 secs Computing kpt #: 228 total cpu time spent up to now is 36.6 secs Computing kpt #: 229 total cpu time spent up to now is 36.8 secs Computing kpt #: 230 total cpu time spent up to now is 36.9 secs Computing kpt #: 231 total cpu time spent up to now is 37.1 secs Computing kpt #: 232 total cpu time spent up to now is 37.2 secs Computing kpt #: 233 total cpu time spent up to now is 37.4 secs Computing kpt #: 234 total cpu time spent up to now is 37.5 secs Computing kpt #: 235 total cpu time spent up to now is 37.7 secs Computing kpt #: 236 total cpu time spent up to now is 37.8 secs Computing kpt #: 237 total cpu time spent up to now is 38.0 secs Computing kpt #: 238 total cpu time spent up to now is 38.2 secs Computing kpt #: 239 total cpu time spent up to now is 38.3 secs Computing kpt #: 240 total cpu time spent up to now is 38.5 secs Computing kpt #: 241 total cpu time spent up to now is 38.7 secs Computing kpt #: 242 total cpu time spent up to now is 38.8 secs Computing kpt #: 243 total cpu time spent up to now is 39.0 secs Computing kpt #: 244 total cpu time spent up to now is 39.2 secs Computing kpt #: 245 total cpu time spent up to now is 39.3 secs Computing kpt #: 246 total cpu time spent up to now is 39.5 secs Computing kpt #: 247 total cpu time spent up to now is 39.7 secs Computing kpt #: 248 total cpu time spent up to now is 39.9 secs Computing kpt #: 249 total cpu time spent up to now is 40.0 secs Computing kpt #: 250 total cpu time spent up to now is 40.2 secs Computing kpt #: 251 total cpu time spent up to now is 40.4 secs Computing kpt #: 252 total cpu time spent up to now is 40.6 secs Computing kpt #: 253 total cpu time spent up to now is 40.7 secs Computing kpt #: 254 total cpu time spent up to now is 40.9 secs Computing kpt #: 255 total cpu time spent up to now is 41.1 secs Computing kpt #: 256 total cpu time spent up to now is 41.3 secs Computing kpt #: 257 total cpu time spent up to now is 41.5 secs Computing kpt #: 258 total cpu time spent up to now is 41.7 secs Computing kpt #: 259 total cpu time spent up to now is 41.9 secs Computing kpt #: 260 total cpu time spent up to now is 42.0 secs Computing kpt #: 261 total cpu time spent up to now is 42.2 secs Computing kpt #: 262 total cpu time spent up to now is 42.4 secs Computing kpt #: 263 total cpu time spent up to now is 42.5 secs Computing kpt #: 264 total cpu time spent up to now is 42.7 secs Computing kpt #: 265 total cpu time spent up to now is 42.9 secs Computing kpt #: 266 total cpu time spent up to now is 43.0 secs Computing kpt #: 267 total cpu time spent up to now is 43.2 secs Computing kpt #: 268 total cpu time spent up to now is 43.3 secs Computing kpt #: 269 total cpu time spent up to now is 43.5 secs Computing kpt #: 270 total cpu time spent up to now is 43.6 secs Computing kpt #: 271 total cpu time spent up to now is 43.8 secs Computing kpt #: 272 total cpu time spent up to now is 43.9 secs Computing kpt #: 273 total cpu time spent up to now is 44.1 secs Computing kpt #: 274 total cpu time spent up to now is 44.2 secs Computing kpt #: 275 total cpu time spent up to now is 44.4 secs Computing kpt #: 276 total cpu time spent up to now is 44.5 secs Computing kpt #: 277 total cpu time spent up to now is 44.6 secs Computing kpt #: 278 total cpu time spent up to now is 44.8 secs Computing kpt #: 279 total cpu time spent up to now is 44.9 secs Computing kpt #: 280 total cpu time spent up to now is 45.1 secs Computing kpt #: 281 total cpu time spent up to now is 45.2 secs Computing kpt #: 282 total cpu time spent up to now is 45.4 secs Computing kpt #: 283 total cpu time spent up to now is 45.5 secs Computing kpt #: 284 total cpu time spent up to now is 45.7 secs Computing kpt #: 285 total cpu time spent up to now is 45.8 secs Computing kpt #: 286 total cpu time spent up to now is 46.0 secs Computing kpt #: 287 total cpu time spent up to now is 46.1 secs Computing kpt #: 288 total cpu time spent up to now is 46.3 secs Computing kpt #: 289 total cpu time spent up to now is 46.4 secs Computing kpt #: 290 total cpu time spent up to now is 46.6 secs Computing kpt #: 291 total cpu time spent up to now is 46.7 secs Computing kpt #: 292 total cpu time spent up to now is 46.9 secs Computing kpt #: 293 total cpu time spent up to now is 47.0 secs Computing kpt #: 294 total cpu time spent up to now is 47.2 secs Computing kpt #: 295 total cpu time spent up to now is 47.3 secs Computing kpt #: 296 total cpu time spent up to now is 47.5 secs Computing kpt #: 297 total cpu time spent up to now is 47.6 secs Computing kpt #: 298 total cpu time spent up to now is 47.8 secs Computing kpt #: 299 total cpu time spent up to now is 47.9 secs Computing kpt #: 300 total cpu time spent up to now is 48.1 secs Computing kpt #: 301 total cpu time spent up to now is 48.3 secs Computing kpt #: 302 total cpu time spent up to now is 48.4 secs Computing kpt #: 303 total cpu time spent up to now is 48.6 secs Computing kpt #: 304 total cpu time spent up to now is 48.8 secs Computing kpt #: 305 total cpu time spent up to now is 48.9 secs Computing kpt #: 306 total cpu time spent up to now is 49.1 secs Computing kpt #: 307 total cpu time spent up to now is 49.2 secs Computing kpt #: 308 total cpu time spent up to now is 49.4 secs Computing kpt #: 309 total cpu time spent up to now is 49.6 secs Computing kpt #: 310 total cpu time spent up to now is 49.7 secs Computing kpt #: 311 total cpu time spent up to now is 49.9 secs Computing kpt #: 312 total cpu time spent up to now is 50.0 secs Computing kpt #: 313 total cpu time spent up to now is 50.2 secs Computing kpt #: 314 total cpu time spent up to now is 50.3 secs Computing kpt #: 315 total cpu time spent up to now is 50.5 secs Computing kpt #: 316 total cpu time spent up to now is 50.7 secs Computing kpt #: 317 total cpu time spent up to now is 50.8 secs Computing kpt #: 318 total cpu time spent up to now is 51.0 secs Computing kpt #: 319 total cpu time spent up to now is 51.1 secs Computing kpt #: 320 total cpu time spent up to now is 51.3 secs Computing kpt #: 321 total cpu time spent up to now is 51.4 secs Computing kpt #: 322 total cpu time spent up to now is 51.5 secs Computing kpt #: 323 total cpu time spent up to now is 51.7 secs Computing kpt #: 324 total cpu time spent up to now is 51.8 secs Computing kpt #: 325 total cpu time spent up to now is 51.9 secs Computing kpt #: 326 total cpu time spent up to now is 52.1 secs Computing kpt #: 327 total cpu time spent up to now is 52.2 secs Computing kpt #: 328 total cpu time spent up to now is 52.4 secs Computing kpt #: 329 total cpu time spent up to now is 52.5 secs Computing kpt #: 330 total cpu time spent up to now is 52.7 secs Computing kpt #: 331 total cpu time spent up to now is 52.8 secs Computing kpt #: 332 total cpu time spent up to now is 53.0 secs Computing kpt #: 333 total cpu time spent up to now is 53.1 secs Computing kpt #: 334 total cpu time spent up to now is 53.3 secs Computing kpt #: 335 total cpu time spent up to now is 53.4 secs Computing kpt #: 336 total cpu time spent up to now is 53.6 secs Computing kpt #: 337 total cpu time spent up to now is 53.8 secs Computing kpt #: 338 total cpu time spent up to now is 53.9 secs Computing kpt #: 339 total cpu time spent up to now is 54.1 secs Computing kpt #: 340 total cpu time spent up to now is 54.2 secs Computing kpt #: 341 total cpu time spent up to now is 54.4 secs Computing kpt #: 342 total cpu time spent up to now is 54.6 secs Computing kpt #: 343 total cpu time spent up to now is 54.8 secs Computing kpt #: 344 total cpu time spent up to now is 54.9 secs Computing kpt #: 345 total cpu time spent up to now is 55.1 secs Computing kpt #: 346 total cpu time spent up to now is 55.3 secs Computing kpt #: 347 total cpu time spent up to now is 55.4 secs Computing kpt #: 348 total cpu time spent up to now is 55.6 secs Computing kpt #: 349 total cpu time spent up to now is 55.8 secs Computing kpt #: 350 total cpu time spent up to now is 56.0 secs Computing kpt #: 351 total cpu time spent up to now is 56.1 secs Computing kpt #: 352 total cpu time spent up to now is 56.3 secs Computing kpt #: 353 total cpu time spent up to now is 56.5 secs Computing kpt #: 354 total cpu time spent up to now is 56.7 secs Computing kpt #: 355 total cpu time spent up to now is 56.9 secs Computing kpt #: 356 total cpu time spent up to now is 57.0 secs Computing kpt #: 357 total cpu time spent up to now is 57.2 secs Computing kpt #: 358 total cpu time spent up to now is 57.4 secs Computing kpt #: 359 total cpu time spent up to now is 57.6 secs Computing kpt #: 360 total cpu time spent up to now is 57.8 secs Computing kpt #: 361 total cpu time spent up to now is 57.9 secs Computing kpt #: 362 total cpu time spent up to now is 58.1 secs Computing kpt #: 363 total cpu time spent up to now is 58.2 secs Computing kpt #: 364 total cpu time spent up to now is 58.4 secs Computing kpt #: 365 total cpu time spent up to now is 58.5 secs Computing kpt #: 366 total cpu time spent up to now is 58.7 secs Computing kpt #: 367 total cpu time spent up to now is 58.9 secs Computing kpt #: 368 total cpu time spent up to now is 59.0 secs Computing kpt #: 369 total cpu time spent up to now is 59.2 secs Computing kpt #: 370 total cpu time spent up to now is 59.3 secs Computing kpt #: 371 total cpu time spent up to now is 59.5 secs Computing kpt #: 372 total cpu time spent up to now is 59.6 secs Computing kpt #: 373 total cpu time spent up to now is 59.8 secs Computing kpt #: 374 total cpu time spent up to now is 60.0 secs Computing kpt #: 375 total cpu time spent up to now is 60.1 secs Computing kpt #: 376 total cpu time spent up to now is 60.3 secs Computing kpt #: 377 total cpu time spent up to now is 60.4 secs Computing kpt #: 378 total cpu time spent up to now is 60.6 secs Computing kpt #: 379 total cpu time spent up to now is 60.7 secs Computing kpt #: 380 total cpu time spent up to now is 60.9 secs Computing kpt #: 381 total cpu time spent up to now is 61.0 secs ethr = 3.85E-08, avg # of iterations = 14.4 total cpu time spent up to now is 61.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1687 PWs) bands (ev): -15.9107 -15.9107 -14.9926 -14.9926 -0.3406 -0.3406 -0.3406 -0.3406 0.3688 0.3688 1.9931 1.9931 1.9931 1.9931 3.6274 3.6274 3.7565 3.7565 3.7565 3.7565 5.1455 5.1455 5.1455 5.1455 5.6185 5.6185 6.1151 6.1151 15.5826 15.5826 17.5845 17.5845 17.5845 17.5845 k = 0.0088-0.0051 0.0072 ( 1707 PWs) bands (ev): -15.9104 -15.9104 -14.9929 -14.9929 -0.3403 -0.3403 -0.3398 -0.3398 0.3695 0.3695 1.9923 1.9923 1.9933 1.9933 3.6255 3.6255 3.7536 3.7536 3.7562 3.7562 5.1448 5.1448 5.1450 5.1450 5.6178 5.6178 6.1205 6.1205 15.5819 15.5819 17.5780 17.5780 17.5855 17.5855 k = 0.0175-0.0101 0.0143 ( 1723 PWs) bands (ev): -15.9095 -15.9095 -14.9937 -14.9937 -0.3391 -0.3391 -0.3373 -0.3373 0.3717 0.3717 1.9899 1.9899 1.9939 1.9939 3.6197 3.6197 3.7455 3.7455 3.7553 3.7553 5.1429 5.1429 5.1436 5.1436 5.6158 5.6158 6.1367 6.1367 15.5798 15.5798 17.5592 17.5592 17.5886 17.5886 k = 0.0263-0.0152 0.0215 ( 1723 PWs) bands (ev): -15.9080 -15.9080 -14.9949 -14.9949 -0.3371 -0.3371 -0.3330 -0.3330 0.3756 0.3756 1.9860 1.9860 1.9950 1.9950 3.6090 3.6090 3.7334 3.7334 3.7539 3.7539 5.1397 5.1397 5.1413 5.1413 5.6125 5.6125 6.1631 6.1631 15.5762 15.5762 17.5291 17.5291 17.5937 17.5937 k = 0.0351-0.0203 0.0286 ( 1731 PWs) bands (ev): -15.9060 -15.9060 -14.9966 -14.9966 -0.3344 -0.3344 -0.3270 -0.3270 0.3810 0.3810 1.9804 1.9804 1.9966 1.9966 3.5919 3.5919 3.7193 3.7193 3.7517 3.7517 5.1353 5.1353 5.1380 5.1380 5.6079 5.6079 6.1994 6.1994 15.5709 15.5709 17.4893 17.4893 17.6009 17.6009 k = 0.0439-0.0253 0.0358 ( 1731 PWs) bands (ev): -15.9034 -15.9034 -14.9988 -14.9988 -0.3308 -0.3308 -0.3193 -0.3193 0.3879 0.3879 1.9731 1.9731 1.9986 1.9986 3.5673 3.5673 3.7054 3.7054 3.7490 3.7490 5.1296 5.1296 5.1339 5.1339 5.6020 5.6020 6.2446 6.2446 15.5636 15.5636 17.4419 17.4419 17.6101 17.6101 k = 0.0526-0.0304 0.0430 ( 1739 PWs) bands (ev): -15.9003 -15.9003 -15.0014 -15.0014 -0.3264 -0.3264 -0.3100 -0.3100 0.3964 0.3964 1.9640 1.9640 2.0011 2.0011 3.5349 3.5349 3.6929 3.6929 3.7455 3.7455 5.1228 5.1228 5.1288 5.1288 5.5948 5.5948 6.2979 6.2979 15.5539 15.5539 17.3891 17.3891 17.6212 17.6212 k = 0.0614-0.0355 0.0501 ( 1739 PWs) bands (ev): -15.8965 -15.8965 -15.0045 -15.0045 -0.3213 -0.3213 -0.2992 -0.2992 0.4065 0.4065 1.9530 1.9530 2.0040 2.0040 3.4955 3.4955 3.6818 3.6818 3.7413 3.7413 5.1149 5.1149 5.1229 5.1229 5.5865 5.5865 6.3586 6.3586 15.5414 15.5414 17.3330 17.3330 17.6343 17.6343 k = 0.0702-0.0405 0.0573 ( 1735 PWs) bands (ev): -15.8923 -15.8923 -15.0080 -15.0080 -0.3153 -0.3153 -0.2867 -0.2867 0.4182 0.4182 1.9400 1.9400 2.0074 2.0074 3.4506 3.4506 3.6718 3.6718 3.7363 3.7363 5.1060 5.1060 5.1162 5.1162 5.5771 5.5771 6.4257 6.4257 15.5256 15.5256 17.2757 17.2757 17.6492 17.6492 k = 0.0789-0.0456 0.0645 ( 1735 PWs) bands (ev): -15.8874 -15.8874 -15.0120 -15.0120 -0.3086 -0.3086 -0.2728 -0.2728 0.4315 0.4315 1.9247 1.9247 2.0113 2.0113 3.4016 3.4016 3.6622 3.6622 3.7305 3.7305 5.0962 5.0962 5.1087 5.1087 5.5666 5.5666 6.4985 6.4985 15.5061 15.5061 17.2192 17.2192 17.6658 17.6658 k = 0.0877-0.0506 0.0716 ( 1731 PWs) bands (ev): -15.8821 -15.8821 -15.0164 -15.0164 -0.3012 -0.3012 -0.2574 -0.2574 0.4464 0.4464 1.9071 1.9071 2.0156 2.0156 3.3499 3.3499 3.6525 3.6525 3.7238 3.7238 5.0856 5.0856 5.1004 5.1004 5.5550 5.5550 6.5762 6.5762 15.4824 15.4824 17.1651 17.1651 17.6841 17.6841 k = 0.0965-0.0557 0.0788 ( 1731 PWs) bands (ev): -15.8762 -15.8762 -15.0212 -15.0212 -0.2929 -0.2929 -0.2407 -0.2407 0.4629 0.4629 1.8870 1.8870 2.0204 2.0204 3.2965 3.2965 3.6424 3.6424 3.7161 3.7161 5.0743 5.0743 5.0913 5.0913 5.5425 5.5425 6.6582 6.6582 15.4541 15.4541 17.1149 17.1149 17.7041 17.7041 k = 0.1053-0.0608 0.0859 ( 1731 PWs) bands (ev): -15.8699 -15.8699 -15.0264 -15.0264 -0.2840 -0.2840 -0.2226 -0.2226 0.4810 0.4810 1.8643 1.8643 2.0257 2.0257 3.2425 3.2425 3.6317 3.6317 3.7073 3.7073 5.0624 5.0624 5.0816 5.0816 5.5292 5.5292 6.7439 6.7439 15.4209 15.4209 17.0698 17.0698 17.7255 17.7255 k = 0.1140-0.0658 0.0931 ( 1732 PWs) bands (ev): -15.8631 -15.8631 -15.0319 -15.0319 -0.2743 -0.2743 -0.2033 -0.2033 0.5008 0.5008 1.8387 1.8387 2.0315 2.0315 3.1887 3.1887 3.6200 3.6200 3.6974 3.6974 5.0502 5.0502 5.0713 5.0713 5.5151 5.5151 6.8328 6.8328 15.3826 15.3826 17.0305 17.0305 17.7484 17.7484 k = 0.1228-0.0709 0.1003 ( 1720 PWs) bands (ev): -15.8558 -15.8558 -15.0378 -15.0378 -0.2638 -0.2638 -0.1828 -0.1828 0.5223 0.5223 1.8102 1.8102 2.0378 2.0378 3.1357 3.1357 3.6075 3.6075 3.6863 3.6863 5.0377 5.0377 5.0603 5.0603 5.5002 5.5002 6.9244 6.9244 15.3393 15.3393 16.9976 16.9976 17.7726 17.7726 k = 0.1316-0.0760 0.1074 ( 1720 PWs) bands (ev): -15.8480 -15.8480 -15.0441 -15.0441 -0.2527 -0.2527 -0.1612 -0.1612 0.5453 0.5453 1.7786 1.7786 2.0446 2.0446 3.0841 3.0841 3.5937 3.5937 3.6739 3.6739 5.0251 5.0251 5.0488 5.0488 5.4847 5.4847 7.0184 7.0184 15.2911 15.2911 16.9714 16.9714 17.7980 17.7980 k = 0.1404-0.0810 0.1146 ( 1720 PWs) bands (ev): -15.8399 -15.8399 -15.0506 -15.0506 -0.2409 -0.2409 -0.1386 -0.1386 0.5700 0.5700 1.7439 1.7439 2.0520 2.0520 3.0344 3.0344 3.5787 3.5787 3.6601 3.6601 5.0126 5.0126 5.0368 5.0368 5.4687 5.4687 7.1144 7.1144 15.2385 15.2385 16.9517 16.9517 17.8245 17.8245 k = 0.1491-0.0861 0.1218 ( 1720 PWs) bands (ev): -15.8314 -15.8314 -15.0575 -15.0575 -0.2285 -0.2285 -0.1150 -0.1150 0.5964 0.5964 1.7062 1.7062 2.0598 2.0598 2.9869 2.9869 3.5625 3.5625 3.6448 3.6448 5.0002 5.0002 5.0244 5.0244 5.4521 5.4521 7.2122 7.2122 15.1820 15.1820 16.9384 16.9384 17.8520 17.8520 k = 0.1579-0.0912 0.1289 ( 1720 PWs) bands (ev): -15.8225 -15.8225 -15.0646 -15.0646 -0.2154 -0.2154 -0.0906 -0.0906 0.6243 0.6243 1.6654 1.6654 2.0683 2.0683 2.9419 2.9419 3.5448 3.5448 3.6280 3.6280 4.9882 4.9882 5.0115 5.0115 5.4353 5.4353 7.3114 7.3114 15.1221 15.1221 16.9311 16.9311 17.8804 17.8804 k = 0.1667-0.0962 0.1361 ( 1736 PWs) bands (ev): -15.8132 -15.8132 -15.0719 -15.0719 -0.2018 -0.2018 -0.0654 -0.0654 0.6538 0.6538 1.6218 1.6218 2.0773 2.0773 2.8995 2.8995 3.5257 3.5257 3.6095 3.6095 4.9766 4.9766 4.9982 4.9982 5.4181 5.4181 7.4119 7.4119 15.0596 15.0596 16.9292 16.9292 17.9095 17.9095 k = 0.1754-0.1013 0.1432 ( 1724 PWs) bands (ev): -15.8036 -15.8036 -15.0795 -15.0795 -0.1876 -0.1876 -0.0394 -0.0394 0.6849 0.6849 1.5756 1.5756 2.0870 2.0870 2.8598 2.8598 3.5052 3.5052 3.5894 3.5894 4.9655 4.9655 4.9846 4.9846 5.4008 5.4008 7.5135 7.5135 14.9950 14.9950 16.9323 16.9323 17.9393 17.9393 k = 0.1842-0.1064 0.1504 ( 1724 PWs) bands (ev): -15.7938 -15.7938 -15.0873 -15.0873 -0.1730 -0.1730 -0.0127 -0.0127 0.7174 0.7174 1.5270 1.5270 2.0973 2.0973 2.8227 2.8227 3.4833 3.4833 3.5676 3.5676 4.9551 4.9551 4.9705 4.9705 5.3834 5.3834 7.6159 7.6159 14.9290 14.9290 16.9396 16.9396 17.9696 17.9696 k = 0.1930-0.1114 0.1576 ( 1732 PWs) bands (ev): -15.7836 -15.7836 -15.0952 -15.0952 -0.1579 -0.1579 0.0146 0.0146 0.7513 0.7513 1.4763 1.4763 2.1082 2.1082 2.7881 2.7881 3.4599 3.4599 3.5441 3.5441 4.9454 4.9454 4.9561 4.9561 5.3660 5.3660 7.7190 7.7190 14.8621 14.8621 16.9507 16.9507 18.0003 18.0003 k = 0.2018-0.1165 0.1647 ( 1736 PWs) bands (ev): -15.7732 -15.7732 -15.1033 -15.1033 -0.1424 -0.1424 0.0424 0.0424 0.7866 0.7866 1.4240 1.4240 2.1199 2.1199 2.7557 2.7557 3.4352 3.4352 3.5188 3.5188 4.9365 4.9365 4.9412 4.9412 5.3488 5.3488 7.8227 7.8227 14.7950 14.7950 16.9650 16.9650 18.0313 18.0313 k = 0.2105-0.1215 0.1719 ( 1728 PWs) bands (ev): -15.7626 -15.7626 -15.1115 -15.1115 -0.1266 -0.1266 0.0708 0.0708 0.8231 0.8231 1.3706 1.3706 2.1323 2.1323 2.7255 2.7255 3.4093 3.4093 3.4917 3.4917 4.9258 4.9258 4.9285 4.9285 5.3318 5.3318 7.9269 7.9269 14.7281 14.7281 16.9820 16.9820 18.0624 18.0624 k = 0.2193-0.1266 0.1791 ( 1716 PWs) bands (ev): -15.7518 -15.7518 -15.1198 -15.1198 -0.1107 -0.1107 0.0997 0.0997 0.8609 0.8609 1.3162 1.3162 2.1454 2.1454 2.6971 2.6971 3.3821 3.3821 3.4628 3.4628 4.9099 4.9099 4.9214 4.9214 5.3153 5.3153 8.0314 8.0314 14.6617 14.6617 17.0013 17.0013 18.0937 18.0937 k = 0.2281-0.1317 0.1862 ( 1716 PWs) bands (ev): -15.7409 -15.7409 -15.1282 -15.1282 -0.0947 -0.0947 0.1289 0.1289 0.8996 0.8996 1.2616 1.2616 2.1594 2.1594 2.6702 2.6702 3.3538 3.3538 3.4321 3.4321 4.8934 4.8934 4.9151 4.9151 5.2993 5.2993 8.1360 8.1360 14.5963 14.5963 17.0225 17.0225 18.1248 18.1248 k = 0.2368-0.1367 0.1934 ( 1716 PWs) bands (ev): -15.7298 -15.7298 -15.1366 -15.1366 -0.0787 -0.0787 0.1586 0.1586 0.9393 0.9393 1.2070 1.2070 2.1743 2.1743 2.6447 2.6447 3.3245 3.3245 3.3997 3.3997 4.8761 4.8761 4.9098 4.9098 5.2839 5.2839 8.2408 8.2408 14.5322 14.5322 17.0451 17.0451 18.1559 18.1559 k = 0.2456-0.1418 0.2005 ( 1716 PWs) bands (ev): -15.7187 -15.7187 -15.1450 -15.1450 -0.0631 -0.0631 0.1885 0.1885 0.9797 0.9797 1.1531 1.1531 2.1901 2.1901 2.6202 2.6202 3.2944 3.2944 3.3657 3.3657 4.8579 4.8579 4.9053 4.9053 5.2694 5.2694 8.3455 8.3455 14.4696 14.4696 17.0689 17.0689 18.1866 18.1866 k = 0.2544-0.1469 0.2077 ( 1716 PWs) bands (ev): -15.7075 -15.7075 -15.1535 -15.1535 -0.0479 -0.0479 0.2188 0.2188 1.0208 1.0208 1.1003 1.1003 2.2069 2.2069 2.5964 2.5964 3.2638 3.2638 3.3300 3.3300 4.8388 4.8388 4.9018 4.9018 5.2557 5.2557 8.4500 8.4500 14.4087 14.4087 17.0934 17.0934 18.2171 18.2171 k = 0.2632-0.1519 0.2149 ( 1716 PWs) bands (ev): -15.6963 -15.6963 -15.1618 -15.1618 -0.0333 -0.0333 0.2493 0.2493 1.0491 1.0491 1.0624 1.0624 2.2247 2.2247 2.5732 2.5732 3.2327 3.2327 3.2927 3.2927 4.8186 4.8186 4.8990 4.8990 5.2430 5.2430 8.5542 8.5542 14.3498 14.3498 17.1185 17.1185 18.2471 18.2471 k = 0.2719-0.1570 0.2220 ( 1708 PWs) bands (ev): -15.6851 -15.6851 -15.1702 -15.1702 -0.0198 -0.0198 0.2801 0.2801 1.0001 1.0001 1.1044 1.1044 2.2437 2.2437 2.5502 2.5502 3.2014 3.2014 3.2540 3.2540 4.7973 4.7973 4.8971 4.8971 5.2315 5.2315 8.6580 8.6580 14.2930 14.2930 17.1439 17.1439 18.2765 18.2765 k = 0.2807-0.1621 0.2292 ( 1708 PWs) bands (ev): -15.6740 -15.6740 -15.1784 -15.1784 -0.0076 -0.0076 0.3110 0.3110 0.9537 0.9537 1.1465 1.1465 2.2638 2.2638 2.5271 2.5271 3.1702 3.1702 3.2140 3.2140 4.7748 4.7748 4.8959 4.8959 5.2210 5.2210 8.7612 8.7612 14.2384 14.2384 17.1692 17.1692 18.3054 18.3054 k = 0.2895-0.1671 0.2364 ( 1712 PWs) bands (ev): -15.6629 -15.6629 -15.1865 -15.1865 0.0029 0.0029 0.3420 0.3420 0.9106 0.9106 1.1886 1.1886 2.2850 2.2850 2.5039 2.5039 3.1392 3.1392 3.1726 3.1726 4.7510 4.7510 4.8954 4.8954 5.2117 5.2117 8.8637 8.8637 14.1862 14.1862 17.1944 17.1944 18.3335 18.3335 k = 0.2982-0.1722 0.2435 ( 1712 PWs) bands (ev): -15.6520 -15.6520 -15.1945 -15.1945 0.0114 0.0114 0.3731 0.3731 0.8714 0.8714 1.2305 1.2305 2.3076 2.3076 2.4801 2.4801 3.1087 3.1087 3.1301 3.1301 4.7260 4.7260 4.8955 4.8955 5.2035 5.2035 8.9654 8.9654 14.1364 14.1364 17.2190 17.2190 18.3610 18.3610 k = 0.3070-0.1773 0.2507 ( 1716 PWs) bands (ev): -15.6412 -15.6412 -15.2024 -15.2024 0.0173 0.0173 0.4042 0.4042 0.8366 0.8366 1.2722 1.2722 2.3314 2.3314 2.4558 2.4558 3.0789 3.0789 3.0866 3.0866 4.6997 4.6997 4.8962 4.8962 5.1965 5.1965 9.0660 9.0660 14.0891 14.0891 17.2430 17.2430 18.3875 18.3875 k = 0.3158-0.1823 0.2578 ( 1716 PWs) bands (ev): -15.6306 -15.6306 -15.2101 -15.2101 0.0202 0.0202 0.4353 0.4353 0.8067 0.8067 1.3134 1.3134 2.3565 2.3565 2.4307 2.4307 3.0422 3.0422 3.0501 3.0501 4.6722 4.6722 4.8974 4.8974 5.1906 5.1906 9.1654 9.1654 14.0443 14.0443 17.2661 17.2661 18.4132 18.4132 k = 0.3246-0.1874 0.2650 ( 1716 PWs) bands (ev): -15.6203 -15.6203 -15.2175 -15.2175 0.0200 0.0200 0.4663 0.4663 0.7823 0.7823 1.3540 1.3540 2.3830 2.3830 2.4046 2.4046 2.9970 2.9970 3.0225 3.0225 4.6435 4.6435 4.8990 4.8990 5.1856 5.1856 9.2633 9.2633 14.0022 14.0022 17.2879 17.2879 18.4380 18.4380 k = 0.3333-0.1925 0.2722 ( 1712 PWs) bands (ev): -15.6101 -15.6101 -15.2248 -15.2248 0.0163 0.0163 0.4971 0.4971 0.7635 0.7635 1.3940 1.3940 2.3776 2.3776 2.4107 2.4107 2.9511 2.9511 2.9962 2.9962 4.6138 4.6138 4.9010 4.9010 5.1816 5.1816 9.3596 9.3596 13.9628 13.9628 17.3084 17.3084 18.4618 18.4618 k = 0.3421-0.1975 0.2793 ( 1720 PWs) bands (ev): -15.6003 -15.6003 -15.2318 -15.2318 0.0091 0.0091 0.5276 0.5276 0.7505 0.7505 1.4332 1.4332 2.3495 2.3495 2.4395 2.4395 2.9048 2.9048 2.9713 2.9713 4.5831 4.5831 4.9033 4.9033 5.1785 5.1785 9.4540 9.4540 13.9260 13.9260 17.3270 17.3270 18.4846 18.4846 k = 0.3509-0.2026 0.2865 ( 1716 PWs) bands (ev): -15.5908 -15.5908 -15.2385 -15.2385 -0.0013 -0.0013 0.5577 0.5577 0.7431 0.7431 1.4716 1.4716 2.3204 2.3204 2.4694 2.4694 2.8583 2.8583 2.9481 2.9481 4.5516 4.5516 4.9059 4.9059 5.1761 5.1761 9.5463 9.5463 13.8919 13.8919 17.3433 17.3433 18.5062 18.5062 k = 0.3596-0.2076 0.2937 ( 1720 PWs) bands (ev): -15.5817 -15.5817 -15.2450 -15.2450 -0.0146 -0.0146 0.5874 0.5874 0.7410 0.7410 1.5091 1.5091 2.2905 2.2905 2.5001 2.5001 2.8117 2.8117 2.9265 2.9265 4.5194 4.5194 4.9086 4.9086 5.1743 5.1743 9.6361 9.6361 13.8605 13.8605 17.3569 17.3569 18.4322 18.4322 k = 0.3684-0.2127 0.3008 ( 1712 PWs) bands (ev): -15.5730 -15.5730 -15.2511 -15.2511 -0.0304 -0.0304 0.6165 0.6165 0.7436 0.7436 1.5458 1.5458 2.2597 2.2597 2.5310 2.5310 2.7657 2.7657 2.9066 2.9066 4.4866 4.4866 4.9115 4.9115 5.1732 5.1732 9.7232 9.7232 13.8317 13.8317 17.3668 17.3668 18.2997 18.2997 k = 0.3772-0.2178 0.3080 ( 1712 PWs) bands (ev): -15.5646 -15.5646 -15.2570 -15.2570 -0.0479 -0.0479 0.6448 0.6448 0.7504 0.7504 1.5816 1.5816 2.2283 2.2283 2.5608 2.5608 2.7214 2.7214 2.8884 2.8884 4.4535 4.4535 4.9145 4.9145 5.1725 5.1725 9.8072 9.8072 13.8056 13.8056 17.3720 17.3720 18.1764 18.1764 k = 0.3860-0.2228 0.3151 ( 1720 PWs) bands (ev): -15.5567 -15.5567 -15.2625 -15.2625 -0.0666 -0.0666 0.6722 0.6722 0.7606 0.7606 1.6167 1.6167 2.1966 2.1966 2.5850 2.5850 2.6833 2.6833 2.8719 2.8719 4.4202 4.4202 4.9174 4.9174 5.1723 5.1723 9.8878 9.8878 13.7821 13.7821 17.3709 17.3709 18.0641 18.0641 k = 0.3947-0.2279 0.3223 ( 1712 PWs) bands (ev): -15.5492 -15.5492 -15.2677 -15.2677 -0.0860 -0.0860 0.6987 0.6987 0.7736 0.7736 1.6512 1.6512 2.1647 2.1647 2.5856 2.5856 2.6693 2.6693 2.8569 2.8569 4.3870 4.3870 4.9204 4.9204 5.1724 5.1724 9.9646 9.9646 13.7612 13.7612 17.3615 17.3615 17.9654 17.9654 k = 0.4035-0.2330 0.3295 ( 1712 PWs) bands (ev): -15.5423 -15.5423 -15.2725 -15.2725 -0.1053 -0.1053 0.7239 0.7239 0.7887 0.7887 1.6851 1.6851 2.1330 2.1330 2.5542 2.5542 2.6875 2.6875 2.8435 2.8435 4.3542 4.3542 4.9233 4.9233 5.1727 5.1727 10.0373 10.0373 13.7427 13.7427 17.3415 17.3415 17.8831 17.8831 k = 0.4123-0.2380 0.3366 ( 1712 PWs) bands (ev): -15.5359 -15.5359 -15.2769 -15.2769 -0.1243 -0.1243 0.7477 0.7477 0.8053 0.8053 1.7185 1.7185 2.1019 2.1019 2.5122 2.5122 2.7162 2.7162 2.8316 2.8316 4.3220 4.3220 4.9261 4.9261 5.1732 5.1732 10.1055 10.1055 13.7266 13.7266 17.3095 17.3095 17.8190 17.8190 k = 0.4211-0.2431 0.3438 ( 1712 PWs) bands (ev): -15.5300 -15.5300 -15.2810 -15.2810 -0.1425 -0.1425 0.7701 0.7701 0.8228 0.8228 1.7517 1.7517 2.0716 2.0716 2.4680 2.4680 2.7470 2.7470 2.8210 2.8210 4.2908 4.2908 4.9287 4.9287 5.1739 5.1739 10.1687 10.1687 13.7127 13.7127 17.2662 17.2662 17.7730 17.7730 k = 0.4298-0.2482 0.3510 ( 1712 PWs) bands (ev): -15.5247 -15.5247 -15.2846 -15.2846 -0.1595 -0.1595 0.7907 0.7907 0.8406 0.8406 1.7847 1.7847 2.0428 2.0428 2.4233 2.4233 2.7775 2.7775 2.8118 2.8118 4.2610 4.2610 4.9311 4.9311 5.1746 5.1746 10.2266 10.2266 13.7010 13.7010 17.2150 17.2150 17.7423 17.7423 k = 0.4386-0.2532 0.3581 ( 1712 PWs) bands (ev): -15.5199 -15.5199 -15.2878 -15.2878 -0.1750 -0.1750 0.8093 0.8093 0.8581 0.8581 1.8176 1.8176 2.0157 2.0157 2.3790 2.3790 2.8038 2.8038 2.8067 2.8067 4.2330 4.2330 4.9334 4.9334 5.1754 5.1754 10.2787 10.2787 13.6912 13.6912 17.1602 17.1602 17.7231 17.7231 k = 0.4474-0.2583 0.3653 ( 1712 PWs) bands (ev): -15.5158 -15.5158 -15.2907 -15.2907 -0.1889 -0.1889 0.8260 0.8260 0.8748 0.8748 1.8506 1.8506 1.9908 1.9908 2.3353 2.3353 2.7970 2.7970 2.8339 2.8339 4.2073 4.2073 4.9353 4.9353 5.1761 5.1761 10.3248 10.3248 13.6832 13.6832 17.1063 17.1063 17.7114 17.7114 k = 0.4561-0.2634 0.3724 ( 1712 PWs) bands (ev): -15.5123 -15.5123 -15.2931 -15.2931 -0.2010 -0.2010 0.8403 0.8403 0.8901 0.8901 1.8836 1.8836 1.9686 1.9686 2.2928 2.2928 2.7914 2.7914 2.8582 2.8582 4.1843 4.1843 4.9371 4.9371 5.1768 5.1768 10.3645 10.3645 13.6768 13.6768 17.0566 17.0566 17.7047 17.7047 k = 0.4649-0.2684 0.3796 ( 1716 PWs) bands (ev): -15.5094 -15.5094 -15.2951 -15.2951 -0.2111 -0.2111 0.8523 0.8523 0.9035 0.9035 1.9166 1.9166 1.9496 1.9496 2.2517 2.2517 2.7869 2.7869 2.8792 2.8792 4.1645 4.1645 4.9385 4.9385 5.1774 5.1774 10.3974 10.3974 13.6719 13.6719 17.0133 17.0133 17.7009 17.7009 k = 0.4737-0.2735 0.3868 ( 1716 PWs) bands (ev): -15.5071 -15.5071 -15.2966 -15.2966 -0.2190 -0.2190 0.8618 0.8618 0.9145 0.9145 1.9343 1.9343 1.9490 1.9490 2.2127 2.2127 2.7834 2.7834 2.8963 2.8963 4.1485 4.1485 4.9396 4.9396 5.1779 5.1779 10.4233 10.4233 13.6683 13.6683 16.9782 16.9782 17.6989 17.6989 k = 0.4825-0.2785 0.3939 ( 1724 PWs) bands (ev): -15.5055 -15.5055 -15.2978 -15.2978 -0.2247 -0.2247 0.8686 0.8686 0.9227 0.9227 1.9230 1.9230 1.9796 1.9796 2.1772 2.1772 2.7809 2.7809 2.9089 2.9089 4.1367 4.1367 4.9405 4.9405 5.1782 5.1782 10.4419 10.4419 13.6658 13.6658 16.9524 16.9524 17.6979 17.6979 k = 0.4912-0.2836 0.4011 ( 1724 PWs) bands (ev): -15.5045 -15.5045 -15.2984 -15.2984 -0.2282 -0.2282 0.8727 0.8727 0.9277 0.9277 1.9161 1.9161 2.0048 2.0048 2.1491 2.1491 2.7794 2.7794 2.9166 2.9166 4.1295 4.1295 4.9409 4.9409 5.1785 5.1785 10.4532 10.4532 13.6644 13.6644 16.9367 16.9367 17.6975 17.6975 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): -15.5042 -15.5042 -15.2987 -15.2987 -0.2293 -0.2293 0.8741 0.8741 0.9295 0.9295 1.9138 1.9138 2.0158 2.0158 2.1371 2.1371 2.7789 2.7789 2.9192 2.9192 4.1271 4.1271 4.9411 4.9411 5.1785 5.1785 10.4569 10.4569 13.6639 13.6639 16.9314 16.9314 17.6974 17.6974 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): -15.5042 -15.5042 -15.2987 -15.2987 -0.2293 -0.2293 0.8741 0.8741 0.9295 0.9295 1.9138 1.9138 2.0158 2.0158 2.1371 2.1371 2.7789 2.7789 2.9192 2.9192 4.1271 4.1271 4.9411 4.9411 5.1785 5.1785 10.4569 10.4569 13.6639 13.6639 16.9314 16.9314 17.6974 17.6974 k = 0.5000-0.2787 0.4153 ( 1724 PWs) bands (ev): -15.5040 -15.5040 -15.2988 -15.2988 -0.2285 -0.2285 0.8735 0.8735 0.9295 0.9295 1.9120 1.9120 2.0139 2.0139 2.1392 2.1392 2.7803 2.7803 2.9206 2.9206 4.1268 4.1268 4.9402 4.9402 5.1776 5.1776 10.4570 10.4570 13.6667 13.6667 16.9254 16.9254 17.7008 17.7008 k = 0.5000-0.2688 0.4223 ( 1724 PWs) bands (ev): -15.5036 -15.5036 -15.2993 -15.2993 -0.2261 -0.2261 0.8717 0.8717 0.9295 0.9295 1.9066 1.9066 2.0086 2.0086 2.1452 2.1452 2.7841 2.7841 2.9248 2.9248 4.1261 4.1261 4.9375 4.9375 5.1748 5.1748 10.4572 10.4572 13.6750 13.6750 16.9082 16.9082 17.7101 17.7101 k = 0.5000-0.2588 0.4294 ( 1720 PWs) bands (ev): -15.5028 -15.5028 -15.3001 -15.3001 -0.2222 -0.2222 0.8686 0.8686 0.9296 0.9296 1.8976 1.8976 2.0007 2.0007 2.1547 2.1547 2.7902 2.7902 2.9319 2.9319 4.1249 4.1249 4.9328 4.9328 5.1705 5.1705 10.4575 10.4575 13.6888 13.6888 16.8812 16.8812 17.7228 17.7228 k = 0.5000-0.2489 0.4364 ( 1716 PWs) bands (ev): -15.5018 -15.5018 -15.3011 -15.3011 -0.2166 -0.2166 0.8642 0.8642 0.9298 0.9298 1.8849 1.8849 1.9911 1.9911 2.1670 2.1670 2.7980 2.7980 2.9421 2.9421 4.1232 4.1232 4.9257 4.9257 5.1648 5.1648 10.4579 10.4579 13.7081 13.7081 16.8467 16.8467 17.7354 17.7354 k = 0.5000-0.2389 0.4434 ( 1712 PWs) bands (ev): -15.5005 -15.5005 -15.3025 -15.3025 -0.2095 -0.2095 0.8585 0.8585 0.9302 0.9302 1.8684 1.8684 1.9809 1.9809 2.1815 2.1815 2.8070 2.8070 2.9553 2.9553 4.1211 4.1211 4.9160 4.9160 5.1584 5.1584 10.4585 10.4585 13.7326 13.7326 16.8066 16.8066 17.7442 17.7442 k = 0.5000-0.2289 0.4505 ( 1708 PWs) bands (ev): -15.4989 -15.4989 -15.3042 -15.3042 -0.2008 -0.2008 0.8515 0.8515 0.9307 0.9307 1.8483 1.8483 1.9710 1.9710 2.1979 2.1979 2.8169 2.8169 2.9716 2.9716 4.1185 4.1185 4.9031 4.9031 5.1516 5.1516 10.4592 10.4592 13.7624 13.7624 16.7628 16.7628 17.7458 17.7458 k = 0.5000-0.2190 0.4575 ( 1708 PWs) bands (ev): -15.4971 -15.4971 -15.3061 -15.3061 -0.1905 -0.1905 0.8432 0.8432 0.9315 0.9315 1.8248 1.8248 1.9617 1.9617 2.2156 2.2156 2.8272 2.8272 2.9907 2.9907 4.1156 4.1156 4.8867 4.8867 5.1451 5.1451 10.4600 10.4600 13.7972 13.7972 16.7168 16.7168 17.7378 17.7378 k = 0.5000-0.2090 0.4646 ( 1708 PWs) bands (ev): -15.4949 -15.4949 -15.3084 -15.3084 -0.1788 -0.1788 0.8335 0.8335 0.9324 0.9324 1.7985 1.7985 1.9532 1.9532 2.2344 2.2344 2.8380 2.8380 3.0125 3.0125 4.1123 4.1123 4.8665 4.8665 5.1392 5.1392 10.4608 10.4608 13.8370 13.8370 16.6697 16.6697 17.7186 17.7186 k = 0.5000-0.1991 0.4716 ( 1704 PWs) bands (ev): -15.4925 -15.4925 -15.3109 -15.3109 -0.1655 -0.1655 0.8226 0.8226 0.9336 0.9336 1.7699 1.7699 1.9458 1.9458 2.2540 2.2540 2.8491 2.8491 3.0367 3.0367 4.1087 4.1087 4.8422 4.8422 5.1343 5.1343 10.4618 10.4618 13.8814 13.8814 16.6224 16.6224 17.6881 17.6881 k = 0.5000-0.1891 0.4786 ( 1704 PWs) bands (ev): -15.4899 -15.4899 -15.3137 -15.3137 -0.1508 -0.1508 0.8104 0.8104 0.9350 0.9350 1.7395 1.7395 1.9392 1.9392 2.2739 2.2739 2.8607 2.8607 3.0628 3.0628 4.1049 4.1049 4.8138 4.8138 5.1304 5.1304 10.4628 10.4628 13.9303 13.9303 16.5756 16.5756 17.6466 17.6466 k = 0.5000-0.1792 0.4857 ( 1708 PWs) bands (ev): -15.4870 -15.4870 -15.3168 -15.3168 -0.1347 -0.1347 0.7969 0.7969 0.9366 0.9366 1.7080 1.7080 1.9333 1.9333 2.2940 2.2940 2.8729 2.8729 3.0907 3.0907 4.1009 4.1009 4.7815 4.7815 5.1277 5.1277 10.4639 10.4639 13.9834 13.9834 16.5298 16.5298 17.5953 17.5953 k = 0.5000-0.1692 0.4927 ( 1708 PWs) bands (ev): -15.4838 -15.4838 -15.3201 -15.3201 -0.1172 -0.1172 0.7822 0.7822 0.9384 0.9384 1.6758 1.6758 1.9282 1.9282 2.3140 2.3140 2.8857 2.8857 3.1200 3.1200 4.0967 4.0967 4.7455 4.7455 5.1260 5.1260 10.4650 10.4650 14.0405 14.0405 16.4854 16.4854 17.5352 17.5352 k = 0.5000-0.1593 0.4998 ( 1702 PWs) bands (ev): -15.4804 -15.4804 -15.3237 -15.3237 -0.0983 -0.0983 0.7663 0.7663 0.9404 0.9404 1.6434 1.6434 1.9237 1.9237 2.3336 2.3336 2.8992 2.8992 3.1506 3.1506 4.0925 4.0925 4.7060 4.7060 5.1253 5.1253 10.4662 10.4662 14.1014 14.1014 16.4428 16.4428 17.4678 17.4678 k = 0.5000-0.1493 0.5068 ( 1702 PWs) bands (ev): -15.4768 -15.4768 -15.3275 -15.3275 -0.0781 -0.0781 0.7491 0.7491 0.9425 0.9425 1.6111 1.6111 1.9198 1.9198 2.3525 2.3525 2.9134 2.9134 3.1824 3.1824 4.0881 4.0881 4.6635 4.6635 5.1253 5.1253 10.4674 10.4674 14.1655 14.1655 16.4022 16.4022 17.3942 17.3942 k = 0.5000-0.1394 0.5138 ( 1702 PWs) bands (ev): -15.4729 -15.4729 -15.3315 -15.3315 -0.0567 -0.0567 0.7308 0.7308 0.9449 0.9449 1.5793 1.5793 1.9163 1.9163 2.3706 2.3706 2.9282 2.9282 3.2154 3.2154 4.0838 4.0838 4.6183 4.6183 5.1260 5.1260 10.4686 10.4686 14.2327 14.2327 16.3639 16.3639 17.3155 17.3155 k = 0.5000-0.1294 0.5209 ( 1700 PWs) bands (ev): -15.4689 -15.4689 -15.3357 -15.3357 -0.0341 -0.0341 0.7112 0.7112 0.9474 0.9474 1.5484 1.5484 1.9133 1.9133 2.3876 2.3876 2.9435 2.9435 3.2495 3.2495 4.0795 4.0795 4.5706 4.5706 5.1271 5.1271 10.4698 10.4698 14.3026 14.3026 16.3281 16.3281 17.2327 17.2327 k = 0.5000-0.1195 0.5279 ( 1708 PWs) bands (ev): -15.4647 -15.4647 -15.3401 -15.3401 -0.0103 -0.0103 0.6904 0.6904 0.9499 0.9499 1.5186 1.5186 1.9106 1.9106 2.4035 2.4035 2.9592 2.9592 3.2849 3.2849 4.0753 4.0753 4.5208 4.5208 5.1285 5.1285 10.4710 10.4710 14.3746 14.3746 16.2949 16.2949 17.1467 17.1467 k = 0.5000-0.1095 0.5349 ( 1708 PWs) bands (ev): -15.4603 -15.4603 -15.3447 -15.3447 0.0144 0.0144 0.6685 0.6685 0.9526 0.9526 1.4902 1.4902 1.9083 1.9083 2.4180 2.4180 2.9750 2.9750 3.3216 3.3216 4.0713 4.0713 4.4693 4.4693 5.1302 5.1302 10.4721 10.4721 14.4483 14.4483 16.2645 16.2645 17.0585 17.0585 k = 0.5000-0.0995 0.5420 ( 1712 PWs) bands (ev): -15.4557 -15.4557 -15.3495 -15.3495 0.0402 0.0402 0.6454 0.6454 0.9554 0.9554 1.4634 1.4634 1.9063 1.9063 2.4313 2.4313 2.9907 2.9907 3.3597 3.3597 4.0674 4.0674 4.4163 4.4163 5.1320 5.1320 10.4732 10.4732 14.5231 14.5231 16.2372 16.2372 16.9690 16.9690 k = 0.5000-0.0896 0.5490 ( 1714 PWs) bands (ev): -15.4510 -15.4510 -15.3544 -15.3544 0.0667 0.0667 0.6213 0.6213 0.9582 0.9582 1.4384 1.4384 1.9046 1.9046 2.4431 2.4431 3.0059 3.0059 3.3992 3.3992 4.0638 4.0638 4.3622 4.3622 5.1339 5.1339 10.4743 10.4743 14.5983 14.5983 16.2131 16.2131 16.8789 16.8789 k = 0.5000-0.0796 0.5561 ( 1710 PWs) bands (ev): -15.4461 -15.4461 -15.3594 -15.3594 0.0940 0.0940 0.5963 0.5963 0.9610 0.9610 1.4155 1.4155 1.9031 1.9031 2.4536 2.4536 3.0205 3.0205 3.4403 3.4403 4.0604 4.0604 4.3072 4.3072 5.1357 5.1357 10.4752 10.4752 14.6730 14.6730 16.1925 16.1925 16.7892 16.7892 k = 0.5000-0.0697 0.5631 ( 1710 PWs) bands (ev): -15.4411 -15.4411 -15.3645 -15.3645 0.1219 0.1219 0.5704 0.5704 0.9636 0.9636 1.3948 1.3948 1.9019 1.9019 2.4626 2.4626 3.0339 3.0339 3.4828 3.4828 4.0573 4.0573 4.2517 4.2517 5.1375 5.1375 10.4761 10.4761 14.7462 14.7462 16.1757 16.1757 16.7009 16.7009 k = 0.5000-0.0597 0.5701 ( 1708 PWs) bands (ev): -15.4359 -15.4359 -15.3698 -15.3698 0.1501 0.1501 0.5439 0.5439 0.9662 0.9662 1.3765 1.3765 1.9008 1.9008 2.4704 2.4704 3.0462 3.0462 3.5268 3.5268 4.0545 4.0545 4.1961 4.1961 5.1391 5.1391 10.4769 10.4769 14.8165 14.8165 16.1632 16.1632 16.6151 16.6151 k = 0.5000-0.0498 0.5772 ( 1718 PWs) bands (ev): -15.4307 -15.4307 -15.3751 -15.3751 0.1783 0.1783 0.5170 0.5170 0.9685 0.9685 1.3607 1.3607 1.9000 1.9000 2.4768 2.4768 3.0568 3.0568 3.5720 3.5720 4.0518 4.0518 4.1409 4.1409 5.1405 5.1405 10.4776 10.4776 14.8823 14.8823 16.1554 16.1554 16.5330 16.5330 k = 0.5000-0.0398 0.5842 ( 1718 PWs) bands (ev): -15.4255 -15.4255 -15.3804 -15.3804 0.2062 0.2062 0.4903 0.4903 0.9706 0.9706 1.3476 1.3476 1.8993 1.8993 2.4820 2.4820 3.0658 3.0658 3.6180 3.6180 4.0485 4.0485 4.0876 4.0876 5.1418 5.1418 10.4781 10.4781 14.9416 14.9416 16.1532 16.1532 16.4562 16.4562 k = 0.5000-0.0299 0.5913 ( 1722 PWs) bands (ev): -15.4202 -15.4202 -15.3858 -15.3858 0.2328 0.2328 0.4645 0.4645 0.9723 0.9723 1.3373 1.3373 1.8988 1.8988 2.4860 2.4860 3.0730 3.0730 3.6639 3.6639 4.0283 4.0283 4.0535 4.0535 5.1428 5.1428 10.4786 10.4786 14.9919 14.9919 16.1574 16.1574 16.3863 16.3863 k = 0.5000-0.0199 0.5983 ( 1718 PWs) bands (ev): -15.4150 -15.4150 -15.3910 -15.3910 0.2568 0.2568 0.4411 0.4411 0.9735 0.9735 1.3298 1.3298 1.8984 1.8984 2.4889 2.4889 3.0782 3.0782 3.7078 3.7078 3.9822 3.9822 4.0496 4.0496 5.1435 5.1435 10.4789 10.4789 15.0306 15.0306 16.1688 16.1688 16.3251 16.3251 k = 0.5000-0.0100 0.6053 ( 1708 PWs) bands (ev): -15.4102 -15.4102 -15.3959 -15.3959 0.2749 0.2749 0.4234 0.4234 0.9743 0.9743 1.3253 1.3253 1.8983 1.8983 2.4906 2.4906 3.0813 3.0813 3.7443 3.7443 3.9431 3.9431 4.0485 4.0485 5.1439 5.1439 10.4791 10.4791 15.0550 15.0550 16.1872 16.1872 16.2754 16.2754 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -15.4075 -15.4075 -15.3985 -15.3985 0.2821 0.2821 0.4164 0.4164 0.9746 0.9746 1.3238 1.3238 1.8982 1.8982 2.4911 2.4911 3.0824 3.0824 3.7604 3.7604 3.9262 3.9262 4.0481 4.0481 5.1441 5.1441 10.4792 10.4792 15.0634 15.0634 16.2022 16.2022 16.2498 16.2498 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -15.4075 -15.4075 -15.3985 -15.3985 0.2821 0.2821 0.4164 0.4164 0.9746 0.9746 1.3238 1.3238 1.8982 1.8982 2.4911 2.4911 3.0824 3.0824 3.7604 3.7604 3.9262 3.9262 4.0481 4.0481 5.1441 5.1441 10.4792 10.4792 15.0634 15.0634 16.2022 16.2022 16.2498 16.2498 k = 0.4940 0.0103 0.6124 ( 1708 PWs) bands (ev): -15.4089 -15.4089 -15.3972 -15.3972 0.2780 0.2780 0.4207 0.4207 0.9746 0.9746 1.3240 1.3240 1.8987 1.8987 2.4910 2.4910 3.0818 3.0818 3.7515 3.7515 3.9297 3.9297 4.0540 4.0540 5.1439 5.1439 10.4786 10.4786 15.0582 15.0582 16.1664 16.1664 16.2940 16.2940 k = 0.4881 0.0206 0.6124 ( 1715 PWs) bands (ev): -15.4116 -15.4116 -15.3945 -15.3945 0.2669 0.2669 0.4322 0.4322 0.9747 0.9747 1.3247 1.3247 1.9000 1.9000 2.4905 2.4905 3.0799 3.0799 3.7307 3.7307 3.9329 3.9329 4.0731 4.0731 5.1436 5.1436 10.4769 10.4769 15.0436 15.0436 16.1168 16.1168 16.3675 16.3675 k = 0.4821 0.0309 0.6124 ( 1719 PWs) bands (ev): -15.4147 -15.4147 -15.3916 -15.3916 0.2515 0.2515 0.4485 0.4485 0.9746 0.9746 1.3263 1.3263 1.9018 1.9018 2.4898 2.4898 3.0767 3.0767 3.7046 3.7046 3.9310 3.9310 4.1037 4.1037 5.1429 5.1429 10.4744 10.4744 15.0217 15.0217 16.0688 16.0688 16.4531 16.4531 k = 0.4762 0.0412 0.6124 ( 1719 PWs) bands (ev): -15.4177 -15.4177 -15.3887 -15.3887 0.2339 0.2339 0.4674 0.4674 0.9743 0.9743 1.3288 1.3288 1.9041 1.9041 2.4889 2.4889 3.0718 3.0718 3.6770 3.6770 3.9251 3.9251 4.1411 4.1411 5.1420 5.1420 10.4711 10.4711 14.9943 14.9943 16.0234 16.0234 16.5476 16.5476 k = 0.4702 0.0515 0.6124 ( 1713 PWs) bands (ev): -15.4206 -15.4206 -15.3859 -15.3859 0.2152 0.2152 0.4877 0.4877 0.9738 0.9738 1.3325 1.3325 1.9064 1.9064 2.4879 2.4879 3.0651 3.0651 3.6497 3.6497 3.9172 3.9172 4.1817 4.1817 5.1408 5.1408 10.4672 10.4672 14.9631 14.9631 15.9809 15.9809 16.6491 16.6491 k = 0.4643 0.0619 0.6124 ( 1711 PWs) bands (ev): -15.4234 -15.4234 -15.3833 -15.3833 0.1963 0.1963 0.5085 0.5085 0.9730 0.9730 1.3377 1.3377 1.9086 1.9086 2.4868 2.4868 3.0566 3.0566 3.6237 3.6237 3.9085 3.9085 4.2234 4.2234 5.1393 5.1393 10.4628 10.4628 14.9294 14.9294 15.9415 15.9415 16.7562 16.7562 k = 0.4583 0.0722 0.6124 ( 1709 PWs) bands (ev): -15.4260 -15.4260 -15.3809 -15.3809 0.1776 0.1776 0.5291 0.5291 0.9719 0.9719 1.3442 1.3442 1.9105 1.9105 2.4858 2.4858 3.0461 3.0461 3.5995 3.5995 3.8995 3.8995 4.2649 4.2649 5.1375 5.1375 10.4581 10.4581 14.8944 14.8944 15.9050 15.9050 16.8677 16.8677 k = 0.4524 0.0825 0.6124 ( 1721 PWs) bands (ev): -15.4284 -15.4284 -15.3787 -15.3787 0.1595 0.1595 0.5493 0.5493 0.9704 0.9704 1.3523 1.3523 1.9118 1.9118 2.4848 2.4848 3.0338 3.0338 3.5777 3.5777 3.8907 3.8907 4.3056 4.3056 5.1353 5.1353 10.4532 10.4532 14.8589 14.8589 15.8714 15.8714 16.9825 16.9825 k = 0.4464 0.0928 0.6124 ( 1715 PWs) bands (ev): -15.4307 -15.4307 -15.3766 -15.3766 0.1423 0.1423 0.5687 0.5687 0.9688 0.9688 1.3618 1.3618 1.9126 1.9126 2.4840 2.4840 3.0197 3.0197 3.5582 3.5582 3.8822 3.8822 4.3449 4.3449 5.1329 5.1329 10.4482 10.4482 14.8237 14.8237 15.8407 15.8407 17.0998 17.0998 k = 0.4405 0.1031 0.6124 ( 1712 PWs) bands (ev): -15.4328 -15.4328 -15.3748 -15.3748 0.1260 0.1260 0.5871 0.5871 0.9670 0.9670 1.3728 1.3728 1.9125 1.9125 2.4835 2.4835 3.0042 3.0042 3.5413 3.5413 3.8742 3.8742 4.3825 4.3825 5.1302 5.1302 10.4432 10.4432 14.7895 14.7895 15.8128 15.8128 17.2189 17.2189 k = 0.4345 0.1134 0.6124 ( 1710 PWs) bands (ev): -15.4347 -15.4347 -15.3731 -15.3731 0.1109 0.1109 0.6042 0.6042 0.9651 0.9651 1.3849 1.3849 1.9117 1.9117 2.4833 2.4833 2.9875 2.9875 3.5268 3.5268 3.8667 3.8667 4.4181 4.4181 5.1272 5.1272 10.4383 10.4383 14.7568 14.7568 15.7876 15.7876 17.3389 17.3389 k = 0.4286 0.1237 0.6124 ( 1712 PWs) bands (ev): -15.4364 -15.4364 -15.3715 -15.3715 0.0969 0.0969 0.6199 0.6199 0.9632 0.9632 1.3980 1.3980 1.9099 1.9099 2.4833 2.4833 2.9701 2.9701 3.5146 3.5146 3.8598 3.8598 4.4514 4.4514 5.1240 5.1240 10.4336 10.4336 14.7260 14.7260 15.7650 15.7650 17.4592 17.4592 k = 0.4226 0.1340 0.6124 ( 1713 PWs) bands (ev): -15.4380 -15.4380 -15.3702 -15.3702 0.0842 0.0842 0.6341 0.6341 0.9612 0.9612 1.4117 1.4117 1.9073 1.9073 2.4837 2.4837 2.9526 2.9526 3.5044 3.5044 3.8535 3.8535 4.4821 4.4821 5.1207 5.1207 10.4292 10.4292 14.6975 14.6975 15.7450 15.7450 17.5788 17.5788 k = 0.4167 0.1443 0.6124 ( 1713 PWs) bands (ev): -15.4394 -15.4394 -15.3690 -15.3690 0.0729 0.0729 0.6466 0.6466 0.9594 0.9594 1.4258 1.4258 1.9039 1.9039 2.4844 2.4844 2.9354 2.9354 3.4962 3.4962 3.8479 3.8479 4.5100 4.5100 5.1174 5.1174 10.4252 10.4252 14.6717 14.6717 15.7276 15.7276 17.6969 17.6969 k = 0.4107 0.1546 0.6124 ( 1713 PWs) bands (ev): -15.4405 -15.4405 -15.3680 -15.3680 0.0630 0.0630 0.6576 0.6576 0.9577 0.9577 1.4396 1.4396 1.8999 1.8999 2.4853 2.4853 2.9190 2.9190 3.4895 3.4895 3.8431 3.8431 4.5348 4.5348 5.1141 5.1141 10.4215 10.4215 14.6488 14.6488 15.7126 15.7126 17.8120 17.8120 k = 0.4048 0.1650 0.6124 ( 1715 PWs) bands (ev): -15.4416 -15.4416 -15.3671 -15.3671 0.0545 0.0545 0.6668 0.6668 0.9563 0.9563 1.4528 1.4528 1.8956 1.8956 2.4864 2.4864 2.9041 2.9041 3.4843 3.4843 3.8389 3.8389 4.5563 4.5563 5.1110 5.1110 10.4184 10.4184 14.6290 14.6290 15.7000 15.7000 17.9224 17.9224 k = 0.3988 0.1753 0.6124 ( 1718 PWs) bands (ev): -15.4424 -15.4424 -15.3664 -15.3664 0.0475 0.0475 0.6743 0.6743 0.9550 0.9550 1.4647 1.4647 1.8913 1.8913 2.4876 2.4876 2.8911 2.8911 3.4803 3.4803 3.8355 3.8355 4.5744 4.5744 5.1081 5.1081 10.4157 10.4157 14.6126 14.6126 15.6897 15.6897 18.0255 18.0255 k = 0.3929 0.1856 0.6124 ( 1714 PWs) bands (ev): -15.4430 -15.4430 -15.3658 -15.3658 0.0421 0.0421 0.6802 0.6802 0.9540 0.9540 1.4747 1.4747 1.8874 1.8874 2.4887 2.4887 2.8804 2.8804 3.4773 3.4773 3.8328 3.8328 4.5887 4.5887 5.1058 5.1058 10.4136 10.4136 14.5997 14.5997 15.6818 15.6818 18.1173 18.1173 k = 0.3869 0.1959 0.6124 ( 1718 PWs) bands (ev): -15.4435 -15.4435 -15.3655 -15.3655 0.0382 0.0382 0.6843 0.6843 0.9533 0.9533 1.4824 1.4824 1.8842 1.8842 2.4896 2.4896 2.8725 2.8725 3.4753 3.4753 3.8309 3.8309 4.5990 4.5990 5.1039 5.1039 10.4121 10.4121 14.5903 14.5903 15.6762 15.6762 18.1922 18.1922 k = 0.3810 0.2062 0.6124 ( 1712 PWs) bands (ev): -15.4438 -15.4438 -15.3652 -15.3652 0.0359 0.0359 0.6868 0.6868 0.9529 0.9529 1.4872 1.4872 1.8822 1.8822 2.4902 2.4902 2.8676 2.8676 3.4741 3.4741 3.8297 3.8297 4.6053 4.6053 5.1028 5.1028 10.4111 10.4111 14.5847 14.5847 15.6728 15.6728 18.2424 18.2424 k = 0.3750 0.2165 0.6124 ( 1710 PWs) bands (ev): -15.4438 -15.4438 -15.3651 -15.3651 0.0351 0.0351 0.6877 0.6877 0.9528 0.9528 1.4889 1.4889 1.8815 1.8815 2.4904 2.4904 2.8660 2.8660 3.4737 3.4737 3.8294 3.8294 4.6074 4.6074 5.1024 5.1024 10.4108 10.4108 14.5828 14.5828 15.6717 15.6717 18.2603 18.2603 k = 0.3750 0.2165 0.6124 ( 1710 PWs) bands (ev): -15.4438 -15.4438 -15.3651 -15.3651 0.0351 0.0351 0.6877 0.6877 0.9528 0.9528 1.4889 1.4889 1.8815 1.8815 2.4904 2.4904 2.8660 2.8660 3.4737 3.4737 3.8294 3.8294 4.6074 4.6074 5.1024 5.1024 10.4108 10.4108 14.5828 14.5828 15.6717 15.6717 18.2603 18.2603 k = 0.3689 0.2130 0.6023 ( 1714 PWs) bands (ev): -15.4379 -15.4379 -15.3719 -15.3719 0.0514 0.0514 0.6828 0.6828 0.9518 0.9518 1.4661 1.4661 1.8815 1.8815 2.5069 2.5069 2.8760 2.8760 3.5093 3.5093 3.7847 3.7847 4.5960 4.5960 5.1039 5.1039 10.3983 10.3983 14.6406 14.6406 15.6130 15.6130 18.2906 18.2906 k = 0.3627 0.2094 0.5923 ( 1716 PWs) bands (ev): -15.4317 -15.4317 -15.3790 -15.3790 0.0660 0.0660 0.6805 0.6805 0.9502 0.9502 1.4444 1.4444 1.8820 1.8820 2.5221 2.5221 2.8877 2.8877 3.5426 3.5426 3.7390 3.7390 4.5869 4.5869 5.1058 5.1058 10.3836 10.3836 14.6901 14.6901 15.5654 15.5654 18.3202 18.3202 k = 0.3566 0.2059 0.5823 ( 1712 PWs) bands (ev): -15.4253 -15.4253 -15.3863 -15.3863 0.0786 0.0786 0.6810 0.6810 0.9480 0.9480 1.4239 1.4239 1.8829 1.8829 2.5360 2.5360 2.9010 2.9010 3.5701 3.5701 3.6964 3.6964 4.5801 4.5801 5.1081 5.1081 10.3667 10.3667 14.7278 14.7278 15.5325 15.5325 18.3490 18.3490 k = 0.3504 0.2023 0.5722 ( 1704 PWs) bands (ev): -15.4189 -15.4189 -15.3938 -15.3938 0.0888 0.0888 0.6843 0.6843 0.9454 0.9454 1.4047 1.4047 1.8841 1.8841 2.5485 2.5485 2.9160 2.9160 3.5766 3.5766 3.6726 3.6726 4.5752 4.5752 5.1108 5.1108 10.3474 10.3474 14.7501 14.7501 15.5179 15.5179 18.3769 18.3769 k = 0.3443 0.1988 0.5622 ( 1700 PWs) bands (ev): -15.4128 -15.4128 -15.4009 -15.4009 0.0966 0.0966 0.6903 0.6903 0.9425 0.9425 1.3868 1.3868 1.8853 1.8853 2.5596 2.5596 2.9326 2.9326 3.5463 3.5463 3.6840 3.6840 4.5721 4.5721 5.1138 5.1138 10.3254 10.3254 14.7553 14.7553 15.5234 15.5234 18.4037 18.4037 k = 0.3381 0.1952 0.5521 ( 1700 PWs) bands (ev): -15.4129 -15.4129 -15.4020 -15.4020 0.1018 0.1018 0.6988 0.6988 0.9396 0.9396 1.3704 1.3704 1.8864 1.8864 2.5693 2.5693 2.9506 2.9506 3.4987 3.4987 3.7118 3.7118 4.5706 4.5706 5.1172 5.1172 10.3006 10.3006 14.7441 14.7441 15.5483 15.5483 18.4293 18.4293 k = 0.3320 0.1917 0.5421 ( 1700 PWs) bands (ev): -15.4205 -15.4205 -15.3958 -15.3958 0.1045 0.1045 0.7090 0.7090 0.9370 0.9370 1.3556 1.3556 1.8874 1.8874 2.5777 2.5777 2.9698 2.9698 3.4466 3.4466 3.7438 3.7438 4.5704 4.5704 5.1209 5.1209 10.2728 10.2728 14.7196 14.7196 15.5894 15.5894 18.4537 18.4537 k = 0.3258 0.1881 0.5321 ( 1700 PWs) bands (ev): -15.4292 -15.4292 -15.3884 -15.3884 0.1048 0.1048 0.7201 0.7201 0.9356 0.9356 1.3426 1.3426 1.8880 1.8880 2.5847 2.5847 2.9900 2.9900 3.3939 3.3939 3.7771 3.7771 4.5714 4.5714 5.1250 5.1250 10.2419 10.2419 14.6859 14.6859 15.6428 15.6428 18.4766 18.4766 k = 0.3197 0.1846 0.5220 ( 1704 PWs) bands (ev): -15.4384 -15.4384 -15.3806 -15.3806 0.1030 0.1030 0.7305 0.7305 0.9361 0.9361 1.3314 1.3314 1.8881 1.8881 2.5901 2.5901 3.0108 3.0108 3.3424 3.3424 3.8107 3.8107 4.5734 4.5734 5.1294 5.1294 10.2077 10.2077 14.6468 14.6468 15.7048 15.7048 18.4979 18.4979 k = 0.3135 0.1810 0.5120 ( 1704 PWs) bands (ev): -15.4480 -15.4480 -15.3725 -15.3725 0.0993 0.0993 0.7387 0.7387 0.9398 0.9398 1.3223 1.3223 1.8876 1.8876 2.5936 2.5936 3.0317 3.0317 3.2935 3.2935 3.8445 3.8445 4.5764 4.5764 5.1340 5.1340 10.1702 10.1702 14.6050 14.6050 15.7723 15.7723 18.5175 18.5175 k = 0.3074 0.1775 0.5019 ( 1716 PWs) bands (ev): -15.4579 -15.4579 -15.3643 -15.3643 0.0939 0.0939 0.7432 0.7432 0.9475 0.9475 1.3155 1.3155 1.8862 1.8862 2.5950 2.5950 3.0519 3.0519 3.2492 3.2492 3.8782 3.8782 4.5801 4.5801 5.1390 5.1390 10.1291 10.1291 14.5627 14.5627 15.8432 15.8432 18.5353 18.5353 k = 0.3012 0.1739 0.4919 ( 1708 PWs) bands (ev): -15.4680 -15.4680 -15.3557 -15.3557 0.0872 0.0872 0.7430 0.7430 0.9596 0.9596 1.3113 1.3113 1.8840 1.8840 2.5935 2.5935 3.0694 3.0694 3.2123 3.2123 3.9118 3.9118 4.5846 4.5846 5.1443 5.1443 10.0844 10.0844 14.5215 14.5215 15.9161 15.9161 18.5509 18.5509 k = 0.2951 0.1704 0.4819 ( 1712 PWs) bands (ev): -15.4784 -15.4784 -15.3471 -15.3471 0.0794 0.0794 0.7379 0.7379 0.9755 0.9755 1.3100 1.3100 1.8807 1.8807 2.5887 2.5887 3.0802 3.0802 3.1880 3.1880 3.9453 3.9453 4.5898 4.5898 5.1498 5.1498 10.0361 10.0361 14.4823 14.4823 15.9895 15.9895 18.5644 18.5644 k = 0.2889 0.1668 0.4718 ( 1712 PWs) bands (ev): -15.4891 -15.4891 -15.3382 -15.3382 0.0707 0.0707 0.7283 0.7283 0.9940 0.9940 1.3121 1.3121 1.8764 1.8764 2.5797 2.5797 3.0791 3.0791 3.1822 3.1822 3.9788 3.9788 4.5955 4.5955 5.1556 5.1556 9.9840 9.9840 14.4460 14.4460 16.0628 16.0628 18.5755 18.5755 k = 0.2828 0.1633 0.4618 ( 1712 PWs) bands (ev): -15.5000 -15.5000 -15.3292 -15.3292 0.0613 0.0613 0.7151 0.7151 1.0133 1.0133 1.3181 1.3181 1.8709 1.8709 2.5663 2.5663 3.0693 3.0693 3.1926 3.1926 4.0122 4.0122 4.6018 4.6018 5.1617 5.1617 9.9283 9.9283 14.4131 14.4131 16.1351 16.1351 18.5840 18.5840 k = 0.2766 0.1597 0.4518 ( 1712 PWs) bands (ev): -15.5111 -15.5111 -15.3200 -15.3200 0.0514 0.0514 0.6989 0.6989 1.0320 1.0320 1.3288 1.3288 1.8643 1.8643 2.5484 2.5484 3.0591 3.0591 3.2112 3.2112 4.0456 4.0456 4.6086 4.6086 5.1681 5.1681 9.8688 9.8688 14.3840 14.3840 16.2059 16.2059 18.5900 18.5900 k = 0.2705 0.1562 0.4417 ( 1718 PWs) bands (ev): -15.5224 -15.5224 -15.3106 -15.3106 0.0411 0.0411 0.6802 0.6802 1.0484 1.0484 1.3444 1.3444 1.8566 1.8566 2.5263 2.5263 3.0529 3.0529 3.2333 3.2333 4.0790 4.0790 4.6159 4.6159 5.1746 5.1746 9.8057 9.8057 14.3592 14.3592 16.2746 16.2746 18.5931 18.5931 k = 0.2643 0.1526 0.4317 ( 1718 PWs) bands (ev): -15.5340 -15.5340 -15.3011 -15.3011 0.0305 0.0305 0.6595 0.6595 1.0618 1.0618 1.3654 1.3654 1.8478 1.8478 2.5010 2.5010 3.0521 3.0521 3.2569 3.2569 4.1125 4.1125 4.6237 4.6237 5.1815 5.1815 9.7389 9.7389 14.3387 14.3387 16.3409 16.3409 18.5934 18.5934 k = 0.2582 0.1491 0.4216 ( 1718 PWs) bands (ev): -15.5457 -15.5457 -15.2915 -15.2915 0.0196 0.0196 0.6372 0.6372 1.0715 1.0715 1.3914 1.3914 1.8380 1.8380 2.4736 2.4736 3.0566 3.0566 3.2813 3.2813 4.1460 4.1460 4.6319 4.6319 5.1886 5.1886 9.6686 9.6686 14.3227 14.3227 16.4043 16.4043 18.5908 18.5908 k = 0.2520 0.1455 0.4116 ( 1718 PWs) bands (ev): -15.5575 -15.5575 -15.2818 -15.2818 0.0086 0.0086 0.6134 0.6134 1.0775 1.0775 1.4221 1.4221 1.8274 1.8274 2.4452 2.4452 3.0657 3.0657 3.3059 3.3059 4.1796 4.1796 4.6406 4.6406 5.1959 5.1959 9.5949 9.5949 14.3114 14.3114 16.4646 16.4646 18.5853 18.5853 k = 0.2459 0.1420 0.4016 ( 1718 PWs) bands (ev): -15.5695 -15.5695 -15.2720 -15.2720 -0.0025 -0.0025 0.5883 0.5883 1.0799 1.0799 1.4566 1.4566 1.8164 1.8164 2.4168 2.4168 3.0786 3.0786 3.3305 3.3305 4.2133 4.2133 4.6497 4.6497 5.2035 5.2035 9.5179 9.5179 14.3047 14.3047 16.5213 16.5213 18.5768 18.5768 k = 0.2398 0.1384 0.3915 ( 1708 PWs) bands (ev): -15.5816 -15.5816 -15.2621 -15.2621 -0.0138 -0.0138 0.5622 0.5622 1.0789 1.0789 1.4943 1.4943 1.8050 1.8050 2.3895 2.3895 3.0947 3.0947 3.3551 3.3551 4.2472 4.2472 4.6593 4.6593 5.2113 5.2113 9.4377 9.4377 14.3028 14.3028 16.5743 16.5743 18.5655 18.5655 k = 0.2336 0.1349 0.3815 ( 1708 PWs) bands (ev): -15.5938 -15.5938 -15.2522 -15.2522 -0.0251 -0.0251 0.5352 0.5352 1.0748 1.0748 1.5342 1.5342 1.7938 1.7938 2.3640 2.3640 3.1134 3.1134 3.3793 3.3793 4.2812 4.2812 4.6694 4.6694 5.2193 5.2193 9.3545 9.3545 14.3055 14.3055 16.6234 16.6234 18.5513 18.5513 k = 0.2275 0.1313 0.3714 ( 1720 PWs) bands (ev): -15.6061 -15.6061 -15.2422 -15.2422 -0.0365 -0.0365 0.5073 0.5073 1.0676 1.0676 1.5756 1.5756 1.7832 1.7832 2.3408 2.3408 3.1340 3.1340 3.4031 3.4031 4.3153 4.3153 4.6800 4.6800 5.2275 5.2275 9.2685 9.2685 14.3129 14.3129 16.6683 16.6683 18.5344 18.5344 k = 0.2213 0.1278 0.3614 ( 1720 PWs) bands (ev): -15.6184 -15.6184 -15.2321 -15.2321 -0.0479 -0.0479 0.4787 0.4787 1.0575 1.0575 1.6179 1.6179 1.7737 1.7737 2.3204 2.3204 3.1562 3.1562 3.4265 3.4265 4.3495 4.3495 4.6912 4.6912 5.2360 5.2360 9.1797 9.1797 14.3249 14.3249 16.7090 16.7090 18.5151 18.5151 k = 0.2152 0.1242 0.3514 ( 1720 PWs) bands (ev): -15.6307 -15.6307 -15.2221 -15.2221 -0.0593 -0.0593 0.4494 0.4494 1.0446 1.0446 1.6598 1.6598 1.7662 1.7662 2.3032 2.3032 3.1796 3.1796 3.4493 3.4493 4.3839 4.3839 4.7028 4.7028 5.2447 5.2447 9.0885 9.0885 14.3413 14.3413 16.7453 16.7453 18.4933 18.4933 k = 0.2090 0.1207 0.3413 ( 1712 PWs) bands (ev): -15.6431 -15.6431 -15.2120 -15.2120 -0.0707 -0.0707 0.4196 0.4196 1.0290 1.0290 1.6991 1.6991 1.7630 1.7630 2.2898 2.2898 3.2038 3.2038 3.4714 3.4714 4.4183 4.4183 4.7151 4.7151 5.2537 5.2537 8.9950 8.9950 14.3622 14.3622 16.7773 16.7773 18.4694 18.4694 k = 0.2029 0.1171 0.3313 ( 1712 PWs) bands (ev): -15.6555 -15.6555 -15.2020 -15.2020 -0.0822 -0.0822 0.3893 0.3893 1.0107 1.0107 1.7266 1.7266 1.7724 1.7724 2.2804 2.2804 3.2286 3.2286 3.4929 3.4929 4.4528 4.4528 4.7279 4.7279 5.2629 5.2629 8.8994 8.8994 14.3874 14.3874 16.8049 16.8049 18.4435 18.4435 k = 0.1967 0.1136 0.3212 ( 1710 PWs) bands (ev): -15.6678 -15.6678 -15.1920 -15.1920 -0.0937 -0.0937 0.3586 0.3586 0.9900 0.9900 1.7345 1.7345 1.8019 1.8019 2.2756 2.2756 3.2538 3.2538 3.5135 3.5135 4.4872 4.4872 4.7414 4.7414 5.2724 5.2724 8.8018 8.8018 14.4167 14.4167 16.8283 16.8283 18.4159 18.4159 k = 0.1906 0.1100 0.3112 ( 1710 PWs) bands (ev): -15.6800 -15.6800 -15.1820 -15.1820 -0.1051 -0.1051 0.3276 0.3276 0.9671 0.9671 1.7360 1.7360 1.8375 1.8375 2.2763 2.2763 3.2791 3.2791 3.5334 3.5334 4.5215 4.5215 4.7555 4.7555 5.2822 5.2822 8.7025 8.7025 14.4501 14.4501 16.8475 16.8475 18.3868 18.3868 k = 0.1844 0.1065 0.3012 ( 1720 PWs) bands (ev): -15.6922 -15.6922 -15.1721 -15.1721 -0.1166 -0.1166 0.2963 0.2963 0.9424 0.9424 1.7374 1.7374 1.8716 1.8716 2.2832 2.2832 3.3044 3.3044 3.5523 3.5523 4.5557 4.5557 4.7702 4.7702 5.2922 5.2922 8.6016 8.6016 14.4872 14.4872 16.8628 16.8628 18.3564 18.3564 k = 0.1783 0.1029 0.2911 ( 1720 PWs) bands (ev): -15.7043 -15.7043 -15.1623 -15.1623 -0.1280 -0.1280 0.2648 0.2648 0.9160 0.9160 1.7401 1.7401 1.9020 1.9020 2.2971 2.2971 3.3294 3.3294 3.5703 3.5703 4.5896 4.5896 4.7855 4.7855 5.3025 5.3025 8.4994 8.4994 14.5281 14.5281 16.8745 16.8745 18.3248 18.3248 k = 0.1721 0.0994 0.2811 ( 1716 PWs) bands (ev): -15.7162 -15.7162 -15.1526 -15.1526 -0.1393 -0.1393 0.2332 0.2332 0.8884 0.8884 1.7444 1.7444 1.9276 1.9276 2.3186 2.3186 3.3540 3.3540 3.5874 3.5874 4.6231 4.6231 4.8015 4.8015 5.3132 5.3132 8.3960 8.3960 14.5723 14.5723 16.8829 16.8829 18.2923 18.2923 k = 0.1660 0.0958 0.2711 ( 1714 PWs) bands (ev): -15.7280 -15.7280 -15.1430 -15.1430 -0.1506 -0.1506 0.2016 0.2016 0.8599 0.8599 1.7501 1.7501 1.9479 1.9479 2.3478 2.3478 3.3782 3.3782 3.6036 3.6036 4.6561 4.6561 4.8181 4.8181 5.3242 5.3242 8.2916 8.2916 14.6198 14.6198 16.8884 16.8884 18.2590 18.2590 k = 0.1598 0.0923 0.2610 ( 1721 PWs) bands (ev): -15.7396 -15.7396 -15.1335 -15.1335 -0.1619 -0.1619 0.1700 0.1700 0.8308 0.8308 1.7573 1.7573 1.9633 1.9633 2.3840 2.3840 3.4017 3.4017 3.6187 3.6187 4.6886 4.6886 4.8353 4.8353 5.3355 5.3355 8.1865 8.1865 14.6702 14.6702 16.8915 16.8915 18.2252 18.2252 k = 0.1537 0.0887 0.2510 ( 1725 PWs) bands (ev): -15.7510 -15.7510 -15.1242 -15.1242 -0.1730 -0.1730 0.1386 0.1386 0.8014 0.8014 1.7657 1.7657 1.9745 1.9745 2.4265 2.4265 3.4245 3.4245 3.6329 3.6329 4.7203 4.7203 4.8530 4.8530 5.3472 5.3472 8.0807 8.0807 14.7232 14.7232 16.8928 16.8928 18.1908 18.1908 k = 0.1475 0.0852 0.2409 ( 1723 PWs) bands (ev): -15.7622 -15.7622 -15.1151 -15.1151 -0.1840 -0.1840 0.1075 0.1075 0.7719 0.7719 1.7752 1.7752 1.9824 1.9824 2.4742 2.4742 3.4465 3.4465 3.6461 3.6461 4.7513 4.7513 4.8712 4.8712 5.3593 5.3593 7.9746 7.9746 14.7785 14.7785 16.8928 16.8928 18.1561 18.1561 k = 0.1414 0.0816 0.2309 ( 1723 PWs) bands (ev): -15.7731 -15.7731 -15.1062 -15.1062 -0.1949 -0.1949 0.0766 0.0766 0.7426 0.7426 1.7857 1.7857 1.9878 1.9878 2.5261 2.5261 3.4676 3.4676 3.6583 3.6583 4.7814 4.7814 4.8897 4.8897 5.3718 5.3718 7.8683 7.8683 14.8357 14.8357 16.8923 16.8923 18.1212 18.1212 k = 0.1352 0.0781 0.2209 ( 1731 PWs) bands (ev): -15.7837 -15.7837 -15.0975 -15.0975 -0.2055 -0.2055 0.0462 0.0462 0.7137 0.7137 1.7968 1.7968 1.9914 1.9914 2.5813 2.5813 3.4878 3.4878 3.6696 3.6696 4.8105 4.8105 4.9085 4.9085 5.3847 5.3847 7.7619 7.7619 14.8943 14.8943 16.8918 16.8918 18.0862 18.0862 k = 0.1291 0.0745 0.2108 ( 1727 PWs) bands (ev): -15.7941 -15.7941 -15.0890 -15.0890 -0.2160 -0.2160 0.0163 0.0163 0.6855 0.6855 1.8086 1.8086 1.9937 1.9937 2.6392 2.6392 3.5070 3.5070 3.6800 3.6800 4.8386 4.8386 4.9274 4.9274 5.3980 5.3980 7.6558 7.6558 14.9537 14.9537 16.8921 16.8921 18.0512 18.0512 k = 0.1230 0.0710 0.2008 ( 1727 PWs) bands (ev): -15.8041 -15.8041 -15.0808 -15.0808 -0.2263 -0.2263 -0.0130 -0.0130 0.6579 0.6579 1.8209 1.8209 1.9952 1.9952 2.6992 2.6992 3.5251 3.5251 3.6894 3.6894 4.8656 4.8656 4.9463 4.9463 5.4116 5.4116 7.5501 7.5501 15.0135 15.0135 16.8941 16.8941 18.0164 18.0164 k = 0.1168 0.0674 0.1907 ( 1735 PWs) bands (ev): -15.8138 -15.8138 -15.0729 -15.0729 -0.2362 -0.2362 -0.0416 -0.0416 0.6312 0.6312 1.8334 1.8334 1.9960 1.9960 2.7609 2.7609 3.5422 3.5422 3.6980 3.6980 4.8915 4.8915 4.9649 4.9649 5.4256 5.4256 7.4452 7.4452 15.0729 15.0729 16.8986 16.8986 17.9819 17.9819 k = 0.1107 0.0639 0.1807 ( 1739 PWs) bands (ev): -15.8232 -15.8232 -15.0652 -15.0652 -0.2459 -0.2459 -0.0693 -0.0693 0.6055 0.6055 1.8461 1.8461 1.9964 1.9964 2.8239 2.8239 3.5583 3.5583 3.7058 3.7058 4.9164 4.9164 4.9831 4.9831 5.4399 5.4399 7.3411 7.3411 15.1312 15.1312 16.9063 16.9063 17.9478 17.9478 k = 0.1045 0.0603 0.1707 ( 1735 PWs) bands (ev): -15.8321 -15.8321 -15.0578 -15.0578 -0.2553 -0.2553 -0.0962 -0.0962 0.5809 0.5809 1.8589 1.8589 1.9966 1.9966 2.8880 2.8880 3.5733 3.5733 3.7128 3.7128 4.9402 4.9402 5.0007 5.0007 5.4544 5.4544 7.2382 7.2382 15.1879 15.1879 16.9180 16.9180 17.9144 17.9144 k = 0.0984 0.0568 0.1606 ( 1735 PWs) bands (ev): -15.8406 -15.8406 -15.0508 -15.0508 -0.2643 -0.2643 -0.1220 -0.1220 0.5574 0.5574 1.8716 1.8716 1.9965 1.9965 2.9526 2.9526 3.5873 3.5873 3.7191 3.7191 4.9629 4.9629 5.0175 5.0175 5.4690 5.4690 7.1368 7.1368 15.2420 15.2420 16.9346 16.9346 17.8817 17.8817 k = 0.0922 0.0532 0.1506 ( 1735 PWs) bands (ev): -15.8488 -15.8488 -15.0441 -15.0441 -0.2729 -0.2729 -0.1468 -0.1468 0.5351 0.5351 1.8841 1.8841 1.9963 1.9963 3.0175 3.0175 3.6003 3.6003 3.7247 3.7247 4.9845 4.9845 5.0335 5.0335 5.4837 5.4837 7.0373 7.0373 15.2929 15.2929 16.9565 16.9565 17.8499 17.8499 k = 0.0861 0.0497 0.1405 ( 1735 PWs) bands (ev): -15.8565 -15.8565 -15.0377 -15.0377 -0.2812 -0.2812 -0.1704 -0.1704 0.5141 0.5141 1.8964 1.8964 1.9960 1.9960 3.0824 3.0824 3.6124 3.6124 3.7297 3.7297 5.0049 5.0049 5.0485 5.0485 5.4983 5.4983 6.9399 6.9399 15.3399 15.3399 16.9844 16.9844 17.8192 17.8192 k = 0.0799 0.0461 0.1305 ( 1733 PWs) bands (ev): -15.8637 -15.8637 -15.0318 -15.0318 -0.2890 -0.2890 -0.1927 -0.1927 0.4944 0.4944 1.9082 1.9082 1.9957 1.9957 3.1468 3.1468 3.6236 3.6236 3.7341 3.7341 5.0242 5.0242 5.0624 5.0624 5.5126 5.5126 6.8451 6.8451 15.3826 15.3826 17.0185 17.0185 17.7897 17.7897 k = 0.0738 0.0426 0.1205 ( 1725 PWs) bands (ev): -15.8704 -15.8704 -15.0262 -15.0262 -0.2963 -0.2963 -0.2137 -0.2137 0.4761 0.4761 1.9196 1.9196 1.9954 1.9954 3.2103 3.2103 3.6340 3.6340 3.7380 3.7380 5.0422 5.0422 5.0752 5.0752 5.5266 5.5266 6.7532 6.7532 15.4207 15.4207 17.0587 17.0587 17.7617 17.7617 k = 0.0676 0.0390 0.1104 ( 1729 PWs) bands (ev): -15.8767 -15.8767 -15.0210 -15.0210 -0.3031 -0.3031 -0.2333 -0.2333 0.4591 0.4591 1.9304 1.9304 1.9951 1.9951 3.2723 3.2723 3.6437 3.6437 3.7413 3.7413 5.0590 5.0590 5.0869 5.0869 5.5400 5.5400 6.6649 6.6649 15.4538 15.4538 17.1046 17.1046 17.7352 17.7352 k = 0.0615 0.0355 0.1004 ( 1729 PWs) bands (ev): -15.8825 -15.8825 -15.0162 -15.0162 -0.3094 -0.3094 -0.2514 -0.2514 0.4435 0.4435 1.9406 1.9406 1.9948 1.9948 3.3322 3.3322 3.6530 3.6530 3.7443 3.7443 5.0744 5.0744 5.0974 5.0974 5.5528 5.5528 6.5806 6.5806 15.4822 15.4822 17.1555 17.1555 17.7104 17.7104 k = 0.0553 0.0319 0.0904 ( 1731 PWs) bands (ev): -15.8878 -15.8878 -15.0118 -15.0118 -0.3152 -0.3152 -0.2680 -0.2680 0.4294 0.4294 1.9500 1.9500 1.9944 1.9944 3.3892 3.3892 3.6619 3.6619 3.7468 3.7468 5.0883 5.0883 5.1069 5.1069 5.5647 5.5647 6.5010 6.5010 15.5061 15.5061 17.2105 17.2105 17.6875 17.6875 k = 0.0492 0.0284 0.0803 ( 1735 PWs) bands (ev): -15.8926 -15.8926 -15.0078 -15.0078 -0.3205 -0.3205 -0.2830 -0.2830 0.4167 0.4167 1.9587 1.9587 1.9942 1.9942 3.4423 3.4423 3.6709 3.6709 3.7490 3.7490 5.1008 5.1008 5.1152 5.1152 5.5757 5.5757 6.4268 6.4268 15.5257 15.5257 17.2680 17.2680 17.6666 17.6666 k = 0.0430 0.0248 0.0703 ( 1737 PWs) bands (ev): -15.8968 -15.8968 -15.0043 -15.0043 -0.3252 -0.3252 -0.2964 -0.2964 0.4055 0.4055 1.9665 1.9665 1.9939 1.9939 3.4905 3.4905 3.6805 3.6805 3.7508 3.7508 5.1117 5.1117 5.1225 5.1225 5.5856 5.5856 6.3586 6.3586 15.5415 15.5415 17.3265 17.3265 17.6478 17.6478 k = 0.0369 0.0213 0.0602 ( 1729 PWs) bands (ev): -15.9004 -15.9004 -15.0013 -15.0013 -0.3292 -0.3292 -0.3080 -0.3080 0.3958 0.3958 1.9733 1.9733 1.9937 1.9937 3.5322 3.5322 3.6913 3.6913 3.7524 3.7524 5.1210 5.1210 5.1287 5.1287 5.5943 5.5943 6.2973 6.2973 15.5541 15.5541 17.3838 17.3838 17.6313 17.6313 k = 0.0307 0.0177 0.0502 ( 1729 PWs) bands (ev): -15.9035 -15.9035 -14.9987 -14.9987 -0.3327 -0.3327 -0.3179 -0.3179 0.3875 0.3875 1.9793 1.9793 1.9935 1.9935 3.5662 3.5662 3.7037 3.7037 3.7537 3.7537 5.1287 5.1287 5.1339 5.1339 5.6017 5.6017 6.2437 6.2437 15.5638 15.5638 17.4380 17.4380 17.6172 17.6172 k = 0.0246 0.0142 0.0402 ( 1725 PWs) bands (ev): -15.9061 -15.9061 -14.9965 -14.9965 -0.3356 -0.3356 -0.3261 -0.3261 0.3807 0.3807 1.9842 1.9842 1.9933 1.9933 3.5917 3.5917 3.7179 3.7179 3.7547 3.7547 5.1349 5.1349 5.1381 5.1381 5.6078 5.6078 6.1985 6.1985 15.5710 15.5710 17.4866 17.4866 17.6055 17.6055 k = 0.0184 0.0106 0.0301 ( 1717 PWs) bands (ev): -15.9081 -15.9081 -14.9949 -14.9949 -0.3378 -0.3378 -0.3325 -0.3325 0.3755 0.3755 1.9880 1.9880 1.9932 1.9932 3.6090 3.6090 3.7324 3.7324 3.7555 3.7555 5.1396 5.1396 5.1413 5.1413 5.6125 5.6125 6.1625 6.1625 15.5763 15.5763 17.5275 17.5275 17.5963 17.5963 k = 0.0123 0.0071 0.0201 ( 1717 PWs) bands (ev): -15.9095 -15.9095 -14.9937 -14.9937 -0.3394 -0.3394 -0.3370 -0.3370 0.3717 0.3717 1.9908 1.9908 1.9931 1.9931 3.6198 3.6198 3.7450 3.7450 3.7561 3.7561 5.1429 5.1429 5.1436 5.1436 5.6158 5.6158 6.1363 6.1363 15.5799 15.5799 17.5585 17.5585 17.5897 17.5897 k = 0.0061 0.0035 0.0100 ( 1707 PWs) bands (ev): -15.9104 -15.9104 -14.9929 -14.9929 -0.3404 -0.3404 -0.3398 -0.3398 0.3695 0.3695 1.9925 1.9925 1.9931 1.9931 3.6256 3.6256 3.7535 3.7535 3.7564 3.7564 5.1448 5.1448 5.1450 5.1450 5.6178 5.6178 6.1204 6.1204 15.5819 15.5819 17.5778 17.5778 17.5858 17.5858 k = 0.0000 0.0000 0.0000 ( 1687 PWs) bands (ev): -15.9107 -15.9107 -14.9926 -14.9926 -0.3406 -0.3406 -0.3406 -0.3406 0.3688 0.3688 1.9931 1.9931 1.9931 1.9931 3.6274 3.6274 3.7565 3.7565 3.7565 3.7565 5.1455 5.1455 5.1455 5.1455 5.6185 5.6185 6.1151 6.1151 15.5826 15.5826 17.5845 17.5845 17.5845 17.5845 k = 0.0000 0.0000 0.0000 ( 1687 PWs) bands (ev): -15.9107 -15.9107 -14.9926 -14.9926 -0.3406 -0.3406 -0.3406 -0.3406 0.3688 0.3688 1.9931 1.9931 1.9931 1.9931 3.6274 3.6274 3.7565 3.7565 3.7565 3.7565 5.1455 5.1455 5.1455 5.1455 5.6185 5.6185 6.1151 6.1151 15.5826 15.5826 17.5845 17.5845 17.5845 17.5845 k = 0.0100 0.0058 0.0041 ( 1708 PWs) bands (ev): -15.9104 -15.9104 -14.9929 -14.9929 -0.3404 -0.3404 -0.3398 -0.3398 0.3694 0.3694 1.9926 1.9926 1.9929 1.9929 3.6256 3.6256 3.7535 3.7535 3.7565 3.7565 5.1448 5.1448 5.1450 5.1450 5.6178 5.6178 6.1204 6.1204 15.5819 15.5819 17.5778 17.5778 17.5858 17.5858 k = 0.0200 0.0115 0.0082 ( 1717 PWs) bands (ev): -15.9095 -15.9095 -14.9937 -14.9937 -0.3395 -0.3395 -0.3370 -0.3370 0.3717 0.3717 1.9913 1.9913 1.9927 1.9927 3.6198 3.6198 3.7449 3.7449 3.7563 3.7563 5.1429 5.1429 5.1437 5.1437 5.6159 5.6159 6.1362 6.1362 15.5799 15.5799 17.5583 17.5583 17.5901 17.5901 k = 0.0300 0.0173 0.0122 ( 1717 PWs) bands (ev): -15.9081 -15.9081 -14.9948 -14.9948 -0.3380 -0.3380 -0.3323 -0.3323 0.3754 0.3754 1.9891 1.9891 1.9922 1.9922 3.6091 3.6091 3.7322 3.7322 3.7560 3.7560 5.1395 5.1395 5.1414 5.1414 5.6125 5.6125 6.1622 6.1622 15.5764 15.5764 17.5271 17.5271 17.5971 17.5971 k = 0.0400 0.0231 0.0163 ( 1723 PWs) bands (ev): -15.9061 -15.9061 -14.9965 -14.9965 -0.3359 -0.3359 -0.3259 -0.3259 0.3806 0.3806 1.9860 1.9860 1.9916 1.9916 3.5917 3.5917 3.7176 3.7176 3.7555 3.7555 5.1346 5.1346 5.1384 5.1384 5.6078 5.6078 6.1980 6.1980 15.5711 15.5711 17.4859 17.4859 17.6070 17.6070 k = 0.0500 0.0289 0.0204 ( 1729 PWs) bands (ev): -15.9036 -15.9036 -14.9986 -14.9986 -0.3333 -0.3333 -0.3176 -0.3176 0.3873 0.3873 1.9822 1.9822 1.9909 1.9909 3.5661 3.5661 3.7034 3.7034 3.7549 3.7549 5.1279 5.1279 5.1345 5.1345 5.6018 5.6018 6.2431 6.2431 15.5638 15.5638 17.4368 17.4368 17.6196 17.6196 k = 0.0600 0.0346 0.0245 ( 1729 PWs) bands (ev): -15.9005 -15.9005 -15.0012 -15.0012 -0.3301 -0.3301 -0.3075 -0.3075 0.3955 0.3955 1.9776 1.9776 1.9900 1.9900 3.5319 3.5319 3.6910 3.6910 3.7540 3.7540 5.1193 5.1193 5.1297 5.1297 5.5944 5.5944 6.2967 6.2967 15.5541 15.5541 17.3822 17.3822 17.6349 17.6349 k = 0.0700 0.0404 0.0286 ( 1726 PWs) bands (ev): -15.8969 -15.8969 -15.0042 -15.0042 -0.3263 -0.3263 -0.2956 -0.2956 0.4051 0.4051 1.9723 1.9723 1.9891 1.9891 3.4898 3.4898 3.6804 3.6804 3.7529 3.7529 5.1085 5.1085 5.1243 5.1243 5.5859 5.5859 6.3580 6.3580 15.5415 15.5415 17.3244 17.3244 17.6530 17.6530 k = 0.0800 0.0462 0.0327 ( 1726 PWs) bands (ev): -15.8927 -15.8927 -15.0077 -15.0077 -0.3220 -0.3220 -0.2821 -0.2821 0.4162 0.4162 1.9664 1.9664 1.9882 1.9882 3.4413 3.4413 3.6710 3.6710 3.7515 3.7515 5.0955 5.0955 5.1181 5.1181 5.5763 5.5763 6.4263 6.4263 15.5254 15.5254 17.2655 17.2655 17.6737 17.6737 k = 0.0900 0.0520 0.0367 ( 1720 PWs) bands (ev): -15.8879 -15.8879 -15.0117 -15.0117 -0.3173 -0.3173 -0.2668 -0.2668 0.4286 0.4286 1.9598 1.9598 1.9874 1.9874 3.3878 3.3878 3.6621 3.6621 3.7496 3.7496 5.0800 5.0800 5.1112 5.1112 5.5660 5.5660 6.5007 6.5007 15.5053 15.5053 17.2077 17.2077 17.6969 17.6969 k = 0.1000 0.0577 0.0408 ( 1720 PWs) bands (ev): -15.8827 -15.8827 -15.0160 -15.0160 -0.3120 -0.3120 -0.2498 -0.2498 0.4425 0.4425 1.9528 1.9528 1.9866 1.9866 3.3304 3.3304 3.6532 3.6532 3.7473 3.7473 5.0619 5.0619 5.1038 5.1038 5.5550 5.5550 6.5806 6.5806 15.4807 15.4807 17.1527 17.1527 17.7227 17.7227 k = 0.1100 0.0635 0.0449 ( 1726 PWs) bands (ev): -15.8770 -15.8770 -15.0208 -15.0208 -0.3063 -0.3063 -0.2313 -0.2313 0.4577 0.4577 1.9454 1.9454 1.9859 1.9859 3.2701 3.2701 3.6439 3.6439 3.7445 3.7445 5.0411 5.0411 5.0958 5.0958 5.5437 5.5437 6.6652 6.6652 15.4510 15.4510 17.1021 17.1021 17.7509 17.7509 k = 0.1200 0.0693 0.0490 ( 1732 PWs) bands (ev): -15.8707 -15.8707 -15.0260 -15.0260 -0.3002 -0.3002 -0.2112 -0.2112 0.4742 0.4742 1.9377 1.9377 1.9855 1.9855 3.2076 3.2076 3.6341 3.6341 3.7411 3.7411 5.0176 5.0176 5.0873 5.0873 5.5322 5.5322 6.7539 6.7539 15.4159 15.4159 17.0572 17.0572 17.7815 17.7815 k = 0.1300 0.0751 0.0531 ( 1732 PWs) bands (ev): -15.8640 -15.8640 -15.0316 -15.0316 -0.2937 -0.2937 -0.1896 -0.1896 0.4920 0.4920 1.9297 1.9297 1.9853 1.9853 3.1436 3.1436 3.6235 3.6235 3.7369 3.7369 4.9912 4.9912 5.0785 5.0785 5.5209 5.5209 6.8461 6.8461 15.3752 15.3752 17.0188 17.0188 17.8144 17.8144 k = 0.1400 0.0808 0.0572 ( 1735 PWs) bands (ev): -15.8568 -15.8568 -15.0376 -15.0376 -0.2868 -0.2868 -0.1666 -0.1666 0.5110 0.5110 1.9217 1.9217 1.9854 1.9854 3.0786 3.0786 3.6119 3.6119 3.7320 3.7320 4.9618 4.9618 5.0694 5.0694 5.5098 5.5098 6.9414 6.9414 15.3289 15.3289 16.9876 16.9876 17.8494 17.8494 k = 0.1500 0.0866 0.0612 ( 1735 PWs) bands (ev): -15.8491 -15.8491 -15.0440 -15.0440 -0.2796 -0.2796 -0.1422 -0.1422 0.5312 0.5312 1.9136 1.9136 1.9860 1.9860 3.0131 3.0131 3.5994 3.5994 3.7263 3.7263 4.9296 4.9296 5.0600 5.0600 5.4991 5.4991 7.0393 7.0393 15.2772 15.2772 16.9637 16.9637 17.8865 17.8865 k = 0.1600 0.0924 0.0653 ( 1735 PWs) bands (ev): -15.8410 -15.8410 -15.0508 -15.0508 -0.2721 -0.2721 -0.1166 -0.1166 0.5525 0.5525 1.9057 1.9057 1.9870 1.9870 2.9474 2.9474 3.5857 3.5857 3.7196 3.7196 4.8945 4.8945 5.0505 5.0505 5.4890 5.4890 7.1394 7.1394 15.2205 15.2205 16.9471 16.9471 17.9256 17.9256 k = 0.1700 0.0981 0.0694 ( 1735 PWs) bands (ev): -15.8324 -15.8324 -15.0579 -15.0579 -0.2644 -0.2644 -0.0897 -0.0897 0.5749 0.5749 1.8981 1.8981 1.9886 1.9886 2.8818 2.8818 3.5708 3.5708 3.7119 3.7119 4.8565 4.8565 5.0410 5.0410 5.4796 5.4796 7.2413 7.2413 15.1592 15.1592 16.9376 16.9376 17.9665 17.9665 k = 0.1800 0.1039 0.0735 ( 1729 PWs) bands (ev): -15.8235 -15.8235 -15.0653 -15.0653 -0.2565 -0.2565 -0.0616 -0.0616 0.5982 0.5982 1.8908 1.8908 1.9907 1.9907 2.8166 2.8166 3.5547 3.5547 3.7031 3.7031 4.8157 4.8157 5.0315 5.0315 5.4710 5.4710 7.3446 7.3446 15.0941 15.0941 16.9347 16.9347 18.0091 18.0091 k = 0.1900 0.1097 0.0776 ( 1723 PWs) bands (ev): -15.8141 -15.8141 -15.0731 -15.0731 -0.2485 -0.2485 -0.0325 -0.0325 0.6224 0.6224 1.8841 1.8841 1.9936 1.9936 2.7521 2.7521 3.5374 3.5374 3.6931 3.6931 4.7723 4.7723 5.0220 5.0220 5.4631 5.4631 7.4492 7.4492 15.0257 15.0257 16.9378 16.9378 18.0533 18.0533 k = 0.2000 0.1155 0.0816 ( 1724 PWs) bands (ev): -15.8044 -15.8044 -15.0812 -15.0812 -0.2403 -0.2403 -0.0025 -0.0025 0.6474 0.6474 1.8781 1.8781 1.9971 1.9971 2.6884 2.6884 3.5187 3.5187 3.6818 3.6818 4.7263 4.7263 5.0128 5.0128 5.4561 5.4561 7.5546 7.5546 14.9548 14.9548 16.9462 16.9462 18.0989 18.0989 k = 0.2100 0.1212 0.0857 ( 1721 PWs) bands (ev): -15.7943 -15.7943 -15.0896 -15.0896 -0.2321 -0.2321 0.0284 0.0284 0.6730 0.6730 1.8730 1.8730 2.0015 2.0015 2.6258 2.6258 3.4988 3.4988 3.6693 3.6693 4.6779 4.6779 5.0038 5.0038 5.4499 5.4499 7.6607 7.6607 14.8819 14.8819 16.9595 16.9595 18.1459 18.1459 k = 0.2200 0.1270 0.0898 ( 1721 PWs) bands (ev): -15.7839 -15.7839 -15.0983 -15.0983 -0.2238 -0.2238 0.0601 0.0601 0.6992 0.6992 1.8690 1.8690 2.0067 2.0067 2.5645 2.5645 3.4776 3.4776 3.6555 3.6555 4.6272 4.6272 4.9951 4.9951 5.4445 5.4445 7.7671 7.7671 14.8077 14.8077 16.9769 16.9769 18.1939 18.1939 k = 0.2300 0.1328 0.0939 ( 1721 PWs) bands (ev): -15.7732 -15.7732 -15.1073 -15.1073 -0.2155 -0.2155 0.0925 0.0925 0.7257 0.7257 1.8661 1.8661 2.0128 2.0128 2.5044 2.5044 3.4552 3.4552 3.6402 3.6402 4.5744 4.5744 4.9868 4.9868 5.4399 5.4399 7.8736 7.8736 14.7327 14.7327 16.9979 16.9979 18.2429 18.2429 k = 0.2400 0.1386 0.0980 ( 1718 PWs) bands (ev): -15.7622 -15.7622 -15.1165 -15.1165 -0.2073 -0.2073 0.1255 0.1255 0.7524 0.7524 1.8647 1.8647 2.0199 2.0199 2.4460 2.4460 3.4316 3.4316 3.6236 3.6236 4.5195 4.5195 4.9789 4.9789 5.4361 5.4361 7.9800 7.9800 14.6572 14.6572 17.0219 17.0219 18.2927 18.2927 k = 0.2500 0.1443 0.1021 ( 1724 PWs) bands (ev): -15.7509 -15.7509 -15.1261 -15.1261 -0.1992 -0.1992 0.1589 0.1589 0.7791 0.7791 1.8648 1.8648 2.0280 2.0280 2.3892 2.3892 3.4068 3.4068 3.6056 3.6056 4.4629 4.4629 4.9715 4.9715 5.4330 5.4330 8.0861 8.0861 14.5818 14.5818 17.0485 17.0485 18.3430 18.3430 k = 0.2600 0.1501 0.1061 ( 1712 PWs) bands (ev): -15.7393 -15.7393 -15.1357 -15.1357 -0.1912 -0.1912 0.1927 0.1927 0.8058 0.8058 1.8668 1.8668 2.0372 2.0372 2.3342 2.3342 3.3809 3.3809 3.5862 3.5862 4.4046 4.4046 4.9646 4.9646 5.4305 5.4305 8.1916 8.1916 14.5067 14.5067 17.0773 17.0773 18.3938 18.3938 k = 0.2700 0.1559 0.1102 ( 1712 PWs) bands (ev): -15.7275 -15.7275 -15.1457 -15.1457 -0.1834 -0.1834 0.2267 0.2267 0.8320 0.8320 1.8707 1.8707 2.0474 2.0474 2.2811 2.2811 3.3541 3.3541 3.5654 3.5654 4.3448 4.3448 4.9582 4.9582 5.4287 5.4287 8.2962 8.2962 14.4323 14.4323 17.1076 17.1076 18.4448 18.4448 k = 0.2800 0.1617 0.1143 ( 1712 PWs) bands (ev): -15.7155 -15.7155 -15.1559 -15.1559 -0.1757 -0.1757 0.2608 0.2608 0.8577 0.8577 1.8767 1.8767 2.0586 2.0586 2.2302 2.2302 3.3263 3.3263 3.5433 3.5433 4.2836 4.2836 4.9523 4.9523 5.4274 5.4274 8.3999 8.3999 14.3587 14.3587 17.1393 17.1393 18.4959 18.4959 k = 0.2900 0.1674 0.1184 ( 1718 PWs) bands (ev): -15.7033 -15.7033 -15.1663 -15.1663 -0.1683 -0.1683 0.2948 0.2948 0.8827 0.8827 1.8849 1.8849 2.0710 2.0710 2.1816 2.1816 3.2978 3.2978 3.5198 3.5198 4.2211 4.2211 4.9470 4.9470 5.4266 5.4266 8.5022 8.5022 14.2862 14.2862 17.1719 17.1719 18.5467 18.5467 k = 0.3000 0.1732 0.1225 ( 1712 PWs) bands (ev): -15.6909 -15.6909 -15.1768 -15.1768 -0.1612 -0.1612 0.3287 0.3287 0.9068 0.9068 1.8951 1.8951 2.0845 2.0845 2.1357 2.1357 3.2686 3.2686 3.4952 3.4952 4.1576 4.1576 4.9422 4.9422 5.4264 5.4264 8.6030 8.6030 14.2151 14.2151 17.2051 17.2051 18.5972 18.5972 k = 0.3100 0.1790 0.1266 ( 1712 PWs) bands (ev): -15.6784 -15.6784 -15.1875 -15.1875 -0.1543 -0.1543 0.3623 0.3623 0.9297 0.9297 1.9070 1.9070 2.0933 2.0933 2.0990 2.0990 3.2389 3.2389 3.4694 3.4694 4.0930 4.0930 4.9379 4.9379 5.4265 5.4265 8.7020 8.7020 14.1454 14.1454 17.2386 17.2386 18.6471 18.6471 k = 0.3200 0.1848 0.1306 ( 1703 PWs) bands (ev): -15.6656 -15.6656 -15.1984 -15.1984 -0.1477 -0.1477 0.3954 0.3954 0.9515 0.9515 1.9190 1.9190 2.0559 2.0559 2.1147 2.1147 3.2088 3.2088 3.4427 3.4427 4.0277 4.0277 4.9341 4.9341 5.4269 5.4269 8.7990 8.7990 14.0773 14.0773 17.2721 17.2721 18.6961 18.6961 k = 0.3300 0.1905 0.1347 ( 1694 PWs) bands (ev): -15.6528 -15.6528 -15.2095 -15.2095 -0.1414 -0.1414 0.4280 0.4280 0.9719 0.9719 1.9267 1.9267 2.0282 2.0282 2.1314 2.1314 3.1785 3.1785 3.4149 3.4149 3.9617 3.9617 4.9307 4.9307 5.4277 5.4277 8.8936 8.8936 14.0111 14.0111 17.3053 17.3053 18.7441 18.7441 k = 0.3400 0.1963 0.1388 ( 1700 PWs) bands (ev): -15.6399 -15.6399 -15.2207 -15.2207 -0.1355 -0.1355 0.4597 0.4597 0.9908 0.9908 1.9209 1.9209 2.0195 2.0195 2.1491 2.1491 3.1481 3.1481 3.3863 3.3863 3.8952 3.8952 4.9278 4.9278 5.4287 5.4287 8.9857 8.9857 13.9468 13.9468 17.3379 17.3379 18.7909 18.7909 k = 0.3500 0.2021 0.1429 ( 1706 PWs) bands (ev): -15.6270 -15.6270 -15.2320 -15.2320 -0.1299 -0.1299 0.4905 0.4905 1.0082 1.0082 1.8999 1.8999 2.0314 2.0314 2.1676 2.1676 3.1179 3.1179 3.3571 3.3571 3.8282 3.8282 4.9253 4.9253 5.4300 5.4300 9.0748 9.0748 13.8846 13.8846 17.3698 17.3698 18.8362 18.8362 k = 0.3600 0.2078 0.1470 ( 1706 PWs) bands (ev): -15.6139 -15.6139 -15.2435 -15.2435 -0.1247 -0.1247 0.5202 0.5202 1.0242 1.0242 1.8727 1.8727 2.0552 2.0552 2.1871 2.1871 3.0881 3.0881 3.3273 3.3273 3.7609 3.7609 4.9232 4.9232 5.4314 5.4314 9.1607 9.1607 13.8248 13.8248 17.4007 17.4007 18.8798 18.8798 k = 0.3700 0.2136 0.1511 ( 1706 PWs) bands (ev): -15.6009 -15.6009 -15.2550 -15.2550 -0.1198 -0.1198 0.5485 0.5485 1.0387 1.0387 1.8446 1.8446 2.0853 2.0853 2.2072 2.2072 3.0589 3.0589 3.2973 3.2973 3.6935 3.6935 4.9214 4.9214 5.4328 5.4328 9.2431 9.2431 13.7675 13.7675 17.4304 17.4304 18.9215 18.9215 k = 0.3800 0.2194 0.1551 ( 1706 PWs) bands (ev): -15.5878 -15.5878 -15.2667 -15.2667 -0.1153 -0.1153 0.5755 0.5755 1.0518 1.0518 1.8175 1.8175 2.1197 2.1197 2.2280 2.2280 3.0305 3.0305 3.2670 3.2670 3.6261 3.6261 4.9200 4.9200 5.4344 5.4344 9.3216 9.3216 13.7129 13.7129 17.4587 17.4587 18.9610 18.9610 k = 0.3900 0.2252 0.1592 ( 1706 PWs) bands (ev): -15.5747 -15.5747 -15.2784 -15.2784 -0.1112 -0.1112 0.6008 0.6008 1.0636 1.0636 1.7922 1.7922 2.1574 2.1574 2.2492 2.2492 3.0032 3.0032 3.2369 3.2369 3.5588 3.5588 4.9188 4.9188 5.4360 5.4360 9.3958 9.3958 13.6613 13.6613 17.4854 17.4854 18.9983 18.9983 k = 0.4000 0.2309 0.1633 ( 1712 PWs) bands (ev): -15.5617 -15.5617 -15.2901 -15.2901 -0.1074 -0.1074 0.6243 0.6243 1.0741 1.0741 1.7690 1.7690 2.1978 2.1978 2.2706 2.2706 2.9774 2.9774 3.2071 3.2071 3.4918 3.4918 4.9178 4.9178 5.4376 5.4376 9.4654 9.4654 13.6128 13.6128 17.5103 17.5103 19.0330 19.0330 k = 0.4100 0.2367 0.1674 ( 1697 PWs) bands (ev): -15.5488 -15.5488 -15.3019 -15.3019 -0.1040 -0.1040 0.6460 0.6460 1.0836 1.0836 1.7481 1.7481 2.2405 2.2405 2.2920 2.2920 2.9532 2.9532 3.1780 3.1780 3.4254 3.4254 4.9170 4.9170 5.4391 5.4391 9.5299 9.5299 13.5678 13.5678 17.5334 17.5334 19.0651 19.0651 k = 0.4200 0.2425 0.1715 ( 1697 PWs) bands (ev): -15.5360 -15.5360 -15.3136 -15.3136 -0.1010 -0.1010 0.6655 0.6655 1.0919 1.0919 1.7296 1.7296 2.2849 2.2849 2.3132 2.3132 2.9310 2.9310 3.1498 3.1498 3.3596 3.3596 4.9164 4.9164 5.4405 5.4405 9.5891 9.5891 13.5264 13.5264 17.5544 17.5544 19.0943 19.0943 k = 0.4300 0.2483 0.1755 ( 1700 PWs) bands (ev): -15.5233 -15.5233 -15.3253 -15.3253 -0.0984 -0.0984 0.6830 0.6830 1.0991 1.0991 1.7134 1.7134 2.3305 2.3305 2.3337 2.3337 2.9114 2.9114 3.1229 3.1229 3.2949 3.2949 4.9160 4.9160 5.4419 5.4419 9.6425 9.6425 13.4891 13.4891 17.5732 17.5732 19.1204 19.1204 k = 0.4400 0.2540 0.1796 ( 1700 PWs) bands (ev): -15.5109 -15.5109 -15.3369 -15.3369 -0.0961 -0.0961 0.6982 0.6982 1.1054 1.1054 1.6995 1.6995 2.3532 2.3532 2.3766 2.3766 2.8946 2.8946 3.0979 3.0979 3.2315 3.2315 4.9156 4.9156 5.4431 5.4431 9.6897 9.6897 13.4560 13.4560 17.5897 17.5897 19.1434 19.1434 k = 0.4500 0.2598 0.1837 ( 1712 PWs) bands (ev): -15.4990 -15.4990 -15.3482 -15.3482 -0.0942 -0.0942 0.7111 0.7111 1.1106 1.1106 1.6879 1.6879 2.3711 2.3711 2.4222 2.4222 2.8815 2.8815 3.0752 3.0752 3.1699 3.1699 4.9154 4.9154 5.4442 5.4442 9.7303 9.7303 13.4274 13.4274 17.6039 17.6039 19.1631 19.1631 k = 0.4600 0.2656 0.1878 ( 1712 PWs) bands (ev): -15.4876 -15.4876 -15.3590 -15.3590 -0.0926 -0.0926 0.7217 0.7217 1.1150 1.1150 1.6786 1.6786 2.3869 2.3869 2.4659 2.4659 2.8727 2.8727 3.0554 3.0554 3.1109 3.1109 4.9152 4.9152 5.4451 5.4451 9.7641 9.7641 13.4036 13.4036 17.6155 17.6155 19.1793 19.1793 k = 0.4700 0.2714 0.1919 ( 1712 PWs) bands (ev): -15.4771 -15.4771 -15.3690 -15.3690 -0.0914 -0.0914 0.7300 0.7300 1.1183 1.1183 1.6714 1.6714 2.4001 2.4001 2.5056 2.5056 2.8695 2.8695 3.0392 3.0392 3.0556 3.0556 4.9151 4.9151 5.4458 5.4458 9.7907 9.7907 13.3849 13.3849 17.6247 17.6247 19.1920 19.1920 k = 0.4800 0.2771 0.1960 ( 1712 PWs) bands (ev): -15.4682 -15.4682 -15.3775 -15.3775 -0.0905 -0.0905 0.7359 0.7359 1.1207 1.1207 1.6663 1.6663 2.4101 2.4101 2.5383 2.5383 2.8732 2.8732 3.0057 3.0057 3.0270 3.0270 4.9150 4.9150 5.4463 5.4463 9.8099 9.8099 13.3713 13.3713 17.6313 17.6313 19.2012 19.2012 k = 0.4900 0.2829 0.2000 ( 1712 PWs) bands (ev): -15.4620 -15.4620 -15.3835 -15.3835 -0.0900 -0.0900 0.7394 0.7394 1.1222 1.1222 1.6633 1.6633 2.4163 2.4163 2.5603 2.5603 2.8840 2.8840 2.9648 2.9648 3.0195 3.0195 4.9149 4.9149 5.4466 5.4466 9.8215 9.8215 13.3631 13.3631 17.6353 17.6353 19.2067 19.2067 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -15.4597 -15.4597 -15.3858 -15.3858 -0.0898 -0.0898 0.7406 0.7406 1.1226 1.1226 1.6623 1.6623 2.4184 2.4184 2.5680 2.5680 2.8932 2.8932 2.9450 2.9450 3.0169 3.0169 4.9149 4.9149 5.4467 5.4467 9.8254 9.8254 13.3604 13.3604 17.6366 17.6366 19.2085 19.2085 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -15.4597 -15.4597 -15.3858 -15.3858 -0.0898 -0.0898 0.7406 0.7406 1.1226 1.1226 1.6623 1.6623 2.4184 2.4184 2.5680 2.5680 2.8932 2.8932 2.9450 2.9450 3.0169 3.0169 4.9149 4.9149 5.4467 5.4467 9.8254 9.8254 13.3604 13.3604 17.6366 17.6366 19.2085 19.2085 k = 0.5036 0.2784 0.2100 ( 1706 PWs) bands (ev): -15.4596 -15.4596 -15.3858 -15.3858 -0.0894 -0.0894 0.7411 0.7411 1.1221 1.1221 1.6603 1.6603 2.4161 2.4161 2.5703 2.5703 2.8880 2.8880 2.9439 2.9439 3.0261 3.0261 4.9144 4.9144 5.4458 5.4458 9.8262 9.8262 13.3622 13.3622 17.6343 17.6343 19.2048 19.2048 k = 0.5071 0.2681 0.2158 ( 1706 PWs) bands (ev): -15.4594 -15.4594 -15.3859 -15.3859 -0.0881 -0.0881 0.7424 0.7424 1.1203 1.1203 1.6543 1.6543 2.4095 2.4095 2.5766 2.5766 2.8741 2.8741 2.9434 2.9434 3.0486 3.0486 4.9129 4.9129 5.4432 5.4432 9.8285 9.8285 13.3677 13.3677 17.6274 17.6274 19.1939 19.1939 k = 0.5107 0.2577 0.2216 ( 1706 PWs) bands (ev): -15.4589 -15.4589 -15.3860 -15.3860 -0.0859 -0.0859 0.7447 0.7447 1.1174 1.1174 1.6445 1.6445 2.3995 2.3995 2.5865 2.5865 2.8556 2.8556 2.9455 2.9455 3.0782 3.0782 4.9103 4.9103 5.4388 5.4388 9.8324 9.8324 13.3768 13.3768 17.6158 17.6158 19.1761 19.1761 k = 0.5143 0.2474 0.2275 ( 1706 PWs) bands (ev): -15.4584 -15.4584 -15.3862 -15.3862 -0.0828 -0.0828 0.7478 0.7478 1.1133 1.1133 1.6311 1.6311 2.3869 2.3869 2.5992 2.5992 2.8357 2.8357 2.9498 2.9498 3.1116 3.1116 4.9067 4.9067 5.4327 5.4327 9.8378 9.8378 13.3895 13.3895 17.5993 17.5993 19.1520 19.1520 k = 0.5179 0.2371 0.2333 ( 1709 PWs) bands (ev): -15.4576 -15.4576 -15.3864 -15.3864 -0.0789 -0.0789 0.7518 0.7518 1.1081 1.1081 1.6143 1.6143 2.3724 2.3724 2.6140 2.6140 2.8161 2.8161 2.9555 2.9555 3.1476 3.1476 4.9020 4.9020 5.4249 5.4249 9.8447 9.8447 13.4057 13.4057 17.5778 17.5778 19.1223 19.1223 k = 0.5214 0.2268 0.2391 ( 1715 PWs) bands (ev): -15.4567 -15.4567 -15.3867 -15.3867 -0.0742 -0.0742 0.7566 0.7566 1.1016 1.1016 1.5946 1.5946 2.3568 2.3568 2.6304 2.6304 2.7977 2.7977 2.9622 2.9622 3.1853 3.1853 4.8964 4.8964 5.4156 5.4156 9.8532 9.8532 13.4255 13.4255 17.5510 17.5510 19.0880 19.0880 k = 0.5250 0.2165 0.2449 ( 1719 PWs) bands (ev): -15.4557 -15.4557 -15.3870 -15.3870 -0.0686 -0.0686 0.7622 0.7622 1.0939 1.0939 1.5724 1.5724 2.3405 2.3405 2.6475 2.6475 2.7814 2.7814 2.9695 2.9695 3.2242 3.2242 4.8897 4.8897 5.4048 5.4048 9.8631 9.8631 13.4487 13.4487 17.5187 17.5187 19.0500 19.0500 k = 0.5286 0.2062 0.2508 ( 1722 PWs) bands (ev): -15.4545 -15.4545 -15.3874 -15.3874 -0.0623 -0.0623 0.7685 0.7685 1.0850 1.0850 1.5482 1.5482 2.3237 2.3237 2.6636 2.6636 2.7687 2.7687 2.9772 2.9772 3.2639 3.2639 4.8820 4.8820 5.3927 5.3927 9.8745 9.8745 13.4753 13.4753 17.4807 17.4807 19.0095 19.0095 k = 0.5321 0.1959 0.2566 ( 1722 PWs) bands (ev): -15.4532 -15.4532 -15.3878 -15.3878 -0.0552 -0.0552 0.7755 0.7755 1.0748 1.0748 1.5226 1.5226 2.3068 2.3068 2.6755 2.6755 2.7628 2.7628 2.9849 2.9849 3.3039 3.3039 4.8734 4.8734 5.3793 5.3793 9.8873 9.8873 13.5052 13.5052 17.4366 17.4366 18.9674 18.9674 k = 0.5357 0.1856 0.2624 ( 1726 PWs) bands (ev): -15.4517 -15.4517 -15.3882 -15.3882 -0.0475 -0.0475 0.7831 0.7831 1.0633 1.0633 1.4960 1.4960 2.2898 2.2898 2.6790 2.6790 2.7675 2.7675 2.9925 2.9925 3.3439 3.3439 4.8637 4.8637 5.3649 5.3649 9.9015 9.9015 13.5383 13.5383 17.3865 17.3865 18.9247 18.9247 k = 0.5393 0.1753 0.2683 ( 1721 PWs) bands (ev): -15.4501 -15.4501 -15.3887 -15.3887 -0.0390 -0.0390 0.7912 0.7912 1.0505 1.0505 1.4692 1.4692 2.2728 2.2728 2.6741 2.6741 2.7829 2.7829 3.0001 3.0001 3.3836 3.3836 4.8531 4.8531 5.3496 5.3496 9.9171 9.9171 13.5746 13.5746 17.3301 17.3302 18.8823 18.8823 k = 0.5429 0.1650 0.2741 ( 1717 PWs) bands (ev): -15.4485 -15.4485 -15.3891 -15.3891 -0.0300 -0.0300 0.7996 0.7996 1.0365 1.0365 1.4428 1.4428 2.2559 2.2559 2.6646 2.6646 2.8047 2.8047 3.0076 3.0076 3.4228 3.4228 4.8415 4.8415 5.3335 5.3335 9.9339 9.9339 13.6139 13.6139 17.2677 17.2677 18.8407 18.8407 k = 0.5464 0.1546 0.2799 ( 1715 PWs) bands (ev): -15.4467 -15.4467 -15.3897 -15.3897 -0.0205 -0.0205 0.8080 0.8080 1.0213 1.0213 1.4172 1.4172 2.2390 2.2390 2.6533 2.6533 2.8297 2.8297 3.0150 3.0150 3.4612 3.4612 4.8289 4.8289 5.3170 5.3170 9.9520 9.9520 13.6561 13.6561 17.1994 17.1994 18.8007 18.8007 k = 0.5500 0.1443 0.2858 ( 1719 PWs) bands (ev): -15.4448 -15.4448 -15.3902 -15.3902 -0.0105 -0.0105 0.8160 0.8160 1.0052 1.0052 1.3931 1.3931 2.2220 2.2220 2.6416 2.6416 2.8561 2.8561 3.0229 3.0229 3.4984 3.4984 4.8154 4.8154 5.3001 5.3001 9.9713 9.9713 13.7011 13.7011 17.1254 17.1254 18.7625 18.7625 k = 0.5536 0.1340 0.2916 ( 1714 PWs) bands (ev): -15.4429 -15.4429 -15.3907 -15.3907 -0.0001 -0.0001 0.8231 0.8231 0.9888 0.9888 1.3709 1.3709 2.2049 2.2049 2.6301 2.6301 2.8824 2.8824 3.0318 3.0318 3.5344 3.5344 4.8010 4.8010 5.2831 5.2831 9.9917 9.9917 13.7488 13.7488 17.0462 17.0462 18.7263 18.7263 k = 0.5571 0.1237 0.2974 ( 1715 PWs) bands (ev): -15.4410 -15.4410 -15.3913 -15.3913 0.0104 0.0104 0.8283 0.8283 0.9731 0.9731 1.3511 1.3511 2.1878 2.1878 2.6192 2.6192 2.9069 2.9069 3.0427 3.0427 3.5687 3.5687 4.7858 4.7858 5.2661 5.2661 10.0131 10.0131 13.7990 13.7990 16.9623 16.9623 18.6923 18.6923 k = 0.5607 0.1134 0.3033 ( 1717 PWs) bands (ev): -15.4390 -15.4390 -15.3918 -15.3918 0.0211 0.0211 0.8302 0.8302 0.9593 0.9593 1.3340 1.3340 2.1704 2.1704 2.6088 2.6088 2.9280 2.9280 3.0572 3.0572 3.6013 3.6013 4.7697 4.7697 5.2495 5.2495 10.0354 10.0354 13.8514 13.8514 16.8743 16.8743 18.6604 18.6604 k = 0.5643 0.1031 0.3091 ( 1717 PWs) bands (ev): -15.4370 -15.4370 -15.3923 -15.3923 0.0317 0.0317 0.8273 0.8273 0.9492 0.9492 1.3198 1.3198 2.1527 2.1527 2.5993 2.5993 2.9441 2.9441 3.0766 3.0766 3.6318 3.6318 4.7530 4.7530 5.2333 5.2333 10.0586 10.0586 13.9061 13.9061 16.7829 16.7829 18.6304 18.6304 k = 0.5679 0.0928 0.3149 ( 1715 PWs) bands (ev): -15.4351 -15.4351 -15.3927 -15.3927 0.0421 0.0421 0.8188 0.8188 0.9440 0.9440 1.3088 1.3088 2.1348 2.1348 2.5904 2.5904 2.9545 2.9545 3.1012 3.1012 3.6601 3.6601 4.7358 4.7358 5.2178 5.2178 10.0824 10.0824 13.9627 13.9627 16.6886 16.6886 18.6023 18.6023 k = 0.5714 0.0825 0.3208 ( 1712 PWs) bands (ev): -15.4333 -15.4333 -15.3930 -15.3930 0.0521 0.0521 0.8051 0.8051 0.9431 0.9431 1.3010 1.3010 2.1167 2.1167 2.5824 2.5824 2.9600 2.9600 3.1302 3.1302 3.6858 3.6858 4.7183 4.7183 5.2031 5.2031 10.1068 10.1068 14.0209 14.0209 16.5923 16.5923 18.5757 18.5757 k = 0.5750 0.0722 0.3266 ( 1712 PWs) bands (ev): -15.4316 -15.4316 -15.3932 -15.3932 0.0615 0.0615 0.7882 0.7882 0.9451 0.9451 1.2967 1.2967 2.0981 2.0981 2.5751 2.5751 2.9617 2.9617 3.1624 3.1624 3.7087 3.7087 4.7007 4.7007 5.1893 5.1893 10.1316 10.1316 14.0807 14.0807 16.4946 16.4946 18.5505 18.5505 k = 0.5786 0.0619 0.3324 ( 1712 PWs) bands (ev): -15.4301 -15.4301 -15.3932 -15.3932 0.0699 0.0699 0.7696 0.7696 0.9485 0.9485 1.2958 1.2958 2.0794 2.0794 2.5684 2.5684 2.9605 2.9605 3.1967 3.1967 3.7287 3.7287 4.6834 4.6834 5.1765 5.1765 10.1566 10.1566 14.1415 14.1415 16.3964 16.3964 18.5265 18.5265 k = 0.5821 0.0515 0.3383 ( 1708 PWs) bands (ev): -15.4288 -15.4288 -15.3929 -15.3929 0.0772 0.0772 0.7510 0.7510 0.9522 0.9522 1.2983 1.2983 2.0603 2.0603 2.5624 2.5624 2.9571 2.9571 3.2322 3.2322 3.7455 3.7455 4.6665 4.6665 5.1649 5.1649 10.1818 10.1818 14.2030 14.2030 16.2984 16.2984 18.5034 18.5034 k = 0.5857 0.0412 0.3441 ( 1712 PWs) bands (ev): -15.4279 -15.4279 -15.3924 -15.3924 0.0831 0.0831 0.7334 0.7334 0.9554 0.9554 1.3043 1.3043 2.0411 2.0411 2.5570 2.5570 2.9520 2.9520 3.2683 3.2683 3.7588 3.7588 4.6506 4.6506 5.1543 5.1543 10.2069 10.2069 14.2647 14.2647 16.2015 16.2015 18.4810 18.4810 k = 0.5893 0.0309 0.3499 ( 1716 PWs) bands (ev): -15.4274 -15.4274 -15.3915 -15.3915 0.0873 0.0873 0.7175 0.7175 0.9578 0.9578 1.3134 1.3134 2.0217 2.0217 2.5519 2.5519 2.9456 2.9456 3.3045 3.3045 3.7687 3.7687 4.6361 4.6361 5.1449 5.1449 10.2316 10.2316 14.3260 14.3260 16.1067 16.1067 18.4593 18.4593 k = 0.5929 0.0206 0.3558 ( 1716 PWs) bands (ev): -15.4272 -15.4272 -15.3903 -15.3903 0.0896 0.0896 0.7039 0.7039 0.9592 0.9592 1.3256 1.3256 2.0025 2.0025 2.5471 2.5471 2.9382 2.9382 3.3404 3.3404 3.7751 3.7751 4.6232 4.6232 5.1365 5.1365 10.2559 10.2559 14.3860 14.3860 16.0151 16.0151 18.4380 18.4380 k = 0.5964 0.0103 0.3616 ( 1719 PWs) bands (ev): -15.4275 -15.4275 -15.3887 -15.3887 0.0900 0.0900 0.6930 0.6930 0.9597 0.9597 1.3404 1.3404 1.9834 1.9834 2.5425 2.5425 2.9300 2.9300 3.3752 3.3752 3.7783 3.7783 4.6122 4.6122 5.1293 5.1293 10.2795 10.2795 14.4436 14.4436 15.9283 15.9283 18.4170 18.4170 k = 0.6000-0.0000 0.3674 ( 1719 PWs) bands (ev): -15.4283 -15.4283 -15.3867 -15.3867 0.0883 0.0883 0.6849 0.6849 0.9594 0.9594 1.3574 1.3574 1.9647 1.9647 2.5379 2.5379 2.9212 2.9212 3.4084 3.4084 3.7787 3.7787 4.6035 4.6035 5.1230 5.1230 10.3020 10.3020 14.4973 14.4973 15.8479 15.8479 18.3963 18.3963 k = 0.6036-0.0103 0.3733 ( 1716 PWs) bands (ev): -15.4294 -15.4294 -15.3844 -15.3844 0.0846 0.0846 0.6796 0.6796 0.9585 0.9585 1.3762 1.3762 1.9467 1.9467 2.5331 2.5331 2.9123 2.9123 3.4388 3.4388 3.7773 3.7773 4.5972 4.5972 5.1178 5.1178 10.3234 10.3234 14.5453 14.5453 15.7763 15.7763 18.3759 18.3759 k = 0.6071-0.0206 0.3791 ( 1714 PWs) bands (ev): -15.4310 -15.4310 -15.3818 -15.3818 0.0792 0.0792 0.6769 0.6769 0.9571 0.9571 1.3961 1.3961 1.9298 1.9298 2.5279 2.5279 2.9033 2.9033 3.4651 3.4651 3.7756 3.7756 4.5934 4.5934 5.1134 5.1134 10.3433 10.3433 14.5850 14.5850 15.7160 15.7160 18.3558 18.3558 k = 0.6107-0.0309 0.3849 ( 1712 PWs) bands (ev): -15.4329 -15.4329 -15.3789 -15.3789 0.0721 0.0721 0.6765 0.6765 0.9557 0.9557 1.4165 1.4165 1.9144 1.9144 2.5221 2.5221 2.8946 2.8946 3.4852 3.4852 3.7755 3.7755 4.5920 4.5920 5.1098 5.1098 10.3615 10.3615 14.6137 14.6137 15.6701 15.6701 18.3359 18.3359 k = 0.6143-0.0412 0.3908 ( 1712 PWs) bands (ev): -15.4351 -15.4351 -15.3758 -15.3758 0.0638 0.0638 0.6779 0.6779 0.9543 0.9543 1.4368 1.4368 1.9011 1.9011 2.5156 2.5156 2.8863 2.8863 3.4971 3.4971 3.7795 3.7795 4.5929 4.5929 5.1070 5.1070 10.3776 10.3776 14.6287 14.6287 15.6417 15.6417 18.3163 18.3163 k = 0.6179-0.0515 0.3966 ( 1714 PWs) bands (ev): -15.4377 -15.4377 -15.3724 -15.3724 0.0547 0.0547 0.6806 0.6806 0.9532 0.9532 1.4562 1.4562 1.8907 1.8907 2.5082 2.5082 2.8786 2.8786 3.4991 3.4991 3.7897 3.7897 4.5959 4.5959 5.1049 5.1049 10.3914 10.3914 14.6282 14.6282 15.6326 15.6326 18.2971 18.2971 k = 0.6214-0.0619 0.4024 ( 1710 PWs) bands (ev): -15.4406 -15.4406 -15.3689 -15.3689 0.0450 0.0450 0.6841 0.6841 0.9527 0.9527 1.4738 1.4738 1.8838 1.8838 2.4998 2.4998 2.8718 2.8718 3.4909 3.4909 3.8066 3.8066 4.6008 4.6008 5.1034 5.1034 10.4026 10.4026 14.6124 14.6124 15.6431 15.6431 18.2784 18.2784 k = 0.6250-0.0722 0.4082 ( 1710 PWs) bands (ev): -15.4438 -15.4438 -15.3651 -15.3651 0.0351 0.0351 0.6877 0.6877 0.9528 0.9528 1.4889 1.4889 1.8815 1.8815 2.4904 2.4904 2.8660 2.8660 3.4737 3.4737 3.8294 3.8294 4.6074 4.6074 5.1024 5.1024 10.4108 10.4108 14.5828 14.5828 15.6717 15.6717 18.2603 18.2603 k = 0.6250-0.0722 0.4082 ( 1710 PWs) bands (ev): -15.4438 -15.4438 -15.3651 -15.3651 0.0351 0.0351 0.6877 0.6877 0.9528 0.9528 1.4889 1.4889 1.8815 1.8815 2.4904 2.4904 2.8660 2.8660 3.4737 3.4737 3.8294 3.8294 4.6074 4.6074 5.1024 5.1024 10.4108 10.4108 14.5828 14.5828 15.6717 15.6717 18.2603 18.2603 k = 0.6190-0.0687 0.4180 ( 1712 PWs) bands (ev): -15.4438 -15.4438 -15.3652 -15.3652 0.0359 0.0359 0.6868 0.6868 0.9529 0.9529 1.4872 1.4872 1.8822 1.8822 2.4902 2.4902 2.8676 2.8676 3.4741 3.4741 3.8297 3.8297 4.6053 4.6053 5.1028 5.1028 10.4111 10.4111 14.5847 14.5847 15.6728 15.6728 18.2424 18.2424 k = 0.6131-0.0653 0.4277 ( 1718 PWs) bands (ev): -15.4435 -15.4435 -15.3655 -15.3655 0.0382 0.0382 0.6843 0.6843 0.9533 0.9533 1.4824 1.4824 1.8842 1.8842 2.4896 2.4896 2.8725 2.8725 3.4753 3.4753 3.8309 3.8309 4.5990 4.5990 5.1039 5.1039 10.4121 10.4121 14.5903 14.5903 15.6762 15.6762 18.1922 18.1922 k = 0.6071-0.0619 0.4374 ( 1714 PWs) bands (ev): -15.4430 -15.4430 -15.3658 -15.3658 0.0421 0.0421 0.6802 0.6802 0.9540 0.9540 1.4747 1.4747 1.8874 1.8874 2.4887 2.4887 2.8804 2.8804 3.4773 3.4773 3.8328 3.8328 4.5887 4.5887 5.1058 5.1058 10.4136 10.4136 14.5997 14.5997 15.6818 15.6818 18.1173 18.1173 k = 0.6012-0.0584 0.4471 ( 1718 PWs) bands (ev): -15.4424 -15.4424 -15.3664 -15.3664 0.0475 0.0475 0.6743 0.6743 0.9550 0.9550 1.4647 1.4647 1.8913 1.8913 2.4876 2.4876 2.8911 2.8911 3.4803 3.4803 3.8355 3.8355 4.5744 4.5744 5.1081 5.1081 10.4157 10.4157 14.6126 14.6126 15.6897 15.6897 18.0255 18.0255 k = 0.5952-0.0550 0.4568 ( 1715 PWs) bands (ev): -15.4416 -15.4416 -15.3671 -15.3671 0.0545 0.0545 0.6668 0.6668 0.9563 0.9563 1.4528 1.4528 1.8956 1.8956 2.4864 2.4864 2.9041 2.9041 3.4843 3.4843 3.8389 3.8389 4.5563 4.5563 5.1110 5.1110 10.4184 10.4184 14.6290 14.6290 15.7000 15.7000 17.9224 17.9224 k = 0.5893-0.0515 0.4666 ( 1713 PWs) bands (ev): -15.4405 -15.4405 -15.3680 -15.3680 0.0630 0.0630 0.6576 0.6576 0.9577 0.9577 1.4396 1.4396 1.8999 1.8999 2.4853 2.4853 2.9190 2.9190 3.4895 3.4895 3.8431 3.8431 4.5348 4.5348 5.1141 5.1141 10.4215 10.4215 14.6488 14.6488 15.7126 15.7126 17.8120 17.8120 k = 0.5833-0.0481 0.4763 ( 1713 PWs) bands (ev): -15.4394 -15.4394 -15.3690 -15.3690 0.0729 0.0729 0.6466 0.6466 0.9594 0.9594 1.4258 1.4258 1.9039 1.9039 2.4844 2.4844 2.9354 2.9354 3.4962 3.4962 3.8479 3.8479 4.5100 4.5100 5.1174 5.1174 10.4252 10.4252 14.6717 14.6717 15.7276 15.7276 17.6969 17.6969 k = 0.5774-0.0447 0.4860 ( 1713 PWs) bands (ev): -15.4380 -15.4380 -15.3702 -15.3702 0.0842 0.0842 0.6341 0.6341 0.9612 0.9612 1.4117 1.4117 1.9073 1.9073 2.4837 2.4837 2.9526 2.9526 3.5044 3.5044 3.8535 3.8535 4.4821 4.4821 5.1207 5.1207 10.4292 10.4292 14.6975 14.6975 15.7450 15.7450 17.5788 17.5788 k = 0.5714-0.0412 0.4957 ( 1712 PWs) bands (ev): -15.4364 -15.4364 -15.3715 -15.3715 0.0969 0.0969 0.6199 0.6199 0.9632 0.9632 1.3980 1.3980 1.9099 1.9099 2.4833 2.4833 2.9701 2.9701 3.5146 3.5146 3.8598 3.8598 4.4514 4.4514 5.1240 5.1240 10.4336 10.4336 14.7260 14.7260 15.7650 15.7650 17.4592 17.4592 k = 0.5655-0.0378 0.5055 ( 1710 PWs) bands (ev): -15.4347 -15.4347 -15.3731 -15.3731 0.1109 0.1109 0.6042 0.6042 0.9651 0.9651 1.3849 1.3849 1.9117 1.9117 2.4833 2.4833 2.9875 2.9875 3.5268 3.5268 3.8667 3.8667 4.4181 4.4181 5.1272 5.1272 10.4383 10.4383 14.7568 14.7568 15.7876 15.7876 17.3389 17.3389 k = 0.5595-0.0344 0.5152 ( 1712 PWs) bands (ev): -15.4328 -15.4328 -15.3748 -15.3748 0.1260 0.1260 0.5871 0.5871 0.9670 0.9670 1.3728 1.3728 1.9125 1.9125 2.4835 2.4835 3.0042 3.0042 3.5413 3.5413 3.8742 3.8742 4.3825 4.3825 5.1302 5.1302 10.4432 10.4432 14.7895 14.7895 15.8128 15.8128 17.2189 17.2189 k = 0.5536-0.0309 0.5249 ( 1715 PWs) bands (ev): -15.4307 -15.4307 -15.3766 -15.3766 0.1423 0.1423 0.5687 0.5687 0.9688 0.9688 1.3618 1.3618 1.9126 1.9126 2.4840 2.4840 3.0197 3.0197 3.5582 3.5582 3.8822 3.8822 4.3449 4.3449 5.1329 5.1329 10.4482 10.4482 14.8237 14.8237 15.8407 15.8407 17.0998 17.0998 k = 0.5476-0.0275 0.5346 ( 1721 PWs) bands (ev): -15.4284 -15.4284 -15.3787 -15.3787 0.1595 0.1595 0.5493 0.5493 0.9704 0.9704 1.3523 1.3523 1.9118 1.9118 2.4848 2.4848 3.0338 3.0338 3.5777 3.5777 3.8907 3.8907 4.3056 4.3056 5.1353 5.1353 10.4532 10.4532 14.8589 14.8589 15.8714 15.8714 16.9825 16.9825 k = 0.5417-0.0241 0.5443 ( 1709 PWs) bands (ev): -15.4260 -15.4260 -15.3809 -15.3809 0.1776 0.1776 0.5291 0.5291 0.9719 0.9719 1.3442 1.3442 1.9105 1.9105 2.4858 2.4858 3.0461 3.0461 3.5995 3.5995 3.8995 3.8995 4.2649 4.2649 5.1375 5.1375 10.4581 10.4581 14.8944 14.8944 15.9050 15.9050 16.8677 16.8677 k = 0.5357-0.0206 0.5541 ( 1711 PWs) bands (ev): -15.4234 -15.4234 -15.3833 -15.3833 0.1963 0.1963 0.5085 0.5085 0.9730 0.9730 1.3377 1.3377 1.9086 1.9086 2.4868 2.4868 3.0566 3.0566 3.6237 3.6237 3.9085 3.9085 4.2234 4.2234 5.1393 5.1393 10.4628 10.4628 14.9294 14.9294 15.9415 15.9415 16.7562 16.7562 k = 0.5298-0.0172 0.5638 ( 1713 PWs) bands (ev): -15.4206 -15.4206 -15.3859 -15.3859 0.2152 0.2152 0.4877 0.4877 0.9738 0.9738 1.3325 1.3325 1.9064 1.9064 2.4879 2.4879 3.0651 3.0651 3.6497 3.6497 3.9172 3.9172 4.1817 4.1817 5.1408 5.1408 10.4672 10.4672 14.9631 14.9631 15.9809 15.9809 16.6491 16.6491 k = 0.5238-0.0137 0.5735 ( 1719 PWs) bands (ev): -15.4177 -15.4177 -15.3887 -15.3887 0.2339 0.2339 0.4674 0.4674 0.9743 0.9743 1.3288 1.3288 1.9041 1.9041 2.4889 2.4889 3.0718 3.0718 3.6770 3.6770 3.9251 3.9251 4.1411 4.1411 5.1420 5.1420 10.4711 10.4711 14.9943 14.9943 16.0234 16.0234 16.5476 16.5476 k = 0.5179-0.0103 0.5832 ( 1719 PWs) bands (ev): -15.4147 -15.4147 -15.3916 -15.3916 0.2515 0.2515 0.4485 0.4485 0.9746 0.9746 1.3263 1.3263 1.9018 1.9018 2.4898 2.4898 3.0767 3.0767 3.7046 3.7046 3.9310 3.9310 4.1037 4.1037 5.1429 5.1429 10.4744 10.4744 15.0217 15.0217 16.0688 16.0688 16.4531 16.4531 k = 0.5119-0.0069 0.5929 ( 1715 PWs) bands (ev): -15.4116 -15.4116 -15.3945 -15.3945 0.2669 0.2669 0.4322 0.4322 0.9747 0.9747 1.3247 1.3247 1.9000 1.9000 2.4905 2.4905 3.0799 3.0799 3.7307 3.7307 3.9329 3.9329 4.0731 4.0731 5.1436 5.1436 10.4769 10.4769 15.0436 15.0436 16.1168 16.1168 16.3675 16.3675 k = 0.5060-0.0034 0.6027 ( 1708 PWs) bands (ev): -15.4089 -15.4089 -15.3972 -15.3972 0.2780 0.2780 0.4207 0.4207 0.9746 0.9746 1.3240 1.3240 1.8987 1.8987 2.4910 2.4910 3.0818 3.0818 3.7515 3.7515 3.9297 3.9297 4.0540 4.0540 5.1439 5.1439 10.4786 10.4786 15.0582 15.0582 16.1664 16.1664 16.2940 16.2940 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -15.4075 -15.4075 -15.3985 -15.3985 0.2821 0.2821 0.4164 0.4164 0.9746 0.9746 1.3238 1.3238 1.8982 1.8982 2.4911 2.4911 3.0824 3.0824 3.7604 3.7604 3.9262 3.9262 4.0481 4.0481 5.1441 5.1441 10.4792 10.4792 15.0634 15.0634 16.2022 16.2022 16.2498 16.2498 k = 0.5000-0.0000 0.6124 ( 1708 PWs) bands (ev): -15.4075 -15.4075 -15.3985 -15.3985 0.2821 0.2821 0.4164 0.4164 0.9746 0.9746 1.3238 1.3238 1.8982 1.8982 2.4911 2.4911 3.0824 3.0824 3.7604 3.7604 3.9262 3.9262 4.0481 4.0481 5.1441 5.1441 10.4792 10.4792 15.0634 15.0634 16.2022 16.2022 16.2498 16.2498 k = 0.5000 0.0070 0.6024 ( 1708 PWs) bands (ev): -15.4076 -15.4076 -15.3985 -15.3985 0.2808 0.2808 0.4181 0.4181 0.9750 0.9750 1.3226 1.3226 1.8992 1.8992 2.4913 2.4913 3.0823 3.0823 3.7570 3.7570 3.9196 3.9196 4.0579 4.0579 5.1440 5.1440 10.4780 10.4780 15.0603 15.0603 16.1533 16.1533 16.3063 16.3063 k = 0.5000 0.0141 0.5925 ( 1714 PWs) bands (ev): -15.4077 -15.4077 -15.3986 -15.3986 0.2771 0.2771 0.4232 0.4232 0.9761 0.9761 1.3191 1.3191 1.9023 1.9023 2.4919 2.4919 3.0820 3.0820 3.7467 3.7467 3.9051 3.9051 4.0819 4.0819 5.1437 5.1437 10.4743 10.4743 15.0506 15.0506 16.0950 16.0950 16.3871 16.3871 k = 0.5000 0.0211 0.5825 ( 1722 PWs) bands (ev): -15.4078 -15.4078 -15.3988 -15.3988 0.2713 0.2713 0.4312 0.4312 0.9779 0.9779 1.3134 1.3134 1.9073 1.9073 2.4929 2.4929 3.0815 3.0815 3.7293 3.7293 3.8898 3.8898 4.1132 4.1132 5.1433 5.1433 10.4682 10.4682 15.0340 15.0340 16.0457 16.0457 16.4745 16.4745 k = 0.5000 0.0282 0.5725 ( 1724 PWs) bands (ev): -15.4081 -15.4081 -15.3989 -15.3989 0.2639 0.2639 0.4418 0.4418 0.9803 0.9803 1.3057 1.3057 1.9141 1.9141 2.4944 2.4944 3.0807 3.0807 3.7054 3.7054 3.8769 3.8769 4.1480 4.1480 5.1427 5.1427 10.4598 10.4598 15.0101 15.0101 16.0074 16.0074 16.5665 16.5665 k = 0.5000 0.0352 0.5626 ( 1716 PWs) bands (ev): -15.4084 -15.4084 -15.3991 -15.3991 0.2553 0.2553 0.4546 0.4546 0.9834 0.9834 1.2963 1.2963 1.9225 1.9225 2.4962 2.4962 3.0798 3.0798 3.6764 3.6764 3.8667 3.8667 4.1844 4.1844 5.1421 5.1421 10.4491 10.4491 14.9786 14.9786 15.9811 15.9811 16.6624 16.6624 k = 0.5000 0.0422 0.5526 ( 1714 PWs) bands (ev): -15.4089 -15.4089 -15.3992 -15.3992 0.2457 0.2457 0.4692 0.4692 0.9869 0.9869 1.2854 1.2854 1.9323 1.9323 2.4985 2.4985 3.0785 3.0785 3.6438 3.6438 3.8586 3.8586 4.2218 4.2218 5.1416 5.1416 10.4363 10.4363 14.9397 14.9397 15.9673 15.9673 16.7612 16.7612 k = 0.5000 0.0493 0.5427 ( 1716 PWs) bands (ev): -15.4096 -15.4096 -15.3993 -15.3993 0.2354 0.2354 0.4855 0.4855 0.9909 0.9909 1.2736 1.2736 1.9433 1.9433 2.5012 2.5012 3.0769 3.0769 3.6088 3.6088 3.8517 3.8517 4.2594 4.2594 5.1411 5.1411 10.4215 10.4215 14.8938 14.8938 15.9656 15.9656 16.8626 16.8626 k = 0.5000 0.0563 0.5327 ( 1712 PWs) bands (ev): -15.4104 -15.4104 -15.3993 -15.3993 0.2244 0.2244 0.5034 0.5034 0.9950 0.9950 1.2610 1.2610 1.9553 1.9553 2.5044 2.5044 3.0750 3.0750 3.5723 3.5723 3.8452 3.8452 4.2971 4.2971 5.1408 5.1408 10.4049 10.4049 14.8418 14.8418 15.9754 15.9754 16.9660 16.9660 k = 0.5000 0.0634 0.5228 ( 1712 PWs) bands (ev): -15.4114 -15.4114 -15.3992 -15.3992 0.2130 0.2130 0.5227 0.5227 0.9991 0.9991 1.2483 1.2483 1.9680 1.9680 2.5081 2.5081 3.0726 3.0726 3.5349 3.5349 3.8386 3.8386 4.3345 4.3345 5.1408 5.1408 10.3865 10.3865 14.7848 14.7848 15.9957 15.9957 17.0709 17.0709 k = 0.5000 0.0704 0.5128 ( 1712 PWs) bands (ev): -15.4126 -15.4126 -15.3990 -15.3990 0.2011 0.2011 0.5433 0.5433 1.0030 1.0030 1.2358 1.2358 1.9813 1.9813 2.5122 2.5122 3.0698 3.0698 3.4972 3.4972 3.8317 3.8317 4.3714 4.3714 5.1413 5.1413 10.3667 10.3667 14.7240 14.7240 16.0254 16.0254 17.1769 17.1769 k = 0.5000 0.0774 0.5028 ( 1712 PWs) bands (ev): -15.4139 -15.4139 -15.3988 -15.3988 0.1888 0.1888 0.5650 0.5650 1.0063 1.0063 1.2242 1.2242 1.9951 1.9951 2.5169 2.5169 3.0663 3.0663 3.4593 3.4593 3.8240 3.8240 4.4078 4.4078 5.1424 5.1424 10.3455 10.3455 14.6603 14.6603 16.0634 16.0634 17.2836 17.2836 k = 0.5000 0.0845 0.4929 ( 1712 PWs) bands (ev): -15.4154 -15.4154 -15.3985 -15.3985 0.1763 0.1763 0.5879 0.5879 1.0086 1.0086 1.2140 1.2140 2.0091 2.0091 2.5220 2.5220 3.0622 3.0622 3.4217 3.4217 3.8154 3.8154 4.4433 4.4433 5.1441 5.1441 10.3232 10.3232 14.5947 14.5947 16.1087 16.1087 17.3905 17.3905 k = 0.5000 0.0915 0.4829 ( 1714 PWs) bands (ev): -15.4170 -15.4170 -15.3981 -15.3981 0.1635 0.1635 0.6117 0.6117 1.0094 1.0094 1.2059 1.2059 2.0234 2.0234 2.5277 2.5277 3.0574 3.0574 3.3845 3.3845 3.8056 3.8056 4.4778 4.4778 5.1468 5.1468 10.2999 10.2999 14.5280 14.5280 16.1602 16.1602 17.4973 17.4973 k = 0.5000 0.0986 0.4730 ( 1714 PWs) bands (ev): -15.4188 -15.4188 -15.3977 -15.3977 0.1505 0.1505 0.6362 0.6362 1.0085 1.0085 1.2006 1.2006 2.0379 2.0379 2.5339 2.5339 3.0516 3.0516 3.3480 3.3480 3.7945 3.7945 4.5113 4.5113 5.1504 5.1504 10.2758 10.2758 14.4607 14.4607 16.2173 16.2173 17.6034 17.6034 k = 0.5000 0.1056 0.4630 ( 1716 PWs) bands (ev): -15.4206 -15.4206 -15.3972 -15.3972 0.1374 0.1374 0.6613 0.6613 1.0055 1.0055 1.1984 1.1984 2.0524 2.0524 2.5406 2.5406 3.0447 3.0447 3.3125 3.3125 3.7818 3.7818 4.5436 4.5436 5.1551 5.1551 10.2512 10.2512 14.3934 14.3934 16.2792 16.2792 17.7083 17.7083 k = 0.5000 0.1127 0.4531 ( 1714 PWs) bands (ev): -15.4225 -15.4225 -15.3967 -15.3967 0.1242 0.1242 0.6867 0.6867 1.0004 1.0004 1.1996 1.1996 2.0670 2.0670 2.5479 2.5479 3.0364 3.0364 3.2782 3.2782 3.7675 3.7675 4.5746 4.5746 5.1610 5.1610 10.2261 10.2261 14.3266 14.3266 16.3452 16.3452 17.8116 17.8116 k = 0.5000 0.1197 0.4431 ( 1716 PWs) bands (ev): -15.4245 -15.4245 -15.3961 -15.3961 0.1109 0.1109 0.7120 0.7120 0.9937 0.9937 1.2043 1.2043 2.0815 2.0815 2.5558 2.5558 3.0266 3.0266 3.2455 3.2455 3.7514 3.7514 4.6042 4.6042 5.1683 5.1683 10.2009 10.2009 14.2605 14.2605 16.4146 16.4146 17.9126 17.9126 k = 0.5000 0.1267 0.4331 ( 1718 PWs) bands (ev): -15.4266 -15.4266 -15.3956 -15.3956 0.0977 0.0977 0.7368 0.7368 0.9859 0.9859 1.2121 1.2121 2.0960 2.0960 2.5642 2.5642 3.0148 3.0148 3.2147 3.2147 3.7334 3.7334 4.6323 4.6323 5.1769 5.1769 10.1755 10.1755 14.1955 14.1955 16.4868 16.4868 18.0109 18.0109 k = 0.5000 0.1338 0.4232 ( 1718 PWs) bands (ev): -15.4287 -15.4287 -15.3950 -15.3950 0.0846 0.0846 0.7605 0.7605 0.9778 0.9778 1.2229 1.2229 2.1106 2.1106 2.5732 2.5732 3.0008 3.0008 3.1863 3.1863 3.7135 3.7135 4.6588 4.6588 5.1868 5.1868 10.1502 10.1502 14.1319 14.1319 16.5612 16.5612 18.1058 18.1058 k = 0.5000 0.1408 0.4132 ( 1712 PWs) bands (ev): -15.4308 -15.4308 -15.3944 -15.3944 0.0716 0.0716 0.7823 0.7823 0.9706 0.9706 1.2363 1.2363 2.1251 2.1251 2.5828 2.5828 2.9843 2.9843 3.1606 3.1606 3.6916 3.6916 4.6838 4.6838 5.1982 5.1982 10.1252 10.1252 14.0698 14.0698 16.6372 16.6372 18.1970 18.1970 k = 0.5000 0.1479 0.4033 ( 1716 PWs) bands (ev): -15.4329 -15.4329 -15.3938 -15.3938 0.0587 0.0587 0.8011 0.8011 0.9653 0.9653 1.2520 1.2520 2.1396 2.1396 2.5929 2.5929 2.9652 2.9652 3.1377 3.1377 3.6678 3.6678 4.7072 4.7072 5.2107 5.2107 10.1006 10.1006 14.0094 14.0094 16.7142 16.7142 18.2839 18.2839 k = 0.5000 0.1549 0.3933 ( 1716 PWs) bands (ev): -15.4350 -15.4350 -15.3931 -15.3931 0.0461 0.0461 0.8155 0.8155 0.9634 0.9634 1.2700 1.2700 2.1542 2.1542 2.6036 2.6036 2.9436 2.9436 3.1175 3.1175 3.6419 3.6419 4.7290 4.7290 5.2244 5.2244 10.0765 10.0765 13.9510 13.9510 16.7915 16.7915 18.3662 18.3662 k = 0.5000 0.1619 0.3834 ( 1716 PWs) bands (ev): -15.4371 -15.4371 -15.3925 -15.3925 0.0338 0.0338 0.8243 0.8243 0.9661 0.9661 1.2900 1.2900 2.1688 2.1688 2.6148 2.6148 2.9200 2.9200 3.0998 3.0998 3.6141 3.6141 4.7493 4.7493 5.2391 5.2391 10.0530 10.0530 13.8946 13.8946 16.8686 16.8686 18.4439 18.4439 k = 0.5000 0.1690 0.3734 ( 1714 PWs) bands (ev): -15.4392 -15.4392 -15.3919 -15.3919 0.0219 0.0219 0.8275 0.8275 0.9736 0.9736 1.3120 1.3120 2.1835 2.1835 2.6266 2.6266 2.8949 2.8949 3.0840 3.0840 3.5844 3.5844 4.7682 4.7682 5.2546 5.2546 10.0302 10.0302 13.8405 13.8405 16.9447 16.9447 18.5167 18.5167 k = 0.5000 0.1760 0.3634 ( 1718 PWs) bands (ev): -15.4412 -15.4412 -15.3913 -15.3913 0.0103 0.0103 0.8258 0.8258 0.9848 0.9848 1.3356 1.3356 2.1984 2.1984 2.6389 2.6389 2.8688 2.8688 3.0697 3.0697 3.5530 3.5530 4.7856 4.7856 5.2707 5.2707 10.0084 10.0084 13.7887 13.7887 17.0191 17.0191 18.5850 18.5850 k = 0.5000 0.1831 0.3535 ( 1718 PWs) bands (ev): -15.4432 -15.4432 -15.3907 -15.3907 -0.0008 -0.0008 0.8209 0.8209 0.9982 0.9982 1.3608 1.3608 2.2135 2.2135 2.6517 2.6517 2.8423 2.8423 3.0566 3.0566 3.5199 3.5199 4.8018 4.8018 5.2871 5.2871 9.9874 9.9874 13.7393 13.7393 17.0914 17.0914 18.6490 18.6490 k = 0.5000 0.1901 0.3435 ( 1718 PWs) bands (ev): -15.4451 -15.4451 -15.3902 -15.3902 -0.0115 -0.0115 0.8141 0.8141 1.0125 1.0125 1.3872 1.3872 2.2288 2.2288 2.6651 2.6651 2.8158 2.8158 3.0443 3.0443 3.4854 3.4854 4.8167 4.8167 5.3037 5.3037 9.9675 9.9675 13.6925 13.6925 17.1607 17.1607 18.7092 18.7092 k = 0.5000 0.1971 0.3336 ( 1718 PWs) bands (ev): -15.4470 -15.4470 -15.3896 -15.3896 -0.0216 -0.0216 0.8063 0.8063 1.0269 1.0269 1.4145 1.4145 2.2443 2.2443 2.6789 2.6789 2.7898 2.7898 3.0325 3.0325 3.4495 3.4495 4.8304 4.8304 5.3202 5.3202 9.9487 9.9487 13.6485 13.6485 17.2264 17.2264 18.7660 18.7660 k = 0.5000 0.2042 0.3236 ( 1718 PWs) bands (ev): -15.4487 -15.4487 -15.3891 -15.3891 -0.0312 -0.0312 0.7981 0.7981 1.0407 1.0407 1.4423 1.4423 2.2602 2.2602 2.6930 2.6930 2.7646 2.7646 3.0213 3.0213 3.4125 3.4125 4.8430 4.8430 5.3364 5.3364 9.9310 9.9310 13.6072 13.6072 17.2881 17.2881 18.8199 18.8199 k = 0.5000 0.2112 0.3137 ( 1718 PWs) bands (ev): -15.4504 -15.4504 -15.3886 -15.3886 -0.0402 -0.0402 0.7899 0.7899 1.0537 1.0537 1.4703 1.4703 2.2763 2.2763 2.7063 2.7063 2.7416 2.7416 3.0104 3.0104 3.3746 3.3746 4.8545 4.8545 5.3521 5.3521 9.9146 9.9146 13.5689 13.5689 17.3453 17.3453 18.8713 18.8713 k = 0.5000 0.2183 0.3037 ( 1722 PWs) bands (ev): -15.4519 -15.4519 -15.3881 -15.3881 -0.0485 -0.0485 0.7820 0.7820 1.0657 1.0657 1.4980 1.4980 2.2926 2.2926 2.7076 2.7076 2.7322 2.7322 2.9999 2.9999 3.3361 3.3361 4.8650 4.8650 5.3670 5.3670 9.8994 9.8994 13.5335 13.5335 17.3975 17.3975 18.9203 18.9203 k = 0.5000 0.2253 0.2937 ( 1722 PWs) bands (ev): -15.4533 -15.4533 -15.3877 -15.3877 -0.0561 -0.0561 0.7746 0.7746 1.0765 1.0765 1.5248 1.5248 2.3091 2.3091 2.6889 2.6889 2.7446 2.7446 2.9898 2.9898 3.2973 3.2973 4.8745 4.8745 5.3811 5.3811 9.8856 9.8856 13.5012 13.5012 17.4446 17.4446 18.9670 18.9670 k = 0.5000 0.2323 0.2838 ( 1718 PWs) bands (ev): -15.4546 -15.4546 -15.3873 -15.3873 -0.0630 -0.0630 0.7677 0.7677 1.0862 1.0862 1.5505 1.5505 2.3257 2.3257 2.6682 2.6682 2.7610 2.7610 2.9802 2.9802 3.2583 3.2583 4.8829 4.8829 5.3941 5.3941 9.8731 9.8731 13.4721 13.4721 17.4863 17.4863 19.0112 19.0112 k = 0.5000 0.2394 0.2738 ( 1718 PWs) bands (ev): -15.4558 -15.4558 -15.3870 -15.3870 -0.0692 -0.0692 0.7616 0.7616 1.0948 1.0948 1.5745 1.5745 2.3421 2.3421 2.6484 2.6484 2.7787 2.7787 2.9712 2.9712 3.2197 3.2197 4.8904 4.8904 5.4059 5.4059 9.8620 9.8620 13.4462 13.4462 17.5227 17.5227 19.0525 19.0525 k = 0.5000 0.2464 0.2639 ( 1716 PWs) bands (ev): -15.4568 -15.4568 -15.3866 -15.3866 -0.0746 -0.0746 0.7561 0.7561 1.1022 1.1022 1.5963 1.5963 2.3582 2.3582 2.6300 2.6300 2.7974 2.7974 2.9630 2.9630 3.1817 3.1817 4.8969 4.8969 5.4164 5.4164 9.8524 9.8524 13.4236 13.4236 17.5537 17.5537 19.0905 19.0905 k = 0.5000 0.2535 0.2539 ( 1710 PWs) bands (ev): -15.4577 -15.4577 -15.3864 -15.3864 -0.0792 -0.0792 0.7514 0.7514 1.1085 1.1085 1.6156 1.6156 2.3735 2.3735 2.6132 2.6132 2.8167 2.8167 2.9558 2.9558 3.1448 3.1448 4.9024 4.9024 5.4255 5.4255 9.8442 9.8442 13.4044 13.4044 17.5796 17.5796 19.1244 19.1244 k = 0.5000 0.2605 0.2440 ( 1706 PWs) bands (ev): -15.4584 -15.4584 -15.3861 -15.3861 -0.0830 -0.0830 0.7476 0.7476 1.1136 1.1136 1.6319 1.6319 2.3876 2.3876 2.5985 2.5985 2.8366 2.8366 2.9498 2.9498 3.1096 3.1096 4.9069 4.9069 5.4330 5.4330 9.8374 9.8374 13.3886 13.3886 17.6004 17.6004 19.1534 19.1534 k = 0.5000 0.2676 0.2340 ( 1706 PWs) bands (ev): -15.4590 -15.4590 -15.3860 -15.3860 -0.0860 -0.0860 0.7445 0.7445 1.1176 1.1176 1.6450 1.6450 2.4000 2.4000 2.5860 2.5860 2.8564 2.8564 2.9454 2.9454 3.0768 3.0768 4.9104 4.9104 5.4390 5.4390 9.8322 9.8322 13.3763 13.3763 17.6164 17.6164 19.1770 19.1770 k = 0.5000 0.2746 0.2240 ( 1706 PWs) bands (ev): -15.4594 -15.4594 -15.3859 -15.3859 -0.0881 -0.0881 0.7424 0.7424 1.1204 1.1204 1.6545 1.6545 2.4098 2.4098 2.5764 2.5764 2.8745 2.8745 2.9433 2.9433 3.0479 3.0479 4.9129 4.9129 5.4433 5.4433 9.8284 9.8284 13.3675 13.3675 17.6276 17.6276 19.1943 19.1943 k = 0.5000 0.2816 0.2141 ( 1708 PWs) bands (ev): -15.4596 -15.4596 -15.3858 -15.3858 -0.0894 -0.0894 0.7411 0.7411 1.1221 1.1221 1.6604 1.6604 2.4162 2.4162 2.5702 2.5702 2.8881 2.8881 2.9439 2.9439 3.0258 3.0258 4.9144 4.9144 5.4459 5.4459 9.8262 9.8262 13.3622 13.3622 17.6344 17.6344 19.2050 19.2050 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -15.4597 -15.4597 -15.3858 -15.3858 -0.0898 -0.0898 0.7406 0.7406 1.1226 1.1226 1.6623 1.6623 2.4184 2.4184 2.5680 2.5680 2.8932 2.8932 2.9450 2.9450 3.0169 3.0169 4.9149 4.9149 5.4467 5.4467 9.8254 9.8254 13.3604 13.3604 17.6366 17.6366 19.2085 19.2085 k = 0.5000 0.2887 0.2041 ( 1718 PWs) bands (ev): -15.4597 -15.4597 -15.3858 -15.3858 -0.0898 -0.0898 0.7406 0.7406 1.1226 1.1226 1.6623 1.6623 2.4184 2.4184 2.5680 2.5680 2.8932 2.8932 2.9450 2.9450 3.0169 3.0169 4.9149 4.9149 5.4467 5.4467 9.8254 9.8254 13.3604 13.3604 17.6366 17.6366 19.2085 19.2085 k = 0.4964 0.2866 0.2158 ( 1706 PWs) bands (ev): -15.4596 -15.4596 -15.3858 -15.3858 -0.0894 -0.0894 0.7411 0.7411 1.1221 1.1221 1.6603 1.6603 2.4161 2.4161 2.5703 2.5703 2.8880 2.8880 2.9439 2.9439 3.0261 3.0261 4.9144 4.9144 5.4458 5.4458 9.8262 9.8262 13.3622 13.3622 17.6343 17.6343 19.2048 19.2048 k = 0.4929 0.2846 0.2275 ( 1706 PWs) bands (ev): -15.4594 -15.4594 -15.3859 -15.3859 -0.0881 -0.0881 0.7424 0.7424 1.1203 1.1203 1.6543 1.6543 2.4095 2.4095 2.5766 2.5766 2.8741 2.8741 2.9434 2.9434 3.0486 3.0486 4.9129 4.9129 5.4432 5.4432 9.8285 9.8285 13.3677 13.3677 17.6274 17.6274 19.1939 19.1939 k = 0.4893 0.2825 0.2391 ( 1706 PWs) bands (ev): -15.4589 -15.4589 -15.3860 -15.3860 -0.0859 -0.0859 0.7447 0.7447 1.1174 1.1174 1.6445 1.6445 2.3995 2.3995 2.5865 2.5865 2.8556 2.8556 2.9455 2.9455 3.0782 3.0782 4.9103 4.9103 5.4388 5.4388 9.8324 9.8324 13.3768 13.3768 17.6158 17.6158 19.1761 19.1761 k = 0.4857 0.2804 0.2508 ( 1706 PWs) bands (ev): -15.4584 -15.4584 -15.3862 -15.3862 -0.0828 -0.0828 0.7478 0.7478 1.1133 1.1133 1.6311 1.6311 2.3869 2.3869 2.5992 2.5992 2.8357 2.8357 2.9498 2.9498 3.1116 3.1116 4.9067 4.9067 5.4327 5.4327 9.8378 9.8378 13.3895 13.3895 17.5993 17.5993 19.1520 19.1520 k = 0.4821 0.2784 0.2624 ( 1709 PWs) bands (ev): -15.4576 -15.4576 -15.3864 -15.3864 -0.0789 -0.0789 0.7518 0.7518 1.1081 1.1081 1.6143 1.6143 2.3724 2.3724 2.6140 2.6140 2.8161 2.8161 2.9555 2.9555 3.1476 3.1476 4.9020 4.9020 5.4249 5.4249 9.8447 9.8447 13.4057 13.4057 17.5778 17.5778 19.1223 19.1223 k = 0.4786 0.2763 0.2741 ( 1715 PWs) bands (ev): -15.4567 -15.4567 -15.3867 -15.3867 -0.0742 -0.0742 0.7566 0.7566 1.1016 1.1016 1.5946 1.5946 2.3568 2.3568 2.6304 2.6304 2.7977 2.7977 2.9622 2.9622 3.1853 3.1853 4.8964 4.8964 5.4156 5.4156 9.8532 9.8532 13.4255 13.4255 17.5510 17.5510 19.0880 19.0880 k = 0.4750 0.2742 0.2858 ( 1719 PWs) bands (ev): -15.4557 -15.4557 -15.3870 -15.3870 -0.0686 -0.0686 0.7622 0.7622 1.0939 1.0939 1.5724 1.5724 2.3405 2.3405 2.6475 2.6475 2.7814 2.7814 2.9695 2.9695 3.2242 3.2242 4.8897 4.8897 5.4048 5.4048 9.8631 9.8631 13.4487 13.4487 17.5187 17.5187 19.0500 19.0500 k = 0.4714 0.2722 0.2974 ( 1722 PWs) bands (ev): -15.4545 -15.4545 -15.3874 -15.3874 -0.0623 -0.0623 0.7685 0.7685 1.0850 1.0850 1.5482 1.5482 2.3237 2.3237 2.6636 2.6636 2.7687 2.7687 2.9772 2.9772 3.2639 3.2639 4.8820 4.8820 5.3927 5.3927 9.8745 9.8745 13.4753 13.4753 17.4807 17.4807 19.0095 19.0095 k = 0.4679 0.2701 0.3091 ( 1722 PWs) bands (ev): -15.4532 -15.4532 -15.3878 -15.3878 -0.0552 -0.0552 0.7755 0.7755 1.0748 1.0748 1.5226 1.5226 2.3068 2.3068 2.6755 2.6755 2.7628 2.7628 2.9849 2.9849 3.3039 3.3039 4.8734 4.8734 5.3793 5.3793 9.8873 9.8873 13.5052 13.5052 17.4366 17.4366 18.9674 18.9674 k = 0.4643 0.2681 0.3208 ( 1726 PWs) bands (ev): -15.4517 -15.4517 -15.3882 -15.3882 -0.0475 -0.0475 0.7831 0.7831 1.0633 1.0633 1.4960 1.4960 2.2898 2.2898 2.6790 2.6790 2.7675 2.7675 2.9925 2.9925 3.3439 3.3439 4.8637 4.8637 5.3649 5.3649 9.9015 9.9015 13.5383 13.5383 17.3865 17.3865 18.9247 18.9247 k = 0.4607 0.2660 0.3324 ( 1721 PWs) bands (ev): -15.4501 -15.4501 -15.3887 -15.3887 -0.0390 -0.0390 0.7912 0.7912 1.0505 1.0505 1.4692 1.4692 2.2728 2.2728 2.6741 2.6741 2.7829 2.7829 3.0001 3.0001 3.3836 3.3836 4.8531 4.8531 5.3496 5.3496 9.9171 9.9171 13.5746 13.5746 17.3301 17.3302 18.8823 18.8823 k = 0.4571 0.2639 0.3441 ( 1717 PWs) bands (ev): -15.4485 -15.4485 -15.3891 -15.3891 -0.0300 -0.0300 0.7996 0.7996 1.0365 1.0365 1.4428 1.4428 2.2559 2.2559 2.6646 2.6646 2.8047 2.8047 3.0076 3.0076 3.4228 3.4228 4.8415 4.8415 5.3335 5.3335 9.9339 9.9339 13.6139 13.6139 17.2677 17.2677 18.8407 18.8407 k = 0.4536 0.2619 0.3558 ( 1715 PWs) bands (ev): -15.4467 -15.4467 -15.3897 -15.3897 -0.0205 -0.0205 0.8080 0.8080 1.0213 1.0213 1.4172 1.4172 2.2390 2.2390 2.6533 2.6533 2.8297 2.8297 3.0150 3.0150 3.4612 3.4612 4.8289 4.8289 5.3170 5.3170 9.9520 9.9520 13.6561 13.6561 17.1994 17.1994 18.8007 18.8007 k = 0.4500 0.2598 0.3674 ( 1719 PWs) bands (ev): -15.4448 -15.4448 -15.3902 -15.3902 -0.0105 -0.0105 0.8160 0.8160 1.0052 1.0052 1.3931 1.3931 2.2220 2.2220 2.6416 2.6416 2.8561 2.8561 3.0229 3.0229 3.4984 3.4984 4.8154 4.8154 5.3001 5.3001 9.9713 9.9713 13.7011 13.7011 17.1254 17.1254 18.7625 18.7625 k = 0.4464 0.2577 0.3791 ( 1714 PWs) bands (ev): -15.4429 -15.4429 -15.3907 -15.3907 -0.0001 -0.0001 0.8231 0.8231 0.9888 0.9888 1.3709 1.3709 2.2049 2.2049 2.6301 2.6301 2.8824 2.8824 3.0318 3.0318 3.5344 3.5344 4.8010 4.8010 5.2831 5.2831 9.9917 9.9917 13.7488 13.7488 17.0462 17.0462 18.7263 18.7263 k = 0.4429 0.2557 0.3908 ( 1715 PWs) bands (ev): -15.4410 -15.4410 -15.3913 -15.3913 0.0104 0.0104 0.8283 0.8283 0.9731 0.9731 1.3511 1.3511 2.1878 2.1878 2.6192 2.6192 2.9069 2.9069 3.0427 3.0427 3.5687 3.5687 4.7858 4.7858 5.2661 5.2661 10.0131 10.0131 13.7990 13.7990 16.9623 16.9623 18.6923 18.6923 k = 0.4393 0.2536 0.4024 ( 1717 PWs) bands (ev): -15.4390 -15.4390 -15.3918 -15.3918 0.0211 0.0211 0.8302 0.8302 0.9593 0.9593 1.3340 1.3340 2.1704 2.1704 2.6088 2.6088 2.9280 2.9280 3.0572 3.0572 3.6013 3.6013 4.7697 4.7697 5.2495 5.2495 10.0354 10.0354 13.8514 13.8514 16.8743 16.8743 18.6604 18.6604 k = 0.4357 0.2516 0.4141 ( 1717 PWs) bands (ev): -15.4370 -15.4370 -15.3923 -15.3923 0.0317 0.0317 0.8273 0.8273 0.9492 0.9492 1.3198 1.3198 2.1527 2.1527 2.5993 2.5993 2.9441 2.9441 3.0766 3.0766 3.6318 3.6318 4.7530 4.7530 5.2333 5.2333 10.0586 10.0586 13.9061 13.9061 16.7829 16.7829 18.6304 18.6304 k = 0.4321 0.2495 0.4257 ( 1715 PWs) bands (ev): -15.4351 -15.4351 -15.3927 -15.3927 0.0421 0.0421 0.8188 0.8188 0.9440 0.9440 1.3088 1.3088 2.1348 2.1348 2.5904 2.5904 2.9545 2.9545 3.1012 3.1012 3.6601 3.6601 4.7358 4.7358 5.2178 5.2178 10.0824 10.0824 13.9627 13.9627 16.6886 16.6886 18.6023 18.6023 k = 0.4286 0.2474 0.4374 ( 1712 PWs) bands (ev): -15.4333 -15.4333 -15.3930 -15.3930 0.0521 0.0521 0.8051 0.8051 0.9431 0.9431 1.3010 1.3010 2.1167 2.1167 2.5824 2.5824 2.9600 2.9600 3.1302 3.1302 3.6858 3.6858 4.7183 4.7183 5.2031 5.2031 10.1068 10.1068 14.0209 14.0209 16.5923 16.5923 18.5757 18.5757 k = 0.4250 0.2454 0.4491 ( 1712 PWs) bands (ev): -15.4316 -15.4316 -15.3932 -15.3932 0.0615 0.0615 0.7882 0.7882 0.9451 0.9451 1.2967 1.2967 2.0981 2.0981 2.5751 2.5751 2.9617 2.9617 3.1624 3.1624 3.7087 3.7087 4.7007 4.7007 5.1893 5.1893 10.1316 10.1316 14.0807 14.0807 16.4946 16.4946 18.5505 18.5505 k = 0.4214 0.2433 0.4607 ( 1712 PWs) bands (ev): -15.4301 -15.4301 -15.3932 -15.3932 0.0699 0.0699 0.7696 0.7696 0.9485 0.9485 1.2958 1.2958 2.0794 2.0794 2.5684 2.5684 2.9605 2.9605 3.1967 3.1967 3.7287 3.7287 4.6834 4.6834 5.1765 5.1765 10.1566 10.1566 14.1415 14.1415 16.3964 16.3964 18.5265 18.5265 k = 0.4179 0.2412 0.4724 ( 1708 PWs) bands (ev): -15.4288 -15.4288 -15.3929 -15.3929 0.0772 0.0772 0.7510 0.7510 0.9522 0.9522 1.2983 1.2983 2.0603 2.0603 2.5624 2.5624 2.9571 2.9571 3.2322 3.2322 3.7455 3.7455 4.6665 4.6665 5.1649 5.1649 10.1818 10.1818 14.2030 14.2030 16.2984 16.2984 18.5034 18.5034 k = 0.4143 0.2392 0.4841 ( 1712 PWs) bands (ev): -15.4279 -15.4279 -15.3924 -15.3924 0.0831 0.0831 0.7334 0.7334 0.9554 0.9554 1.3043 1.3043 2.0411 2.0411 2.5570 2.5570 2.9520 2.9520 3.2683 3.2683 3.7588 3.7588 4.6506 4.6506 5.1543 5.1543 10.2069 10.2069 14.2647 14.2647 16.2015 16.2015 18.4810 18.4810 k = 0.4107 0.2371 0.4957 ( 1716 PWs) bands (ev): -15.4274 -15.4274 -15.3915 -15.3915 0.0873 0.0873 0.7175 0.7175 0.9578 0.9578 1.3134 1.3134 2.0217 2.0217 2.5519 2.5519 2.9456 2.9456 3.3045 3.3045 3.7687 3.7687 4.6361 4.6361 5.1449 5.1449 10.2316 10.2316 14.3260 14.3260 16.1067 16.1067 18.4593 18.4593 k = 0.4071 0.2351 0.5074 ( 1716 PWs) bands (ev): -15.4272 -15.4272 -15.3903 -15.3903 0.0896 0.0896 0.7039 0.7039 0.9592 0.9592 1.3256 1.3256 2.0025 2.0025 2.5471 2.5471 2.9382 2.9382 3.3404 3.3404 3.7751 3.7751 4.6232 4.6232 5.1365 5.1365 10.2559 10.2559 14.3860 14.3860 16.0151 16.0151 18.4380 18.4380 k = 0.4036 0.2330 0.5191 ( 1719 PWs) bands (ev): -15.4275 -15.4275 -15.3887 -15.3887 0.0900 0.0900 0.6930 0.6930 0.9597 0.9597 1.3404 1.3404 1.9834 1.9834 2.5425 2.5425 2.9300 2.9300 3.3752 3.3752 3.7783 3.7783 4.6122 4.6122 5.1293 5.1293 10.2795 10.2795 14.4436 14.4436 15.9283 15.9283 18.4170 18.4170 k = 0.4000 0.2309 0.5307 ( 1719 PWs) bands (ev): -15.4283 -15.4283 -15.3867 -15.3867 0.0883 0.0883 0.6849 0.6849 0.9594 0.9594 1.3574 1.3574 1.9647 1.9647 2.5379 2.5379 2.9212 2.9212 3.4084 3.4084 3.7787 3.7787 4.6035 4.6035 5.1230 5.1230 10.3020 10.3020 14.4973 14.4973 15.8479 15.8479 18.3963 18.3963 k = 0.3964 0.2289 0.5424 ( 1716 PWs) bands (ev): -15.4294 -15.4294 -15.3844 -15.3844 0.0846 0.0846 0.6796 0.6796 0.9585 0.9585 1.3762 1.3762 1.9467 1.9467 2.5331 2.5331 2.9123 2.9123 3.4388 3.4388 3.7773 3.7773 4.5972 4.5972 5.1178 5.1178 10.3234 10.3234 14.5453 14.5453 15.7763 15.7763 18.3759 18.3759 k = 0.3929 0.2268 0.5541 ( 1714 PWs) bands (ev): -15.4310 -15.4310 -15.3818 -15.3818 0.0792 0.0792 0.6769 0.6769 0.9571 0.9571 1.3961 1.3961 1.9298 1.9298 2.5279 2.5279 2.9033 2.9033 3.4651 3.4651 3.7756 3.7756 4.5934 4.5934 5.1134 5.1134 10.3433 10.3433 14.5850 14.5850 15.7160 15.7160 18.3558 18.3558 k = 0.3893 0.2248 0.5657 ( 1712 PWs) bands (ev): -15.4329 -15.4329 -15.3789 -15.3789 0.0721 0.0721 0.6765 0.6765 0.9557 0.9557 1.4165 1.4165 1.9144 1.9144 2.5221 2.5221 2.8946 2.8946 3.4852 3.4852 3.7755 3.7755 4.5920 4.5920 5.1098 5.1098 10.3615 10.3615 14.6137 14.6137 15.6701 15.6701 18.3359 18.3359 k = 0.3857 0.2227 0.5774 ( 1712 PWs) bands (ev): -15.4351 -15.4351 -15.3758 -15.3758 0.0638 0.0638 0.6779 0.6779 0.9543 0.9543 1.4368 1.4368 1.9011 1.9011 2.5156 2.5156 2.8863 2.8863 3.4971 3.4971 3.7795 3.7795 4.5929 4.5929 5.1070 5.1070 10.3776 10.3776 14.6287 14.6287 15.6417 15.6417 18.3163 18.3163 k = 0.3821 0.2206 0.5890 ( 1714 PWs) bands (ev): -15.4377 -15.4377 -15.3724 -15.3724 0.0547 0.0547 0.6806 0.6806 0.9532 0.9532 1.4562 1.4562 1.8907 1.8907 2.5082 2.5082 2.8786 2.8786 3.4991 3.4991 3.7897 3.7897 4.5959 4.5959 5.1049 5.1049 10.3914 10.3914 14.6282 14.6282 15.6326 15.6326 18.2971 18.2971 k = 0.3786 0.2186 0.6007 ( 1710 PWs) bands (ev): -15.4406 -15.4406 -15.3689 -15.3689 0.0450 0.0450 0.6841 0.6841 0.9527 0.9527 1.4738 1.4738 1.8838 1.8838 2.4998 2.4998 2.8718 2.8718 3.4909 3.4909 3.8066 3.8066 4.6008 4.6008 5.1034 5.1034 10.4026 10.4026 14.6124 14.6124 15.6431 15.6431 18.2784 18.2784 k = 0.3750 0.2165 0.6124 ( 1710 PWs) bands (ev): -15.4438 -15.4438 -15.3651 -15.3651 0.0351 0.0351 0.6877 0.6877 0.9528 0.9528 1.4889 1.4889 1.8815 1.8815 2.4904 2.4904 2.8660 2.8660 3.4737 3.4737 3.8294 3.8294 4.6074 4.6074 5.1024 5.1024 10.4108 10.4108 14.5828 14.5828 15.6717 15.6717 18.2603 18.2603 k = 0.6250-0.0722 0.4082 ( 1710 PWs) bands (ev): -15.4438 -15.4438 -15.3651 -15.3651 0.0351 0.0351 0.6877 0.6877 0.9528 0.9528 1.4889 1.4889 1.8815 1.8815 2.4904 2.4904 2.8660 2.8660 3.4737 3.4737 3.8294 3.8294 4.6074 4.6074 5.1024 5.1024 10.4108 10.4108 14.5828 14.5828 15.6717 15.6717 18.2603 18.2603 k = 0.6190-0.0825 0.4082 ( 1710 PWs) bands (ev): -15.4493 -15.4493 -15.3589 -15.3589 0.0181 0.0181 0.6945 0.6945 0.9532 0.9532 1.5119 1.5119 1.8819 1.8819 2.4732 2.4732 2.8578 2.8578 3.4383 3.4383 3.8701 3.8701 4.6209 4.6209 5.1014 5.1014 10.4212 10.4212 14.5217 14.5217 15.7362 15.7362 18.2303 18.2303 k = 0.6131-0.0928 0.4082 ( 1704 PWs) bands (ev): -15.4546 -15.4546 -15.3529 -15.3529 0.0002 0.0002 0.7031 0.7031 0.9531 0.9531 1.5357 1.5357 1.8830 1.8830 2.4550 2.4550 2.8509 2.8509 3.4022 3.4022 3.9078 3.9078 4.6368 4.6368 5.1008 5.1008 10.4299 10.4299 14.4577 14.4577 15.8062 15.8062 18.1998 18.1998 k = 0.6071-0.1031 0.4082 ( 1712 PWs) bands (ev): -15.4596 -15.4596 -15.3473 -15.3473 -0.0183 -0.0183 0.7132 0.7132 0.9525 0.9525 1.5603 1.5603 1.8847 1.8847 2.4359 2.4359 2.8452 2.8452 3.3658 3.3658 3.9419 3.9419 4.6550 4.6550 5.1007 5.1007 10.4371 10.4371 14.3922 14.3922 15.8800 15.8800 18.1689 18.1689 k = 0.6012-0.1134 0.4082 ( 1712 PWs) bands (ev): -15.4644 -15.4644 -15.3420 -15.3420 -0.0370 -0.0370 0.7244 0.7244 0.9515 0.9515 1.5856 1.5856 1.8871 1.8871 2.4160 2.4160 2.8406 2.8406 3.3291 3.3291 3.9723 3.9723 4.6754 4.6754 5.1011 5.1011 10.4430 10.4430 14.3265 14.3265 15.9563 15.9563 18.1376 18.1376 k = 0.5952-0.1237 0.4082 ( 1708 PWs) bands (ev): -15.4689 -15.4689 -15.3370 -15.3370 -0.0557 -0.0557 0.7365 0.7365 0.9502 0.9502 1.6114 1.6114 1.8903 1.8903 2.3956 2.3956 2.8369 2.8369 3.2925 3.2925 3.9991 3.9991 4.6977 4.6977 5.1021 5.1021 10.4478 10.4478 14.2613 14.2613 16.0342 16.0342 18.1061 18.1061 k = 0.5893-0.1340 0.4082 ( 1704 PWs) bands (ev): -15.4731 -15.4731 -15.3323 -15.3323 -0.0741 -0.0741 0.7491 0.7491 0.9485 0.9485 1.6377 1.6377 1.8942 1.8942 2.3748 2.3748 2.8338 2.8338 3.2559 3.2559 4.0222 4.0222 4.7214 4.7214 5.1037 5.1037 10.4515 10.4515 14.1976 14.1976 16.1129 16.1129 18.0743 18.0743 k = 0.5833-0.1443 0.4082 ( 1710 PWs) bands (ev): -15.4771 -15.4771 -15.3280 -15.3280 -0.0921 -0.0921 0.7621 0.7621 0.9466 0.9466 1.6642 1.6642 1.8990 1.8990 2.3537 2.3537 2.8313 2.8313 3.2196 3.2196 4.0420 4.0420 4.7460 4.7460 5.1060 5.1060 10.4544 10.4544 14.1357 14.1357 16.1916 16.1916 18.0424 18.0424 k = 0.5774-0.1546 0.4082 ( 1710 PWs) bands (ev): -15.4808 -15.4808 -15.3239 -15.3239 -0.1094 -0.1094 0.7752 0.7752 0.9446 0.9446 1.6908 1.6908 1.9046 1.9046 2.3325 2.3325 2.8291 2.8291 3.1838 3.1838 4.0587 4.0587 4.7709 4.7709 5.1091 5.1091 10.4565 10.4565 14.0762 14.0762 16.2696 16.2696 18.0104 18.0104 k = 0.5714-0.1650 0.4082 ( 1714 PWs) bands (ev): -15.4842 -15.4842 -15.3201 -15.3201 -0.1260 -0.1260 0.7881 0.7881 0.9424 0.9424 1.7173 1.7173 1.9110 1.9110 2.3114 2.3114 2.8271 2.8271 3.1487 3.1487 4.0727 4.0727 4.7955 4.7955 5.1129 5.1129 10.4579 10.4579 14.0196 14.0196 16.3465 16.3465 17.9784 17.9784 k = 0.5655-0.1753 0.4082 ( 1714 PWs) bands (ev): -15.4874 -15.4874 -15.3167 -15.3167 -0.1416 -0.1416 0.8006 0.8006 0.9403 0.9403 1.7435 1.7435 1.9184 1.9184 2.2905 2.2905 2.8250 2.8250 3.1148 3.1148 4.0843 4.0843 4.8191 4.8191 5.1176 5.1176 10.4588 10.4588 13.9661 13.9661 16.4216 16.4216 17.9466 17.9466 k = 0.5595-0.1856 0.4082 ( 1714 PWs) bands (ev): -15.4903 -15.4903 -15.3135 -15.3135 -0.1561 -0.1561 0.8127 0.8127 0.9382 0.9382 1.7690 1.7690 1.9267 1.9267 2.2701 2.2701 2.8228 2.8228 3.0822 3.0822 4.0939 4.0939 4.8413 4.8413 5.1231 5.1231 10.4593 10.4593 13.9162 13.9162 16.4944 16.4944 17.9149 17.9149 k = 0.5536-0.1959 0.4082 ( 1710 PWs) bands (ev): -15.4929 -15.4929 -15.3107 -15.3107 -0.1696 -0.1696 0.8240 0.8240 0.9362 0.9362 1.7935 1.7935 1.9359 1.9359 2.2501 2.2501 2.8201 2.8201 3.0514 3.0514 4.1018 4.1018 4.8615 4.8615 5.1294 5.1294 10.4594 10.4594 13.8702 13.8702 16.5642 16.5642 17.8837 17.8837 k = 0.5476-0.2062 0.4082 ( 1710 PWs) bands (ev): -15.4953 -15.4953 -15.3081 -15.3081 -0.1818 -0.1818 0.8344 0.8344 0.9344 0.9344 1.8165 1.8165 1.9460 1.9460 2.2309 2.2309 2.8169 2.8169 3.0230 3.0230 4.1082 4.1082 4.8794 4.8794 5.1363 5.1363 10.4593 10.4593 13.8282 13.8282 16.6306 16.6306 17.8531 17.8531 k = 0.5417-0.2165 0.4082 ( 1710 PWs) bands (ev): -15.4973 -15.4973 -15.3059 -15.3059 -0.1927 -0.1927 0.8437 0.8437 0.9329 0.9329 1.8378 1.8378 1.9569 1.9569 2.2126 2.2126 2.8128 2.8128 2.9975 2.9975 4.1133 4.1133 4.8950 4.8950 5.1437 5.1437 10.4590 10.4590 13.7906 13.7906 16.6927 16.6927 17.8235 17.8235 k = 0.5357-0.2268 0.4082 ( 1706 PWs) bands (ev): -15.4991 -15.4991 -15.3040 -15.3040 -0.2023 -0.2023 0.8519 0.8519 0.9316 0.9316 1.8569 1.8569 1.9683 1.9683 2.1954 2.1954 2.8077 2.8077 2.9753 2.9753 4.1174 4.1174 4.9081 4.9081 5.1513 5.1513 10.4587 10.4587 13.7576 13.7576 16.7498 16.7498 17.7953 17.7953 k = 0.5298-0.2371 0.4082 ( 1706 PWs) bands (ev): -15.5007 -15.5007 -15.3023 -15.3023 -0.2105 -0.2105 0.8589 0.8589 0.9307 0.9307 1.8736 1.8736 1.9799 1.9799 2.1797 2.1797 2.8019 2.8019 2.9569 2.9569 4.1206 4.1206 4.9187 4.9187 5.1585 5.1585 10.4582 10.4582 13.7293 13.7293 16.8011 16.8011 17.7690 17.7690 k = 0.5238-0.2474 0.4082 ( 1712 PWs) bands (ev): -15.5019 -15.5019 -15.3010 -15.3010 -0.2172 -0.2172 0.8645 0.8645 0.9301 0.9301 1.8876 1.8876 1.9910 1.9910 2.1657 2.1657 2.7954 2.7954 2.9425 2.9425 4.1231 4.1231 4.9271 4.9271 5.1651 5.1651 10.4578 10.4578 13.7060 13.7060 16.8454 16.8454 17.7455 17.7455 k = 0.5179-0.2577 0.4082 ( 1716 PWs) bands (ev): -15.5029 -15.5029 -15.3000 -15.3000 -0.2225 -0.2225 0.8688 0.8688 0.9297 0.9297 1.8988 1.8988 2.0009 2.0009 2.1539 2.1539 2.7891 2.7891 2.9318 2.9318 4.1249 4.1249 4.9334 4.9334 5.1707 5.1707 10.4574 10.4574 13.6877 13.6877 16.8817 16.8817 17.7256 17.7256 k = 0.5119-0.2681 0.4082 ( 1724 PWs) bands (ev): -15.5036 -15.5036 -15.2993 -15.2993 -0.2263 -0.2263 0.8718 0.8718 0.9295 0.9295 1.9070 1.9070 2.0088 2.0088 2.1449 2.1449 2.7838 2.7838 2.9246 2.9246 4.1261 4.1261 4.9377 4.9377 5.1750 5.1750 10.4572 10.4572 13.6745 13.6745 16.9089 16.9089 17.7103 17.7103 k = 0.5060-0.2784 0.4082 ( 1724 PWs) bands (ev): -15.5040 -15.5040 -15.2988 -15.2988 -0.2286 -0.2286 0.8735 0.8735 0.9295 0.9295 1.9121 1.9121 2.0140 2.0140 2.1391 2.1391 2.7802 2.7802 2.9205 2.9205 4.1268 4.1268 4.9403 4.9403 5.1776 5.1776 10.4570 10.4570 13.6666 13.6666 16.9257 16.9257 17.7007 17.7007 k = 0.5000-0.2887 0.4082 ( 1724 PWs) bands (ev): -15.5042 -15.5042 -15.2987 -15.2987 -0.2293 -0.2293 0.8741 0.8741 0.9295 0.9295 1.9138 1.9138 2.0158 2.0158 2.1371 2.1371 2.7789 2.7789 2.9192 2.9192 4.1271 4.1271 4.9411 4.9411 5.1785 5.1785 10.4569 10.4569 13.6639 13.6639 16.9314 16.9314 17.6974 17.6974 Writing output data file HgF2.save init_run : 0.16s CPU 0.27s WALL ( 1 calls) electrons : 57.84s CPU 59.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 57.84s CPU 59.39s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 381 calls) cegterg : 54.11s CPU 55.19s WALL ( 398 calls) Called by sum_band: Called by *egterg: h_psi : 28.03s CPU 29.16s WALL ( 6247 calls) s_psi : 1.01s CPU 0.97s WALL ( 6247 calls) g_psi : 0.09s CPU 0.08s WALL ( 5468 calls) cdiaghg : 23.16s CPU 23.18s WALL ( 5849 calls) cegterg:over : 1.94s CPU 1.98s WALL ( 5468 calls) cegterg:upda : 1.14s CPU 1.24s WALL ( 5468 calls) cegterg:last : 0.83s CPU 0.87s WALL ( 1431 calls) cdiaghg:chol : 1.22s CPU 1.16s WALL ( 5849 calls) cdiaghg:inve : 0.62s CPU 0.63s WALL ( 5849 calls) cdiaghg:para : 1.44s CPU 1.33s WALL ( 11698 calls) Called by h_psi: h_psi:vloc : 25.54s CPU 26.55s WALL ( 6247 calls) h_psi:vnl : 2.46s CPU 2.57s WALL ( 6247 calls) add_vuspsi : 1.22s CPU 1.28s WALL ( 6247 calls) General routines calbec : 1.21s CPU 1.27s WALL ( 6247 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.37s CPU 24.39s WALL ( 588864 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 762 calls) Parallel routines fft_scatter : 11.44s CPU 11.82s WALL ( 588887 calls) PWSCF : 1m 6.48s CPU 1m24.18s WALL This run was terminated on: 17:58:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=