Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 7:26 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: ./InAs.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 22 17 5 425 272 45 Max 23 18 6 428 282 48 Sum 817 613 187 15353 9985 1687 bravais-lattice index = 14 lattice parameter (alat) = 7.3680 a.u. unit-cell volume = 282.8374 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.368017 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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) In 13.00 114.81800 In( 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 0.5778688), 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 0.2028688 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 0.6951220), 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 0.4146341 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 0.4451220 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: 15353 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 9985 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 80, 26) NL pseudopotentials 0.03 Mb ( 40, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 426) G-vector shells 0.00 Mb ( 163) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 80, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./InAs.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 2.9 secs Computing kpt #: 13 total cpu time spent up to now is 3.0 secs Computing kpt #: 14 total cpu time spent up to now is 3.1 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.4 secs Computing kpt #: 17 total cpu time spent up to now is 3.5 secs Computing kpt #: 18 total cpu time spent up to now is 3.6 secs Computing kpt #: 19 total cpu time spent up to now is 3.7 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.2 secs Computing kpt #: 25 total cpu time spent up to now is 4.3 secs Computing kpt #: 26 total cpu time spent up to now is 4.4 secs Computing kpt #: 27 total cpu time spent up to now is 4.5 secs Computing kpt #: 28 total cpu time spent up to now is 4.6 secs Computing kpt #: 29 total cpu time spent up to now is 4.7 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.1 secs Computing kpt #: 33 total cpu time spent up to now is 5.2 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.4 secs Computing kpt #: 36 total cpu time spent up to now is 5.4 secs Computing kpt #: 37 total cpu time spent up to now is 5.5 secs Computing kpt #: 38 total cpu time spent up to now is 5.6 secs Computing kpt #: 39 total cpu time spent up to now is 5.7 secs Computing kpt #: 40 total cpu time spent up to now is 5.8 secs Computing kpt #: 41 total cpu time spent up to now is 5.9 secs Computing kpt #: 42 total cpu time spent up to now is 6.0 secs Computing kpt #: 43 total cpu time spent up to now is 6.1 secs Computing kpt #: 44 total cpu time spent up to now is 6.2 secs Computing kpt #: 45 total cpu time spent up to now is 6.3 secs Computing kpt #: 46 total cpu time spent up to now is 6.4 secs Computing kpt #: 47 total cpu time spent up to 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spent up to now is 7.8 secs Computing kpt #: 64 total cpu time spent up to now is 7.8 secs Computing kpt #: 65 total cpu time spent up to now is 7.9 secs Computing kpt #: 66 total cpu time spent up to now is 8.0 secs Computing kpt #: 67 total cpu time spent up to now is 8.1 secs Computing kpt #: 68 total cpu time spent up to now is 8.2 secs Computing kpt #: 69 total cpu time spent up to now is 8.3 secs Computing kpt #: 70 total cpu time spent up to now is 8.4 secs Computing kpt #: 71 total cpu time spent up to now is 8.5 secs Computing kpt #: 72 total cpu time spent up to now is 8.6 secs Computing kpt #: 73 total cpu time spent up to now is 8.6 secs Computing kpt #: 74 total cpu time spent up to now is 8.7 secs Computing kpt #: 75 total cpu time spent up to now is 8.8 secs Computing kpt #: 76 total cpu time spent up to now is 8.9 secs Computing kpt #: 77 total cpu time spent up to now is 9.0 secs Computing kpt #: 78 total cpu time spent up to now is 9.0 secs Computing kpt #: 79 total cpu time spent up to now is 9.1 secs Computing kpt #: 80 total cpu time spent up to now is 9.2 secs Computing kpt #: 81 total cpu time spent up to now is 9.3 secs Computing kpt #: 82 total cpu time spent up to now is 9.3 secs Computing kpt #: 83 total cpu time spent up to now is 9.4 secs Computing kpt #: 84 total cpu time spent up to now is 9.5 secs Computing kpt #: 85 total cpu time spent up to now is 9.5 secs Computing kpt #: 86 total cpu time spent up to now is 9.6 secs Computing kpt #: 87 total cpu time spent up to now is 9.7 secs Computing kpt #: 88 total cpu time spent up to now is 9.8 secs Computing kpt #: 89 total cpu time spent up to now is 9.8 secs Computing kpt #: 90 total cpu time spent up to now is 9.9 secs Computing kpt #: 91 total cpu time spent up to now is 10.0 secs Computing kpt #: 92 total cpu time spent up to now is 10.1 secs Computing kpt #: 93 total cpu time spent up to now is 10.1 secs Computing kpt #: 94 total cpu time spent up to now is 10.2 secs Computing kpt #: 95 total cpu time spent up to now is 10.3 secs Computing kpt #: 96 total cpu time spent up to now is 10.4 secs Computing kpt #: 97 total cpu time spent up to now is 10.4 secs Computing kpt #: 98 total cpu time spent up to now is 10.5 secs Computing kpt #: 99 total cpu time spent up to now is 10.6 secs Computing kpt #: 100 total cpu time spent up to now is 10.7 secs Computing kpt #: 101 total cpu time spent up to now is 10.8 secs Computing kpt #: 102 total cpu time spent up to now is 10.9 secs Computing kpt #: 103 total cpu time spent up to now is 10.9 secs Computing kpt #: 104 total cpu time spent up to now is 11.0 secs Computing kpt #: 105 total cpu time spent up to now is 11.1 secs Computing kpt #: 106 total cpu time spent up to now is 11.2 secs Computing kpt #: 107 total cpu time spent up to now is 11.3 secs Computing kpt #: 108 total cpu time spent up to now is 11.4 secs Computing kpt #: 109 total cpu time spent up to now is 11.5 secs Computing kpt #: 110 total cpu time spent up to now is 11.6 secs Computing kpt #: 111 total cpu time spent up to now is 11.7 secs Computing kpt #: 112 total cpu time spent up to now is 11.7 secs Computing kpt #: 113 total cpu time spent up to now is 11.8 secs Computing kpt #: 114 total cpu time spent up to now is 11.9 secs Computing kpt #: 115 total cpu time spent up to now is 12.0 secs Computing kpt #: 116 total cpu time spent up to now is 12.1 secs Computing kpt #: 117 total cpu time spent up to now is 12.2 secs Computing kpt #: 118 total cpu time spent up to now is 12.3 secs Computing kpt #: 119 total cpu time spent up to now is 12.4 secs Computing kpt #: 120 total cpu time spent up to now is 12.4 secs Computing kpt #: 121 total cpu time spent up to now is 12.5 secs Computing kpt #: 122 total cpu time spent up to now is 12.6 secs Computing kpt #: 123 total cpu time spent up to now is 12.7 secs Computing kpt #: 124 total cpu time spent up to now is 12.8 secs Computing kpt #: 125 total cpu time spent up to now is 12.9 secs Computing kpt #: 126 total cpu time spent up to now is 12.9 secs Computing kpt #: 127 total cpu time spent up to now is 13.0 secs Computing kpt #: 128 total cpu time spent up to now is 13.1 secs Computing kpt #: 129 total cpu time spent up to now is 13.2 secs Computing kpt #: 130 total cpu time spent up to now is 13.2 secs Computing kpt #: 131 total cpu time spent up to now is 13.3 secs Computing kpt #: 132 total cpu time spent up to now is 13.4 secs Computing kpt #: 133 total cpu time spent up to now is 13.5 secs Computing kpt #: 134 total cpu time spent up to now is 13.5 secs Computing kpt #: 135 total cpu time spent up to now is 13.6 secs Computing kpt #: 136 total cpu time spent up to now is 13.7 secs Computing kpt #: 137 total cpu time spent up to now is 13.7 secs Computing kpt #: 138 total cpu time spent up to now is 13.8 secs Computing kpt #: 139 total cpu time spent up to now is 13.9 secs Computing kpt #: 140 total cpu time spent up to now is 14.0 secs Computing kpt #: 141 total cpu time spent up to now is 14.0 secs Computing kpt #: 142 total cpu time spent up to now is 14.1 secs Computing kpt #: 143 total cpu time spent up to now is 14.2 secs Computing kpt #: 144 total cpu time spent up to now is 14.3 secs Computing kpt #: 145 total cpu time spent up to now is 14.3 secs Computing kpt #: 146 total cpu time spent up to now is 14.4 secs Computing kpt #: 147 total cpu time spent up to now is 14.5 secs Computing kpt #: 148 total cpu time spent up to now is 14.6 secs Computing kpt #: 149 total cpu time spent up to now is 14.7 secs Computing kpt #: 150 total cpu time spent up to now is 14.7 secs Computing kpt #: 151 total cpu time spent up to now is 14.9 secs Computing kpt #: 152 total cpu time spent up to now is 15.0 secs Computing kpt #: 153 total cpu time spent up to now is 15.1 secs Computing kpt #: 154 total cpu time spent up to now is 15.2 secs Computing kpt #: 155 total cpu time spent up to now is 15.2 secs Computing kpt #: 156 total cpu time spent up 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Computing kpt #: 172 total cpu time spent up to now is 17.0 secs Computing kpt #: 173 total cpu time spent up to now is 17.1 secs Computing kpt #: 174 total cpu time spent up to now is 17.2 secs Computing kpt #: 175 total cpu time spent up to now is 17.4 secs Computing kpt #: 176 total cpu time spent up to now is 17.5 secs Computing kpt #: 177 total cpu time spent up to now is 17.6 secs Computing kpt #: 178 total cpu time spent up to now is 17.7 secs Computing kpt #: 179 total cpu time spent up to now is 17.8 secs Computing kpt #: 180 total cpu time spent up to now is 17.9 secs Computing kpt #: 181 total cpu time spent up to now is 18.0 secs Computing kpt #: 182 total cpu time spent up to now is 18.1 secs Computing kpt #: 183 total cpu time spent up to now is 18.2 secs Computing kpt #: 184 total cpu time spent up to now is 18.3 secs Computing kpt #: 185 total cpu time spent up to now is 18.4 secs Computing kpt #: 186 total cpu time spent up to now is 18.5 secs Computing kpt #: 187 total cpu time spent up to now is 18.6 secs Computing kpt #: 188 total cpu time spent up to now is 18.7 secs Computing kpt #: 189 total cpu time spent up to now is 18.8 secs Computing kpt #: 190 total cpu time spent up to now is 18.9 secs Computing kpt #: 191 total cpu time spent up to now is 18.9 secs Computing kpt #: 192 total cpu time spent up to now is 19.0 secs Computing kpt #: 193 total cpu time spent up to now is 19.1 secs Computing kpt #: 194 total cpu time spent up to now is 19.2 secs Computing kpt #: 195 total cpu time spent up to now is 19.3 secs Computing kpt #: 196 total cpu time spent up to now is 19.3 secs Computing kpt #: 197 total cpu time spent up to now is 19.4 secs Computing kpt #: 198 total cpu time spent up to now is 19.5 secs Computing kpt #: 199 total cpu time spent up to now is 19.6 secs Computing kpt #: 200 total cpu time spent up to now is 19.6 secs Computing kpt #: 201 total cpu time spent up to now is 19.7 secs Computing kpt #: 202 total cpu time spent up 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Computing kpt #: 218 total cpu time spent up to now is 20.8 secs Computing kpt #: 219 total cpu time spent up to now is 20.9 secs Computing kpt #: 220 total cpu time spent up to now is 21.0 secs Computing kpt #: 221 total cpu time spent up to now is 21.0 secs Computing kpt #: 222 total cpu time spent up to now is 21.1 secs Computing kpt #: 223 total cpu time spent up to now is 21.2 secs Computing kpt #: 224 total cpu time spent up to now is 21.2 secs Computing kpt #: 225 total cpu time spent up to now is 21.3 secs Computing kpt #: 226 total cpu time spent up to now is 21.4 secs Computing kpt #: 227 total cpu time spent up to now is 21.4 secs Computing kpt #: 228 total cpu time spent up to now is 21.5 secs Computing kpt #: 229 total cpu time spent up to now is 21.6 secs Computing kpt #: 230 total cpu time spent up to now is 21.6 secs Computing kpt #: 231 total cpu time spent up to now is 21.7 secs Computing kpt #: 232 total cpu time spent up to now is 21.8 secs Computing kpt #: 233 total cpu time spent up to now is 21.8 secs Computing kpt #: 234 total cpu time spent up to now is 21.9 secs Computing kpt #: 235 total cpu time spent up to now is 22.0 secs Computing kpt #: 236 total cpu time spent up to now is 22.0 secs Computing kpt #: 237 total cpu time spent up to now is 22.1 secs Computing kpt #: 238 total cpu time spent up to now is 22.2 secs Computing kpt #: 239 total cpu time spent up to now is 22.3 secs Computing kpt #: 240 total cpu time spent up to now is 22.4 secs Computing kpt #: 241 total cpu time spent up to now is 22.4 secs Computing kpt #: 242 total cpu time spent up to now is 22.5 secs Computing kpt #: 243 total cpu time spent up to now is 22.6 secs Computing kpt #: 244 total cpu time spent up to now is 22.7 secs Computing kpt #: 245 total cpu time spent up to now is 22.8 secs Computing kpt #: 246 total cpu time spent up to now is 22.9 secs Computing kpt #: 247 total cpu time spent up to now is 23.0 secs Computing kpt #: 248 total cpu time spent up to now is 23.1 secs Computing kpt #: 249 total cpu time spent up to now is 23.2 secs Computing kpt #: 250 total cpu time spent up to now is 23.3 secs Computing kpt #: 251 total cpu time spent up to now is 23.4 secs Computing kpt #: 252 total cpu time spent up to now is 23.4 secs Computing kpt #: 253 total cpu time spent up to now is 23.5 secs Computing kpt #: 254 total cpu time spent up to now is 23.6 secs Computing kpt #: 255 total cpu time spent up to now is 23.7 secs Computing kpt #: 256 total cpu time spent up to now is 23.8 secs Computing kpt #: 257 total cpu time spent up to now is 23.9 secs Computing kpt #: 258 total cpu time spent up to now is 24.0 secs Computing kpt #: 259 total cpu time spent up to now is 24.1 secs Computing kpt #: 260 total cpu time spent up to now is 24.2 secs Computing kpt #: 261 total cpu time spent up to now is 24.2 secs Computing kpt #: 262 total cpu time spent up to now is 24.3 secs Computing kpt #: 263 total cpu time spent up to now is 24.4 secs Computing kpt #: 264 total cpu time spent up to now is 24.5 secs Computing kpt #: 265 total cpu time spent up to now is 24.6 secs Computing kpt #: 266 total cpu time spent up to now is 24.7 secs Computing kpt #: 267 total cpu time spent up to now is 24.8 secs Computing kpt #: 268 total cpu time spent up to now is 24.9 secs Computing kpt #: 269 total cpu time spent up to now is 24.9 secs Computing kpt #: 270 total cpu time spent up to now is 25.0 secs Computing kpt #: 271 total cpu time spent up to now is 25.1 secs Computing kpt #: 272 total cpu time spent up to now is 25.2 secs Computing kpt #: 273 total cpu time spent up to now is 25.3 secs Computing kpt #: 274 total cpu time spent up to now is 25.3 secs Computing kpt #: 275 total cpu time spent up to now is 25.4 secs Computing kpt #: 276 total cpu time spent up to now is 25.5 secs Computing kpt #: 277 total cpu time spent up to now is 25.6 secs Computing kpt #: 278 total cpu time spent up to now is 25.6 secs Computing kpt #: 279 total cpu time spent up to now is 25.7 secs Computing kpt #: 280 total cpu time spent up to now is 25.8 secs Computing kpt #: 281 total cpu time spent up to now is 25.9 secs Computing kpt #: 282 total cpu time spent up to now is 25.9 secs Computing kpt #: 283 total cpu time spent up to now is 26.0 secs Computing kpt #: 284 total cpu time spent up to now is 26.1 secs Computing kpt #: 285 total cpu time spent up to now is 26.2 secs Computing kpt #: 286 total cpu time spent up to now is 26.2 secs Computing kpt #: 287 total cpu time spent up to now is 26.3 secs Computing kpt #: 288 total cpu time spent up to now is 26.4 secs Computing kpt #: 289 total cpu time spent up to now is 26.5 secs Computing kpt #: 290 total cpu time spent up to now is 26.5 secs Computing kpt #: 291 total cpu time spent up to now is 26.6 secs Computing kpt #: 292 total cpu time spent up to now is 26.7 secs Computing kpt #: 293 total cpu time spent up to now is 26.8 secs Computing kpt #: 294 total cpu time spent up to now is 26.9 secs Computing kpt #: 295 total cpu time spent up to now is 27.0 secs Computing kpt #: 296 total cpu time spent up to now is 27.1 secs Computing kpt #: 297 total cpu time spent up to now is 27.1 secs Computing kpt #: 298 total cpu time spent up to now is 27.2 secs Computing kpt #: 299 total cpu time spent up to now is 27.3 secs Computing kpt #: 300 total cpu time spent up to now is 27.4 secs Computing kpt #: 301 total cpu time spent up to now is 27.5 secs Computing kpt #: 302 total cpu time spent up to now is 27.6 secs Computing kpt #: 303 total cpu time spent up to now is 27.7 secs Computing kpt #: 304 total cpu time spent up to now is 27.7 secs Computing kpt #: 305 total cpu time spent up to now is 27.8 secs Computing kpt #: 306 total cpu time spent up to now is 27.9 secs Computing kpt #: 307 total cpu time spent up to now is 28.0 secs Computing kpt #: 308 total cpu time spent up to now is 28.1 secs Computing kpt #: 309 total cpu time spent up to now is 28.1 secs Computing kpt #: 310 total cpu time spent up to now is 28.2 secs Computing kpt #: 311 total cpu time spent up to now is 28.3 secs Computing kpt #: 312 total cpu time spent up to now is 28.4 secs Computing kpt #: 313 total cpu time spent up to now is 28.4 secs Computing kpt #: 314 total cpu time spent up to now is 28.5 secs Computing kpt #: 315 total cpu time spent up to now is 28.6 secs Computing kpt #: 316 total cpu time spent up to now is 28.6 secs Computing kpt #: 317 total cpu time spent up to now is 28.7 secs Computing kpt #: 318 total cpu time spent up to now is 28.8 secs Computing kpt #: 319 total cpu time spent up to now is 28.8 secs Computing kpt #: 320 total cpu time spent up to now is 28.9 secs Computing kpt #: 321 total cpu time spent up to now is 29.0 secs Computing kpt #: 322 total cpu time spent up to now is 29.0 secs Computing kpt #: 323 total cpu time spent up to now is 29.1 secs Computing kpt #: 324 total cpu time spent up to now is 29.2 secs Computing kpt #: 325 total cpu time spent up to now is 29.2 secs Computing kpt #: 326 total cpu time spent up to now is 29.3 secs Computing kpt #: 327 total cpu time spent up to now is 29.4 secs Computing kpt #: 328 total cpu time spent up to now is 29.4 secs Computing kpt #: 329 total cpu time spent up to now is 29.5 secs Computing kpt #: 330 total cpu time spent up to now is 29.6 secs Computing kpt #: 331 total cpu time spent up to now is 29.6 secs Computing kpt #: 332 total cpu time spent up to now is 29.7 secs Computing kpt #: 333 total cpu time spent up to now is 29.8 secs Computing kpt #: 334 total cpu time spent up to now is 29.8 secs Computing kpt #: 335 total cpu time spent up to now is 29.9 secs Computing kpt #: 336 total cpu time spent up to now is 30.0 secs Computing kpt #: 337 total cpu time spent up to now is 30.0 secs Computing kpt #: 338 total cpu time spent up to now is 30.1 secs Computing kpt #: 339 total cpu time spent up to now is 30.2 secs Computing kpt #: 340 total cpu time spent up to now is 30.3 secs Computing kpt #: 341 total cpu time spent up to now is 30.4 secs Computing kpt #: 342 total cpu time spent up to now is 30.5 secs Computing kpt #: 343 total cpu time spent up to now is 30.6 secs Computing kpt #: 344 total cpu time spent up to now is 30.6 secs Computing kpt #: 345 total cpu time spent up to now is 30.7 secs Computing kpt #: 346 total cpu time spent up to now is 30.8 secs Computing kpt #: 347 total cpu time spent up to now is 30.9 secs Computing kpt #: 348 total cpu time spent up to now is 31.0 secs Computing kpt #: 349 total cpu time spent up to now is 31.1 secs Computing kpt #: 350 total cpu time spent up to now is 31.2 secs Computing kpt #: 351 total cpu time spent up to now is 31.3 secs Computing kpt #: 352 total cpu time spent up to now is 31.4 secs Computing kpt #: 353 total cpu time spent up to now is 31.5 secs Computing kpt #: 354 total cpu time spent up to now is 31.5 secs Computing kpt #: 355 total cpu time spent up to now is 31.6 secs Computing kpt #: 356 total cpu time spent up to now is 31.7 secs Computing kpt #: 357 total cpu time spent up to now is 31.8 secs Computing kpt #: 358 total cpu time spent up to now is 31.9 secs Computing kpt #: 359 total cpu time spent up to now is 32.0 secs Computing kpt #: 360 total cpu time spent up to now is 32.1 secs Computing kpt #: 361 total cpu time spent up to now is 32.2 secs Computing kpt #: 362 total cpu time spent up to now is 32.3 secs Computing kpt #: 363 total cpu time spent up to now is 32.3 secs Computing kpt #: 364 total cpu time spent up to now is 32.4 secs Computing kpt #: 365 total cpu time spent up to now is 32.5 secs Computing kpt #: 366 total cpu time spent up to now is 32.6 secs Computing kpt #: 367 total cpu time spent up to now is 32.7 secs Computing kpt #: 368 total cpu time spent up to now is 32.8 secs Computing kpt #: 369 total cpu time spent up to now is 32.9 secs Computing kpt #: 370 total cpu time spent up to now is 32.9 secs Computing kpt #: 371 total cpu time spent up to now is 33.0 secs Computing kpt #: 372 total cpu time spent up to now is 33.1 secs Computing kpt #: 373 total cpu time spent up to now is 33.2 secs Computing kpt #: 374 total cpu time spent up to now is 33.3 secs Computing kpt #: 375 total cpu time spent up to now is 33.4 secs Computing kpt #: 376 total cpu time spent up to now is 33.5 secs Computing kpt #: 377 total cpu time spent up to now is 33.5 secs Computing kpt #: 378 total cpu time spent up to now is 33.6 secs Computing kpt #: 379 total cpu time spent up to now is 33.7 secs Computing kpt #: 380 total cpu time spent up to now is 33.8 secs Computing kpt #: 381 total cpu time spent up to now is 33.8 secs ethr = 5.56E-08, avg # of iterations = 13.9 total cpu time spent up to now is 33.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -4.6802 -4.6802 -4.6802 -4.6802 -3.8397 -3.8397 -3.8397 -3.8397 -3.8230 -3.8230 -2.7454 -2.7454 9.7371 9.7371 10.1695 10.1695 10.1695 10.1695 10.5986 10.5986 17.6116 17.6116 17.6116 17.6116 17.6693 17.6693 k = 0.0088-0.0051 0.0072 ( 1243 PWs) bands (ev): -4.6802 -4.6802 -4.6802 -4.6802 -3.8397 -3.8397 -3.8397 -3.8397 -3.8230 -3.8230 -2.7440 -2.7440 9.7252 9.7252 10.1293 10.1293 10.1671 10.1671 10.6515 10.6515 17.6013 17.6013 17.6042 17.6042 17.6642 17.6642 k = 0.0175-0.0101 0.0143 ( 1243 PWs) bands (ev): -4.6802 -4.6802 -4.6801 -4.6801 -3.8399 -3.8399 -3.8396 -3.8396 -3.8229 -3.8229 -2.7401 -2.7401 9.6865 9.6865 10.0486 10.0486 10.1597 10.1597 10.7730 10.7730 17.5665 17.5665 17.5834 17.5834 17.6547 17.6547 k = 0.0263-0.0152 0.0215 ( 1243 PWs) bands (ev): -4.6803 -4.6803 -4.6801 -4.6801 -3.8402 -3.8402 -3.8395 -3.8395 -3.8227 -3.8227 -2.7335 -2.7335 9.6161 9.6161 9.9723 9.9723 10.1476 10.1476 10.9233 10.9233 17.5067 17.5067 17.5518 17.5518 17.6463 17.6463 k = 0.0351-0.0203 0.0286 ( 1243 PWs) bands (ev): -4.6804 -4.6804 -4.6800 -4.6800 -3.8407 -3.8407 -3.8393 -3.8393 -3.8224 -3.8224 -2.7243 -2.7243 9.5158 9.5158 9.9135 9.9135 10.1307 10.1307 11.0872 11.0872 17.4279 17.4279 17.5098 17.5098 17.6392 17.6392 k = 0.0439-0.0253 0.0358 ( 1243 PWs) bands (ev): -4.6805 -4.6805 -4.6799 -4.6799 -3.8413 -3.8413 -3.8392 -3.8392 -3.8219 -3.8219 -2.7124 -2.7124 9.3960 9.3960 9.8677 9.8677 10.1091 10.1091 11.2592 11.2592 17.3360 17.3360 17.4513 17.4513 17.6333 17.6333 k = 0.0526-0.0304 0.0430 ( 1243 PWs) bands (ev): -4.6807 -4.6807 -4.6797 -4.6797 -3.8420 -3.8420 -3.8390 -3.8390 -3.8214 -3.8214 -2.6978 -2.6978 9.2662 9.2662 9.8277 9.8277 10.0831 10.0831 11.4366 11.4366 17.2353 17.2353 17.3549 17.3549 17.6289 17.6289 k = 0.0614-0.0355 0.0501 ( 1243 PWs) bands (ev): -4.6809 -4.6809 -4.6795 -4.6795 -3.8430 -3.8430 -3.8388 -3.8388 -3.8208 -3.8208 -2.6804 -2.6804 9.1323 9.1323 9.7890 9.7890 10.0527 10.0527 11.6179 11.6179 17.1291 17.1291 17.1947 17.1947 17.5972 17.5972 k = 0.0702-0.0405 0.0573 ( 1251 PWs) bands (ev): -4.6812 -4.6812 -4.6793 -4.6793 -3.8442 -3.8442 -3.8386 -3.8386 -3.8200 -3.8200 -2.6603 -2.6603 8.9973 8.9973 9.7493 9.7493 10.0182 10.0182 11.8022 11.8022 16.9817 16.9817 17.0194 17.0194 17.5450 17.5450 k = 0.0789-0.0456 0.0645 ( 1251 PWs) bands (ev): -4.6816 -4.6816 -4.6791 -4.6791 -3.8456 -3.8456 -3.8385 -3.8385 -3.8191 -3.8191 -2.6373 -2.6373 8.8630 8.8630 9.7075 9.7075 9.9798 9.9798 11.9883 11.9883 16.7419 16.7419 16.9079 16.9079 17.5151 17.5151 k = 0.0877-0.0506 0.0716 ( 1255 PWs) bands (ev): -4.6821 -4.6821 -4.6789 -4.6789 -3.8473 -3.8473 -3.8383 -3.8383 -3.8181 -3.8181 -2.6114 -2.6114 8.7302 8.7302 9.6633 9.6633 9.9378 9.9378 12.1754 12.1754 16.4901 16.4901 16.7957 16.7957 17.4979 17.4979 k = 0.0965-0.0557 0.0788 ( 1255 PWs) bands (ev): -4.6827 -4.6827 -4.6786 -4.6786 -3.8493 -3.8493 -3.8382 -3.8382 -3.8169 -3.8169 -2.5826 -2.5826 8.5996 8.5996 9.6165 9.6165 9.8923 9.8923 12.3620 12.3620 16.2341 16.2341 16.6836 16.6836 17.4896 17.4896 k = 0.1053-0.0608 0.0859 ( 1263 PWs) bands (ev): -4.6835 -4.6835 -4.6783 -4.6783 -3.8516 -3.8516 -3.8381 -3.8381 -3.8156 -3.8156 -2.5509 -2.5509 8.4714 8.4714 9.5670 9.5670 9.8437 9.8437 12.5464 12.5464 15.9791 15.9791 16.5722 16.5722 17.4885 17.4885 k = 0.1140-0.0658 0.0931 ( 1263 PWs) bands (ev): -4.6844 -4.6844 -4.6780 -4.6780 -3.8541 -3.8541 -3.8380 -3.8380 -3.8141 -3.8141 -2.5162 -2.5162 8.3458 8.3458 9.5150 9.5150 9.7921 9.7921 12.7257 12.7257 15.7297 15.7297 16.4618 16.4618 17.4939 17.4939 k = 0.1228-0.0709 0.1003 ( 1267 PWs) bands (ev): -4.6854 -4.6854 -4.6777 -4.6777 -3.8569 -3.8569 -3.8380 -3.8380 -3.8125 -3.8125 -2.4785 -2.4785 8.2230 8.2230 9.4606 9.4606 9.7379 9.7379 12.8956 12.8956 15.4917 15.4917 16.3529 16.3529 17.5053 17.5053 k = 0.1316-0.0760 0.1074 ( 1267 PWs) bands (ev): -4.6867 -4.6867 -4.6774 -4.6774 -3.8601 -3.8601 -3.8380 -3.8380 -3.8108 -3.8108 -2.4378 -2.4378 8.1031 8.1031 9.4041 9.4041 9.6814 9.6814 13.0489 13.0489 15.2730 15.2730 16.2457 16.2457 17.5223 17.5223 k = 0.1404-0.0810 0.1146 ( 1275 PWs) bands (ev): -4.6881 -4.6881 -4.6770 -4.6770 -3.8635 -3.8635 -3.8381 -3.8381 -3.8089 -3.8089 -2.3940 -2.3940 7.9860 7.9860 9.3456 9.3456 9.6228 9.6228 13.1738 13.1738 15.0861 15.0861 16.1404 16.1404 17.5449 17.5449 k = 0.1491-0.0861 0.1218 ( 1275 PWs) bands (ev): -4.6898 -4.6898 -4.6766 -4.6766 -3.8672 -3.8672 -3.8382 -3.8382 -3.8068 -3.8068 -2.3472 -2.3472 7.8718 7.8718 9.2855 9.2855 9.5623 9.5623 13.2524 13.2524 14.9492 14.9492 16.0371 16.0371 17.5726 17.5726 k = 0.1579-0.0912 0.1289 ( 1267 PWs) bands (ev): -4.6917 -4.6917 -4.6763 -4.6763 -3.8711 -3.8711 -3.8383 -3.8383 -3.8047 -3.8047 -2.2974 -2.2974 7.7604 7.7604 9.2238 9.2238 9.5003 9.5003 13.2647 13.2647 14.8828 14.8828 15.9359 15.9359 17.6055 17.6055 k = 0.1667-0.0962 0.1361 ( 1267 PWs) bands (ev): -4.6939 -4.6939 -4.6759 -4.6759 -3.8753 -3.8753 -3.8384 -3.8384 -3.8024 -3.8024 -2.2445 -2.2445 7.6519 7.6519 9.1609 9.1609 9.4370 9.4370 13.2008 13.2008 14.8970 14.8970 15.8371 15.8371 17.6432 17.6432 k = 0.1754-0.1013 0.1432 ( 1267 PWs) bands (ev): -4.6963 -4.6963 -4.6755 -4.6755 -3.8797 -3.8797 -3.8385 -3.8385 -3.8000 -3.8000 -2.1887 -2.1887 7.5461 7.5461 9.0970 9.0970 9.3726 9.3726 13.0704 13.0704 14.9823 14.9823 15.7405 15.7405 17.6857 17.6857 k = 0.1842-0.1064 0.1504 ( 1267 PWs) bands (ev): -4.6989 -4.6989 -4.6751 -4.6751 -3.8842 -3.8842 -3.8387 -3.8387 -3.7976 -3.7976 -2.1299 -2.1299 7.4430 7.4430 9.0323 9.0323 9.3074 9.3074 12.8934 12.8934 15.1189 15.1189 15.6464 15.6464 17.7328 17.7328 k = 0.1930-0.1114 0.1576 ( 1271 PWs) bands (ev): -4.7019 -4.7019 -4.6747 -4.6747 -3.8889 -3.8889 -3.8389 -3.8389 -3.7950 -3.7950 -2.0681 -2.0681 7.3425 7.3425 8.9670 8.9670 9.2416 9.2416 12.6878 12.6878 15.2889 15.2889 15.5547 15.5547 17.7843 17.7843 k = 0.2018-0.1165 0.1647 ( 1271 PWs) bands (ev): -4.7051 -4.7051 -4.6743 -4.6743 -3.8937 -3.8937 -3.8391 -3.8391 -3.7923 -3.7923 -2.0034 -2.0034 7.2446 7.2446 8.9014 8.9014 9.1755 9.1755 12.4657 12.4657 15.4654 15.4654 15.4804 15.4804 17.8400 17.8400 k = 0.2105-0.1215 0.1719 ( 1271 PWs) bands (ev): -4.7086 -4.7086 -4.6738 -4.6738 -3.8985 -3.8985 -3.8392 -3.8392 -3.7896 -3.7896 -1.9358 -1.9358 7.1490 7.1490 8.8357 8.8357 9.1092 9.1092 12.2343 12.2343 15.3786 15.3786 15.6861 15.6861 17.8998 17.8998 k = 0.2193-0.1266 0.1791 ( 1279 PWs) bands (ev): -4.7124 -4.7124 -4.6734 -4.6734 -3.9034 -3.9034 -3.8395 -3.8395 -3.7868 -3.7868 -1.8655 -1.8655 7.0558 7.0558 8.7700 8.7700 9.0430 9.0430 11.9983 11.9983 15.2944 15.2944 15.9016 15.9016 17.9635 17.9635 k = 0.2281-0.1317 0.1862 ( 1279 PWs) bands (ev): -4.7164 -4.7164 -4.6730 -4.6730 -3.9083 -3.9083 -3.8397 -3.8397 -3.7840 -3.7840 -1.7924 -1.7924 6.9648 6.9648 8.7046 8.7046 8.9770 8.9770 11.7604 11.7604 15.2128 15.2128 16.1239 16.1239 18.0309 18.0309 k = 0.2368-0.1367 0.1934 ( 1279 PWs) bands (ev): -4.7207 -4.7207 -4.6726 -4.6726 -3.9132 -3.9132 -3.8399 -3.8399 -3.7811 -3.7811 -1.7166 -1.7166 6.8758 6.8758 8.6397 8.6397 8.9115 8.9115 11.5227 11.5227 15.1337 15.1337 16.3512 16.3512 18.1019 18.1019 k = 0.2456-0.1418 0.2005 ( 1283 PWs) bands (ev): -4.7254 -4.7254 -4.6722 -4.6722 -3.9180 -3.9180 -3.8401 -3.8401 -3.7781 -3.7781 -1.6383 -1.6383 6.7886 6.7886 8.5753 8.5753 8.8466 8.8466 11.2864 11.2864 15.0572 15.0572 16.5821 16.5821 18.1763 18.1763 k = 0.2544-0.1469 0.2077 ( 1283 PWs) bands (ev): -4.7302 -4.7302 -4.6718 -4.6718 -3.9227 -3.9227 -3.8403 -3.8403 -3.7751 -3.7751 -1.5574 -1.5574 6.7033 6.7033 8.5118 8.5118 8.7826 8.7826 11.0526 11.0526 14.9833 14.9833 16.8155 16.8155 18.2539 18.2539 k = 0.2632-0.1519 0.2149 ( 1283 PWs) bands (ev): -4.7353 -4.7353 -4.6714 -4.6714 -3.9273 -3.9273 -3.8405 -3.8405 -3.7721 -3.7721 -1.4742 -1.4742 6.6194 6.6194 8.4492 8.4492 8.7194 8.7194 10.8221 10.8221 14.9120 14.9120 17.0507 17.0507 18.3345 18.3345 k = 0.2719-0.1570 0.2220 ( 1275 PWs) bands (ev): -4.7406 -4.7406 -4.6710 -4.6710 -3.9318 -3.9318 -3.8407 -3.8407 -3.7691 -3.7691 -1.3887 -1.3887 6.5370 6.5370 8.3877 8.3877 8.6574 8.6574 10.5956 10.5956 14.8433 14.8433 17.2868 17.2868 18.4179 18.4179 k = 0.2807-0.1621 0.2292 ( 1267 PWs) bands (ev): -4.7461 -4.7461 -4.6706 -4.6706 -3.9360 -3.9360 -3.8409 -3.8409 -3.7661 -3.7661 -1.3010 -1.3010 6.4556 6.4556 8.3274 8.3274 8.5966 8.5966 10.3737 10.3737 14.7772 14.7772 17.5233 17.5233 18.5040 18.5040 k = 0.2895-0.1671 0.2364 ( 1267 PWs) bands (ev): -4.7517 -4.7517 -4.6702 -4.6702 -3.9401 -3.9401 -3.8411 -3.8411 -3.7631 -3.7631 -1.2114 -1.2114 6.3752 6.3752 8.2685 8.2685 8.5373 8.5373 10.1569 10.1569 14.7138 14.7138 17.7595 17.7595 18.5925 18.5925 k = 0.2982-0.1722 0.2435 ( 1267 PWs) bands (ev): -4.7575 -4.7575 -4.6699 -4.6699 -3.9441 -3.9441 -3.8413 -3.8413 -3.7601 -3.7601 -1.1198 -1.1198 6.2955 6.2955 8.2111 8.2111 8.4794 8.4794 9.9457 9.9457 14.6529 14.6529 17.9948 17.9948 18.6832 18.6832 k = 0.3070-0.1773 0.2507 ( 1267 PWs) bands (ev): -4.7634 -4.7634 -4.6695 -4.6695 -3.9478 -3.9478 -3.8415 -3.8415 -3.7572 -3.7572 -1.0267 -1.0267 6.2163 6.2163 8.1553 8.1553 8.4232 8.4232 9.7408 9.7408 14.5946 14.5946 18.2284 18.2284 18.7760 18.7760 k = 0.3158-0.1823 0.2578 ( 1266 PWs) bands (ev): -4.7694 -4.7694 -4.6692 -4.6692 -3.9513 -3.9513 -3.8417 -3.8417 -3.7542 -3.7542 -0.9320 -0.9320 6.1374 6.1374 8.1013 8.1013 8.3687 8.3687 9.5425 9.5425 14.5390 14.5390 18.4596 18.4596 18.8707 18.8707 k = 0.3246-0.1874 0.2650 ( 1266 PWs) bands (ev): -4.7755 -4.7755 -4.6689 -4.6689 -3.9545 -3.9545 -3.8418 -3.8418 -3.7514 -3.7514 -0.8361 -0.8361 6.0585 6.0585 8.0491 8.0491 8.3161 8.3161 9.3514 9.3514 14.4860 14.4860 18.6872 18.6872 18.9676 18.9676 k = 0.3333-0.1925 0.2722 ( 1266 PWs) bands (ev): -4.7816 -4.7816 -4.6685 -4.6685 -3.9576 -3.9576 -3.8420 -3.8420 -3.7486 -3.7486 -0.7392 -0.7392 5.9794 5.9794 7.9988 7.9988 8.2654 8.2654 9.1680 9.1680 14.4356 14.4356 18.9084 18.9084 19.0686 19.0686 k = 0.3421-0.1975 0.2793 ( 1266 PWs) bands (ev): -4.7876 -4.7876 -4.6682 -4.6682 -3.9604 -3.9604 -3.8421 -3.8421 -3.7458 -3.7458 -0.6416 -0.6416 5.8999 5.8999 7.9506 7.9506 8.2168 8.2168 8.9928 8.9928 14.3877 14.3877 19.1069 19.1069 19.1889 19.1889 k = 0.3509-0.2026 0.2865 ( 1258 PWs) bands (ev): -4.7936 -4.7936 -4.6680 -4.6680 -3.9630 -3.9630 -3.8423 -3.8423 -3.7432 -3.7432 -0.5436 -0.5436 5.8200 5.8200 7.9045 7.9045 8.1704 8.1704 8.8261 8.8261 14.3425 14.3425 19.2374 19.2374 19.3727 19.3727 k = 0.3596-0.2076 0.2937 ( 1258 PWs) bands (ev): -4.7995 -4.7995 -4.6677 -4.6677 -3.9654 -3.9654 -3.8424 -3.8424 -3.7406 -3.7406 -0.4455 -0.4455 5.7396 5.7396 7.8606 7.8606 8.1261 8.1261 8.6685 8.6685 14.2999 14.2999 19.3403 19.3403 19.5785 19.5785 k = 0.3684-0.2127 0.3008 ( 1254 PWs) bands (ev): -4.8052 -4.8052 -4.6674 -4.6674 -3.9676 -3.9676 -3.8425 -3.8425 -3.7381 -3.7381 -0.3478 -0.3478 5.6586 5.6586 7.8190 7.8190 8.0842 8.0842 8.5204 8.5204 14.2599 14.2599 19.4384 19.4384 19.7820 19.7820 k = 0.3772-0.2178 0.3080 ( 1254 PWs) bands (ev): -4.8108 -4.8108 -4.6672 -4.6672 -3.9696 -3.9696 -3.8426 -3.8426 -3.7358 -3.7358 -0.2509 -0.2509 5.5772 5.5772 7.7797 7.7797 8.0446 8.0446 8.3820 8.3820 14.2225 14.2225 19.5342 19.5342 19.9708 19.9708 k = 0.3860-0.2228 0.3151 ( 1250 PWs) bands (ev): -4.8161 -4.8161 -4.6670 -4.6670 -3.9714 -3.9714 -3.8427 -3.8427 -3.7335 -3.7335 -0.1554 -0.1554 5.4957 5.4957 7.7429 7.7429 8.0075 8.0075 8.2536 8.2536 14.1877 14.1877 19.6279 19.6279 20.0730 20.0730 k = 0.3947-0.2279 0.3223 ( 1258 PWs) bands (ev): -4.8213 -4.8213 -4.6668 -4.6668 -3.9730 -3.9730 -3.8428 -3.8428 -3.7314 -3.7314 -0.0618 -0.0618 5.4145 5.4145 7.7085 7.7085 7.9729 7.9729 8.1354 8.1354 14.1555 14.1555 19.7190 19.7190 20.1730 20.1730 k = 0.4035-0.2330 0.3295 ( 1258 PWs) bands (ev): -4.8261 -4.8261 -4.6666 -4.6666 -3.9744 -3.9744 -3.8429 -3.8429 -3.7294 -3.7294 0.0292 0.0292 5.3341 5.3341 7.6767 7.6767 7.9409 7.9409 8.0274 8.0274 14.1258 14.1258 19.8070 19.8070 20.2702 20.2702 k = 0.4123-0.2380 0.3366 ( 1258 PWs) bands (ev): -4.8307 -4.8307 -4.6664 -4.6664 -3.9757 -3.9757 -3.8430 -3.8430 -3.7276 -3.7276 0.1170 0.1170 5.2552 5.2552 7.6474 7.6474 7.9115 7.9115 7.9298 7.9298 14.0988 14.0988 19.8912 19.8912 20.3637 20.3637 k = 0.4211-0.2431 0.3438 ( 1254 PWs) bands (ev): -4.8349 -4.8349 -4.6662 -4.6662 -3.9768 -3.9768 -3.8431 -3.8431 -3.7259 -3.7259 0.2006 0.2006 5.1787 5.1787 7.6208 7.6208 7.8424 7.8424 7.8847 7.8847 14.0744 14.0744 19.9709 19.9709 20.4528 20.4528 k = 0.4298-0.2482 0.3510 ( 1254 PWs) bands (ev): -4.8387 -4.8387 -4.6661 -4.6661 -3.9778 -3.9778 -3.8431 -3.8431 -3.7244 -3.7244 0.2793 0.2793 5.1056 5.1056 7.5968 7.5968 7.7652 7.7652 7.8606 7.8606 14.0525 14.0525 20.0454 20.0454 20.5364 20.5364 k = 0.4386-0.2532 0.3581 ( 1262 PWs) bands (ev): -4.8422 -4.8422 -4.6660 -4.6660 -3.9786 -3.9786 -3.8432 -3.8432 -3.7230 -3.7230 0.3520 0.3520 5.0370 5.0370 7.5755 7.5755 7.6978 7.6978 7.8393 7.8393 14.0332 14.0332 20.1137 20.1137 20.6137 20.6137 k = 0.4474-0.2583 0.3653 ( 1262 PWs) bands (ev): -4.8452 -4.8452 -4.6658 -4.6658 -3.9793 -3.9793 -3.8432 -3.8432 -3.7218 -3.7218 0.4179 0.4179 4.9741 4.9741 7.5568 7.5568 7.6402 7.6402 7.8208 7.8208 14.0164 14.0164 20.1752 20.1752 20.6835 20.6835 k = 0.4561-0.2634 0.3724 ( 1262 PWs) bands (ev): -4.8478 -4.8478 -4.6658 -4.6658 -3.9799 -3.9799 -3.8433 -3.8433 -3.7208 -3.7208 0.4759 0.4759 4.9182 4.9182 7.5407 7.5407 7.5923 7.5923 7.8050 7.8050 14.0023 14.0023 20.2289 20.2289 20.7449 20.7449 k = 0.4649-0.2684 0.3796 ( 1250 PWs) bands (ev): -4.8500 -4.8500 -4.6657 -4.6657 -3.9804 -3.9804 -3.8433 -3.8433 -3.7199 -3.7199 0.5250 0.5250 4.8704 4.8704 7.5265 7.5265 7.5544 7.5544 7.7921 7.7921 13.9907 13.9907 20.2742 20.2742 20.7968 20.7968 k = 0.4737-0.2735 0.3868 ( 1250 PWs) bands (ev): -4.8517 -4.8517 -4.6656 -4.6656 -3.9807 -3.9807 -3.8433 -3.8433 -3.7193 -3.7193 0.5643 0.5643 4.8318 4.8318 7.5120 7.5120 7.5286 7.5286 7.7820 7.7820 13.9817 13.9817 20.3102 20.3102 20.8383 20.8383 k = 0.4825-0.2785 0.3939 ( 1242 PWs) bands (ev): -4.8529 -4.8529 -4.6656 -4.6656 -3.9810 -3.9810 -3.8433 -3.8433 -3.7188 -3.7188 0.5930 0.5930 4.8035 4.8035 7.4958 7.4958 7.5163 7.5163 7.7749 7.7749 13.9753 13.9753 20.3363 20.3363 20.8686 20.8686 k = 0.4912-0.2836 0.4011 ( 1242 PWs) bands (ev): -4.8536 -4.8536 -4.6655 -4.6655 -3.9811 -3.9811 -3.8433 -3.8433 -3.7185 -3.7185 0.6105 0.6105 4.7862 4.7862 7.4842 7.4842 7.5107 7.5107 7.7705 7.7705 13.9715 13.9715 20.3522 20.3522 20.8871 20.8871 k = 0.5000-0.2887 0.4082 ( 1234 PWs) bands (ev): -4.8539 -4.8539 -4.6655 -4.6655 -3.9812 -3.9812 -3.8433 -3.8433 -3.7184 -3.7184 0.6164 0.6164 4.7804 4.7804 7.4802 7.4802 7.5090 7.5090 7.7691 7.7691 13.9702 13.9702 20.3576 20.3576 20.8933 20.8933 k = 0.5000-0.2887 0.4082 ( 1234 PWs) bands (ev): -4.8539 -4.8539 -4.6655 -4.6655 -3.9812 -3.9812 -3.8433 -3.8433 -3.7184 -3.7184 0.6164 0.6164 4.7804 4.7804 7.4802 7.4802 7.5090 7.5090 7.7691 7.7691 13.9702 13.9702 20.3576 20.3576 20.8933 20.8933 k = 0.5000-0.2787 0.4153 ( 1240 PWs) bands (ev): -4.8537 -4.8537 -4.6655 -4.6655 -3.9812 -3.9812 -3.8433 -3.8433 -3.7185 -3.7185 0.6164 0.6164 4.7819 4.7819 7.3667 7.3667 7.5796 7.5796 7.8131 7.8131 13.9756 13.9756 20.3481 20.3481 20.8829 20.8829 k = 0.5000-0.2688 0.4223 ( 1244 PWs) bands (ev): -4.8532 -4.8532 -4.6656 -4.6656 -3.9810 -3.9810 -3.8434 -3.8434 -3.7188 -3.7188 0.6163 0.6163 4.7864 4.7864 7.2282 7.2282 7.6036 7.6036 7.9305 7.9305 13.9919 13.9919 20.3171 20.3171 20.8556 20.8556 k = 0.5000-0.2588 0.4294 ( 1244 PWs) bands (ev): -4.8523 -4.8523 -4.6656 -4.6656 -3.9809 -3.9809 -3.8434 -3.8434 -3.7192 -3.7192 0.6162 0.6162 4.7939 4.7939 7.0884 7.0884 7.5979 7.5979 8.0813 8.0813 14.0190 14.0190 20.2583 20.2583 20.8213 20.8213 k = 0.5000-0.2489 0.4364 ( 1248 PWs) bands (ev): -4.8512 -4.8512 -4.6657 -4.6657 -3.9806 -3.9806 -3.8435 -3.8435 -3.7198 -3.7198 0.6161 0.6161 4.8044 4.8044 6.9507 6.9507 7.5790 7.5790 8.2455 8.2455 14.0567 14.0567 20.1648 20.1648 20.7917 20.7917 k = 0.5000-0.2389 0.4434 ( 1248 PWs) bands (ev): -4.8497 -4.8497 -4.6658 -4.6658 -3.9803 -3.9803 -3.8436 -3.8436 -3.7206 -3.7206 0.6159 0.6159 4.8179 4.8179 6.8164 6.8164 7.5514 7.5514 8.4174 8.4174 14.1046 14.1046 20.0349 20.0349 20.7741 20.7741 k = 0.5000-0.2289 0.4505 ( 1256 PWs) bands (ev): -4.8479 -4.8479 -4.6659 -4.6659 -3.9799 -3.9799 -3.8437 -3.8437 -3.7215 -3.7215 0.6157 0.6157 4.8343 4.8343 6.6863 6.6863 7.5170 7.5170 8.5950 8.5950 14.1625 14.1625 19.8722 19.8722 20.7697 20.7697 k = 0.5000-0.2190 0.4575 ( 1256 PWs) bands (ev): -4.8458 -4.8458 -4.6660 -4.6660 -3.9795 -3.9795 -3.8438 -3.8438 -3.7226 -3.7226 0.6155 0.6155 4.8536 4.8536 6.5607 6.5607 7.4765 7.4765 8.7774 8.7774 14.2301 14.2301 19.6834 19.6834 20.7766 20.7766 k = 0.5000-0.2090 0.4646 ( 1260 PWs) bands (ev): -4.8435 -4.8435 -4.6661 -4.6661 -3.9790 -3.9790 -3.8439 -3.8439 -3.7238 -3.7238 0.6152 0.6152 4.8759 4.8759 6.4397 6.4397 7.4305 7.4305 8.9641 8.9641 14.3069 14.3069 19.4744 19.4744 20.7924 20.7924 k = 0.5000-0.1991 0.4716 ( 1256 PWs) bands (ev): -4.8409 -4.8409 -4.6663 -4.6663 -3.9785 -3.9785 -3.8440 -3.8440 -3.7252 -3.7252 0.6149 0.6149 4.9011 4.9011 6.3236 6.3236 7.3796 7.3796 9.1549 9.1549 14.3925 14.3925 19.2501 19.2501 20.8147 20.8147 k = 0.5000-0.1891 0.4786 ( 1256 PWs) bands (ev): -4.8382 -4.8382 -4.6665 -4.6665 -3.9779 -3.9779 -3.8441 -3.8441 -3.7267 -3.7267 0.6146 0.6146 4.9291 4.9291 6.2125 6.2125 7.3243 7.3243 9.3495 9.3495 14.4866 14.4866 19.0143 19.0143 20.7909 20.7909 k = 0.5000-0.1792 0.4857 ( 1254 PWs) bands (ev): -4.8352 -4.8352 -4.6667 -4.6667 -3.9773 -3.9773 -3.8441 -3.8441 -3.7283 -3.7283 0.6143 0.6143 4.9599 4.9599 6.1066 6.1066 7.2650 7.2650 9.5477 9.5477 14.5885 14.5885 18.7697 18.7697 20.6514 20.6514 k = 0.5000-0.1692 0.4927 ( 1250 PWs) bands (ev): -4.8321 -4.8321 -4.6669 -4.6669 -3.9767 -3.9767 -3.8441 -3.8441 -3.7300 -3.7300 0.6139 0.6139 4.9935 4.9935 6.0058 6.0058 7.2021 7.2021 9.7494 9.7494 14.6980 14.6980 18.5186 18.5186 20.5001 20.5001 k = 0.5000-0.1593 0.4998 ( 1254 PWs) bands (ev): -4.8289 -4.8289 -4.6671 -4.6671 -3.9761 -3.9761 -3.8440 -3.8440 -3.7318 -3.7318 0.6136 0.6136 5.0299 5.0299 5.9103 5.9103 7.1362 7.1362 9.9542 9.9542 14.8146 14.8146 18.2627 18.2627 20.3403 20.3403 k = 0.5000-0.1493 0.5068 ( 1250 PWs) bands (ev): -4.8256 -4.8256 -4.6674 -4.6674 -3.9755 -3.9755 -3.8439 -3.8439 -3.7337 -3.7337 0.6132 0.6132 5.0689 5.0689 5.8202 5.8202 7.0676 7.0676 10.1621 10.1621 14.9378 14.9378 18.0035 18.0035 20.1734 20.1734 k = 0.5000-0.1394 0.5138 ( 1250 PWs) bands (ev): -4.8222 -4.8222 -4.6677 -4.6677 -3.9748 -3.9748 -3.8437 -3.8437 -3.7357 -3.7357 0.6128 0.6128 5.1106 5.1106 5.7356 5.7356 6.9967 6.9967 10.3727 10.3727 15.0673 15.0673 17.7420 17.7420 20.0005 20.0005 k = 0.5000-0.1294 0.5209 ( 1246 PWs) bands (ev): -4.8188 -4.8188 -4.6680 -4.6680 -3.9742 -3.9742 -3.8435 -3.8435 -3.7377 -3.7377 0.6124 0.6124 5.1548 5.1548 5.6566 5.6566 6.9239 6.9239 10.5859 10.5859 15.2027 15.2027 17.4794 17.4794 19.8225 19.8225 k = 0.5000-0.1195 0.5279 ( 1246 PWs) bands (ev): -4.8155 -4.8155 -4.6683 -4.6683 -3.9736 -3.9736 -3.8432 -3.8432 -3.7397 -3.7397 0.6120 0.6120 5.2015 5.2015 5.5832 5.5832 6.8495 6.8495 10.8013 10.8013 15.3436 15.3436 17.2167 17.2167 19.6404 19.6404 k = 0.5000-0.1095 0.5349 ( 1246 PWs) bands (ev): -4.8123 -4.8123 -4.6687 -4.6687 -3.9731 -3.9731 -3.8428 -3.8428 -3.7417 -3.7417 0.6117 0.6117 5.2506 5.2506 5.5155 5.5155 6.7739 6.7739 11.0185 11.0185 15.4896 15.4896 16.9546 16.9546 19.4549 19.4549 k = 0.5000-0.0995 0.5420 ( 1246 PWs) bands (ev): -4.8091 -4.8091 -4.6690 -4.6690 -3.9725 -3.9725 -3.8424 -3.8424 -3.7438 -3.7438 0.6113 0.6113 5.3016 5.3016 5.4541 5.4541 6.6974 6.6974 11.2370 11.2370 15.6403 15.6403 16.6943 16.6943 19.2669 19.2669 k = 0.5000-0.0896 0.5490 ( 1246 PWs) bands (ev): -4.8061 -4.8061 -4.6694 -4.6694 -3.9721 -3.9721 -3.8420 -3.8420 -3.7457 -3.7457 0.6110 0.6110 5.3514 5.3514 5.4019 5.4019 6.6203 6.6203 11.4561 11.4561 15.7949 15.7949 16.4372 16.4372 19.0770 19.0770 k = 0.5000-0.0796 0.5561 ( 1246 PWs) bands (ev): -4.8033 -4.8033 -4.6697 -4.6697 -3.9716 -3.9716 -3.8415 -3.8415 -3.7476 -3.7476 0.6107 0.6107 5.3415 5.3415 5.4176 5.4176 6.5429 6.5429 11.6750 11.6750 15.9505 15.9505 16.1872 16.1872 18.8857 18.8857 k = 0.5000-0.0697 0.5631 ( 1242 PWs) bands (ev): -4.8007 -4.8007 -4.6701 -4.6701 -3.9712 -3.9712 -3.8410 -3.8410 -3.7493 -3.7493 0.6104 0.6104 5.2989 5.2989 5.4740 5.4740 6.4653 6.4653 11.8922 11.8922 15.9236 15.9236 16.1290 16.1290 18.6937 18.6937 k = 0.5000-0.0597 0.5701 ( 1238 PWs) bands (ev): -4.7984 -4.7984 -4.6704 -4.6704 -3.9709 -3.9709 -3.8405 -3.8405 -3.7509 -3.7509 0.6101 0.6101 5.2605 5.2605 5.5341 5.5341 6.3879 6.3879 12.1059 12.1059 15.6873 15.6873 16.2913 16.2913 18.5014 18.5014 k = 0.5000-0.0498 0.5772 ( 1238 PWs) bands (ev): -4.7964 -4.7964 -4.6707 -4.6707 -3.9706 -3.9706 -3.8400 -3.8400 -3.7524 -3.7524 0.6099 0.6099 5.2278 5.2278 5.5966 5.5966 6.3108 6.3108 12.3131 12.3131 15.4573 15.4573 16.4612 16.4612 18.3092 18.3092 k = 0.5000-0.0398 0.5842 ( 1236 PWs) bands (ev): -4.7947 -4.7947 -4.6709 -4.6709 -3.9703 -3.9703 -3.8396 -3.8396 -3.7536 -3.7536 0.6097 0.6097 5.2009 5.2009 5.6611 5.6611 6.2342 6.2342 12.5092 12.5092 15.2419 15.2419 16.6349 16.6349 18.1176 18.1176 k = 0.5000-0.0299 0.5913 ( 1236 PWs) bands (ev): -4.7933 -4.7933 -4.6711 -4.6711 -3.9701 -3.9701 -3.8392 -3.8392 -3.7546 -3.7546 0.6095 0.6095 5.1799 5.1799 5.7274 5.7274 6.1585 6.1585 12.6868 12.6868 15.0492 15.0492 16.8115 16.8115 17.9270 17.9270 k = 0.5000-0.0199 0.5983 ( 1236 PWs) bands (ev): -4.7923 -4.7923 -4.6713 -4.6713 -3.9700 -3.9700 -3.8389 -3.8389 -3.7553 -3.7553 0.6094 0.6094 5.1649 5.1649 5.7955 5.7955 6.0836 6.0836 12.8342 12.8342 14.8909 14.8909 16.9905 16.9905 17.7380 17.7380 k = 0.5000-0.0100 0.6053 ( 1232 PWs) bands (ev): -4.7917 -4.7917 -4.6714 -4.6714 -3.9699 -3.9699 -3.8388 -3.8388 -3.7558 -3.7558 0.6094 0.6094 5.1559 5.1559 5.8650 5.8650 6.0101 6.0101 12.9348 12.9348 14.7837 14.7837 17.1704 17.1704 17.5521 17.5521 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -4.7915 -4.7915 -4.6714 -4.6714 -3.9699 -3.9699 -3.8387 -3.8387 -3.7559 -3.7559 0.6093 0.6093 5.1529 5.1529 5.9274 5.9274 5.9463 5.9463 12.9710 12.9710 14.7453 14.7453 17.3162 17.3162 17.4044 17.4044 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -4.7915 -4.7915 -4.6714 -4.6714 -3.9699 -3.9699 -3.8387 -3.8387 -3.7559 -3.7559 0.6093 0.6093 5.1529 5.1529 5.9274 5.9274 5.9463 5.9463 12.9710 12.9710 14.7453 14.7453 17.3162 17.3162 17.4044 17.4044 k = 0.4940 0.0103 0.6124 ( 1232 PWs) bands (ev): -4.7915 -4.7915 -4.6714 -4.6714 -3.9699 -3.9699 -3.8387 -3.8387 -3.7559 -3.7559 0.6083 0.6083 5.1467 5.1467 5.8873 5.8873 5.9983 5.9983 12.9528 12.9528 14.7620 14.7620 17.2288 17.2288 17.4967 17.4967 k = 0.4881 0.0206 0.6124 ( 1234 PWs) bands (ev): -4.7916 -4.7916 -4.6714 -4.6714 -3.9698 -3.9698 -3.8389 -3.8389 -3.7557 -3.7557 0.6052 0.6052 5.1300 5.1300 5.8410 5.8410 6.0780 6.0780 12.8988 12.8988 14.8114 14.8114 17.1171 17.1171 17.6233 17.6233 k = 0.4821 0.0309 0.6124 ( 1236 PWs) bands (ev): -4.7917 -4.7917 -4.6713 -4.6713 -3.9696 -3.9696 -3.8390 -3.8390 -3.7555 -3.7555 0.6005 0.6005 5.1061 5.1061 5.7966 5.7966 6.1738 6.1738 12.8130 12.8130 14.8895 14.8895 17.0121 17.0121 17.7532 17.7532 k = 0.4762 0.0412 0.6124 ( 1240 PWs) bands (ev): -4.7918 -4.7918 -4.6713 -4.6713 -3.9694 -3.9694 -3.8393 -3.8393 -3.7552 -3.7552 0.5944 0.5944 5.0777 5.0777 5.7543 5.7543 6.2823 6.2823 12.7011 12.7011 14.9907 14.9907 16.9158 16.9158 17.8843 17.8843 k = 0.4702 0.0515 0.6124 ( 1244 PWs) bands (ev): -4.7919 -4.7919 -4.6712 -4.6712 -3.9691 -3.9691 -3.8396 -3.8396 -3.7548 -3.7548 0.5873 0.5873 5.0469 5.0469 5.7142 5.7142 6.4011 6.4011 12.5687 12.5687 15.1091 15.1091 16.8291 16.8291 18.0160 18.0160 k = 0.4643 0.0619 0.6124 ( 1241 PWs) bands (ev): -4.7921 -4.7921 -4.6711 -4.6711 -3.9688 -3.9688 -3.8400 -3.8400 -3.7543 -3.7543 0.5793 0.5793 5.0151 5.0151 5.6763 5.6763 6.5281 6.5281 12.4208 12.4208 15.2393 15.2393 16.7529 16.7529 18.1478 18.1478 k = 0.4583 0.0722 0.6124 ( 1240 PWs) bands (ev): -4.7923 -4.7923 -4.6710 -4.6710 -3.9684 -3.9684 -3.8405 -3.8405 -3.7537 -3.7537 0.5708 0.5708 4.9834 4.9834 5.6407 5.6407 6.6618 6.6618 12.2615 12.2615 15.3761 15.3761 16.6884 16.6884 18.2791 18.2791 k = 0.4524 0.0825 0.6124 ( 1245 PWs) bands (ev): -4.7926 -4.7926 -4.6709 -4.6709 -3.9680 -3.9680 -3.8410 -3.8410 -3.7531 -3.7531 0.5619 0.5619 4.9525 4.9525 5.6074 5.6074 6.8011 6.8011 12.0939 12.0939 15.5145 15.5145 16.6378 16.6378 18.4094 18.4094 k = 0.4464 0.0928 0.6124 ( 1255 PWs) bands (ev): -4.7928 -4.7928 -4.6708 -4.6708 -3.9676 -3.9676 -3.8416 -3.8416 -3.7525 -3.7525 0.5529 0.5529 4.9229 4.9229 5.5765 5.5765 6.9448 6.9448 11.9205 11.9205 15.6484 15.6484 16.6049 16.6049 18.5380 18.5380 k = 0.4405 0.1031 0.6124 ( 1255 PWs) bands (ev): -4.7931 -4.7931 -4.6707 -4.6707 -3.9671 -3.9671 -3.8422 -3.8422 -3.7518 -3.7518 0.5440 0.5440 4.8949 4.8949 5.5479 5.5479 7.0920 7.0920 11.7435 11.7435 15.7696 15.7696 16.5959 16.5959 18.6642 18.6642 k = 0.4345 0.1134 0.6124 ( 1255 PWs) bands (ev): -4.7933 -4.7933 -4.6706 -4.6706 -3.9667 -3.9667 -3.8428 -3.8428 -3.7511 -3.7511 0.5353 0.5353 4.8689 4.8689 5.5218 5.5218 7.2416 7.2416 11.5647 11.5647 15.8683 15.8683 16.6190 16.6190 18.7871 18.7871 k = 0.4286 0.1237 0.6124 ( 1253 PWs) bands (ev): -4.7936 -4.7936 -4.6705 -4.6705 -3.9662 -3.9662 -3.8434 -3.8434 -3.7505 -3.7505 0.5269 0.5269 4.8450 4.8450 5.4980 5.4980 7.3925 7.3925 11.3860 11.3860 15.9366 15.9366 16.6805 16.6805 18.9058 18.9058 k = 0.4226 0.1340 0.6124 ( 1257 PWs) bands (ev): -4.7939 -4.7939 -4.6704 -4.6704 -3.9657 -3.9657 -3.8440 -3.8440 -3.7498 -3.7498 0.5191 0.5191 4.8233 4.8233 5.4767 5.4767 7.5433 7.5433 11.2092 11.2092 15.9747 15.9747 16.7788 16.7788 19.0190 19.0190 k = 0.4167 0.1443 0.6124 ( 1259 PWs) bands (ev): -4.7941 -4.7941 -4.6704 -4.6704 -3.9652 -3.9652 -3.8445 -3.8445 -3.7492 -3.7492 0.5120 0.5120 4.8040 4.8040 5.4579 5.4579 7.6924 7.6924 11.0364 11.0364 15.9904 15.9904 16.9041 16.9041 19.1253 19.1253 k = 0.4107 0.1546 0.6124 ( 1259 PWs) bands (ev): -4.7944 -4.7944 -4.6703 -4.6703 -3.9648 -3.9648 -3.8450 -3.8450 -3.7487 -3.7487 0.5055 0.5055 4.7872 4.7872 5.4415 5.4415 7.8377 7.8377 10.8700 10.8700 15.9928 15.9928 17.0452 17.0452 19.2233 19.2233 k = 0.4048 0.1650 0.6124 ( 1253 PWs) bands (ev): -4.7946 -4.7946 -4.6702 -4.6702 -3.9644 -3.9644 -3.8455 -3.8455 -3.7482 -3.7482 0.5000 0.5000 4.7728 4.7728 5.4276 5.4276 7.9762 7.9762 10.7133 10.7133 15.9887 15.9887 17.1924 17.1924 19.3110 19.3110 k = 0.3988 0.1753 0.6124 ( 1253 PWs) bands (ev): -4.7947 -4.7947 -4.6701 -4.6701 -3.9641 -3.9641 -3.8459 -3.8459 -3.7478 -3.7478 0.4953 0.4953 4.7611 4.7611 5.4163 5.4163 8.1039 8.1039 10.5704 10.5704 15.9820 15.9820 17.3375 17.3375 19.3864 19.3864 k = 0.3929 0.1856 0.6124 ( 1252 PWs) bands (ev): -4.7949 -4.7949 -4.6701 -4.6701 -3.9639 -3.9639 -3.8462 -3.8462 -3.7474 -3.7474 0.4916 0.4916 4.7518 4.7518 5.4074 5.4074 8.2154 8.2154 10.4469 10.4469 15.9752 15.9752 17.4716 17.4716 19.4024 19.4024 k = 0.3869 0.1959 0.6124 ( 1252 PWs) bands (ev): -4.7950 -4.7950 -4.6700 -4.6700 -3.9637 -3.9637 -3.8465 -3.8465 -3.7472 -3.7472 0.4889 0.4889 4.7453 4.7453 5.4011 5.4011 8.3037 8.3037 10.3499 10.3499 15.9696 15.9696 17.5839 17.5839 19.2817 19.2817 k = 0.3810 0.2062 0.6124 ( 1250 PWs) bands (ev): -4.7950 -4.7950 -4.6700 -4.6700 -3.9635 -3.9635 -3.8466 -3.8466 -3.7471 -3.7471 0.4873 0.4873 4.7413 4.7413 5.3973 5.3973 8.3613 8.3613 10.2872 10.2872 15.9660 15.9660 17.6606 17.6606 19.1997 19.1997 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -4.7951 -4.7951 -4.6700 -4.6700 -3.9635 -3.9635 -3.8467 -3.8467 -3.7470 -3.7470 0.4868 0.4868 4.7400 4.7400 5.3960 5.3960 8.3813 8.3813 10.2654 10.2654 15.9647 15.9647 17.6883 17.6883 19.1703 19.1703 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -4.7951 -4.7951 -4.6700 -4.6700 -3.9635 -3.9635 -3.8467 -3.8467 -3.7470 -3.7470 0.4868 0.4868 4.7400 4.7400 5.3960 5.3960 8.3813 8.3813 10.2654 10.2654 15.9647 15.9647 17.6883 17.6883 19.1703 19.1703 k = 0.3689 0.2130 0.6023 ( 1250 PWs) bands (ev): -4.7904 -4.7904 -4.6705 -4.6705 -3.9616 -3.9616 -3.8468 -3.8468 -3.7492 -3.7492 0.4601 0.4601 4.6534 4.6534 5.4563 5.4563 8.4532 8.4532 10.3707 10.3707 16.1072 16.1072 17.5143 17.5143 19.1142 19.1142 k = 0.3627 0.2094 0.5923 ( 1254 PWs) bands (ev): -4.7857 -4.7857 -4.6710 -4.6710 -3.9595 -3.9595 -3.8470 -3.8470 -3.7513 -3.7513 0.4298 0.4298 4.5746 4.5746 5.5191 5.5191 8.5279 8.5279 10.4748 10.4748 16.2378 16.2378 17.3426 17.3426 19.0766 19.0766 k = 0.3566 0.2059 0.5823 ( 1250 PWs) bands (ev): -4.7810 -4.7810 -4.6715 -4.6715 -3.9574 -3.9574 -3.8471 -3.8471 -3.7534 -3.7534 0.3955 0.3955 4.5042 4.5042 5.5844 5.5844 8.6052 8.6052 10.5780 10.5780 16.3511 16.3511 17.1743 17.1743 19.0615 19.0615 k = 0.3504 0.2023 0.5722 ( 1250 PWs) bands (ev): -4.7764 -4.7764 -4.6721 -4.6721 -3.9552 -3.9552 -3.8472 -3.8472 -3.7555 -3.7555 0.3572 0.3572 4.4422 4.4422 5.6522 5.6522 8.6851 8.6851 10.6805 10.6805 16.4408 16.4408 17.0114 17.0114 18.9972 18.9972 k = 0.3443 0.1988 0.5622 ( 1250 PWs) bands (ev): -4.7718 -4.7718 -4.6726 -4.6726 -3.9528 -3.9528 -3.8473 -3.8473 -3.7576 -3.7576 0.3147 0.3147 4.3889 4.3889 5.7224 5.7224 8.7674 8.7674 10.7827 10.7827 16.4978 16.4978 16.8594 16.8594 18.8680 18.8680 k = 0.3381 0.1952 0.5521 ( 1234 PWs) bands (ev): -4.7672 -4.7672 -4.6732 -4.6732 -3.9504 -3.9504 -3.8474 -3.8474 -3.7596 -3.7596 0.2680 0.2680 4.3444 4.3444 5.7949 5.7949 8.8520 8.8520 10.8848 10.8848 16.5016 16.5016 16.7367 16.7367 18.7397 18.7397 k = 0.3320 0.1917 0.5421 ( 1234 PWs) bands (ev): -4.7627 -4.7627 -4.6737 -4.6737 -3.9479 -3.9479 -3.8474 -3.8474 -3.7615 -3.7615 0.2172 0.2172 4.3089 4.3089 5.8698 5.8698 8.9386 8.9386 10.9869 10.9869 16.4232 16.4232 16.6726 16.6726 18.6130 18.6130 k = 0.3258 0.1881 0.5321 ( 1242 PWs) bands (ev): -4.7583 -4.7583 -4.6743 -4.6743 -3.9454 -3.9454 -3.8475 -3.8475 -3.7634 -3.7634 0.1622 0.1622 4.2822 4.2822 5.9469 5.9469 9.0273 9.0273 11.0893 11.0893 16.2925 16.2925 16.6391 16.6391 18.4882 18.4882 k = 0.3197 0.1846 0.5220 ( 1244 PWs) bands (ev): -4.7541 -4.7541 -4.6748 -4.6748 -3.9428 -3.9428 -3.8475 -3.8475 -3.7652 -3.7652 0.1034 0.1034 4.2643 4.2643 6.0261 6.0261 9.1176 9.1176 11.1923 11.1923 16.1478 16.1478 16.6012 16.6012 18.3654 18.3654 k = 0.3135 0.1810 0.5120 ( 1244 PWs) bands (ev): -4.7499 -4.7499 -4.6753 -4.6753 -3.9401 -3.9401 -3.8475 -3.8475 -3.7670 -3.7670 0.0408 0.0408 4.2552 4.2552 6.1075 6.1075 9.2095 9.2095 11.2959 11.2959 16.0011 16.0011 16.5512 16.5512 18.2450 18.2450 k = 0.3074 0.1775 0.5019 ( 1254 PWs) bands (ev): -4.7459 -4.7459 -4.6758 -4.6758 -3.9374 -3.9374 -3.8475 -3.8475 -3.7687 -3.7687 -0.0253 -0.0253 4.2546 4.2546 6.1909 6.1909 9.3027 9.3027 11.4005 11.4005 15.8559 15.8559 16.4892 16.4892 18.1269 18.1269 k = 0.3012 0.1739 0.4919 ( 1254 PWs) bands (ev): -4.7419 -4.7419 -4.6763 -4.6763 -3.9347 -3.9347 -3.8474 -3.8474 -3.7704 -3.7704 -0.0945 -0.0945 4.2622 4.2622 6.2763 6.2763 9.3970 9.3970 11.5060 11.5060 15.7138 15.7138 16.4173 16.4173 18.0113 18.0113 k = 0.2951 0.1704 0.4819 ( 1252 PWs) bands (ev): -4.7382 -4.7382 -4.6768 -4.6768 -3.9319 -3.9319 -3.8473 -3.8473 -3.7719 -3.7719 -0.1667 -0.1667 4.2779 4.2779 6.3635 6.3635 9.4920 9.4920 11.6128 11.6128 15.5756 15.5756 16.3375 16.3375 17.8983 17.8983 k = 0.2889 0.1668 0.4718 ( 1252 PWs) bands (ev): -4.7345 -4.7345 -4.6772 -4.6772 -3.9291 -3.9291 -3.8472 -3.8472 -3.7735 -3.7735 -0.2413 -0.2413 4.3014 4.3014 6.4526 6.4526 9.5875 9.5875 11.7208 11.7208 15.4419 15.4419 16.2516 16.2516 17.7882 17.7882 k = 0.2828 0.1633 0.4618 ( 1252 PWs) bands (ev): -4.7311 -4.7311 -4.6776 -4.6776 -3.9263 -3.9263 -3.8470 -3.8470 -3.7749 -3.7749 -0.3182 -0.3182 4.3323 4.3323 6.5434 6.5434 9.6830 9.6830 11.8303 11.8303 15.3133 15.3133 16.1611 16.1611 17.6809 17.6809 k = 0.2766 0.1597 0.4518 ( 1252 PWs) bands (ev): -4.7278 -4.7278 -4.6779 -4.6779 -3.9234 -3.9234 -3.8469 -3.8469 -3.7763 -3.7763 -0.3969 -0.3969 4.3704 4.3704 6.6359 6.6359 9.7781 9.7781 11.9412 11.9412 15.1904 15.1904 16.0671 16.0671 17.5767 17.5767 k = 0.2705 0.1562 0.4417 ( 1256 PWs) bands (ev): -4.7246 -4.7246 -4.6782 -4.6782 -3.9206 -3.9206 -3.8467 -3.8467 -3.7777 -3.7777 -0.4771 -0.4771 4.4153 4.4153 6.7300 6.7300 9.8724 9.8724 12.0537 12.0537 15.0737 15.0737 15.9705 15.9705 17.4755 17.4755 k = 0.2643 0.1526 0.4317 ( 1256 PWs) bands (ev): -4.7216 -4.7216 -4.6785 -4.6785 -3.9178 -3.9178 -3.8464 -3.8464 -3.7790 -3.7790 -0.5585 -0.5585 4.4669 4.4669 6.8254 6.8254 9.9654 9.9654 12.1679 12.1679 14.9638 14.9638 15.8720 15.8720 17.3776 17.3776 k = 0.2582 0.1491 0.4216 ( 1258 PWs) bands (ev): -4.7188 -4.7188 -4.6787 -4.6787 -3.9150 -3.9150 -3.8461 -3.8461 -3.7802 -3.7802 -0.6407 -0.6407 4.5247 4.5247 6.9223 6.9223 10.0564 10.0564 12.2838 12.2838 14.8613 14.8613 15.7722 15.7722 17.2831 17.2831 k = 0.2520 0.1455 0.4116 ( 1264 PWs) bands (ev): -4.7161 -4.7161 -4.6788 -4.6788 -3.9122 -3.9122 -3.8458 -3.8458 -3.7815 -3.7815 -0.7235 -0.7235 4.5885 4.5885 7.0204 7.0204 10.1448 10.1448 12.4014 12.4014 14.7670 14.7670 15.6716 15.6716 17.1921 17.1921 k = 0.2459 0.1420 0.4016 ( 1264 PWs) bands (ev): -4.7136 -4.7136 -4.6789 -4.6789 -3.9095 -3.9095 -3.8455 -3.8455 -3.7827 -3.7827 -0.8065 -0.8065 4.6580 4.6580 7.1196 7.1196 10.2299 10.2299 12.5207 12.5207 14.6816 14.6816 15.5704 15.5704 17.1046 17.1046 k = 0.2398 0.1384 0.3915 ( 1259 PWs) bands (ev): -4.7113 -4.7113 -4.6789 -4.6789 -3.9068 -3.9068 -3.8451 -3.8451 -3.7839 -3.7839 -0.8895 -0.8895 4.7331 4.7331 7.2199 7.2199 10.3110 10.3110 12.6417 12.6417 14.6060 14.6060 15.4690 15.4690 17.0209 17.0209 k = 0.2336 0.1349 0.3815 ( 1261 PWs) bands (ev): -4.7091 -4.7091 -4.6789 -4.6789 -3.9041 -3.9041 -3.8447 -3.8447 -3.7850 -3.7850 -0.9723 -0.9723 4.8134 4.8134 7.3211 7.3211 10.3873 10.3873 12.7643 12.7643 14.5410 14.5410 15.3676 15.3676 16.9410 16.9410 k = 0.2275 0.1313 0.3714 ( 1253 PWs) bands (ev): -4.7070 -4.7070 -4.6789 -4.6789 -3.9014 -3.9014 -3.8443 -3.8443 -3.7862 -3.7862 -1.0546 -1.0546 4.8988 4.8988 7.4230 7.4230 10.4579 10.4579 12.8883 12.8883 14.4874 14.4874 15.2665 15.2665 16.8651 16.8651 k = 0.2213 0.1278 0.3614 ( 1249 PWs) bands (ev): -4.7051 -4.7051 -4.6787 -4.6787 -3.8988 -3.8988 -3.8438 -3.8438 -3.7873 -3.7873 -1.1362 -1.1362 4.9890 4.9890 7.5255 7.5255 10.5220 10.5220 13.0137 13.0137 14.4463 14.4463 15.1657 15.1657 16.7933 16.7933 k = 0.2152 0.1242 0.3514 ( 1251 PWs) bands (ev): -4.7033 -4.7033 -4.6786 -4.6786 -3.8962 -3.8962 -3.8434 -3.8434 -3.7885 -3.7885 -1.2169 -1.2169 5.0839 5.0839 7.6285 7.6285 10.5788 10.5788 13.1400 13.1400 14.4184 14.4184 15.0657 15.0657 16.7258 16.7258 k = 0.2090 0.1207 0.3413 ( 1259 PWs) bands (ev): -4.7017 -4.7017 -4.6784 -4.6784 -3.8937 -3.8937 -3.8429 -3.8429 -3.7896 -3.7896 -1.2965 -1.2965 5.1833 5.1833 7.7318 7.7318 10.6278 10.6278 13.2668 13.2668 14.4045 14.4045 14.9667 14.9667 16.6626 16.6626 k = 0.2029 0.1171 0.3313 ( 1259 PWs) bands (ev): -4.7001 -4.7001 -4.6782 -4.6782 -3.8912 -3.8912 -3.8424 -3.8424 -3.7908 -3.7908 -1.3749 -1.3749 5.2870 5.2870 7.8352 7.8352 10.6683 10.6683 13.3934 13.3934 14.4052 14.4052 14.8694 14.8694 16.6040 16.6040 k = 0.1967 0.1136 0.3212 ( 1259 PWs) bands (ev): -4.6987 -4.6987 -4.6780 -4.6780 -3.8888 -3.8888 -3.8419 -3.8419 -3.7920 -3.7920 -1.4519 -1.4519 5.3948 5.3948 7.9386 7.9386 10.7000 10.7000 13.5185 13.5185 14.4211 14.4211 14.7747 14.7747 16.5500 16.5500 k = 0.1906 0.1100 0.3112 ( 1259 PWs) bands (ev): -4.6974 -4.6974 -4.6777 -4.6777 -3.8863 -3.8863 -3.8414 -3.8414 -3.7932 -3.7932 -1.5274 -1.5274 5.5067 5.5067 8.0417 8.0417 10.7229 10.7229 13.6401 13.6402 14.4521 14.4521 14.6848 14.6848 16.5009 16.5009 k = 0.1844 0.1065 0.3012 ( 1257 PWs) bands (ev): -4.6962 -4.6962 -4.6775 -4.6775 -3.8840 -3.8840 -3.8409 -3.8409 -3.7944 -3.7944 -1.6013 -1.6013 5.6224 5.6224 8.1444 8.1444 10.7370 10.7370 13.7543 13.7543 14.4973 14.4973 14.6043 14.6043 16.4568 16.4568 k = 0.1783 0.1029 0.2911 ( 1257 PWs) bands (ev): -4.6950 -4.6950 -4.6772 -4.6772 -3.8816 -3.8816 -3.8404 -3.8404 -3.7956 -3.7956 -1.6734 -1.6734 5.7418 5.7418 8.2466 8.2466 10.7427 10.7427 13.8531 13.8531 14.5244 14.5244 14.5728 14.5728 16.4179 16.4179 k = 0.1721 0.0994 0.2811 ( 1263 PWs) bands (ev): -4.6940 -4.6940 -4.6770 -4.6770 -3.8793 -3.8793 -3.8399 -3.8399 -3.7969 -3.7969 -1.7436 -1.7436 5.8649 5.8649 8.3478 8.3478 10.7405 10.7405 13.9216 13.9216 14.4946 14.4946 14.6433 14.6433 16.3844 16.3844 k = 0.1660 0.0958 0.2711 ( 1263 PWs) bands (ev): -4.6929 -4.6929 -4.6768 -4.6768 -3.8770 -3.8770 -3.8395 -3.8395 -3.7981 -3.7981 -1.8119 -1.8119 5.9914 5.9914 8.4480 8.4480 10.7312 10.7312 13.9412 13.9412 14.5073 14.5073 14.7340 14.7340 16.3563 16.3563 k = 0.1598 0.0923 0.2610 ( 1263 PWs) bands (ev): -4.6920 -4.6920 -4.6766 -4.6766 -3.8748 -3.8748 -3.8390 -3.8390 -3.7994 -3.7994 -1.8782 -1.8782 6.1213 6.1213 8.5469 8.5469 10.7155 10.7155 13.9091 13.9091 14.5707 14.5707 14.8386 14.8386 16.3340 16.3340 k = 0.1537 0.0887 0.2510 ( 1259 PWs) bands (ev): -4.6911 -4.6911 -4.6764 -4.6764 -3.8726 -3.8726 -3.8386 -3.8386 -3.8007 -3.8007 -1.9423 -1.9423 6.2543 6.2543 8.6443 8.6443 10.6943 10.6943 13.8418 13.8418 14.6689 14.6689 14.9552 14.9552 16.3176 16.3176 k = 0.1475 0.0852 0.2409 ( 1259 PWs) bands (ev): -4.6902 -4.6902 -4.6763 -4.6763 -3.8704 -3.8704 -3.8383 -3.8383 -3.8020 -3.8020 -2.0042 -2.0042 6.3905 6.3905 8.7399 8.7399 10.6685 10.6685 13.7548 13.7548 14.7866 14.7866 15.0824 15.0824 16.3073 16.3073 k = 0.1414 0.0816 0.2309 ( 1261 PWs) bands (ev): -4.6894 -4.6894 -4.6763 -4.6763 -3.8683 -3.8683 -3.8379 -3.8379 -3.8033 -3.8033 -2.0639 -2.0639 6.5297 6.5297 8.8335 8.8335 10.6390 10.6390 13.6565 13.6565 14.9157 14.9157 15.2185 15.2185 16.3033 16.3033 k = 0.1352 0.0781 0.2209 ( 1269 PWs) bands (ev): -4.6886 -4.6886 -4.6762 -4.6762 -3.8663 -3.8663 -3.8376 -3.8376 -3.8047 -3.8047 -2.1213 -2.1213 6.6718 6.6718 8.9248 8.9248 10.6065 10.6065 13.5510 13.5510 15.0523 15.0523 15.3622 15.3622 16.3058 16.3058 k = 0.1291 0.0745 0.2108 ( 1265 PWs) bands (ev): -4.6879 -4.6879 -4.6762 -4.6762 -3.8642 -3.8642 -3.8374 -3.8374 -3.8060 -3.8060 -2.1763 -2.1763 6.8165 6.8165 9.0135 9.0135 10.5719 10.5719 13.4402 13.4402 15.1946 15.1946 15.5121 15.5121 16.3150 16.3150 k = 0.1230 0.0710 0.2008 ( 1265 PWs) bands (ev): -4.6872 -4.6872 -4.6763 -4.6763 -3.8622 -3.8622 -3.8372 -3.8372 -3.8073 -3.8073 -2.2289 -2.2289 6.9639 6.9639 9.0995 9.0995 10.5358 10.5358 13.3250 13.3250 15.3413 15.3413 15.6672 15.6672 16.3311 16.3311 k = 0.1168 0.0674 0.1907 ( 1265 PWs) bands (ev): -4.6865 -4.6865 -4.6764 -4.6764 -3.8603 -3.8603 -3.8370 -3.8370 -3.8086 -3.8086 -2.2790 -2.2790 7.1138 7.1138 9.1824 9.1824 10.4989 10.4989 13.2061 13.2061 15.4916 15.4916 15.8266 15.8266 16.3544 16.3544 k = 0.1107 0.0639 0.1807 ( 1265 PWs) bands (ev): -4.6859 -4.6859 -4.6765 -4.6765 -3.8584 -3.8584 -3.8369 -3.8369 -3.8099 -3.8099 -2.3267 -2.3267 7.2661 7.2661 9.2619 9.2619 10.4619 10.4619 13.0835 13.0835 15.6446 15.6446 15.9895 15.9895 16.3851 16.3851 k = 0.1045 0.0603 0.1707 ( 1265 PWs) bands (ev): -4.6853 -4.6853 -4.6766 -4.6766 -3.8566 -3.8566 -3.8368 -3.8368 -3.8112 -3.8112 -2.3719 -2.3719 7.4205 7.4205 9.3379 9.3379 10.4251 10.4251 12.9575 12.9575 15.7993 15.7993 16.1553 16.1553 16.4237 16.4237 k = 0.0984 0.0568 0.1606 ( 1271 PWs) bands (ev): -4.6847 -4.6847 -4.6768 -4.6768 -3.8548 -3.8548 -3.8368 -3.8368 -3.8124 -3.8124 -2.4145 -2.4145 7.5770 7.5770 9.4100 9.4100 10.3892 10.3892 12.8281 12.8281 15.9545 15.9545 16.3231 16.3231 16.4707 16.4707 k = 0.0922 0.0532 0.1506 ( 1273 PWs) bands (ev): -4.6842 -4.6842 -4.6771 -4.6771 -3.8531 -3.8531 -3.8368 -3.8368 -3.8137 -3.8137 -2.4546 -2.4546 7.7354 7.7354 9.4781 9.4781 10.3546 10.3546 12.6954 12.6954 16.1088 16.1088 16.4908 16.4908 16.5286 16.5286 k = 0.0861 0.0497 0.1405 ( 1273 PWs) bands (ev): -4.6837 -4.6837 -4.6773 -4.6773 -3.8515 -3.8515 -3.8369 -3.8369 -3.8148 -3.8148 -2.4922 -2.4922 7.8955 7.8955 9.5417 9.5417 10.3218 10.3218 12.5595 12.5595 16.2597 16.2597 16.5902 16.5902 16.6661 16.6661 k = 0.0799 0.0461 0.1305 ( 1265 PWs) bands (ev): -4.6832 -4.6832 -4.6776 -4.6776 -3.8500 -3.8500 -3.8370 -3.8370 -3.8159 -3.8159 -2.5271 -2.5271 8.0570 8.0570 9.6008 9.6008 10.2911 10.2911 12.4203 12.4203 16.4039 16.4039 16.6693 16.6693 16.8367 16.8367 k = 0.0738 0.0426 0.1205 ( 1265 PWs) bands (ev): -4.6827 -4.6827 -4.6779 -4.6779 -3.8485 -3.8485 -3.8372 -3.8372 -3.8170 -3.8170 -2.5595 -2.5595 8.2199 8.2199 9.6550 9.6550 10.2630 10.2630 12.2781 12.2781 16.5374 16.5374 16.7629 16.7629 17.0073 17.0073 k = 0.0676 0.0390 0.1104 ( 1257 PWs) bands (ev): -4.6823 -4.6823 -4.6781 -4.6781 -3.8472 -3.8472 -3.8374 -3.8374 -3.8179 -3.8179 -2.5892 -2.5892 8.3836 8.3836 9.7042 9.7042 10.2379 10.2379 12.1329 12.1329 16.6576 16.6576 16.8721 16.8721 17.1764 17.1764 k = 0.0615 0.0355 0.1004 ( 1257 PWs) bands (ev): -4.6820 -4.6820 -4.6784 -4.6784 -3.8459 -3.8459 -3.8377 -3.8377 -3.8188 -3.8188 -2.6164 -2.6164 8.5480 8.5480 9.7481 9.7481 10.2162 10.2162 11.9850 11.9850 16.7670 16.7670 16.9920 16.9920 17.3421 17.3421 k = 0.0553 0.0319 0.0904 ( 1251 PWs) bands (ev): -4.6816 -4.6816 -4.6787 -4.6787 -3.8448 -3.8448 -3.8379 -3.8379 -3.8196 -3.8196 -2.6409 -2.6409 8.7125 8.7125 9.7866 9.7866 10.1983 10.1983 11.8345 11.8345 16.8709 16.8709 17.1148 17.1148 17.5018 17.5018 k = 0.0492 0.0284 0.0803 ( 1251 PWs) bands (ev): -4.6813 -4.6813 -4.6790 -4.6790 -3.8437 -3.8437 -3.8382 -3.8382 -3.8204 -3.8204 -2.6629 -2.6629 8.8763 8.8763 9.8200 9.8200 10.1844 10.1844 11.6818 11.6818 16.9732 16.9732 17.2328 17.2328 17.6512 17.6512 k = 0.0430 0.0248 0.0703 ( 1247 PWs) bands (ev): -4.6811 -4.6811 -4.6792 -4.6792 -3.8428 -3.8428 -3.8385 -3.8385 -3.8210 -3.8210 -2.6822 -2.6822 9.0386 9.0386 9.8488 9.8488 10.1746 10.1746 11.5273 11.5273 17.0757 17.0757 17.3403 17.3403 17.6879 17.6879 k = 0.0369 0.0213 0.0602 ( 1243 PWs) bands (ev): -4.6808 -4.6808 -4.6795 -4.6795 -3.8420 -3.8420 -3.8387 -3.8387 -3.8215 -3.8215 -2.6990 -2.6990 9.1975 9.1975 9.8746 9.8746 10.1686 10.1686 11.3717 11.3717 17.1785 17.1785 17.4326 17.4326 17.6736 17.6736 k = 0.0307 0.0177 0.0502 ( 1243 PWs) bands (ev): -4.6806 -4.6806 -4.6797 -4.6797 -3.8413 -3.8413 -3.8390 -3.8390 -3.8220 -3.8220 -2.7132 -2.7132 9.3499 9.3499 9.9002 9.9002 10.1658 10.1658 11.2156 11.2156 17.2804 17.2804 17.5062 17.5062 17.6621 17.6621 k = 0.0246 0.0142 0.0402 ( 1243 PWs) bands (ev): -4.6805 -4.6805 -4.6799 -4.6799 -3.8407 -3.8407 -3.8392 -3.8392 -3.8224 -3.8224 -2.7248 -2.7248 9.4896 9.4896 9.9315 9.9315 10.1655 10.1655 11.0607 11.0607 17.3787 17.3787 17.5594 17.5594 17.6543 17.6543 k = 0.0184 0.0106 0.0301 ( 1243 PWs) bands (ev): -4.6804 -4.6804 -4.6800 -4.6800 -3.8403 -3.8403 -3.8394 -3.8394 -3.8227 -3.8227 -2.7338 -2.7338 9.6055 9.6055 9.9780 9.9780 10.1665 10.1665 10.9094 10.9094 17.4692 17.4692 17.5921 17.5921 17.6519 17.6519 k = 0.0123 0.0071 0.0201 ( 1243 PWs) bands (ev): -4.6803 -4.6803 -4.6801 -4.6801 -3.8399 -3.8399 -3.8396 -3.8396 -3.8229 -3.8229 -2.7402 -2.7402 9.6845 9.6845 10.0481 10.0481 10.1679 10.1679 10.7675 10.7675 17.5446 17.5446 17.6068 17.6068 17.6564 17.6564 k = 0.0061 0.0035 0.0100 ( 1243 PWs) bands (ev): -4.6802 -4.6802 -4.6802 -4.6802 -3.8397 -3.8397 -3.8396 -3.8396 -3.8230 -3.8230 -2.7441 -2.7441 9.7252 9.7252 10.1285 10.1285 10.1691 10.1691 10.6503 10.6503 17.5948 17.5948 17.6109 17.6109 17.6646 17.6646 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -4.6802 -4.6802 -4.6802 -4.6802 -3.8397 -3.8397 -3.8397 -3.8397 -3.8230 -3.8230 -2.7454 -2.7454 9.7371 9.7371 10.1695 10.1695 10.1695 10.1695 10.5986 10.5986 17.6116 17.6116 17.6116 17.6116 17.6693 17.6693 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -4.6802 -4.6802 -4.6802 -4.6802 -3.8397 -3.8397 -3.8397 -3.8397 -3.8230 -3.8230 -2.7454 -2.7454 9.7371 9.7371 10.1695 10.1695 10.1695 10.1695 10.5986 10.5986 17.6116 17.6116 17.6116 17.6116 17.6693 17.6693 k = 0.0100 0.0058 0.0041 ( 1243 PWs) bands (ev): -4.6802 -4.6802 -4.6802 -4.6802 -3.8397 -3.8397 -3.8396 -3.8396 -3.8230 -3.8230 -2.7441 -2.7441 9.7252 9.7252 10.1283 10.1283 10.1697 10.1697 10.6498 10.6498 17.5936 17.5936 17.6123 17.6123 17.6646 17.6646 k = 0.0200 0.0115 0.0082 ( 1243 PWs) bands (ev): -4.6803 -4.6803 -4.6801 -4.6801 -3.8399 -3.8399 -3.8395 -3.8395 -3.8229 -3.8229 -2.7403 -2.7403 9.6839 9.6839 10.0485 10.0485 10.1702 10.1702 10.7654 10.7654 17.5396 17.5396 17.6139 17.6139 17.6555 17.6555 k = 0.0300 0.0173 0.0122 ( 1243 PWs) bands (ev): -4.6804 -4.6804 -4.6800 -4.6800 -3.8403 -3.8403 -3.8394 -3.8394 -3.8227 -3.8227 -2.7339 -2.7339 9.6020 9.6020 9.9819 9.9819 10.1710 10.1710 10.9045 10.9045 17.4585 17.4585 17.6159 17.6159 17.6422 17.6422 k = 0.0400 0.0231 0.0163 ( 1243 PWs) bands (ev): -4.6805 -4.6805 -4.6798 -4.6798 -3.8407 -3.8407 -3.8392 -3.8392 -3.8224 -3.8224 -2.7250 -2.7250 9.4809 9.4809 9.9427 9.9427 10.1721 10.1721 11.0516 11.0516 17.3612 17.3612 17.6169 17.6169 17.6201 17.6201 k = 0.0500 0.0289 0.0204 ( 1243 PWs) bands (ev): -4.6807 -4.6807 -4.6796 -4.6796 -3.8413 -3.8413 -3.8389 -3.8389 -3.8220 -3.8220 -2.7135 -2.7135 9.3343 9.3343 9.9227 9.9227 10.1736 10.1736 11.2008 11.2008 17.2552 17.2552 17.5844 17.5844 17.6146 17.6146 k = 0.0600 0.0346 0.0245 ( 1243 PWs) bands (ev): -4.6809 -4.6809 -4.6794 -4.6794 -3.8421 -3.8421 -3.8385 -3.8385 -3.8216 -3.8216 -2.6995 -2.6995 9.1739 9.1739 9.9131 9.9131 10.1755 10.1755 11.3494 11.3494 17.1452 17.1452 17.5313 17.5313 17.6055 17.6055 k = 0.0700 0.0404 0.0286 ( 1249 PWs) bands (ev): -4.6812 -4.6812 -4.6791 -4.6791 -3.8429 -3.8429 -3.8381 -3.8381 -3.8211 -3.8211 -2.6829 -2.6829 9.0057 9.0057 9.9089 9.9089 10.1777 10.1777 11.4958 11.4958 17.0341 17.0341 17.4602 17.4602 17.5851 17.5851 k = 0.0800 0.0462 0.0327 ( 1249 PWs) bands (ev): -4.6815 -4.6815 -4.6788 -4.6788 -3.8439 -3.8439 -3.8377 -3.8377 -3.8205 -3.8205 -2.6639 -2.6639 8.8329 8.8329 9.9079 9.9079 10.1804 10.1804 11.6389 11.6389 16.9242 16.9242 17.3730 17.3730 17.5478 17.5478 k = 0.0900 0.0520 0.0367 ( 1249 PWs) bands (ev): -4.6818 -4.6818 -4.6784 -4.6784 -3.8451 -3.8451 -3.8371 -3.8371 -3.8198 -3.8198 -2.6423 -2.6423 8.6571 8.6571 9.9091 9.9091 10.1834 10.1834 11.7778 11.7778 16.8166 16.8166 17.2732 17.2732 17.4895 17.4895 k = 0.1000 0.0577 0.0408 ( 1255 PWs) bands (ev): -4.6822 -4.6822 -4.6781 -4.6781 -3.8463 -3.8463 -3.8366 -3.8366 -3.8190 -3.8190 -2.6183 -2.6183 8.4794 8.4794 9.9119 9.9119 10.1869 10.1869 11.9117 11.9117 16.7122 16.7122 17.1642 17.1642 17.4097 17.4097 k = 0.1100 0.0635 0.0449 ( 1261 PWs) bands (ev): -4.6826 -4.6826 -4.6777 -4.6777 -3.8477 -3.8477 -3.8359 -3.8359 -3.8182 -3.8182 -2.5917 -2.5917 8.3003 8.3003 9.9158 9.9158 10.1908 10.1908 12.0400 12.0400 16.6117 16.6117 17.0489 17.0489 17.3112 17.3112 k = 0.1200 0.0693 0.0490 ( 1267 PWs) bands (ev): -4.6830 -4.6830 -4.6772 -4.6772 -3.8492 -3.8492 -3.8352 -3.8352 -3.8174 -3.8174 -2.5627 -2.5627 8.1205 8.1205 9.9208 9.9208 10.1953 10.1953 12.1618 12.1618 16.5151 16.5151 16.9301 16.9301 17.1988 17.1988 k = 0.1300 0.0751 0.0531 ( 1267 PWs) bands (ev): -4.6835 -4.6835 -4.6768 -4.6768 -3.8508 -3.8508 -3.8345 -3.8345 -3.8164 -3.8164 -2.5312 -2.5312 7.9402 7.9402 9.9267 9.9267 10.2002 10.2002 12.2764 12.2764 16.4221 16.4221 16.8102 16.8102 17.0767 17.0767 k = 0.1400 0.0808 0.0572 ( 1266 PWs) bands (ev): -4.6840 -4.6840 -4.6763 -4.6763 -3.8525 -3.8525 -3.8337 -3.8337 -3.8155 -3.8155 -2.4974 -2.4974 7.7597 7.7597 9.9334 9.9334 10.2057 10.2057 12.3832 12.3832 16.3320 16.3320 16.6916 16.6916 16.9484 16.9484 k = 0.1500 0.0866 0.0612 ( 1266 PWs) bands (ev): -4.6846 -4.6846 -4.6758 -4.6758 -3.8542 -3.8542 -3.8328 -3.8328 -3.8144 -3.8144 -2.4611 -2.4611 7.5792 7.5792 9.9410 9.9410 10.2117 10.2117 12.4815 12.4815 16.2431 16.2431 16.5772 16.5772 16.8162 16.8162 k = 0.1600 0.0924 0.0653 ( 1266 PWs) bands (ev): -4.6852 -4.6852 -4.6753 -4.6753 -3.8561 -3.8561 -3.8319 -3.8319 -3.8133 -3.8133 -2.4225 -2.4225 7.3991 7.3991 9.9494 9.9494 10.2183 10.2183 12.5707 12.5707 16.1528 16.1528 16.4704 16.4704 16.6819 16.6819 k = 0.1700 0.0981 0.0694 ( 1272 PWs) bands (ev): -4.6858 -4.6858 -4.6748 -4.6748 -3.8581 -3.8581 -3.8309 -3.8309 -3.8122 -3.8122 -2.3815 -2.3815 7.2194 7.2194 9.9586 9.9586 10.2255 10.2255 12.6504 12.6504 16.0582 16.0582 16.3748 16.3748 16.5468 16.5468 k = 0.1800 0.1039 0.0735 ( 1272 PWs) bands (ev): -4.6865 -4.6865 -4.6743 -4.6743 -3.8601 -3.8601 -3.8299 -3.8299 -3.8110 -3.8110 -2.3383 -2.3383 7.0405 7.0405 9.9685 9.9685 10.2333 10.2333 12.7201 12.7201 15.9571 15.9571 16.2929 16.2929 16.4116 16.4116 k = 0.1900 0.1097 0.0776 ( 1266 PWs) bands (ev): -4.6872 -4.6872 -4.6738 -4.6738 -3.8622 -3.8622 -3.8289 -3.8289 -3.8098 -3.8098 -2.2928 -2.2928 6.8624 6.8624 9.9792 9.9792 10.2417 10.2417 12.7796 12.7796 15.8491 15.8491 16.2250 16.2250 16.2771 16.2771 k = 0.2000 0.1155 0.0816 ( 1266 PWs) bands (ev): -4.6879 -4.6879 -4.6733 -4.6733 -3.8643 -3.8643 -3.8278 -3.8278 -3.8086 -3.8086 -2.2451 -2.2451 6.6853 6.6853 9.9906 9.9906 10.2508 10.2508 12.8289 12.8289 15.7358 15.7358 16.1437 16.1437 16.1695 16.1695 k = 0.2100 0.1212 0.0857 ( 1266 PWs) bands (ev): -4.6886 -4.6886 -4.6728 -4.6728 -3.8665 -3.8665 -3.8266 -3.8266 -3.8074 -3.8074 -2.1954 -2.1954 6.5095 6.5095 10.0029 10.0029 10.2605 10.2605 12.8683 12.8683 15.6190 15.6190 16.0119 16.0119 16.1239 16.1239 k = 0.2200 0.1270 0.0898 ( 1260 PWs) bands (ev): -4.6894 -4.6894 -4.6723 -4.6723 -3.8687 -3.8687 -3.8255 -3.8255 -3.8061 -3.8061 -2.1435 -2.1435 6.3350 6.3350 10.0158 10.0158 10.2709 10.2709 12.8981 12.8981 15.5005 15.5005 15.8820 15.8820 16.0859 16.0859 k = 0.2300 0.1328 0.0939 ( 1260 PWs) bands (ev): -4.6902 -4.6902 -4.6719 -4.6719 -3.8710 -3.8710 -3.8243 -3.8243 -3.8048 -3.8048 -2.0897 -2.0897 6.1621 6.1621 10.0295 10.0295 10.2820 10.2820 12.9188 12.9188 15.3817 15.3817 15.7542 15.7542 16.0537 16.0537 k = 0.2400 0.1386 0.0980 ( 1260 PWs) bands (ev): -4.6910 -4.6910 -4.6714 -4.6714 -3.8732 -3.8732 -3.8231 -3.8231 -3.8035 -3.8035 -2.0340 -2.0340 5.9909 5.9909 10.0439 10.0439 10.2937 10.2937 12.9312 12.9312 15.2635 15.2635 15.6288 15.6288 16.0257 16.0257 k = 0.2500 0.1443 0.1021 ( 1260 PWs) bands (ev): -4.6918 -4.6918 -4.6710 -4.6710 -3.8755 -3.8755 -3.8219 -3.8219 -3.8022 -3.8022 -1.9765 -1.9765 5.8216 5.8216 10.0590 10.0590 10.3060 10.3060 12.9360 12.9360 15.1466 15.1466 15.5060 15.5060 16.0005 16.0005 k = 0.2600 0.1501 0.1061 ( 1257 PWs) bands (ev): -4.6926 -4.6926 -4.6705 -4.6705 -3.8778 -3.8778 -3.8206 -3.8206 -3.8009 -3.8009 -1.9172 -1.9172 5.6544 5.6544 10.0748 10.0748 10.3190 10.3190 12.9342 12.9342 15.0315 15.0315 15.3860 15.3860 15.9774 15.9774 k = 0.2700 0.1559 0.1102 ( 1251 PWs) bands (ev): -4.6935 -4.6935 -4.6701 -4.6701 -3.8801 -3.8801 -3.8193 -3.8193 -3.7996 -3.7996 -1.8564 -1.8564 5.4895 5.4895 10.0912 10.0912 10.3325 10.3325 12.9266 12.9266 14.9186 14.9186 15.2689 15.2689 15.9554 15.9554 k = 0.2800 0.1617 0.1143 ( 1254 PWs) bands (ev): -4.6943 -4.6943 -4.6697 -4.6697 -3.8823 -3.8823 -3.8181 -3.8181 -3.7983 -3.7983 -1.7942 -1.7942 5.3271 5.3271 10.1082 10.1082 10.3466 10.3466 12.9141 12.9141 14.8081 14.8081 15.1550 15.1550 15.9342 15.9342 k = 0.2900 0.1674 0.1184 ( 1254 PWs) bands (ev): -4.6952 -4.6952 -4.6693 -4.6693 -3.8845 -3.8845 -3.8168 -3.8168 -3.7970 -3.7970 -1.7306 -1.7306 5.1675 5.1675 10.1258 10.1258 10.3613 10.3613 12.8976 12.8976 14.7004 14.7004 15.0443 15.0443 15.9134 15.9134 k = 0.3000 0.1732 0.1225 ( 1266 PWs) bands (ev): -4.6960 -4.6960 -4.6690 -4.6690 -3.8867 -3.8867 -3.8156 -3.8156 -3.7957 -3.7957 -1.6659 -1.6659 5.0107 5.0107 10.1438 10.1438 10.3764 10.3764 12.8778 12.8778 14.5957 14.5957 14.9371 14.9371 15.8928 15.8928 k = 0.3100 0.1790 0.1266 ( 1266 PWs) bands (ev): -4.6969 -4.6969 -4.6687 -4.6687 -3.8889 -3.8889 -3.8144 -3.8144 -3.7944 -3.7944 -1.6003 -1.6003 4.8571 4.8571 10.1623 10.1623 10.3919 10.3919 12.8554 12.8554 14.4943 14.4943 14.8334 14.8334 15.8724 15.8724 k = 0.3200 0.1848 0.1306 ( 1272 PWs) bands (ev): -4.6977 -4.6977 -4.6684 -4.6684 -3.8909 -3.8909 -3.8131 -3.8131 -3.7932 -3.7932 -1.5339 -1.5339 4.7070 4.7070 10.1811 10.1811 10.4077 10.4077 12.8313 12.8313 14.3963 14.3963 14.7335 14.7335 15.8521 15.8521 k = 0.3300 0.1905 0.1347 ( 1272 PWs) bands (ev): -4.6985 -4.6985 -4.6681 -4.6681 -3.8930 -3.8930 -3.8119 -3.8119 -3.7920 -3.7920 -1.4671 -1.4671 4.5607 4.5607 10.2002 10.2002 10.4238 10.4238 12.8058 12.8058 14.3019 14.3019 14.6375 14.6375 15.8320 15.8320 k = 0.3400 0.1963 0.1388 ( 1272 PWs) bands (ev): -4.6993 -4.6993 -4.6678 -4.6678 -3.8949 -3.8949 -3.8108 -3.8108 -3.7909 -3.7909 -1.4000 -1.4000 4.4184 4.4184 10.2194 10.2194 10.4401 10.4401 12.7796 12.7796 14.2114 14.2114 14.5455 14.5455 15.8122 15.8122 k = 0.3500 0.2021 0.1429 ( 1260 PWs) bands (ev): -4.7001 -4.7001 -4.6675 -4.6675 -3.8968 -3.8968 -3.8096 -3.8096 -3.7897 -3.7897 -1.3330 -1.3330 4.2805 4.2805 10.2387 10.2387 10.4564 10.4564 12.7531 12.7531 14.1249 14.1249 14.4578 14.4578 15.7929 15.7929 k = 0.3600 0.2078 0.1470 ( 1260 PWs) bands (ev): -4.7008 -4.7008 -4.6673 -4.6673 -3.8986 -3.8986 -3.8085 -3.8085 -3.7887 -3.7887 -1.2664 -1.2664 4.1475 4.1475 10.2578 10.2578 10.4727 10.4727 12.7267 12.7267 14.0426 14.0426 14.3744 14.3744 15.7742 15.7742 k = 0.3700 0.2136 0.1511 ( 1254 PWs) bands (ev): -4.7015 -4.7015 -4.6671 -4.6671 -3.9003 -3.9003 -3.8075 -3.8075 -3.7876 -3.7876 -1.2006 -1.2006 4.0196 4.0196 10.2768 10.2768 10.4888 10.4888 12.7007 12.7007 13.9648 13.9648 14.2957 14.2957 15.7563 15.7563 k = 0.3800 0.2194 0.1551 ( 1254 PWs) bands (ev): -4.7022 -4.7022 -4.6669 -4.6669 -3.9019 -3.9019 -3.8065 -3.8065 -3.7867 -3.7867 -1.1360 -1.1360 3.8975 3.8975 10.2953 10.2953 10.5046 10.5046 12.6756 12.6756 13.8916 13.8916 14.2217 14.2217 15.7391 15.7391 k = 0.3900 0.2252 0.1592 ( 1254 PWs) bands (ev): -4.7029 -4.7029 -4.6667 -4.6667 -3.9034 -3.9034 -3.8056 -3.8056 -3.7858 -3.7858 -1.0732 -1.0732 3.7815 3.7815 10.3133 10.3133 10.5199 10.5199 12.6516 12.6516 13.8233 13.8233 14.1527 14.1527 15.7229 15.7229 k = 0.4000 0.2309 0.1633 ( 1251 PWs) bands (ev): -4.7035 -4.7035 -4.6666 -4.6666 -3.9047 -3.9047 -3.8047 -3.8047 -3.7849 -3.7849 -1.0126 -1.0126 3.6723 3.6723 10.3307 10.3307 10.5347 10.5347 12.6288 12.6288 13.7600 13.7600 14.0888 14.0888 15.7078 15.7078 k = 0.4100 0.2367 0.1674 ( 1251 PWs) bands (ev): -4.7040 -4.7040 -4.6664 -4.6664 -3.9060 -3.9060 -3.8039 -3.8039 -3.7841 -3.7841 -0.9548 -0.9548 3.5705 3.5705 10.3471 10.3471 10.5487 10.5487 12.6076 12.6076 13.7020 13.7020 14.0302 14.0302 15.6939 15.6939 k = 0.4200 0.2425 0.1715 ( 1254 PWs) bands (ev): -4.7045 -4.7045 -4.6663 -4.6663 -3.9072 -3.9072 -3.8032 -3.8032 -3.7834 -3.7834 -0.9005 -0.9005 3.4767 3.4767 10.3624 10.3624 10.5617 10.5617 12.5881 12.5881 13.6494 13.6494 13.9772 13.9772 15.6812 15.6812 k = 0.4300 0.2483 0.1755 ( 1254 PWs) bands (ev): -4.7050 -4.7050 -4.6662 -4.6662 -3.9082 -3.9082 -3.8025 -3.8025 -3.7828 -3.7828 -0.8503 -0.8503 3.3915 3.3915 10.3766 10.3766 10.5737 10.5737 12.5705 12.5705 13.6024 13.6024 13.9298 13.9298 15.6698 15.6698 k = 0.4400 0.2540 0.1796 ( 1242 PWs) bands (ev): -4.7053 -4.7053 -4.6661 -4.6661 -3.9091 -3.9091 -3.8020 -3.8020 -3.7822 -3.7822 -0.8048 -0.8048 3.3158 3.3158 10.3892 10.3892 10.5845 10.5845 12.5550 12.5550 13.5613 13.5613 13.8884 13.8884 15.6599 15.6599 k = 0.4500 0.2598 0.1837 ( 1242 PWs) bands (ev): -4.7057 -4.7057 -4.6660 -4.6660 -3.9098 -3.9098 -3.8015 -3.8015 -3.7818 -3.7818 -0.7648 -0.7648 3.2502 3.2502 10.4003 10.4003 10.5939 10.5939 12.5416 12.5416 13.5262 13.5262 13.8530 13.8530 15.6514 15.6514 k = 0.4600 0.2656 0.1878 ( 1242 PWs) bands (ev): -4.7060 -4.7060 -4.6660 -4.6660 -3.9105 -3.9105 -3.8011 -3.8011 -3.7814 -3.7814 -0.7310 -0.7310 3.1954 3.1954 10.4096 10.4096 10.6018 10.6018 12.5305 12.5305 13.4973 13.4973 13.8238 13.8238 15.6443 15.6443 k = 0.4700 0.2714 0.1919 ( 1242 PWs) bands (ev): -4.7062 -4.7062 -4.6659 -4.6659 -3.9110 -3.9110 -3.8007 -3.8007 -3.7811 -3.7811 -0.7040 -0.7040 3.1520 3.1520 10.4170 10.4170 10.6081 10.6081 12.5218 12.5218 13.4746 13.4746 13.8010 13.8010 15.6388 15.6388 k = 0.4800 0.2771 0.1960 ( 1242 PWs) bands (ev): -4.7063 -4.7063 -4.6659 -4.6659 -3.9113 -3.9113 -3.8005 -3.8005 -3.7808 -3.7808 -0.6842 -0.6842 3.1206 3.1206 10.4224 10.4224 10.6126 10.6126 12.5155 12.5155 13.4583 13.4583 13.7846 13.7846 15.6349 15.6349 k = 0.4900 0.2829 0.2000 ( 1242 PWs) bands (ev): -4.7064 -4.7064 -4.6659 -4.6659 -3.9115 -3.9115 -3.8004 -3.8004 -3.7807 -3.7807 -0.6722 -0.6722 3.1016 3.1016 10.4256 10.4256 10.6154 10.6154 12.5117 12.5117 13.4485 13.4485 13.7747 13.7747 15.6325 15.6325 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -4.7065 -4.7065 -4.6659 -4.6659 -3.9116 -3.9116 -3.8003 -3.8003 -3.7807 -3.7807 -0.6682 -0.6682 3.0952 3.0952 10.4267 10.4267 10.6163 10.6163 12.5104 12.5104 13.4453 13.4453 13.7714 13.7714 15.6317 15.6317 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -4.7065 -4.7065 -4.6659 -4.6659 -3.9116 -3.9116 -3.8003 -3.8003 -3.7807 -3.7807 -0.6682 -0.6682 3.0952 3.0952 10.4267 10.4267 10.6163 10.6163 12.5104 12.5104 13.4453 13.4453 13.7714 13.7714 15.6317 15.6317 k = 0.5036 0.2784 0.2100 ( 1242 PWs) bands (ev): -4.7065 -4.7065 -4.6660 -4.6660 -3.9116 -3.9116 -3.8005 -3.8005 -3.7806 -3.7806 -0.6666 -0.6666 3.0966 3.0966 10.4144 10.4144 10.6025 10.6025 12.5267 12.5267 13.4444 13.4444 13.7676 13.7676 15.6527 15.6527 k = 0.5071 0.2681 0.2158 ( 1242 PWs) bands (ev): -4.7066 -4.7066 -4.6662 -4.6662 -3.9118 -3.9118 -3.8011 -3.8011 -3.7806 -3.7806 -0.6617 -0.6617 3.1009 3.1009 10.3751 10.3751 10.5657 10.5657 12.5723 12.5723 13.4392 13.4392 13.7611 13.7611 15.7138 15.7138 k = 0.5107 0.2577 0.2216 ( 1242 PWs) bands (ev): -4.7068 -4.7068 -4.6665 -4.6665 -3.9120 -3.9120 -3.8020 -3.8020 -3.7805 -3.7805 -0.6535 -0.6535 3.1079 3.1079 10.3046 10.3046 10.5165 10.5165 12.6386 12.6386 13.4252 13.4252 13.7639 13.7639 15.8099 15.8099 k = 0.5143 0.2474 0.2275 ( 1242 PWs) bands (ev): -4.7070 -4.7070 -4.6670 -4.6670 -3.9123 -3.9123 -3.8032 -3.8032 -3.7804 -3.7804 -0.6422 -0.6422 3.1178 3.1178 10.2022 10.2022 10.4629 10.4629 12.7114 12.7114 13.4043 13.4043 13.7867 13.7867 15.9350 15.9350 k = 0.5179 0.2371 0.2333 ( 1242 PWs) bands (ev): -4.7074 -4.7074 -4.6676 -4.6676 -3.9128 -3.9128 -3.8048 -3.8048 -3.7802 -3.7802 -0.6277 -0.6277 3.1306 3.1306 10.0738 10.0738 10.4067 10.4067 12.7702 12.7702 13.3929 13.3929 13.8319 13.8319 16.0830 16.0830 k = 0.5214 0.2268 0.2391 ( 1242 PWs) bands (ev): -4.7079 -4.7079 -4.6683 -4.6683 -3.9133 -3.9133 -3.8066 -3.8066 -3.7800 -3.7800 -0.6101 -0.6101 3.1461 3.1461 9.9264 9.9264 10.3469 10.3469 12.7907 12.7907 13.4168 13.4168 13.8964 13.8964 16.2490 16.2490 k = 0.5250 0.2165 0.2449 ( 1241 PWs) bands (ev): -4.7085 -4.7085 -4.6691 -4.6691 -3.9140 -3.9140 -3.8087 -3.8087 -3.7797 -3.7797 -0.5896 -0.5896 3.1645 3.1645 9.7656 9.7656 10.2830 10.2830 12.7617 12.7617 13.4895 13.4895 13.9766 13.9766 16.4286 16.4286 k = 0.5286 0.2062 0.2508 ( 1237 PWs) bands (ev): -4.7093 -4.7093 -4.6699 -4.6699 -3.9148 -3.9148 -3.8110 -3.8110 -3.7793 -3.7793 -0.5660 -0.5660 3.1858 3.1858 9.5954 9.5954 10.2150 10.2150 12.6943 12.6943 13.6015 13.6015 14.0696 14.0696 16.6187 16.6187 k = 0.5321 0.1959 0.2566 ( 1239 PWs) bands (ev): -4.7102 -4.7102 -4.6707 -4.6707 -3.9157 -3.9157 -3.8135 -3.8135 -3.7789 -3.7789 -0.5397 -0.5397 3.2099 3.2099 9.4185 9.4185 10.1435 10.1435 12.6044 12.6044 13.7376 13.7376 14.1733 14.1733 16.8162 16.8162 k = 0.5357 0.1856 0.2624 ( 1239 PWs) bands (ev): -4.7114 -4.7114 -4.6715 -4.6715 -3.9168 -3.9168 -3.8160 -3.8160 -3.7783 -3.7783 -0.5107 -0.5107 3.2369 3.2369 9.2369 9.2369 10.0691 10.0691 12.5028 12.5028 13.8876 13.8876 14.2861 14.2861 17.0189 17.0189 k = 0.5393 0.1753 0.2683 ( 1243 PWs) bands (ev): -4.7129 -4.7129 -4.6723 -4.6723 -3.9181 -3.9181 -3.8187 -3.8187 -3.7778 -3.7778 -0.4791 -0.4791 3.2668 3.2668 9.0519 9.0519 9.9923 9.9923 12.3953 12.3953 14.0458 14.0458 14.4068 14.4068 17.2240 17.2240 k = 0.5429 0.1650 0.2741 ( 1249 PWs) bands (ev): -4.7146 -4.7146 -4.6730 -4.6730 -3.9194 -3.9194 -3.8213 -3.8213 -3.7771 -3.7771 -0.4451 -0.4451 3.2995 3.2995 8.8649 8.8649 9.9139 9.9139 12.2852 12.2852 14.2086 14.2086 14.5346 14.5346 17.4291 17.4291 k = 0.5464 0.1546 0.2799 ( 1247 PWs) bands (ev): -4.7166 -4.7166 -4.6736 -4.6736 -3.9210 -3.9210 -3.8239 -3.8239 -3.7764 -3.7764 -0.4087 -0.4087 3.3351 3.3351 8.6766 8.6766 9.8343 9.8343 12.1744 12.1744 14.3740 14.3740 14.6687 14.6687 17.6311 17.6311 k = 0.5500 0.1443 0.2858 ( 1243 PWs) bands (ev): -4.7188 -4.7188 -4.6741 -4.6741 -3.9227 -3.9227 -3.8264 -3.8264 -3.7755 -3.7755 -0.3702 -0.3702 3.3737 3.3737 8.4879 8.4879 9.7540 9.7540 12.0642 12.0642 14.5405 14.5405 14.8083 14.8083 17.8264 17.8264 k = 0.5536 0.1340 0.2916 ( 1247 PWs) bands (ev): -4.7214 -4.7214 -4.6745 -4.6745 -3.9245 -3.9245 -3.8288 -3.8288 -3.7746 -3.7746 -0.3298 -0.3298 3.4151 3.4151 8.2994 8.2994 9.6736 9.6736 11.9552 11.9552 14.7068 14.7068 14.9530 14.9530 18.0102 18.0102 k = 0.5571 0.1237 0.2974 ( 1247 PWs) bands (ev): -4.7243 -4.7243 -4.6747 -4.6747 -3.9265 -3.9265 -3.8311 -3.8311 -3.7736 -3.7736 -0.2876 -0.2876 3.4594 3.4594 8.1116 8.1116 9.5934 9.5934 11.8480 11.8480 14.8720 14.8720 15.1020 15.1020 18.1763 18.1763 k = 0.5607 0.1134 0.3033 ( 1249 PWs) bands (ev): -4.7274 -4.7274 -4.6749 -4.6749 -3.9285 -3.9285 -3.8332 -3.8332 -3.7726 -3.7726 -0.2438 -0.2438 3.5066 3.5066 7.9251 7.9251 9.5137 9.5137 11.7429 11.7429 15.0356 15.0356 15.2546 15.2546 18.3165 18.3165 k = 0.5643 0.1031 0.3091 ( 1251 PWs) bands (ev): -4.7307 -4.7307 -4.6749 -4.6749 -3.9307 -3.9307 -3.8352 -3.8352 -3.7715 -3.7715 -0.1986 -0.1986 3.5567 3.5567 7.7404 7.7404 9.4348 9.4348 11.6400 11.6400 15.1968 15.1968 15.4096 15.4096 18.4217 18.4217 k = 0.5679 0.0928 0.3149 ( 1249 PWs) bands (ev): -4.7343 -4.7343 -4.6749 -4.6749 -3.9330 -3.9330 -3.8369 -3.8369 -3.7702 -3.7702 -0.1522 -0.1522 3.6097 3.6097 7.5578 7.5578 9.3569 9.3569 11.5396 11.5396 15.3552 15.3552 15.5659 15.5659 18.4844 18.4844 k = 0.5714 0.0825 0.3208 ( 1249 PWs) bands (ev): -4.7381 -4.7381 -4.6748 -4.6748 -3.9353 -3.9353 -3.8385 -3.8385 -3.7690 -3.7690 -0.1049 -0.1049 3.6656 3.6656 7.3778 7.3778 9.2804 9.2804 11.4417 11.4417 15.5103 15.5103 15.7220 15.7220 18.5044 18.5044 k = 0.5750 0.0722 0.3266 ( 1249 PWs) bands (ev): -4.7420 -4.7420 -4.6746 -4.6746 -3.9376 -3.9376 -3.8400 -3.8400 -3.7676 -3.7676 -0.0570 -0.0570 3.7244 3.7244 7.2009 7.2009 9.2054 9.2054 11.3463 11.3463 15.6612 15.6612 15.8761 15.8761 18.4904 18.4904 k = 0.5786 0.0619 0.3324 ( 1248 PWs) bands (ev): -4.7460 -4.7460 -4.6744 -4.6744 -3.9399 -3.9399 -3.8412 -3.8412 -3.7662 -3.7662 -0.0086 -0.0086 3.7860 3.7860 7.0275 7.0275 9.1320 9.1320 11.2534 11.2534 15.8066 15.8066 16.0268 16.0268 18.4565 18.4565 k = 0.5821 0.0515 0.3383 ( 1244 PWs) bands (ev): -4.7501 -4.7501 -4.6741 -4.6741 -3.9422 -3.9422 -3.8423 -3.8423 -3.7648 -3.7648 0.0399 0.0399 3.8504 3.8504 6.8580 6.8580 9.0605 9.0605 11.1631 11.1631 15.9440 15.9440 16.1727 16.1727 18.4162 18.4162 k = 0.5857 0.0412 0.3441 ( 1244 PWs) bands (ev): -4.7543 -4.7543 -4.6738 -4.6738 -3.9445 -3.9445 -3.8433 -3.8433 -3.7633 -3.7633 0.0881 0.0881 3.9175 3.9175 6.6929 6.6929 8.9909 8.9909 11.0753 11.0753 16.0695 16.0695 16.3134 16.3134 18.3811 18.3811 k = 0.5893 0.0309 0.3499 ( 1248 PWs) bands (ev): -4.7585 -4.7585 -4.6734 -4.6734 -3.9467 -3.9467 -3.8441 -3.8441 -3.7618 -3.7618 0.1358 0.1358 3.9873 3.9873 6.5326 6.5326 8.9234 8.9234 10.9900 10.9900 16.1774 16.1774 16.4498 16.4498 18.3602 18.3602 k = 0.5929 0.0206 0.3558 ( 1252 PWs) bands (ev): -4.7627 -4.7627 -4.6731 -4.6731 -3.9489 -3.9489 -3.8448 -3.8448 -3.7603 -3.7603 0.1826 0.1826 4.0597 4.0597 6.3778 6.3778 8.8580 8.8580 10.9072 10.9072 16.2614 16.2614 16.5836 16.5836 18.3604 18.3604 k = 0.5964 0.0103 0.3616 ( 1252 PWs) bands (ev): -4.7668 -4.7668 -4.6727 -4.6727 -3.9509 -3.9509 -3.8454 -3.8454 -3.7587 -3.7587 0.2280 0.2280 4.1345 4.1345 6.2291 6.2291 8.7950 8.7950 10.8268 10.8268 16.3164 16.3164 16.7165 16.7165 18.3865 18.3865 k = 0.6000-0.0000 0.3674 ( 1254 PWs) bands (ev): -4.7709 -4.7709 -4.6724 -4.6724 -3.9529 -3.9529 -3.8458 -3.8458 -3.7571 -3.7571 0.2717 0.2717 4.2114 4.2114 6.0871 6.0871 8.7343 8.7343 10.7488 10.7488 16.3411 16.3411 16.8489 16.8489 18.4398 18.4398 k = 0.6036-0.0103 0.3733 ( 1250 PWs) bands (ev): -4.7748 -4.7748 -4.6720 -4.6720 -3.9548 -3.9548 -3.8462 -3.8462 -3.7556 -3.7556 0.3132 0.3132 4.2902 4.2902 5.9527 5.9527 8.6760 8.6760 10.6731 10.6731 16.3372 16.3372 16.9801 16.9801 18.5191 18.5191 k = 0.6071-0.0206 0.3791 ( 1256 PWs) bands (ev): -4.7787 -4.7787 -4.6716 -4.6716 -3.9565 -3.9565 -3.8464 -3.8464 -3.7541 -3.7541 0.3519 0.3519 4.3704 4.3704 5.8268 5.8268 8.6203 8.6203 10.5996 10.5996 16.3090 16.3090 17.1091 17.1091 18.6202 18.6202 k = 0.6107-0.0309 0.3849 ( 1250 PWs) bands (ev): -4.7823 -4.7823 -4.6713 -4.6713 -3.9582 -3.9582 -3.8466 -3.8466 -3.7525 -3.7525 0.3875 0.3875 4.4511 4.4511 5.7108 5.7108 8.5672 8.5672 10.5285 10.5285 16.2617 16.2617 17.2347 17.2347 18.7378 18.7378 k = 0.6143-0.0412 0.3908 ( 1250 PWs) bands (ev): -4.7858 -4.7858 -4.6709 -4.6709 -3.9597 -3.9597 -3.8467 -3.8467 -3.7511 -3.7511 0.4193 0.4193 4.5311 4.5311 5.6065 5.6065 8.5166 8.5166 10.4595 10.4595 16.1999 16.1999 17.3562 17.3562 18.8652 18.8652 k = 0.6179-0.0515 0.3966 ( 1252 PWs) bands (ev): -4.7891 -4.7891 -4.6706 -4.6706 -3.9611 -3.9611 -3.8468 -3.8468 -3.7497 -3.7497 0.4468 0.4468 4.6084 4.6084 5.5164 5.5164 8.4688 8.4688 10.3927 10.3927 16.1277 16.1277 17.4726 17.4726 18.9929 18.9929 k = 0.6214-0.0619 0.4024 ( 1250 PWs) bands (ev): -4.7922 -4.7922 -4.6703 -4.6703 -3.9623 -3.9623 -3.8467 -3.8467 -3.7483 -3.7483 0.4695 0.4695 4.6798 4.6798 5.4444 5.4444 8.4237 8.4237 10.3280 10.3280 16.0485 16.0485 17.5835 17.5835 19.1039 19.1039 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -4.7951 -4.7951 -4.6700 -4.6700 -3.9635 -3.9635 -3.8467 -3.8467 -3.7470 -3.7470 0.4868 0.4868 4.7400 4.7400 5.3960 5.3960 8.3813 8.3813 10.2654 10.2654 15.9647 15.9647 17.6883 17.6883 19.1703 19.1703 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -4.7951 -4.7951 -4.6700 -4.6700 -3.9635 -3.9635 -3.8467 -3.8467 -3.7470 -3.7470 0.4868 0.4868 4.7400 4.7400 5.3960 5.3960 8.3813 8.3813 10.2654 10.2654 15.9647 15.9647 17.6883 17.6883 19.1703 19.1703 k = 0.6190-0.0687 0.4180 ( 1250 PWs) bands (ev): -4.7950 -4.7950 -4.6700 -4.6700 -3.9635 -3.9635 -3.8466 -3.8466 -3.7471 -3.7471 0.4873 0.4873 4.7413 4.7413 5.3973 5.3973 8.3613 8.3613 10.2872 10.2872 15.9660 15.9660 17.6606 17.6606 19.1997 19.1997 k = 0.6131-0.0653 0.4277 ( 1252 PWs) bands (ev): -4.7950 -4.7950 -4.6700 -4.6700 -3.9637 -3.9637 -3.8465 -3.8465 -3.7472 -3.7472 0.4889 0.4889 4.7453 4.7453 5.4011 5.4011 8.3037 8.3037 10.3499 10.3499 15.9696 15.9696 17.5839 17.5839 19.2817 19.2817 k = 0.6071-0.0619 0.4374 ( 1252 PWs) bands (ev): -4.7949 -4.7949 -4.6701 -4.6701 -3.9639 -3.9639 -3.8462 -3.8462 -3.7474 -3.7474 0.4916 0.4916 4.7518 4.7518 5.4074 5.4074 8.2154 8.2154 10.4469 10.4469 15.9752 15.9752 17.4716 17.4716 19.4024 19.4024 k = 0.6012-0.0584 0.4471 ( 1253 PWs) bands (ev): -4.7947 -4.7947 -4.6701 -4.6701 -3.9641 -3.9641 -3.8459 -3.8459 -3.7478 -3.7478 0.4953 0.4953 4.7611 4.7611 5.4163 5.4163 8.1039 8.1039 10.5704 10.5704 15.9820 15.9820 17.3375 17.3375 19.3864 19.3864 k = 0.5952-0.0550 0.4568 ( 1253 PWs) bands (ev): -4.7946 -4.7946 -4.6702 -4.6702 -3.9644 -3.9644 -3.8455 -3.8455 -3.7482 -3.7482 0.5000 0.5000 4.7728 4.7728 5.4276 5.4276 7.9762 7.9762 10.7133 10.7133 15.9887 15.9887 17.1924 17.1924 19.3110 19.3110 k = 0.5893-0.0515 0.4666 ( 1259 PWs) bands (ev): -4.7944 -4.7944 -4.6703 -4.6703 -3.9648 -3.9648 -3.8450 -3.8450 -3.7487 -3.7487 0.5055 0.5055 4.7872 4.7872 5.4415 5.4415 7.8377 7.8377 10.8700 10.8700 15.9928 15.9928 17.0452 17.0452 19.2233 19.2233 k = 0.5833-0.0481 0.4763 ( 1259 PWs) bands (ev): -4.7941 -4.7941 -4.6704 -4.6704 -3.9652 -3.9652 -3.8445 -3.8445 -3.7492 -3.7492 0.5120 0.5120 4.8040 4.8040 5.4579 5.4579 7.6924 7.6924 11.0364 11.0364 15.9904 15.9904 16.9041 16.9041 19.1253 19.1253 k = 0.5774-0.0447 0.4860 ( 1257 PWs) bands (ev): -4.7939 -4.7939 -4.6704 -4.6704 -3.9657 -3.9657 -3.8440 -3.8440 -3.7498 -3.7498 0.5191 0.5191 4.8233 4.8233 5.4767 5.4767 7.5433 7.5433 11.2092 11.2092 15.9747 15.9747 16.7788 16.7788 19.0190 19.0190 k = 0.5714-0.0412 0.4957 ( 1253 PWs) bands (ev): -4.7936 -4.7936 -4.6705 -4.6705 -3.9662 -3.9662 -3.8434 -3.8434 -3.7505 -3.7505 0.5269 0.5269 4.8450 4.8450 5.4980 5.4980 7.3925 7.3925 11.3860 11.3860 15.9366 15.9366 16.6805 16.6805 18.9058 18.9058 k = 0.5655-0.0378 0.5055 ( 1255 PWs) bands (ev): -4.7933 -4.7933 -4.6706 -4.6706 -3.9667 -3.9667 -3.8428 -3.8428 -3.7511 -3.7511 0.5353 0.5353 4.8689 4.8689 5.5218 5.5218 7.2416 7.2416 11.5647 11.5647 15.8683 15.8683 16.6190 16.6190 18.7871 18.7871 k = 0.5595-0.0344 0.5152 ( 1255 PWs) bands (ev): -4.7931 -4.7931 -4.6707 -4.6707 -3.9671 -3.9671 -3.8422 -3.8422 -3.7518 -3.7518 0.5440 0.5440 4.8949 4.8949 5.5479 5.5479 7.0920 7.0920 11.7435 11.7435 15.7696 15.7696 16.5959 16.5959 18.6642 18.6642 k = 0.5536-0.0309 0.5249 ( 1255 PWs) bands (ev): -4.7928 -4.7928 -4.6708 -4.6708 -3.9676 -3.9676 -3.8416 -3.8416 -3.7525 -3.7525 0.5529 0.5529 4.9229 4.9229 5.5765 5.5765 6.9448 6.9448 11.9205 11.9205 15.6484 15.6484 16.6049 16.6049 18.5380 18.5380 k = 0.5476-0.0275 0.5346 ( 1245 PWs) bands (ev): -4.7926 -4.7926 -4.6709 -4.6709 -3.9680 -3.9680 -3.8410 -3.8410 -3.7531 -3.7531 0.5619 0.5619 4.9525 4.9525 5.6074 5.6074 6.8011 6.8011 12.0939 12.0939 15.5145 15.5145 16.6378 16.6378 18.4094 18.4094 k = 0.5417-0.0241 0.5443 ( 1240 PWs) bands (ev): -4.7923 -4.7923 -4.6710 -4.6710 -3.9684 -3.9684 -3.8405 -3.8405 -3.7537 -3.7537 0.5708 0.5708 4.9834 4.9834 5.6407 5.6407 6.6618 6.6618 12.2615 12.2615 15.3761 15.3761 16.6884 16.6884 18.2791 18.2791 k = 0.5357-0.0206 0.5541 ( 1241 PWs) bands (ev): -4.7921 -4.7921 -4.6711 -4.6711 -3.9688 -3.9688 -3.8400 -3.8400 -3.7543 -3.7543 0.5793 0.5793 5.0151 5.0151 5.6763 5.6763 6.5281 6.5281 12.4208 12.4208 15.2393 15.2393 16.7529 16.7529 18.1478 18.1478 k = 0.5298-0.0172 0.5638 ( 1244 PWs) bands (ev): -4.7919 -4.7919 -4.6712 -4.6712 -3.9691 -3.9691 -3.8396 -3.8396 -3.7548 -3.7548 0.5873 0.5873 5.0469 5.0469 5.7142 5.7142 6.4011 6.4011 12.5687 12.5687 15.1091 15.1091 16.8291 16.8291 18.0160 18.0160 k = 0.5238-0.0137 0.5735 ( 1240 PWs) bands (ev): -4.7918 -4.7918 -4.6713 -4.6713 -3.9694 -3.9694 -3.8393 -3.8393 -3.7552 -3.7552 0.5944 0.5944 5.0777 5.0777 5.7543 5.7543 6.2823 6.2823 12.7011 12.7011 14.9907 14.9907 16.9158 16.9158 17.8843 17.8843 k = 0.5179-0.0103 0.5832 ( 1236 PWs) bands (ev): -4.7917 -4.7917 -4.6713 -4.6713 -3.9696 -3.9696 -3.8390 -3.8390 -3.7555 -3.7555 0.6005 0.6005 5.1061 5.1061 5.7966 5.7966 6.1738 6.1738 12.8130 12.8130 14.8895 14.8895 17.0121 17.0121 17.7532 17.7532 k = 0.5119-0.0069 0.5929 ( 1234 PWs) bands (ev): -4.7916 -4.7916 -4.6714 -4.6714 -3.9698 -3.9698 -3.8389 -3.8389 -3.7557 -3.7557 0.6052 0.6052 5.1300 5.1300 5.8410 5.8410 6.0780 6.0780 12.8988 12.8988 14.8114 14.8114 17.1171 17.1171 17.6233 17.6233 k = 0.5060-0.0034 0.6027 ( 1232 PWs) bands (ev): -4.7915 -4.7915 -4.6714 -4.6714 -3.9699 -3.9699 -3.8387 -3.8387 -3.7559 -3.7559 0.6083 0.6083 5.1467 5.1467 5.8873 5.8873 5.9983 5.9983 12.9528 12.9528 14.7620 14.7620 17.2288 17.2288 17.4967 17.4967 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -4.7915 -4.7915 -4.6714 -4.6714 -3.9699 -3.9699 -3.8387 -3.8387 -3.7559 -3.7559 0.6093 0.6093 5.1529 5.1529 5.9274 5.9274 5.9463 5.9463 12.9710 12.9710 14.7453 14.7453 17.3162 17.3162 17.4044 17.4044 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -4.7915 -4.7915 -4.6714 -4.6714 -3.9699 -3.9699 -3.8387 -3.8387 -3.7559 -3.7559 0.6093 0.6093 5.1529 5.1529 5.9274 5.9274 5.9463 5.9463 12.9710 12.9710 14.7453 14.7453 17.3162 17.3162 17.4044 17.4044 k = 0.5000 0.0070 0.6024 ( 1232 PWs) bands (ev): -4.7914 -4.7914 -4.6714 -4.6714 -3.9698 -3.9698 -3.8387 -3.8387 -3.7560 -3.7560 0.6069 0.6069 5.1364 5.1364 5.9362 5.9362 5.9617 5.9617 12.9700 12.9700 14.7408 14.7408 17.3202 17.3202 17.4086 17.4086 k = 0.5000 0.0141 0.5925 ( 1236 PWs) bands (ev): -4.7909 -4.7909 -4.6715 -4.6715 -3.9695 -3.9695 -3.8388 -3.8388 -3.7561 -3.7561 0.5997 0.5997 5.0910 5.0910 5.9530 5.9530 6.0130 6.0130 12.9670 12.9670 14.7277 14.7277 17.3322 17.3322 17.4212 17.4212 k = 0.5000 0.0211 0.5825 ( 1240 PWs) bands (ev): -4.7900 -4.7900 -4.6715 -4.6715 -3.9691 -3.9691 -3.8388 -3.8388 -3.7564 -3.7564 0.5879 0.5879 5.0256 5.0256 5.9775 5.9775 6.0919 6.0919 12.9621 12.9621 14.7063 14.7063 17.3517 17.3517 17.4418 17.4418 k = 0.5000 0.0282 0.5725 ( 1240 PWs) bands (ev): -4.7888 -4.7888 -4.6716 -4.6716 -3.9685 -3.9685 -3.8389 -3.8389 -3.7567 -3.7567 0.5714 0.5714 4.9483 4.9483 6.0109 6.0109 6.1888 6.1888 12.9553 12.9553 14.6771 14.6771 17.3779 17.3779 17.4698 17.4698 k = 0.5000 0.0352 0.5626 ( 1238 PWs) bands (ev): -4.7873 -4.7873 -4.6718 -4.6718 -3.9677 -3.9677 -3.8390 -3.8390 -3.7572 -3.7572 0.5507 0.5507 4.8644 4.8644 6.0532 6.0532 6.2980 6.2980 12.9467 12.9467 14.6410 14.6410 17.4103 17.4103 17.5045 17.5045 k = 0.5000 0.0422 0.5526 ( 1238 PWs) bands (ev): -4.7855 -4.7855 -4.6719 -4.6719 -3.9667 -3.9667 -3.8391 -3.8391 -3.7577 -3.7577 0.5258 0.5258 4.7773 4.7773 6.1043 6.1043 6.4160 6.4160 12.9366 12.9366 14.5988 14.5988 17.4480 17.4480 17.5443 17.5443 k = 0.5000 0.0493 0.5427 ( 1238 PWs) bands (ev): -4.7835 -4.7835 -4.6721 -4.6721 -3.9655 -3.9655 -3.8392 -3.8392 -3.7583 -3.7583 0.4971 0.4971 4.6892 4.6892 6.1640 6.1640 6.5405 6.5405 12.9251 12.9251 14.5514 14.5514 17.4901 17.4901 17.5880 17.5880 k = 0.5000 0.0563 0.5327 ( 1242 PWs) bands (ev): -4.7811 -4.7811 -4.6723 -4.6723 -3.9642 -3.9642 -3.8393 -3.8393 -3.7590 -3.7590 0.4650 0.4650 4.6012 4.6012 6.2319 6.2319 6.6703 6.6703 12.9124 12.9124 14.4997 14.4997 17.5348 17.5348 17.6339 17.6339 k = 0.5000 0.0634 0.5228 ( 1240 PWs) bands (ev): -4.7785 -4.7785 -4.6725 -4.6725 -3.9627 -3.9627 -3.8394 -3.8394 -3.7597 -3.7597 0.4296 0.4296 4.5143 4.5143 6.3077 6.3077 6.8044 6.8044 12.8987 12.8987 14.4446 14.4446 17.5794 17.5794 17.6814 17.6814 k = 0.5000 0.0704 0.5128 ( 1244 PWs) bands (ev): -4.7756 -4.7756 -4.6727 -4.6727 -3.9611 -3.9611 -3.8395 -3.8395 -3.7606 -3.7606 0.3915 0.3915 4.4289 4.4289 6.3911 6.3911 6.9422 6.9422 12.8843 12.8843 14.3866 14.3866 17.6187 17.6187 17.7314 17.7314 k = 0.5000 0.0774 0.5028 ( 1238 PWs) bands (ev): -4.7725 -4.7725 -4.6730 -4.6730 -3.9593 -3.9593 -3.8396 -3.8396 -3.7614 -3.7614 0.3509 0.3509 4.3455 4.3455 6.4818 6.4818 7.0832 7.0832 12.8695 12.8695 14.3267 14.3267 17.6456 17.6456 17.7866 17.7866 k = 0.5000 0.0845 0.4929 ( 1238 PWs) bands (ev): -4.7692 -4.7692 -4.6732 -4.6732 -3.9574 -3.9574 -3.8396 -3.8396 -3.7623 -3.7623 0.3082 0.3082 4.2642 4.2642 6.5794 6.5794 7.2270 7.2270 12.8544 12.8544 14.2653 14.2653 17.6533 17.6533 17.8484 17.8484 k = 0.5000 0.0915 0.4829 ( 1240 PWs) bands (ev): -4.7658 -4.7658 -4.6735 -4.6735 -3.9553 -3.9553 -3.8396 -3.8396 -3.7633 -3.7633 0.2637 0.2637 4.1853 4.1853 6.6834 6.6834 7.3733 7.3733 12.8394 12.8394 14.2030 14.2030 17.6373 17.6373 17.9160 17.9160 k = 0.5000 0.0986 0.4730 ( 1240 PWs) bands (ev): -4.7623 -4.7623 -4.6737 -4.6737 -3.9531 -3.9531 -3.8395 -3.8395 -3.7643 -3.7643 0.2178 0.2178 4.1089 4.1089 6.7938 6.7938 7.5216 7.5216 12.8247 12.8247 14.1403 14.1403 17.5945 17.5945 17.9877 17.9877 k = 0.5000 0.1056 0.4630 ( 1248 PWs) bands (ev): -4.7586 -4.7586 -4.6740 -4.6740 -3.9508 -3.9508 -3.8393 -3.8393 -3.7653 -3.7653 0.1708 0.1708 4.0351 4.0351 6.9099 6.9099 7.6718 7.6718 12.8107 12.8107 14.0776 14.0776 17.5234 17.5234 18.0617 18.0617 k = 0.5000 0.1127 0.4531 ( 1246 PWs) bands (ev): -4.7548 -4.7548 -4.6743 -4.6743 -3.9484 -3.9484 -3.8391 -3.8391 -3.7663 -3.7663 0.1230 0.1230 3.9639 3.9639 7.0317 7.0317 7.8236 7.8236 12.7977 12.7977 14.0152 14.0152 17.4242 17.4242 18.1358 18.1358 k = 0.5000 0.1197 0.4431 ( 1246 PWs) bands (ev): -4.7511 -4.7511 -4.6745 -4.6745 -3.9459 -3.9459 -3.8387 -3.8387 -3.7673 -3.7673 0.0747 0.0747 3.8955 3.8955 7.1586 7.1586 7.9766 7.9766 12.7859 12.7859 13.9534 13.9534 17.2987 17.2987 18.2076 18.2076 k = 0.5000 0.1267 0.4331 ( 1248 PWs) bands (ev): -4.7473 -4.7473 -4.6747 -4.6747 -3.9434 -3.9434 -3.8381 -3.8381 -3.7683 -3.7683 0.0263 0.0263 3.8298 3.8298 7.2906 7.2906 8.1304 8.1304 12.7757 12.7757 13.8924 13.8924 17.1503 17.1503 18.2737 18.2737 k = 0.5000 0.1338 0.4232 ( 1252 PWs) bands (ev): -4.7435 -4.7435 -4.6749 -4.6749 -3.9409 -3.9409 -3.8375 -3.8375 -3.7693 -3.7693 -0.0221 -0.0221 3.7670 3.7670 7.4271 7.4271 8.2848 8.2848 12.7674 12.7674 13.8326 13.8326 16.9829 16.9829 18.3295 18.3295 k = 0.5000 0.1408 0.4132 ( 1248 PWs) bands (ev): -4.7398 -4.7398 -4.6751 -4.6751 -3.9383 -3.9383 -3.8366 -3.8366 -3.7702 -3.7702 -0.0701 -0.0701 3.7069 3.7069 7.5681 7.5681 8.4392 8.4392 12.7615 12.7615 13.7739 13.7739 16.8003 16.8003 18.3688 18.3688 k = 0.5000 0.1479 0.4033 ( 1246 PWs) bands (ev): -4.7362 -4.7362 -4.6752 -4.6752 -3.9358 -3.9358 -3.8356 -3.8356 -3.7712 -3.7712 -0.1176 -0.1176 3.6497 3.6497 7.7131 7.7131 8.5934 8.5934 12.7582 12.7582 13.7167 13.7167 16.6061 16.6061 18.3837 18.3837 k = 0.5000 0.1549 0.3933 ( 1252 PWs) bands (ev): -4.7327 -4.7327 -4.6752 -4.6752 -3.9333 -3.9333 -3.8344 -3.8344 -3.7721 -3.7721 -0.1642 -0.1642 3.5953 3.5953 7.8619 7.8619 8.7466 8.7466 12.7580 12.7580 13.6609 13.6609 16.4034 16.4034 18.3660 18.3660 k = 0.5000 0.1619 0.3834 ( 1252 PWs) bands (ev): -4.7294 -4.7294 -4.6752 -4.6752 -3.9309 -3.9309 -3.8330 -3.8330 -3.7730 -3.7730 -0.2098 -0.2098 3.5437 3.5437 8.0143 8.0143 8.8985 8.8985 12.7613 12.7613 13.6066 13.6066 16.1948 16.1948 18.3099 18.3099 k = 0.5000 0.1690 0.3734 ( 1250 PWs) bands (ev): -4.7262 -4.7262 -4.6750 -4.6750 -3.9286 -3.9286 -3.8313 -3.8313 -3.7739 -3.7739 -0.2542 -0.2542 3.4950 3.4950 8.1698 8.1698 9.0483 9.0483 12.7685 12.7685 13.5539 13.5539 15.9825 15.9825 18.2148 18.2148 k = 0.5000 0.1760 0.3634 ( 1246 PWs) bands (ev): -4.7233 -4.7233 -4.6748 -4.6748 -3.9265 -3.9265 -3.8295 -3.8295 -3.7747 -3.7747 -0.2972 -0.2972 3.4491 3.4491 8.3283 8.3283 9.1953 9.1953 12.7800 12.7800 13.5028 13.5028 15.7683 15.7683 18.0857 18.0857 k = 0.5000 0.1831 0.3535 ( 1246 PWs) bands (ev): -4.7206 -4.7206 -4.6745 -4.6745 -3.9244 -3.9244 -3.8275 -3.8275 -3.7754 -3.7754 -0.3385 -0.3385 3.4060 3.4060 8.4893 8.4893 9.3389 9.3389 12.7963 12.7963 13.4532 13.4532 15.5540 15.5540 17.9303 17.9303 k = 0.5000 0.1901 0.3435 ( 1246 PWs) bands (ev): -4.7182 -4.7182 -4.6740 -4.6740 -3.9226 -3.9226 -3.8253 -3.8253 -3.7762 -3.7762 -0.3780 -0.3780 3.3658 3.3658 8.6524 8.6524 9.4781 9.4781 12.8175 12.8175 13.4050 13.4050 15.3412 15.3412 17.7562 17.7562 k = 0.5000 0.1971 0.3336 ( 1240 PWs) bands (ev): -4.7161 -4.7161 -4.6735 -4.6735 -3.9208 -3.9208 -3.8230 -3.8230 -3.7768 -3.7768 -0.4156 -0.4156 3.3283 3.3283 8.8172 8.8172 9.6120 9.6120 12.8437 12.8437 13.3583 13.3583 15.1314 15.1314 17.5699 17.5699 k = 0.5000 0.2042 0.3236 ( 1240 PWs) bands (ev): -4.7142 -4.7142 -4.6729 -4.6729 -3.9193 -3.9193 -3.8205 -3.8205 -3.7775 -3.7775 -0.4510 -0.4510 3.2937 3.2937 8.9833 8.9833 9.7399 9.7399 12.8746 12.8746 13.3132 13.3132 14.9264 14.9264 17.3760 17.3760 k = 0.5000 0.2112 0.3137 ( 1240 PWs) bands (ev): -4.7126 -4.7126 -4.6722 -4.6722 -3.9179 -3.9179 -3.8180 -3.8180 -3.7780 -3.7780 -0.4842 -0.4842 3.2619 3.2619 9.1498 9.1498 9.8607 9.8607 12.9087 12.9087 13.2707 13.2707 14.7282 14.7282 17.1786 17.1786 k = 0.5000 0.2183 0.3037 ( 1238 PWs) bands (ev): -4.7112 -4.7112 -4.6714 -4.6714 -3.9167 -3.9167 -3.8155 -3.8155 -3.7785 -3.7785 -0.5150 -0.5150 3.2329 3.2329 9.3161 9.3161 9.9736 9.9736 12.9422 12.9422 13.2333 13.2333 14.5392 14.5392 16.9805 16.9805 k = 0.5000 0.2253 0.2937 ( 1238 PWs) bands (ev): -4.7101 -4.7101 -4.6706 -4.6706 -3.9156 -3.9156 -3.8131 -3.8131 -3.7790 -3.7790 -0.5433 -0.5433 3.2067 3.2067 9.4810 9.4810 10.0779 10.0779 12.9657 12.9657 13.2088 13.2088 14.3624 14.3624 16.7843 16.7843 k = 0.5000 0.2323 0.2838 ( 1244 PWs) bands (ev): -4.7092 -4.7092 -4.6698 -4.6698 -3.9147 -3.9147 -3.8107 -3.8107 -3.7794 -3.7794 -0.5689 -0.5689 3.1832 3.1832 9.6431 9.6431 10.1730 10.1730 12.9633 12.9633 13.2103 13.2103 14.2013 14.2013 16.5926 16.5926 k = 0.5000 0.2394 0.2738 ( 1244 PWs) bands (ev): -4.7084 -4.7084 -4.6690 -4.6690 -3.9139 -3.9139 -3.8085 -3.8085 -3.7797 -3.7797 -0.5917 -0.5917 3.1626 3.1626 9.8006 9.8006 10.2586 10.2586 12.9279 12.9279 13.2418 13.2418 14.0598 14.0598 16.4079 16.4079 k = 0.5000 0.2464 0.2639 ( 1238 PWs) bands (ev): -4.7078 -4.7078 -4.6682 -4.6682 -3.9133 -3.9133 -3.8065 -3.8065 -3.7800 -3.7800 -0.6118 -0.6118 3.1447 3.1447 9.9507 9.9507 10.3349 10.3349 12.8684 12.8684 13.2907 13.2907 13.9423 13.9423 16.2330 16.2330 k = 0.5000 0.2535 0.2539 ( 1244 PWs) bands (ev): -4.7074 -4.7074 -4.6676 -4.6676 -3.9127 -3.9127 -3.8047 -3.8047 -3.7802 -3.7802 -0.6288 -0.6288 3.1296 3.1296 10.0894 10.0894 10.4025 10.4025 12.7946 12.7946 13.3438 13.3438 13.8525 13.8525 16.0713 16.0713 k = 0.5000 0.2605 0.2440 ( 1244 PWs) bands (ev): -4.7070 -4.7070 -4.6670 -4.6670 -3.9123 -3.9123 -3.8031 -3.8031 -3.7804 -3.7804 -0.6429 -0.6429 3.1172 3.1172 10.2112 10.2112 10.4629 10.4629 12.7145 12.7145 13.3907 13.3907 13.7935 13.7935 15.9270 15.9270 k = 0.5000 0.2676 0.2340 ( 1244 PWs) bands (ev): -4.7068 -4.7068 -4.6665 -4.6665 -3.9120 -3.9120 -3.8019 -3.8019 -3.7805 -3.7805 -0.6539 -0.6539 3.1076 3.1076 10.3089 10.3089 10.5179 10.5179 12.6367 12.6367 13.4231 13.4231 13.7653 13.7653 15.8051 15.8051 k = 0.5000 0.2746 0.2240 ( 1244 PWs) bands (ev): -4.7066 -4.7066 -4.6662 -4.6662 -3.9118 -3.9118 -3.8011 -3.8011 -3.7806 -3.7806 -0.6619 -0.6619 3.1007 3.1007 10.3767 10.3767 10.5669 10.5669 12.5708 12.5708 13.4392 13.4392 13.7614 13.7614 15.7115 15.7115 k = 0.5000 0.2816 0.2141 ( 1244 PWs) bands (ev): -4.7065 -4.7065 -4.6660 -4.6660 -3.9116 -3.9116 -3.8005 -3.8005 -3.7807 -3.7807 -0.6666 -0.6666 3.0966 3.0966 10.4147 10.4147 10.6029 10.6029 12.5262 12.5262 13.4444 13.4444 13.7677 13.7677 15.6521 15.6521 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -4.7065 -4.7065 -4.6659 -4.6659 -3.9116 -3.9116 -3.8003 -3.8003 -3.7807 -3.7807 -0.6682 -0.6682 3.0952 3.0952 10.4267 10.4267 10.6163 10.6163 12.5104 12.5104 13.4453 13.4453 13.7714 13.7714 15.6317 15.6317 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -4.7065 -4.7065 -4.6659 -4.6659 -3.9116 -3.9116 -3.8003 -3.8003 -3.7807 -3.7807 -0.6682 -0.6682 3.0952 3.0952 10.4267 10.4267 10.6163 10.6163 12.5104 12.5104 13.4453 13.4453 13.7714 13.7714 15.6317 15.6317 k = 0.4964 0.2866 0.2158 ( 1242 PWs) bands (ev): -4.7065 -4.7065 -4.6660 -4.6660 -3.9116 -3.9116 -3.8005 -3.8005 -3.7806 -3.7806 -0.6666 -0.6666 3.0966 3.0966 10.4144 10.4144 10.6025 10.6025 12.5267 12.5267 13.4444 13.4444 13.7676 13.7676 15.6527 15.6527 k = 0.4929 0.2846 0.2275 ( 1242 PWs) bands (ev): -4.7066 -4.7066 -4.6662 -4.6662 -3.9118 -3.9118 -3.8011 -3.8011 -3.7806 -3.7806 -0.6617 -0.6617 3.1009 3.1009 10.3751 10.3751 10.5657 10.5657 12.5723 12.5723 13.4392 13.4392 13.7611 13.7611 15.7138 15.7138 k = 0.4893 0.2825 0.2391 ( 1242 PWs) bands (ev): -4.7068 -4.7068 -4.6665 -4.6665 -3.9120 -3.9120 -3.8020 -3.8020 -3.7805 -3.7805 -0.6535 -0.6535 3.1079 3.1079 10.3046 10.3046 10.5165 10.5165 12.6386 12.6386 13.4252 13.4252 13.7639 13.7639 15.8099 15.8099 k = 0.4857 0.2804 0.2508 ( 1242 PWs) bands (ev): -4.7070 -4.7070 -4.6670 -4.6670 -3.9123 -3.9123 -3.8032 -3.8032 -3.7804 -3.7804 -0.6422 -0.6422 3.1178 3.1178 10.2022 10.2022 10.4629 10.4629 12.7114 12.7114 13.4043 13.4043 13.7867 13.7867 15.9350 15.9350 k = 0.4821 0.2784 0.2624 ( 1242 PWs) bands (ev): -4.7074 -4.7074 -4.6676 -4.6676 -3.9128 -3.9128 -3.8048 -3.8048 -3.7802 -3.7802 -0.6277 -0.6277 3.1306 3.1306 10.0738 10.0738 10.4067 10.4067 12.7702 12.7702 13.3929 13.3929 13.8319 13.8319 16.0830 16.0830 k = 0.4786 0.2763 0.2741 ( 1242 PWs) bands (ev): -4.7079 -4.7079 -4.6683 -4.6683 -3.9133 -3.9133 -3.8066 -3.8066 -3.7800 -3.7800 -0.6101 -0.6101 3.1461 3.1461 9.9264 9.9264 10.3469 10.3469 12.7907 12.7907 13.4168 13.4168 13.8964 13.8964 16.2490 16.2490 k = 0.4750 0.2742 0.2858 ( 1241 PWs) bands (ev): -4.7085 -4.7085 -4.6691 -4.6691 -3.9140 -3.9140 -3.8087 -3.8087 -3.7797 -3.7797 -0.5896 -0.5896 3.1645 3.1645 9.7656 9.7656 10.2830 10.2830 12.7617 12.7617 13.4895 13.4895 13.9766 13.9766 16.4286 16.4286 k = 0.4714 0.2722 0.2974 ( 1237 PWs) bands (ev): -4.7093 -4.7093 -4.6699 -4.6699 -3.9148 -3.9148 -3.8110 -3.8110 -3.7793 -3.7793 -0.5660 -0.5660 3.1858 3.1858 9.5954 9.5954 10.2150 10.2150 12.6943 12.6943 13.6015 13.6015 14.0696 14.0696 16.6187 16.6187 k = 0.4679 0.2701 0.3091 ( 1239 PWs) bands (ev): -4.7102 -4.7102 -4.6707 -4.6707 -3.9157 -3.9157 -3.8135 -3.8135 -3.7789 -3.7789 -0.5397 -0.5397 3.2099 3.2099 9.4185 9.4185 10.1435 10.1435 12.6044 12.6044 13.7376 13.7376 14.1733 14.1733 16.8162 16.8162 k = 0.4643 0.2681 0.3208 ( 1239 PWs) bands (ev): -4.7114 -4.7114 -4.6715 -4.6715 -3.9168 -3.9168 -3.8160 -3.8160 -3.7783 -3.7783 -0.5107 -0.5107 3.2369 3.2369 9.2369 9.2369 10.0691 10.0691 12.5028 12.5028 13.8876 13.8876 14.2861 14.2861 17.0189 17.0189 k = 0.4607 0.2660 0.3324 ( 1243 PWs) bands (ev): -4.7129 -4.7129 -4.6723 -4.6723 -3.9181 -3.9181 -3.8187 -3.8187 -3.7778 -3.7778 -0.4791 -0.4791 3.2668 3.2668 9.0519 9.0519 9.9923 9.9923 12.3953 12.3953 14.0458 14.0458 14.4068 14.4068 17.2240 17.2240 k = 0.4571 0.2639 0.3441 ( 1249 PWs) bands (ev): -4.7146 -4.7146 -4.6730 -4.6730 -3.9194 -3.9194 -3.8213 -3.8213 -3.7771 -3.7771 -0.4451 -0.4451 3.2995 3.2995 8.8649 8.8649 9.9139 9.9139 12.2852 12.2852 14.2086 14.2086 14.5346 14.5346 17.4291 17.4291 k = 0.4536 0.2619 0.3558 ( 1247 PWs) bands (ev): -4.7166 -4.7166 -4.6736 -4.6736 -3.9210 -3.9210 -3.8239 -3.8239 -3.7764 -3.7764 -0.4087 -0.4087 3.3351 3.3351 8.6766 8.6766 9.8343 9.8343 12.1744 12.1744 14.3740 14.3740 14.6687 14.6687 17.6311 17.6311 k = 0.4500 0.2598 0.3674 ( 1243 PWs) bands (ev): -4.7188 -4.7188 -4.6741 -4.6741 -3.9227 -3.9227 -3.8264 -3.8264 -3.7755 -3.7755 -0.3702 -0.3702 3.3737 3.3737 8.4879 8.4879 9.7540 9.7540 12.0642 12.0642 14.5405 14.5405 14.8083 14.8083 17.8264 17.8264 k = 0.4464 0.2577 0.3791 ( 1247 PWs) bands (ev): -4.7214 -4.7214 -4.6745 -4.6745 -3.9245 -3.9245 -3.8288 -3.8288 -3.7746 -3.7746 -0.3298 -0.3298 3.4151 3.4151 8.2994 8.2994 9.6736 9.6736 11.9552 11.9552 14.7068 14.7068 14.9530 14.9530 18.0102 18.0102 k = 0.4429 0.2557 0.3908 ( 1247 PWs) bands (ev): -4.7243 -4.7243 -4.6747 -4.6747 -3.9265 -3.9265 -3.8311 -3.8311 -3.7736 -3.7736 -0.2876 -0.2876 3.4594 3.4594 8.1116 8.1116 9.5934 9.5934 11.8480 11.8480 14.8720 14.8720 15.1020 15.1020 18.1763 18.1763 k = 0.4393 0.2536 0.4024 ( 1249 PWs) bands (ev): -4.7274 -4.7274 -4.6749 -4.6749 -3.9285 -3.9285 -3.8332 -3.8332 -3.7726 -3.7726 -0.2438 -0.2438 3.5066 3.5066 7.9251 7.9251 9.5137 9.5137 11.7429 11.7429 15.0356 15.0356 15.2546 15.2546 18.3165 18.3165 k = 0.4357 0.2516 0.4141 ( 1251 PWs) bands (ev): -4.7307 -4.7307 -4.6749 -4.6749 -3.9307 -3.9307 -3.8352 -3.8352 -3.7715 -3.7715 -0.1986 -0.1986 3.5567 3.5567 7.7404 7.7404 9.4348 9.4348 11.6400 11.6400 15.1968 15.1968 15.4096 15.4096 18.4217 18.4217 k = 0.4321 0.2495 0.4257 ( 1249 PWs) bands (ev): -4.7343 -4.7343 -4.6749 -4.6749 -3.9330 -3.9330 -3.8369 -3.8369 -3.7702 -3.7702 -0.1522 -0.1522 3.6097 3.6097 7.5578 7.5578 9.3569 9.3569 11.5396 11.5396 15.3552 15.3552 15.5659 15.5659 18.4844 18.4844 k = 0.4286 0.2474 0.4374 ( 1249 PWs) bands (ev): -4.7381 -4.7381 -4.6748 -4.6748 -3.9353 -3.9353 -3.8385 -3.8385 -3.7690 -3.7690 -0.1049 -0.1049 3.6656 3.6656 7.3778 7.3778 9.2804 9.2804 11.4417 11.4417 15.5103 15.5103 15.7220 15.7220 18.5044 18.5044 k = 0.4250 0.2454 0.4491 ( 1249 PWs) bands (ev): -4.7420 -4.7420 -4.6746 -4.6746 -3.9376 -3.9376 -3.8400 -3.8400 -3.7676 -3.7676 -0.0570 -0.0570 3.7244 3.7244 7.2009 7.2009 9.2054 9.2054 11.3463 11.3463 15.6612 15.6612 15.8761 15.8761 18.4904 18.4904 k = 0.4214 0.2433 0.4607 ( 1248 PWs) bands (ev): -4.7460 -4.7460 -4.6744 -4.6744 -3.9399 -3.9399 -3.8412 -3.8412 -3.7662 -3.7662 -0.0086 -0.0086 3.7860 3.7860 7.0275 7.0275 9.1320 9.1320 11.2534 11.2534 15.8066 15.8066 16.0268 16.0268 18.4565 18.4565 k = 0.4179 0.2412 0.4724 ( 1244 PWs) bands (ev): -4.7501 -4.7501 -4.6741 -4.6741 -3.9422 -3.9422 -3.8423 -3.8423 -3.7648 -3.7648 0.0399 0.0399 3.8504 3.8504 6.8580 6.8580 9.0605 9.0605 11.1631 11.1631 15.9440 15.9440 16.1727 16.1727 18.4162 18.4162 k = 0.4143 0.2392 0.4841 ( 1244 PWs) bands (ev): -4.7543 -4.7543 -4.6738 -4.6738 -3.9445 -3.9445 -3.8433 -3.8433 -3.7633 -3.7633 0.0881 0.0881 3.9175 3.9175 6.6929 6.6929 8.9909 8.9909 11.0753 11.0753 16.0695 16.0695 16.3134 16.3134 18.3811 18.3811 k = 0.4107 0.2371 0.4957 ( 1248 PWs) bands (ev): -4.7585 -4.7585 -4.6734 -4.6734 -3.9467 -3.9467 -3.8441 -3.8441 -3.7618 -3.7618 0.1358 0.1358 3.9873 3.9873 6.5326 6.5326 8.9234 8.9234 10.9900 10.9900 16.1774 16.1774 16.4498 16.4498 18.3602 18.3602 k = 0.4071 0.2351 0.5074 ( 1252 PWs) bands (ev): -4.7627 -4.7627 -4.6731 -4.6731 -3.9489 -3.9489 -3.8448 -3.8448 -3.7603 -3.7603 0.1826 0.1826 4.0597 4.0597 6.3778 6.3778 8.8580 8.8580 10.9072 10.9072 16.2614 16.2614 16.5836 16.5836 18.3604 18.3604 k = 0.4036 0.2330 0.5191 ( 1252 PWs) bands (ev): -4.7668 -4.7668 -4.6727 -4.6727 -3.9509 -3.9509 -3.8454 -3.8454 -3.7587 -3.7587 0.2280 0.2280 4.1345 4.1345 6.2291 6.2291 8.7950 8.7950 10.8268 10.8268 16.3164 16.3164 16.7165 16.7165 18.3865 18.3865 k = 0.4000 0.2309 0.5307 ( 1254 PWs) bands (ev): -4.7709 -4.7709 -4.6724 -4.6724 -3.9529 -3.9529 -3.8458 -3.8458 -3.7571 -3.7571 0.2717 0.2717 4.2114 4.2114 6.0871 6.0871 8.7343 8.7343 10.7488 10.7488 16.3411 16.3411 16.8489 16.8489 18.4398 18.4398 k = 0.3964 0.2289 0.5424 ( 1250 PWs) bands (ev): -4.7748 -4.7748 -4.6720 -4.6720 -3.9548 -3.9548 -3.8462 -3.8462 -3.7556 -3.7556 0.3132 0.3132 4.2902 4.2902 5.9527 5.9527 8.6760 8.6760 10.6731 10.6731 16.3372 16.3372 16.9801 16.9801 18.5191 18.5191 k = 0.3929 0.2268 0.5541 ( 1256 PWs) bands (ev): -4.7787 -4.7787 -4.6716 -4.6716 -3.9565 -3.9565 -3.8464 -3.8464 -3.7541 -3.7541 0.3519 0.3519 4.3704 4.3704 5.8268 5.8268 8.6203 8.6203 10.5996 10.5996 16.3090 16.3090 17.1091 17.1091 18.6202 18.6202 k = 0.3893 0.2248 0.5657 ( 1250 PWs) bands (ev): -4.7823 -4.7823 -4.6713 -4.6713 -3.9582 -3.9582 -3.8466 -3.8466 -3.7525 -3.7525 0.3875 0.3875 4.4511 4.4511 5.7108 5.7108 8.5672 8.5672 10.5285 10.5285 16.2617 16.2617 17.2347 17.2347 18.7378 18.7378 k = 0.3857 0.2227 0.5774 ( 1250 PWs) bands (ev): -4.7858 -4.7858 -4.6709 -4.6709 -3.9597 -3.9597 -3.8467 -3.8467 -3.7511 -3.7511 0.4193 0.4193 4.5311 4.5311 5.6065 5.6065 8.5166 8.5166 10.4595 10.4595 16.1999 16.1999 17.3562 17.3562 18.8652 18.8652 k = 0.3821 0.2206 0.5890 ( 1252 PWs) bands (ev): -4.7891 -4.7891 -4.6706 -4.6706 -3.9611 -3.9611 -3.8468 -3.8468 -3.7497 -3.7497 0.4468 0.4468 4.6084 4.6084 5.5164 5.5164 8.4688 8.4688 10.3927 10.3927 16.1277 16.1277 17.4726 17.4726 18.9929 18.9929 k = 0.3786 0.2186 0.6007 ( 1250 PWs) bands (ev): -4.7922 -4.7922 -4.6703 -4.6703 -3.9623 -3.9623 -3.8467 -3.8467 -3.7483 -3.7483 0.4695 0.4695 4.6798 4.6798 5.4444 5.4444 8.4237 8.4237 10.3280 10.3280 16.0485 16.0485 17.5835 17.5835 19.1039 19.1039 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -4.7951 -4.7951 -4.6700 -4.6700 -3.9635 -3.9635 -3.8467 -3.8467 -3.7470 -3.7470 0.4868 0.4868 4.7400 4.7400 5.3960 5.3960 8.3813 8.3813 10.2654 10.2654 15.9647 15.9647 17.6883 17.6883 19.1703 19.1703 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -4.7951 -4.7951 -4.6700 -4.6700 -3.9635 -3.9635 -3.8467 -3.8467 -3.7470 -3.7470 0.4868 0.4868 4.7400 4.7400 5.3960 5.3960 8.3813 8.3813 10.2654 10.2654 15.9647 15.9647 17.6883 17.6883 19.1703 19.1703 k = 0.6190-0.0825 0.4082 ( 1250 PWs) bands (ev): -4.7995 -4.7995 -4.6696 -4.6696 -3.9653 -3.9653 -3.8465 -3.8465 -3.7449 -3.7449 0.5093 0.5093 4.8310 4.8310 5.3402 5.3402 8.3144 8.3144 10.1621 10.1621 15.8196 15.8196 17.8584 17.8584 19.2388 19.2388 k = 0.6131-0.0928 0.4082 ( 1252 PWs) bands (ev): -4.8040 -4.8040 -4.6691 -4.6691 -3.9669 -3.9669 -3.8463 -3.8463 -3.7428 -3.7428 0.5287 0.5287 4.9288 4.9288 5.2868 5.2868 8.2503 8.2503 10.0571 10.0571 15.6708 15.6708 18.0296 18.0296 19.3180 19.3180 k = 0.6071-0.1031 0.4082 ( 1248 PWs) bands (ev): -4.8083 -4.8083 -4.6687 -4.6687 -3.9685 -3.9685 -3.8461 -3.8461 -3.7408 -3.7408 0.5454 0.5454 5.0329 5.0329 5.2361 5.2361 8.1891 8.1891 9.9503 9.9503 15.5211 15.5211 18.2015 18.2015 19.4054 19.4054 k = 0.6012-0.1134 0.4082 ( 1248 PWs) bands (ev): -4.8126 -4.8126 -4.6684 -4.6684 -3.9700 -3.9700 -3.8459 -3.8459 -3.7387 -3.7387 0.5596 0.5596 5.1418 5.1418 5.1890 5.1890 8.1307 8.1307 9.8414 9.8414 15.3726 15.3726 18.3735 18.3735 19.4991 19.4991 k = 0.5952-0.1237 0.4082 ( 1248 PWs) bands (ev): -4.8168 -4.8168 -4.6680 -4.6680 -3.9714 -3.9714 -3.8457 -3.8457 -3.7367 -3.7367 0.5715 0.5715 5.1410 5.1410 5.2598 5.2598 8.0753 8.0753 9.7302 9.7302 15.2271 15.2271 18.5451 18.5451 19.5971 19.5971 k = 0.5893-0.1340 0.4082 ( 1252 PWs) bands (ev): -4.8208 -4.8208 -4.6677 -4.6677 -3.9726 -3.9726 -3.8455 -3.8455 -3.7348 -3.7348 0.5814 0.5814 5.0982 5.0982 5.3803 5.3803 8.0230 8.0230 9.6164 9.6164 15.0861 15.0861 18.7158 18.7158 19.6983 19.6983 k = 0.5833-0.1443 0.4082 ( 1252 PWs) bands (ev): -4.8247 -4.8247 -4.6674 -4.6674 -3.9738 -3.9738 -3.8453 -3.8453 -3.7329 -3.7329 0.5895 0.5895 5.0578 5.0578 5.5058 5.5058 7.9738 7.9738 9.4999 9.4999 14.9507 14.9507 18.8848 18.8848 19.8012 19.8012 k = 0.5774-0.1546 0.4082 ( 1252 PWs) bands (ev): -4.8284 -4.8284 -4.6671 -4.6671 -3.9749 -3.9749 -3.8450 -3.8450 -3.7311 -3.7311 0.5960 0.5960 5.0200 5.0200 5.6358 5.6358 7.9277 7.9277 9.3806 9.3806 14.8219 14.8219 19.0514 19.0514 19.9050 19.9050 k = 0.5714-0.1650 0.4082 ( 1248 PWs) bands (ev): -4.8319 -4.8319 -4.6668 -4.6668 -3.9759 -3.9759 -3.8448 -3.8448 -3.7294 -3.7294 0.6013 0.6013 4.9849 4.9849 5.7696 5.7696 7.8848 7.8848 9.2584 9.2584 14.7005 14.7005 19.2146 19.2146 20.0087 20.0087 k = 0.5655-0.1753 0.4082 ( 1252 PWs) bands (ev): -4.8352 -4.8352 -4.6666 -4.6666 -3.9768 -3.9768 -3.8446 -3.8446 -3.7278 -3.7278 0.6054 0.6054 4.9524 4.9524 5.9071 5.9071 7.8452 7.8452 9.1332 9.1332 14.5871 14.5871 19.3732 19.3732 20.1115 20.1115 k = 0.5595-0.1856 0.4082 ( 1252 PWs) bands (ev): -4.8383 -4.8383 -4.6664 -4.6664 -3.9776 -3.9776 -3.8444 -3.8444 -3.7262 -3.7262 0.6086 0.6086 4.9228 4.9228 6.0476 6.0476 7.8088 7.8088 9.0050 9.0050 14.4824 14.4824 19.5258 19.5258 20.2128 20.2128 k = 0.5536-0.1959 0.4082 ( 1256 PWs) bands (ev): -4.8412 -4.8412 -4.6662 -4.6662 -3.9783 -3.9783 -3.8442 -3.8442 -3.7248 -3.7248 0.6110 0.6110 4.8958 4.8958 6.1908 6.1908 7.7756 7.7756 8.8740 8.8740 14.3866 14.3866 19.6708 19.6708 20.3120 20.3120 k = 0.5476-0.2062 0.4082 ( 1256 PWs) bands (ev): -4.8437 -4.8437 -4.6661 -4.6661 -3.9789 -3.9789 -3.8441 -3.8441 -3.7235 -3.7235 0.6128 0.6128 4.8717 4.8717 6.3364 6.3364 7.7457 7.7457 8.7401 8.7401 14.3002 14.3002 19.8063 19.8063 20.4084 20.4084 k = 0.5417-0.2165 0.4082 ( 1256 PWs) bands (ev): -4.8461 -4.8461 -4.6660 -4.6660 -3.9795 -3.9795 -3.8439 -3.8439 -3.7224 -3.7224 0.6141 0.6141 4.8504 4.8504 6.4838 6.4838 7.7191 7.7191 8.6038 8.6038 14.2235 14.2235 19.9304 19.9304 20.5013 20.5013 k = 0.5357-0.2268 0.4082 ( 1252 PWs) bands (ev): -4.8481 -4.8481 -4.6658 -4.6658 -3.9799 -3.9799 -3.8438 -3.8438 -3.7213 -3.7213 0.6150 0.6150 4.8319 4.8319 6.6326 6.6326 7.6956 7.6956 8.4652 8.4652 14.1566 14.1566 20.0411 20.0411 20.5894 20.5894 k = 0.5298-0.2371 0.4082 ( 1250 PWs) bands (ev): -4.8498 -4.8498 -4.6658 -4.6658 -3.9803 -3.9803 -3.8436 -3.8436 -3.7205 -3.7205 0.6156 0.6156 4.8162 4.8162 6.7823 6.7823 7.6751 7.6751 8.3252 8.3252 14.0999 14.0999 20.1367 20.1367 20.6713 20.6713 k = 0.5238-0.2474 0.4082 ( 1250 PWs) bands (ev): -4.8513 -4.8513 -4.6657 -4.6657 -3.9806 -3.9806 -3.8435 -3.8435 -3.7197 -3.7197 0.6159 0.6159 4.8033 4.8033 6.9321 6.9321 7.6570 7.6570 8.1846 8.1846 14.0533 14.0533 20.2159 20.2159 20.7446 20.7446 k = 0.5179-0.2577 0.4082 ( 1248 PWs) bands (ev): -4.8524 -4.8524 -4.6656 -4.6656 -3.9809 -3.9809 -3.8434 -3.8434 -3.7192 -3.7192 0.6162 0.6162 4.7933 4.7933 7.0813 7.0813 7.6399 7.6399 8.0457 8.0457 14.0170 14.0170 20.2778 20.2778 20.8063 20.8063 k = 0.5119-0.2681 0.4082 ( 1248 PWs) bands (ev): -4.8532 -4.8532 -4.6656 -4.6656 -3.9811 -3.9811 -3.8434 -3.8434 -3.7188 -3.7188 0.6163 0.6163 4.7861 4.7861 7.2280 7.2280 7.6195 7.6195 7.9146 7.9146 13.9910 13.9910 20.3221 20.3221 20.8535 20.8535 k = 0.5060-0.2784 0.4082 ( 1238 PWs) bands (ev): -4.8537 -4.8537 -4.6655 -4.6655 -3.9812 -3.9812 -3.8433 -3.8433 -3.7185 -3.7185 0.6164 0.6164 4.7819 4.7819 7.3686 7.3686 7.5808 7.5808 7.8098 7.8098 13.9754 13.9754 20.3487 20.3487 20.8832 20.8832 k = 0.5000-0.2887 0.4082 ( 1234 PWs) bands (ev): -4.8539 -4.8539 -4.6655 -4.6655 -3.9812 -3.9812 -3.8433 -3.8433 -3.7184 -3.7184 0.6164 0.6164 4.7804 4.7804 7.4802 7.4802 7.5090 7.5090 7.7691 7.7691 13.9702 13.9702 20.3576 20.3576 20.8933 20.8933 Writing output data file InAs.save init_run : 0.11s CPU 0.23s WALL ( 1 calls) electrons : 31.27s CPU 32.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 31.26s CPU 32.31s 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 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.01s WALL ( 381 calls) cegterg : 28.81s CPU 29.55s WALL ( 382 calls) Called by sum_band: Called by *egterg: h_psi : 12.66s CPU 13.20s WALL ( 6076 calls) s_psi : 0.46s CPU 0.52s WALL ( 6076 calls) g_psi : 0.05s CPU 0.04s WALL ( 5313 calls) cdiaghg : 14.80s CPU 15.12s WALL ( 5694 calls) cegterg:over : 1.12s CPU 0.99s WALL ( 5313 calls) cegterg:upda : 0.68s CPU 0.68s WALL ( 5313 calls) cegterg:last : 0.32s CPU 0.39s WALL ( 1142 calls) cdiaghg:chol : 0.72s CPU 0.77s WALL ( 5694 calls) cdiaghg:inve : 0.25s CPU 0.27s WALL ( 5694 calls) cdiaghg:para : 0.89s CPU 0.99s WALL ( 11388 calls) Called by h_psi: h_psi:vloc : 11.54s CPU 11.95s WALL ( 6076 calls) h_psi:vnl : 1.11s CPU 1.22s WALL ( 6076 calls) add_vuspsi : 0.54s CPU 0.65s WALL ( 6076 calls) General routines calbec : 0.56s CPU 0.56s WALL ( 6076 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 10.82s CPU 11.24s WALL ( 362272 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.12s WALL ( 762 calls) Parallel routines fft_scatter : 6.72s CPU 6.92s WALL ( 362295 calls) PWSCF : 37.95s CPU 49.08s WALL This run was terminated on: 13: 8:15 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=