Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:25:24 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./ZrTaNO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 29 18 5 823 390 67 Max 30 19 6 826 413 72 Sum 1069 649 199 29683 14445 2485 bravais-lattice index = 14 lattice parameter (alat) = 6.8881 a.u. unit-cell volume = 301.3463 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 4 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.888051 celldm(2)= 1.000000 celldm(3)= 1.064746 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.064746 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.939191 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf 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 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Ta 13.00 180.94790 Ta( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class 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'-3C2' 2 -6 -5 -2 5 6 180 deg rotation - cart. axis [0,1,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 11 -12 -11 12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0024631 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0024631 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0024631 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0024631 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0024631 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0024631 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0024631 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0024631 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0024631 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0024631 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0024631 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0024631 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0024631 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0024631 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0024631 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0024631 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0024631 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0024631 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0024631 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0024631 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0024631 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0024631 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0024631 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0024631 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0024631 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0024631 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0024631 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0024631 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0024631 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0024631 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0024631 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0024631 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0024631 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0024631 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0024631 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0024631 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0024631 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0024631 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0024631 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0024631 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0024631 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0024631 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0024631 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0024631 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0024631 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0024631 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0024631 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0024631 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0024631 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024631 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024631 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0024631 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0024631 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0024631 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0024631 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0024631 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0024631 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0024631 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0024631 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0024631 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0024631 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0024631 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0024631 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0024631 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0024631 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0024631 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0024631 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0024631 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0024631 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0024631 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0024631 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0024631 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0024631 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0024631 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0024631 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0024631 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0024631 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0024631 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0024631 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024631 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024631 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0024631 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0024631 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0024631 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0024631 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0024631 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0024631 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0024631 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0024631 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0024631 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0024631 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0024631 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0024631 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0024631 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0024631 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0024631 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0024631 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0024631 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0024631 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0024631 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0024631 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0024631 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0024631 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0024631 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0024631 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0024631 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0024631 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0024631 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0024631 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0024631 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0024631 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0024631 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0024631 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0024631 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0024631 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0024631 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0024631 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0024631 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0024631 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0024631 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0024631 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0024631 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0024631 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0024631 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0024631 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0024631 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0024631 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0024631 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0024631 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0024631 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0024631 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0024631 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0024631 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0024631 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0024631 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0024631 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0024631 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0024631 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 142) = ( 0.0000000 0.0000000 0.0114535), wk = 0.0024631 k( 143) = ( 0.0000000 0.0000000 0.0229071), wk = 0.0024631 k( 144) = ( 0.0000000 0.0000000 0.0343606), wk = 0.0024631 k( 145) = ( 0.0000000 0.0000000 0.0458142), wk = 0.0024631 k( 146) = ( 0.0000000 0.0000000 0.0572677), wk = 0.0024631 k( 147) = ( 0.0000000 0.0000000 0.0687213), wk = 0.0024631 k( 148) = ( 0.0000000 0.0000000 0.0801748), wk = 0.0024631 k( 149) = ( 0.0000000 0.0000000 0.0916284), wk = 0.0024631 k( 150) = ( 0.0000000 0.0000000 0.1030819), wk = 0.0024631 k( 151) = ( 0.0000000 0.0000000 0.1145355), wk = 0.0024631 k( 152) = ( 0.0000000 0.0000000 0.1259890), wk = 0.0024631 k( 153) = ( 0.0000000 0.0000000 0.1374426), wk = 0.0024631 k( 154) = ( 0.0000000 0.0000000 0.1488961), wk = 0.0024631 k( 155) = ( 0.0000000 0.0000000 0.1603497), wk = 0.0024631 k( 156) = ( 0.0000000 0.0000000 0.1718032), wk = 0.0024631 k( 157) = ( 0.0000000 0.0000000 0.1832568), wk = 0.0024631 k( 158) = ( 0.0000000 0.0000000 0.1947103), wk = 0.0024631 k( 159) = ( 0.0000000 0.0000000 0.2061639), wk = 0.0024631 k( 160) = ( 0.0000000 0.0000000 0.2176174), wk = 0.0024631 k( 161) = ( 0.0000000 0.0000000 0.2290710), wk = 0.0024631 k( 162) = ( 0.0000000 0.0000000 0.2405245), wk = 0.0024631 k( 163) = ( 0.0000000 0.0000000 0.2519781), wk = 0.0024631 k( 164) = ( 0.0000000 0.0000000 0.2634316), wk = 0.0024631 k( 165) = ( 0.0000000 0.0000000 0.2748852), wk = 0.0024631 k( 166) = ( 0.0000000 0.0000000 0.2863387), wk = 0.0024631 k( 167) = ( 0.0000000 0.0000000 0.2977922), wk = 0.0024631 k( 168) = ( 0.0000000 0.0000000 0.3092458), wk = 0.0024631 k( 169) = ( 0.0000000 0.0000000 0.3206993), wk = 0.0024631 k( 170) = ( 0.0000000 0.0000000 0.3321529), wk = 0.0024631 k( 171) = ( 0.0000000 0.0000000 0.3436064), wk = 0.0024631 k( 172) = ( 0.0000000 0.0000000 0.3550600), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.3665135), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.3779671), wk = 0.0024631 k( 175) = ( 0.0000000 0.0000000 0.3894206), wk = 0.0024631 k( 176) = ( 0.0000000 0.0000000 0.4008742), wk = 0.0024631 k( 177) = ( 0.0000000 0.0000000 0.4123277), wk = 0.0024631 k( 178) = ( 0.0000000 0.0000000 0.4237813), wk = 0.0024631 k( 179) = ( 0.0000000 0.0000000 0.4352348), wk = 0.0024631 k( 180) = ( 0.0000000 0.0000000 0.4466884), wk = 0.0024631 k( 181) = ( 0.0000000 0.0000000 0.4581419), wk = 0.0024631 k( 182) = ( 0.0000000 0.0000000 0.4695955), wk = 0.0024631 k( 183) = ( 0.0000000 0.0000000 0.4695955), wk = 0.0024631 k( 184) = ( 0.0100000 0.0057735 0.4695955), wk = 0.0024631 k( 185) = ( 0.0200000 0.0115470 0.4695955), wk = 0.0024631 k( 186) = ( 0.0300000 0.0173205 0.4695955), wk = 0.0024631 k( 187) = ( 0.0400000 0.0230940 0.4695955), wk = 0.0024631 k( 188) = ( 0.0500000 0.0288675 0.4695955), wk = 0.0024631 k( 189) = ( 0.0600000 0.0346410 0.4695955), wk = 0.0024631 k( 190) = ( 0.0700000 0.0404145 0.4695955), wk = 0.0024631 k( 191) = ( 0.0800000 0.0461880 0.4695955), wk = 0.0024631 k( 192) = ( 0.0900000 0.0519615 0.4695955), wk = 0.0024631 k( 193) = ( 0.1000000 0.0577350 0.4695955), wk = 0.0024631 k( 194) = ( 0.1100000 0.0635085 0.4695955), wk = 0.0024631 k( 195) = ( 0.1200000 0.0692820 0.4695955), wk = 0.0024631 k( 196) = ( 0.1300000 0.0750555 0.4695955), wk = 0.0024631 k( 197) = ( 0.1400000 0.0808290 0.4695955), wk = 0.0024631 k( 198) = ( 0.1500000 0.0866025 0.4695955), wk = 0.0024631 k( 199) = ( 0.1600000 0.0923760 0.4695955), wk = 0.0024631 k( 200) = ( 0.1700000 0.0981495 0.4695955), wk = 0.0024631 k( 201) = ( 0.1800000 0.1039230 0.4695955), wk = 0.0024631 k( 202) = ( 0.1900000 0.1096966 0.4695955), wk = 0.0024631 k( 203) = ( 0.2000000 0.1154701 0.4695955), wk = 0.0024631 k( 204) = ( 0.2100000 0.1212436 0.4695955), wk = 0.0024631 k( 205) = ( 0.2200000 0.1270171 0.4695955), wk = 0.0024631 k( 206) = ( 0.2300000 0.1327906 0.4695955), wk = 0.0024631 k( 207) = ( 0.2400000 0.1385641 0.4695955), wk = 0.0024631 k( 208) = ( 0.2500000 0.1443376 0.4695955), wk = 0.0024631 k( 209) = ( 0.2600000 0.1501111 0.4695955), wk = 0.0024631 k( 210) = ( 0.2700000 0.1558846 0.4695955), wk = 0.0024631 k( 211) = ( 0.2800000 0.1616581 0.4695955), wk = 0.0024631 k( 212) = ( 0.2900000 0.1674316 0.4695955), wk = 0.0024631 k( 213) = ( 0.3000000 0.1732051 0.4695955), wk = 0.0024631 k( 214) = ( 0.3100000 0.1789786 0.4695955), wk = 0.0024631 k( 215) = ( 0.3200000 0.1847521 0.4695955), wk = 0.0024631 k( 216) = ( 0.3300000 0.1905256 0.4695955), wk = 0.0024631 k( 217) = ( 0.3400000 0.1962991 0.4695955), wk = 0.0024631 k( 218) = ( 0.3500000 0.2020726 0.4695955), wk = 0.0024631 k( 219) = ( 0.3600000 0.2078461 0.4695955), wk = 0.0024631 k( 220) = ( 0.3700000 0.2136196 0.4695955), wk = 0.0024631 k( 221) = ( 0.3800000 0.2193931 0.4695955), wk = 0.0024631 k( 222) = ( 0.3900000 0.2251666 0.4695955), wk = 0.0024631 k( 223) = ( 0.4000000 0.2309401 0.4695955), wk = 0.0024631 k( 224) = ( 0.4100000 0.2367136 0.4695955), wk = 0.0024631 k( 225) = ( 0.4200000 0.2424871 0.4695955), wk = 0.0024631 k( 226) = ( 0.4300000 0.2482606 0.4695955), wk = 0.0024631 k( 227) = ( 0.4400000 0.2540341 0.4695955), wk = 0.0024631 k( 228) = ( 0.4500000 0.2598076 0.4695955), wk = 0.0024631 k( 229) = ( 0.4600000 0.2655811 0.4695955), wk = 0.0024631 k( 230) = ( 0.4700000 0.2713546 0.4695955), wk = 0.0024631 k( 231) = ( 0.4800000 0.2771281 0.4695955), wk = 0.0024631 k( 232) = ( 0.4900000 0.2829016 0.4695955), wk = 0.0024631 k( 233) = ( 0.5000000 0.2886751 0.4695955), wk = 0.0024631 k( 234) = ( 0.5000000 0.2886751 0.4695955), wk = 0.0024631 k( 235) = ( 0.4942529 0.2986294 0.4695955), wk = 0.0024631 k( 236) = ( 0.4885058 0.3085838 0.4695955), wk = 0.0024631 k( 237) = ( 0.4827586 0.3185381 0.4695955), wk = 0.0024631 k( 238) = ( 0.4770115 0.3284924 0.4695955), wk = 0.0024631 k( 239) = ( 0.4712644 0.3384467 0.4695955), wk = 0.0024631 k( 240) = ( 0.4655172 0.3484010 0.4695955), wk = 0.0024631 k( 241) = ( 0.4597701 0.3583553 0.4695955), wk = 0.0024631 k( 242) = ( 0.4540230 0.3683097 0.4695955), wk = 0.0024631 k( 243) = ( 0.4482759 0.3782640 0.4695955), wk = 0.0024631 k( 244) = ( 0.4425287 0.3882183 0.4695955), wk = 0.0024631 k( 245) = ( 0.4367816 0.3981726 0.4695955), wk = 0.0024631 k( 246) = ( 0.4310345 0.4081269 0.4695955), wk = 0.0024631 k( 247) = ( 0.4252874 0.4180812 0.4695955), wk = 0.0024631 k( 248) = ( 0.4195402 0.4280355 0.4695955), wk = 0.0024631 k( 249) = ( 0.4137931 0.4379899 0.4695955), wk = 0.0024631 k( 250) = ( 0.4080460 0.4479442 0.4695955), wk = 0.0024631 k( 251) = ( 0.4022988 0.4578985 0.4695955), wk = 0.0024631 k( 252) = ( 0.3965517 0.4678528 0.4695955), wk = 0.0024631 k( 253) = ( 0.3908046 0.4778071 0.4695955), wk = 0.0024631 k( 254) = ( 0.3850575 0.4877614 0.4695955), wk = 0.0024631 k( 255) = ( 0.3793103 0.4977157 0.4695955), wk = 0.0024631 k( 256) = ( 0.3735632 0.5076701 0.4695955), wk = 0.0024631 k( 257) = ( 0.3678161 0.5176244 0.4695955), wk = 0.0024631 k( 258) = ( 0.3620690 0.5275787 0.4695955), wk = 0.0024631 k( 259) = ( 0.3563218 0.5375330 0.4695955), wk = 0.0024631 k( 260) = ( 0.3505747 0.5474873 0.4695955), wk = 0.0024631 k( 261) = ( 0.3448276 0.5574416 0.4695955), wk = 0.0024631 k( 262) = ( 0.3390805 0.5673960 0.4695955), wk = 0.0024631 k( 263) = ( 0.3333333 0.5773503 0.4695955), wk = 0.0024631 k( 264) = ( 0.3333333 0.5773503 0.4695955), wk = 0.0024631 k( 265) = ( 0.3275862 0.5673960 0.4695955), wk = 0.0024631 k( 266) = ( 0.3218391 0.5574416 0.4695955), wk = 0.0024631 k( 267) = ( 0.3160920 0.5474873 0.4695955), wk = 0.0024631 k( 268) = ( 0.3103448 0.5375330 0.4695955), wk = 0.0024631 k( 269) = ( 0.3045977 0.5275787 0.4695955), wk = 0.0024631 k( 270) = ( 0.2988506 0.5176244 0.4695955), wk = 0.0024631 k( 271) = ( 0.2931034 0.5076701 0.4695955), wk = 0.0024631 k( 272) = ( 0.2873563 0.4977157 0.4695955), wk = 0.0024631 k( 273) = ( 0.2816092 0.4877614 0.4695955), wk = 0.0024631 k( 274) = ( 0.2758621 0.4778071 0.4695955), wk = 0.0024631 k( 275) = ( 0.2701149 0.4678528 0.4695955), wk = 0.0024631 k( 276) = ( 0.2643678 0.4578985 0.4695955), wk = 0.0024631 k( 277) = ( 0.2586207 0.4479442 0.4695955), wk = 0.0024631 k( 278) = ( 0.2528736 0.4379899 0.4695955), wk = 0.0024631 k( 279) = ( 0.2471264 0.4280355 0.4695955), wk = 0.0024631 k( 280) = ( 0.2413793 0.4180812 0.4695955), wk = 0.0024631 k( 281) = ( 0.2356322 0.4081269 0.4695955), wk = 0.0024631 k( 282) = ( 0.2298851 0.3981726 0.4695955), wk = 0.0024631 k( 283) = ( 0.2241379 0.3882183 0.4695955), wk = 0.0024631 k( 284) = ( 0.2183908 0.3782640 0.4695955), wk = 0.0024631 k( 285) = ( 0.2126437 0.3683097 0.4695955), wk = 0.0024631 k( 286) = ( 0.2068966 0.3583553 0.4695955), wk = 0.0024631 k( 287) = ( 0.2011494 0.3484010 0.4695955), wk = 0.0024631 k( 288) = ( 0.1954023 0.3384467 0.4695955), wk = 0.0024631 k( 289) = ( 0.1896552 0.3284924 0.4695955), wk = 0.0024631 k( 290) = ( 0.1839080 0.3185381 0.4695955), wk = 0.0024631 k( 291) = ( 0.1781609 0.3085838 0.4695955), wk = 0.0024631 k( 292) = ( 0.1724138 0.2986294 0.4695955), wk = 0.0024631 k( 293) = ( 0.1666667 0.2886751 0.4695955), wk = 0.0024631 k( 294) = ( 0.1609195 0.2787208 0.4695955), wk = 0.0024631 k( 295) = ( 0.1551724 0.2687665 0.4695955), wk = 0.0024631 k( 296) = ( 0.1494253 0.2588122 0.4695955), wk = 0.0024631 k( 297) = ( 0.1436782 0.2488579 0.4695955), wk = 0.0024631 k( 298) = ( 0.1379310 0.2389036 0.4695955), wk = 0.0024631 k( 299) = ( 0.1321839 0.2289492 0.4695955), wk = 0.0024631 k( 300) = ( 0.1264368 0.2189949 0.4695955), wk = 0.0024631 k( 301) = ( 0.1206897 0.2090406 0.4695955), wk = 0.0024631 k( 302) = ( 0.1149425 0.1990863 0.4695955), wk = 0.0024631 k( 303) = ( 0.1091954 0.1891320 0.4695955), wk = 0.0024631 k( 304) = ( 0.1034483 0.1791777 0.4695955), wk = 0.0024631 k( 305) = ( 0.0977012 0.1692234 0.4695955), wk = 0.0024631 k( 306) = ( 0.0919540 0.1592690 0.4695955), wk = 0.0024631 k( 307) = ( 0.0862069 0.1493147 0.4695955), wk = 0.0024631 k( 308) = ( 0.0804598 0.1393604 0.4695955), wk = 0.0024631 k( 309) = ( 0.0747126 0.1294061 0.4695955), wk = 0.0024631 k( 310) = ( 0.0689655 0.1194518 0.4695955), wk = 0.0024631 k( 311) = ( 0.0632184 0.1094975 0.4695955), wk = 0.0024631 k( 312) = ( 0.0574713 0.0995431 0.4695955), wk = 0.0024631 k( 313) = ( 0.0517241 0.0895888 0.4695955), wk = 0.0024631 k( 314) = ( 0.0459770 0.0796345 0.4695955), wk = 0.0024631 k( 315) = ( 0.0402299 0.0696802 0.4695955), wk = 0.0024631 k( 316) = ( 0.0344828 0.0597259 0.4695955), wk = 0.0024631 k( 317) = ( 0.0287356 0.0497716 0.4695955), wk = 0.0024631 k( 318) = ( 0.0229885 0.0398173 0.4695955), wk = 0.0024631 k( 319) = ( 0.0172414 0.0298629 0.4695955), wk = 0.0024631 k( 320) = ( 0.0114942 0.0199086 0.4695955), wk = 0.0024631 k( 321) = ( 0.0057471 0.0099543 0.4695955), wk = 0.0024631 k( 322) = ( 0.0000000 0.0000000 0.4695955), wk = 0.0024631 k( 323) = ( 0.5000000 0.2886751 0.4695955), wk = 0.0024631 k( 324) = ( 0.5000000 0.2886751 0.4581419), wk = 0.0024631 k( 325) = ( 0.5000000 0.2886751 0.4466884), wk = 0.0024631 k( 326) = ( 0.5000000 0.2886751 0.4352348), wk = 0.0024631 k( 327) = ( 0.5000000 0.2886751 0.4237813), wk = 0.0024631 k( 328) = ( 0.5000000 0.2886751 0.4123277), wk = 0.0024631 k( 329) = ( 0.5000000 0.2886751 0.4008742), wk = 0.0024631 k( 330) = ( 0.5000000 0.2886751 0.3894206), wk = 0.0024631 k( 331) = ( 0.5000000 0.2886751 0.3779671), wk = 0.0024631 k( 332) = ( 0.5000000 0.2886751 0.3665135), wk = 0.0024631 k( 333) = ( 0.5000000 0.2886751 0.3550600), wk = 0.0024631 k( 334) = ( 0.5000000 0.2886751 0.3436064), wk = 0.0024631 k( 335) = ( 0.5000000 0.2886751 0.3321529), wk = 0.0024631 k( 336) = ( 0.5000000 0.2886751 0.3206993), wk = 0.0024631 k( 337) = ( 0.5000000 0.2886751 0.3092458), wk = 0.0024631 k( 338) = ( 0.5000000 0.2886751 0.2977922), wk = 0.0024631 k( 339) = ( 0.5000000 0.2886751 0.2863387), wk = 0.0024631 k( 340) = ( 0.5000000 0.2886751 0.2748852), wk = 0.0024631 k( 341) = ( 0.5000000 0.2886751 0.2634316), wk = 0.0024631 k( 342) = ( 0.5000000 0.2886751 0.2519781), wk = 0.0024631 k( 343) = ( 0.5000000 0.2886751 0.2405245), wk = 0.0024631 k( 344) = ( 0.5000000 0.2886751 0.2290710), wk = 0.0024631 k( 345) = ( 0.5000000 0.2886751 0.2176174), wk = 0.0024631 k( 346) = ( 0.5000000 0.2886751 0.2061639), wk = 0.0024631 k( 347) = ( 0.5000000 0.2886751 0.1947103), wk = 0.0024631 k( 348) = ( 0.5000000 0.2886751 0.1832568), wk = 0.0024631 k( 349) = ( 0.5000000 0.2886751 0.1718032), wk = 0.0024631 k( 350) = ( 0.5000000 0.2886751 0.1603497), wk = 0.0024631 k( 351) = ( 0.5000000 0.2886751 0.1488961), wk = 0.0024631 k( 352) = ( 0.5000000 0.2886751 0.1374426), wk = 0.0024631 k( 353) = ( 0.5000000 0.2886751 0.1259890), wk = 0.0024631 k( 354) = ( 0.5000000 0.2886751 0.1145355), wk = 0.0024631 k( 355) = ( 0.5000000 0.2886751 0.1030819), wk = 0.0024631 k( 356) = ( 0.5000000 0.2886751 0.0916284), wk = 0.0024631 k( 357) = ( 0.5000000 0.2886751 0.0801748), wk = 0.0024631 k( 358) = ( 0.5000000 0.2886751 0.0687213), wk = 0.0024631 k( 359) = ( 0.5000000 0.2886751 0.0572677), wk = 0.0024631 k( 360) = ( 0.5000000 0.2886751 0.0458142), wk = 0.0024631 k( 361) = ( 0.5000000 0.2886751 0.0343606), wk = 0.0024631 k( 362) = ( 0.5000000 0.2886751 0.0229071), wk = 0.0024631 k( 363) = ( 0.5000000 0.2886751 0.0114535), wk = 0.0024631 k( 364) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024631 k( 365) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024631 k( 366) = ( 0.3333333 0.5773503 0.0114535), wk = 0.0024631 k( 367) = ( 0.3333333 0.5773503 0.0229071), wk = 0.0024631 k( 368) = ( 0.3333333 0.5773503 0.0343606), wk = 0.0024631 k( 369) = ( 0.3333333 0.5773503 0.0458142), wk = 0.0024631 k( 370) = ( 0.3333333 0.5773503 0.0572677), wk = 0.0024631 k( 371) = ( 0.3333333 0.5773503 0.0687213), wk = 0.0024631 k( 372) = ( 0.3333333 0.5773503 0.0801748), wk = 0.0024631 k( 373) = ( 0.3333333 0.5773503 0.0916284), wk = 0.0024631 k( 374) = ( 0.3333333 0.5773503 0.1030819), wk = 0.0024631 k( 375) = ( 0.3333333 0.5773503 0.1145355), wk = 0.0024631 k( 376) = ( 0.3333333 0.5773503 0.1259890), wk = 0.0024631 k( 377) = ( 0.3333333 0.5773503 0.1374426), wk = 0.0024631 k( 378) = ( 0.3333333 0.5773503 0.1488961), wk = 0.0024631 k( 379) = ( 0.3333333 0.5773503 0.1603497), wk = 0.0024631 k( 380) = ( 0.3333333 0.5773503 0.1718032), wk = 0.0024631 k( 381) = ( 0.3333333 0.5773503 0.1832568), wk = 0.0024631 k( 382) = ( 0.3333333 0.5773503 0.1947103), wk = 0.0024631 k( 383) = ( 0.3333333 0.5773503 0.2061639), wk = 0.0024631 k( 384) = ( 0.3333333 0.5773503 0.2176174), wk = 0.0024631 k( 385) = ( 0.3333333 0.5773503 0.2290710), wk = 0.0024631 k( 386) = ( 0.3333333 0.5773503 0.2405245), wk = 0.0024631 k( 387) = ( 0.3333333 0.5773503 0.2519781), wk = 0.0024631 k( 388) = ( 0.3333333 0.5773503 0.2634316), wk = 0.0024631 k( 389) = ( 0.3333333 0.5773503 0.2748852), wk = 0.0024631 k( 390) = ( 0.3333333 0.5773503 0.2863387), wk = 0.0024631 k( 391) = ( 0.3333333 0.5773503 0.2977922), wk = 0.0024631 k( 392) = ( 0.3333333 0.5773503 0.3092458), wk = 0.0024631 k( 393) = ( 0.3333333 0.5773503 0.3206993), wk = 0.0024631 k( 394) = ( 0.3333333 0.5773503 0.3321529), wk = 0.0024631 k( 395) = ( 0.3333333 0.5773503 0.3436064), wk = 0.0024631 k( 396) = ( 0.3333333 0.5773503 0.3550600), wk = 0.0024631 k( 397) = ( 0.3333333 0.5773503 0.3665135), wk = 0.0024631 k( 398) = ( 0.3333333 0.5773503 0.3779671), wk = 0.0024631 k( 399) = ( 0.3333333 0.5773503 0.3894206), wk = 0.0024631 k( 400) = ( 0.3333333 0.5773503 0.4008742), wk = 0.0024631 k( 401) = ( 0.3333333 0.5773503 0.4123277), wk = 0.0024631 k( 402) = ( 0.3333333 0.5773503 0.4237813), wk = 0.0024631 k( 403) = ( 0.3333333 0.5773503 0.4352348), wk = 0.0024631 k( 404) = ( 0.3333333 0.5773503 0.4466884), wk = 0.0024631 k( 405) = ( 0.3333333 0.5773503 0.4581419), wk = 0.0024631 k( 406) = ( 0.3333333 0.5773503 0.4695955), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0100000 0.0000000 -0.0000000), wk = 0.0024631 k( 3) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0024631 k( 4) = ( 0.0300000 0.0000000 -0.0000000), wk = 0.0024631 k( 5) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0024631 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0024631 k( 7) = ( 0.0600000 0.0000000 -0.0000000), wk = 0.0024631 k( 8) = ( 0.0700000 0.0000000 -0.0000000), wk = 0.0024631 k( 9) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0024631 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0024631 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0024631 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0024631 k( 13) = ( 0.1200000 0.0000000 -0.0000000), wk = 0.0024631 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0024631 k( 15) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0024631 k( 16) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0024631 k( 17) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0024631 k( 18) = ( 0.1700000 0.0000000 -0.0000000), wk = 0.0024631 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0024631 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0024631 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0024631 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0024631 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0024631 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0024631 k( 25) = ( 0.2400000 0.0000000 -0.0000000), wk = 0.0024631 k( 26) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024631 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0024631 k( 28) = ( 0.2700000 0.0000000 -0.0000000), wk = 0.0024631 k( 29) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0024631 k( 30) = ( 0.2900000 0.0000000 -0.0000000), wk = 0.0024631 k( 31) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0024631 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0024631 k( 33) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0024631 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0024631 k( 35) = ( 0.3400000 0.0000000 -0.0000000), wk = 0.0024631 k( 36) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0024631 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0024631 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0024631 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0024631 k( 40) = ( 0.3900000 0.0000000 -0.0000000), wk = 0.0024631 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0024631 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0024631 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0024631 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0024631 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0024631 k( 46) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0024631 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0024631 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0024631 k( 49) = ( 0.4800000 0.0000000 -0.0000000), wk = 0.0024631 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0024631 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024631 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024631 k( 53) = ( 0.4942529 0.0114943 -0.0000000), wk = 0.0024631 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0024631 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0024631 k( 56) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0024631 k( 57) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0024631 k( 58) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0024631 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0024631 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0024631 k( 61) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0024631 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0024631 k( 63) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0024631 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0024631 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0024631 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0024631 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0024631 k( 68) = ( 0.4080460 0.1839081 -0.0000000), wk = 0.0024631 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0024631 k( 70) = ( 0.3965517 0.2068966 0.0000000), wk = 0.0024631 k( 71) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0024631 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0024631 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0024631 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0024631 k( 75) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0024631 k( 76) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0024631 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0024631 k( 78) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0024631 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0024631 k( 80) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0024631 k( 81) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024631 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024631 k( 83) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0024631 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0024631 k( 85) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0024631 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0024631 k( 87) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0024631 k( 88) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0024631 k( 89) = ( 0.2931034 0.2931035 0.0000000), wk = 0.0024631 k( 90) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0024631 k( 91) = ( 0.2816092 0.2816092 -0.0000000), wk = 0.0024631 k( 92) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0024631 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0024631 k( 94) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0024631 k( 95) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0024631 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0024631 k( 97) = ( 0.2471264 0.2471264 -0.0000000), wk = 0.0024631 k( 98) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0024631 k( 99) = ( 0.2356322 0.2356322 -0.0000000), wk = 0.0024631 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0024631 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0024631 k( 102) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0024631 k( 103) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0024631 k( 104) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0024631 k( 105) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0024631 k( 106) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0024631 k( 107) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0024631 k( 108) = ( 0.1839080 0.1839081 -0.0000000), wk = 0.0024631 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0024631 k( 110) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0024631 k( 111) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024631 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0024631 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0024631 k( 114) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0024631 k( 115) = ( 0.1436782 0.1436782 -0.0000000), wk = 0.0024631 k( 116) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0024631 k( 117) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0024631 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0024631 k( 119) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0024631 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0024631 k( 121) = ( 0.1091954 0.1091954 -0.0000000), wk = 0.0024631 k( 122) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0024631 k( 123) = ( 0.0977012 0.0977012 0.0000000), wk = 0.0024631 k( 124) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0024631 k( 125) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0024631 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0024631 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0024631 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0024631 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0024631 k( 130) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0024631 k( 131) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0024631 k( 132) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0024631 k( 133) = ( 0.0402299 0.0402299 -0.0000000), wk = 0.0024631 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0024631 k( 135) = ( 0.0287356 0.0287356 -0.0000000), wk = 0.0024631 k( 136) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0024631 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0024631 k( 138) = ( 0.0114942 0.0114943 -0.0000000), wk = 0.0024631 k( 139) = ( 0.0057471 0.0057471 0.0000000), wk = 0.0024631 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 142) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0024631 k( 143) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0024631 k( 144) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0024631 k( 145) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0024631 k( 146) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0024631 k( 147) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0024631 k( 148) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0024631 k( 149) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0024631 k( 150) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0024631 k( 151) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0024631 k( 152) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0024631 k( 153) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0024631 k( 154) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0024631 k( 155) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0024631 k( 156) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0024631 k( 157) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0024631 k( 158) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0024631 k( 159) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0024631 k( 160) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0024631 k( 161) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0024631 k( 162) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0024631 k( 163) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0024631 k( 164) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0024631 k( 165) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0024631 k( 166) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0024631 k( 167) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0024631 k( 168) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0024631 k( 169) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0024631 k( 170) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0024631 k( 171) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0024631 k( 172) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0024631 k( 175) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0024631 k( 176) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0024631 k( 177) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0024631 k( 178) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0024631 k( 179) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0024631 k( 180) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0024631 k( 181) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0024631 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 184) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0024631 k( 185) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0024631 k( 186) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0024631 k( 187) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0024631 k( 188) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0024631 k( 189) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0024631 k( 190) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0024631 k( 191) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0024631 k( 192) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0024631 k( 193) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0024631 k( 194) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0024631 k( 195) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0024631 k( 196) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0024631 k( 197) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0024631 k( 198) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0024631 k( 199) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0024631 k( 200) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0024631 k( 201) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0024631 k( 202) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0024631 k( 203) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0024631 k( 204) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0024631 k( 205) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0024631 k( 206) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0024631 k( 207) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0024631 k( 208) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0024631 k( 209) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0024631 k( 210) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0024631 k( 211) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0024631 k( 212) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0024631 k( 213) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0024631 k( 214) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0024631 k( 215) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0024631 k( 216) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0024631 k( 217) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0024631 k( 218) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0024631 k( 219) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0024631 k( 220) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0024631 k( 221) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0024631 k( 222) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0024631 k( 223) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0024631 k( 224) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0024631 k( 225) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0024631 k( 226) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0024631 k( 227) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0024631 k( 228) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0024631 k( 229) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0024631 k( 230) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0024631 k( 231) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0024631 k( 232) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0024631 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024631 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024631 k( 235) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0024631 k( 236) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0024631 k( 237) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0024631 k( 238) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0024631 k( 239) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0024631 k( 240) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0024631 k( 241) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0024631 k( 242) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0024631 k( 243) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0024631 k( 244) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0024631 k( 245) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0024631 k( 246) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0024631 k( 247) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0024631 k( 248) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0024631 k( 249) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0024631 k( 250) = ( 0.4080460 0.1839081 0.5000000), wk = 0.0024631 k( 251) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0024631 k( 252) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0024631 k( 253) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0024631 k( 254) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0024631 k( 255) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0024631 k( 256) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0024631 k( 257) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0024631 k( 258) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0024631 k( 259) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0024631 k( 260) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0024631 k( 261) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0024631 k( 262) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0024631 k( 263) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024631 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024631 k( 265) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0024631 k( 266) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0024631 k( 267) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0024631 k( 268) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0024631 k( 269) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0024631 k( 270) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0024631 k( 271) = ( 0.2931034 0.2931035 0.5000000), wk = 0.0024631 k( 272) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0024631 k( 273) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0024631 k( 274) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0024631 k( 275) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0024631 k( 276) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0024631 k( 277) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0024631 k( 278) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0024631 k( 279) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0024631 k( 280) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0024631 k( 281) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0024631 k( 282) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0024631 k( 283) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0024631 k( 284) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0024631 k( 285) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0024631 k( 286) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0024631 k( 287) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0024631 k( 288) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0024631 k( 289) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0024631 k( 290) = ( 0.1839080 0.1839081 0.5000000), wk = 0.0024631 k( 291) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0024631 k( 292) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0024631 k( 293) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024631 k( 294) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0024631 k( 295) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0024631 k( 296) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0024631 k( 297) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0024631 k( 298) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0024631 k( 299) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0024631 k( 300) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0024631 k( 301) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0024631 k( 302) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0024631 k( 303) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0024631 k( 304) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0024631 k( 305) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0024631 k( 306) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0024631 k( 307) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0024631 k( 308) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0024631 k( 309) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0024631 k( 310) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0024631 k( 311) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0024631 k( 312) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0024631 k( 313) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0024631 k( 314) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0024631 k( 315) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0024631 k( 316) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0024631 k( 317) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0024631 k( 318) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0024631 k( 319) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0024631 k( 320) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0024631 k( 321) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0024631 k( 322) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 323) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024631 k( 324) = ( 0.5000000 0.0000000 0.4878049), wk = 0.0024631 k( 325) = ( 0.5000000 0.0000000 0.4756098), wk = 0.0024631 k( 326) = ( 0.5000000 0.0000000 0.4634146), wk = 0.0024631 k( 327) = ( 0.5000000 0.0000000 0.4512195), wk = 0.0024631 k( 328) = ( 0.5000000 0.0000000 0.4390244), wk = 0.0024631 k( 329) = ( 0.5000000 0.0000000 0.4268293), wk = 0.0024631 k( 330) = ( 0.5000000 0.0000000 0.4146341), wk = 0.0024631 k( 331) = ( 0.5000000 0.0000000 0.4024390), wk = 0.0024631 k( 332) = ( 0.5000000 0.0000000 0.3902439), wk = 0.0024631 k( 333) = ( 0.5000000 0.0000000 0.3780488), wk = 0.0024631 k( 334) = ( 0.5000000 0.0000000 0.3658537), wk = 0.0024631 k( 335) = ( 0.5000000 0.0000000 0.3536585), wk = 0.0024631 k( 336) = ( 0.5000000 0.0000000 0.3414634), wk = 0.0024631 k( 337) = ( 0.5000000 0.0000000 0.3292683), wk = 0.0024631 k( 338) = ( 0.5000000 0.0000000 0.3170732), wk = 0.0024631 k( 339) = ( 0.5000000 0.0000000 0.3048781), wk = 0.0024631 k( 340) = ( 0.5000000 0.0000000 0.2926829), wk = 0.0024631 k( 341) = ( 0.5000000 0.0000000 0.2804878), wk = 0.0024631 k( 342) = ( 0.5000000 0.0000000 0.2682927), wk = 0.0024631 k( 343) = ( 0.5000000 0.0000000 0.2560976), wk = 0.0024631 k( 344) = ( 0.5000000 0.0000000 0.2439024), wk = 0.0024631 k( 345) = ( 0.5000000 0.0000000 0.2317073), wk = 0.0024631 k( 346) = ( 0.5000000 0.0000000 0.2195122), wk = 0.0024631 k( 347) = ( 0.5000000 0.0000000 0.2073171), wk = 0.0024631 k( 348) = ( 0.5000000 0.0000000 0.1951219), wk = 0.0024631 k( 349) = ( 0.5000000 0.0000000 0.1829268), wk = 0.0024631 k( 350) = ( 0.5000000 0.0000000 0.1707317), wk = 0.0024631 k( 351) = ( 0.5000000 0.0000000 0.1585366), wk = 0.0024631 k( 352) = ( 0.5000000 0.0000000 0.1463415), wk = 0.0024631 k( 353) = ( 0.5000000 0.0000000 0.1341463), wk = 0.0024631 k( 354) = ( 0.5000000 0.0000000 0.1219512), wk = 0.0024631 k( 355) = ( 0.5000000 0.0000000 0.1097561), wk = 0.0024631 k( 356) = ( 0.5000000 0.0000000 0.0975610), wk = 0.0024631 k( 357) = ( 0.5000000 0.0000000 0.0853658), wk = 0.0024631 k( 358) = ( 0.5000000 0.0000000 0.0731707), wk = 0.0024631 k( 359) = ( 0.5000000 0.0000000 0.0609756), wk = 0.0024631 k( 360) = ( 0.5000000 0.0000000 0.0487805), wk = 0.0024631 k( 361) = ( 0.5000000 0.0000000 0.0365854), wk = 0.0024631 k( 362) = ( 0.5000000 0.0000000 0.0243902), wk = 0.0024631 k( 363) = ( 0.5000000 0.0000000 0.0121951), wk = 0.0024631 k( 364) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024631 k( 365) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024631 k( 366) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0024631 k( 367) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0024631 k( 368) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0024631 k( 369) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0024631 k( 370) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0024631 k( 371) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0024631 k( 372) = ( 0.3333333 0.3333333 0.0853658), wk = 0.0024631 k( 373) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0024631 k( 374) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0024631 k( 375) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0024631 k( 376) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0024631 k( 377) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0024631 k( 378) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0024631 k( 379) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0024631 k( 380) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0024631 k( 381) = ( 0.3333333 0.3333333 0.1951220), wk = 0.0024631 k( 382) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0024631 k( 383) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0024631 k( 384) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0024631 k( 385) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0024631 k( 386) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0024631 k( 387) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0024631 k( 388) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0024631 k( 389) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0024631 k( 390) = ( 0.3333333 0.3333333 0.3048781), wk = 0.0024631 k( 391) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0024631 k( 392) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0024631 k( 393) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0024631 k( 394) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0024631 k( 395) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0024631 k( 396) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0024631 k( 397) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0024631 k( 398) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0024631 k( 399) = ( 0.3333333 0.3333333 0.4146341), wk = 0.0024631 k( 400) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0024631 k( 401) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0024631 k( 402) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0024631 k( 403) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0024631 k( 404) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0024631 k( 405) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0024631 k( 406) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024631 Dense grid: 29683 G-vectors FFT dimensions: ( 40, 40, 45) Smooth grid: 14445 G-vectors FFT dimensions: ( 32, 32, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 112, 36) NL pseudopotentials 0.07 Mb ( 56, 78) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 825) G-vector shells 0.00 Mb ( 376) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 112, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.09 Mb ( 78, 2, 36) The potential is recalculated from file : ./ZrTaNO.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.3 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.5 secs Computing kpt #: 14 total cpu time spent up to now is 5.8 secs Computing kpt #: 15 total cpu time spent up to now is 6.1 secs Computing kpt #: 16 total cpu time spent up to now is 6.4 secs Computing kpt #: 17 total cpu time spent up to now is 6.7 secs Computing kpt #: 18 total cpu time spent up to now is 7.0 secs Computing kpt #: 19 total cpu time spent up to now is 7.3 secs Computing kpt #: 20 total cpu time spent up to now is 7.7 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.6 secs Computing kpt #: 23 total cpu time spent up to now is 9.0 secs Computing kpt #: 24 total cpu time spent up to now is 9.4 secs Computing kpt #: 25 total cpu time spent up to now is 9.7 secs Computing kpt #: 26 total cpu time spent up to now is 10.0 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.7 secs Computing kpt #: 29 total cpu time spent up to now is 11.0 secs Computing kpt #: 30 total cpu time spent up to now is 11.3 secs Computing kpt #: 31 total cpu time spent up to now is 11.6 secs Computing kpt #: 32 total cpu time spent up to now is 11.9 secs Computing kpt #: 33 total cpu time spent up to now is 12.2 secs Computing kpt #: 34 total cpu time spent up to now is 12.6 secs Computing kpt #: 35 total cpu time spent up to now is 12.9 secs Computing kpt #: 36 total cpu time spent up to now is 13.2 secs Computing kpt #: 37 total cpu time spent up to now is 13.6 secs Computing kpt #: 38 total cpu time spent up to now is 13.9 secs Computing kpt #: 39 total cpu time spent up to now is 14.2 secs Computing kpt #: 40 total cpu time spent up to now is 14.5 secs Computing kpt #: 41 total cpu time spent up to now is 14.9 secs Computing kpt #: 42 total cpu time spent up to now is 15.1 secs Computing kpt #: 43 total cpu time spent up to now is 15.5 secs Computing kpt #: 44 total cpu time spent up to now is 15.8 secs Computing kpt #: 45 total cpu time spent up to now is 16.1 secs Computing kpt #: 46 total cpu time spent up to now is 16.4 secs Computing kpt #: 47 total cpu time spent up to now is 16.7 secs Computing kpt #: 48 total cpu time spent up to now is 17.0 secs Computing kpt #: 49 total cpu time spent up to now is 17.3 secs Computing kpt #: 50 total cpu time spent up to now is 17.6 secs Computing kpt #: 51 total cpu time spent up to now is 17.9 secs Computing kpt #: 52 total cpu time spent up to now is 18.2 secs Computing kpt #: 53 total cpu time spent up to now is 18.5 secs Computing kpt #: 54 total cpu time spent up to now is 18.8 secs Computing kpt #: 55 total cpu time spent up to now is 19.1 secs Computing kpt #: 56 total cpu time spent up to now is 19.4 secs Computing kpt #: 57 total cpu time spent up to now is 19.7 secs Computing kpt #: 58 total cpu time spent up to now is 20.0 secs Computing kpt #: 59 total cpu time spent up to now is 20.3 secs Computing kpt #: 60 total cpu time spent up to now is 20.6 secs Computing kpt #: 61 total cpu time spent up to now is 20.9 secs Computing kpt #: 62 total cpu time spent up to now is 21.2 secs Computing kpt #: 63 total cpu time spent up to now is 21.5 secs Computing kpt #: 64 total cpu time spent up to now is 21.8 secs Computing kpt #: 65 total cpu time spent up to now is 22.1 secs Computing kpt #: 66 total cpu time spent up to now is 22.4 secs Computing kpt #: 67 total cpu time spent up to now is 22.7 secs Computing kpt #: 68 total cpu time spent up to now is 23.1 secs Computing kpt #: 69 total cpu time spent up to now is 23.4 secs Computing kpt #: 70 total cpu time spent up to now is 23.7 secs Computing kpt #: 71 total cpu time spent up to now is 24.0 secs Computing kpt #: 72 total cpu time spent up to now is 24.3 secs Computing kpt #: 73 total cpu time spent up to now is 24.6 secs Computing kpt #: 74 total cpu time spent up to now is 24.9 secs Computing kpt #: 75 total cpu time spent up to now is 25.2 secs Computing kpt #: 76 total cpu time spent up to now is 25.5 secs Computing kpt #: 77 total cpu time spent up to now is 25.7 secs Computing kpt #: 78 total cpu time spent up to now is 26.0 secs Computing kpt #: 79 total cpu time spent up to now is 26.3 secs Computing kpt #: 80 total cpu time spent up to now is 26.5 secs Computing kpt #: 81 total cpu time spent up to now is 26.7 secs Computing kpt #: 82 total cpu time spent up to now is 27.0 secs Computing kpt #: 83 total cpu time spent up to now is 27.3 secs Computing kpt #: 84 total cpu time spent up to now is 27.5 secs Computing kpt #: 85 total cpu time spent up to now is 27.8 secs Computing kpt #: 86 total cpu time spent up to now is 28.3 secs Computing kpt #: 87 total cpu time spent up to now is 28.6 secs Computing kpt #: 88 total cpu time spent up to now is 28.9 secs Computing kpt #: 89 total cpu time spent up to now is 29.2 secs Computing kpt #: 90 total cpu time spent up to now is 29.5 secs Computing kpt #: 91 total cpu time spent up to now is 29.7 secs Computing kpt #: 92 total cpu time spent up to now is 30.1 secs Computing kpt #: 93 total cpu time spent up to now is 30.3 secs Computing kpt #: 94 total cpu time spent up to now is 30.6 secs Computing kpt #: 95 total cpu time spent up to now is 30.9 secs Computing kpt #: 96 total cpu time spent up to now is 31.3 secs Computing kpt #: 97 total cpu time spent up to now is 31.6 secs Computing kpt #: 98 total cpu time spent up to now is 31.9 secs Computing kpt #: 99 total cpu time spent up to now is 32.2 secs Computing kpt #: 100 total cpu time spent up to now is 32.5 secs Computing kpt #: 101 total cpu time spent up to now is 32.8 secs Computing kpt #: 102 total cpu time spent up to now is 33.1 secs Computing kpt #: 103 total cpu time spent up to now is 33.5 secs Computing kpt #: 104 total cpu time spent up to now is 33.8 secs Computing kpt #: 105 total cpu time spent up to now is 34.1 secs Computing kpt #: 106 total cpu time spent up to now is 34.5 secs Computing kpt #: 107 total cpu time spent up to now is 34.8 secs Computing kpt #: 108 total cpu time spent up to now is 35.2 secs Computing kpt #: 109 total cpu time spent up to now is 35.6 secs Computing kpt #: 110 total cpu time spent up to now is 36.1 secs Computing kpt #: 111 total cpu time spent up to now is 36.4 secs Computing kpt #: 112 total cpu time spent up to now is 36.8 secs Computing kpt #: 113 total cpu time spent up to now is 37.1 secs Computing kpt #: 114 total cpu time spent up to now is 37.5 secs Computing kpt #: 115 total cpu time spent up to now is 37.8 secs Computing kpt #: 116 total cpu time spent up to now is 38.1 secs Computing kpt #: 117 total cpu time spent up to now is 38.6 secs Computing kpt #: 118 total cpu time spent up to now is 38.9 secs Computing kpt #: 119 total cpu time spent up to now is 39.4 secs Computing kpt #: 120 total cpu time spent up to now is 39.7 secs Computing kpt #: 121 total cpu time spent up to now is 40.0 secs Computing kpt #: 122 total cpu time spent up to now is 40.3 secs Computing kpt #: 123 total cpu time spent up to now is 40.6 secs Computing kpt #: 124 total cpu time spent up to now is 40.9 secs Computing kpt #: 125 total cpu time spent up to now is 41.2 secs Computing kpt #: 126 total cpu time spent up to now is 41.6 secs Computing kpt #: 127 total cpu time spent up to now is 41.9 secs Computing kpt #: 128 total cpu time spent up to now is 42.1 secs Computing kpt #: 129 total cpu time spent up to now is 42.4 secs Computing kpt #: 130 total cpu time spent up to now is 42.7 secs Computing kpt #: 131 total cpu time spent up to now is 43.0 secs Computing kpt #: 132 total cpu time spent up to now is 43.3 secs Computing kpt #: 133 total cpu time spent up to now is 43.6 secs Computing kpt #: 134 total cpu time spent up to now is 43.8 secs Computing kpt #: 135 total cpu time spent up to now is 44.1 secs Computing kpt #: 136 total cpu time spent up to now is 44.3 secs Computing kpt #: 137 total cpu time spent up to now is 44.6 secs Computing kpt #: 138 total cpu time spent up to now is 44.8 secs Computing kpt #: 139 total cpu time spent up to now is 45.0 secs Computing kpt #: 140 total cpu time spent up to now is 45.3 secs Computing kpt #: 141 total cpu time spent up to now is 45.5 secs Computing kpt #: 142 total cpu time spent up to now is 45.8 secs Computing kpt #: 143 total cpu time spent up to now is 46.0 secs Computing kpt #: 144 total cpu time spent up to now is 46.3 secs Computing kpt #: 145 total cpu time spent up to now is 46.5 secs Computing kpt #: 146 total cpu time spent up to now is 46.7 secs Computing kpt #: 147 total cpu time spent up to now is 47.0 secs Computing kpt #: 148 total cpu time spent up to now is 47.3 secs Computing kpt #: 149 total cpu time spent up to now is 47.5 secs Computing kpt #: 150 total cpu time spent up to now is 47.8 secs Computing kpt #: 151 total cpu time spent up to now is 48.0 secs Computing kpt #: 152 total cpu time spent up to now is 48.3 secs Computing kpt #: 153 total cpu time spent up to now is 48.5 secs Computing kpt #: 154 total cpu time spent up to now is 48.8 secs Computing kpt #: 155 total cpu time spent up to now is 49.1 secs Computing kpt #: 156 total cpu time spent up to now is 49.3 secs Computing kpt #: 157 total cpu time spent up to now is 49.6 secs Computing kpt #: 158 total cpu time spent up to now is 49.8 secs Computing kpt #: 159 total cpu time spent up to now is 50.1 secs Computing kpt #: 160 total cpu time spent up to now is 50.3 secs Computing kpt #: 161 total cpu time spent up to now is 50.5 secs Computing kpt #: 162 total cpu time spent up to now is 50.8 secs Computing kpt #: 163 total cpu time spent up to now is 51.1 secs Computing kpt #: 164 total cpu time spent up to now is 51.3 secs Computing kpt #: 165 total cpu time spent up to now is 51.5 secs Computing kpt #: 166 total cpu time spent up to now is 51.8 secs Computing kpt #: 167 total cpu time spent up to now is 52.0 secs Computing kpt #: 168 total cpu time spent up to now is 52.3 secs Computing kpt #: 169 total cpu time spent up to now is 52.5 secs Computing kpt #: 170 total cpu time spent up to now is 52.8 secs Computing kpt #: 171 total cpu time spent up to now is 53.0 secs Computing kpt #: 172 total cpu time spent up to now is 53.3 secs Computing kpt #: 173 total cpu time spent up to now is 53.5 secs Computing kpt #: 174 total cpu time spent up to now is 53.8 secs Computing kpt #: 175 total cpu time spent up to now is 54.0 secs Computing kpt #: 176 total cpu time spent up to now is 54.2 secs Computing kpt #: 177 total cpu time spent up to now is 54.5 secs Computing kpt #: 178 total cpu time spent up to now is 54.7 secs Computing kpt #: 179 total cpu time spent up to now is 55.0 secs Computing kpt #: 180 total cpu time spent up to now is 55.3 secs Computing kpt #: 181 total cpu time spent up to now is 55.5 secs Computing kpt #: 182 total cpu time spent up to now is 55.7 secs Computing kpt #: 183 total cpu time spent up to now is 56.0 secs Computing kpt #: 184 total cpu time spent up to now is 56.3 secs Computing kpt #: 185 total cpu time spent up to now is 56.5 secs Computing kpt #: 186 total cpu time spent up to now is 56.8 secs Computing kpt #: 187 total cpu time spent up to now is 57.0 secs Computing kpt #: 188 total cpu time spent up to now is 57.3 secs Computing kpt #: 189 total cpu time spent up to now is 57.5 secs Computing kpt #: 190 total cpu time spent up to now is 57.8 secs Computing kpt #: 191 total cpu time spent up to now is 58.1 secs Computing kpt #: 192 total cpu time spent up to now is 58.3 secs Computing kpt #: 193 total cpu time spent up to now is 58.6 secs Computing kpt #: 194 total cpu time spent up to now is 58.9 secs Computing kpt #: 195 total cpu time spent up to now is 59.2 secs Computing kpt #: 196 total cpu time spent up to now is 59.5 secs Computing kpt #: 197 total cpu time spent up to now is 59.8 secs Computing kpt #: 198 total cpu time spent up to now is 60.1 secs Computing kpt #: 199 total cpu time spent up to now is 60.3 secs Computing kpt #: 200 total cpu time spent up to now is 60.6 secs Computing kpt #: 201 total cpu time spent up to now is 60.9 secs Computing kpt #: 202 total cpu time spent up to now is 61.2 secs Computing kpt #: 203 total cpu time spent up to now is 61.5 secs Computing kpt #: 204 total cpu time spent up to now is 61.8 secs Computing kpt #: 205 total cpu time spent up to now is 62.1 secs Computing kpt #: 206 total cpu time spent up to now is 62.5 secs Computing kpt #: 207 total cpu time spent up to now is 62.8 secs Computing kpt #: 208 total cpu time spent up to now is 63.2 secs Computing kpt #: 209 total cpu time spent up to now is 63.6 secs Computing kpt #: 210 total cpu time spent up to now is 64.0 secs Computing kpt #: 211 total cpu time spent up to now is 64.2 secs Computing kpt #: 212 total cpu time spent up to now is 64.5 secs Computing kpt #: 213 total cpu time spent up to now is 64.9 secs Computing kpt #: 214 total cpu time spent up to now is 65.2 secs Computing kpt #: 215 total cpu time spent up to now is 65.5 secs Computing kpt #: 216 total cpu time spent up to now is 65.7 secs Computing kpt #: 217 total cpu time spent up to now is 66.0 secs Computing kpt #: 218 total cpu time spent up to now is 66.3 secs Computing kpt #: 219 total cpu time spent up to now is 66.6 secs Computing kpt #: 220 total cpu time spent up to now is 66.9 secs Computing kpt #: 221 total cpu time spent up to now is 67.2 secs Computing kpt #: 222 total cpu time spent up to now is 67.5 secs Computing kpt #: 223 total cpu time spent up to now is 67.7 secs Computing kpt #: 224 total cpu time spent up to now is 68.0 secs Computing kpt #: 225 total cpu time spent up to now is 68.3 secs Computing kpt #: 226 total cpu time spent up to now is 68.6 secs Computing kpt #: 227 total cpu time spent up to now is 68.9 secs Computing kpt #: 228 total cpu time spent up to now is 69.1 secs Computing kpt #: 229 total cpu time spent up to now is 69.4 secs Computing kpt #: 230 total cpu time spent up to now is 69.7 secs Computing kpt #: 231 total cpu time spent up to now is 70.0 secs Computing kpt #: 232 total cpu time spent up to now is 70.3 secs Computing kpt #: 233 total cpu time spent up to now is 70.5 secs Computing kpt #: 234 total cpu time spent up to now is 70.8 secs Computing kpt #: 235 total cpu time spent up to now is 71.1 secs Computing kpt #: 236 total cpu time spent up to now is 71.4 secs Computing kpt #: 237 total cpu time spent up to now is 71.7 secs Computing kpt #: 238 total cpu time spent up to now is 71.9 secs Computing kpt #: 239 total cpu time spent up to now is 72.2 secs Computing kpt #: 240 total cpu time spent up to now is 72.5 secs Computing kpt #: 241 total cpu time spent up to now is 72.8 secs Computing kpt #: 242 total cpu time spent up to now is 73.1 secs Computing kpt #: 243 total cpu time spent up to now is 73.3 secs Computing kpt #: 244 total cpu time spent up to now is 73.6 secs Computing kpt #: 245 total cpu time spent up to now is 73.9 secs Computing kpt #: 246 total cpu time spent up to now is 74.2 secs Computing kpt #: 247 total cpu time spent up to now is 74.5 secs Computing kpt #: 248 total cpu time spent up to now is 74.7 secs Computing kpt #: 249 total cpu time spent up to now is 75.0 secs Computing kpt #: 250 total cpu time spent up to now is 75.3 secs Computing kpt #: 251 total cpu time spent up to now is 75.6 secs Computing kpt #: 252 total cpu time spent up to now is 75.9 secs Computing kpt #: 253 total cpu time spent up to now is 76.2 secs Computing kpt #: 254 total cpu time spent up to now is 76.5 secs Computing kpt #: 255 total cpu time spent up to now is 76.7 secs Computing kpt #: 256 total cpu time spent up to now is 77.0 secs Computing kpt #: 257 total cpu time spent up to now is 77.3 secs Computing kpt #: 258 total cpu time spent up to now is 77.6 secs Computing kpt #: 259 total cpu time spent up to now is 77.8 secs Computing kpt #: 260 total cpu time spent up to now is 78.1 secs Computing kpt #: 261 total cpu time spent up to now is 78.4 secs Computing kpt #: 262 total cpu time spent up to now is 78.6 secs Computing kpt #: 263 total cpu time spent up to now is 78.9 secs Computing kpt #: 264 total cpu time spent up to now is 79.1 secs Computing kpt #: 265 total cpu time spent up to now is 79.4 secs Computing kpt #: 266 total cpu time spent up to now is 79.7 secs Computing kpt #: 267 total cpu time spent up to now is 79.9 secs Computing kpt #: 268 total cpu time spent up to now is 80.2 secs Computing kpt #: 269 total cpu time spent up to now is 80.5 secs Computing kpt #: 270 total cpu time spent up to now is 80.8 secs Computing kpt #: 271 total cpu time spent up to now is 81.1 secs Computing kpt #: 272 total cpu time spent up to now is 81.4 secs Computing kpt #: 273 total cpu time spent up to now is 81.7 secs Computing kpt #: 274 total cpu time spent up to now is 81.9 secs Computing kpt #: 275 total cpu time spent up to now is 82.2 secs Computing kpt #: 276 total cpu time spent up to now is 82.5 secs Computing kpt #: 277 total cpu time spent up to now is 82.8 secs Computing kpt #: 278 total cpu time spent up to now is 83.1 secs Computing kpt #: 279 total cpu time spent up to now is 83.4 secs Computing kpt #: 280 total cpu time spent up to now is 83.7 secs Computing kpt #: 281 total cpu time spent up to now is 84.0 secs Computing kpt #: 282 total cpu time spent up to now is 84.3 secs Computing kpt #: 283 total cpu time spent up to now is 84.6 secs Computing kpt #: 284 total cpu time spent up to now is 84.9 secs Computing kpt #: 285 total cpu time spent up to now is 85.2 secs Computing kpt #: 286 total cpu time spent up to now is 85.5 secs Computing kpt #: 287 total cpu time spent up to now is 85.8 secs Computing kpt #: 288 total cpu time spent up to now is 86.1 secs Computing kpt #: 289 total cpu time spent up to now is 86.4 secs Computing kpt #: 290 total cpu time spent up to now is 86.7 secs Computing kpt #: 291 total cpu time spent up to now is 87.0 secs Computing kpt #: 292 total cpu time spent up to now is 87.3 secs Computing kpt #: 293 total cpu time spent up to now is 87.6 secs Computing kpt #: 294 total cpu time spent up to now is 87.9 secs Computing kpt #: 295 total cpu time spent up to now is 88.2 secs Computing kpt #: 296 total cpu time spent up to now is 88.6 secs Computing kpt #: 297 total cpu time spent up to now is 89.0 secs Computing kpt #: 298 total cpu time spent up to now is 89.4 secs Computing kpt #: 299 total cpu time spent up to now is 89.8 secs Computing kpt #: 300 total cpu time spent up to now is 90.2 secs Computing kpt #: 301 total cpu time spent up to now is 90.5 secs Computing kpt #: 302 total cpu time spent up to now is 90.9 secs Computing kpt #: 303 total cpu time spent up to now is 91.3 secs Computing kpt #: 304 total cpu time spent up to now is 91.7 secs Computing kpt #: 305 total cpu time spent up to now is 92.1 secs Computing kpt #: 306 total cpu time spent up to now is 92.5 secs Computing kpt #: 307 total cpu time spent up to now is 92.9 secs Computing kpt #: 308 total cpu time spent up to now is 93.2 secs Computing kpt #: 309 total cpu time spent up to now is 93.5 secs Computing kpt #: 310 total cpu time spent up to now is 93.7 secs Computing kpt #: 311 total cpu time spent up to now is 94.0 secs Computing kpt #: 312 total cpu time spent up to now is 94.3 secs Computing kpt #: 313 total cpu time spent up to now is 94.6 secs Computing kpt #: 314 total cpu time spent up to now is 94.8 secs Computing kpt #: 315 total cpu time spent up to now is 95.1 secs Computing kpt #: 316 total cpu time spent up to now is 95.4 secs Computing kpt #: 317 total cpu time spent up to now is 95.6 secs Computing kpt #: 318 total cpu time spent up to now is 95.9 secs Computing kpt #: 319 total cpu time spent up to now is 96.1 secs Computing kpt #: 320 total cpu time spent up to now is 96.4 secs Computing kpt #: 321 total cpu time spent up to now is 96.6 secs Computing kpt #: 322 total cpu time spent up to now is 96.9 secs Computing kpt #: 323 total cpu time spent up to now is 97.1 secs Computing kpt #: 324 total cpu time spent up to now is 97.4 secs Computing kpt #: 325 total cpu time spent up to now is 97.7 secs Computing kpt #: 326 total cpu time spent up to now is 98.0 secs Computing kpt #: 327 total cpu time spent up to now is 98.2 secs Computing kpt #: 328 total cpu time spent up to now is 98.5 secs Computing kpt #: 329 total cpu time spent up to now is 98.8 secs Computing kpt #: 330 total cpu time spent up to now is 99.1 secs Computing kpt #: 331 total cpu time spent up to now is 99.3 secs Computing kpt #: 332 total cpu time spent up to now is 99.6 secs Computing kpt #: 333 total cpu time spent up to now is 99.9 secs Computing kpt #: 334 total cpu time spent up to now is 100.2 secs Computing kpt #: 335 total cpu time spent up to now is 100.4 secs Computing kpt #: 336 total cpu time spent up to now is 100.7 secs Computing kpt #: 337 total cpu time spent up to now is 101.0 secs Computing kpt #: 338 total cpu time spent up to now is 101.3 secs Computing kpt #: 339 total cpu time spent up to now is 101.6 secs Computing kpt #: 340 total cpu time spent up to now is 101.8 secs Computing kpt #: 341 total cpu time spent up to now is 102.1 secs Computing kpt #: 342 total cpu time spent up to now is 102.4 secs Computing kpt #: 343 total cpu time spent up to now is 102.7 secs Computing kpt #: 344 total cpu time spent up to now is 103.0 secs Computing kpt #: 345 total cpu time spent up to now is 103.3 secs Computing kpt #: 346 total cpu time spent up to now is 103.6 secs Computing kpt #: 347 total cpu time spent up to now is 103.9 secs Computing kpt #: 348 total cpu time spent up to now is 104.1 secs Computing kpt #: 349 total cpu time spent up to now is 104.4 secs Computing kpt #: 350 total cpu time spent up to now is 104.7 secs Computing kpt #: 351 total cpu time spent up to now is 105.0 secs Computing kpt #: 352 total cpu time spent up to now is 105.3 secs Computing kpt #: 353 total cpu time spent up to now is 105.6 secs Computing kpt #: 354 total cpu time spent up to now is 105.9 secs Computing kpt #: 355 total cpu time spent up to now is 106.2 secs Computing kpt #: 356 total cpu time spent up to now is 106.5 secs Computing kpt #: 357 total cpu time spent up to now is 106.8 secs Computing kpt #: 358 total cpu time spent up to now is 107.4 secs Computing kpt #: 359 total cpu time spent up to now is 107.7 secs Computing kpt #: 360 total cpu time spent up to now is 108.0 secs Computing kpt #: 361 total cpu time spent up to now is 108.3 secs Computing kpt #: 362 total cpu time spent up to now is 108.6 secs Computing kpt #: 363 total cpu time spent up to now is 108.9 secs Computing kpt #: 364 total cpu time spent up to now is 109.2 secs Computing kpt #: 365 total cpu time spent up to now is 109.4 secs Computing kpt #: 366 total cpu time spent up to now is 109.7 secs Computing kpt #: 367 total cpu time spent up to now is 110.0 secs Computing kpt #: 368 total cpu time spent up to now is 110.2 secs Computing kpt #: 369 total cpu time spent up to now is 110.5 secs Computing kpt #: 370 total cpu time spent up to now is 110.7 secs Computing kpt #: 371 total cpu time spent up to now is 111.0 secs Computing kpt #: 372 total cpu time spent up to now is 111.2 secs Computing kpt #: 373 total cpu time spent up to now is 111.5 secs Computing kpt #: 374 total cpu time spent up to now is 111.8 secs Computing kpt #: 375 total cpu time spent up to now is 112.0 secs Computing kpt #: 376 total cpu time spent up to now is 112.3 secs Computing kpt #: 377 total cpu time spent up to now is 112.6 secs Computing kpt #: 378 total cpu time spent up to now is 112.8 secs Computing kpt #: 379 total cpu time spent up to now is 113.1 secs Computing kpt #: 380 total cpu time spent up to now is 113.3 secs Computing kpt #: 381 total cpu time spent up to now is 113.6 secs Computing kpt #: 382 total cpu time spent up to now is 113.9 secs Computing kpt #: 383 total cpu time spent up to now is 114.1 secs Computing kpt #: 384 total cpu time spent up to now is 114.4 secs Computing kpt #: 385 total cpu time spent up to now is 114.6 secs Computing kpt #: 386 total cpu time spent up to now is 114.9 secs Computing kpt #: 387 total cpu time spent up to now is 115.2 secs Computing kpt #: 388 total cpu time spent up to now is 115.4 secs Computing kpt #: 389 total cpu time spent up to now is 115.7 secs Computing kpt #: 390 total cpu time spent up to now is 116.0 secs Computing kpt #: 391 total cpu time spent up to now is 116.2 secs Computing kpt #: 392 total cpu time spent up to now is 116.5 secs Computing kpt #: 393 total cpu time spent up to now is 116.8 secs Computing kpt #: 394 total cpu time spent up to now is 117.0 secs Computing kpt #: 395 total cpu time spent up to now is 117.3 secs Computing kpt #: 396 total cpu time spent up to now is 117.6 secs Computing kpt #: 397 total cpu time spent up to now is 117.8 secs Computing kpt #: 398 total cpu time spent up to now is 118.1 secs Computing kpt #: 399 total cpu time spent up to now is 118.4 secs Computing kpt #: 400 total cpu time spent up to now is 118.6 secs Computing kpt #: 401 total cpu time spent up to now is 118.9 secs Computing kpt #: 402 total cpu time spent up to now is 119.2 secs Computing kpt #: 403 total cpu time spent up to now is 119.4 secs Computing kpt #: 404 total cpu time spent up to now is 119.7 secs Computing kpt #: 405 total cpu time spent up to now is 120.0 secs Computing kpt #: 406 total cpu time spent up to now is 120.2 secs ethr = 3.57E-08, avg # of iterations = 18.0 total cpu time spent up to now is 120.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1823 PWs) bands (ev): -51.3833 -51.3833 -24.4446 -24.4446 -16.1685 -16.1685 -15.6813 -15.6813 -6.7768 -6.7768 0.5590 0.5590 7.6189 7.6189 7.7400 7.7400 9.8075 9.8075 10.6556 10.6556 10.7335 10.7335 13.2584 13.2584 14.8569 14.8569 15.1999 15.1999 15.3663 15.3663 18.2734 18.2734 19.6582 19.6582 19.8282 19.8282 k = 0.0100 0.0058-0.0000 ( 1819 PWs) bands (ev): -51.3833 -51.3833 -24.4446 -24.4446 -16.1686 -16.1686 -15.6815 -15.6815 -6.7765 -6.7765 0.5599 0.5599 7.6196 7.6196 7.7407 7.7407 9.8071 9.8071 10.6547 10.6547 10.7329 10.7329 13.2563 13.2563 14.8618 14.8618 15.1991 15.1991 15.3655 15.3655 18.2768 18.2768 19.6620 19.6620 19.8320 19.8320 k = 0.0200 0.0115-0.0000 ( 1815 PWs) bands (ev): -51.3832 -51.3832 -24.4447 -24.4447 -16.1687 -16.1687 -15.6819 -15.6819 -6.7753 -6.7753 0.5625 0.5625 7.6218 7.6218 7.7427 7.7427 9.8059 9.8059 10.6517 10.6517 10.7315 10.7315 13.2500 13.2500 14.8764 14.8764 15.1969 15.1969 15.3630 15.3630 18.2868 18.2868 19.6734 19.6734 19.8435 19.8435 k = 0.0300 0.0173-0.0000 ( 1811 PWs) bands (ev): -51.3832 -51.3832 -24.4449 -24.4449 -16.1690 -16.1690 -15.6827 -15.6827 -6.7735 -6.7735 0.5669 0.5669 7.6254 7.6254 7.7462 7.7462 9.8039 9.8039 10.6447 10.6447 10.7313 10.7313 13.2396 13.2396 14.9005 14.9005 15.1932 15.1932 15.3594 15.3594 18.3034 18.3034 19.6920 19.6920 19.8628 19.8628 k = 0.0400 0.0231-0.0000 ( 1807 PWs) bands (ev): -51.3832 -51.3832 -24.4451 -24.4451 -16.1694 -16.1694 -15.6838 -15.6838 -6.7708 -6.7708 0.5729 0.5729 7.6304 7.6304 7.7511 7.7511 9.8012 9.8012 10.6324 10.6324 10.7339 10.7339 13.2249 13.2249 14.9339 14.9339 15.1875 15.1875 15.3551 15.3551 18.3265 18.3265 19.7173 19.7173 19.8899 19.8899 k = 0.0500 0.0289-0.0000 ( 1807 PWs) bands (ev): -51.3831 -51.3831 -24.4454 -24.4454 -16.1699 -16.1699 -15.6852 -15.6852 -6.7675 -6.7675 0.5807 0.5807 7.6365 7.6365 7.7577 7.7577 9.7977 9.7977 10.6138 10.6138 10.7406 10.7406 13.2060 13.2060 14.9759 14.9759 15.1797 15.1797 15.3512 15.3512 18.3561 18.3561 19.7486 19.7486 19.9247 19.9247 k = 0.0600 0.0346-0.0000 ( 1807 PWs) bands (ev): -51.3830 -51.3830 -24.4457 -24.4457 -16.1705 -16.1705 -15.6868 -15.6868 -6.7634 -6.7634 0.5902 0.5902 7.6438 7.6438 7.7660 7.7660 9.7934 9.7934 10.5895 10.5895 10.7512 10.7512 13.1828 13.1828 15.0261 15.0261 15.1692 15.1692 15.3487 15.3487 18.3919 18.3919 19.7851 19.7851 19.9671 19.9671 k = 0.0700 0.0404-0.0000 ( 1803 PWs) bands (ev): -51.3830 -51.3830 -24.4461 -24.4461 -16.1713 -16.1713 -15.6888 -15.6888 -6.7587 -6.7587 0.6012 0.6012 7.6520 7.6520 7.7762 7.7762 9.7884 9.7884 10.5604 10.5604 10.7653 10.7653 13.1554 13.1554 15.0835 15.0835 15.1557 15.1557 15.3487 15.3487 18.4337 18.4337 19.8261 19.8261 20.0169 20.0169 k = 0.0800 0.0462-0.0000 ( 1811 PWs) bands (ev): -51.3829 -51.3829 -24.4466 -24.4466 -16.1721 -16.1721 -15.6910 -15.6910 -6.7533 -6.7533 0.6139 0.6139 7.6610 7.6610 7.7884 7.7884 9.7827 9.7827 10.5273 10.5273 10.7826 10.7826 13.1239 13.1239 15.1331 15.1331 15.1533 15.1533 15.3524 15.3524 18.4814 18.4814 19.8712 19.8712 20.0733 20.0733 k = 0.0900 0.0520-0.0000 ( 1807 PWs) bands (ev): -51.3828 -51.3828 -24.4471 -24.4471 -16.1730 -16.1730 -15.6935 -15.6935 -6.7472 -6.7472 0.6281 0.6281 7.6708 7.6708 7.8027 7.8027 9.7762 9.7762 10.4910 10.4910 10.8027 10.8027 13.0884 13.0884 15.1157 15.1157 15.2200 15.2200 15.3609 15.3609 18.5346 18.5346 19.9198 19.9198 20.1357 20.1357 k = 0.1000 0.0577-0.0000 ( 1811 PWs) bands (ev): -51.3827 -51.3827 -24.4477 -24.4477 -16.1741 -16.1741 -15.6962 -15.6962 -6.7405 -6.7405 0.6438 0.6438 7.6811 7.6811 7.8193 7.8193 9.7692 9.7692 10.4522 10.4522 10.8255 10.8255 13.0489 13.0489 15.0914 15.0914 15.2936 15.2936 15.3758 15.3758 18.5929 18.5929 19.9715 19.9715 20.2029 20.2029 k = 0.1100 0.0635-0.0000 ( 1803 PWs) bands (ev): -51.3826 -51.3826 -24.4484 -24.4484 -16.1753 -16.1753 -15.6992 -15.6992 -6.7332 -6.7332 0.6609 0.6609 7.6920 7.6920 7.8381 7.8381 9.7614 9.7614 10.4115 10.4115 10.8509 10.8509 13.0058 13.0058 15.0639 15.0639 15.3612 15.3612 15.4065 15.4065 18.6559 18.6559 20.0260 20.0260 20.2735 20.2735 k = 0.1200 0.0693-0.0000 ( 1807 PWs) bands (ev): -51.3825 -51.3825 -24.4490 -24.4490 -16.1765 -16.1765 -15.7024 -15.7024 -6.7254 -6.7254 0.6793 0.6793 7.7035 7.7035 7.8591 7.8591 9.7530 9.7530 10.3696 10.3696 10.8786 10.8786 12.9593 12.9593 15.0335 15.0335 15.3998 15.3998 15.4750 15.4750 18.7229 18.7229 20.0829 20.0829 20.3458 20.3458 k = 0.1300 0.0751-0.0000 ( 1809 PWs) bands (ev): -51.3824 -51.3824 -24.4498 -24.4498 -16.1779 -16.1779 -15.7058 -15.7058 -6.7170 -6.7170 0.6991 0.6991 7.7155 7.7155 7.8823 7.8823 9.7440 9.7440 10.3269 10.3269 10.9086 10.9086 12.9096 12.9096 15.0008 15.0008 15.4297 15.4297 15.5600 15.5600 18.7931 18.7931 20.1415 20.1415 20.4166 20.4166 k = 0.1400 0.0808-0.0000 ( 1809 PWs) bands (ev): -51.3823 -51.3823 -24.4506 -24.4506 -16.1793 -16.1793 -15.7094 -15.7094 -6.7081 -6.7081 0.7200 0.7200 7.7281 7.7281 7.9076 7.9076 9.7344 9.7344 10.2840 10.2840 10.9409 10.9409 12.8571 12.8571 14.9662 14.9662 15.4624 15.4624 15.6493 15.6493 18.8655 18.8655 20.2006 20.2006 20.4752 20.4752 k = 0.1500 0.0866-0.0000 ( 1809 PWs) bands (ev): -51.3821 -51.3821 -24.4514 -24.4514 -16.1808 -16.1808 -15.7132 -15.7132 -6.6988 -6.6988 0.7421 0.7421 7.7413 7.7413 7.9349 7.9349 9.7242 9.7242 10.2413 10.2413 10.9753 10.9753 12.8022 12.8022 14.9300 14.9300 15.4992 15.4992 15.7403 15.7403 18.9386 18.9386 20.2566 20.2566 20.4744 20.4744 k = 0.1600 0.0924-0.0000 ( 1807 PWs) bands (ev): -51.3820 -51.3820 -24.4522 -24.4522 -16.1824 -16.1824 -15.7171 -15.7171 -6.6891 -6.6891 0.7652 0.7652 7.7553 7.7553 7.9640 7.9640 9.7134 9.7134 10.1994 10.1994 11.0117 11.0117 12.7453 12.7453 14.8926 14.8926 15.5404 15.5404 15.8316 15.8316 19.0104 19.0104 20.2927 20.2927 20.4317 20.4317 k = 0.1700 0.0981-0.0000 ( 1803 PWs) bands (ev): -51.3818 -51.3818 -24.4531 -24.4531 -16.1840 -16.1840 -15.7212 -15.7212 -6.6790 -6.6790 0.7892 0.7892 7.7699 7.7699 7.9950 7.9950 9.7021 9.7021 10.1586 10.1586 11.0500 11.0500 12.6866 12.6866 14.8542 14.8542 15.5862 15.5862 15.9220 15.9220 19.0779 19.0779 20.2662 20.2662 20.4440 20.4440 k = 0.1800 0.1039-0.0000 ( 1799 PWs) bands (ev): -51.3816 -51.3816 -24.4541 -24.4541 -16.1858 -16.1858 -15.7254 -15.7254 -6.6686 -6.6686 0.8141 0.8141 7.7853 7.7853 8.0275 8.0275 9.6902 9.6902 10.1193 10.1193 11.0902 11.0902 12.6267 12.6267 14.8151 14.8151 15.6363 15.6363 16.0101 16.0101 19.1369 19.1369 20.2045 20.2045 20.4976 20.4976 k = 0.1900 0.1097-0.0000 ( 1795 PWs) bands (ev): -51.3815 -51.3815 -24.4550 -24.4550 -16.1876 -16.1876 -15.7297 -15.7297 -6.6578 -6.6578 0.8398 0.8398 7.8015 7.8015 8.0615 8.0615 9.6778 9.6778 10.0818 10.0818 11.1322 11.1322 12.5658 12.5658 14.7756 14.7756 15.6907 15.6907 16.0947 16.0947 19.1817 19.1817 20.1456 20.1456 20.5608 20.5608 k = 0.2000 0.1155-0.0000 ( 1799 PWs) bands (ev): -51.3813 -51.3813 -24.4560 -24.4560 -16.1894 -16.1894 -15.7341 -15.7341 -6.6469 -6.6469 0.8661 0.8661 7.8183 7.8183 8.0968 8.0968 9.6649 9.6649 10.0466 10.0466 11.1758 11.1758 12.5043 12.5043 14.7357 14.7357 15.7493 15.7493 16.1744 16.1744 19.2059 19.2059 20.1021 20.1021 20.6257 20.6257 k = 0.2100 0.1212-0.0000 ( 1795 PWs) bands (ev): -51.3812 -51.3812 -24.4570 -24.4570 -16.1913 -16.1913 -15.7385 -15.7385 -6.6357 -6.6357 0.8929 0.8929 7.8359 7.8359 8.1333 8.1333 9.6516 9.6516 10.0138 10.0138 11.2209 11.2209 12.4425 12.4425 14.6959 14.6959 15.8119 15.8119 16.2477 16.2477 19.2038 19.2038 20.0793 20.0793 20.6870 20.6870 k = 0.2200 0.1270-0.0000 ( 1795 PWs) bands (ev): -51.3810 -51.3810 -24.4580 -24.4580 -16.1933 -16.1933 -15.7430 -15.7430 -6.6244 -6.6244 0.9202 0.9202 7.8541 7.8541 8.1709 8.1709 9.6378 9.6378 9.9837 9.9837 11.2674 11.2674 12.3809 12.3809 14.6561 14.6561 15.8783 15.8783 16.3131 16.3131 19.1741 19.1741 20.0763 20.0763 20.6894 20.6895 k = 0.2300 0.1328-0.0000 ( 1799 PWs) bands (ev): -51.3808 -51.3808 -24.4590 -24.4590 -16.1953 -16.1953 -15.7475 -15.7475 -6.6131 -6.6131 0.9478 0.9478 7.8728 7.8728 8.2094 8.2094 9.6238 9.6238 9.9565 9.9565 11.3152 11.3152 12.3196 12.3196 14.6167 14.6167 15.9483 15.9483 16.3692 16.3692 19.1201 19.1201 20.0868 20.0868 20.6330 20.6330 k = 0.2400 0.1386-0.0000 ( 1799 PWs) bands (ev): -51.3807 -51.3807 -24.4601 -24.4601 -16.1973 -16.1973 -15.7520 -15.7520 -6.6016 -6.6016 0.9756 0.9756 7.8921 7.8921 8.2486 8.2486 9.6097 9.6097 9.9324 9.9324 11.3641 11.3641 12.2590 12.2590 14.5777 14.5777 16.0218 16.0218 16.4145 16.4145 19.0478 19.0478 20.1026 20.1026 20.5720 20.5720 k = 0.2500 0.1443-0.0000 ( 1801 PWs) bands (ev): -51.3805 -51.3805 -24.4611 -24.4611 -16.1993 -16.1993 -15.7566 -15.7566 -6.5901 -6.5901 1.0036 1.0036 7.9117 7.9117 8.2884 8.2884 9.5955 9.5955 9.9114 9.9114 11.4140 11.4140 12.1993 12.1993 14.5392 14.5392 16.0982 16.0982 16.4481 16.4481 18.9627 18.9627 20.1179 20.1179 20.5089 20.5089 k = 0.2600 0.1501-0.0000 ( 1801 PWs) bands (ev): -51.3803 -51.3803 -24.4621 -24.4621 -16.2014 -16.2014 -15.7610 -15.7610 -6.5787 -6.5787 1.0315 1.0315 7.9315 7.9315 8.3287 8.3287 9.5815 9.5815 9.8936 9.8936 11.4647 11.4647 12.1408 12.1408 14.5015 14.5015 16.1772 16.1772 16.4694 16.4694 18.8692 18.8692 20.1309 20.1309 20.4448 20.4448 k = 0.2700 0.1559-0.0000 ( 1801 PWs) bands (ev): -51.3801 -51.3801 -24.4632 -24.4632 -16.2034 -16.2034 -15.7655 -15.7655 -6.5674 -6.5674 1.0593 1.0593 7.9514 7.9514 8.3692 8.3692 9.5677 9.5677 9.8791 9.8791 11.5160 11.5160 12.0838 12.0838 14.4646 14.4646 16.2574 16.2574 16.4788 16.4788 18.7701 18.7701 20.1425 20.1425 20.3813 20.3813 k = 0.2800 0.1617-0.0000 ( 1793 PWs) bands (ev): -51.3800 -51.3800 -24.4642 -24.4642 -16.2055 -16.2055 -15.7699 -15.7699 -6.5562 -6.5562 1.0869 1.0869 7.9714 7.9714 8.4097 8.4097 9.5545 9.5545 9.8677 9.8677 11.5676 11.5676 12.0284 12.0284 14.4286 14.4286 16.3344 16.3344 16.4808 16.4808 18.6677 18.6677 20.1517 20.1517 20.3232 20.3232 k = 0.2900 0.1674-0.0000 ( 1794 PWs) bands (ev): -51.3798 -51.3798 -24.4652 -24.4652 -16.2075 -16.2075 -15.7742 -15.7742 -6.5451 -6.5451 1.1142 1.1142 7.9911 7.9911 8.4502 8.4502 9.5419 9.5419 9.8596 9.8596 11.6194 11.6194 11.9749 11.9749 14.3936 14.3936 16.3862 16.3862 16.4972 16.4972 18.5632 18.5632 20.1473 20.1473 20.2843 20.2843 k = 0.3000 0.1732-0.0000 ( 1794 PWs) bands (ev): -51.3796 -51.3796 -24.4662 -24.4662 -16.2096 -16.2096 -15.7784 -15.7784 -6.5343 -6.5343 1.1410 1.1410 8.0104 8.0104 8.4904 8.4904 9.5299 9.5299 9.8547 9.8547 11.6708 11.6708 11.9238 11.9238 14.3598 14.3598 16.3807 16.3807 16.5608 16.5608 18.4580 18.4580 20.1115 20.1115 20.2837 20.2837 k = 0.3100 0.1790-0.0000 ( 1796 PWs) bands (ev): -51.3795 -51.3795 -24.4672 -24.4672 -16.2116 -16.2116 -15.7825 -15.7825 -6.5237 -6.5237 1.1673 1.1673 8.0293 8.0293 8.5302 8.5302 9.5188 9.5188 9.8529 9.8529 11.7205 11.7205 11.8761 11.8761 14.3272 14.3272 16.3431 16.3431 16.6477 16.6477 18.3530 18.3530 20.0535 20.0535 20.3118 20.3118 k = 0.3200 0.1848-0.0000 ( 1796 PWs) bands (ev): -51.3793 -51.3793 -24.4681 -24.4681 -16.2135 -16.2135 -15.7864 -15.7864 -6.5134 -6.5134 1.1929 1.1929 8.0475 8.0475 8.5693 8.5693 9.5084 9.5084 9.8542 9.8542 11.7626 11.7626 11.8380 11.8380 14.2958 14.2958 16.2905 16.2905 16.7420 16.7420 18.2488 18.2488 19.9875 19.9875 20.3515 20.3515 k = 0.3300 0.1905-0.0000 ( 1796 PWs) bands (ev): -51.3792 -51.3792 -24.4691 -24.4691 -16.2155 -16.2155 -15.7902 -15.7902 -6.5035 -6.5035 1.2177 1.2177 8.0650 8.0650 8.6076 8.6076 9.4989 9.4989 9.8586 9.8586 11.7615 11.7615 11.8448 11.8448 14.2658 14.2658 16.2278 16.2278 16.8402 16.8402 18.1464 18.1464 19.9191 19.9191 20.3903 20.3903 k = 0.3400 0.1963-0.0000 ( 1798 PWs) bands (ev): -51.3790 -51.3790 -24.4699 -24.4699 -16.2173 -16.2173 -15.7939 -15.7939 -6.4939 -6.4939 1.2417 1.2417 8.0816 8.0816 8.6449 8.6449 9.4901 9.4901 9.8659 9.8659 11.7257 11.7257 11.8877 11.8877 14.2372 14.2372 16.1577 16.1577 16.9411 16.9411 18.0464 18.0464 19.8500 19.8500 20.4115 20.4115 k = 0.3500 0.2021-0.0000 ( 1798 PWs) bands (ev): -51.3789 -51.3789 -24.4708 -24.4708 -16.2192 -16.2192 -15.7974 -15.7974 -6.4847 -6.4847 1.2648 1.2648 8.0973 8.0973 8.6810 8.6810 9.4821 9.4821 9.8760 9.8760 11.6868 11.6868 11.9351 11.9351 14.2101 14.2101 16.0823 16.0823 17.0443 17.0443 17.9494 17.9494 19.7814 19.7814 20.3987 20.3987 k = 0.3600 0.2078-0.0000 ( 1798 PWs) bands (ev): -51.3787 -51.3787 -24.4716 -24.4716 -16.2209 -16.2209 -15.8008 -15.8008 -6.4759 -6.4759 1.2868 1.2868 8.1119 8.1119 8.7157 8.7157 9.4747 9.4747 9.8887 9.8887 11.6491 11.6491 11.9824 11.9824 14.1845 14.1845 16.0033 16.0033 17.1493 17.1493 17.8561 17.8561 19.7140 19.7140 20.3579 20.3580 k = 0.3700 0.2136-0.0000 ( 1800 PWs) bands (ev): -51.3786 -51.3786 -24.4724 -24.4724 -16.2226 -16.2226 -15.8039 -15.8039 -6.4676 -6.4676 1.3076 1.3076 8.1254 8.1254 8.7488 8.7488 9.4680 9.4680 9.9036 9.9036 11.6135 11.6135 12.0285 12.0285 14.1604 14.1604 15.9224 15.9224 17.2557 17.2557 17.7669 17.7669 19.6483 19.6483 20.3048 20.3048 k = 0.3800 0.2194-0.0000 ( 1804 PWs) bands (ev): -51.3785 -51.3785 -24.4731 -24.4731 -16.2241 -16.2241 -15.8069 -15.8069 -6.4599 -6.4599 1.3273 1.3273 8.1379 8.1379 8.7802 8.7802 9.4619 9.4619 9.9205 9.9205 11.5803 11.5803 12.0730 12.0730 14.1380 14.1380 15.8412 15.8412 17.3631 17.3631 17.6826 17.6826 19.5848 19.5848 20.2479 20.2479 k = 0.3900 0.2252-0.0000 ( 1806 PWs) bands (ev): -51.3784 -51.3784 -24.4738 -24.4738 -16.2256 -16.2256 -15.8096 -15.8096 -6.4526 -6.4526 1.3457 1.3457 8.1492 8.1492 8.8097 8.8097 9.4564 9.4564 9.9389 9.9389 11.5496 11.5496 12.1154 12.1154 14.1172 14.1172 15.7609 15.7609 17.4707 17.4707 17.6040 17.6040 19.5241 19.5241 20.1906 20.1906 k = 0.4000 0.2309-0.0000 ( 1808 PWs) bands (ev): -51.3783 -51.3783 -24.4745 -24.4745 -16.2270 -16.2270 -15.8121 -15.8121 -6.4459 -6.4459 1.3627 1.3627 8.1594 8.1594 8.8371 8.8371 9.4514 9.4514 9.9583 9.9583 11.5214 11.5214 12.1554 12.1554 14.0982 14.0982 15.6830 15.6830 17.5253 17.5253 17.5842 17.5842 19.4667 19.4667 20.1335 20.1335 k = 0.4100 0.2367-0.0000 ( 1808 PWs) bands (ev): -51.3782 -51.3782 -24.4750 -24.4750 -16.2283 -16.2283 -15.8145 -15.8145 -6.4397 -6.4397 1.3783 1.3783 8.1685 8.1685 8.8623 8.8623 9.4470 9.4470 9.9782 9.9782 11.4959 11.4959 12.1927 12.1927 14.0808 14.0808 15.6085 15.6085 17.4598 17.4598 17.6902 17.6902 19.4130 19.4130 20.0747 20.0747 k = 0.4200 0.2425-0.0000 ( 1808 PWs) bands (ev): -51.3781 -51.3781 -24.4756 -24.4756 -16.2294 -16.2294 -15.8165 -15.8165 -6.4342 -6.4342 1.3925 1.3925 8.1765 8.1765 8.8852 8.8852 9.4432 9.4432 9.9981 9.9981 11.4731 11.4731 12.2270 12.2270 14.0652 14.0652 15.5387 15.5387 17.3984 17.3984 17.7974 17.7974 19.3637 19.3637 20.0096 20.0096 k = 0.4300 0.2483-0.0000 ( 1808 PWs) bands (ev): -51.3780 -51.3780 -24.4760 -24.4760 -16.2305 -16.2305 -15.8184 -15.8184 -6.4292 -6.4292 1.4051 1.4051 8.1835 8.1835 8.9057 8.9057 9.4398 9.4398 10.0174 10.0174 11.4529 11.4529 12.2580 12.2580 14.0514 14.0514 15.4744 15.4744 17.3434 17.3434 17.9029 17.9029 19.3190 19.3190 19.9331 19.9331 k = 0.4400 0.2540-0.0000 ( 1808 PWs) bands (ev): -51.3780 -51.3780 -24.4765 -24.4765 -16.2314 -16.2314 -15.8200 -15.8200 -6.4249 -6.4249 1.4161 1.4161 8.1895 8.1895 8.9236 8.9236 9.4369 9.4369 10.0356 10.0356 11.4354 11.4354 12.2854 12.2854 14.0394 14.0394 15.4168 15.4168 17.2951 17.2951 18.0054 18.0054 19.2796 19.2796 19.8474 19.8474 k = 0.4500 0.2598-0.0000 ( 1810 PWs) bands (ev): -51.3779 -51.3779 -24.4768 -24.4768 -16.2321 -16.2321 -15.8214 -15.8214 -6.4212 -6.4212 1.4255 1.4255 8.1945 8.1945 8.9388 8.9388 9.4346 9.4346 10.0520 10.0520 11.4206 11.4206 12.3091 12.3091 14.0292 14.0292 15.3664 15.3664 17.2538 17.2538 18.1028 18.1028 19.2458 19.2458 19.7594 19.7594 k = 0.4600 0.2656-0.0000 ( 1810 PWs) bands (ev): -51.3779 -51.3779 -24.4771 -24.4771 -16.2328 -16.2328 -15.8225 -15.8225 -6.4182 -6.4182 1.4332 1.4332 8.1986 8.1986 8.9514 8.9514 9.4327 9.4327 10.0662 10.0662 11.4085 11.4085 12.3288 12.3288 14.0208 14.0208 15.3242 15.3242 17.2198 17.2198 18.1927 18.1927 19.2180 19.2180 19.6748 19.6748 k = 0.4700 0.2714-0.0000 ( 1806 PWs) bands (ev): -51.3778 -51.3778 -24.4773 -24.4773 -16.2333 -16.2333 -15.8234 -15.8234 -6.4158 -6.4158 1.4393 1.4393 8.2017 8.2017 8.9612 8.9612 9.4312 9.4312 10.0778 10.0778 11.3991 11.3991 12.3443 12.3443 14.0143 14.0143 15.2907 15.2907 17.1932 17.1932 18.2714 18.2714 19.1965 19.1965 19.5989 19.5989 k = 0.4800 0.2771-0.0000 ( 1802 PWs) bands (ev): -51.3778 -51.3778 -24.4775 -24.4775 -16.2336 -16.2336 -15.8240 -15.8240 -6.4141 -6.4141 1.4436 1.4436 8.2039 8.2039 8.9682 8.9682 9.4302 9.4302 10.0863 10.0863 11.3924 11.3924 12.3555 12.3555 14.0097 14.0097 15.2664 15.2664 17.1741 17.1741 18.3342 18.3342 19.1815 19.1815 19.5372 19.5372 k = 0.4900 0.2829-0.0000 ( 1802 PWs) bands (ev): -51.3778 -51.3778 -24.4776 -24.4776 -16.2339 -16.2339 -15.8244 -15.8244 -6.4131 -6.4131 1.4462 1.4462 8.2052 8.2052 8.9724 8.9724 9.4296 9.4296 10.0915 10.0915 11.3884 11.3884 12.3622 12.3622 14.0069 14.0069 15.2517 15.2517 17.1626 17.1626 18.3753 18.3753 19.1728 19.1728 19.4963 19.4963 k = 0.5000 0.2887-0.0000 ( 1802 PWs) bands (ev): -51.3778 -51.3778 -24.4776 -24.4776 -16.2339 -16.2339 -15.8245 -15.8245 -6.4128 -6.4128 1.4471 1.4471 8.2057 8.2057 8.9738 8.9738 9.4294 9.4294 10.0933 10.0933 11.3870 11.3870 12.3645 12.3645 14.0059 14.0059 15.2468 15.2468 17.1587 17.1587 18.3897 18.3897 19.1699 19.1699 19.4819 19.4819 k = 0.5000 0.2887-0.0000 ( 1802 PWs) bands (ev): -51.3778 -51.3778 -24.4776 -24.4776 -16.2339 -16.2339 -15.8245 -15.8245 -6.4128 -6.4128 1.4471 1.4471 8.2057 8.2057 8.9738 8.9738 9.4294 9.4294 10.0933 10.0933 11.3870 11.3870 12.3645 12.3645 14.0059 14.0059 15.2468 15.2468 17.1587 17.1587 18.3897 18.3897 19.1699 19.1699 19.4819 19.4819 k = 0.4943 0.2986-0.0000 ( 1802 PWs) bands (ev): -51.3778 -51.3777 -24.4778 -24.4774 -16.2344 -16.2334 -15.8262 -15.8230 -6.4139 -6.4114 1.4397 1.4552 8.1999 8.2112 8.9740 8.9756 9.4270 9.4325 10.0937 10.0949 11.3814 11.3856 12.3532 12.3752 14.0079 14.0153 15.2342 15.2540 17.1501 17.1577 18.3869 18.3871 19.1631 19.1870 19.4785 19.4803 k = 0.4885 0.3086-0.0000 ( 1806 PWs) bands (ev): -51.3778 -51.3777 -24.4781 -24.4773 -16.2349 -16.2329 -15.8281 -15.8216 -6.4148 -6.4097 1.4330 1.4639 8.1940 8.2165 8.9763 8.9794 9.4254 9.4364 10.0962 10.0987 11.3690 11.3773 12.3415 12.3853 14.0212 14.0359 15.2165 15.2558 17.1321 17.1470 18.3787 18.3795 19.1661 19.2140 19.4703 19.4740 k = 0.4828 0.3185-0.0000 ( 1802 PWs) bands (ev): -51.3777 -51.3777 -24.4783 -24.4771 -16.2353 -16.2324 -15.8300 -15.8204 -6.4154 -6.4079 1.4271 1.4733 8.1880 8.2215 8.9805 8.9849 9.4247 9.4411 10.1008 10.1046 11.3501 11.3623 12.3292 12.3948 14.0454 14.0673 15.1938 15.2524 17.1056 17.1271 18.3651 18.3668 19.1780 19.2499 19.4577 19.4633 k = 0.4770 0.3285-0.0000 ( 1806 PWs) bands (ev): -51.3777 -51.3777 -24.4786 -24.4770 -16.2357 -16.2319 -15.8321 -15.8194 -6.4158 -6.4058 1.4219 1.4832 8.1820 8.2261 8.9867 8.9923 9.4247 9.4465 10.1075 10.1127 11.3254 11.3411 12.3164 12.4036 14.0801 14.1090 15.1664 15.2439 17.0716 17.0989 18.3461 18.3492 19.1969 19.2926 19.4418 19.4492 k = 0.4713 0.3384-0.0000 ( 1806 PWs) bands (ev): -51.3777 -51.3777 -24.4789 -24.4769 -16.2361 -16.2313 -15.8344 -15.8185 -6.4160 -6.4035 1.4174 1.4937 8.1760 8.2305 8.9949 9.0012 9.4255 9.4525 10.1164 10.1229 11.2953 11.3143 12.3028 12.4113 14.1247 14.1603 15.1346 15.2306 17.0311 17.0633 18.3219 18.3270 19.2201 19.3361 19.4275 19.4336 k = 0.4655 0.3484-0.0000 ( 1806 PWs) bands (ev): -51.3777 -51.3777 -24.4792 -24.4768 -16.2365 -16.2308 -15.8367 -15.8178 -6.4159 -6.4010 1.4136 1.5048 8.1701 8.2345 9.0050 9.0117 9.4271 9.4592 10.1275 10.1355 11.2608 11.2825 12.2884 12.4179 14.1784 14.2205 15.0990 15.2127 16.9854 17.0217 18.2928 18.3002 19.2422 19.3558 19.4204 19.4378 k = 0.4598 0.3584-0.0000 ( 1810 PWs) bands (ev): -51.3777 -51.3777 -24.4795 -24.4767 -16.2369 -16.2302 -15.8392 -15.8173 -6.4157 -6.3984 1.4105 1.5162 8.1643 8.2382 9.0169 9.0235 9.4295 9.4666 10.1408 10.1504 11.2224 11.2465 12.2730 12.4230 14.2403 14.2888 15.0601 15.1908 16.9355 16.9751 18.2592 18.2689 19.2545 19.3377 19.4173 19.4851 k = 0.4540 0.3683-0.0000 ( 1810 PWs) bands (ev): -51.3777 -51.3776 -24.4798 -24.4767 -16.2372 -16.2296 -15.8417 -15.8168 -6.4151 -6.3956 1.4081 1.5280 8.1588 8.2416 9.0303 9.0365 9.4326 9.4744 10.1564 10.1676 11.1811 11.2070 12.2564 12.4264 14.3096 14.3642 15.0186 15.1653 16.8825 16.9248 18.2216 18.2336 19.2482 19.3058 19.4319 19.5433 k = 0.4483 0.3783-0.0000 ( 1806 PWs) bands (ev): -51.3777 -51.3776 -24.4801 -24.4767 -16.2376 -16.2291 -15.8443 -15.8166 -6.4144 -6.3926 1.4064 1.5402 8.1534 8.2447 9.0452 9.0507 9.4364 9.4828 10.1745 10.1874 11.1374 11.1649 12.2384 12.4277 14.3855 14.4461 14.9750 15.1368 16.8272 16.8717 18.1803 18.1945 19.2244 19.2681 19.4617 19.6012 k = 0.4425 0.3882-0.0000 ( 1806 PWs) bands (ev): -51.3776 -51.3776 -24.4805 -24.4767 -16.2379 -16.2285 -15.8470 -15.8164 -6.4135 -6.3895 1.4053 1.5525 8.1484 8.2476 9.0614 9.0657 9.4409 9.4917 10.1949 10.2098 11.0921 11.1207 12.2188 12.4265 14.4670 14.5336 14.9300 15.1059 16.7703 16.8167 18.1361 18.1520 19.1892 19.2263 19.4990 19.6524 k = 0.4368 0.3982-0.0000 ( 1806 PWs) bands (ev): -51.3776 -51.3775 -24.4808 -24.4767 -16.2382 -16.2279 -15.8497 -15.8164 -6.4125 -6.3863 1.4048 1.5650 8.1436 8.2503 9.0786 9.0815 9.4460 9.5009 10.2179 10.2347 11.0457 11.0752 12.1973 12.4226 14.5534 14.6259 14.8846 15.0734 16.7126 16.7605 18.0893 18.1066 19.1471 19.1811 19.5377 19.6897 k = 0.4310 0.4081-0.0000 ( 1802 PWs) bands (ev): -51.3776 -51.3775 -24.4812 -24.4767 -16.2385 -16.2274 -15.8524 -15.8165 -6.4112 -6.3831 1.4049 1.5776 8.1392 8.2529 9.0967 9.0979 9.4517 9.5105 10.2434 10.2624 10.9990 11.0290 12.1738 12.4155 14.6437 14.7222 14.8394 15.0399 16.6545 16.7039 18.0407 18.0588 19.1000 19.1330 19.5717 19.7024 k = 0.4253 0.4181-0.0000 ( 1798 PWs) bands (ev): -51.3775 -51.3774 -24.4815 -24.4768 -16.2388 -16.2269 -15.8551 -15.8167 -6.4099 -6.3798 1.4054 1.5902 8.1351 8.2553 9.1147 9.1154 9.4579 9.5204 10.2715 10.2927 10.9523 10.9825 12.1479 12.4050 14.7363 14.7961 14.8214 15.0064 16.5967 16.6473 17.9908 18.0090 19.0493 19.0822 19.5928 19.7012 k = 0.4195 0.4280-0.0000 ( 1798 PWs) bands (ev): -51.3775 -51.3774 -24.4819 -24.4768 -16.2390 -16.2263 -15.8578 -15.8170 -6.4084 -6.3765 1.4064 1.6027 8.1314 8.2576 9.1318 9.1345 9.4645 9.5305 10.3022 10.3258 10.9063 10.9363 12.1196 12.3906 14.7501 14.8354 14.9188 14.9776 16.5394 16.5912 17.9404 17.9579 18.9955 19.0289 19.5947 19.7071 k = 0.4138 0.4380-0.0000 ( 1798 PWs) bands (ev): -51.3775 -51.3774 -24.4822 -24.4769 -16.2393 -16.2259 -15.8605 -15.8174 -6.4068 -6.3732 1.4078 1.6150 8.1280 8.2598 9.1489 9.1537 9.4714 9.5407 10.3353 10.3616 10.8614 10.8908 12.0886 12.3722 14.7101 14.9325 14.9330 15.0347 16.4832 16.5360 17.8901 17.9062 18.9391 18.9735 19.5840 19.6965 k = 0.4080 0.4479-0.0000 ( 1804 PWs) bands (ev): -51.3774 -51.3773 -24.4825 -24.4770 -16.2396 -16.2254 -15.8630 -15.8178 -6.4052 -6.3699 1.4096 1.6270 8.1249 8.2620 9.1660 9.1729 9.4786 9.5510 10.3709 10.3999 10.8181 10.8465 12.0548 12.3497 14.6723 14.9032 15.0308 15.1382 16.4283 16.4821 17.8408 17.8546 18.8805 18.9161 19.5684 19.6833 k = 0.4023 0.4579-0.0000 ( 1804 PWs) bands (ev): -51.3774 -51.3773 -24.4829 -24.4771 -16.2398 -16.2250 -15.8655 -15.8183 -6.4036 -6.3667 1.4116 1.6387 8.1222 8.2641 9.1828 9.1917 9.4860 9.5612 10.4085 10.4408 10.7769 10.8037 12.0183 12.3230 14.6376 14.8736 15.1291 15.2437 16.3752 16.4298 17.7932 17.8038 18.8201 18.8569 19.5514 19.6690 k = 0.3966 0.4679-0.0000 ( 1804 PWs) bands (ev): -51.3774 -51.3773 -24.4832 -24.4772 -16.2401 -16.2246 -15.8679 -15.8188 -6.4019 -6.3636 1.4138 1.6499 8.1199 8.2662 9.1992 9.2099 9.4934 9.5713 10.4478 10.4839 10.7387 10.7628 11.9789 12.2922 14.6063 14.8459 15.2262 15.3488 16.3241 16.3795 17.7483 17.7548 18.7581 18.7963 19.5343 19.6544 k = 0.3908 0.4778-0.0000 ( 1804 PWs) bands (ev): -51.3773 -51.3772 -24.4835 -24.4773 -16.2403 -16.2242 -15.8702 -15.8194 -6.4002 -6.3606 1.4162 1.6605 8.1178 8.2682 9.2150 9.2274 9.5008 9.5812 10.4873 10.5290 10.7048 10.7241 11.9369 12.2575 14.5788 14.8206 15.3210 15.4522 16.2755 16.3314 17.7072 17.7085 18.6949 18.7344 19.5179 19.6398 k = 0.3851 0.4878-0.0000 ( 1804 PWs) bands (ev): -51.3773 -51.3772 -24.4838 -24.4774 -16.2405 -16.2239 -15.8723 -15.8199 -6.3986 -6.3578 1.4187 1.6706 8.1160 8.2701 9.2301 9.2440 9.5079 9.5907 10.5242 10.5757 10.6784 10.6880 11.8925 12.2196 14.5550 14.7979 15.4121 15.5527 16.2296 16.2860 17.6661 17.6708 18.6307 18.6717 19.5024 19.6258 k = 0.3793 0.4977-0.0000 ( 1804 PWs) bands (ev): -51.3773 -51.3772 -24.4841 -24.4775 -16.2407 -16.2236 -15.8743 -15.8205 -6.3970 -6.3552 1.4212 1.6798 8.1145 8.2720 9.2442 9.2594 9.5147 9.5996 10.5499 10.6229 10.6551 10.6676 11.8461 12.1790 14.5350 14.7780 15.4983 15.6486 16.1868 16.2437 17.6288 17.6403 18.5660 18.6083 19.4880 19.6125 k = 0.3736 0.5077-0.0000 ( 1806 PWs) bands (ev): -51.3773 -51.3771 -24.4843 -24.4776 -16.2409 -16.2234 -15.8761 -15.8210 -6.3955 -6.3528 1.4237 1.6883 8.1133 8.2738 9.2573 9.2734 9.5211 9.6080 10.5534 10.6238 10.6720 10.6833 11.7983 12.1366 14.5185 14.7610 15.5779 15.7384 16.1474 16.2046 17.5980 17.6169 18.5013 18.5449 19.4749 19.6002 k = 0.3678 0.5176-0.0000 ( 1806 PWs) bands (ev): -51.3772 -51.3771 -24.4845 -24.4777 -16.2411 -16.2232 -15.8776 -15.8215 -6.3942 -6.3506 1.4261 1.6959 8.1123 8.2755 9.2691 9.2860 9.5269 9.6156 10.5410 10.5973 10.7188 10.7190 11.7500 12.0938 14.5052 14.7468 15.6495 15.8201 16.1120 16.1694 17.5750 17.6016 18.4372 18.4822 19.4632 19.5890 k = 0.3621 0.5276-0.0000 ( 1808 PWs) bands (ev): -51.3772 -51.3771 -24.4847 -24.4778 -16.2413 -16.2230 -15.8790 -15.8219 -6.3929 -6.3487 1.4282 1.7024 8.1116 8.2770 9.2794 9.2970 9.5320 9.6222 10.5244 10.5742 10.7613 10.7642 11.7022 12.0519 14.4949 14.7352 15.7116 15.8917 16.0808 16.1385 17.5610 17.5951 18.3747 18.4209 19.4530 19.5792 k = 0.3563 0.5375-0.0000 ( 1812 PWs) bands (ev): -51.3772 -51.3771 -24.4849 -24.4779 -16.2414 -16.2229 -15.8802 -15.8223 -6.3919 -6.3471 1.4301 1.7080 8.1110 8.2783 9.2883 9.3061 9.5363 9.6278 10.5086 10.5550 10.8044 10.8058 11.6567 12.0127 14.4872 14.7262 15.7629 15.9515 16.0544 16.1123 17.5565 17.5972 18.3151 18.3626 19.4444 19.5708 k = 0.3506 0.5475-0.0000 ( 1812 PWs) bands (ev): -51.3772 -51.3771 -24.4850 -24.4779 -16.2415 -16.2228 -15.8811 -15.8227 -6.3910 -6.3458 1.4317 1.7124 8.1106 8.2794 9.2953 9.3135 9.5397 9.6323 10.4955 10.5398 10.8418 10.8443 11.6157 11.9785 14.4817 14.7195 15.8026 15.9978 16.0331 16.0914 17.5608 17.6068 18.2605 18.3093 19.4375 19.5641 k = 0.3448 0.5574-0.0000 ( 1816 PWs) bands (ev): -51.3772 -51.3771 -24.4851 -24.4780 -16.2416 -16.2227 -15.8817 -15.8229 -6.3904 -6.3448 1.4330 1.7156 8.1104 8.2802 9.3006 9.3188 9.5421 9.6355 10.4858 10.5289 10.8701 10.8774 11.5822 11.9515 14.4780 14.7148 15.8304 16.0174 16.0294 16.0769 17.5716 17.6211 18.2144 18.2645 19.4325 19.5592 k = 0.3391 0.5674-0.0000 ( 1820 PWs) bands (ev): -51.3772 -51.3771 -24.4852 -24.4780 -16.2417 -16.2227 -15.8821 -15.8231 -6.3900 -6.3442 1.4337 1.7176 8.1102 8.2807 9.3038 9.3220 9.5436 9.6374 10.4798 10.5223 10.8883 10.8996 11.5598 11.9341 14.4759 14.7121 15.8464 16.0076 16.0451 16.0703 17.5836 17.6348 18.1819 18.2329 19.4293 19.5561 k = 0.3333 0.5774-0.0000 ( 1830 PWs) bands (ev): -51.3772 -51.3771 -24.4852 -24.4780 -16.2417 -16.2227 -15.8823 -15.8231 -6.3898 -6.3440 1.4340 1.7182 8.1102 8.2809 9.3049 9.3231 9.5440 9.6381 10.4778 10.5201 10.8947 10.9076 11.5519 11.9280 14.4752 14.7112 15.8515 16.0043 16.0483 16.0698 17.5894 17.6410 18.1696 18.2210 19.4283 19.5551 k = 0.3333 0.5774-0.0000 ( 1830 PWs) bands (ev): -51.3772 -51.3771 -24.4852 -24.4780 -16.2417 -16.2227 -15.8823 -15.8231 -6.3898 -6.3440 1.4340 1.7182 8.1102 8.2809 9.3049 9.3231 9.5440 9.6381 10.4778 10.5201 10.8947 10.9076 11.5519 11.9280 14.4752 14.7112 15.8515 16.0043 16.0483 16.0698 17.5894 17.6410 18.1696 18.2210 19.4283 19.5551 k = 0.3276 0.5674-0.0000 ( 1818 PWs) bands (ev): -51.3772 -51.3770 -24.4852 -24.4780 -16.2417 -16.2227 -15.8821 -15.8231 -6.3900 -6.3442 1.4337 1.7176 8.1102 8.2807 9.3037 9.3220 9.5436 9.6375 10.4798 10.5223 10.8882 10.8995 11.5599 11.9342 14.4759 14.7121 15.8468 16.0077 16.0456 16.0705 17.5816 17.6331 18.1834 18.2343 19.4294 19.5561 k = 0.3218 0.5574-0.0000 ( 1814 PWs) bands (ev): -51.3772 -51.3770 -24.4851 -24.4780 -16.2416 -16.2227 -15.8817 -15.8229 -6.3904 -6.3449 1.4328 1.7155 8.1103 8.2801 9.3003 9.3186 9.5423 9.6356 10.4857 10.5288 10.8691 10.8760 11.5830 11.9521 14.4781 14.7149 15.8337 16.0182 16.0336 16.0780 17.5567 17.6082 18.2250 18.2741 19.4327 19.5594 k = 0.3161 0.5475-0.0000 ( 1814 PWs) bands (ev): -51.3772 -51.3771 -24.4850 -24.4779 -16.2415 -16.2227 -15.8810 -15.8226 -6.3912 -6.3459 1.4312 1.7120 8.1104 8.2790 9.2944 9.3129 9.5403 9.6328 10.4953 10.5395 10.8385 10.8402 11.6180 11.9802 14.4821 14.7197 15.8136 16.0118 16.0359 16.0947 17.5164 17.5683 18.2911 18.3373 19.4384 19.5650 k = 0.3103 0.5375-0.0000 ( 1810 PWs) bands (ev): -51.3772 -51.3771 -24.4848 -24.4778 -16.2413 -16.2227 -15.8801 -15.8222 -6.3923 -6.3475 1.4289 1.7070 8.1104 8.2775 9.2861 9.3049 9.5376 9.6290 10.5081 10.5542 10.7957 10.7984 11.6611 12.0162 14.4883 14.7269 15.7879 15.9831 16.0609 16.1197 17.4647 17.5171 18.3759 18.4188 19.4465 19.5729 k = 0.3046 0.5276-0.0000 ( 1810 PWs) bands (ev): -51.3772 -51.3771 -24.4846 -24.4777 -16.2411 -16.2227 -15.8788 -15.8216 -6.3938 -6.3495 1.4258 1.7006 8.1104 8.2754 9.2753 9.2946 9.5345 9.6244 10.5234 10.5727 10.7461 10.7509 11.7089 12.0573 14.4975 14.7370 15.7576 15.9494 16.0933 16.1527 17.4051 17.4582 18.4743 18.5137 19.4571 19.5831 k = 0.2989 0.5176-0.0000 ( 1804 PWs) bands (ev): -51.3772 -51.3771 -24.4844 -24.4775 -16.2407 -16.2227 -15.8773 -15.8209 -6.3957 -6.3520 1.4219 1.6926 8.1103 8.2727 9.2621 9.2819 9.5310 9.6193 10.5385 10.5944 10.6962 10.6985 11.7586 12.1009 14.5104 14.7505 15.7239 15.9121 16.1332 16.1934 17.3404 17.3943 18.5824 18.6184 19.4701 19.5957 k = 0.2931 0.5077-0.0000 ( 1804 PWs) bands (ev): -51.3773 -51.3772 -24.4841 -24.4773 -16.2404 -16.2226 -15.8756 -15.8201 -6.3980 -6.3549 1.4171 1.6832 8.1100 8.2695 9.2464 9.2668 9.5273 9.6137 10.5453 10.6144 10.6475 10.6559 11.8079 12.1447 14.5281 14.7683 15.6876 15.8722 16.1804 16.2417 17.2723 17.3270 18.6971 18.7302 19.4854 19.6106 k = 0.2874 0.4977-0.0000 ( 1804 PWs) bands (ev): -51.3773 -51.3772 -24.4838 -24.4771 -16.2399 -16.2225 -15.8735 -15.8191 -6.4006 -6.3584 1.4115 1.6723 8.1096 8.2656 9.2282 9.2493 9.5235 9.6079 10.5244 10.5771 10.6454 10.6547 11.8550 12.1862 14.5515 14.7910 15.6495 15.8305 16.2348 16.2975 17.2021 17.2577 18.8165 18.8470 19.5031 19.6277 k = 0.2816 0.4878-0.0000 ( 1800 PWs) bands (ev): -51.3774 -51.3773 -24.4834 -24.4769 -16.2393 -16.2224 -15.8712 -15.8179 -6.4037 -6.3624 1.4049 1.6598 8.1089 8.2611 9.2077 9.2296 9.5196 9.6020 10.4784 10.5178 10.6631 10.6859 11.8983 12.2237 14.5817 14.8195 15.6103 15.7878 16.2963 16.3605 17.1306 17.1869 18.9387 18.9674 19.5229 19.6469 k = 0.2759 0.4778-0.0000 ( 1800 PWs) bands (ev): -51.3774 -51.3773 -24.4829 -24.4766 -16.2387 -16.2222 -15.8687 -15.8167 -6.4072 -6.3669 1.3973 1.6459 8.1080 8.2559 9.1849 9.2074 9.5159 9.5962 10.4242 10.4572 10.6927 10.7212 11.9367 12.2556 14.6195 14.8543 15.5704 15.7446 16.3646 16.4305 17.0583 17.1155 19.0624 19.0901 19.5447 19.6680 k = 0.2701 0.4679-0.0000 ( 1800 PWs) bands (ev): -51.3775 -51.3774 -24.4824 -24.4762 -16.2380 -16.2219 -15.8659 -15.8152 -6.4112 -6.3719 1.3888 1.6305 8.1067 8.2500 9.1599 9.1831 9.5123 9.5907 10.3683 10.3969 10.7280 10.7596 11.9691 12.2806 14.6656 14.8961 15.5303 15.7013 16.4394 16.5073 16.9856 17.0437 19.1863 19.2141 19.5683 19.6910 k = 0.2644 0.4579-0.0000 ( 1800 PWs) bands (ev): -51.3776 -51.3775 -24.4819 -24.4759 -16.2372 -16.2216 -15.8629 -15.8136 -6.4156 -6.3774 1.3793 1.6137 8.1050 8.2433 9.1328 9.1564 9.5090 9.5854 10.3129 10.3376 10.7674 10.8008 11.9950 12.2978 14.7205 14.9453 15.4905 15.6583 16.5206 16.5905 16.9130 16.9719 19.3091 19.3385 19.5937 19.7155 k = 0.2586 0.4479-0.0000 ( 1790 PWs) bands (ev): -51.3776 -51.3775 -24.4813 -24.4755 -16.2362 -16.2211 -15.8596 -15.8119 -6.4204 -6.3834 1.3688 1.5955 8.1028 8.2359 9.1036 9.1277 9.5060 9.5806 10.2590 10.2801 10.8100 10.8447 12.0137 12.3067 14.7843 15.0021 15.4512 15.6159 16.6076 16.6799 16.8405 16.9005 19.4289 19.4622 19.6212 19.7416 k = 0.2529 0.4380-0.0000 ( 1790 PWs) bands (ev): -51.3777 -51.3776 -24.4806 -24.4750 -16.2352 -16.2206 -15.8562 -15.8100 -6.4257 -6.3899 1.3572 1.5759 8.1001 8.2276 9.0725 9.0968 9.5033 9.5763 10.2073 10.2248 10.8555 10.8911 12.0251 12.3073 14.8566 15.0664 15.4128 15.5744 16.6995 16.7683 16.7754 16.8305 19.5417 19.5838 19.6535 19.7695 k = 0.2471 0.4280-0.0000 ( 1798 PWs) bands (ev): -51.3778 -51.3777 -24.4799 -24.4745 -16.2341 -16.2201 -15.8525 -15.8080 -6.4314 -6.3970 1.3446 1.5550 8.0967 8.2184 9.0396 9.0640 9.5011 9.5725 10.1583 10.1721 10.9035 10.9399 12.0293 12.2997 14.9367 15.1378 15.3758 15.5340 16.6972 16.7518 16.8063 16.8759 19.6304 19.6995 19.7060 19.8020 k = 0.2414 0.4181-0.0000 ( 1798 PWs) bands (ev): -51.3779 -51.3779 -24.4792 -24.4740 -16.2329 -16.2194 -15.8487 -15.8058 -6.4375 -6.4044 1.3310 1.5328 8.0926 8.2084 9.0050 9.0293 9.4995 9.5693 10.1122 10.1225 10.9540 10.9909 12.0263 12.2844 15.0233 15.2158 15.3409 15.4950 16.6266 16.6865 16.9056 16.9818 19.6761 19.7880 19.7959 19.8592 k = 0.2356 0.4081-0.0000 ( 1792 PWs) bands (ev): -51.3780 -51.3780 -24.4784 -24.4734 -16.2316 -16.2186 -15.8446 -15.8035 -6.4441 -6.4124 1.3164 1.5094 8.0877 8.1974 8.9689 8.9930 9.4984 9.5667 10.0694 10.0762 11.0069 11.0442 12.0165 12.2619 15.1132 15.2990 15.3106 15.4584 16.5570 16.6181 17.0138 17.0926 19.7058 19.8290 19.8948 19.9599 k = 0.2299 0.3982-0.0000 ( 1796 PWs) bands (ev): -51.3782 -51.3781 -24.4776 -24.4728 -16.2302 -16.2178 -15.8404 -15.8010 -6.4511 -6.4208 1.3008 1.4849 8.0819 8.1855 8.9314 8.9550 9.4979 9.5646 10.0302 10.0337 11.0619 11.0995 12.0005 12.2330 15.1917 15.2984 15.3780 15.4326 16.4885 16.5504 17.1269 17.2078 19.7309 19.8554 19.9899 20.0694 k = 0.2241 0.3882-0.0000 ( 1792 PWs) bands (ev): -51.3783 -51.3782 -24.4767 -24.4722 -16.2287 -16.2169 -15.8360 -15.7984 -6.4585 -6.4296 1.2843 1.4592 8.0752 8.1726 8.8926 8.9157 9.4981 9.5631 9.9947 9.9951 11.1189 11.1569 11.9787 12.1985 15.2082 15.3540 15.3772 15.4921 16.4212 16.4838 17.2442 17.3270 19.7530 19.8764 20.0790 20.1769 k = 0.2184 0.3783-0.0000 ( 1796 PWs) bands (ev): -51.3784 -51.3783 -24.4758 -24.4715 -16.2271 -16.2159 -15.8314 -15.7956 -6.4664 -6.4389 1.2667 1.4326 8.0675 8.1587 8.8527 8.8752 9.4990 9.5622 9.9608 9.9630 11.1779 11.2161 11.9519 12.1590 15.1870 15.3464 15.4517 15.5862 16.3553 16.4185 17.3653 17.4497 19.7723 19.8919 20.1622 20.2796 k = 0.2126 0.3683-0.0000 ( 1796 PWs) bands (ev): -51.3786 -51.3785 -24.4749 -24.4708 -16.2254 -16.2148 -15.8267 -15.7927 -6.4746 -6.4486 1.2483 1.4050 8.0588 8.1438 8.8119 8.8335 9.5008 9.5618 9.9308 9.9354 11.2388 11.2772 11.9206 12.1154 15.1605 15.3152 15.5577 15.6836 16.2911 16.3546 17.4899 17.5755 19.7881 19.9007 20.2408 20.3752 k = 0.2069 0.3584-0.0000 ( 1796 PWs) bands (ev): -51.3787 -51.3786 -24.4739 -24.4700 -16.2236 -16.2136 -15.8219 -15.7897 -6.4832 -6.4586 1.2289 1.3765 8.0489 8.1279 8.7702 8.7910 9.5035 9.5618 9.9054 9.9117 11.3013 11.3400 11.8855 12.0683 15.1339 15.2854 15.6652 15.7811 16.2289 16.2923 17.6173 17.7039 19.8001 19.9012 20.3159 20.4596 k = 0.2011 0.3484-0.0000 ( 1796 PWs) bands (ev): -51.3788 -51.3788 -24.4729 -24.4692 -16.2218 -16.2123 -15.8170 -15.7866 -6.4921 -6.4690 1.2088 1.3473 8.0381 8.1111 8.7279 8.7477 9.5072 9.5625 9.8845 9.8922 11.3653 11.4043 11.8473 12.0184 15.1083 15.2571 15.7714 15.8760 16.1698 16.2320 17.7470 17.8342 19.8077 19.8924 20.3885 20.5215 k = 0.1954 0.3384-0.0000 ( 1792 PWs) bands (ev): -51.3790 -51.3789 -24.4719 -24.4684 -16.2199 -16.2110 -15.8119 -15.7834 -6.5014 -6.4797 1.1878 1.3174 8.0261 8.0935 8.6849 8.7037 9.5121 9.5637 9.8683 9.8766 11.4306 11.4701 11.8067 11.9664 15.0843 15.2307 15.8737 15.9624 16.1178 16.1742 17.8785 17.9657 19.8107 19.8742 20.4590 20.5469 k = 0.1897 0.3285-0.0000 ( 1786 PWs) bands (ev): -51.3791 -51.3791 -24.4708 -24.4676 -16.2179 -16.2095 -15.8067 -15.7800 -6.5110 -6.4907 1.1660 1.2869 8.0132 8.0751 8.6416 8.6593 9.5181 9.5655 9.8567 9.8651 11.4964 11.5372 11.7647 11.9127 15.0620 15.2060 15.9670 16.0062 16.1053 16.1221 18.0110 18.0977 19.8096 19.8488 20.5272 20.5536 k = 0.1839 0.3185-0.0000 ( 1790 PWs) bands (ev): -51.3793 -51.3792 -24.4697 -24.4667 -16.2159 -16.2081 -15.8015 -15.7765 -6.5209 -6.5020 1.1436 1.2559 7.9994 8.0559 8.5979 8.6146 9.5253 9.5681 9.8495 9.8574 11.5608 11.6052 11.7237 11.8581 15.0414 15.1832 15.9731 16.0210 16.1040 16.1648 18.1438 18.2294 19.8057 19.8194 20.5614 20.5917 k = 0.1782 0.3086-0.0000 ( 1790 PWs) bands (ev): -51.3795 -51.3794 -24.4687 -24.4658 -16.2138 -16.2065 -15.7962 -15.7730 -6.5310 -6.5135 1.1206 1.2244 7.9847 8.0362 8.5541 8.5697 9.5337 9.5716 9.8466 9.8535 11.6110 11.6729 11.6968 11.8041 15.0228 15.1623 15.9234 15.9897 16.1641 16.2341 18.2760 18.3596 19.7904 19.8010 20.5745 20.6427 k = 0.1724 0.2986-0.0000 ( 1790 PWs) bands (ev): -51.3796 -51.3796 -24.4675 -24.4649 -16.2117 -16.2050 -15.7909 -15.7693 -6.5414 -6.5252 1.0970 1.1927 7.9693 8.0161 8.5102 8.5248 9.5434 9.5760 9.8478 9.8535 11.6020 11.7215 11.7292 11.7698 15.0062 15.1433 15.8725 15.9414 16.2321 16.2960 18.4065 18.4873 19.7658 19.7979 20.5917 20.6569 k = 0.1667 0.2887-0.0000 ( 1792 PWs) bands (ev): -51.3798 -51.3798 -24.4664 -24.4640 -16.2096 -16.2033 -15.7855 -15.7656 -6.5520 -6.5371 1.0729 1.1608 7.9534 7.9956 8.4664 8.4799 9.5542 9.5814 9.8528 9.8571 11.5610 11.6819 11.7940 11.8244 14.9915 15.1262 15.8226 15.8924 16.2899 16.3465 18.5340 18.6112 19.7494 19.7992 20.6102 20.6634 k = 0.1609 0.2787-0.0000 ( 1796 PWs) bands (ev): -51.3800 -51.3799 -24.4653 -24.4631 -16.2074 -16.2017 -15.7801 -15.7618 -6.5627 -6.5491 1.0485 1.1287 7.9369 7.9749 8.4228 8.4353 9.5659 9.5880 9.8615 9.8643 11.5147 11.6272 11.8647 11.8950 14.9789 15.1110 15.7745 15.8446 16.3340 16.3835 18.6573 18.7299 19.7436 19.8069 20.6253 20.6707 k = 0.1552 0.2688-0.0000 ( 1800 PWs) bands (ev): -51.3802 -51.3801 -24.4641 -24.4621 -16.2052 -16.2000 -15.7747 -15.7579 -6.5736 -6.5612 1.0236 1.0966 7.9202 7.9542 8.3795 8.3910 9.5785 9.5955 9.8737 9.8752 11.4670 11.5715 11.9373 11.9674 14.9683 15.0978 15.7283 15.7986 16.3628 16.4058 18.7746 18.8419 19.7500 19.8219 20.6309 20.6755 k = 0.1494 0.2588-0.0000 ( 1798 PWs) bands (ev): -51.3803 -51.3803 -24.4630 -24.4612 -16.2030 -16.1983 -15.7693 -15.7540 -6.5846 -6.5733 0.9986 1.0647 7.9033 7.9336 8.3367 8.3473 9.5916 9.6041 9.8893 9.8897 11.4190 11.5162 12.0109 12.0405 14.9599 15.0865 15.6843 15.7546 16.3753 16.4126 18.8843 18.9454 19.7685 19.8439 20.6207 20.6739 k = 0.1437 0.2489-0.0000 ( 1802 PWs) bands (ev): -51.3805 -51.3805 -24.4619 -24.4602 -16.2009 -16.1965 -15.7639 -15.7500 -6.5957 -6.5854 0.9734 1.0329 7.8864 7.9133 8.2946 8.3041 9.6051 9.6135 9.9077 9.9080 11.3712 11.4616 12.0849 12.1138 14.9536 15.0772 15.6425 15.7126 16.3716 16.4040 18.9841 19.0383 19.7972 19.8714 20.5958 20.6651 k = 0.1379 0.2389-0.0000 ( 1798 PWs) bands (ev): -51.3807 -51.3806 -24.4607 -24.4593 -16.1987 -16.1948 -15.7585 -15.7460 -6.6067 -6.5976 0.9482 1.0014 7.8695 7.8933 8.2531 8.2618 9.6188 9.6237 9.9292 9.9299 11.3240 11.4079 12.1592 12.1872 14.9495 15.0698 15.6031 15.6729 16.3522 16.3804 19.0713 19.1176 19.8331 19.9021 20.5674 20.6544 k = 0.1322 0.2289-0.0000 ( 1794 PWs) bands (ev): -51.3808 -51.3808 -24.4596 -24.4583 -16.1966 -16.1931 -15.7532 -15.7420 -6.6178 -6.6096 0.9229 0.9703 7.8529 7.8738 8.2125 8.2203 9.6323 9.6344 9.9542 9.9547 11.2775 11.3554 12.2333 12.2603 14.9475 15.0643 15.5662 15.6353 16.3182 16.3430 19.1419 19.1795 19.8730 19.9351 20.5497 20.6491 k = 0.1264 0.2190-0.0000 ( 1794 PWs) bands (ev): -51.3810 -51.3810 -24.4585 -24.4573 -16.1944 -16.1913 -15.7480 -15.7380 -6.6288 -6.6215 0.8978 0.9398 7.8366 7.8548 8.1728 8.1799 9.6456 9.6457 9.9824 9.9824 11.2321 11.3042 12.3070 12.3328 14.9478 15.0606 15.5317 15.6001 16.2712 16.2931 19.1912 19.2193 19.9156 19.9719 20.5521 20.6498 k = 0.1207 0.2090-0.0000 ( 1789 PWs) bands (ev): -51.3812 -51.3811 -24.4574 -24.4564 -16.1924 -16.1896 -15.7428 -15.7340 -6.6397 -6.6333 0.8729 0.9098 7.8207 7.8365 8.1343 8.1406 9.6570 9.6588 10.0127 10.0136 11.1878 11.2545 12.3800 12.4044 14.9502 15.0588 15.4999 15.5671 16.2129 16.2325 19.2147 19.2335 19.9635 20.0165 20.5757 20.6419 k = 0.1149 0.1991-0.0000 ( 1789 PWs) bands (ev): -51.3813 -51.3813 -24.4564 -24.4555 -16.1903 -16.1879 -15.7378 -15.7301 -6.6504 -6.6448 0.8484 0.8805 7.8053 7.8188 8.0970 8.1026 9.6685 9.6714 10.0456 10.0477 11.1448 11.2064 12.4520 12.4750 14.9547 15.0588 15.4707 15.5365 16.1453 16.1628 19.2107 19.2217 20.0207 20.0718 20.6066 20.6100 k = 0.1092 0.1891-0.0000 ( 1791 PWs) bands (ev): -51.3815 -51.3815 -24.4553 -24.4546 -16.1884 -16.1863 -15.7328 -15.7261 -6.6610 -6.6562 0.8242 0.8520 7.7903 7.8019 8.0611 8.0660 9.6800 9.6836 10.0807 10.0842 11.1033 11.1600 12.5227 12.5441 14.9614 15.0606 15.4441 15.5082 16.0700 16.0858 19.1819 19.1876 20.0892 20.1373 20.5527 20.6040 k = 0.1034 0.1792-0.0000 ( 1791 PWs) bands (ev): -51.3816 -51.3816 -24.4543 -24.4537 -16.1865 -16.1847 -15.7281 -15.7223 -6.6714 -6.6672 0.8006 0.8244 7.7759 7.7857 8.0266 8.0310 9.6914 9.6954 10.1179 10.1228 11.0634 11.1155 12.5917 12.6114 14.9703 15.0642 15.4203 15.4823 15.9889 16.0031 19.1343 19.1366 20.1671 20.2077 20.4965 20.5397 k = 0.0977 0.1692-0.0000 ( 1795 PWs) bands (ev): -51.3818 -51.3818 -24.4534 -24.4528 -16.1846 -16.1831 -15.7234 -15.7185 -6.6815 -6.6779 0.7775 0.7978 7.7621 7.7702 7.9938 7.9976 9.7026 9.7066 10.1568 10.1633 11.0252 11.0729 12.6587 12.6767 14.9811 15.0693 15.3991 15.4587 15.9036 15.9164 19.0739 19.0744 20.2504 20.2669 20.4565 20.4676 k = 0.0920 0.1593-0.0000 ( 1797 PWs) bands (ev): -51.3820 -51.3819 -24.4524 -24.4519 -16.1829 -16.1816 -15.7190 -15.7148 -6.6912 -6.6882 0.7552 0.7722 7.7488 7.7556 7.9627 7.9659 9.7134 9.7173 10.1972 10.2051 10.9888 11.0323 12.7234 12.7396 14.9939 15.0760 15.3806 15.4373 15.8155 15.8271 19.0055 19.0059 20.2760 20.3296 20.3981 20.4714 k = 0.0862 0.1493-0.0000 ( 1797 PWs) bands (ev): -51.3821 -51.3821 -24.4515 -24.4511 -16.1812 -16.1801 -15.7147 -15.7112 -6.7007 -6.6982 0.7336 0.7477 7.7361 7.7416 7.9334 7.9362 9.7239 9.7275 10.2387 10.2478 10.9543 10.9939 12.7855 12.7999 15.0085 15.0841 15.3648 15.4182 15.7262 15.7364 18.9334 18.9341 20.2352 20.3162 20.4048 20.5395 k = 0.0805 0.1394-0.0000 ( 1799 PWs) bands (ev): -51.3822 -51.3822 -24.4507 -24.4503 -16.1796 -16.1787 -15.7106 -15.7078 -6.7097 -6.7077 0.7130 0.7245 7.7239 7.7283 7.9061 7.9084 9.7339 9.7372 10.2809 10.2911 10.9217 10.9576 12.8446 12.8572 15.0246 15.0934 15.3516 15.4013 15.6367 15.6458 18.8604 18.8612 20.1795 20.2479 20.4126 20.5131 k = 0.0747 0.1294-0.0000 ( 1807 PWs) bands (ev): -51.3824 -51.3824 -24.4499 -24.4496 -16.1781 -16.1774 -15.7068 -15.7045 -6.7183 -6.7167 0.6933 0.7026 7.7122 7.7156 7.8808 7.8828 9.7435 9.7463 10.3233 10.3345 10.8912 10.9236 12.9005 12.9112 15.0421 15.1036 15.3407 15.3861 15.5486 15.5564 18.7884 18.7891 20.1212 20.1800 20.3690 20.4369 k = 0.0690 0.1195-0.0000 ( 1807 PWs) bands (ev): -51.3825 -51.3825 -24.4491 -24.4489 -16.1767 -16.1761 -15.7032 -15.7013 -6.7265 -6.7252 0.6746 0.6820 7.7009 7.7036 7.8577 7.8594 9.7525 9.7549 10.3657 10.3775 10.8629 10.8919 12.9529 12.9619 15.0606 15.1146 15.3316 15.3718 15.4637 15.4699 18.7187 18.7193 20.0637 20.1144 20.3081 20.3607 k = 0.0632 0.1095-0.0000 ( 1811 PWs) bands (ev): -51.3826 -51.3826 -24.4484 -24.4482 -16.1754 -16.1750 -15.6998 -15.6984 -6.7341 -6.7331 0.6572 0.6628 7.6901 7.6921 7.8368 7.8382 9.7610 9.7629 10.4073 10.4195 10.8369 10.8626 13.0015 13.0088 15.0797 15.1259 15.3214 15.3496 15.3901 15.3918 18.6523 18.6528 20.0083 20.0515 20.2431 20.2857 k = 0.0575 0.0995-0.0000 ( 1811 PWs) bands (ev): -51.3827 -51.3827 -24.4478 -24.4476 -16.1742 -16.1739 -15.6966 -15.6956 -6.7412 -6.7404 0.6409 0.6452 7.6797 7.6811 7.8182 7.8193 9.7688 9.7704 10.4478 10.4600 10.8132 10.8359 13.0462 13.0520 15.0989 15.1370 15.2859 15.2879 15.3421 15.3653 18.5899 18.5903 19.9556 19.9917 20.1785 20.2132 k = 0.0517 0.0896-0.0000 ( 1813 PWs) bands (ev): -51.3828 -51.3828 -24.4472 -24.4471 -16.1732 -16.1729 -15.6938 -15.6930 -6.7478 -6.7472 0.6259 0.6290 7.6697 7.6707 7.8019 7.8027 9.7760 9.7772 10.4866 10.4985 10.7920 10.8117 13.0867 13.0911 15.1176 15.1471 15.2150 15.2183 15.3340 15.3569 18.5322 18.5324 19.9060 19.9353 20.1166 20.1444 k = 0.0460 0.0796-0.0000 ( 1811 PWs) bands (ev): -51.3829 -51.3829 -24.4466 -24.4466 -16.1722 -16.1720 -15.6912 -15.6906 -6.7537 -6.7533 0.6123 0.6145 7.6603 7.6610 7.7877 7.7883 9.7825 9.7833 10.5230 10.5342 10.7734 10.7903 13.1230 13.1262 15.1350 15.1406 15.1459 15.1659 15.3341 15.3526 18.4795 18.4796 19.8598 19.8826 20.0589 20.0804 k = 0.0402 0.0697-0.0000 ( 1815 PWs) bands (ev): -51.3830 -51.3830 -24.4461 -24.4461 -16.1713 -16.1712 -15.6889 -15.6885 -6.7590 -6.7587 0.6001 0.6016 7.6515 7.6519 7.7757 7.7761 9.7883 9.7889 10.5564 10.5666 10.7577 10.7717 13.1550 13.1573 15.0815 15.0817 15.1516 15.1700 15.3373 15.3509 18.4322 18.4323 19.8173 19.8340 20.0065 20.0222 k = 0.0345 0.0597-0.0000 ( 1811 PWs) bands (ev): -51.3831 -51.3831 -24.4457 -24.4457 -16.1705 -16.1705 -15.6869 -15.6867 -6.7637 -6.7635 0.5894 0.5903 7.6434 7.6437 7.7656 7.7659 9.7933 9.7937 10.5860 10.5947 10.7451 10.7563 13.1827 13.1841 15.0244 15.0248 15.1655 15.1776 15.3421 15.3513 18.3908 18.3908 19.7787 19.7901 19.9602 19.9708 k = 0.0287 0.0498-0.0000 ( 1807 PWs) bands (ev): -51.3831 -51.3831 -24.4454 -24.4454 -16.1699 -16.1699 -15.6852 -15.6851 -6.7676 -6.7675 0.5802 0.5808 7.6363 7.6364 7.7574 7.7576 9.7976 9.7979 10.6110 10.6178 10.7362 10.7444 13.2060 13.2068 14.9747 14.9750 15.1770 15.1843 15.3478 15.3533 18.3553 18.3553 19.7444 19.7515 19.9204 19.9270 k = 0.0230 0.0398-0.0000 ( 1803 PWs) bands (ev): -51.3831 -51.3831 -24.4451 -24.4451 -16.1694 -16.1694 -15.6838 -15.6837 -6.7709 -6.7709 0.5727 0.5730 7.6302 7.6303 7.7510 7.7511 9.8012 9.8013 10.6304 10.6349 10.7312 10.7364 13.2249 13.2254 14.9331 14.9333 15.1860 15.1898 15.3536 15.3565 18.3260 18.3260 19.7150 19.7187 19.8875 19.8910 k = 0.0172 0.0299-0.0000 ( 1811 PWs) bands (ev): -51.3832 -51.3832 -24.4449 -24.4449 -16.1690 -16.1690 -15.6827 -15.6827 -6.7735 -6.7735 0.5667 0.5668 7.6254 7.6254 7.7461 7.7461 9.8039 9.8040 10.6437 10.6460 10.7299 10.7325 13.2396 13.2398 14.9001 14.9002 15.1925 15.1941 15.3588 15.3600 18.3031 18.3031 19.6909 19.6926 19.8617 19.8633 k = 0.0115 0.0199-0.0000 ( 1815 PWs) bands (ev): -51.3832 -51.3832 -24.4447 -24.4447 -16.1687 -16.1687 -15.6819 -15.6819 -6.7753 -6.7753 0.5625 0.5625 7.6218 7.6218 7.7427 7.7427 9.8059 9.8059 10.6513 10.6521 10.7311 10.7320 13.2501 13.2501 14.8762 14.8762 15.1967 15.1972 15.3628 15.3632 18.2866 18.2866 19.6730 19.6735 19.8432 19.8436 k = 0.0057 0.0100-0.0000 ( 1819 PWs) bands (ev): -51.3833 -51.3833 -24.4446 -24.4446 -16.1686 -16.1686 -15.6815 -15.6815 -6.7765 -6.7765 0.5599 0.5599 7.6196 7.6196 7.7406 7.7406 9.8071 9.8071 10.6547 10.6548 10.7328 10.7329 13.2563 13.2563 14.8617 14.8617 15.1991 15.1992 15.3654 15.3655 18.2767 18.2767 19.6620 19.6620 19.8319 19.8320 k = 0.0000 0.0000 0.0000 ( 1823 PWs) bands (ev): -51.3833 -51.3833 -24.4446 -24.4446 -16.1685 -16.1685 -15.6813 -15.6813 -6.7768 -6.7768 0.5590 0.5590 7.6189 7.6189 7.7400 7.7400 9.8075 9.8075 10.6556 10.6556 10.7335 10.7335 13.2584 13.2584 14.8569 14.8569 15.1999 15.1999 15.3663 15.3663 18.2734 18.2734 19.6582 19.6582 19.8282 19.8282 k = 0.0000 0.0000 0.0000 ( 1823 PWs) bands (ev): -51.3833 -51.3833 -24.4446 -24.4446 -16.1685 -16.1685 -15.6813 -15.6813 -6.7768 -6.7768 0.5590 0.5590 7.6189 7.6189 7.7400 7.7400 9.8075 9.8075 10.6556 10.6556 10.7335 10.7335 13.2584 13.2584 14.8569 14.8569 15.1999 15.1999 15.3663 15.3663 18.2734 18.2734 19.6582 19.6582 19.8282 19.8282 k = 0.0000 0.0000 0.0115 ( 1823 PWs) bands (ev): -51.3833 -51.3833 -24.4446 -24.4446 -16.1690 -16.1690 -15.6813 -15.6813 -6.7747 -6.7747 0.5593 0.5593 7.6179 7.6179 7.7385 7.7393 9.8016 9.8016 10.6544 10.6551 10.7326 10.7326 13.2543 13.2543 14.8596 14.8596 15.2029 15.2029 15.3695 15.3697 18.2775 18.2775 19.6580 19.6580 19.8265 19.8294 k = 0.0000 0.0000 0.0229 ( 1823 PWs) bands (ev): -51.3833 -51.3833 -24.4448 -24.4448 -16.1703 -16.1703 -15.6813 -15.6813 -6.7684 -6.7684 0.5601 0.5601 7.6151 7.6151 7.7349 7.7364 9.7841 9.7841 10.6515 10.6530 10.7300 10.7300 13.2421 13.2421 14.8678 14.8678 15.2119 15.2119 15.3791 15.3795 18.2896 18.2896 19.6574 19.6574 19.8245 19.8303 k = 0.0000 0.0000 0.0344 ( 1805 PWs) bands (ev): -51.3832 -51.3832 -24.4450 -24.4450 -16.1726 -16.1726 -15.6812 -15.6812 -6.7580 -6.7580 0.5615 0.5615 7.6104 7.6104 7.7293 7.7314 9.7551 9.7551 10.6470 10.6493 10.7256 10.7256 13.2221 13.2221 14.8814 14.8814 15.2269 15.2269 15.3952 15.3958 18.3095 18.3095 19.6565 19.6565 19.8222 19.8308 k = 0.0000 0.0000 0.0458 ( 1817 PWs) bands (ev): -51.3832 -51.3832 -24.4454 -24.4454 -16.1758 -16.1758 -15.6812 -15.6812 -6.7434 -6.7434 0.5635 0.5635 7.6038 7.6038 7.7215 7.7244 9.7148 9.7148 10.6409 10.6439 10.7195 10.7195 13.1946 13.1946 14.9002 14.9002 15.2477 15.2477 15.4176 15.4183 18.3369 18.3369 19.6551 19.6551 19.8195 19.8310 k = 0.0000 0.0000 0.0573 ( 1817 PWs) bands (ev): -51.3832 -51.3832 -24.4459 -24.4459 -16.1799 -16.1799 -15.6811 -15.6811 -6.7248 -6.7248 0.5659 0.5659 7.5955 7.5955 7.7118 7.7153 9.6636 9.6636 10.6333 10.6370 10.7118 10.7118 13.1604 13.1604 14.9243 14.9243 15.2743 15.2743 15.4463 15.4471 18.3715 18.3715 19.6534 19.6534 19.8166 19.8308 k = 0.0000 0.0000 0.0687 ( 1811 PWs) bands (ev): -51.3831 -51.3831 -24.4465 -24.4465 -16.1847 -16.1847 -15.6810 -15.6810 -6.7021 -6.7021 0.5689 0.5689 7.5854 7.5854 7.7002 7.7043 9.6019 9.6019 10.6242 10.6285 10.7026 10.7026 13.1199 13.1199 14.9533 14.9533 15.3066 15.3066 15.4811 15.4820 18.4127 18.4127 19.6512 19.6512 19.8135 19.8303 k = 0.0000 0.0000 0.0802 ( 1799 PWs) bands (ev): -51.3830 -51.3830 -24.4471 -24.4471 -16.1904 -16.1904 -15.6809 -15.6808 -6.6756 -6.6756 0.5724 0.5724 7.5738 7.5738 7.6867 7.6915 9.5302 9.5302 10.6136 10.6186 10.6919 10.6919 13.0739 13.0739 14.9873 14.9873 15.3445 15.3445 15.5220 15.5229 18.4600 18.4600 19.6486 19.6486 19.8102 19.8296 k = 0.0000 0.0000 0.0916 ( 1799 PWs) bands (ev): -51.3830 -51.3830 -24.4479 -24.4479 -16.1969 -16.1969 -15.6807 -15.6807 -6.6454 -6.6454 0.5763 0.5763 7.5606 7.5606 7.6716 7.6770 9.4492 9.4492 10.6017 10.6073 10.6799 10.6799 13.0232 13.0232 15.0261 15.0261 15.3878 15.3878 15.5687 15.5695 18.5127 18.5127 19.6456 19.6456 19.8067 19.8287 k = 0.0000 0.0000 0.1031 ( 1799 PWs) bands (ev): -51.3829 -51.3829 -24.4487 -24.4487 -16.2040 -16.2040 -15.6806 -15.6806 -6.6115 -6.6115 0.5807 0.5807 7.5460 7.5460 7.6550 7.6608 9.3593 9.3593 10.5885 10.5947 10.6667 10.6667 12.9684 12.9684 15.0695 15.0695 15.4362 15.4362 15.6211 15.6218 18.5702 18.5702 19.6422 19.6422 19.8032 19.8276 k = 0.0000 0.0000 0.1145 ( 1805 PWs) bands (ev): -51.3828 -51.3828 -24.4497 -24.4497 -16.2119 -16.2119 -15.6804 -15.6804 -6.5741 -6.5741 0.5855 0.5855 7.5300 7.5300 7.6369 7.6432 9.2615 9.2615 10.5741 10.5808 10.6523 10.6523 12.9102 12.9102 15.1176 15.1176 15.4897 15.4897 15.6789 15.6794 18.6318 18.6318 19.6383 19.6383 19.7996 19.8264 k = 0.0000 0.0000 0.1260 ( 1805 PWs) bands (ev): -51.3828 -51.3828 -24.4507 -24.4507 -16.2204 -16.2204 -15.6802 -15.6802 -6.5334 -6.5334 0.5907 0.5907 7.5129 7.5129 7.6175 7.6243 9.1564 9.1564 10.5587 10.5658 10.6369 10.6369 12.8493 12.8493 15.1701 15.1701 15.5480 15.5480 15.7419 15.7422 18.6969 18.6969 19.6342 19.6342 19.7960 19.8250 k = 0.0000 0.0000 0.1374 ( 1805 PWs) bands (ev): -51.3827 -51.3827 -24.4518 -24.4518 -16.2293 -16.2293 -15.6800 -15.6800 -6.4895 -6.4895 0.5962 0.5962 7.4948 7.4948 7.5971 7.6042 9.0448 9.0448 10.5423 10.5498 10.6205 10.6205 12.7864 12.7864 15.2271 15.2271 15.6109 15.6109 15.8098 15.8100 18.7646 18.7646 19.6297 19.6297 19.7924 19.8236 k = 0.0000 0.0000 0.1489 ( 1805 PWs) bands (ev): -51.3826 -51.3826 -24.4529 -24.4529 -16.2388 -16.2388 -15.6798 -15.6798 -6.4428 -6.4428 0.6021 0.6021 7.4757 7.4757 7.5756 7.5831 8.9276 8.9276 10.5250 10.5329 10.6034 10.6034 12.7218 12.7218 15.2884 15.2884 15.6781 15.6781 15.8821 15.8827 18.8343 18.8343 19.6248 19.6248 19.7888 19.8221 k = 0.0000 0.0000 0.1603 ( 1799 PWs) bands (ev): -51.3825 -51.3825 -24.4541 -24.4541 -16.2487 -16.2487 -15.6796 -15.6796 -6.3932 -6.3932 0.6081 0.6081 7.4558 7.4558 7.5534 7.5611 8.8055 8.8055 10.5069 10.5152 10.5855 10.5855 12.6563 12.6563 15.3541 15.3541 15.7494 15.7494 15.9587 15.9600 18.9052 18.9052 19.6196 19.6196 19.7851 19.8206 k = 0.0000 0.0000 0.1718 ( 1799 PWs) bands (ev): -51.3824 -51.3824 -24.4554 -24.4554 -16.2590 -16.2590 -15.6794 -15.6794 -6.3412 -6.3412 0.6144 0.6144 7.4352 7.4352 7.5305 7.5385 8.6794 8.6794 10.4883 10.4968 10.5671 10.5671 12.5902 12.5902 15.4240 15.4240 15.8245 15.8245 16.0394 16.0414 18.9765 18.9765 19.6141 19.6141 19.7814 19.8189 k = 0.0000 0.0000 0.1833 ( 1799 PWs) bands (ev): -51.3823 -51.3823 -24.4567 -24.4567 -16.2695 -16.2695 -15.6792 -15.6792 -6.2870 -6.2870 0.6209 0.6209 7.4140 7.4140 7.5071 7.5152 8.5501 8.5501 10.4691 10.4778 10.5482 10.5482 12.5240 12.5240 15.4982 15.4982 15.9032 15.9032 16.1239 16.1266 19.0475 19.0475 19.6082 19.6082 19.7776 19.8170 k = 0.0000 0.0000 0.1947 ( 1799 PWs) bands (ev): -51.3822 -51.3822 -24.4580 -24.4580 -16.2803 -16.2803 -15.6790 -15.6790 -6.2308 -6.2308 0.6275 0.6275 7.3924 7.3924 7.4833 7.4916 8.4184 8.4184 10.4495 10.4583 10.5289 10.5289 12.4581 12.4581 15.5764 15.5764 15.9851 15.9851 16.2118 16.2154 19.1172 19.1172 19.6019 19.6019 19.7736 19.8149 k = 0.0000 0.0000 0.2062 ( 1799 PWs) bands (ev): -51.3820 -51.3820 -24.4594 -24.4594 -16.2913 -16.2913 -15.6787 -15.6787 -6.1728 -6.1728 0.6341 0.6341 7.3705 7.3705 7.4594 7.4677 8.2852 8.2852 10.4297 10.4386 10.5093 10.5093 12.3928 12.3928 15.6587 15.6587 16.0699 16.0699 16.3029 16.3075 19.1849 19.1849 19.5952 19.5952 19.7694 19.8126 k = 0.0000 0.0000 0.2176 ( 1793 PWs) bands (ev): -51.3819 -51.3819 -24.4608 -24.4608 -16.3024 -16.3024 -15.6785 -15.6785 -6.1134 -6.1134 0.6408 0.6408 7.3482 7.3482 7.4354 7.4438 8.1513 8.1513 10.4097 10.4186 10.4896 10.4896 12.3284 12.3284 15.7450 15.7450 16.1574 16.1574 16.3967 16.4025 19.2496 19.2496 19.5881 19.5881 19.7649 19.8099 k = 0.0000 0.0000 0.2291 ( 1805 PWs) bands (ev): -51.3818 -51.3818 -24.4622 -24.4622 -16.3135 -16.3135 -15.6782 -15.6782 -6.0530 -6.0530 0.6475 0.6475 7.3257 7.3257 7.4116 7.4199 8.0176 8.0176 10.3896 10.3985 10.4699 10.4699 12.2652 12.2652 15.8351 15.8351 16.2472 16.2472 16.4930 16.5000 19.3103 19.3103 19.5804 19.5804 19.7600 19.8066 k = 0.0000 0.0000 0.2405 ( 1804 PWs) bands (ev): -51.3817 -51.3817 -24.4636 -24.4636 -16.3245 -16.3245 -15.6780 -15.6780 -5.9917 -5.9917 0.6541 0.6541 7.3030 7.3030 7.3879 7.3962 7.8849 7.8849 10.3697 10.3785 10.4503 10.4503 12.2035 12.2035 15.9291 15.9291 16.3389 16.3389 16.5913 16.5997 19.3661 19.3661 19.5721 19.5721 19.7545 19.8028 k = 0.0000 0.0000 0.2520 ( 1804 PWs) bands (ev): -51.3816 -51.3816 -24.4650 -24.4650 -16.3354 -16.3354 -15.6778 -15.6777 -5.9300 -5.9300 0.6606 0.6606 7.2797 7.2797 7.3646 7.3728 7.7543 7.7543 10.3499 10.3586 10.4308 10.4308 12.1435 12.1435 16.0267 16.0267 16.4323 16.4323 16.6914 16.7012 19.4156 19.4156 19.5633 19.5633 19.7483 19.7983 k = 0.0000 0.0000 0.2634 ( 1792 PWs) bands (ev): -51.3815 -51.3815 -24.4663 -24.4663 -16.3462 -16.3462 -15.6775 -15.6775 -5.8681 -5.8681 0.6669 0.6669 7.2556 7.2556 7.3419 7.3498 7.6270 7.6270 10.3305 10.3390 10.4117 10.4117 12.0854 12.0854 16.1279 16.1279 16.5269 16.5269 16.7928 16.8041 19.4577 19.4577 19.5543 19.5543 19.7415 19.7930 k = 0.0000 0.0000 0.2749 ( 1792 PWs) bands (ev): -51.3814 -51.3814 -24.4677 -24.4677 -16.3568 -16.3568 -15.6773 -15.6773 -5.8065 -5.8065 0.6730 0.6730 7.2291 7.2291 7.3197 7.3274 7.5051 7.5051 10.3114 10.3198 10.3930 10.3930 12.0294 12.0294 16.2326 16.2326 16.6223 16.6223 16.8951 16.9081 19.4898 19.4898 19.5461 19.5461 19.7337 19.7866 k = 0.0000 0.0000 0.2863 ( 1798 PWs) bands (ev): -51.3813 -51.3813 -24.4691 -24.4691 -16.3671 -16.3671 -15.6770 -15.6770 -5.7455 -5.7455 0.6789 0.6789 7.1966 7.1966 7.2982 7.3057 7.3932 7.3932 10.2929 10.3010 10.3747 10.3747 11.9758 11.9758 16.3405 16.3405 16.7181 16.7181 16.9978 17.0125 19.5062 19.5062 19.5434 19.5434 19.7248 19.7790 k = 0.0000 0.0000 0.2978 ( 1798 PWs) bands (ev): -51.3812 -51.3812 -24.4704 -24.4704 -16.3770 -16.3770 -15.6768 -15.6768 -5.6856 -5.6856 0.6845 0.6845 7.1483 7.1483 7.2776 7.2848 7.3018 7.3018 10.2750 10.2828 10.3571 10.3571 11.9246 11.9246 16.4515 16.4515 16.8139 16.8139 17.1006 17.1170 19.5032 19.5032 19.5488 19.5488 19.7148 19.7701 k = 0.0000 0.0000 0.3092 ( 1798 PWs) bands (ev): -51.3811 -51.3811 -24.4716 -24.4716 -16.3866 -16.3866 -15.6766 -15.6766 -5.6270 -5.6270 0.6898 0.6898 7.0729 7.0729 7.2429 7.2429 7.2578 7.2647 10.2579 10.2653 10.3401 10.3401 11.8760 11.8760 16.5654 16.5654 16.9094 16.9094 17.2029 17.2210 19.4910 19.4910 19.5513 19.5513 19.7035 19.7598 k = 0.0000 0.0000 0.3207 ( 1798 PWs) bands (ev): -51.3810 -51.3810 -24.4728 -24.4728 -16.3957 -16.3957 -15.6764 -15.6764 -5.5701 -5.5701 0.6948 0.6948 6.9794 6.9794 7.2080 7.2080 7.2391 7.2456 10.2415 10.2486 10.3240 10.3240 11.8302 11.8302 16.6818 16.6818 17.0039 17.0039 17.3043 17.3240 19.4751 19.4751 19.5445 19.5445 19.6909 19.7479 k = 0.0000 0.0000 0.3322 ( 1798 PWs) bands (ev): -51.3809 -51.3809 -24.4740 -24.4740 -16.4043 -16.4043 -15.6762 -15.6762 -5.5155 -5.5155 0.6994 0.6994 6.8820 6.8820 7.1837 7.1837 7.2215 7.2276 10.2260 10.2327 10.3087 10.3087 11.7873 11.7873 16.8006 16.8006 17.0970 17.0970 17.4041 17.4254 19.4564 19.4564 19.5270 19.5270 19.6769 19.7342 k = 0.0000 0.0000 0.3436 ( 1798 PWs) bands (ev): -51.3808 -51.3808 -24.4751 -24.4751 -16.4124 -16.4124 -15.6760 -15.6760 -5.4634 -5.4634 0.7036 0.7036 6.7871 6.7871 7.1642 7.1642 7.2050 7.2107 10.2115 10.2178 10.2943 10.2943 11.7474 11.7474 16.9213 16.9213 17.1882 17.1882 17.5018 17.5246 19.4345 19.4345 19.4993 19.4993 19.6616 19.7188 k = 0.0000 0.0000 0.3551 ( 1804 PWs) bands (ev): -51.3807 -51.3807 -24.4761 -24.4761 -16.4200 -16.4200 -15.6758 -15.6758 -5.4142 -5.4142 0.7075 0.7075 6.6973 6.6973 7.1475 7.1475 7.1898 7.1951 10.1981 10.2038 10.2809 10.2809 11.7106 11.7106 17.0433 17.0433 17.2771 17.2771 17.5967 17.6206 19.4067 19.4067 19.4640 19.4640 19.6449 19.7016 k = 0.0000 0.0000 0.3665 ( 1810 PWs) bands (ev): -51.3807 -51.3807 -24.4770 -24.4770 -16.4269 -16.4269 -15.6757 -15.6757 -5.3684 -5.3684 0.7109 0.7109 6.6137 6.6137 7.1329 7.1329 7.1758 7.1806 10.1857 10.1910 10.2686 10.2686 11.6770 11.6770 17.1657 17.1657 17.3634 17.3634 17.6880 17.7128 19.3670 19.3670 19.4281 19.4281 19.6272 19.6827 k = 0.0000 0.0000 0.3780 ( 1810 PWs) bands (ev): -51.3806 -51.3806 -24.4779 -24.4779 -16.4332 -16.4332 -15.6755 -15.6755 -5.3263 -5.3263 0.7140 0.7140 6.5372 6.5372 7.1201 7.1201 7.1632 7.1676 10.1745 10.1793 10.2575 10.2575 11.6467 11.6467 17.2871 17.2871 17.4473 17.4473 17.7749 17.8002 19.3100 19.3100 19.3980 19.3980 19.6087 19.6623 k = 0.0000 0.0000 0.3894 ( 1822 PWs) bands (ev): -51.3806 -51.3806 -24.4786 -24.4786 -16.4389 -16.4389 -15.6754 -15.6754 -5.2882 -5.2882 0.7167 0.7167 6.4685 6.4685 7.1089 7.1089 7.1520 7.1559 10.1646 10.1688 10.2475 10.2475 11.6198 11.6198 17.4040 17.4040 17.5306 17.5306 17.8565 17.8816 19.2387 19.2387 19.3723 19.3723 19.5899 19.6407 k = 0.0000 0.0000 0.4009 ( 1822 PWs) bands (ev): -51.3805 -51.3805 -24.4793 -24.4793 -16.4438 -16.4438 -15.6753 -15.6753 -5.2544 -5.2544 0.7189 0.7189 6.4081 6.4081 7.0992 7.0992 7.1423 7.1456 10.1559 10.1595 10.2387 10.2387 11.5964 11.5964 17.5091 17.5091 17.6188 17.6188 17.9317 17.9560 19.1572 19.1572 19.3491 19.3491 19.5715 19.6185 k = 0.0000 0.0000 0.4123 ( 1822 PWs) bands (ev): -51.3805 -51.3805 -24.4799 -24.4799 -16.4480 -16.4480 -15.6752 -15.6752 -5.2253 -5.2253 0.7208 0.7208 6.3563 6.3563 7.0911 7.0911 7.1340 7.1368 10.1485 10.1516 10.2313 10.2313 11.5764 11.5764 17.5933 17.5933 17.7187 17.7187 17.9994 18.0219 19.0684 19.0684 19.3278 19.3278 19.5542 19.5962 k = 0.0000 0.0000 0.4238 ( 1822 PWs) bands (ev): -51.3804 -51.3804 -24.4804 -24.4804 -16.4515 -16.4515 -15.6751 -15.6751 -5.2012 -5.2012 0.7224 0.7224 6.3134 6.3134 7.0844 7.0844 7.1273 7.1295 10.1425 10.1449 10.2251 10.2251 11.5600 11.5600 17.6564 17.6564 17.8272 17.8272 18.0581 18.0780 18.9756 18.9756 19.3090 19.3090 19.5390 19.5748 k = 0.0000 0.0000 0.4352 ( 1822 PWs) bands (ev): -51.3804 -51.3804 -24.4807 -24.4807 -16.4542 -16.4542 -15.6750 -15.6750 -5.1821 -5.1821 0.7236 0.7236 6.2798 6.2798 7.0792 7.0792 7.1221 7.1238 10.1379 10.1397 10.2203 10.2203 11.5472 11.5472 17.7035 17.7035 17.9349 17.9349 18.1066 18.1227 18.8829 18.8829 19.2932 19.2932 19.5269 19.5552 k = 0.0000 0.0000 0.4467 ( 1822 PWs) bands (ev): -51.3804 -51.3804 -24.4810 -24.4810 -16.4561 -16.4561 -15.6750 -15.6750 -5.1684 -5.1684 0.7244 0.7244 6.2557 6.2557 7.0754 7.0754 7.1184 7.1195 10.1346 10.1358 10.2168 10.2168 11.5381 11.5381 17.7368 17.7368 18.0319 18.0319 18.1435 18.1549 18.7974 18.7974 19.2812 19.2812 19.5189 19.5386 k = 0.0000 0.0000 0.4581 ( 1822 PWs) bands (ev): -51.3804 -51.3804 -24.4812 -24.4812 -16.4573 -16.4573 -15.6749 -15.6749 -5.1601 -5.1601 0.7249 0.7249 6.2411 6.2411 7.0732 7.0732 7.1163 7.1169 10.1328 10.1334 10.2148 10.2148 11.5326 11.5326 17.7568 17.7568 18.1044 18.1044 18.1675 18.1734 18.7320 18.7320 19.2737 19.2737 19.5159 19.5260 k = 0.0000 0.0000 0.4696 ( 1816 PWs) bands (ev): -51.3804 -51.3804 -24.4812 -24.4812 -16.4577 -16.4577 -15.6749 -15.6749 -5.1574 -5.1574 0.7251 0.7251 6.2363 6.2363 7.0724 7.0724 7.1158 7.1158 10.1324 10.1324 10.2141 10.2141 11.5307 11.5307 17.7635 17.7635 18.1326 18.1326 18.1776 18.1776 18.7062 18.7062 19.2711 19.2711 19.5183 19.5183 k = 0.0000 0.0000 0.4696 ( 1816 PWs) bands (ev): -51.3804 -51.3804 -24.4812 -24.4812 -16.4577 -16.4577 -15.6749 -15.6749 -5.1574 -5.1574 0.7251 0.7251 6.2363 6.2363 7.0724 7.0724 7.1158 7.1158 10.1324 10.1324 10.2141 10.2141 11.5307 11.5307 17.7635 17.7635 18.1326 18.1326 18.1776 18.1776 18.7062 18.7062 19.2711 19.2711 19.5183 19.5183 k = 0.0100 0.0058 0.4696 ( 1822 PWs) bands (ev): -51.3804 -51.3804 -24.4812 -24.4812 -16.4577 -16.4577 -15.6751 -15.6751 -5.1570 -5.1570 0.7258 0.7258 6.2360 6.2360 7.0724 7.0724 7.1158 7.1158 10.1330 10.1330 10.2150 10.2150 11.5332 11.5332 17.7562 17.7562 18.1022 18.1022 18.2162 18.2162 18.6999 18.6999 19.2754 19.2754 19.5211 19.5211 k = 0.0200 0.0115 0.4696 ( 1818 PWs) bands (ev): -51.3803 -51.3803 -24.4813 -24.4813 -16.4577 -16.4577 -15.6755 -15.6755 -5.1561 -5.1561 0.7280 0.7280 6.2352 6.2352 7.0721 7.0721 7.1161 7.1161 10.1348 10.1348 10.2177 10.2177 11.5405 11.5405 17.7349 17.7349 18.0649 18.0649 18.2773 18.2773 18.6819 18.6819 19.2871 19.2871 19.5302 19.5302 k = 0.0300 0.0173 0.4696 ( 1818 PWs) bands (ev): -51.3803 -51.3803 -24.4814 -24.4814 -16.4577 -16.4577 -15.6762 -15.6762 -5.1545 -5.1545 0.7317 0.7317 6.2339 6.2339 7.0707 7.0707 7.1175 7.1175 10.1377 10.1377 10.2225 10.2225 11.5525 11.5525 17.7020 17.7020 18.0340 18.0340 18.3452 18.3452 18.6544 18.6544 19.3025 19.3025 19.5467 19.5467 k = 0.0400 0.0231 0.4696 ( 1822 PWs) bands (ev): -51.3803 -51.3803 -24.4816 -24.4816 -16.4578 -16.4578 -15.6773 -15.6773 -5.1523 -5.1523 0.7368 0.7368 6.2321 6.2321 7.0673 7.0673 7.1210 7.1210 10.1413 10.1413 10.2295 10.2295 11.5692 11.5692 17.6606 17.6606 18.0085 18.0085 18.4175 18.4175 18.6202 18.6202 19.3176 19.3176 19.5719 19.5719 k = 0.0500 0.0289 0.4696 ( 1818 PWs) bands (ev): -51.3803 -51.3803 -24.4817 -24.4817 -16.4578 -16.4578 -15.6786 -15.6786 -5.1495 -5.1495 0.7433 0.7433 6.2298 6.2298 7.0613 7.0613 7.1273 7.1273 10.1455 10.1455 10.2391 10.2391 11.5903 11.5903 17.6137 17.6137 17.9864 17.9864 18.4920 18.4920 18.5826 18.5826 19.3294 19.3294 19.6063 19.6063 k = 0.0600 0.0346 0.4696 ( 1818 PWs) bands (ev): -51.3802 -51.3802 -24.4820 -24.4820 -16.4579 -16.4579 -15.6801 -15.6801 -5.1460 -5.1460 0.7512 0.7512 6.2269 6.2269 7.0530 7.0530 7.1363 7.1363 10.1498 10.1498 10.2515 10.2515 11.6156 11.6156 17.5639 17.5639 17.9658 17.9658 18.5314 18.5314 18.5799 18.5799 19.3368 19.3368 19.6491 19.6491 k = 0.0700 0.0404 0.4696 ( 1814 PWs) bands (ev): -51.3802 -51.3802 -24.4822 -24.4822 -16.4579 -16.4579 -15.6820 -15.6820 -5.1420 -5.1420 0.7606 0.7606 6.2236 6.2236 7.0425 7.0425 7.1478 7.1478 10.1541 10.1541 10.2669 10.2669 11.6447 11.6447 17.5129 17.5129 17.9455 17.9455 18.4924 18.4924 18.6561 18.6561 19.3400 19.3400 19.6984 19.6984 k = 0.0800 0.0462 0.4696 ( 1808 PWs) bands (ev): -51.3801 -51.3801 -24.4826 -24.4826 -16.4580 -16.4580 -15.6841 -15.6841 -5.1374 -5.1374 0.7712 0.7712 6.2198 6.2198 7.0303 7.0303 7.1617 7.1617 10.1584 10.1584 10.2854 10.2854 11.6774 11.6774 17.4617 17.4617 17.9247 17.9247 18.4489 18.4489 18.7373 18.7373 19.3397 19.3397 19.7518 19.7518 k = 0.0900 0.0520 0.4696 ( 1808 PWs) bands (ev): -51.3801 -51.3801 -24.4829 -24.4829 -16.4581 -16.4581 -15.6864 -15.6864 -5.1323 -5.1323 0.7832 0.7832 6.2155 6.2155 7.0168 7.0168 7.1778 7.1778 10.1626 10.1626 10.3069 10.3069 11.7132 11.7132 17.4111 17.4111 17.9029 17.9029 18.4050 18.4050 18.8194 18.8194 19.3370 19.3370 19.8071 19.8071 k = 0.1000 0.0577 0.4696 ( 1804 PWs) bands (ev): -51.3800 -51.3800 -24.4833 -24.4833 -16.4581 -16.4581 -15.6890 -15.6890 -5.1266 -5.1266 0.7964 0.7964 6.2107 6.2107 7.0022 7.0022 7.1958 7.1958 10.1668 10.1668 10.3315 10.3315 11.7518 11.7518 17.3614 17.3614 17.8796 17.8796 18.3614 18.3614 18.9012 18.9012 19.3328 19.3328 19.8619 19.8619 k = 0.1100 0.0635 0.4696 ( 1804 PWs) bands (ev): -51.3799 -51.3799 -24.4837 -24.4837 -16.4582 -16.4582 -15.6919 -15.6919 -5.1204 -5.1204 0.8108 0.8108 6.2055 6.2055 6.9868 6.9868 7.2158 7.2158 10.1710 10.1710 10.3590 10.3590 11.7928 11.7928 17.3131 17.3131 17.8548 17.8548 18.3186 18.3186 18.9814 18.9814 19.3283 19.3283 19.9135 19.9135 k = 0.1200 0.0693 0.4696 ( 1800 PWs) bands (ev): -51.3799 -51.3799 -24.4842 -24.4842 -16.4583 -16.4583 -15.6949 -15.6949 -5.1138 -5.1138 0.8264 0.8264 6.1999 6.1999 6.9710 6.9710 7.2376 7.2376 10.1754 10.1754 10.3894 10.3894 11.8356 11.8356 17.2663 17.2663 17.8282 17.8282 18.2766 18.2766 19.0576 19.0576 19.3256 19.3256 19.9583 19.9583 k = 0.1300 0.0751 0.4696 ( 1800 PWs) bands (ev): -51.3798 -51.3798 -24.4846 -24.4846 -16.4585 -16.4585 -15.6982 -15.6982 -5.1067 -5.1067 0.8432 0.8432 6.1938 6.1938 6.9548 6.9548 7.2611 7.2611 10.1799 10.1799 10.4225 10.4225 11.8799 11.8799 17.2211 17.2211 17.7999 17.7999 18.2356 18.2356 19.1249 19.1249 19.3291 19.3291 19.9914 19.9914 k = 0.1400 0.0808 0.4696 ( 1798 PWs) bands (ev): -51.3797 -51.3797 -24.4852 -24.4852 -16.4586 -16.4586 -15.7016 -15.7016 -5.0992 -5.0992 0.8609 0.8609 6.1874 6.1874 6.9386 6.9386 7.2862 7.2862 10.1847 10.1847 10.4582 10.4582 11.9252 11.9252 17.1775 17.1775 17.7697 17.7697 18.1957 18.1957 19.1736 19.1736 19.3478 19.3478 20.0071 20.0071 k = 0.1500 0.0866 0.4696 ( 1794 PWs) bands (ev): -51.3796 -51.3796 -24.4857 -24.4857 -16.4587 -16.4587 -15.7053 -15.7053 -5.0913 -5.0913 0.8797 0.8797 6.1806 6.1806 6.9225 6.9225 7.3128 7.3128 10.1898 10.1898 10.4964 10.4964 11.9710 11.9710 17.1356 17.1356 17.7377 17.7377 18.1567 18.1567 19.1956 19.1956 19.3891 19.3891 20.0006 20.0006 k = 0.1600 0.0924 0.4696 ( 1786 PWs) bands (ev): -51.3795 -51.3795 -24.4863 -24.4863 -16.4589 -16.4589 -15.7090 -15.7090 -5.0830 -5.0830 0.8994 0.8994 6.1734 6.1734 6.9068 6.9068 7.3410 7.3410 10.1954 10.1954 10.5371 10.5371 12.0169 12.0169 17.0954 17.0954 17.7038 17.7038 18.1185 18.1185 19.1973 19.1973 19.4459 19.4459 19.9717 19.9717 k = 0.1700 0.0981 0.4696 ( 1782 PWs) bands (ev): -51.3794 -51.3794 -24.4868 -24.4868 -16.4590 -16.4590 -15.7130 -15.7130 -5.0744 -5.0744 0.9199 0.9199 6.1659 6.1659 6.8916 6.8916 7.3705 7.3705 10.2013 10.2013 10.5801 10.5801 12.0624 12.0624 17.0567 17.0567 17.6681 17.6681 18.0811 18.0811 19.1885 19.1885 19.5069 19.5069 19.9251 19.9251 k = 0.1800 0.1039 0.4696 ( 1786 PWs) bands (ev): -51.3793 -51.3793 -24.4875 -24.4875 -16.4592 -16.4592 -15.7170 -15.7170 -5.0656 -5.0656 0.9412 0.9412 6.1580 6.1580 6.8771 6.8771 7.4013 7.4013 10.2077 10.2077 10.6254 10.6254 12.1071 12.1071 17.0196 17.0196 17.6305 17.6305 18.0442 18.0442 19.1743 19.1743 19.5653 19.5653 19.8677 19.8677 k = 0.1900 0.1097 0.4696 ( 1786 PWs) bands (ev): -51.3792 -51.3792 -24.4881 -24.4881 -16.4594 -16.4594 -15.7212 -15.7212 -5.0564 -5.0564 0.9632 0.9632 6.1499 6.1499 6.8635 6.8635 7.4332 7.4332 10.2147 10.2147 10.6729 10.6729 12.1505 12.1505 16.9840 16.9840 17.5912 17.5912 18.0075 18.0075 19.1568 19.1568 19.6154 19.6154 19.8072 19.8072 k = 0.2000 0.1155 0.4696 ( 1788 PWs) bands (ev): -51.3791 -51.3791 -24.4887 -24.4887 -16.4596 -16.4596 -15.7255 -15.7255 -5.0471 -5.0471 0.9858 0.9858 6.1415 6.1415 6.8508 6.8508 7.4662 7.4662 10.2222 10.2222 10.7223 10.7223 12.1923 12.1923 16.9498 16.9498 17.5500 17.5500 17.9709 17.9709 19.1371 19.1371 19.6443 19.6443 19.7583 19.7583 k = 0.2100 0.1212 0.4696 ( 1780 PWs) bands (ev): -51.3790 -51.3790 -24.4894 -24.4894 -16.4598 -16.4598 -15.7298 -15.7298 -5.0376 -5.0376 1.0089 1.0089 6.1328 6.1328 6.8392 6.8392 7.5002 7.5002 10.2303 10.2303 10.7737 10.7737 12.2321 12.2321 16.9170 16.9170 17.5072 17.5072 17.9341 17.9341 19.1155 19.1155 19.6222 19.6222 19.7517 19.7517 k = 0.2200 0.1270 0.4696 ( 1780 PWs) bands (ev): -51.3789 -51.3789 -24.4901 -24.4901 -16.4600 -16.4600 -15.7342 -15.7342 -5.0280 -5.0280 1.0325 1.0325 6.1240 6.1240 6.8288 6.8288 7.5351 7.5351 10.2391 10.2391 10.8269 10.8269 12.2695 12.2695 16.8854 16.8854 17.4627 17.4627 17.8969 17.8969 19.0923 19.0923 19.5665 19.5665 19.7705 19.7705 k = 0.2300 0.1328 0.4696 ( 1784 PWs) bands (ev): -51.3788 -51.3788 -24.4908 -24.4908 -16.4603 -16.4603 -15.7386 -15.7386 -5.0183 -5.0183 1.0564 1.0564 6.1149 6.1149 6.8196 6.8196 7.5707 7.5707 10.2484 10.2484 10.8818 10.8818 12.3042 12.3042 16.8549 16.8549 17.4167 17.4167 17.8589 17.8589 19.0677 19.0677 19.5051 19.5051 19.7869 19.7869 k = 0.2400 0.1386 0.4696 ( 1784 PWs) bands (ev): -51.3787 -51.3787 -24.4914 -24.4914 -16.4605 -16.4605 -15.7431 -15.7431 -5.0085 -5.0085 1.0806 1.0806 6.1056 6.1056 6.8117 6.8117 7.6068 7.6068 10.2584 10.2584 10.9382 10.9382 12.3360 12.3360 16.8255 16.8255 17.3692 17.3692 17.8201 17.8201 19.0418 19.0418 19.4449 19.4449 19.7942 19.7942 k = 0.2500 0.1443 0.4696 ( 1788 PWs) bands (ev): -51.3786 -51.3786 -24.4921 -24.4921 -16.4608 -16.4608 -15.7475 -15.7475 -4.9988 -4.9988 1.1050 1.1050 6.0962 6.0962 6.8051 6.8051 7.6435 7.6435 10.2691 10.2691 10.9960 10.9960 12.3647 12.3647 16.7970 16.7970 17.3203 17.3203 17.7802 17.7802 19.0147 19.0147 19.3879 19.3879 19.7907 19.7907 k = 0.2600 0.1501 0.4696 ( 1788 PWs) bands (ev): -51.3785 -51.3785 -24.4928 -24.4928 -16.4611 -16.4611 -15.7520 -15.7520 -4.9890 -4.9890 1.1294 1.1294 6.0867 6.0867 6.7999 6.7999 7.6805 7.6805 10.2804 10.2804 11.0551 11.0551 12.3901 12.3901 16.7694 16.7694 17.2703 17.2703 17.7393 17.7393 18.9866 18.9866 19.3350 19.3350 19.7760 19.7760 k = 0.2700 0.1559 0.4696 ( 1792 PWs) bands (ev): -51.3784 -51.3784 -24.4935 -24.4935 -16.4613 -16.4613 -15.7564 -15.7564 -4.9793 -4.9793 1.1539 1.1539 6.0770 6.0770 6.7961 6.7961 7.7177 7.7177 10.2924 10.2924 11.1151 11.1151 12.4120 12.4120 16.7426 16.7426 17.2192 17.2192 17.6975 17.6975 18.9575 18.9575 19.2865 19.2865 19.7506 19.7506 k = 0.2800 0.1617 0.4696 ( 1792 PWs) bands (ev): -51.3783 -51.3783 -24.4942 -24.4942 -16.4616 -16.4616 -15.7608 -15.7608 -4.9697 -4.9697 1.1782 1.1782 6.0674 6.0674 6.7936 6.7936 7.7549 7.7549 10.3049 10.3049 11.1761 11.1761 12.4305 12.4305 16.7164 16.7164 17.1673 17.1673 17.6547 17.6547 18.9275 18.9275 19.2424 19.2424 19.7153 19.7153 k = 0.2900 0.1674 0.4696 ( 1796 PWs) bands (ev): -51.3782 -51.3782 -24.4949 -24.4949 -16.4619 -16.4619 -15.7651 -15.7651 -4.9603 -4.9603 1.2023 1.2023 6.0577 6.0577 6.7925 6.7925 7.7920 7.7920 10.3180 10.3180 11.2377 11.2377 12.4454 12.4454 16.6907 16.6907 17.1148 17.1148 17.6114 17.6114 18.8968 18.8968 19.2026 19.2026 19.6713 19.6713 k = 0.3000 0.1732 0.4696 ( 1798 PWs) bands (ev): -51.3781 -51.3781 -24.4955 -24.4955 -16.4622 -16.4622 -15.7693 -15.7693 -4.9510 -4.9510 1.2261 1.2261 6.0481 6.0481 6.7926 6.7926 7.8289 7.8289 10.3316 10.3316 11.2998 11.2998 12.4569 12.4569 16.6654 16.6654 17.0619 17.0619 17.5676 17.5676 18.8655 18.8655 19.1667 19.1667 19.6201 19.6201 k = 0.3100 0.1790 0.4696 ( 1802 PWs) bands (ev): -51.3781 -51.3781 -24.4962 -24.4962 -16.4625 -16.4625 -15.7734 -15.7734 -4.9420 -4.9420 1.2495 1.2495 6.0385 6.0385 6.7938 6.7938 7.8654 7.8654 10.3457 10.3457 11.3622 11.3622 12.4651 12.4651 16.6405 16.6405 17.0089 17.0089 17.5239 17.5239 18.8338 18.8338 19.1346 19.1346 19.5630 19.5630 k = 0.3200 0.1848 0.4696 ( 1802 PWs) bands (ev): -51.3780 -51.3780 -24.4968 -24.4968 -16.4628 -16.4628 -15.7774 -15.7774 -4.9332 -4.9332 1.2724 1.2724 6.0290 6.0290 6.7962 6.7962 7.9013 7.9013 10.3602 10.3602 11.4245 11.4245 12.4700 12.4700 16.6157 16.6157 16.9562 16.9562 17.4804 17.4804 18.8019 18.8019 19.1057 19.1057 19.5015 19.5015 k = 0.3300 0.1905 0.4696 ( 1806 PWs) bands (ev): -51.3779 -51.3779 -24.4975 -24.4975 -16.4631 -16.4631 -15.7813 -15.7813 -4.9247 -4.9247 1.2947 1.2947 6.0197 6.0197 6.7997 6.7997 7.9365 7.9365 10.3749 10.3749 11.4865 11.4865 12.4719 12.4719 16.5910 16.5910 16.9040 16.9040 17.4377 17.4377 18.7699 18.7699 19.0797 19.0797 19.4371 19.4371 k = 0.3400 0.1963 0.4696 ( 1806 PWs) bands (ev): -51.3778 -51.3778 -24.4981 -24.4981 -16.4634 -16.4634 -15.7850 -15.7850 -4.9165 -4.9165 1.3163 1.3163 6.0106 6.0106 6.8040 6.8040 7.9708 7.9708 10.3899 10.3899 11.5479 11.5479 12.4711 12.4711 16.5661 16.5661 16.8529 16.8529 17.3960 17.3960 18.7381 18.7381 19.0561 19.0561 19.3709 19.3709 k = 0.3500 0.2021 0.4696 ( 1802 PWs) bands (ev): -51.3777 -51.3777 -24.4986 -24.4986 -16.4636 -16.4636 -15.7886 -15.7886 -4.9086 -4.9086 1.3371 1.3371 6.0017 6.0017 6.8091 6.8091 8.0040 8.0040 10.4050 10.4050 11.6084 11.6084 12.4677 12.4677 16.5410 16.5410 16.8032 16.8032 17.3557 17.3557 18.7066 18.7066 19.0347 19.0347 19.3043 19.3043 k = 0.3600 0.2078 0.4696 ( 1794 PWs) bands (ev): -51.3776 -51.3776 -24.4992 -24.4992 -16.4639 -16.4639 -15.7920 -15.7920 -4.9011 -4.9011 1.3571 1.3571 5.9931 5.9931 6.8149 6.8149 8.0360 8.0360 10.4200 10.4200 11.6678 11.6678 12.4622 12.4622 16.5153 16.5153 16.7557 16.7557 17.3171 17.3171 18.6757 18.6757 19.0150 19.0150 19.2382 19.2382 k = 0.3700 0.2136 0.4696 ( 1794 PWs) bands (ev): -51.3775 -51.3775 -24.4997 -24.4997 -16.4642 -16.4642 -15.7952 -15.7952 -4.8940 -4.8940 1.3761 1.3761 5.9849 5.9849 6.8212 6.8212 8.0667 8.0667 10.4349 10.4349 11.7255 11.7255 12.4548 12.4548 16.4888 16.4888 16.7108 16.7108 17.2804 17.2804 18.6456 18.6456 18.9968 18.9968 19.1738 19.1738 k = 0.3800 0.2194 0.4696 ( 1788 PWs) bands (ev): -51.3774 -51.3774 -24.5002 -24.5002 -16.4644 -16.4644 -15.7982 -15.7982 -4.8873 -4.8873 1.3941 1.3941 5.9770 5.9770 6.8279 6.8279 8.0958 8.0958 10.4495 10.4495 11.7813 11.7813 12.4460 12.4460 16.4614 16.4614 16.6692 16.6692 17.2459 17.2459 18.6164 18.6164 18.9798 18.9798 19.1120 19.1120 k = 0.3900 0.2252 0.4696 ( 1800 PWs) bands (ev): -51.3774 -51.3774 -24.5007 -24.5007 -16.4647 -16.4647 -15.8011 -15.8011 -4.8811 -4.8811 1.4109 1.4109 5.9695 5.9695 6.8348 6.8348 8.1232 8.1232 10.4636 10.4636 11.8348 11.8348 12.4360 12.4360 16.4330 16.4330 16.6314 16.6314 17.2137 17.2137 18.5885 18.5885 18.9631 18.9631 19.0541 19.0541 k = 0.4000 0.2309 0.4696 ( 1800 PWs) bands (ev): -51.3773 -51.3773 -24.5011 -24.5011 -16.4649 -16.4649 -15.8037 -15.8037 -4.8753 -4.8753 1.4266 1.4266 5.9625 5.9625 6.8418 6.8418 8.1489 8.1489 10.4772 10.4772 11.8855 11.8855 12.4253 12.4253 16.4037 16.4037 16.5977 16.5977 17.1841 17.1841 18.5620 18.5620 18.9450 18.9450 19.0025 19.0025 k = 0.4100 0.2367 0.4696 ( 1800 PWs) bands (ev): -51.3773 -51.3773 -24.5015 -24.5015 -16.4651 -16.4651 -15.8061 -15.8061 -4.8700 -4.8700 1.4410 1.4410 5.9561 5.9561 6.8487 6.8487 8.1725 8.1725 10.4900 10.4900 11.9331 11.9331 12.4143 12.4143 16.3740 16.3740 16.5681 16.5681 17.1571 17.1571 18.5372 18.5372 18.9193 18.9193 18.9637 18.9637 k = 0.4200 0.2425 0.4696 ( 1800 PWs) bands (ev): -51.3772 -51.3772 -24.5018 -24.5018 -16.4653 -16.4653 -15.8082 -15.8082 -4.8653 -4.8653 1.4540 1.4540 5.9502 5.9502 6.8553 6.8553 8.1940 8.1940 10.5020 10.5020 11.9772 11.9772 12.4033 12.4033 16.3446 16.3446 16.5427 16.5427 17.1328 17.1328 18.5143 18.5143 18.8823 18.8823 18.9420 18.9420 k = 0.4300 0.2483 0.4696 ( 1800 PWs) bands (ev): -51.3772 -51.3772 -24.5022 -24.5022 -16.4655 -16.4655 -15.8102 -15.8102 -4.8610 -4.8610 1.4657 1.4657 5.9448 5.9448 6.8616 6.8616 8.2134 8.2134 10.5129 10.5129 12.0172 12.0172 12.3927 12.3927 16.3162 16.3162 16.5210 16.5210 17.1113 17.1113 18.4935 18.4935 18.8431 18.8431 18.9286 18.9286 k = 0.4400 0.2540 0.4696 ( 1796 PWs) bands (ev): -51.3771 -51.3771 -24.5024 -24.5024 -16.4657 -16.4657 -15.8118 -15.8118 -4.8573 -4.8573 1.4759 1.4759 5.9402 5.9402 6.8673 6.8673 8.2303 8.2303 10.5227 10.5227 12.0529 12.0529 12.3828 12.3828 16.2898 16.2898 16.5027 16.5027 17.0926 17.0926 18.4750 18.4750 18.8071 18.8071 18.9184 18.9184 k = 0.4500 0.2598 0.4696 ( 1800 PWs) bands (ev): -51.3771 -51.3771 -24.5027 -24.5027 -16.4658 -16.4658 -15.8133 -15.8133 -4.8541 -4.8541 1.4847 1.4847 5.9361 5.9361 6.8724 6.8724 8.2449 8.2449 10.5313 10.5313 12.0838 12.0838 12.3740 12.3740 16.2661 16.2661 16.4876 16.4876 17.0767 17.0767 18.4590 18.4590 18.7758 18.7758 18.9102 18.9102 k = 0.4600 0.2656 0.4696 ( 1808 PWs) bands (ev): -51.3771 -51.3771 -24.5029 -24.5029 -16.4659 -16.4659 -15.8145 -15.8145 -4.8516 -4.8516 1.4919 1.4919 5.9328 5.9328 6.8767 6.8767 8.2569 8.2569 10.5384 10.5384 12.1096 12.1096 12.3664 12.3664 16.2457 16.2457 16.4755 16.4755 17.0637 17.0637 18.4456 18.4456 18.7498 18.7498 18.9037 18.9037 k = 0.4700 0.2714 0.4696 ( 1808 PWs) bands (ev): -51.3770 -51.3770 -24.5030 -24.5030 -16.4660 -16.4660 -15.8154 -15.8154 -4.8495 -4.8495 1.4975 1.4975 5.9302 5.9302 6.8802 6.8802 8.2663 8.2663 10.5441 10.5441 12.1300 12.1300 12.3603 12.3603 16.2293 16.2293 16.4662 16.4662 17.0536 17.0536 18.4351 18.4351 18.7293 18.7293 18.8986 18.8986 k = 0.4800 0.2771 0.4696 ( 1804 PWs) bands (ev): -51.3770 -51.3770 -24.5031 -24.5031 -16.4661 -16.4661 -15.8160 -15.8160 -4.8481 -4.8481 1.5016 1.5016 5.9283 5.9283 6.8827 6.8827 8.2731 8.2731 10.5482 10.5482 12.1447 12.1447 12.3558 12.3558 16.2173 16.2173 16.4596 16.4596 17.0464 17.0464 18.4275 18.4275 18.7146 18.7146 18.8950 18.8950 k = 0.4900 0.2829 0.4696 ( 1804 PWs) bands (ev): -51.3770 -51.3770 -24.5032 -24.5032 -16.4661 -16.4661 -15.8164 -15.8164 -4.8472 -4.8472 1.5040 1.5040 5.9272 5.9272 6.8843 6.8843 8.2772 8.2772 10.5506 10.5506 12.1536 12.1536 12.3531 12.3531 16.2099 16.2099 16.4556 16.4556 17.0421 17.0421 18.4229 18.4229 18.7057 18.7057 18.8929 18.8929 k = 0.5000 0.2887 0.4696 ( 1800 PWs) bands (ev): -51.3770 -51.3770 -24.5032 -24.5032 -16.4661 -16.4661 -15.8166 -15.8166 -4.8469 -4.8469 1.5048 1.5048 5.9268 5.9268 6.8848 6.8848 8.2786 8.2786 10.5515 10.5515 12.1565 12.1565 12.3522 12.3522 16.2075 16.2075 16.4543 16.4543 17.0406 17.0406 18.4214 18.4214 18.7028 18.7028 18.8921 18.8921 k = 0.5000 0.2887 0.4696 ( 1800 PWs) bands (ev): -51.3770 -51.3770 -24.5032 -24.5032 -16.4661 -16.4661 -15.8166 -15.8166 -4.8469 -4.8469 1.5048 1.5048 5.9268 5.9268 6.8848 6.8848 8.2786 8.2786 10.5515 10.5515 12.1565 12.1565 12.3522 12.3522 16.2075 16.2075 16.4543 16.4543 17.0406 17.0406 18.4214 18.4214 18.7028 18.7028 18.8921 18.8921 k = 0.4943 0.2986 0.4696 ( 1800 PWs) bands (ev): -51.3770 -51.3770 -24.5037 -24.5027 -16.4668 -16.4654 -15.8195 -15.8138 -4.8476 -4.8460 1.4978 1.5128 5.9264 5.9267 6.8848 6.8870 8.2756 8.2804 10.5477 10.5543 12.1388 12.1766 12.3502 12.3519 16.1923 16.2190 16.4532 16.4553 17.0288 17.0429 18.4267 18.4287 18.7021 18.7080 18.8818 18.8990 k = 0.4885 0.3086 0.4696 ( 1802 PWs) bands (ev): -51.3770 -51.3770 -24.5042 -24.5023 -16.4675 -16.4647 -15.8225 -15.8111 -4.8480 -4.8449 1.4917 1.5217 5.9254 5.9261 6.8871 6.8915 8.2714 8.2811 10.5429 10.5559 12.1236 12.1988 12.3459 12.3495 16.1738 16.2266 16.4522 16.4559 17.0080 17.0357 18.4445 18.4472 18.7058 18.7179 18.8686 18.9028 k = 0.4828 0.3185 0.4696 ( 1798 PWs) bands (ev): -51.3770 -51.3770 -24.5047 -24.5018 -16.4681 -16.4639 -15.8256 -15.8086 -4.8483 -4.8435 1.4865 1.5314 5.9240 5.9250 6.8916 6.8981 8.2661 8.2806 10.5374 10.5565 12.1109 12.2229 12.3395 12.3450 16.1525 16.2301 16.4515 16.4559 16.9796 17.0198 18.4729 18.4743 18.7134 18.7322 18.8546 18.9050 k = 0.4770 0.3285 0.4696 ( 1798 PWs) bands (ev): -51.3770 -51.3770 -24.5052 -24.5014 -16.4688 -16.4632 -15.8288 -15.8062 -4.8483 -4.8420 1.4823 1.5419 5.9221 5.9234 6.8983 6.9070 8.2597 8.2788 10.5313 10.5558 12.1008 12.2484 12.3309 12.3387 16.1286 16.2296 16.4510 16.4553 16.9452 16.9969 18.5055 18.5078 18.7237 18.7507 18.8439 18.9084 k = 0.4713 0.3384 0.4696 ( 1798 PWs) bands (ev): -51.3770 -51.3770 -24.5058 -24.5010 -16.4694 -16.4624 -15.8321 -15.8040 -4.8481 -4.8402 1.4790 1.5532 5.9197 5.9213 6.9072 6.9181 8.2521 8.2759 10.5247 10.5540 12.0934 12.2741 12.3202 12.3316 16.1026 16.2251 16.4508 16.4539 16.9065 16.9685 18.5354 18.5422 18.7352 18.7725 18.8436 18.9176 k = 0.4655 0.3484 0.4696 ( 1798 PWs) bands (ev): -51.3770 -51.3770 -24.5063 -24.5006 -16.4700 -16.4616 -15.8355 -15.8019 -4.8476 -4.8383 1.4766 1.5652 5.9169 5.9187 6.9183 6.9313 8.2434 8.2717 10.5178 10.5511 12.0885 12.2948 12.3076 12.3289 16.0747 16.2170 16.4505 16.4517 16.8652 16.9364 18.5578 18.5654 18.7495 18.7966 18.8616 18.9383 k = 0.4598 0.3584 0.4696 ( 1802 PWs) bands (ev): -51.3770 -51.3770 -24.5068 -24.5003 -16.4705 -16.4609 -15.8389 -15.8000 -4.8470 -4.8362 1.4751 1.5779 5.9137 5.9157 6.9315 6.9466 8.2334 8.2662 10.5107 10.5472 12.0860 12.2932 12.2954 12.3455 16.0454 16.2059 16.4488 16.4500 16.8226 16.9023 18.5678 18.5678 18.7716 18.8227 18.9004 18.9740 k = 0.4540 0.3683 0.4696 ( 1806 PWs) bands (ev): -51.3769 -51.3769 -24.5074 -24.4999 -16.4710 -16.4601 -15.8424 -15.7983 -4.8462 -4.8340 1.4744 1.5911 5.9101 5.9123 6.9469 6.9641 8.2223 8.2594 10.5037 10.5424 12.0858 12.2772 12.2836 12.3734 16.0148 16.1921 16.4451 16.4490 16.7799 16.8674 18.5506 18.5640 18.8020 18.8513 18.9574 19.0239 k = 0.4483 0.3783 0.4696 ( 1810 PWs) bands (ev): -51.3769 -51.3769 -24.5079 -24.4996 -16.4715 -16.4593 -15.8458 -15.7967 -4.8452 -4.8316 1.4745 1.6048 5.9061 5.9085 6.9643 6.9835 8.2100 8.2512 10.4969 10.5368 12.0876 12.2596 12.2682 12.4038 15.9833 16.1761 16.4408 16.4472 16.7378 16.8330 18.5208 18.5483 18.8369 18.8831 19.0273 19.0840 k = 0.4425 0.3882 0.4696 ( 1810 PWs) bands (ev): -51.3769 -51.3769 -24.5085 -24.4993 -16.4720 -16.4586 -15.8493 -15.7952 -4.8441 -4.8290 1.4754 1.6188 5.9018 5.9043 6.9837 7.0050 8.1965 8.2416 10.4903 10.5307 12.0913 12.2409 12.2509 12.4351 15.9513 16.1585 16.4360 16.4445 16.6973 16.7998 18.4840 18.5239 18.8746 18.9179 19.1053 19.1499 k = 0.4368 0.3982 0.4696 ( 1814 PWs) bands (ev): -51.3769 -51.3769 -24.5090 -24.4990 -16.4725 -16.4578 -15.8527 -15.7939 -4.8428 -4.8264 1.4769 1.6332 5.8972 5.8999 7.0051 7.0283 8.1817 8.2307 10.4842 10.5242 12.0965 12.2213 12.2321 12.4667 15.9189 16.1397 16.4307 16.4408 16.6586 16.7686 18.4431 18.4934 18.9142 18.9552 19.1874 19.2179 k = 0.4310 0.4081 0.4696 ( 1806 PWs) bands (ev): -51.3769 -51.3769 -24.5095 -24.4988 -16.4729 -16.4571 -15.8561 -15.7927 -4.8414 -4.8237 1.4791 1.6477 5.8924 5.8951 7.0284 7.0535 8.1657 8.2183 10.4786 10.5175 12.1028 12.2012 12.2122 12.4981 15.8865 16.1199 16.4251 16.4361 16.6224 16.7398 18.4000 18.4590 18.9557 18.9944 19.2705 19.2850 k = 0.4253 0.4181 0.4696 ( 1806 PWs) bands (ev): -51.3769 -51.3769 -24.5100 -24.4985 -16.4732 -16.4564 -15.8594 -15.7917 -4.8399 -4.8210 1.4819 1.6624 5.8874 5.8902 7.0535 7.0804 8.1484 8.2045 10.4735 10.5107 12.1093 12.1814 12.1916 12.5291 15.8542 16.0997 16.4194 16.4304 16.5888 16.7136 18.3558 18.4221 18.9986 19.0348 19.3491 19.3522 k = 0.4195 0.4280 0.4696 ( 1802 PWs) bands (ev): -51.3768 -51.3768 -24.5105 -24.4983 -16.4736 -16.4557 -15.8627 -15.7908 -4.8382 -4.8182 1.4851 1.6770 5.8823 5.8851 7.0803 7.1089 8.1299 8.1892 10.4692 10.5040 12.1141 12.1639 12.1703 12.5594 15.8224 16.0792 16.4135 16.4239 16.5579 16.6901 18.3112 18.3838 19.0428 19.0762 19.4083 19.4304 k = 0.4138 0.4380 0.4696 ( 1802 PWs) bands (ev): -51.3768 -51.3768 -24.5110 -24.4982 -16.4740 -16.4550 -15.8658 -15.7901 -4.8366 -4.8155 1.4888 1.6914 5.8772 5.8799 7.1086 7.1390 8.1102 8.1725 10.4655 10.4975 12.1117 12.1488 12.1542 12.5889 15.7912 16.0587 16.4076 16.4166 16.5298 16.6695 18.2668 18.3450 19.0879 19.1179 19.4617 19.5031 k = 0.4080 0.4479 0.4696 ( 1802 PWs) bands (ev): -51.3768 -51.3768 -24.5114 -24.4980 -16.4743 -16.4544 -15.8689 -15.7894 -4.8349 -4.8127 1.4927 1.7056 5.8720 5.8746 7.1384 7.1703 8.0893 8.1544 10.4626 10.4914 12.0983 12.1272 12.1560 12.6173 15.7609 16.0386 16.4017 16.4090 16.5047 16.6514 18.2231 18.3064 19.1336 19.1596 19.5087 19.5688 k = 0.4023 0.4579 0.4696 ( 1802 PWs) bands (ev): -51.3768 -51.3768 -24.5119 -24.4978 -16.4746 -16.4538 -15.8718 -15.7889 -4.8331 -4.8100 1.4969 1.7194 5.8668 5.8694 7.1695 7.2029 8.0673 8.1350 10.4603 10.4857 12.0797 12.1059 12.1637 12.6444 15.7318 16.0190 16.3960 16.4011 16.4823 16.6359 18.1806 18.2684 19.1794 19.2008 19.5493 19.6264 k = 0.3966 0.4679 0.4696 ( 1802 PWs) bands (ev): -51.3767 -51.3767 -24.5123 -24.4977 -16.4748 -16.4532 -15.8745 -15.7885 -4.8314 -4.8074 1.5013 1.7327 5.8618 5.8642 7.2017 7.2364 8.0441 8.1143 10.4588 10.4806 12.0599 12.0851 12.1733 12.6701 15.7039 16.0002 16.3905 16.3933 16.4626 16.6225 18.1397 18.2316 19.2250 19.2411 19.5836 19.6757 k = 0.3908 0.4778 0.4696 ( 1802 PWs) bands (ev): -51.3767 -51.3767 -24.5127 -24.4976 -16.4751 -16.4527 -15.8771 -15.7882 -4.8297 -4.8049 1.5057 1.7453 5.8569 5.8592 7.2347 7.2706 8.0200 8.0924 10.4579 10.4761 12.0401 12.0650 12.1836 12.6943 15.6777 15.9824 16.3853 16.3857 16.4455 16.6111 18.1007 18.1964 19.2698 19.2799 19.6123 19.7166 k = 0.3851 0.4878 0.4696 ( 1804 PWs) bands (ev): -51.3767 -51.3767 -24.5130 -24.4975 -16.4753 -16.4523 -15.8795 -15.7879 -4.8280 -4.8024 1.5101 1.7573 5.8522 5.8543 7.2684 7.3053 7.9951 8.0696 10.4576 10.4723 12.0211 12.0459 12.1939 12.7167 15.6531 15.9657 16.3784 16.3803 16.4309 16.6015 18.0641 18.1631 19.3133 19.3169 19.6359 19.7498 k = 0.3793 0.4977 0.4696 ( 1802 PWs) bands (ev): -51.3767 -51.3767 -24.5133 -24.4975 -16.4755 -16.4518 -15.8817 -15.7878 -4.8265 -4.8002 1.5143 1.7683 5.8478 5.8498 7.3024 7.3401 7.9695 8.0460 10.4578 10.4691 12.0032 12.0281 12.2039 12.7372 15.6304 15.9503 16.3717 16.3757 16.4185 16.5934 18.0301 18.1323 19.3515 19.3551 19.6549 19.7763 k = 0.3736 0.5077 0.4696 ( 1806 PWs) bands (ev): -51.3767 -51.3767 -24.5136 -24.4974 -16.4757 -16.4515 -15.8837 -15.7877 -4.8250 -4.7981 1.5184 1.7784 5.8438 5.8456 7.3362 7.3745 7.9436 8.0219 10.4585 10.4665 11.9867 12.0117 12.2134 12.7558 15.6099 15.9364 16.3655 16.3715 16.4083 16.5866 17.9991 18.1041 19.3832 19.3943 19.6701 19.7970 k = 0.3678 0.5176 0.4696 ( 1806 PWs) bands (ev): -51.3767 -51.3767 -24.5139 -24.4974 -16.4758 -16.4511 -15.8855 -15.7876 -4.8237 -4.7963 1.5221 1.7874 5.8401 5.8418 7.3695 7.4079 7.9177 7.9979 10.4594 10.4645 11.9718 11.9969 12.2221 12.7723 15.5916 15.9241 16.3599 16.3676 16.3999 16.5811 17.9715 18.0790 19.4115 19.4303 19.6819 19.8129 k = 0.3621 0.5276 0.4696 ( 1806 PWs) bands (ev): -51.3766 -51.3766 -24.5141 -24.4973 -16.4759 -16.4509 -15.8870 -15.7876 -4.8225 -4.7946 1.5255 1.7953 5.8369 5.8384 7.4014 7.4397 7.8924 7.9745 10.4605 10.4631 11.9588 11.9840 12.2299 12.7866 15.5758 15.9135 16.3549 16.3641 16.3932 16.5766 17.9474 18.0571 19.4361 19.4624 19.6908 19.8247 k = 0.3563 0.5375 0.4696 ( 1806 PWs) bands (ev): -51.3766 -51.3766 -24.5143 -24.4973 -16.4760 -16.4506 -15.8883 -15.7876 -4.8214 -4.7932 1.5285 1.8019 5.8342 5.8356 7.4310 7.4688 7.8684 7.9524 10.4618 10.4621 11.9479 11.9731 12.2367 12.7985 15.5625 15.9048 16.3506 16.3611 16.3881 16.5731 17.9273 18.0388 19.4566 19.4898 19.6973 19.8333 k = 0.3506 0.5475 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5145 -24.4973 -16.4761 -16.4505 -15.8893 -15.7876 -4.8206 -4.7921 1.5309 1.8071 5.8320 5.8333 7.4571 7.4941 7.8471 7.9329 10.4615 10.4629 11.9392 11.9644 12.2422 12.8081 15.5520 15.8979 16.3471 16.3586 16.3844 16.5705 17.9113 18.0243 19.4726 19.5117 19.7018 19.8391 k = 0.3448 0.5574 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5146 -24.4973 -16.4762 -16.4503 -15.8900 -15.7877 -4.8200 -4.7913 1.5327 1.8109 5.8304 5.8316 7.4779 7.5140 7.8297 7.9173 10.4613 10.4639 11.9328 11.9581 12.2463 12.8151 15.5444 15.8930 16.3444 16.3567 16.3818 16.5687 17.8996 18.0137 19.4840 19.5277 19.7046 19.8427 k = 0.3391 0.5674 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5146 -24.4973 -16.4762 -16.4503 -15.8904 -15.7877 -4.8196 -4.7908 1.5338 1.8132 5.8295 5.8306 7.4916 7.5268 7.8182 7.9072 10.4612 10.4646 11.9289 11.9542 12.2489 12.8194 15.5397 15.8901 16.3427 16.3555 16.3804 16.5676 17.8926 18.0073 19.4907 19.5373 19.7060 19.8446 k = 0.3333 0.5774 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5147 -24.4973 -16.4762 -16.4502 -15.8906 -15.7877 -4.8194 -4.7906 1.5342 1.8140 5.8291 5.8303 7.4964 7.5312 7.8142 7.9036 10.4612 10.4649 11.9276 11.9529 12.2498 12.8208 15.5381 15.8891 16.3421 16.3550 16.3799 16.5672 17.8902 18.0051 19.4929 19.5404 19.7064 19.8452 k = 0.3333 0.5774 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5147 -24.4973 -16.4762 -16.4502 -15.8906 -15.7877 -4.8194 -4.7906 1.5342 1.8140 5.8291 5.8303 7.4964 7.5312 7.8142 7.9036 10.4612 10.4649 11.9276 11.9529 12.2498 12.8208 15.5381 15.8891 16.3421 16.3550 16.3799 16.5672 17.8902 18.0051 19.4929 19.5404 19.7064 19.8452 k = 0.3276 0.5674 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5146 -24.4973 -16.4762 -16.4503 -15.8904 -15.7877 -4.8196 -4.7908 1.5338 1.8132 5.8295 5.8306 7.4916 7.5268 7.8182 7.9071 10.4611 10.4646 11.9289 11.9542 12.2489 12.8193 15.5397 15.8901 16.3428 16.3555 16.3804 16.5676 17.8926 18.0073 19.4908 19.5374 19.7061 19.8447 k = 0.3218 0.5574 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5146 -24.4973 -16.4762 -16.4503 -15.8900 -15.7876 -4.8200 -4.7913 1.5325 1.8108 5.8305 5.8317 7.4782 7.5141 7.8291 7.9168 10.4610 10.4636 11.9329 11.9583 12.2459 12.8146 15.5446 15.8929 16.3450 16.3570 16.3818 16.5688 17.8998 18.0139 19.4850 19.5290 19.7053 19.8436 k = 0.3161 0.5475 0.4696 ( 1798 PWs) bands (ev): -51.3766 -51.3766 -24.5145 -24.4973 -16.4761 -16.4504 -15.8892 -15.7875 -4.8207 -4.7923 1.5304 1.8068 5.8322 5.8335 7.4578 7.4945 7.8451 7.9313 10.4606 10.4620 11.9397 11.9650 12.2407 12.8066 15.5529 15.8977 16.3490 16.3597 16.3842 16.5710 17.9118 18.0248 19.4759 19.5160 19.7044 19.8421 k = 0.3103 0.5375 0.4696 ( 1806 PWs) bands (ev): -51.3766 -51.3766 -24.5143 -24.4973 -16.4760 -16.4506 -15.8882 -15.7874 -4.8218 -4.7936 1.5273 1.8011 5.8347 5.8360 7.4324 7.4697 7.8642 7.9489 10.4595 10.4599 11.9491 11.9745 12.2332 12.7951 15.5647 15.9041 16.3551 16.3637 16.3879 16.5743 17.9284 18.0400 19.4643 19.4996 19.7034 19.8405 k = 0.3046 0.5276 0.4696 ( 1800 PWs) bands (ev): -51.3766 -51.3766 -24.5141 -24.4972 -16.4759 -16.4508 -15.8868 -15.7872 -4.8232 -4.7953 1.5234 1.7937 5.8378 5.8393 7.4036 7.4410 7.8846 7.9679 10.4561 10.4588 11.9612 11.9866 12.2232 12.7799 15.5800 15.9123 16.3634 16.3690 16.3929 16.5790 17.9497 18.0595 19.4508 19.4808 19.7027 19.8391 k = 0.2989 0.5176 0.4696 ( 1804 PWs) bands (ev): -51.3767 -51.3767 -24.5138 -24.4972 -16.4758 -16.4510 -15.8852 -15.7869 -4.8249 -4.7974 1.5184 1.7847 5.8417 5.8433 7.3725 7.4096 7.9051 7.9872 10.4518 10.4572 11.9759 12.0014 12.2106 12.7609 15.5989 15.9220 16.3743 16.3759 16.3995 16.5853 17.9753 18.0831 19.4363 19.4606 19.7025 19.8380 k = 0.2931 0.5077 0.4696 ( 1804 PWs) bands (ev): -51.3767 -51.3767 -24.5135 -24.4972 -16.4756 -16.4512 -15.8832 -15.7865 -4.8270 -4.8000 1.5124 1.7741 5.8462 5.8480 7.3400 7.3765 7.9248 8.0059 10.4466 10.4551 11.9929 12.0187 12.1952 12.7378 15.6213 15.9333 16.3842 16.3879 16.4081 16.5937 18.0051 18.1106 19.4212 19.4401 19.7030 19.8376 k = 0.2874 0.4977 0.4696 ( 1804 PWs) bands (ev): -51.3767 -51.3767 -24.5132 -24.4971 -16.4754 -16.4515 -15.8810 -15.7860 -4.8295 -4.8030 1.5055 1.7619 5.8514 5.8534 7.3067 7.3422 7.9431 8.0231 10.4405 10.4525 12.0121 12.0383 12.1770 12.7106 15.6472 15.9460 16.3941 16.4043 16.4190 16.6043 18.0389 18.1419 19.4065 19.4201 19.7043 19.8378 k = 0.2816 0.4878 0.4696 ( 1812 PWs) bands (ev): -51.3768 -51.3768 -24.5128 -24.4971 -16.4752 -16.4518 -15.8785 -15.7855 -4.8323 -4.8064 1.4976 1.7482 5.8573 5.8594 7.2730 7.3073 7.9593 8.0384 10.4334 10.4492 12.0330 12.0601 12.1562 12.6792 15.6765 15.9601 16.4056 16.4236 16.4325 16.6177 18.0764 18.1768 19.3926 19.4012 19.7067 19.8390 k = 0.2759 0.4778 0.4696 ( 1808 PWs) bands (ev): -51.3768 -51.3768 -24.5124 -24.4970 -16.4749 -16.4521 -15.8757 -15.7848 -4.8356 -4.8102 1.4886 1.7329 5.8638 5.8660 7.2394 7.2722 7.9732 8.0514 10.4255 10.4454 12.0543 12.0839 12.1338 12.6436 15.7093 15.9757 16.4190 16.4457 16.4489 16.6342 18.1174 18.2149 19.3800 19.3841 19.7102 19.8413 k = 0.2701 0.4679 0.4696 ( 1808 PWs) bands (ev): -51.3768 -51.3768 -24.5119 -24.4969 -16.4746 -16.4524 -15.8726 -15.7840 -4.8392 -4.8145 1.4787 1.7162 5.8709 5.8732 7.2060 7.2372 7.9846 8.0618 10.4168 10.4410 12.0695 12.1093 12.1158 12.6037 15.7451 15.9926 16.4343 16.4683 16.4706 16.6542 18.1616 18.2562 19.3694 19.3694 19.7149 19.8447 k = 0.2644 0.4579 0.4696 ( 1804 PWs) bands (ev): -51.3769 -51.3769 -24.5114 -24.4968 -16.4743 -16.4527 -15.8692 -15.7831 -4.8431 -4.8192 1.4678 1.6981 5.8785 5.8810 7.1733 7.2026 7.9931 8.0694 10.4073 10.4360 12.0577 12.1229 12.1362 12.5597 15.7840 16.0110 16.4519 16.4909 16.4981 16.6780 18.2087 18.3002 19.3574 19.3610 19.7210 19.8492 k = 0.2586 0.4479 0.4696 ( 1800 PWs) bands (ev): -51.3769 -51.3769 -24.5108 -24.4967 -16.4740 -16.4530 -15.8656 -15.7821 -4.8475 -4.8244 1.4559 1.6787 5.8867 5.8893 7.1412 7.1687 7.9987 8.0739 10.3971 10.4305 12.0271 12.1465 12.1640 12.5116 15.8256 16.0308 16.4719 16.5166 16.5282 16.7058 18.2584 18.3468 19.3485 19.3554 19.7284 19.8548 k = 0.2529 0.4380 0.4696 ( 1804 PWs) bands (ev): -51.3770 -51.3770 -24.5102 -24.4966 -16.4736 -16.4533 -15.8618 -15.7809 -4.8523 -4.8299 1.4431 1.6580 5.8954 5.8980 7.1101 7.1356 8.0013 8.0754 10.3864 10.4245 11.9904 12.1738 12.1926 12.4595 15.8695 16.0522 16.4946 16.5456 16.5606 16.7377 18.3104 18.3957 19.3429 19.3527 19.7371 19.8611 k = 0.2471 0.4280 0.4696 ( 1802 PWs) bands (ev): -51.3770 -51.3770 -24.5095 -24.4964 -16.4732 -16.4536 -15.8577 -15.7797 -4.8574 -4.8359 1.4294 1.6362 5.9044 5.9071 7.0801 7.1036 8.0009 8.0738 10.3751 10.4180 11.9496 12.2022 12.2214 12.4038 15.9155 16.0751 16.5202 16.5779 16.5954 16.7735 18.3645 18.4466 19.3410 19.3533 19.7471 19.8669 k = 0.2414 0.4181 0.4696 ( 1802 PWs) bands (ev): -51.3771 -51.3771 -24.5089 -24.4962 -16.4728 -16.4540 -15.8534 -15.7783 -4.8630 -4.8423 1.4148 1.6132 5.9139 5.9166 7.0513 7.0727 7.9975 8.0691 10.3635 10.4112 11.9055 12.2308 12.2500 12.3447 15.9633 16.0995 16.5487 16.6135 16.6327 16.8130 18.4203 18.4992 19.3428 19.3574 19.7580 19.8688 k = 0.2356 0.4081 0.4696 ( 1802 PWs) bands (ev): -51.3772 -51.3772 -24.5082 -24.4960 -16.4723 -16.4543 -15.8488 -15.7767 -4.8689 -4.8491 1.3994 1.5893 5.9237 5.9265 7.0239 7.0432 7.9911 8.0614 10.3516 10.4041 11.8584 12.2590 12.2763 12.2841 16.0124 16.1255 16.5801 16.6524 16.6726 16.8558 18.4776 18.5531 19.3485 19.3650 19.7692 19.8557 k = 0.2299 0.3982 0.4696 ( 1798 PWs) bands (ev): -51.3772 -51.3772 -24.5074 -24.4958 -16.4719 -16.4546 -15.8441 -15.7751 -4.8751 -4.8562 1.3832 1.5643 5.9339 5.9365 6.9980 7.0151 7.9818 8.0506 10.3394 10.3966 11.8085 12.2169 12.2864 12.3054 16.0625 16.1531 16.6145 16.6945 16.7154 16.9013 18.5361 18.6081 19.3580 19.3762 19.7796 19.8144 k = 0.2241 0.3882 0.4696 ( 1794 PWs) bands (ev): -51.3773 -51.3773 -24.5066 -24.4956 -16.4714 -16.4549 -15.8392 -15.7733 -4.8817 -4.8637 1.3662 1.5386 5.9443 5.9469 6.9736 6.9886 7.9697 8.0370 10.3272 10.3890 11.7561 12.1492 12.3124 12.3310 16.1133 16.1821 16.6517 16.7399 16.7610 16.9491 18.5952 18.6637 19.3711 19.3910 19.7559 19.7866 k = 0.2184 0.3783 0.4696 ( 1794 PWs) bands (ev): -51.3774 -51.3774 -24.5058 -24.4953 -16.4709 -16.4552 -15.8341 -15.7713 -4.8887 -4.8716 1.3485 1.5120 5.9549 5.9574 6.9509 6.9638 7.9549 8.0207 10.3150 10.3813 11.7016 12.0793 12.3365 12.3547 16.1643 16.2124 16.6915 16.7885 16.8097 16.9984 18.6547 18.7197 19.3875 19.4091 19.6936 19.7853 k = 0.2126 0.3683 0.4696 ( 1794 PWs) bands (ev): -51.3775 -51.3775 -24.5050 -24.4950 -16.4703 -16.4554 -15.8289 -15.7693 -4.8960 -4.8798 1.3301 1.4848 5.9656 5.9681 6.9300 6.9408 7.9377 8.0018 10.3029 10.3734 11.6451 12.0076 12.3585 12.3761 16.2154 16.2441 16.7336 16.8402 16.8613 17.0490 18.7140 18.7753 19.4058 19.4300 19.6334 19.7695 k = 0.2069 0.3584 0.4696 ( 1798 PWs) bands (ev): -51.3776 -51.3776 -24.5041 -24.4947 -16.4698 -16.4557 -15.8235 -15.7671 -4.9036 -4.8884 1.3111 1.4570 5.9765 5.9788 6.9108 6.9196 7.9180 7.9805 10.2910 10.3655 11.5870 11.9343 12.3778 12.3949 16.2661 16.2770 16.7778 16.8949 16.9158 17.1002 18.7724 18.8302 19.4231 19.4528 19.5803 19.7394 k = 0.2011 0.3484 0.4696 ( 1798 PWs) bands (ev): -51.3776 -51.3776 -24.5033 -24.4944 -16.4692 -16.4559 -15.8180 -15.7647 -4.9115 -4.8972 1.2915 1.4287 5.9875 5.9897 6.8936 6.9003 7.8963 7.9569 10.2794 10.3577 11.5275 11.8600 12.3941 12.4106 16.3109 16.3164 16.8237 16.9525 16.9730 17.1519 18.8289 18.8834 19.4302 19.4755 19.5449 19.7042 k = 0.1954 0.3384 0.4696 ( 1798 PWs) bands (ev): -51.3777 -51.3777 -24.5024 -24.4940 -16.4687 -16.4562 -15.8124 -15.7623 -4.9197 -4.9063 1.2714 1.4000 5.9986 6.0005 6.8782 6.8830 7.8725 7.9314 10.2680 10.3499 11.4670 11.7848 12.4071 12.4231 16.3457 16.3661 16.8707 17.0129 17.0323 17.2037 18.8820 18.9339 19.4145 19.4946 19.5415 19.6747 k = 0.1897 0.3285 0.4696 ( 1798 PWs) bands (ev): -51.3778 -51.3778 -24.5015 -24.4937 -16.4681 -16.4564 -15.8067 -15.7597 -4.9282 -4.9156 1.2509 1.3709 6.0096 6.0114 6.8648 6.8677 7.8470 7.9040 10.2571 10.3422 11.4058 11.7091 12.4166 12.4319 16.3813 16.4149 16.9185 17.0759 17.0931 17.2559 18.9293 18.9804 19.3867 19.5046 19.5614 19.6609 k = 0.1839 0.3185 0.4696 ( 1800 PWs) bands (ev): -51.3779 -51.3779 -24.5006 -24.4933 -16.4675 -16.4566 -15.8009 -15.7570 -4.9369 -4.9252 1.2299 1.3416 6.0207 6.0223 6.8534 6.8545 7.8198 7.8750 10.2466 10.3347 11.3440 11.6333 12.4222 12.4369 16.4176 16.4628 16.9666 17.1411 17.1545 17.3085 18.9675 19.0209 19.3643 19.5037 19.5901 19.6675 k = 0.1782 0.3086 0.4696 ( 1804 PWs) bands (ev): -51.3781 -51.3781 -24.4996 -24.4929 -16.4669 -16.4568 -15.7950 -15.7542 -4.9458 -4.9350 1.2086 1.3121 6.0316 6.0331 6.8433 6.8440 7.7913 7.8445 10.2366 10.3273 11.2821 11.5577 12.4239 12.4379 16.4545 16.5097 17.0147 17.2083 17.2154 17.3621 18.9926 19.0533 19.3571 19.4998 19.6213 19.6889 k = 0.1724 0.2986 0.4696 ( 1800 PWs) bands (ev): -51.3781 -51.3781 -24.4987 -24.4924 -16.4664 -16.4569 -15.7892 -15.7513 -4.9549 -4.9449 1.1869 1.2826 6.0425 6.0438 6.8342 6.8366 7.7615 7.8129 10.2271 10.3201 11.2203 11.4824 12.4214 12.4347 16.4918 16.5556 17.0625 17.2743 17.2769 17.4173 19.0026 19.0759 19.3688 19.5021 19.6523 19.7174 k = 0.1667 0.2887 0.4696 ( 1796 PWs) bands (ev): -51.3782 -51.3782 -24.4978 -24.4920 -16.4658 -16.4571 -15.7832 -15.7483 -4.9641 -4.9549 1.1651 1.2530 6.0533 6.0544 6.8272 6.8312 7.7308 7.7802 10.2182 10.3131 11.1587 11.4079 12.4149 12.4275 16.5295 16.6004 17.1098 17.3301 17.3464 17.4747 19.0004 19.0885 19.3982 19.5151 19.6811 19.7481 k = 0.1609 0.2787 0.4696 ( 1800 PWs) bands (ev): -51.3784 -51.3784 -24.4968 -24.4915 -16.4652 -16.4572 -15.7773 -15.7452 -4.9735 -4.9651 1.1431 1.2236 6.0640 6.0649 6.8223 6.8277 7.6993 7.7468 10.2099 10.3063 11.0978 11.3343 12.4041 12.4160 16.5676 16.6441 17.1565 17.3818 17.4161 17.5343 18.9913 19.0930 19.4403 19.5388 19.7061 19.7780 k = 0.1552 0.2688 0.4696 ( 1800 PWs) bands (ev): -51.3785 -51.3785 -24.4959 -24.4911 -16.4647 -16.4573 -15.7714 -15.7421 -4.9830 -4.9753 1.1209 1.1943 6.0744 6.0752 6.8195 6.8262 7.6672 7.7127 10.2021 10.2997 11.0376 11.2618 12.3892 12.4004 16.6058 16.6869 17.2024 17.4294 17.4854 17.5954 18.9807 19.0928 19.4907 19.5703 19.7256 19.8056 k = 0.1494 0.2588 0.4696 ( 1800 PWs) bands (ev): -51.3786 -51.3786 -24.4950 -24.4906 -16.4641 -16.4574 -15.7656 -15.7388 -4.9925 -4.9856 1.0987 1.1654 6.0847 6.0853 6.8186 6.8267 7.6347 7.6783 10.1949 10.2933 10.9784 11.1907 12.3703 12.3808 16.6444 16.7287 17.2474 17.4732 17.5536 17.6569 18.9721 19.0910 19.5464 19.6061 19.7383 19.8302 k = 0.1437 0.2489 0.4696 ( 1800 PWs) bands (ev): -51.3787 -51.3787 -24.4941 -24.4901 -16.4636 -16.4575 -15.7597 -15.7355 -5.0021 -4.9959 1.0766 1.1367 6.0948 6.0953 6.8197 6.8290 7.6019 7.6436 10.1884 10.2870 10.9205 11.1212 12.3475 12.3572 16.6831 16.7696 17.2917 17.5139 17.6199 17.7174 18.9676 19.0903 19.6057 19.6416 19.7431 19.8525 k = 0.1379 0.2389 0.4696 ( 1796 PWs) bands (ev): -51.3788 -51.3788 -24.4932 -24.4896 -16.4631 -16.4576 -15.7540 -15.7321 -5.0117 -5.0061 1.0545 1.1085 6.1047 6.1051 6.8227 6.8331 7.5691 7.6089 10.1824 10.2809 10.8639 11.0534 12.3209 12.3300 16.7222 16.8098 17.3351 17.5520 17.6839 17.7759 18.9684 19.0924 19.6676 19.6715 19.7393 19.8752 k = 0.1322 0.2289 0.4696 ( 1800 PWs) bands (ev): -51.3789 -51.3789 -24.4923 -24.4891 -16.4626 -16.4577 -15.7483 -15.7288 -5.0213 -5.0163 1.0326 1.0808 6.1144 6.1146 6.8276 6.8388 7.5364 7.5743 10.1769 10.2750 10.8089 10.9876 12.2909 12.2993 16.7615 16.8494 17.3776 17.5879 17.7451 17.8315 18.9750 19.0980 19.6895 19.7228 19.7350 19.9025 k = 0.1264 0.2190 0.4696 ( 1794 PWs) bands (ev): -51.3790 -51.3790 -24.4915 -24.4886 -16.4621 -16.4578 -15.7427 -15.7253 -5.0307 -5.0263 1.0109 1.0537 6.1238 6.1239 6.8341 6.8463 7.5040 7.5400 10.1720 10.2691 10.7557 10.9238 12.2577 12.2654 16.8013 16.8885 17.4193 17.6220 17.8032 17.8837 18.9870 19.1075 19.6911 19.7028 19.7988 19.9380 k = 0.1207 0.2090 0.4696 ( 1798 PWs) bands (ev): -51.3791 -51.3791 -24.4906 -24.4881 -16.4616 -16.4578 -15.7373 -15.7219 -5.0402 -5.0363 0.9895 1.0272 6.1329 6.1329 6.8424 6.8552 7.4720 7.5061 10.1676 10.2634 10.7043 10.8621 12.2216 12.2286 16.8414 16.9274 17.4601 17.6544 17.8581 17.9324 19.0040 19.1207 19.6714 19.6757 19.8667 19.9811 k = 0.1149 0.1991 0.4696 ( 1794 PWs) bands (ev): -51.3792 -51.3792 -24.4898 -24.4876 -16.4612 -16.4579 -15.7320 -15.7185 -5.0494 -5.0460 0.9685 1.0014 6.1417 6.1417 6.8521 6.8655 7.4407 7.4729 10.1637 10.2577 10.6549 10.8028 12.1830 12.1893 16.8822 16.9661 17.5001 17.6853 17.9101 17.9777 19.0247 19.1369 19.6316 19.6456 19.9362 20.0287 k = 0.1092 0.1891 0.4696 ( 1792 PWs) bands (ev): -51.3793 -51.3793 -24.4890 -24.4871 -16.4608 -16.4579 -15.7268 -15.7151 -5.0585 -5.0556 0.9479 0.9764 6.1502 6.1502 6.8632 6.8771 7.4100 7.4404 10.1603 10.2520 10.6077 10.7459 12.1422 12.1479 16.9235 17.0050 17.5391 17.7150 17.9594 18.0203 19.0479 19.1553 19.5845 19.6035 20.0063 20.0762 k = 0.1034 0.1792 0.4696 ( 1796 PWs) bands (ev): -51.3794 -51.3794 -24.4882 -24.4866 -16.4604 -16.4579 -15.7218 -15.7117 -5.0674 -5.0649 0.9278 0.9524 6.1584 6.1584 6.8756 6.8898 7.3802 7.4088 10.1573 10.2464 10.5627 10.6915 12.0996 12.1047 16.9657 17.0440 17.5772 17.7433 18.0065 18.0605 19.0718 19.1747 19.5314 19.5519 20.0746 20.1174 k = 0.0977 0.1692 0.4696 ( 1788 PWs) bands (ev): -51.3794 -51.3794 -24.4875 -24.4861 -16.4601 -16.4579 -15.7170 -15.7084 -5.0761 -5.0739 0.9083 0.9292 6.1662 6.1663 6.8890 6.9035 7.3514 7.3782 10.1548 10.2407 10.5202 10.6397 12.0558 12.0602 17.0087 17.0836 17.6142 17.7704 18.0518 18.0992 19.0944 19.1938 19.4743 19.4932 20.1341 20.1432 k = 0.0920 0.1593 0.4696 ( 1792 PWs) bands (ev): -51.3795 -51.3795 -24.4868 -24.4856 -16.4598 -16.4579 -15.7124 -15.7052 -5.0844 -5.0826 0.8895 0.9070 6.1737 6.1738 6.9034 6.9179 7.3237 7.3488 10.1526 10.2349 10.4801 10.5906 12.0110 12.0149 17.0526 17.1238 17.6501 17.7963 18.0959 18.1370 19.1125 19.2102 19.4160 19.4303 20.1454 20.1665 k = 0.0862 0.1493 0.4696 ( 1804 PWs) bands (ev): -51.3796 -51.3796 -24.4862 -24.4852 -16.4595 -16.4580 -15.7081 -15.7020 -5.0925 -5.0910 0.8713 0.8859 6.1809 6.1810 6.9185 6.9329 7.2972 7.3206 10.1507 10.2289 10.4427 10.5441 11.9658 11.9691 17.0977 17.1647 17.6850 17.8210 18.1392 18.1744 19.1211 19.2187 19.3620 19.3691 20.1240 20.1556 k = 0.0805 0.1394 0.4696 ( 1804 PWs) bands (ev): -51.3797 -51.3797 -24.4855 -24.4847 -16.4592 -16.4580 -15.7039 -15.6989 -5.1003 -5.0990 0.8539 0.8659 6.1877 6.1878 6.9341 6.9484 7.2721 7.2937 10.1492 10.2227 10.4080 10.5005 11.9206 11.9234 17.1439 17.2066 17.7186 17.8444 18.1823 18.2121 19.1113 19.2040 19.3213 19.3257 20.0856 20.1160 k = 0.0747 0.1294 0.4696 ( 1804 PWs) bands (ev): -51.3798 -51.3798 -24.4849 -24.4843 -16.4590 -16.4580 -15.7000 -15.6960 -5.1076 -5.1066 0.8374 0.8471 6.1941 6.1942 6.9501 6.9640 7.2484 7.2683 10.1480 10.2163 10.3762 10.4597 11.8759 11.8783 17.1914 17.2495 17.7510 17.8665 18.2254 18.2503 19.0756 19.1521 19.3017 19.3145 20.0366 20.0635 k = 0.0690 0.1195 0.4696 ( 1804 PWs) bands (ev): -51.3799 -51.3799 -24.4844 -24.4839 -16.4587 -16.4579 -15.6964 -15.6932 -5.1145 -5.1138 0.8218 0.8294 6.2001 6.2002 6.9661 6.9795 7.2263 7.2445 10.1469 10.2094 10.3474 10.4219 11.8321 11.8341 17.2402 17.2935 17.7822 17.8874 18.2689 18.2894 19.0184 19.0795 19.2994 19.3195 19.9816 20.0052 k = 0.0632 0.1095 0.4696 ( 1804 PWs) bands (ev): -51.3799 -51.3799 -24.4839 -24.4835 -16.4585 -16.4579 -15.6930 -15.6905 -5.1211 -5.1205 0.8072 0.8131 6.2057 6.2058 6.9820 6.9947 7.2057 7.2223 10.1461 10.2020 10.3217 10.3870 11.7898 11.7914 17.2903 17.3387 17.8120 17.9069 18.3128 18.3294 18.9492 18.9995 19.3052 19.3281 19.9233 19.9442 k = 0.0575 0.0995 0.4696 ( 1804 PWs) bands (ev): -51.3800 -51.3800 -24.4834 -24.4831 -16.4584 -16.4579 -15.6899 -15.6880 -5.1271 -5.1267 0.7935 0.7980 6.2109 6.2110 6.9975 7.0095 7.1870 7.2018 10.1453 10.1941 10.2994 10.3552 11.7494 11.7506 17.3416 17.3849 17.8406 17.9252 18.3572 18.3703 18.8743 18.9165 19.3133 19.3362 19.8637 19.8822 k = 0.0517 0.0896 0.4696 ( 1808 PWs) bands (ev): -51.3801 -51.3801 -24.4830 -24.4828 -16.4582 -16.4579 -15.6870 -15.6857 -5.1327 -5.1323 0.7810 0.7843 6.2156 6.2157 7.0123 7.0233 7.1700 7.1832 10.1446 10.1856 10.2803 10.3264 11.7112 11.7121 17.3941 17.4321 17.8680 17.9422 18.4021 18.4120 18.7968 18.8323 19.3211 19.3424 19.8044 19.8207 k = 0.0460 0.0796 0.4696 ( 1808 PWs) bands (ev): -51.3801 -51.3801 -24.4826 -24.4825 -16.4581 -16.4579 -15.6845 -15.6835 -5.1377 -5.1375 0.7696 0.7720 6.2199 6.2199 7.0262 7.0361 7.1551 7.1666 10.1438 10.1767 10.2644 10.3009 11.6758 11.6764 17.4474 17.4801 17.8943 17.9581 18.4472 18.4541 18.7186 18.7481 19.3271 19.3460 19.7470 19.7610 k = 0.0402 0.0697 0.4696 ( 1812 PWs) bands (ev): -51.3802 -51.3802 -24.4823 -24.4822 -16.4580 -16.4578 -15.6822 -15.6816 -5.1422 -5.1421 0.7595 0.7610 6.2237 6.2237 7.0388 7.0474 7.1423 7.1520 10.1429 10.1677 10.2515 10.2786 11.6435 11.6439 17.5012 17.5284 17.9199 17.9732 18.4919 18.4955 18.6414 18.6646 19.3302 19.3461 19.6930 19.7047 k = 0.0345 0.0597 0.4696 ( 1816 PWs) bands (ev): -51.3802 -51.3802 -24.4820 -24.4819 -16.4579 -16.4578 -15.6803 -15.6799 -5.1462 -5.1461 0.7505 0.7515 6.2270 6.2270 7.0499 7.0570 7.1319 7.1397 10.1418 10.1590 10.2410 10.2597 11.6147 11.6150 17.5548 17.5764 17.9451 17.9879 18.5283 18.5342 18.5734 18.5841 19.3296 19.3421 19.6442 19.6534 k = 0.0287 0.0498 0.4696 ( 1820 PWs) bands (ev): -51.3803 -51.3803 -24.4818 -24.4817 -16.4578 -16.4578 -15.6786 -15.6784 -5.1496 -5.1495 0.7429 0.7434 6.2298 6.2298 7.0590 7.0643 7.1241 7.1298 10.1403 10.1510 10.2327 10.2443 11.5897 11.5899 17.6071 17.6230 17.9707 18.0031 18.4811 18.4992 18.5811 18.5858 19.3244 19.3333 19.6025 19.6090 k = 0.0230 0.0398 0.4696 ( 1824 PWs) bands (ev): -51.3803 -51.3803 -24.4816 -24.4815 -16.4578 -16.4578 -15.6773 -15.6772 -5.1524 -5.1523 0.7365 0.7368 6.2321 6.2321 7.0657 7.0691 7.1191 7.1227 10.1384 10.1443 10.2261 10.2324 11.5688 11.5689 17.6563 17.6667 17.9978 18.0201 18.4098 18.4222 18.6197 18.6220 19.3145 19.3199 19.5694 19.5734 k = 0.0172 0.0299 0.4696 ( 1824 PWs) bands (ev): -51.3803 -51.3803 -24.4814 -24.4814 -16.4578 -16.4577 -15.6763 -15.6762 -5.1545 -5.1545 0.7316 0.7317 6.2339 6.2340 7.0699 7.0716 7.1166 7.1184 10.1364 10.1390 10.2210 10.2237 11.5523 11.5524 17.6998 17.7053 18.0278 18.0410 18.3403 18.3481 18.6543 18.6553 19.3009 19.3035 19.5455 19.5473 k = 0.0115 0.0199 0.4696 ( 1824 PWs) bands (ev): -51.3804 -51.3804 -24.4813 -24.4813 -16.4577 -16.4577 -15.6755 -15.6755 -5.1561 -5.1561 0.7280 0.7280 6.2352 6.2352 7.0718 7.0724 7.1158 7.1164 10.1344 10.1352 10.2172 10.2181 11.5404 11.5404 17.7342 17.7362 18.0623 18.0681 18.2747 18.2786 18.6819 18.6822 19.2865 19.2873 19.5298 19.5304 k = 0.0057 0.0100 0.4696 ( 1824 PWs) bands (ev): -51.3804 -51.3804 -24.4812 -24.4812 -16.4577 -16.4577 -15.6751 -15.6751 -5.1570 -5.1570 0.7258 0.7258 6.2360 6.2360 7.0724 7.0725 7.1158 7.1159 10.1330 10.1331 10.2149 10.2150 11.5332 11.5332 17.7561 17.7564 18.1017 18.1030 18.2154 18.2165 18.6999 18.7000 19.2753 19.2754 19.5211 19.5211 k = 0.0000 0.0000 0.4696 ( 1816 PWs) bands (ev): -51.3804 -51.3804 -24.4812 -24.4812 -16.4577 -16.4577 -15.6749 -15.6749 -5.1574 -5.1574 0.7251 0.7251 6.2363 6.2363 7.0724 7.0724 7.1158 7.1158 10.1324 10.1324 10.2141 10.2141 11.5307 11.5307 17.7635 17.7635 18.1326 18.1326 18.1776 18.1776 18.7062 18.7062 19.2711 19.2711 19.5183 19.5183 k = 0.5000 0.2887 0.4696 ( 1800 PWs) bands (ev): -51.3770 -51.3770 -24.5032 -24.5032 -16.4661 -16.4661 -15.8166 -15.8166 -4.8469 -4.8469 1.5048 1.5048 5.9268 5.9268 6.8848 6.8848 8.2786 8.2786 10.5515 10.5515 12.1565 12.1565 12.3522 12.3522 16.2075 16.2075 16.4543 16.4543 17.0406 17.0406 18.4214 18.4214 18.7028 18.7028 18.8921 18.8921 k = 0.5000 0.2887 0.4581 ( 1796 PWs) bands (ev): -51.3770 -51.3770 -24.5034 -24.5030 -16.4665 -16.4651 -15.8167 -15.8164 -4.8497 -4.8495 1.5033 1.5063 5.9298 5.9337 6.8861 6.8865 8.2794 8.2795 10.5504 10.5512 12.1564 12.1569 12.3513 12.3515 16.2019 16.2058 16.4448 16.4527 17.0313 17.0560 18.4097 18.4363 18.7000 18.7008 18.8907 18.9019 k = 0.5000 0.2887 0.4467 ( 1800 PWs) bands (ev): -51.3770 -51.3770 -24.5035 -24.5026 -16.4662 -16.4635 -15.8169 -15.8164 -4.8579 -4.8576 1.5015 1.5076 5.9428 5.9506 6.8904 6.8910 8.2821 8.2821 10.5480 10.5497 12.1564 12.1573 12.3490 12.3494 16.1892 16.1967 16.4256 16.4396 17.0287 17.0761 18.4015 18.4543 18.6938 18.6941 18.8976 18.9187 k = 0.5000 0.2887 0.4352 ( 1800 PWs) bands (ev): -51.3770 -51.3770 -24.5035 -24.5022 -16.4652 -16.4613 -15.8171 -15.8163 -4.8714 -4.8709 1.4997 1.5087 5.9657 5.9773 6.8976 6.8985 8.2865 8.2865 10.5443 10.5468 12.1565 12.1580 12.3452 12.3457 16.1698 16.1802 16.3985 16.4157 17.0321 17.0988 18.3969 18.4748 18.6845 18.6860 18.9112 18.9407 k = 0.5000 0.2887 0.4238 ( 1790 PWs) bands (ev): -51.3770 -51.3770 -24.5035 -24.5018 -16.4636 -16.4584 -15.8173 -15.8163 -4.8901 -4.8895 1.4978 1.5096 5.9982 6.0137 6.9078 6.9089 8.2926 8.2926 10.5393 10.5427 12.1567 12.1588 12.3399 12.3405 16.1440 16.1566 16.3652 16.3826 17.0401 17.1222 18.3959 18.4971 18.6741 18.6782 18.9298 18.9662 k = 0.5000 0.2887 0.4123 ( 1786 PWs) bands (ev): -51.3770 -51.3770 -24.5033 -24.5012 -16.4614 -16.4550 -15.8175 -15.8163 -4.9138 -4.9130 1.4959 1.5102 6.0401 6.0595 6.9210 6.9222 8.3004 8.3005 10.5330 10.5373 12.1569 12.1598 12.3332 12.3337 16.1120 16.1264 16.3270 16.3421 17.0507 17.1447 18.3985 18.5200 18.6654 18.6715 18.9518 18.9941 k = 0.5000 0.2887 0.4009 ( 1786 PWs) bands (ev): -51.3770 -51.3770 -24.5031 -24.5006 -16.4586 -16.4509 -15.8178 -15.8163 -4.9423 -4.9413 1.4939 1.5107 6.0912 6.1144 6.9372 6.9383 8.3099 8.3100 10.5254 10.5307 12.1572 12.1610 12.3251 12.3252 16.0744 16.0903 16.2846 16.2962 17.0624 17.1650 18.4045 18.5411 18.6613 18.6665 18.9759 19.0234 k = 0.5000 0.2887 0.3894 ( 1786 PWs) bands (ev): -51.3770 -51.3770 -24.5029 -24.5000 -16.4551 -16.4463 -15.8181 -15.8164 -4.9754 -4.9742 1.4918 1.5108 6.1510 6.1781 6.9565 6.9573 8.3211 8.3212 10.5165 10.5229 12.1573 12.1624 12.3150 12.3155 16.0313 16.0491 16.2387 16.2465 17.0738 17.1821 18.4139 18.5572 18.6636 18.6654 19.0013 19.0537 k = 0.5000 0.2887 0.3780 ( 1794 PWs) bands (ev): -51.3771 -51.3770 -24.5025 -24.4992 -16.4511 -16.4412 -15.8184 -15.8165 -5.0127 -5.0113 1.4897 1.5108 6.2191 6.2502 6.9788 6.9791 8.3340 8.3341 10.5064 10.5140 12.1573 12.1640 12.3030 12.3046 15.9833 16.0037 16.1895 16.1944 17.0839 17.1955 18.4264 18.5656 18.6628 18.6804 19.0276 19.0844 k = 0.5000 0.2887 0.3665 ( 1794 PWs) bands (ev): -51.3771 -51.3771 -24.5021 -24.4985 -16.4465 -16.4355 -15.8187 -15.8166 -5.0539 -5.0523 1.4876 1.5105 6.2949 6.3303 7.0036 7.0043 8.3484 8.3485 10.4952 10.5039 12.1568 12.1658 12.2892 12.2926 15.9306 15.9550 16.1372 16.1408 17.0922 17.2050 18.4418 18.5675 18.6641 18.7048 19.0542 19.1151 k = 0.5000 0.2887 0.3551 ( 1792 PWs) bands (ev): -51.3771 -51.3771 -24.5016 -24.4977 -16.4414 -16.4293 -15.8191 -15.8167 -5.0987 -5.0969 1.4855 1.5099 6.3779 6.4178 7.0310 7.0331 8.3644 8.3645 10.4828 10.4929 12.1555 12.1678 12.2735 12.2796 15.8737 15.9036 16.0821 16.0866 17.0983 17.2106 18.4597 18.5660 18.6672 18.7351 19.0808 19.1456 k = 0.5000 0.2887 0.3436 ( 1796 PWs) bands (ev): -51.3771 -51.3771 -24.5010 -24.4968 -16.4357 -16.4227 -15.8195 -15.8169 -5.1468 -5.1446 1.4834 1.5090 6.4672 6.5121 7.0611 7.0654 8.3819 8.3819 10.4693 10.4808 12.1530 12.1699 12.2559 12.2663 15.8127 15.8498 16.0249 16.0325 17.1022 17.2125 18.4799 18.5633 18.6718 18.7686 19.1070 19.1754 k = 0.5000 0.2887 0.3322 ( 1800 PWs) bands (ev): -51.3772 -51.3771 -24.5004 -24.4959 -16.4296 -16.4156 -15.8198 -15.8171 -5.1977 -5.1953 1.4812 1.5080 6.5620 6.6127 7.0941 7.1015 8.4008 8.4008 10.4548 10.4679 12.1483 12.1720 12.2365 12.2534 15.7482 15.7937 15.9660 15.9790 17.1040 17.2112 18.5018 18.5605 18.6776 18.8038 19.1328 19.2044 k = 0.5000 0.2887 0.3207 ( 1796 PWs) bands (ev): -51.3772 -51.3771 -24.4997 -24.4950 -16.4229 -16.4082 -15.8202 -15.8173 -5.2510 -5.2483 1.4791 1.5067 6.6610 6.7186 7.1302 7.1420 8.4211 8.4211 10.4394 10.4541 12.1403 12.1736 12.2157 12.2420 15.6804 15.7353 15.9066 15.9264 17.1039 17.2071 18.5250 18.5577 18.6844 18.8397 19.1579 19.2323 k = 0.5000 0.2887 0.3092 ( 1794 PWs) bands (ev): -51.3772 -51.3772 -24.4990 -24.4940 -16.4159 -16.4004 -15.8206 -15.8175 -5.3064 -5.3034 1.4769 1.5051 6.7628 6.8290 7.1696 7.1876 8.4427 8.4427 10.4231 10.4395 12.1279 12.1717 12.1966 12.2333 15.6096 15.6741 15.8475 15.8752 17.1022 17.2007 18.5488 18.5551 18.6918 18.8755 19.1823 19.2589 k = 0.5000 0.2887 0.2978 ( 1798 PWs) bands (ev): -51.3772 -51.3772 -24.4982 -24.4930 -16.4085 -16.3923 -15.8210 -15.8178 -5.3634 -5.3602 1.4748 1.5034 6.8652 6.9422 7.2131 7.2398 8.4655 8.4655 10.4060 10.4243 12.1105 12.1562 12.1893 12.2279 15.5363 15.6097 15.7902 15.8256 17.0994 17.1927 18.5525 18.5726 18.7001 18.9106 19.2059 19.2840 k = 0.5000 0.2887 0.2863 ( 1804 PWs) bands (ev): -51.3773 -51.3772 -24.4974 -24.4921 -16.4007 -16.3840 -15.8214 -15.8180 -5.4218 -5.4183 1.4727 1.5014 6.9654 7.0554 7.2629 7.3007 8.4895 8.4895 10.3882 10.4084 12.0884 12.1302 12.1906 12.2254 15.4606 15.5416 15.7354 15.7779 17.0957 17.1835 18.5498 18.5953 18.7094 18.9444 19.2286 19.3074 k = 0.5000 0.2887 0.2749 ( 1804 PWs) bands (ev): -51.3773 -51.3773 -24.4965 -24.4910 -16.3927 -16.3754 -15.8218 -15.8183 -5.4811 -5.4774 1.4706 1.4993 7.0600 7.1628 7.3240 7.3728 8.5145 8.5146 10.3698 10.3921 12.0624 12.1004 12.1940 12.2252 15.3831 15.4699 15.6840 15.7321 17.0917 17.1738 18.5468 18.6156 18.7206 18.9766 19.2507 19.3289 k = 0.5000 0.2887 0.2634 ( 1800 PWs) bands (ev): -51.3773 -51.3773 -24.4956 -24.4900 -16.3843 -16.3667 -15.8222 -15.8185 -5.5408 -5.5369 1.4685 1.4971 7.1460 7.2542 7.4058 7.4583 8.5405 8.5406 10.3510 10.3755 12.0330 12.0679 12.1982 12.2268 15.3041 15.3948 15.6361 15.6885 17.0877 17.1639 18.5433 18.6319 18.7347 19.0065 19.2723 19.3484 k = 0.5000 0.2887 0.2520 ( 1800 PWs) bands (ev): -51.3773 -51.3773 -24.4947 -24.4890 -16.3758 -16.3578 -15.8226 -15.8188 -5.6008 -5.5967 1.4665 1.4947 7.2228 7.3256 7.5114 7.5571 8.5674 8.5676 10.3318 10.3585 12.0009 12.0334 12.2030 12.2297 15.2240 15.3169 15.5918 15.6471 17.0839 17.1542 18.5392 18.6431 18.7524 19.0337 19.2933 19.3659 k = 0.5000 0.2887 0.2405 ( 1794 PWs) bands (ev): -51.3774 -51.3773 -24.4937 -24.4880 -16.3670 -16.3489 -15.8229 -15.8191 -5.6606 -5.6563 1.4645 1.4922 7.2918 7.3855 7.6314 7.6666 8.5951 8.5954 10.3124 10.3414 11.9665 11.9969 12.2083 12.2336 15.1430 15.2368 15.5510 15.6080 17.0807 17.1452 18.5343 18.6492 18.7736 19.0578 19.3139 19.3812 k = 0.5000 0.2887 0.2291 ( 1794 PWs) bands (ev): -51.3774 -51.3773 -24.4927 -24.4871 -16.3582 -16.3399 -15.8233 -15.8194 -5.7199 -5.7154 1.4626 1.4896 7.3554 7.4408 7.7578 7.7836 8.6235 8.6239 10.2929 10.3242 11.9301 11.9586 12.2141 12.2384 15.0617 15.1552 15.5135 15.5713 17.0782 17.1369 18.5286 18.6506 18.7972 19.0789 19.3338 19.3943 k = 0.5000 0.2887 0.2176 ( 1790 PWs) bands (ev): -51.3774 -51.3774 -24.4917 -24.4861 -16.3492 -16.3310 -15.8236 -15.8197 -5.7783 -5.7738 1.4607 1.4870 7.4156 7.4946 7.8865 7.9048 8.6526 8.6531 10.2734 10.3071 11.8922 11.9190 12.2203 12.2439 14.9804 15.0726 15.4790 15.5369 17.0767 17.1298 18.5220 18.6483 18.8222 19.0968 19.3528 19.4054 k = 0.5000 0.2887 0.2062 ( 1800 PWs) bands (ev): -51.3775 -51.3774 -24.4907 -24.4852 -16.3403 -16.3222 -15.8239 -15.8200 -5.8356 -5.8310 1.4589 1.4843 7.4738 7.5479 8.0153 8.0279 8.6824 8.6829 10.2541 10.2901 11.8530 11.8781 12.2270 12.2500 14.8995 14.9898 15.4475 15.5047 17.0763 17.1239 18.5144 18.6429 18.8480 19.1119 19.3703 19.4146 k = 0.5000 0.2887 0.1947 ( 1800 PWs) bands (ev): -51.3775 -51.3774 -24.4897 -24.4843 -16.3315 -16.3136 -15.8242 -15.8203 -5.8915 -5.8868 1.4571 1.4816 7.5309 7.6011 8.1425 8.1508 8.7130 8.7135 10.2351 10.2734 11.8130 11.8364 12.2341 12.2567 14.8195 14.9073 15.4188 15.4750 17.0771 17.1193 18.5060 18.6349 18.8739 19.1245 19.3861 19.4223 k = 0.5000 0.2887 0.1833 ( 1804 PWs) bands (ev): -51.3775 -51.3775 -24.4887 -24.4834 -16.3227 -16.3051 -15.8244 -15.8206 -5.9456 -5.9409 1.4555 1.4789 7.5871 7.6543 8.2666 8.2716 8.7444 8.7449 10.2166 10.2571 11.7726 11.7941 12.2417 12.2638 14.7406 14.8255 15.3928 15.4474 17.0790 17.1160 18.4968 18.6246 18.8996 19.1350 19.4000 19.4289 k = 0.5000 0.2887 0.1718 ( 1802 PWs) bands (ev): -51.3776 -51.3775 -24.4877 -24.4826 -16.3140 -16.2969 -15.8247 -15.8209 -5.9978 -5.9931 1.4539 1.4762 7.6425 7.7072 8.3859 8.3884 8.7774 8.7777 10.1988 10.2412 11.7321 11.7518 12.2498 12.2715 14.6635 14.7450 15.3694 15.4221 17.0820 17.1142 18.4868 18.6124 18.9249 19.1439 19.4119 19.4345 k = 0.5000 0.2887 0.1603 ( 1798 PWs) bands (ev): -51.3776 -51.3775 -24.4868 -24.4818 -16.3055 -16.2890 -15.8249 -15.8211 -6.0477 -6.0432 1.4524 1.4735 7.6973 7.7597 8.4982 8.4990 8.8127 8.8128 10.1818 10.2259 11.6920 11.7099 12.2582 12.2795 14.5884 14.6663 15.3484 15.3989 17.0861 17.1137 18.4763 18.5984 18.9495 19.1515 19.4222 19.4395 k = 0.5000 0.2887 0.1489 ( 1798 PWs) bands (ev): -51.3776 -51.3776 -24.4858 -24.4811 -16.2973 -16.2814 -15.8250 -15.8214 -6.0952 -6.0907 1.4511 1.4708 7.7513 7.8114 8.6001 8.6002 8.8520 8.8526 10.1658 10.2113 11.6528 11.6689 12.2670 12.2879 14.5158 14.5898 15.3298 15.3778 17.0912 17.1144 18.4653 18.5831 18.9733 19.1580 19.4309 19.4440 k = 0.5000 0.2887 0.1374 ( 1798 PWs) bands (ev): -51.3776 -51.3776 -24.4849 -24.4804 -16.2894 -16.2743 -15.8252 -15.8217 -6.1400 -6.1357 1.4498 1.4683 7.8041 7.8620 8.6875 8.6876 8.8986 8.9003 10.1509 10.1974 11.6150 11.6292 12.2762 12.2964 14.4462 14.5160 15.3134 15.3586 17.0971 17.1162 18.4541 18.5665 18.9962 19.1637 19.4386 19.4482 k = 0.5000 0.2887 0.1260 ( 1798 PWs) bands (ev): -51.3776 -51.3776 -24.4840 -24.4798 -16.2819 -16.2676 -15.8253 -15.8220 -6.1820 -6.1778 1.4487 1.4658 7.8556 7.9111 8.7564 8.7570 8.9554 8.9587 10.1373 10.1842 11.5791 11.5913 12.2856 12.3052 14.3801 14.4454 15.2990 15.3413 17.1036 17.1190 18.4428 18.5491 19.0180 19.1686 19.4453 19.4523 k = 0.5000 0.2887 0.1145 ( 1796 PWs) bands (ev): -51.3777 -51.3776 -24.4831 -24.4792 -16.2747 -16.2614 -15.8253 -15.8222 -6.2208 -6.2170 1.4478 1.4634 7.9053 7.9582 8.8071 8.8086 9.0214 9.0261 10.1252 10.1719 11.5454 11.5559 12.2951 12.3139 14.3178 14.3784 15.2867 15.3257 17.1106 17.1226 18.4318 18.5312 19.0387 19.1729 19.4514 19.4561 k = 0.5000 0.2887 0.1031 ( 1796 PWs) bands (ev): -51.3777 -51.3776 -24.4823 -24.4787 -16.2680 -16.2557 -15.8254 -15.8225 -6.2565 -6.2529 1.4470 1.4611 7.9529 8.0028 8.8449 8.8470 9.0911 9.0966 10.1147 10.1603 11.5145 11.5233 12.3047 12.3225 14.2599 14.3155 15.2761 15.3118 17.1178 17.1269 18.4212 18.5130 19.0581 19.1765 19.4568 19.4599 k = 0.5000 0.2887 0.0916 ( 1796 PWs) bands (ev): -51.3777 -51.3777 -24.4816 -24.4783 -16.2618 -16.2506 -15.8254 -15.8227 -6.2888 -6.2855 1.4463 1.4590 7.9980 8.0444 8.8746 8.8769 9.1588 9.1646 10.1059 10.1496 11.4867 11.4939 12.3142 12.3308 14.2068 14.2572 15.2673 15.2995 17.1250 17.1316 18.4113 18.4949 19.0763 19.1795 19.4618 19.4636 k = 0.5000 0.2887 0.0802 ( 1800 PWs) bands (ev): -51.3777 -51.3777 -24.4809 -24.4780 -16.2561 -16.2462 -15.8254 -15.8230 -6.3176 -6.3146 1.4458 1.4569 8.0400 8.0824 8.8988 8.9012 9.2211 9.2268 10.0988 10.1397 11.4622 11.4680 12.3234 12.3386 14.1590 14.2039 15.2601 15.2886 17.1319 17.1364 18.4025 18.4772 19.0930 19.1817 19.4662 19.4672 k = 0.5000 0.2887 0.0687 ( 1800 PWs) bands (ev): -51.3777 -51.3777 -24.4802 -24.4777 -16.2510 -16.2423 -15.8253 -15.8232 -6.3427 -6.3401 1.4455 1.4550 8.0784 8.1163 8.9189 8.9213 9.2762 9.2814 10.0935 10.1306 11.4413 11.4458 12.3322 12.3458 14.1169 14.1561 15.2544 15.2791 17.1385 17.1413 18.3950 18.4602 19.1084 19.1831 19.4702 19.4705 k = 0.5000 0.2887 0.0573 ( 1806 PWs) bands (ev): -51.3777 -51.3777 -24.4796 -24.4775 -16.2465 -16.2392 -15.8253 -15.8235 -6.3641 -6.3619 1.4453 1.4533 8.1127 8.1455 8.9355 8.9378 9.3231 9.3276 10.0898 10.1223 11.4239 11.4273 12.3403 12.3521 14.0810 14.1142 15.2501 15.2708 17.1444 17.1459 18.3890 18.4443 19.1223 19.1837 19.4736 19.4737 k = 0.5000 0.2887 0.0458 ( 1798 PWs) bands (ev): -51.3777 -51.3777 -24.4791 -24.4773 -16.2426 -16.2367 -15.8251 -15.8237 -6.3817 -6.3799 1.4453 1.4517 8.1423 8.1695 8.9491 8.9511 9.3614 9.3650 10.0879 10.1149 11.4100 11.4126 12.3476 12.3573 14.0517 14.0786 15.2471 15.2638 17.1494 17.1501 18.3849 18.4297 19.1348 19.1832 19.4763 19.4767 k = 0.5000 0.2887 0.0344 ( 1806 PWs) bands (ev): -51.3778 -51.3777 -24.4786 -24.4773 -16.2394 -16.2349 -15.8250 -15.8239 -6.3954 -6.3941 1.4455 1.4503 8.1669 8.1878 8.9597 8.9613 9.3910 9.3937 10.0873 10.1082 11.3996 11.4014 12.3538 12.3613 14.0293 14.0497 15.2453 15.2579 17.1535 17.1537 18.3828 18.4167 19.1458 19.1817 19.4786 19.4790 k = 0.5000 0.2887 0.0229 ( 1802 PWs) bands (ev): -51.3778 -51.3777 -24.4782 -24.4773 -16.2369 -16.2339 -15.8249 -15.8241 -6.4052 -6.4043 1.4458 1.4491 8.1859 8.2001 8.9674 8.9685 9.4121 9.4139 10.0882 10.1023 11.3924 11.3935 12.3588 12.3639 14.0141 14.0278 15.2447 15.2531 17.1564 17.1564 18.3828 18.4056 19.1553 19.1791 19.4803 19.4807 k = 0.5000 0.2887 0.0115 ( 1802 PWs) bands (ev): -51.3778 -51.3778 -24.4779 -24.4774 -16.2350 -16.2335 -15.8247 -15.8243 -6.4110 -6.4105 1.4464 1.4480 8.1989 8.2061 8.9721 8.9727 9.4249 9.4257 10.0902 10.0973 11.3882 11.3888 12.3624 12.3650 14.0062 14.0131 15.2452 15.2494 17.1581 17.1582 18.3851 18.3966 19.1633 19.1752 19.4815 19.4816 k = 0.5000 0.2887-0.0000 ( 1802 PWs) bands (ev): -51.3778 -51.3778 -24.4776 -24.4776 -16.2339 -16.2339 -15.8245 -15.8245 -6.4128 -6.4128 1.4471 1.4471 8.2057 8.2057 8.9738 8.9738 9.4294 9.4294 10.0933 10.0933 11.3870 11.3870 12.3645 12.3645 14.0059 14.0059 15.2468 15.2468 17.1587 17.1587 18.3897 18.3897 19.1699 19.1699 19.4819 19.4819 k = 0.3333 0.5774-0.0000 ( 1830 PWs) bands (ev): -51.3772 -51.3771 -24.4852 -24.4780 -16.2417 -16.2227 -15.8823 -15.8231 -6.3898 -6.3440 1.4340 1.7182 8.1102 8.2809 9.3049 9.3231 9.5440 9.6381 10.4778 10.5201 10.8947 10.9076 11.5519 11.9280 14.4752 14.7112 15.8515 16.0043 16.0483 16.0698 17.5894 17.6410 18.1696 18.2210 19.4283 19.5551 k = 0.3333 0.5774 0.0115 ( 1833 PWs) bands (ev): -51.3772 -51.3771 -24.4852 -24.4780 -16.2421 -16.2231 -15.8823 -15.8231 -6.3878 -6.3420 1.4341 1.7184 8.1091 8.2796 9.2992 9.3176 9.5378 9.6311 10.4841 10.5262 10.8943 10.9073 11.5526 11.9294 14.4750 14.7107 15.8548 16.0029 16.0496 16.0697 17.5912 17.6427 18.1710 18.2225 19.4290 19.5558 k = 0.3333 0.5774 0.0229 ( 1833 PWs) bands (ev): -51.3772 -51.3771 -24.4854 -24.4781 -16.2432 -16.2241 -15.8823 -15.8229 -6.3818 -6.3361 1.4345 1.7188 8.1059 8.2759 9.2827 9.3014 9.5191 9.6103 10.5024 10.5442 10.8933 10.9063 11.5550 11.9336 14.4746 14.7093 15.8648 15.9986 16.0510 16.0723 17.5968 17.6477 18.1752 18.2268 19.4312 19.5581 k = 0.3333 0.5774 0.0344 ( 1815 PWs) bands (ev): -51.3772 -51.3770 -24.4856 -24.4783 -16.2450 -16.2259 -15.8824 -15.8227 -6.3718 -6.3262 1.4352 1.7195 8.1006 8.2696 9.2562 9.2753 9.4883 9.5762 10.5317 10.5730 10.8914 10.9047 11.5589 11.9405 14.4741 14.7071 15.8813 15.9917 16.0472 16.0828 17.6059 17.6560 18.1822 18.2340 19.4349 19.5619 k = 0.3333 0.5774 0.0458 ( 1809 PWs) bands (ev): -51.3771 -51.3770 -24.4859 -24.4784 -16.2475 -16.2283 -15.8825 -15.8223 -6.3579 -6.3124 1.4360 1.7204 8.0931 8.2610 9.2212 9.2408 9.4455 9.5297 10.5701 10.6111 10.8887 10.9023 11.5645 11.9502 14.4735 14.7043 15.9039 15.9824 16.0388 16.1007 17.6182 17.6671 18.1921 18.2441 19.4399 19.5671 k = 0.3333 0.5774 0.0573 ( 1797 PWs) bands (ev): -51.3771 -51.3770 -24.4862 -24.4787 -16.2507 -16.2315 -15.8825 -15.8218 -6.3400 -6.2947 1.4372 1.7216 8.0836 8.2500 9.1793 9.1990 9.3914 9.4717 10.6159 10.6569 10.8850 10.8989 11.5719 11.9625 14.4731 14.7014 15.9320 15.9711 16.0276 16.1242 17.6334 17.6807 18.2049 18.2571 19.4462 19.5736 k = 0.3333 0.5774 0.0687 ( 1797 PWs) bands (ev): -51.3771 -51.3770 -24.4867 -24.4790 -16.2546 -16.2353 -15.8827 -15.8213 -6.3184 -6.2733 1.4386 1.7231 8.0722 8.2367 9.1319 9.1513 9.3264 9.4031 10.6675 10.7088 10.8803 10.8946 11.5809 11.9775 14.4730 14.6986 15.9582 15.9653 16.0144 16.1525 17.6511 17.6964 18.2205 18.2732 19.4536 19.5813 k = 0.3333 0.5774 0.0802 ( 1797 PWs) bands (ev): -51.3771 -51.3770 -24.4872 -24.4793 -16.2592 -16.2397 -15.8828 -15.8206 -6.2931 -6.2482 1.4402 1.7248 8.0588 8.2213 9.0804 9.0985 9.2512 9.3251 10.7230 10.7655 10.8745 10.8896 11.5918 11.9949 14.4734 14.6963 15.9443 15.9999 16.0030 16.1852 17.6707 17.7138 18.2392 18.2922 19.4620 19.5899 k = 0.3333 0.5774 0.0916 ( 1797 PWs) bands (ev): -51.3771 -51.3770 -24.4879 -24.4797 -16.2643 -16.2447 -15.8830 -15.8199 -6.2641 -6.2195 1.4420 1.7267 8.0435 8.2039 9.0259 9.0412 9.1666 9.2394 10.7804 10.8256 10.8674 10.8846 11.6045 12.0148 14.4746 14.6949 15.9298 15.9848 16.0448 16.2215 17.6919 17.7324 18.2608 18.3141 19.4712 19.5995 k = 0.3333 0.5774 0.1031 ( 1797 PWs) bands (ev): -51.3771 -51.3769 -24.4885 -24.4802 -16.2701 -16.2503 -15.8832 -15.8191 -6.2316 -6.1874 1.4440 1.7289 8.0265 8.1846 8.9693 8.9786 9.0733 9.1482 10.8326 10.8591 10.8856 10.8881 11.6191 12.0370 14.4768 14.6947 15.9152 15.9695 16.0898 16.2609 17.7141 17.7518 18.2853 18.3390 19.4813 19.6099 k = 0.3333 0.5774 0.1145 ( 1791 PWs) bands (ev): -51.3770 -51.3769 -24.4893 -24.4807 -16.2763 -16.2564 -15.8834 -15.8182 -6.1958 -6.1519 1.4463 1.7313 8.0077 8.1636 8.9086 8.9114 8.9722 9.0553 10.8496 10.8504 10.9211 10.9521 11.6356 12.0613 14.4802 14.6961 15.9010 15.9547 16.1376 16.3030 17.7369 17.7715 18.3128 18.3668 19.4920 19.6209 k = 0.3333 0.5774 0.1260 ( 1788 PWs) bands (ev): -51.3770 -51.3769 -24.4901 -24.4812 -16.2831 -16.2630 -15.8836 -15.8172 -6.1567 -6.1132 1.4488 1.7339 7.9872 8.1410 8.8266 8.8529 8.8641 8.9666 10.8389 10.8441 10.9800 11.0167 11.6538 12.0877 14.4851 14.6993 15.8877 15.9408 16.1874 16.3469 17.7599 17.7911 18.3430 18.3974 19.5033 19.6325 k = 0.3333 0.5774 0.1374 ( 1794 PWs) bands (ev): -51.3770 -51.3769 -24.4910 -24.4818 -16.2903 -16.2701 -15.8839 -15.8161 -6.1146 -6.0716 1.4514 1.7367 7.9651 8.1170 8.7288 8.7501 8.7942 8.8874 10.8269 10.8332 11.0423 11.0814 11.6737 12.1159 14.4917 14.7047 15.8758 15.9284 16.2385 16.3923 17.7826 17.8102 18.3761 18.4306 19.5150 19.6445 k = 0.3333 0.5774 0.1489 ( 1800 PWs) bands (ev): -51.3770 -51.3769 -24.4919 -24.4824 -16.2980 -16.2775 -15.8841 -15.8150 -6.0697 -6.0271 1.4543 1.7396 7.9411 8.0918 8.6167 8.6312 8.7357 8.8174 10.8139 10.8202 11.1049 11.1456 11.6953 12.1458 14.5002 14.7124 15.8656 15.9177 16.2905 16.4384 17.8047 17.8287 18.4117 18.4663 19.5271 19.6568 k = 0.3333 0.5774 0.1603 ( 1800 PWs) bands (ev): -51.3770 -51.3769 -24.4929 -24.4830 -16.3060 -16.2853 -15.8844 -15.8139 -6.0221 -5.9799 1.4573 1.7427 7.9152 8.0655 8.4944 8.5085 8.6778 8.7536 10.7998 10.8060 11.1669 11.2086 11.7183 12.1772 14.5108 14.7226 15.8576 15.9093 16.3426 16.4847 17.8259 17.8463 18.4498 18.5044 19.5395 19.6695 k = 0.3333 0.5774 0.1718 ( 1800 PWs) bands (ev): -51.3770 -51.3769 -24.4939 -24.4837 -16.3143 -16.2933 -15.8847 -15.8127 -5.9720 -5.9304 1.4604 1.7460 7.8867 8.0384 8.3653 8.3837 8.6207 8.6937 10.7849 10.7906 11.2277 11.2703 11.7427 12.2099 14.5237 14.7357 15.8520 15.9036 16.3942 16.5305 17.8458 17.8627 18.4902 18.5447 19.5521 19.6822 k = 0.3333 0.5774 0.1833 ( 1806 PWs) bands (ev): -51.3770 -51.3769 -24.4949 -24.4843 -16.3228 -16.3016 -15.8850 -15.8114 -5.9197 -5.8786 1.4637 1.7493 7.8543 8.0106 8.2317 8.2588 8.5647 8.6365 10.7692 10.7744 11.2868 11.3300 11.7682 12.2436 14.5390 14.7516 15.8493 15.9006 16.4448 16.5751 17.8643 17.8779 18.5327 18.5869 19.5649 19.6951 k = 0.3333 0.5774 0.1947 ( 1806 PWs) bands (ev): -51.3769 -51.3769 -24.4960 -24.4850 -16.3315 -16.3101 -15.8853 -15.8101 -5.8655 -5.8249 1.4671 1.7528 7.8155 7.9823 8.0949 8.1377 8.5099 8.5814 10.7528 10.7575 11.3439 11.3875 11.7947 12.2782 14.5570 14.7705 15.8495 15.9008 16.4936 16.6181 17.8812 17.8917 18.5771 18.6310 19.5777 19.7080 k = 0.3333 0.5774 0.2062 ( 1803 PWs) bands (ev): -51.3769 -51.3768 -24.4971 -24.4858 -16.3404 -16.3187 -15.8856 -15.8088 -5.8095 -5.7696 1.4706 1.7564 7.7642 7.9537 7.9561 8.0270 8.4567 8.5284 10.7359 10.7400 11.3987 11.4426 11.8220 12.3133 14.5778 14.7927 15.8529 15.9043 16.5401 16.6588 17.8962 17.9041 18.6231 18.6765 19.5905 19.7208 k = 0.3333 0.5774 0.2176 ( 1800 PWs) bands (ev): -51.3769 -51.3768 -24.4982 -24.4865 -16.3493 -16.3274 -15.8859 -15.8074 -5.7521 -5.7128 1.4743 1.7600 7.6915 7.8162 7.9250 7.9367 8.4049 8.4773 10.7187 10.7222 11.4510 11.4949 11.8498 12.3488 14.6015 14.8180 15.8596 15.9112 16.5837 16.6966 17.9094 17.9151 18.6705 18.7233 19.6032 19.7335 k = 0.3333 0.5774 0.2291 ( 1800 PWs) bands (ev): -51.3769 -51.3768 -24.4993 -24.4872 -16.3583 -16.3361 -15.8863 -15.8061 -5.6936 -5.6549 1.4779 1.7636 7.5934 7.6761 7.8717 7.8962 8.3549 8.4282 10.7012 10.7042 11.5005 11.5442 11.8780 12.3843 14.6282 14.8467 15.8696 15.9215 16.6237 16.7310 17.9206 17.9248 18.7192 18.7712 19.6158 19.7460 k = 0.3333 0.5774 0.2405 ( 1797 PWs) bands (ev): -51.3768 -51.3768 -24.5005 -24.4880 -16.3673 -16.3448 -15.8866 -15.8047 -5.6342 -5.5961 1.4817 1.7673 7.4776 7.5366 7.8251 7.8677 8.3067 8.3810 10.6836 10.6860 11.5472 11.5905 11.9063 12.4196 14.6580 14.8787 15.8829 15.9352 16.6597 16.7615 17.9298 17.9332 18.7687 18.8198 19.6281 19.7581 k = 0.3333 0.5774 0.2520 ( 1797 PWs) bands (ev): -51.3768 -51.3768 -24.5016 -24.4887 -16.3762 -16.3535 -15.8869 -15.8034 -5.5744 -5.5369 1.4854 1.7710 7.3534 7.3984 7.7885 7.8396 8.2604 8.3358 10.6660 10.6679 11.5909 11.6337 11.9345 12.4546 14.6910 14.9141 15.8996 15.9522 16.6911 16.7875 17.9371 17.9405 18.8188 18.8690 19.6401 19.7699 k = 0.3333 0.5774 0.2634 ( 1797 PWs) bands (ev): -51.3768 -51.3767 -24.5027 -24.4894 -16.3850 -16.3620 -15.8872 -15.8020 -5.5143 -5.4775 1.4892 1.7746 7.2262 7.2622 7.7573 7.8119 8.2162 8.2927 10.6486 10.6499 11.6315 11.6736 11.9624 12.4888 14.7272 14.9528 15.9194 15.9723 16.7174 16.8087 17.9425 17.9467 18.8693 18.9184 19.6516 19.7811 k = 0.3333 0.5774 0.2749 ( 1809 PWs) bands (ev): -51.3768 -51.3768 -24.5038 -24.4901 -16.3936 -16.3703 -15.8875 -15.8007 -5.4545 -5.4183 1.4930 1.7782 7.0991 7.1286 7.7292 7.7849 8.1739 8.2516 10.6314 10.6323 11.6691 11.7103 11.9899 12.5221 14.7665 14.9949 15.9421 15.9952 16.7382 16.8247 17.9460 17.9520 18.9198 18.9678 19.6626 19.7918 k = 0.3333 0.5774 0.2863 ( 1809 PWs) bands (ev): -51.3768 -51.3767 -24.5049 -24.4909 -16.4020 -16.3784 -15.8878 -15.7994 -5.3951 -5.3596 1.4968 1.7817 6.9737 6.9985 7.7033 7.7587 8.1338 8.2126 10.6147 10.6150 11.7037 11.7439 12.0166 12.5544 14.8090 15.0402 15.9675 16.0207 16.7533 16.8353 17.9479 17.9566 18.9701 19.0169 19.6730 19.8018 k = 0.3333 0.5774 0.2978 ( 1809 PWs) bands (ev): -51.3768 -51.3767 -24.5059 -24.4915 -16.4101 -16.3863 -15.8881 -15.7982 -5.3367 -5.3018 1.5005 1.7852 6.8514 6.8723 7.6791 7.7335 8.0959 8.1759 10.5982 10.5984 11.7352 11.7743 12.0425 12.5853 14.8545 15.0888 15.9953 16.0482 16.7623 16.8403 17.9481 17.9606 19.0200 19.0656 19.6826 19.8110 k = 0.3333 0.5774 0.3092 ( 1806 PWs) bands (ev): -51.3767 -51.3767 -24.5070 -24.4922 -16.4179 -16.3939 -15.8884 -15.7970 -5.2796 -5.2453 1.5041 1.7885 6.7330 6.7507 7.6565 7.7093 8.0602 8.1413 10.5821 10.5827 11.7638 11.8017 12.0674 12.6147 14.9028 15.1403 16.0250 16.0775 16.7651 16.8397 17.9470 17.9643 19.0690 19.1134 19.6914 19.8195 k = 0.3333 0.5774 0.3207 ( 1806 PWs) bands (ev): -51.3767 -51.3767 -24.5079 -24.4928 -16.4254 -16.4011 -15.8887 -15.7958 -5.2241 -5.1904 1.5077 1.7917 6.6193 6.6344 7.6353 7.6862 8.0268 8.1090 10.5666 10.5676 11.7896 11.8262 12.0912 12.6424 14.9538 15.1948 16.0563 16.1080 16.7615 16.8335 17.9446 17.9678 19.1170 19.1601 19.6993 19.8269 k = 0.3333 0.5774 0.3322 ( 1806 PWs) bands (ev): -51.3767 -51.3767 -24.5089 -24.4934 -16.4324 -16.4079 -15.8889 -15.7947 -5.1707 -5.1376 1.5111 1.7947 6.5111 6.5239 7.6154 7.6645 7.9958 8.0789 10.5520 10.5534 11.8126 11.8479 12.1136 12.6684 15.0071 15.2518 16.0886 16.1390 16.7516 16.8219 17.9411 17.9712 19.1635 19.2055 19.7062 19.8334 k = 0.3333 0.5774 0.3436 ( 1806 PWs) bands (ev): -51.3767 -51.3767 -24.5097 -24.4940 -16.4391 -16.4144 -15.8892 -15.7936 -5.1197 -5.0873 1.5144 1.7976 6.4090 6.4198 7.5970 7.6441 7.9671 8.0512 10.5382 10.5400 11.8331 11.8671 12.1345 12.6925 15.0622 15.3113 16.1214 16.1701 16.7355 16.8052 17.9367 17.9745 19.2084 19.2494 19.7119 19.8389 k = 0.3333 0.5774 0.3551 ( 1806 PWs) bands (ev): -51.3767 -51.3767 -24.5105 -24.4946 -16.4453 -16.4203 -15.8894 -15.7927 -5.0716 -5.0397 1.5175 1.8003 6.3135 6.3227 7.5800 7.6252 7.9408 8.0257 10.5254 10.5275 11.8512 11.8839 12.1540 12.7147 15.1189 15.3727 16.1542 16.2004 16.7135 16.7839 17.9317 17.9780 19.2513 19.2914 19.7164 19.8433 k = 0.3333 0.5774 0.3665 ( 1800 PWs) bands (ev): -51.3766 -51.3766 -24.5113 -24.4950 -16.4510 -16.4258 -15.8896 -15.7918 -5.0267 -4.9953 1.5204 1.8028 6.2254 6.2330 7.5645 7.6079 7.9169 8.0027 10.5136 10.5160 11.8669 11.8984 12.1718 12.7348 15.1763 15.4357 16.1864 16.2295 16.6860 16.7589 17.9262 17.9816 19.2920 19.3313 19.7196 19.8465 k = 0.3333 0.5774 0.3780 ( 1806 PWs) bands (ev): -51.3766 -51.3766 -24.5120 -24.4955 -16.4561 -16.4308 -15.8898 -15.7909 -4.9854 -4.9545 1.5231 1.8051 6.1450 6.1512 7.5504 7.5921 7.8955 7.9820 10.5029 10.5055 11.8806 11.9108 12.1879 12.7529 15.2338 15.4999 16.2173 16.2566 16.6534 16.7308 17.9204 17.9852 19.3300 19.3689 19.7214 19.8487 k = 0.3333 0.5774 0.3894 ( 1815 PWs) bands (ev): -51.3767 -51.3766 -24.5126 -24.4959 -16.4608 -16.4353 -15.8900 -15.7902 -4.9480 -4.9176 1.5256 1.8071 6.0729 6.0779 7.5379 7.5781 7.8765 7.9637 10.4933 10.4962 11.8922 11.9214 12.2022 12.7688 15.2905 15.5644 16.2465 16.2809 16.6164 16.7008 17.9146 17.9889 19.3650 19.4040 19.7220 19.8499 k = 0.3333 0.5774 0.4009 ( 1809 PWs) bands (ev): -51.3766 -51.3766 -24.5131 -24.4963 -16.4648 -16.4392 -15.8901 -15.7896 -4.9149 -4.8849 1.5278 1.8089 6.0095 6.0135 7.5270 7.5658 7.8600 7.9478 10.4849 10.4880 11.9020 11.9302 12.2147 12.7826 15.3452 15.6285 16.2732 16.3017 16.5760 16.6706 17.9089 17.9925 19.3966 19.4361 19.7212 19.8502 k = 0.3333 0.5774 0.4123 ( 1809 PWs) bands (ev): -51.3766 -51.3766 -24.5136 -24.4966 -16.4683 -16.4426 -15.8903 -15.7890 -4.8863 -4.8566 1.5297 1.8105 5.9551 5.9582 7.5177 7.5553 7.8460 7.9343 10.4777 10.4810 11.9101 11.9374 12.2254 12.7943 15.3965 15.6911 16.2969 16.3184 16.5333 16.6415 17.9037 17.9959 19.4245 19.4650 19.7193 19.8497 k = 0.3333 0.5774 0.4238 ( 1809 PWs) bands (ev): -51.3766 -51.3766 -24.5140 -24.4968 -16.4711 -16.4453 -15.8904 -15.7885 -4.8625 -4.8332 1.5313 1.8117 5.9101 5.9126 7.5101 7.5467 7.8346 7.9233 10.4718 10.4752 11.9165 11.9431 12.2342 12.8039 15.4428 15.7503 16.3171 16.3304 16.4902 16.6156 17.8991 17.9990 19.4483 19.4901 19.7164 19.8487 k = 0.3333 0.5774 0.4352 ( 1800 PWs) bands (ev): -51.3766 -51.3766 -24.5143 -24.4970 -16.4733 -16.4475 -15.8905 -15.7882 -4.8438 -4.8147 1.5325 1.8127 5.8749 5.8767 7.5041 7.5399 7.8257 7.9147 10.4672 10.4707 11.9214 11.9475 12.2410 12.8113 15.4821 15.8039 16.3334 16.3377 16.4491 16.5944 17.8954 18.0015 19.4673 19.5110 19.7131 19.8475 k = 0.3333 0.5774 0.4467 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5145 -24.4972 -16.4749 -16.4490 -15.8905 -15.7879 -4.8303 -4.8014 1.5334 1.8135 5.8495 5.8510 7.4998 7.5351 7.8193 7.9086 10.4638 10.4675 11.9249 11.9505 12.2459 12.8166 15.5124 15.8482 16.3411 16.3453 16.4137 16.5792 17.8925 18.0035 19.4814 19.5269 19.7098 19.8463 k = 0.3333 0.5774 0.4581 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5146 -24.4972 -16.4759 -16.4499 -15.8906 -15.7878 -4.8222 -4.7933 1.5340 1.8139 5.8342 5.8355 7.4972 7.5322 7.8155 7.9049 10.4618 10.4655 11.9269 11.9523 12.2488 12.8198 15.5315 15.8783 16.3420 16.3526 16.3889 16.5702 17.8908 18.0047 19.4900 19.5369 19.7074 19.8455 k = 0.3333 0.5774 0.4696 ( 1794 PWs) bands (ev): -51.3766 -51.3766 -24.5147 -24.4973 -16.4762 -16.4502 -15.8906 -15.7877 -4.8194 -4.7906 1.5342 1.8140 5.8291 5.8303 7.4964 7.5312 7.8142 7.9036 10.4612 10.4649 11.9276 11.9529 12.2498 12.8208 15.5381 15.8891 16.3421 16.3550 16.3799 16.5672 17.8902 18.0051 19.4929 19.5404 19.7064 19.8452 Writing output data file ZrTaNO.save init_run : 0.63s CPU 0.39s WALL ( 1 calls) electrons : 208.49s CPU 118.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 208.44s CPU 118.17s 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 : 0.13s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.20s CPU 0.22s WALL ( 406 calls) cegterg : 191.43s CPU 107.34s WALL ( 470 calls) Called by sum_band: Called by *egterg: h_psi : 76.50s CPU 46.32s WALL ( 8184 calls) s_psi : 3.68s CPU 2.05s WALL ( 8184 calls) g_psi : 0.15s CPU 0.09s WALL ( 7308 calls) cdiaghg : 108.90s CPU 58.07s WALL ( 7714 calls) cegterg:over : 6.75s CPU 3.59s WALL ( 7308 calls) cegterg:upda : 3.83s CPU 2.21s WALL ( 7308 calls) cegterg:last : 2.16s CPU 1.26s WALL ( 1383 calls) cdiaghg:chol : 5.14s CPU 2.80s WALL ( 7714 calls) cdiaghg:inve : 2.82s CPU 1.61s WALL ( 7714 calls) cdiaghg:para : 5.50s CPU 3.01s WALL ( 15428 calls) Called by h_psi: h_psi:vloc : 66.49s CPU 40.52s WALL ( 8184 calls) h_psi:vnl : 9.86s CPU 5.72s WALL ( 8184 calls) add_vuspsi : 5.52s CPU 3.19s WALL ( 8184 calls) General routines calbec : 4.27s CPU 2.50s WALL ( 8184 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 62.15s CPU 37.97s WALL ( 675552 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.38s CPU 0.37s WALL ( 812 calls) Parallel routines fft_scatter : 38.41s CPU 22.73s WALL ( 675575 calls) PWSCF : 3m39.67s CPU 2m21.08s WALL This run was terminated on: 4:27:46 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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