Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:57: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfSe2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 18 5 956 580 95 Max 25 19 6 961 602 100 Sum 871 649 199 34529 21315 3465 bravais-lattice index = 14 lattice parameter (alat) = 6.9296 a.u. unit-cell volume = 471.8344 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.929625 celldm(2)= 1.000000 celldm(3)= 1.637306 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 1.637306 ) 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 0.610759 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 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 Hf 12.00 178.49000 Hf( 1.00) Se 6.00 78.96000 Se( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 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. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 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. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 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_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0113104), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0226207), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0339311), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0452414), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0565518), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0678622), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0791725), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0904829), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1017933), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1131036), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1244140), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1357243), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1470347), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1583451), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1696554), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1809658), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1922761), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.2035865), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.2148969), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.2262072), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.2375176), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.2488279), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.2601383), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.2714487), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.2827590), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.2940694), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.3053797), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.3053797), wk = 0.0027473 k( 170) = ( 0.0100000 0.0057735 0.3053797), wk = 0.0027473 k( 171) = ( 0.0200000 0.0115470 0.3053797), wk = 0.0027473 k( 172) = ( 0.0300000 0.0173205 0.3053797), wk = 0.0027473 k( 173) = ( 0.0400000 0.0230940 0.3053797), wk = 0.0027473 k( 174) = ( 0.0500000 0.0288675 0.3053797), wk = 0.0027473 k( 175) = ( 0.0600000 0.0346410 0.3053797), wk = 0.0027473 k( 176) = ( 0.0700000 0.0404145 0.3053797), wk = 0.0027473 k( 177) = ( 0.0800000 0.0461880 0.3053797), wk = 0.0027473 k( 178) = ( 0.0900000 0.0519615 0.3053797), wk = 0.0027473 k( 179) = ( 0.1000000 0.0577350 0.3053797), wk = 0.0027473 k( 180) = ( 0.1100000 0.0635085 0.3053797), wk = 0.0027473 k( 181) = ( 0.1200000 0.0692820 0.3053797), wk = 0.0027473 k( 182) = ( 0.1300000 0.0750555 0.3053797), wk = 0.0027473 k( 183) = ( 0.1400000 0.0808290 0.3053797), wk = 0.0027473 k( 184) = ( 0.1500000 0.0866025 0.3053797), wk = 0.0027473 k( 185) = ( 0.1600000 0.0923760 0.3053797), wk = 0.0027473 k( 186) = ( 0.1700000 0.0981495 0.3053797), wk = 0.0027473 k( 187) = ( 0.1800000 0.1039230 0.3053797), wk = 0.0027473 k( 188) = ( 0.1900000 0.1096966 0.3053797), wk = 0.0027473 k( 189) = ( 0.2000000 0.1154701 0.3053797), wk = 0.0027473 k( 190) = ( 0.2100000 0.1212436 0.3053797), wk = 0.0027473 k( 191) = ( 0.2200000 0.1270171 0.3053797), wk = 0.0027473 k( 192) = ( 0.2300000 0.1327906 0.3053797), wk = 0.0027473 k( 193) = ( 0.2400000 0.1385641 0.3053797), wk = 0.0027473 k( 194) = ( 0.2500000 0.1443376 0.3053797), wk = 0.0027473 k( 195) = ( 0.2600000 0.1501111 0.3053797), wk = 0.0027473 k( 196) = ( 0.2700000 0.1558846 0.3053797), wk = 0.0027473 k( 197) = ( 0.2800000 0.1616581 0.3053797), wk = 0.0027473 k( 198) = ( 0.2900000 0.1674316 0.3053797), wk = 0.0027473 k( 199) = ( 0.3000000 0.1732051 0.3053797), wk = 0.0027473 k( 200) = ( 0.3100000 0.1789786 0.3053797), wk = 0.0027473 k( 201) = ( 0.3200000 0.1847521 0.3053797), wk = 0.0027473 k( 202) = ( 0.3300000 0.1905256 0.3053797), wk = 0.0027473 k( 203) = ( 0.3400000 0.1962991 0.3053797), wk = 0.0027473 k( 204) = ( 0.3500000 0.2020726 0.3053797), wk = 0.0027473 k( 205) = ( 0.3600000 0.2078461 0.3053797), wk = 0.0027473 k( 206) = ( 0.3700000 0.2136196 0.3053797), wk = 0.0027473 k( 207) = ( 0.3800000 0.2193931 0.3053797), wk = 0.0027473 k( 208) = ( 0.3900000 0.2251666 0.3053797), wk = 0.0027473 k( 209) = ( 0.4000000 0.2309401 0.3053797), wk = 0.0027473 k( 210) = ( 0.4100000 0.2367136 0.3053797), wk = 0.0027473 k( 211) = ( 0.4200000 0.2424871 0.3053797), wk = 0.0027473 k( 212) = ( 0.4300000 0.2482606 0.3053797), wk = 0.0027473 k( 213) = ( 0.4400000 0.2540341 0.3053797), wk = 0.0027473 k( 214) = ( 0.4500000 0.2598076 0.3053797), wk = 0.0027473 k( 215) = ( 0.4600000 0.2655811 0.3053797), wk = 0.0027473 k( 216) = ( 0.4700000 0.2713546 0.3053797), wk = 0.0027473 k( 217) = ( 0.4800000 0.2771281 0.3053797), wk = 0.0027473 k( 218) = ( 0.4900000 0.2829016 0.3053797), wk = 0.0027473 k( 219) = ( 0.5000000 0.2886751 0.3053797), wk = 0.0027473 k( 220) = ( 0.5000000 0.2886751 0.3053797), wk = 0.0027473 k( 221) = ( 0.4942529 0.2986294 0.3053797), wk = 0.0027473 k( 222) = ( 0.4885058 0.3085838 0.3053797), wk = 0.0027473 k( 223) = ( 0.4827586 0.3185381 0.3053797), wk = 0.0027473 k( 224) = ( 0.4770115 0.3284924 0.3053797), wk = 0.0027473 k( 225) = ( 0.4712644 0.3384467 0.3053797), wk = 0.0027473 k( 226) = ( 0.4655172 0.3484010 0.3053797), wk = 0.0027473 k( 227) = ( 0.4597701 0.3583553 0.3053797), wk = 0.0027473 k( 228) = ( 0.4540230 0.3683097 0.3053797), wk = 0.0027473 k( 229) = ( 0.4482759 0.3782640 0.3053797), wk = 0.0027473 k( 230) = ( 0.4425287 0.3882183 0.3053797), wk = 0.0027473 k( 231) = ( 0.4367816 0.3981726 0.3053797), wk = 0.0027473 k( 232) = ( 0.4310345 0.4081269 0.3053797), wk = 0.0027473 k( 233) = ( 0.4252874 0.4180812 0.3053797), wk = 0.0027473 k( 234) = ( 0.4195402 0.4280355 0.3053797), wk = 0.0027473 k( 235) = ( 0.4137931 0.4379899 0.3053797), wk = 0.0027473 k( 236) = ( 0.4080460 0.4479442 0.3053797), wk = 0.0027473 k( 237) = ( 0.4022988 0.4578985 0.3053797), wk = 0.0027473 k( 238) = ( 0.3965517 0.4678528 0.3053797), wk = 0.0027473 k( 239) = ( 0.3908046 0.4778071 0.3053797), wk = 0.0027473 k( 240) = ( 0.3850575 0.4877614 0.3053797), wk = 0.0027473 k( 241) = ( 0.3793103 0.4977157 0.3053797), wk = 0.0027473 k( 242) = ( 0.3735632 0.5076701 0.3053797), wk = 0.0027473 k( 243) = ( 0.3678161 0.5176244 0.3053797), wk = 0.0027473 k( 244) = ( 0.3620690 0.5275787 0.3053797), wk = 0.0027473 k( 245) = ( 0.3563218 0.5375330 0.3053797), wk = 0.0027473 k( 246) = ( 0.3505747 0.5474873 0.3053797), wk = 0.0027473 k( 247) = ( 0.3448276 0.5574416 0.3053797), wk = 0.0027473 k( 248) = ( 0.3390805 0.5673960 0.3053797), wk = 0.0027473 k( 249) = ( 0.3333333 0.5773503 0.3053797), wk = 0.0027473 k( 250) = ( 0.3333333 0.5773503 0.3053797), wk = 0.0027473 k( 251) = ( 0.3275862 0.5673960 0.3053797), wk = 0.0027473 k( 252) = ( 0.3218391 0.5574416 0.3053797), wk = 0.0027473 k( 253) = ( 0.3160920 0.5474873 0.3053797), wk = 0.0027473 k( 254) = ( 0.3103448 0.5375330 0.3053797), wk = 0.0027473 k( 255) = ( 0.3045977 0.5275787 0.3053797), wk = 0.0027473 k( 256) = ( 0.2988506 0.5176244 0.3053797), wk = 0.0027473 k( 257) = ( 0.2931034 0.5076701 0.3053797), wk = 0.0027473 k( 258) = ( 0.2873563 0.4977157 0.3053797), wk = 0.0027473 k( 259) = ( 0.2816092 0.4877614 0.3053797), wk = 0.0027473 k( 260) = ( 0.2758621 0.4778071 0.3053797), wk = 0.0027473 k( 261) = ( 0.2701149 0.4678528 0.3053797), wk = 0.0027473 k( 262) = ( 0.2643678 0.4578985 0.3053797), wk = 0.0027473 k( 263) = ( 0.2586207 0.4479442 0.3053797), wk = 0.0027473 k( 264) = ( 0.2528736 0.4379899 0.3053797), wk = 0.0027473 k( 265) = ( 0.2471264 0.4280355 0.3053797), wk = 0.0027473 k( 266) = ( 0.2413793 0.4180812 0.3053797), wk = 0.0027473 k( 267) = ( 0.2356322 0.4081269 0.3053797), wk = 0.0027473 k( 268) = ( 0.2298851 0.3981726 0.3053797), wk = 0.0027473 k( 269) = ( 0.2241379 0.3882183 0.3053797), wk = 0.0027473 k( 270) = ( 0.2183908 0.3782640 0.3053797), wk = 0.0027473 k( 271) = ( 0.2126437 0.3683097 0.3053797), wk = 0.0027473 k( 272) = ( 0.2068966 0.3583553 0.3053797), wk = 0.0027473 k( 273) = ( 0.2011494 0.3484010 0.3053797), wk = 0.0027473 k( 274) = ( 0.1954023 0.3384467 0.3053797), wk = 0.0027473 k( 275) = ( 0.1896552 0.3284924 0.3053797), wk = 0.0027473 k( 276) = ( 0.1839080 0.3185381 0.3053797), wk = 0.0027473 k( 277) = ( 0.1781609 0.3085838 0.3053797), wk = 0.0027473 k( 278) = ( 0.1724138 0.2986294 0.3053797), wk = 0.0027473 k( 279) = ( 0.1666667 0.2886751 0.3053797), wk = 0.0027473 k( 280) = ( 0.1609195 0.2787208 0.3053797), wk = 0.0027473 k( 281) = ( 0.1551724 0.2687665 0.3053797), wk = 0.0027473 k( 282) = ( 0.1494253 0.2588122 0.3053797), wk = 0.0027473 k( 283) = ( 0.1436782 0.2488579 0.3053797), wk = 0.0027473 k( 284) = ( 0.1379310 0.2389036 0.3053797), wk = 0.0027473 k( 285) = ( 0.1321839 0.2289492 0.3053797), wk = 0.0027473 k( 286) = ( 0.1264368 0.2189949 0.3053797), wk = 0.0027473 k( 287) = ( 0.1206897 0.2090406 0.3053797), wk = 0.0027473 k( 288) = ( 0.1149425 0.1990863 0.3053797), wk = 0.0027473 k( 289) = ( 0.1091954 0.1891320 0.3053797), wk = 0.0027473 k( 290) = ( 0.1034483 0.1791777 0.3053797), wk = 0.0027473 k( 291) = ( 0.0977012 0.1692234 0.3053797), wk = 0.0027473 k( 292) = ( 0.0919540 0.1592690 0.3053797), wk = 0.0027473 k( 293) = ( 0.0862069 0.1493147 0.3053797), wk = 0.0027473 k( 294) = ( 0.0804598 0.1393604 0.3053797), wk = 0.0027473 k( 295) = ( 0.0747126 0.1294061 0.3053797), wk = 0.0027473 k( 296) = ( 0.0689655 0.1194518 0.3053797), wk = 0.0027473 k( 297) = ( 0.0632184 0.1094975 0.3053797), wk = 0.0027473 k( 298) = ( 0.0574713 0.0995431 0.3053797), wk = 0.0027473 k( 299) = ( 0.0517241 0.0895888 0.3053797), wk = 0.0027473 k( 300) = ( 0.0459770 0.0796345 0.3053797), wk = 0.0027473 k( 301) = ( 0.0402299 0.0696802 0.3053797), wk = 0.0027473 k( 302) = ( 0.0344828 0.0597259 0.3053797), wk = 0.0027473 k( 303) = ( 0.0287356 0.0497716 0.3053797), wk = 0.0027473 k( 304) = ( 0.0229885 0.0398173 0.3053797), wk = 0.0027473 k( 305) = ( 0.0172414 0.0298629 0.3053797), wk = 0.0027473 k( 306) = ( 0.0114942 0.0199086 0.3053797), wk = 0.0027473 k( 307) = ( 0.0057471 0.0099543 0.3053797), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.3053797), wk = 0.0027473 k( 309) = ( 0.5000000 0.2886751 0.3053797), wk = 0.0027473 k( 310) = ( 0.5000000 0.2886751 0.2940694), wk = 0.0027473 k( 311) = ( 0.5000000 0.2886751 0.2827590), wk = 0.0027473 k( 312) = ( 0.5000000 0.2886751 0.2714487), wk = 0.0027473 k( 313) = ( 0.5000000 0.2886751 0.2601383), wk = 0.0027473 k( 314) = ( 0.5000000 0.2886751 0.2488279), wk = 0.0027473 k( 315) = ( 0.5000000 0.2886751 0.2375176), wk = 0.0027473 k( 316) = ( 0.5000000 0.2886751 0.2262072), wk = 0.0027473 k( 317) = ( 0.5000000 0.2886751 0.2148969), wk = 0.0027473 k( 318) = ( 0.5000000 0.2886751 0.2035865), wk = 0.0027473 k( 319) = ( 0.5000000 0.2886751 0.1922761), wk = 0.0027473 k( 320) = ( 0.5000000 0.2886751 0.1809658), wk = 0.0027473 k( 321) = ( 0.5000000 0.2886751 0.1696554), wk = 0.0027473 k( 322) = ( 0.5000000 0.2886751 0.1583451), wk = 0.0027473 k( 323) = ( 0.5000000 0.2886751 0.1470347), wk = 0.0027473 k( 324) = ( 0.5000000 0.2886751 0.1357243), wk = 0.0027473 k( 325) = ( 0.5000000 0.2886751 0.1244140), wk = 0.0027473 k( 326) = ( 0.5000000 0.2886751 0.1131036), wk = 0.0027473 k( 327) = ( 0.5000000 0.2886751 0.1017933), wk = 0.0027473 k( 328) = ( 0.5000000 0.2886751 0.0904829), wk = 0.0027473 k( 329) = ( 0.5000000 0.2886751 0.0791725), wk = 0.0027473 k( 330) = ( 0.5000000 0.2886751 0.0678622), wk = 0.0027473 k( 331) = ( 0.5000000 0.2886751 0.0565518), wk = 0.0027473 k( 332) = ( 0.5000000 0.2886751 0.0452414), wk = 0.0027473 k( 333) = ( 0.5000000 0.2886751 0.0339311), wk = 0.0027473 k( 334) = ( 0.5000000 0.2886751 0.0226207), wk = 0.0027473 k( 335) = ( 0.5000000 0.2886751 0.0113104), wk = 0.0027473 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.5773503 0.0113104), wk = 0.0027473 k( 339) = ( 0.3333333 0.5773503 0.0226207), wk = 0.0027473 k( 340) = ( 0.3333333 0.5773503 0.0339311), wk = 0.0027473 k( 341) = ( 0.3333333 0.5773503 0.0452414), wk = 0.0027473 k( 342) = ( 0.3333333 0.5773503 0.0565518), wk = 0.0027473 k( 343) = ( 0.3333333 0.5773503 0.0678622), wk = 0.0027473 k( 344) = ( 0.3333333 0.5773503 0.0791725), wk = 0.0027473 k( 345) = ( 0.3333333 0.5773503 0.0904829), wk = 0.0027473 k( 346) = ( 0.3333333 0.5773503 0.1017933), wk = 0.0027473 k( 347) = ( 0.3333333 0.5773503 0.1131036), wk = 0.0027473 k( 348) = ( 0.3333333 0.5773503 0.1244140), wk = 0.0027473 k( 349) = ( 0.3333333 0.5773503 0.1357243), wk = 0.0027473 k( 350) = ( 0.3333333 0.5773503 0.1470347), wk = 0.0027473 k( 351) = ( 0.3333333 0.5773503 0.1583451), wk = 0.0027473 k( 352) = ( 0.3333333 0.5773503 0.1696554), wk = 0.0027473 k( 353) = ( 0.3333333 0.5773503 0.1809658), wk = 0.0027473 k( 354) = ( 0.3333333 0.5773503 0.1922761), wk = 0.0027473 k( 355) = ( 0.3333333 0.5773503 0.2035865), wk = 0.0027473 k( 356) = ( 0.3333333 0.5773503 0.2148969), wk = 0.0027473 k( 357) = ( 0.3333333 0.5773503 0.2262072), wk = 0.0027473 k( 358) = ( 0.3333333 0.5773503 0.2375176), wk = 0.0027473 k( 359) = ( 0.3333333 0.5773503 0.2488279), wk = 0.0027473 k( 360) = ( 0.3333333 0.5773503 0.2601383), wk = 0.0027473 k( 361) = ( 0.3333333 0.5773503 0.2714487), wk = 0.0027473 k( 362) = ( 0.3333333 0.5773503 0.2827590), wk = 0.0027473 k( 363) = ( 0.3333333 0.5773503 0.2940694), wk = 0.0027473 k( 364) = ( 0.3333333 0.5773503 0.3053797), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 -0.0000000 0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 -0.0000000 0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 -0.0000000 0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 -0.0000000 0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0000000 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 -0.0000000 0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.0000000 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 -0.0000000 0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 -0.0000000 0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 -0.0000000 0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.0000000 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.0114942 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.2068965 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.2873563 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.3045977 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.2701149 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.2471264 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.2356322 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.2298851 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.2126437 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.2011494 -0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.1781609 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.1436782 0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.1321839 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1149425 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1091954 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.0977012 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.0632184 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0287356 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0114942 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.0100000 -0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0027473 k( 204) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0027473 k( 205) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0027473 k( 206) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0027473 k( 207) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0027473 k( 208) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0027473 k( 209) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027473 k( 210) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0027473 k( 211) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0027473 k( 212) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0027473 k( 213) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0027473 k( 214) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0027473 k( 215) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0027473 k( 216) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0027473 k( 217) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0027473 k( 219) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 220) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 221) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0027473 k( 222) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027473 k( 223) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027473 k( 224) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027473 k( 225) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027473 k( 226) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027473 k( 227) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027473 k( 228) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027473 k( 229) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027473 k( 230) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027473 k( 231) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027473 k( 232) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027473 k( 233) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027473 k( 234) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027473 k( 235) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027473 k( 236) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027473 k( 237) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027473 k( 238) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027473 k( 239) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027473 k( 240) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027473 k( 241) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027473 k( 242) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027473 k( 243) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027473 k( 244) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027473 k( 245) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027473 k( 246) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027473 k( 247) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027473 k( 248) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027473 k( 249) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 251) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027473 k( 252) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027473 k( 253) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027473 k( 254) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027473 k( 255) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027473 k( 256) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027473 k( 257) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027473 k( 258) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027473 k( 259) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027473 k( 260) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027473 k( 261) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027473 k( 262) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027473 k( 263) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027473 k( 264) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027473 k( 265) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027473 k( 266) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027473 k( 267) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027473 k( 268) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027473 k( 269) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027473 k( 270) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027473 k( 271) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027473 k( 272) = ( 0.2068966 0.2068965 0.5000000), wk = 0.0027473 k( 273) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027473 k( 274) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027473 k( 275) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027473 k( 276) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0027473 k( 277) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027473 k( 278) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027473 k( 279) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027473 k( 280) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027473 k( 281) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027473 k( 282) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027473 k( 283) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027473 k( 284) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027473 k( 285) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027473 k( 286) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027473 k( 287) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027473 k( 288) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027473 k( 289) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027473 k( 290) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027473 k( 291) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0027473 k( 292) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027473 k( 293) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027473 k( 294) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027473 k( 295) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027473 k( 296) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027473 k( 297) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027473 k( 298) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027473 k( 299) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027473 k( 300) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027473 k( 301) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027473 k( 302) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027473 k( 303) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027473 k( 304) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027473 k( 305) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027473 k( 306) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0027473 k( 307) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 309) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 310) = ( 0.5000000 -0.0000000 0.4814815), wk = 0.0027473 k( 311) = ( 0.5000000 -0.0000000 0.4629630), wk = 0.0027473 k( 312) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0027473 k( 313) = ( 0.5000000 -0.0000000 0.4259259), wk = 0.0027473 k( 314) = ( 0.5000000 -0.0000000 0.4074074), wk = 0.0027473 k( 315) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0027473 k( 316) = ( 0.5000000 -0.0000000 0.3703704), wk = 0.0027473 k( 317) = ( 0.5000000 -0.0000000 0.3518519), wk = 0.0027473 k( 318) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0027473 k( 319) = ( 0.5000000 -0.0000000 0.3148148), wk = 0.0027473 k( 320) = ( 0.5000000 -0.0000000 0.2962963), wk = 0.0027473 k( 321) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0027473 k( 322) = ( 0.5000000 -0.0000000 0.2592593), wk = 0.0027473 k( 323) = ( 0.5000000 -0.0000000 0.2407407), wk = 0.0027473 k( 324) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0027473 k( 325) = ( 0.5000000 -0.0000000 0.2037037), wk = 0.0027473 k( 326) = ( 0.5000000 -0.0000000 0.1851852), wk = 0.0027473 k( 327) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0027473 k( 328) = ( 0.5000000 -0.0000000 0.1481482), wk = 0.0027473 k( 329) = ( 0.5000000 -0.0000000 0.1296296), wk = 0.0027473 k( 330) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0027473 k( 331) = ( 0.5000000 -0.0000000 0.0925926), wk = 0.0027473 k( 332) = ( 0.5000000 -0.0000000 0.0740741), wk = 0.0027473 k( 333) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0027473 k( 334) = ( 0.5000000 -0.0000000 0.0370370), wk = 0.0027473 k( 335) = ( 0.5000000 -0.0000000 0.0185185), wk = 0.0027473 k( 336) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027473 k( 339) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027473 k( 340) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027473 k( 341) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027473 k( 342) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027473 k( 343) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027473 k( 344) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027473 k( 345) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027473 k( 346) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027473 k( 347) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027473 k( 348) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027473 k( 349) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027473 k( 350) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027473 k( 351) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027473 k( 352) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027473 k( 353) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027473 k( 354) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027473 k( 355) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027473 k( 356) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027473 k( 357) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027473 k( 358) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027473 k( 359) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027473 k( 360) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027473 k( 361) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027473 k( 362) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027473 k( 363) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027473 k( 364) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 Dense grid: 34529 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 21315 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 156, 32) NL pseudopotentials 0.07 Mb ( 78, 62) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 960) G-vector shells 0.00 Mb ( 442) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 156, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) The potential is recalculated from file : ./HfSe2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.6 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 3.9 secs Computing kpt #: 13 total cpu time spent up to now is 4.1 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.4 secs Computing kpt #: 16 total cpu time spent up to now is 4.5 secs Computing kpt #: 17 total cpu time spent up to now is 4.7 secs Computing kpt #: 18 total cpu time spent up to now is 4.9 secs Computing kpt #: 19 total cpu time spent up to now is 5.0 secs Computing kpt #: 20 total cpu time spent up to now is 5.2 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.6 secs Computing kpt #: 23 total cpu time spent up to now is 5.8 secs Computing kpt #: 24 total cpu time spent up to now is 6.0 secs Computing kpt #: 25 total cpu time spent up to now is 6.1 secs Computing kpt #: 26 total cpu time spent up to now is 6.3 secs Computing kpt #: 27 total cpu time spent up to now is 6.5 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.8 secs Computing kpt #: 30 total cpu time spent up to now is 7.0 secs Computing kpt #: 31 total cpu time spent up to now is 7.2 secs Computing kpt #: 32 total cpu time spent up to now is 7.3 secs Computing kpt #: 33 total cpu time spent up to now is 7.5 secs Computing kpt #: 34 total cpu time spent up to now is 7.7 secs Computing kpt #: 35 total cpu time spent up to now is 7.9 secs Computing kpt #: 36 total cpu time spent up to now is 8.0 secs Computing kpt #: 37 total cpu time spent up to now is 8.2 secs Computing kpt #: 38 total cpu time spent up to now is 8.4 secs Computing kpt #: 39 total cpu time spent up to now is 8.5 secs Computing kpt #: 40 total cpu time spent up to now is 8.7 secs Computing kpt #: 41 total cpu time spent up to now is 8.8 secs Computing kpt #: 42 total cpu time spent up to now is 9.0 secs Computing kpt #: 43 total cpu time spent up to now is 9.2 secs Computing kpt #: 44 total cpu time spent up to now is 9.3 secs Computing kpt #: 45 total cpu time spent up to now is 9.5 secs Computing kpt #: 46 total cpu time spent up to now is 9.6 secs Computing kpt #: 47 total cpu time spent up to now is 9.8 secs Computing kpt #: 48 total cpu time spent up to now is 10.0 secs Computing kpt #: 49 total cpu time spent up to now is 10.2 secs Computing kpt #: 50 total cpu time spent up to now is 10.4 secs Computing kpt #: 51 total cpu time spent up to now is 10.5 secs Computing kpt #: 52 total cpu time spent up to now is 10.7 secs Computing kpt #: 53 total cpu time spent up to now is 10.8 secs Computing kpt #: 54 total cpu time spent up to now is 11.0 secs Computing kpt #: 55 total cpu time spent up to now is 11.2 secs Computing kpt #: 56 total cpu time spent up to now is 11.3 secs Computing kpt #: 57 total cpu time spent up to now is 11.5 secs Computing kpt #: 58 total cpu time spent up to now is 11.7 secs Computing kpt #: 59 total cpu time spent up to now is 11.8 secs Computing kpt #: 60 total cpu time spent up to now is 12.0 secs Computing kpt #: 61 total cpu time spent up to now is 12.2 secs Computing kpt #: 62 total cpu time spent up to now is 12.3 secs Computing kpt #: 63 total cpu time spent up to now is 12.5 secs Computing kpt #: 64 total cpu time spent up to now is 12.6 secs Computing kpt #: 65 total cpu time spent up to now is 12.8 secs Computing kpt #: 66 total cpu time spent up to now is 13.0 secs Computing kpt #: 67 total cpu time spent up to now is 13.1 secs Computing kpt #: 68 total cpu time spent up to now is 13.2 secs Computing kpt #: 69 total cpu time spent up to now is 13.4 secs Computing kpt #: 70 total cpu time spent up to now is 13.5 secs Computing kpt #: 71 total cpu time spent up to now is 13.7 secs Computing kpt #: 72 total cpu time spent up to now is 13.8 secs Computing kpt #: 73 total cpu time spent up to now is 14.0 secs Computing kpt #: 74 total cpu time spent up to now is 14.2 secs Computing kpt #: 75 total cpu time spent up to now is 14.3 secs Computing kpt #: 76 total cpu time spent up to now is 14.5 secs Computing kpt #: 77 total cpu time spent up to now is 14.6 secs Computing kpt #: 78 total cpu time spent up to now is 14.8 secs Computing kpt #: 79 total cpu time spent up to now is 14.9 secs Computing kpt #: 80 total cpu time spent up to now is 15.1 secs Computing kpt #: 81 total cpu time spent up to now is 15.2 secs Computing kpt #: 82 total cpu time spent up to now is 15.4 secs Computing kpt #: 83 total cpu time spent up to now is 15.5 secs Computing kpt #: 84 total cpu time spent up to now is 15.7 secs Computing kpt #: 85 total cpu time spent up to now is 15.9 secs Computing kpt #: 86 total cpu time spent up to now is 16.0 secs Computing kpt #: 87 total cpu time spent up to now is 16.2 secs Computing kpt #: 88 total cpu time spent up to now is 16.3 secs Computing kpt #: 89 total cpu time spent up to now is 16.4 secs Computing kpt #: 90 total cpu time spent up to now is 16.6 secs Computing kpt #: 91 total cpu time spent up to now is 16.7 secs Computing kpt #: 92 total cpu time spent up to now is 16.9 secs Computing kpt #: 93 total cpu time spent up to now is 17.0 secs Computing kpt #: 94 total cpu time spent up to now is 17.1 secs Computing kpt #: 95 total cpu time spent up to now is 17.3 secs Computing kpt #: 96 total cpu time spent up to now is 17.4 secs Computing kpt #: 97 total cpu time spent up to now is 17.6 secs Computing kpt #: 98 total cpu time spent up to now is 17.7 secs Computing kpt #: 99 total cpu time spent up to now is 17.8 secs Computing kpt #: 100 total cpu time spent up to now is 18.0 secs Computing kpt #: 101 total cpu time spent up to now is 18.1 secs Computing kpt #: 102 total cpu time spent up to now is 18.2 secs Computing kpt #: 103 total cpu time spent up to now is 18.3 secs Computing kpt #: 104 total cpu time spent up to now is 18.5 secs Computing kpt #: 105 total cpu time spent up to now is 18.6 secs Computing kpt #: 106 total cpu time spent up to now is 18.7 secs Computing kpt #: 107 total cpu time spent up to now is 18.8 secs Computing kpt #: 108 total cpu time spent up to now is 19.0 secs Computing kpt #: 109 total cpu time spent up to now is 19.1 secs Computing kpt #: 110 total cpu time spent up to now is 19.2 secs Computing kpt #: 111 total cpu time spent up to now is 19.4 secs Computing kpt #: 112 total cpu time spent up to now is 19.5 secs Computing kpt #: 113 total cpu time spent up to now is 19.6 secs Computing kpt #: 114 total cpu time spent up to now is 19.7 secs Computing kpt #: 115 total cpu time spent up to now is 19.9 secs Computing kpt #: 116 total cpu time spent up to now is 20.0 secs Computing kpt #: 117 total cpu time spent up to now is 20.1 secs Computing kpt #: 118 total cpu time spent up to now is 20.2 secs Computing kpt #: 119 total cpu time spent up to now is 20.4 secs Computing kpt #: 120 total cpu time spent up to now is 20.5 secs Computing kpt #: 121 total cpu time spent up to now is 20.7 secs Computing kpt #: 122 total cpu time spent up to now is 20.8 secs Computing kpt #: 123 total cpu time spent up to now is 21.0 secs Computing kpt #: 124 total cpu time spent up to now is 21.1 secs Computing kpt #: 125 total cpu time spent up to now is 21.3 secs Computing kpt #: 126 total cpu time spent up to now is 21.5 secs Computing kpt #: 127 total cpu time spent up to now is 21.7 secs Computing kpt #: 128 total cpu time spent up to now is 21.9 secs Computing kpt #: 129 total cpu time spent up to now is 22.0 secs Computing kpt #: 130 total cpu time spent up to now is 22.2 secs Computing kpt #: 131 total cpu time spent up to now is 22.4 secs Computing kpt #: 132 total cpu time spent up to now is 22.6 secs Computing kpt #: 133 total cpu time spent up to now is 22.8 secs Computing kpt #: 134 total cpu time spent up to now is 23.0 secs Computing kpt #: 135 total cpu time spent up to now is 23.2 secs Computing kpt #: 136 total cpu time spent up to now is 23.4 secs Computing kpt #: 137 total cpu time spent up to now is 23.7 secs Computing kpt #: 138 total cpu time spent up to now is 23.9 secs Computing kpt #: 139 total cpu time spent up to now is 24.2 secs Computing kpt #: 140 total cpu time spent up to now is 24.4 secs Computing kpt #: 141 total cpu time spent up to now is 24.6 secs Computing kpt #: 142 total cpu time spent up to now is 24.8 secs Computing kpt #: 143 total cpu time spent up to now is 25.0 secs Computing kpt #: 144 total cpu time spent up to now is 25.2 secs Computing kpt #: 145 total cpu time spent up to now is 25.5 secs Computing kpt #: 146 total cpu time spent up to now is 25.7 secs Computing kpt #: 147 total cpu time spent up to now is 25.9 secs Computing kpt #: 148 total cpu time spent up to now is 26.2 secs Computing kpt #: 149 total cpu time spent up to now is 26.4 secs Computing kpt #: 150 total cpu time spent up to now is 26.7 secs Computing kpt #: 151 total cpu time spent up to now is 26.9 secs Computing kpt #: 152 total cpu time spent up to now is 27.2 secs Computing kpt #: 153 total cpu time spent up to now is 27.4 secs Computing kpt #: 154 total cpu time spent up to now is 27.6 secs Computing kpt #: 155 total cpu time spent up to now is 27.8 secs Computing kpt #: 156 total cpu time spent up to now is 28.0 secs Computing kpt #: 157 total cpu time spent up to now is 28.2 secs Computing kpt #: 158 total cpu time spent up to now is 28.5 secs Computing kpt #: 159 total cpu time spent up to now is 28.7 secs Computing kpt #: 160 total cpu time spent up to now is 28.9 secs Computing kpt #: 161 total cpu time spent up to now is 29.1 secs Computing kpt #: 162 total cpu time spent up to now is 29.3 secs Computing kpt #: 163 total cpu time spent up to now is 29.5 secs Computing kpt #: 164 total cpu time spent up to now is 29.7 secs Computing kpt #: 165 total cpu time spent up to now is 29.9 secs Computing kpt #: 166 total cpu time spent up to now is 30.2 secs Computing kpt #: 167 total cpu time spent up to now is 30.3 secs Computing kpt #: 168 total cpu time spent up to now is 30.5 secs Computing kpt #: 169 total cpu time spent up to now is 30.7 secs Computing kpt #: 170 total cpu time spent up to now is 31.0 secs Computing kpt #: 171 total cpu time spent up to now is 31.1 secs Computing kpt #: 172 total cpu time spent up to now is 31.3 secs Computing kpt #: 173 total cpu time spent up to now is 31.5 secs Computing kpt #: 174 total cpu time spent up to now is 31.7 secs Computing kpt #: 175 total cpu time spent up to now is 31.8 secs Computing kpt #: 176 total cpu time spent up to now is 32.0 secs Computing kpt #: 177 total cpu time spent up to now is 32.1 secs Computing kpt #: 178 total cpu time spent up to now is 32.2 secs Computing kpt #: 179 total cpu time spent up to now is 32.4 secs Computing kpt #: 180 total cpu time spent up to now is 32.5 secs Computing kpt #: 181 total cpu time spent up to now is 32.6 secs Computing kpt #: 182 total cpu time spent up to now is 32.8 secs Computing kpt #: 183 total cpu time spent up to now is 32.9 secs Computing kpt #: 184 total cpu time spent up to now is 33.0 secs Computing kpt #: 185 total cpu time spent up to now is 33.2 secs Computing kpt #: 186 total cpu time spent up to now is 33.3 secs Computing kpt #: 187 total cpu time spent up to now is 33.4 secs Computing kpt #: 188 total cpu time spent up to now is 33.5 secs Computing kpt #: 189 total cpu time spent up to now is 33.7 secs Computing kpt #: 190 total cpu time spent up to now is 33.8 secs Computing kpt #: 191 total cpu time spent up to now is 33.9 secs Computing kpt #: 192 total cpu time spent up to now is 34.1 secs Computing kpt #: 193 total cpu time spent up to now is 34.2 secs Computing kpt #: 194 total cpu time spent up to now is 34.4 secs Computing kpt #: 195 total cpu time spent up to now is 34.5 secs Computing kpt #: 196 total cpu time spent up to now is 34.7 secs Computing kpt #: 197 total cpu time spent up to now is 34.8 secs Computing kpt #: 198 total cpu time spent up to now is 34.9 secs Computing kpt #: 199 total cpu time spent up to now is 35.1 secs Computing kpt #: 200 total cpu time spent up to now is 35.3 secs Computing kpt #: 201 total cpu time spent up to now is 35.4 secs Computing kpt #: 202 total cpu time spent up to now is 35.6 secs Computing kpt #: 203 total cpu time spent up to now is 35.8 secs Computing kpt #: 204 total cpu time spent up to now is 35.9 secs Computing kpt #: 205 total cpu time spent up to now is 36.1 secs Computing kpt #: 206 total cpu time spent up to now is 36.2 secs Computing kpt #: 207 total cpu time spent up to now is 36.4 secs Computing kpt #: 208 total cpu time spent up to now is 36.5 secs Computing kpt #: 209 total cpu time spent up to now is 36.7 secs Computing kpt #: 210 total cpu time spent up to now is 36.9 secs Computing kpt #: 211 total cpu time spent up to now is 37.0 secs Computing kpt #: 212 total cpu time spent up to now is 37.2 secs Computing kpt #: 213 total cpu time spent up to now is 37.4 secs Computing kpt #: 214 total cpu time spent up to now is 37.5 secs Computing kpt #: 215 total cpu time spent up to now is 37.7 secs Computing kpt #: 216 total cpu time spent up to now is 37.8 secs Computing kpt #: 217 total cpu time spent up to now is 38.0 secs Computing kpt #: 218 total cpu time spent up to now is 38.2 secs Computing kpt #: 219 total cpu time spent up to now is 38.3 secs Computing kpt #: 220 total cpu time spent up to now is 38.5 secs Computing kpt #: 221 total cpu time spent up to now is 38.7 secs Computing kpt #: 222 total cpu time spent up to now is 38.8 secs Computing kpt #: 223 total cpu time spent up to now is 39.0 secs Computing kpt #: 224 total cpu time spent up to now is 39.1 secs Computing kpt #: 225 total cpu time spent up to now is 39.3 secs Computing kpt #: 226 total cpu time spent up to now is 39.4 secs Computing kpt #: 227 total cpu time spent up to now is 39.6 secs Computing kpt #: 228 total cpu time spent up to now is 39.7 secs Computing kpt #: 229 total cpu time spent up to now is 39.9 secs Computing kpt #: 230 total cpu time spent up to now is 40.0 secs Computing kpt #: 231 total cpu time spent up to now is 40.1 secs Computing kpt #: 232 total cpu time spent up to now is 40.3 secs Computing kpt #: 233 total cpu time spent up to now is 40.4 secs Computing kpt #: 234 total cpu time spent up to now is 40.5 secs Computing kpt #: 235 total cpu time spent up to now is 40.7 secs Computing kpt #: 236 total cpu time spent up to now is 40.8 secs Computing kpt #: 237 total cpu time spent up to now is 40.9 secs Computing kpt #: 238 total cpu time spent up to now is 41.1 secs Computing kpt #: 239 total cpu time spent up to now is 41.2 secs Computing kpt #: 240 total cpu time spent up to now is 41.3 secs Computing kpt #: 241 total cpu time spent up to now is 41.5 secs Computing kpt #: 242 total cpu time spent up to now is 41.6 secs Computing kpt #: 243 total cpu time spent up to now is 41.8 secs Computing kpt #: 244 total cpu time spent up to now is 41.9 secs Computing kpt #: 245 total cpu time spent up to now is 42.1 secs Computing kpt #: 246 total cpu time spent up to now is 42.2 secs Computing kpt #: 247 total cpu time spent up to now is 42.4 secs Computing kpt #: 248 total cpu time spent up to now is 42.5 secs Computing kpt #: 249 total cpu time spent up to now is 42.7 secs Computing kpt #: 250 total cpu time spent up to now is 42.9 secs Computing kpt #: 251 total cpu time spent up to now is 43.0 secs Computing kpt #: 252 total cpu time spent up to now is 43.2 secs Computing kpt #: 253 total cpu time spent up to now is 43.4 secs Computing kpt #: 254 total cpu time spent up to now is 43.5 secs Computing kpt #: 255 total cpu time spent up to now is 43.7 secs Computing kpt #: 256 total cpu time spent up to now is 43.8 secs Computing kpt #: 257 total cpu time spent up to now is 44.0 secs Computing kpt #: 258 total cpu time spent up to now is 44.1 secs Computing kpt #: 259 total cpu time spent up to now is 44.3 secs Computing kpt #: 260 total cpu time spent up to now is 44.4 secs Computing kpt #: 261 total cpu time spent up to now is 44.6 secs Computing kpt #: 262 total cpu time spent up to now is 44.7 secs Computing kpt #: 263 total cpu time spent up to now is 44.9 secs Computing kpt #: 264 total cpu time spent up to now is 45.1 secs Computing kpt #: 265 total cpu time spent up to now is 45.3 secs Computing kpt #: 266 total cpu time spent up to now is 45.4 secs Computing kpt #: 267 total cpu time spent up to now is 45.5 secs Computing kpt #: 268 total cpu time spent up to now is 45.7 secs Computing kpt #: 269 total cpu time spent up to now is 45.8 secs Computing kpt #: 270 total cpu time spent up to now is 46.0 secs Computing kpt #: 271 total cpu time spent up to now is 46.1 secs Computing kpt #: 272 total cpu time spent up to now is 46.3 secs Computing kpt #: 273 total cpu time spent up to now is 46.4 secs Computing kpt #: 274 total cpu time spent up to now is 46.6 secs Computing kpt #: 275 total cpu time spent up to now is 46.7 secs Computing kpt #: 276 total cpu time spent up to now is 46.9 secs Computing kpt #: 277 total cpu time spent up to now is 47.1 secs Computing kpt #: 278 total cpu time spent up to now is 47.2 secs Computing kpt #: 279 total cpu time spent up to now is 47.4 secs Computing kpt #: 280 total cpu time spent up to now is 47.6 secs Computing kpt #: 281 total cpu time spent up to now is 47.7 secs Computing kpt #: 282 total cpu time spent up to now is 47.9 secs Computing kpt #: 283 total cpu time spent up to now is 48.0 secs Computing kpt #: 284 total cpu time spent up to now is 48.2 secs Computing kpt #: 285 total cpu time spent up to now is 48.3 secs Computing kpt #: 286 total cpu time spent up to now is 48.5 secs Computing kpt #: 287 total cpu time spent up to now is 48.6 secs Computing kpt #: 288 total cpu time spent up to now is 48.7 secs Computing kpt #: 289 total cpu time spent up to now is 48.9 secs Computing kpt #: 290 total cpu time spent up to now is 49.0 secs Computing kpt #: 291 total cpu time spent up to now is 49.1 secs Computing kpt #: 292 total cpu time spent up to now is 49.3 secs Computing kpt #: 293 total cpu time spent up to now is 49.4 secs Computing kpt #: 294 total cpu time spent up to now is 49.5 secs Computing kpt #: 295 total cpu time spent up to now is 49.7 secs Computing kpt #: 296 total cpu time spent up to now is 49.8 secs Computing kpt #: 297 total cpu time spent up to now is 49.9 secs Computing kpt #: 298 total cpu time spent up to now is 50.1 secs Computing kpt #: 299 total cpu time spent up to now is 50.2 secs Computing kpt #: 300 total cpu time spent up to now is 50.3 secs Computing kpt #: 301 total cpu time spent up to now is 50.5 secs Computing kpt #: 302 total cpu time spent up to now is 50.7 secs Computing kpt #: 303 total cpu time spent up to now is 50.8 secs Computing kpt #: 304 total cpu time spent up to now is 51.0 secs Computing kpt #: 305 total cpu time spent up to now is 51.2 secs Computing kpt #: 306 total cpu time spent up to now is 51.4 secs Computing kpt #: 307 total cpu time spent up to now is 51.6 secs Computing kpt #: 308 total cpu time spent up to now is 51.8 secs Computing kpt #: 309 total cpu time spent up to now is 52.0 secs Computing kpt #: 310 total cpu time spent up to now is 52.1 secs Computing kpt #: 311 total cpu time spent up to now is 52.3 secs Computing kpt #: 312 total cpu time spent up to now is 52.5 secs Computing kpt #: 313 total cpu time spent up to now is 52.6 secs Computing kpt #: 314 total cpu time spent up to now is 52.8 secs Computing kpt #: 315 total cpu time spent up to now is 52.9 secs Computing kpt #: 316 total cpu time spent up to now is 53.1 secs Computing kpt #: 317 total cpu time spent up to now is 53.3 secs Computing kpt #: 318 total cpu time spent up to now is 53.4 secs Computing kpt #: 319 total cpu time spent up to now is 53.6 secs Computing kpt #: 320 total cpu time spent up to now is 53.7 secs Computing kpt #: 321 total cpu time spent up to now is 53.9 secs Computing kpt #: 322 total cpu time spent up to now is 54.1 secs Computing kpt #: 323 total cpu time spent up to now is 54.2 secs Computing kpt #: 324 total cpu time spent up to now is 54.4 secs Computing kpt #: 325 total cpu time spent up to now is 54.5 secs Computing kpt #: 326 total cpu time spent up to now is 54.7 secs Computing kpt #: 327 total cpu time spent up to now is 54.9 secs Computing kpt #: 328 total cpu time spent up to now is 55.0 secs Computing kpt #: 329 total cpu time spent up to now is 55.2 secs Computing kpt #: 330 total cpu time spent up to now is 55.3 secs Computing kpt #: 331 total cpu time spent up to now is 55.5 secs Computing kpt #: 332 total cpu time spent up to now is 55.6 secs Computing kpt #: 333 total cpu time spent up to now is 55.8 secs Computing kpt #: 334 total cpu time spent up to now is 56.0 secs Computing kpt #: 335 total cpu time spent up to now is 56.1 secs Computing kpt #: 336 total cpu time spent up to now is 56.3 secs Computing kpt #: 337 total cpu time spent up to now is 56.5 secs Computing kpt #: 338 total cpu time spent up to now is 56.6 secs Computing kpt #: 339 total cpu time spent up to now is 56.8 secs Computing kpt #: 340 total cpu time spent up to now is 56.9 secs Computing kpt #: 341 total cpu time spent up to now is 57.1 secs Computing kpt #: 342 total cpu time spent up to now is 57.2 secs Computing kpt #: 343 total cpu time spent up to now is 57.4 secs Computing kpt #: 344 total cpu time spent up to now is 57.6 secs Computing kpt #: 345 total cpu time spent up to now is 57.7 secs Computing kpt #: 346 total cpu time spent up to now is 57.9 secs Computing kpt #: 347 total cpu time spent up to now is 58.1 secs Computing kpt #: 348 total cpu time spent up to now is 58.2 secs Computing kpt #: 349 total cpu time spent up to now is 58.4 secs Computing kpt #: 350 total cpu time spent up to now is 58.5 secs Computing kpt #: 351 total cpu time spent up to now is 58.7 secs Computing kpt #: 352 total cpu time spent up to now is 58.8 secs Computing kpt #: 353 total cpu time spent up to now is 59.0 secs Computing kpt #: 354 total cpu time spent up to now is 59.2 secs Computing kpt #: 355 total cpu time spent up to now is 59.3 secs Computing kpt #: 356 total cpu time spent up to now is 59.5 secs Computing kpt #: 357 total cpu time spent up to now is 59.7 secs Computing kpt #: 358 total cpu time spent up to now is 59.9 secs Computing kpt #: 359 total cpu time spent up to now is 60.0 secs Computing kpt #: 360 total cpu time spent up to now is 60.2 secs Computing kpt #: 361 total cpu time spent up to now is 60.4 secs Computing kpt #: 362 total cpu time spent up to now is 60.5 secs Computing kpt #: 363 total cpu time spent up to now is 60.7 secs Computing kpt #: 364 total cpu time spent up to now is 60.9 secs ethr = 4.17E-08, avg # of iterations = 19.3 total cpu time spent up to now is 60.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2777 -20.2777 -20.1912 -20.1912 -5.2599 -5.2599 -3.6125 -3.6125 3.0622 3.0622 5.9019 5.9019 5.9916 5.9916 8.2722 8.2722 8.8399 8.8399 8.8449 8.8449 10.0122 10.0122 10.1318 10.1318 10.4091 10.4091 13.3277 13.3277 k = 0.0100 0.0058-0.0000 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1913 -20.1913 -5.2587 -5.2587 -3.6125 -3.6125 3.0638 3.0638 5.9011 5.9011 5.9907 5.9907 8.2671 8.2671 8.8330 8.8330 8.8383 8.8383 10.0165 10.0165 10.1352 10.1352 10.4117 10.4117 13.3233 13.3233 k = 0.0200 0.0115-0.0000 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1918 -20.1918 -5.2553 -5.2553 -3.6125 -3.6125 3.0685 3.0685 5.8982 5.8982 5.9882 5.9882 8.2513 8.2513 8.8018 8.8018 8.8310 8.8310 10.0284 10.0284 10.1451 10.1451 10.4199 10.4199 13.2899 13.2899 k = 0.0300 0.0173-0.0000 ( 2673 PWs) bands (ev): -53.6743 -53.6743 -27.9706 -27.9706 -20.2778 -20.2778 -20.1925 -20.1925 -5.2496 -5.2496 -3.6126 -3.6126 3.0765 3.0765 5.8926 5.8926 5.9850 5.9850 8.2240 8.2240 8.7529 8.7529 8.8199 8.8199 10.0448 10.0448 10.1614 10.1614 10.4341 10.4341 13.2351 13.2351 k = 0.0400 0.0231-0.0000 ( 2665 PWs) bands (ev): -53.6743 -53.6743 -27.9707 -27.9707 -20.2778 -20.2778 -20.1935 -20.1935 -5.2416 -5.2416 -3.6127 -3.6127 3.0875 3.0875 5.8833 5.8833 5.9823 5.9823 8.1839 8.1839 8.6911 8.6911 8.8057 8.8057 10.0609 10.0609 10.1846 10.1846 10.4546 10.4546 13.1798 13.1798 k = 0.0500 0.0289-0.0000 ( 2669 PWs) bands (ev): -53.6742 -53.6742 -27.9711 -27.9711 -20.2780 -20.2780 -20.1948 -20.1948 -5.2313 -5.2313 -3.6128 -3.6128 3.1017 3.1017 5.8696 5.8696 5.9810 5.9810 8.1296 8.1296 8.6214 8.6214 8.7892 8.7892 10.0725 10.0725 10.2155 10.2155 10.4815 10.4815 13.1295 13.1295 k = 0.0600 0.0346-0.0000 ( 2669 PWs) bands (ev): -53.6742 -53.6742 -27.9714 -27.9714 -20.2781 -20.2781 -20.1963 -20.1963 -5.2188 -5.2188 -3.6130 -3.6130 3.1190 3.1190 5.8510 5.8510 5.9819 5.9819 8.0597 8.0597 8.5483 8.5483 8.7708 8.7708 10.0772 10.0772 10.2538 10.2538 10.5140 10.5140 13.0857 13.0857 k = 0.0700 0.0404-0.0000 ( 2665 PWs) bands (ev): -53.6741 -53.6741 -27.9717 -27.9717 -20.2783 -20.2783 -20.1980 -20.1980 -5.2041 -5.2041 -3.6132 -3.6132 3.1394 3.1394 5.8279 5.8279 5.9847 5.9847 7.9739 7.9739 8.4751 8.4751 8.7509 8.7509 10.0747 10.0747 10.2980 10.2980 10.5511 10.5511 13.0492 13.0492 k = 0.0800 0.0462-0.0000 ( 2665 PWs) bands (ev): -53.6740 -53.6740 -27.9722 -27.9722 -20.2785 -20.2785 -20.2001 -20.2001 -5.1872 -5.1872 -3.6134 -3.6134 3.1628 3.1628 5.8009 5.8009 5.9894 5.9894 7.8733 7.8733 8.4036 8.4036 8.7293 8.7293 10.0662 10.0662 10.3464 10.3464 10.5919 10.5919 13.0205 13.0205 k = 0.0900 0.0520-0.0000 ( 2667 PWs) bands (ev): -53.6739 -53.6739 -27.9727 -27.9727 -20.2789 -20.2789 -20.2023 -20.2023 -5.1682 -5.1682 -3.6137 -3.6137 3.1892 3.1892 5.7707 5.7707 5.9956 5.9956 7.7597 7.7597 8.3345 8.3345 8.7057 8.7057 10.0525 10.0525 10.3975 10.3975 10.6352 10.6352 13.0000 13.0000 k = 0.1000 0.0577-0.0000 ( 2661 PWs) bands (ev): -53.6738 -53.6738 -27.9732 -27.9732 -20.2792 -20.2792 -20.2047 -20.2047 -5.1471 -5.1471 -3.6140 -3.6140 3.2186 3.2186 5.7378 5.7378 6.0030 6.0030 7.6356 7.6356 8.2674 8.2674 8.6797 8.6797 10.0346 10.0346 10.4500 10.4500 10.6806 10.6806 12.9879 12.9879 k = 0.1100 0.0635-0.0000 ( 2657 PWs) bands (ev): -53.6737 -53.6737 -27.9737 -27.9737 -20.2796 -20.2796 -20.2073 -20.2073 -5.1239 -5.1239 -3.6143 -3.6143 3.2509 3.2509 5.7028 5.7028 6.0115 6.0115 7.5033 7.5033 8.2020 8.2020 8.6506 8.6506 10.0132 10.0132 10.5032 10.5032 10.7274 10.7274 12.9844 12.9844 k = 0.1200 0.0693-0.0000 ( 2657 PWs) bands (ev): -53.6736 -53.6736 -27.9744 -27.9744 -20.2801 -20.2801 -20.2101 -20.2101 -5.0988 -5.0988 -3.6147 -3.6147 3.2860 3.2860 5.6661 5.6661 6.0208 6.0208 7.3650 7.3650 8.1379 8.1379 8.6181 8.6181 9.9888 9.9888 10.5565 10.5565 10.7754 10.7754 12.9896 12.9896 k = 0.1300 0.0751-0.0000 ( 2659 PWs) bands (ev): -53.6735 -53.6735 -27.9751 -27.9751 -20.2807 -20.2807 -20.2130 -20.2130 -5.0717 -5.0717 -3.6151 -3.6151 3.3239 3.3239 5.6282 5.6282 6.0307 6.0307 7.2224 7.2224 8.0750 8.0750 8.5816 8.5816 9.9620 9.9620 10.6094 10.6094 10.8242 10.8242 13.0035 13.0035 k = 0.1400 0.0808-0.0000 ( 2667 PWs) bands (ev): -53.6734 -53.6734 -27.9759 -27.9759 -20.2815 -20.2815 -20.2160 -20.2160 -5.0428 -5.0428 -3.6155 -3.6155 3.3645 3.3645 5.5894 5.5894 6.0411 6.0411 7.0769 7.0769 8.0130 8.0130 8.5410 8.5410 9.9330 9.9330 10.6618 10.6618 10.8737 10.8737 13.0259 13.0259 k = 0.1500 0.0866-0.0000 ( 2667 PWs) bands (ev): -53.6732 -53.6732 -27.9766 -27.9766 -20.2823 -20.2823 -20.2191 -20.2191 -5.0121 -5.0121 -3.6159 -3.6159 3.4076 3.4076 5.5502 5.5502 6.0519 6.0519 6.9296 6.9296 7.9521 7.9521 8.4960 8.4960 9.9024 9.9024 10.7137 10.7137 10.9237 10.9237 13.0565 13.0565 k = 0.1600 0.0924-0.0000 ( 2659 PWs) bands (ev): -53.6731 -53.6731 -27.9774 -27.9774 -20.2832 -20.2832 -20.2221 -20.2221 -4.9796 -4.9796 -3.6164 -3.6164 3.4533 3.4533 5.5106 5.5106 6.0629 6.0629 6.7816 6.7816 7.8924 7.8924 8.4465 8.4465 9.8703 9.8703 10.7650 10.7650 10.9739 10.9739 13.0951 13.0951 k = 0.1700 0.0981-0.0000 ( 2659 PWs) bands (ev): -53.6729 -53.6729 -27.9782 -27.9782 -20.2844 -20.2844 -20.2252 -20.2252 -4.9456 -4.9456 -3.6169 -3.6169 3.5012 3.5012 5.4709 5.4709 6.0739 6.0739 6.6338 6.6338 7.8338 7.8338 8.3927 8.3927 9.8372 9.8372 10.8160 10.8160 11.0241 11.0241 13.1411 13.1411 k = 0.1800 0.1039-0.0000 ( 2655 PWs) bands (ev): -53.6727 -53.6727 -27.9790 -27.9790 -20.2857 -20.2857 -20.2282 -20.2282 -4.9100 -4.9100 -3.6175 -3.6175 3.5514 3.5514 5.4313 5.4313 6.0848 6.0848 6.4871 6.4871 7.7765 7.7765 8.3346 8.3346 9.8033 9.8033 10.8666 10.8666 11.0742 11.0742 13.1941 13.1941 k = 0.1900 0.1097-0.0000 ( 2655 PWs) bands (ev): -53.6726 -53.6726 -27.9799 -27.9799 -20.2873 -20.2873 -20.2311 -20.2311 -4.8729 -4.8729 -3.6180 -3.6180 3.6037 3.6037 5.3917 5.3917 6.0953 6.0953 6.3425 6.3425 7.7205 7.7205 8.2726 8.2726 9.7689 9.7689 10.9170 10.9170 11.1241 11.1241 13.2534 13.2534 k = 0.2000 0.1155-0.0000 ( 2657 PWs) bands (ev): -53.6724 -53.6724 -27.9808 -27.9808 -20.2891 -20.2891 -20.2339 -20.2339 -4.8345 -4.8345 -3.6186 -3.6186 3.6578 3.6578 5.3520 5.3520 6.1038 6.1038 6.2022 6.2022 7.6661 7.6661 8.2068 8.2068 9.7342 9.7342 10.9674 10.9674 11.1738 11.1738 13.3182 13.3182 k = 0.2100 0.1212-0.0000 ( 2649 PWs) bands (ev): -53.6722 -53.6722 -27.9817 -27.9817 -20.2911 -20.2911 -20.2364 -20.2364 -4.7948 -4.7948 -3.6192 -3.6192 3.7134 3.7134 5.3118 5.3118 6.0547 6.0547 6.1230 6.1230 7.6132 7.6132 8.1378 8.1378 9.6995 9.6995 11.0177 11.0177 11.2232 11.2232 13.3879 13.3879 k = 0.2200 0.1270-0.0000 ( 2653 PWs) bands (ev): -53.6720 -53.6720 -27.9827 -27.9827 -20.2935 -20.2935 -20.2388 -20.2388 -4.7541 -4.7541 -3.6198 -3.6198 3.7704 3.7704 5.2705 5.2705 5.9250 5.9250 6.1290 6.1290 7.5618 7.5618 8.0659 8.0659 9.6650 9.6650 11.0680 11.0680 11.2726 11.2726 13.4614 13.4614 k = 0.2300 0.1328-0.0000 ( 2653 PWs) bands (ev): -53.6719 -53.6719 -27.9836 -27.9836 -20.2961 -20.2961 -20.2410 -20.2410 -4.7123 -4.7123 -3.6204 -3.6204 3.8283 3.8283 5.2270 5.2270 5.7993 5.7993 6.1373 6.1373 7.5120 7.5120 7.9917 7.9917 9.6308 9.6308 11.1182 11.1182 11.3221 11.3221 13.5378 13.5378 k = 0.2400 0.1386-0.0000 ( 2653 PWs) bands (ev): -53.6717 -53.6717 -27.9846 -27.9846 -20.2990 -20.2990 -20.2430 -20.2430 -4.6697 -4.6697 -3.6210 -3.6210 3.8867 3.8867 5.1796 5.1796 5.6827 5.6827 6.1453 6.1453 7.4635 7.4635 7.9157 7.9157 9.5972 9.5972 11.1683 11.1683 11.3719 11.3719 13.6158 13.6158 k = 0.2500 0.1443-0.0000 ( 2649 PWs) bands (ev): -53.6715 -53.6715 -27.9855 -27.9855 -20.3021 -20.3021 -20.2447 -20.2447 -4.6264 -4.6264 -3.6216 -3.6216 3.9447 3.9447 5.1262 5.1262 5.5786 5.5786 6.1525 6.1525 7.4163 7.4163 7.8386 7.8386 9.5643 9.5643 11.2182 11.2182 11.4222 11.4222 13.6938 13.6938 k = 0.2600 0.1501-0.0000 ( 2645 PWs) bands (ev): -53.6713 -53.6713 -27.9864 -27.9864 -20.3054 -20.3054 -20.2461 -20.2461 -4.5825 -4.5825 -3.6222 -3.6222 4.0016 4.0016 5.0648 5.0648 5.4902 5.4902 6.1587 6.1587 7.3699 7.3699 7.7613 7.7613 9.5321 9.5321 11.2677 11.2677 11.4732 11.4732 13.7700 13.7700 k = 0.2700 0.1559-0.0000 ( 2643 PWs) bands (ev): -53.6711 -53.6711 -27.9874 -27.9874 -20.3089 -20.3089 -20.2474 -20.2474 -4.5382 -4.5382 -3.6228 -3.6228 4.0557 4.0557 4.9953 4.9953 5.4192 5.4192 6.1639 6.1639 7.3239 7.3239 7.6846 7.6846 9.5008 9.5008 11.3168 11.3168 11.5251 11.5251 13.8418 13.8418 k = 0.2800 0.1617-0.0000 ( 2647 PWs) bands (ev): -53.6710 -53.6710 -27.9884 -27.9884 -20.3126 -20.3126 -20.2485 -20.2485 -4.4936 -4.4936 -3.6234 -3.6234 4.1049 4.1049 4.9209 4.9209 5.3649 5.3649 6.1680 6.1680 7.2774 7.2774 7.6099 7.6099 9.4705 9.4705 11.3653 11.3653 11.5781 11.5781 13.9069 13.9069 k = 0.2900 0.1674-0.0000 ( 2647 PWs) bands (ev): -53.6708 -53.6708 -27.9893 -27.9893 -20.3163 -20.3163 -20.2495 -20.2495 -4.4489 -4.4489 -3.6239 -3.6239 4.1453 4.1453 4.8482 4.8482 5.3247 5.3247 6.1709 6.1709 7.2292 7.2292 7.5386 7.5386 9.4412 9.4412 11.4130 11.4130 11.6322 11.6322 13.9649 13.9649 k = 0.3000 0.1732-0.0000 ( 2647 PWs) bands (ev): -53.6706 -53.6706 -27.9902 -27.9902 -20.3201 -20.3201 -20.2503 -20.2503 -4.4044 -4.4044 -3.6244 -3.6244 4.1712 4.1712 4.7858 4.7858 5.2955 5.2955 6.1727 6.1727 7.1780 7.1780 7.4725 7.4725 9.4131 9.4131 11.4601 11.4601 11.6874 11.6874 14.0161 14.0161 k = 0.3100 0.1790-0.0000 ( 2651 PWs) bands (ev): -53.6705 -53.6705 -27.9912 -27.9912 -20.3240 -20.3240 -20.2509 -20.2509 -4.3601 -4.3601 -3.6248 -3.6248 4.1756 4.1756 4.7435 4.7435 5.2748 5.2748 6.1733 6.1733 7.1222 7.1222 7.4133 7.4133 9.3861 9.3861 11.5063 11.5063 11.7436 11.7436 14.0597 14.0597 k = 0.3200 0.1848-0.0000 ( 2651 PWs) bands (ev): -53.6703 -53.6703 -27.9921 -27.9921 -20.3278 -20.3278 -20.2515 -20.2515 -4.3164 -4.3164 -3.6251 -3.6251 4.1534 4.1534 4.7277 4.7277 5.2611 5.2611 6.1728 6.1728 7.0611 7.0611 7.3621 7.3621 9.3604 9.3604 11.5518 11.5518 11.8005 11.8005 14.0901 14.0901 k = 0.3300 0.1905-0.0000 ( 2651 PWs) bands (ev): -53.6701 -53.6701 -27.9930 -27.9930 -20.3315 -20.3315 -20.2520 -20.2520 -4.2733 -4.2733 -3.6253 -3.6253 4.1068 4.1068 4.7374 4.7374 5.2533 5.2533 6.1713 6.1713 6.9948 6.9948 7.3190 7.3190 9.3359 9.3359 11.5963 11.5963 11.8579 11.8579 14.0999 14.0999 k = 0.3400 0.1963-0.0000 ( 2651 PWs) bands (ev): -53.6700 -53.6700 -27.9938 -27.9938 -20.3352 -20.3352 -20.2523 -20.2523 -4.2312 -4.2312 -3.6255 -3.6255 4.0431 4.0431 4.7657 4.7657 5.2509 5.2509 6.1688 6.1688 6.9243 6.9243 7.2833 7.2833 9.3127 9.3127 11.6400 11.6400 11.9152 11.9152 14.0869 14.0869 k = 0.3500 0.2021-0.0000 ( 2651 PWs) bands (ev): -53.6698 -53.6698 -27.9946 -27.9946 -20.3388 -20.3388 -20.2527 -20.2527 -4.1903 -4.1903 -3.6255 -3.6255 3.9701 3.9701 4.8051 4.8051 5.2534 5.2534 6.1654 6.1654 6.8509 6.8509 7.2536 7.2536 9.2908 9.2908 11.6826 11.6826 11.9722 11.9722 14.0549 14.0549 k = 0.3600 0.2078-0.0000 ( 2651 PWs) bands (ev): -53.6697 -53.6697 -27.9953 -27.9953 -20.3423 -20.3423 -20.2529 -20.2529 -4.1507 -4.1507 -3.6253 -3.6253 3.8932 3.8932 4.8502 4.8502 5.2608 5.2608 6.1613 6.1613 6.7757 6.7757 7.2290 7.2290 9.2702 9.2702 11.7240 11.7240 12.0280 12.0280 14.0093 14.0093 k = 0.3700 0.2136-0.0000 ( 2649 PWs) bands (ev): -53.6695 -53.6695 -27.9961 -27.9961 -20.3456 -20.3456 -20.2531 -20.2531 -4.1128 -4.1128 -3.6250 -3.6250 3.8159 3.8159 4.8973 4.8973 5.2729 5.2729 6.1566 6.1566 6.7001 6.7001 7.2085 7.2085 9.2510 9.2510 11.7641 11.7641 12.0822 12.0822 13.9559 13.9559 k = 0.3800 0.2194-0.0000 ( 2649 PWs) bands (ev): -53.6694 -53.6694 -27.9967 -27.9967 -20.3487 -20.3487 -20.2533 -20.2533 -4.0767 -4.0767 -3.6246 -3.6246 3.7403 3.7403 4.9441 4.9441 5.2898 5.2898 6.1514 6.1514 6.6246 6.6246 7.1912 7.1912 9.2332 9.2332 11.8027 11.8027 12.1338 12.1338 13.8997 13.8997 k = 0.3900 0.2252-0.0000 ( 2648 PWs) bands (ev): -53.6693 -53.6693 -27.9974 -27.9974 -20.3517 -20.3517 -20.2535 -20.2535 -4.0427 -4.0427 -3.6239 -3.6239 3.6678 3.6678 4.9890 4.9890 5.3114 5.3114 6.1460 6.1460 6.5501 6.5501 7.1768 7.1768 9.2167 9.2167 11.8393 11.8393 12.1822 12.1822 13.8450 13.8450 k = 0.4000 0.2309-0.0000 ( 2644 PWs) bands (ev): -53.6692 -53.6692 -27.9979 -27.9979 -20.3544 -20.3544 -20.2536 -20.2536 -4.0110 -4.0110 -3.6230 -3.6230 3.5996 3.5996 5.0309 5.0309 5.3374 5.3374 6.1403 6.1403 6.4772 6.4772 7.1647 7.1647 9.2016 9.2016 11.8738 11.8738 12.2264 12.2264 13.7953 13.7953 k = 0.4100 0.2367-0.0000 ( 2652 PWs) bands (ev): -53.6691 -53.6691 -27.9985 -27.9985 -20.3570 -20.3570 -20.2537 -20.2537 -3.9818 -3.9818 -3.6220 -3.6220 3.5362 3.5362 5.0693 5.0693 5.3672 5.3672 6.1346 6.1346 6.4063 6.4063 7.1545 7.1545 9.1879 9.1879 11.9058 11.9058 12.2657 12.2657 13.7534 13.7534 k = 0.4200 0.2425-0.0000 ( 2650 PWs) bands (ev): -53.6690 -53.6690 -27.9990 -27.9990 -20.3593 -20.3593 -20.2538 -20.2538 -3.9554 -3.9554 -3.6207 -3.6207 3.4783 3.4783 5.1040 5.1040 5.4002 5.4002 6.1288 6.1288 6.3381 6.3381 7.1461 7.1461 9.1757 9.1757 11.9349 11.9349 12.2995 12.2995 13.7209 13.7209 k = 0.4300 0.2483-0.0000 ( 2652 PWs) bands (ev): -53.6689 -53.6689 -27.9995 -27.9995 -20.3614 -20.3614 -20.2539 -20.2539 -3.9319 -3.9319 -3.6193 -3.6193 3.4262 3.4262 5.1349 5.1349 5.4352 5.4352 6.1229 6.1229 6.2733 6.2733 7.1391 7.1391 9.1648 9.1648 11.9609 11.9609 12.3275 12.3275 13.6991 13.6991 k = 0.4400 0.2540-0.0000 ( 2656 PWs) bands (ev): -53.6689 -53.6689 -27.9999 -27.9999 -20.3632 -20.3632 -20.2539 -20.2539 -3.9114 -3.9114 -3.6177 -3.6177 3.3805 3.3805 5.1623 5.1623 5.4712 5.4712 6.1163 6.1163 6.2130 6.2130 7.1334 7.1334 9.1554 9.1554 11.9834 11.9834 12.3497 12.3497 13.6878 13.6878 k = 0.4500 0.2598-0.0000 ( 2656 PWs) bands (ev): -53.6688 -53.6688 -28.0002 -28.0002 -20.3648 -20.3648 -20.2539 -20.2539 -3.8940 -3.8940 -3.6161 -3.6161 3.3413 3.3413 5.1861 5.1861 5.5071 5.5071 6.1062 6.1062 6.1611 6.1611 7.1288 7.1288 9.1474 9.1474 12.0023 12.0023 12.3666 12.3666 13.6862 13.6862 k = 0.4600 0.2656-0.0000 ( 2660 PWs) bands (ev): -53.6687 -53.6687 -28.0005 -28.0005 -20.3661 -20.3661 -20.2540 -20.2540 -3.8797 -3.8797 -3.6146 -3.6146 3.3089 3.3089 5.2062 5.2062 5.5416 5.5416 6.0813 6.0813 6.1298 6.1298 7.1252 7.1252 9.1409 9.1409 12.0175 12.0175 12.3788 12.3788 13.6923 13.6923 k = 0.4700 0.2714-0.0000 ( 2670 PWs) bands (ev): -53.6687 -53.6687 -28.0008 -28.0008 -20.3672 -20.3672 -20.2540 -20.2540 -3.8687 -3.8687 -3.6133 -3.6133 3.2835 3.2835 5.2223 5.2223 5.5732 5.5732 6.0431 6.0431 6.1193 6.1193 7.1226 7.1226 9.1358 9.1358 12.0291 12.0291 12.3872 12.3872 13.7032 13.7032 k = 0.4800 0.2771-0.0000 ( 2666 PWs) bands (ev): -53.6687 -53.6687 -28.0010 -28.0010 -20.3679 -20.3679 -20.2540 -20.2540 -3.8609 -3.8609 -3.6122 -3.6122 3.2652 3.2652 5.2342 5.2342 5.5995 5.5995 6.0085 6.0085 6.1150 6.1150 7.1207 7.1207 9.1322 9.1322 12.0372 12.0372 12.3925 12.3925 13.7153 13.7153 k = 0.4900 0.2829-0.0000 ( 2672 PWs) bands (ev): -53.6687 -53.6687 -28.0011 -28.0011 -20.3684 -20.3684 -20.2541 -20.2541 -3.8562 -3.8562 -3.6115 -3.6115 3.2542 3.2542 5.2415 5.2415 5.6176 5.6176 5.9849 5.9849 6.1129 6.1129 7.1196 7.1196 9.1300 9.1300 12.0420 12.0420 12.3955 12.3955 13.7247 13.7247 k = 0.5000 0.2887-0.0000 ( 2678 PWs) bands (ev): -53.6687 -53.6687 -28.0012 -28.0012 -20.3685 -20.3685 -20.2541 -20.2541 -3.8546 -3.8546 -3.6113 -3.6113 3.2506 3.2506 5.2440 5.2440 5.6242 5.6242 5.9765 5.9765 6.1123 6.1123 7.1193 7.1193 9.1293 9.1293 12.0436 12.0436 12.3964 12.3964 13.7282 13.7282 k = 0.5000 0.2887-0.0000 ( 2678 PWs) bands (ev): -53.6687 -53.6687 -28.0012 -28.0012 -20.3685 -20.3685 -20.2541 -20.2541 -3.8546 -3.8546 -3.6113 -3.6113 3.2506 3.2506 5.2440 5.2440 5.6242 5.6242 5.9765 5.9765 6.1123 6.1123 7.1193 7.1193 9.1293 9.1293 12.0436 12.0436 12.3964 12.3964 13.7282 13.7282 k = 0.4943 0.2986-0.0000 ( 2670 PWs) bands (ev): -53.6687 -53.6687 -28.0011 -28.0011 -20.3685 -20.3685 -20.2542 -20.2542 -3.8541 -3.8541 -3.6113 -3.6113 3.2520 3.2520 5.2416 5.2416 5.6253 5.6253 5.9703 5.9703 6.1201 6.1201 7.1084 7.1084 9.1397 9.1397 12.0420 12.0420 12.3943 12.3943 13.7284 13.7284 k = 0.4885 0.3086-0.0000 ( 2670 PWs) bands (ev): -53.6687 -53.6687 -28.0012 -28.0012 -20.3683 -20.3683 -20.2544 -20.2544 -3.8524 -3.8524 -3.6112 -3.6112 3.2561 3.2561 5.2344 5.2344 5.6287 5.6287 5.9553 5.9553 6.1401 6.1401 7.0768 7.0768 9.1703 9.1703 12.0373 12.0373 12.3880 12.3880 13.7290 13.7290 k = 0.4828 0.3185-0.0000 ( 2670 PWs) bands (ev): -53.6686 -53.6686 -28.0012 -28.0012 -20.3681 -20.3681 -20.2549 -20.2549 -3.8497 -3.8497 -3.6111 -3.6111 3.2631 3.2631 5.2226 5.2226 5.6341 5.6341 5.9369 5.9369 6.1664 6.1664 7.0265 7.0265 9.2189 9.2189 12.0296 12.0296 12.3775 12.3775 13.7299 13.7299 k = 0.4770 0.3285-0.0000 ( 2670 PWs) bands (ev): -53.6686 -53.6686 -28.0013 -28.0013 -20.3678 -20.3678 -20.2556 -20.2556 -3.8459 -3.8459 -3.6109 -3.6109 3.2727 3.2727 5.2064 5.2064 5.6417 5.6417 5.9185 5.9185 6.1952 6.1952 6.9608 6.9608 9.2828 9.2828 12.0192 12.0192 12.3632 12.3632 13.7311 13.7311 k = 0.4713 0.3384-0.0000 ( 2662 PWs) bands (ev): -53.6686 -53.6686 -28.0013 -28.0013 -20.3674 -20.3674 -20.2564 -20.2564 -3.8410 -3.8410 -3.6107 -3.6107 3.2851 3.2851 5.1863 5.1863 5.6512 5.6512 5.9016 5.9016 6.2237 6.2237 6.8835 6.8835 9.3587 9.3587 12.0063 12.0063 12.3452 12.3452 13.7322 13.7322 k = 0.4655 0.3484-0.0000 ( 2662 PWs) bands (ev): -53.6686 -53.6686 -28.0014 -28.0014 -20.3669 -20.3669 -20.2574 -20.2574 -3.8352 -3.8352 -3.6104 -3.6104 3.3002 3.3002 5.1627 5.1627 5.6624 5.6624 5.8869 5.8869 6.2495 6.2495 6.7988 6.7988 9.4438 9.4438 11.9913 11.9913 12.3240 12.3240 13.7329 13.7329 k = 0.4598 0.3584-0.0000 ( 2658 PWs) bands (ev): -53.6686 -53.6686 -28.0014 -28.0014 -20.3663 -20.3663 -20.2586 -20.2586 -3.8284 -3.8284 -3.6101 -3.6101 3.3180 3.3180 5.1362 5.1362 5.6753 5.6753 5.8749 5.8749 6.2689 6.2689 6.7121 6.7121 9.5354 9.5354 11.9745 11.9745 12.2999 12.2999 13.7325 13.7325 k = 0.4540 0.3683-0.0000 ( 2650 PWs) bands (ev): -53.6685 -53.6685 -28.0015 -28.0015 -20.3656 -20.3656 -20.2599 -20.2599 -3.8208 -3.8208 -3.6098 -3.6098 3.3383 3.3383 5.1072 5.1072 5.6895 5.6895 5.8654 5.8654 6.2755 6.2755 6.6315 6.6315 9.6313 9.6313 11.9563 11.9563 12.2735 12.2735 13.7300 13.7300 k = 0.4483 0.3783-0.0000 ( 2650 PWs) bands (ev): -53.6685 -53.6685 -28.0016 -28.0016 -20.3650 -20.3650 -20.2613 -20.2613 -3.8123 -3.8123 -3.6094 -3.6094 3.3612 3.3612 5.0764 5.0764 5.7049 5.7049 5.8583 5.8583 6.2581 6.2581 6.5698 6.5698 9.7296 9.7296 11.9369 11.9369 12.2453 12.2453 13.7232 13.7232 k = 0.4425 0.3882-0.0000 ( 2650 PWs) bands (ev): -53.6685 -53.6685 -28.0018 -28.0018 -20.3642 -20.3642 -20.2630 -20.2630 -3.8032 -3.8032 -3.6089 -3.6089 3.3866 3.3866 5.0442 5.0442 5.7209 5.7209 5.8535 5.8535 6.2071 6.2071 6.5378 6.5378 9.8288 9.8288 11.9166 11.9166 12.2161 12.2161 13.7090 13.7090 k = 0.4368 0.3982-0.0000 ( 2646 PWs) bands (ev): -53.6684 -53.6684 -28.0019 -28.0019 -20.3634 -20.3634 -20.2647 -20.2647 -3.7934 -3.7934 -3.6084 -3.6084 3.4143 3.4143 5.0113 5.0113 5.7370 5.7370 5.8504 5.8504 6.1287 6.1287 6.5312 6.5312 9.9277 9.9277 11.8956 11.8956 12.1866 12.1866 13.6843 13.6843 k = 0.4310 0.4081-0.0000 ( 2646 PWs) bands (ev): -53.6684 -53.6684 -28.0021 -28.0021 -20.3625 -20.3625 -20.2665 -20.2665 -3.7830 -3.7830 -3.6078 -3.6078 3.4444 3.4444 4.9781 4.9781 5.7513 5.7513 5.8477 5.8477 6.0381 6.0381 6.5380 6.5380 10.0249 10.0249 11.8738 11.8738 12.1578 12.1578 13.6495 13.6495 k = 0.4253 0.4181-0.0000 ( 2654 PWs) bands (ev): -53.6684 -53.6684 -28.0024 -28.0024 -20.3617 -20.3617 -20.2684 -20.2684 -3.7723 -3.7723 -3.6071 -3.6071 3.4767 3.4767 4.9449 4.9449 5.7576 5.7576 5.8421 5.8421 5.9534 5.9534 6.5501 6.5501 10.1196 10.1196 11.8513 11.8513 12.1305 12.1305 13.6084 13.6084 k = 0.4195 0.4280-0.0000 ( 2654 PWs) bands (ev): -53.6683 -53.6683 -28.0026 -28.0026 -20.3608 -20.3608 -20.2704 -20.2704 -3.7612 -3.7612 -3.6063 -3.6063 3.5111 3.5111 4.9122 4.9122 5.7307 5.7307 5.8320 5.8320 5.9052 5.9052 6.5636 6.5636 10.2109 10.2109 11.8283 11.8283 12.1056 12.1056 13.5651 13.5651 k = 0.4138 0.4380-0.0000 ( 2654 PWs) bands (ev): -53.6683 -53.6683 -28.0028 -28.0028 -20.3599 -20.3599 -20.2724 -20.2724 -3.7500 -3.7500 -3.6054 -3.6054 3.5475 3.5475 4.8804 4.8804 5.6524 5.6524 5.8342 5.8342 5.8975 5.8975 6.5765 6.5765 10.2977 10.2977 11.8049 11.8049 12.0837 12.0837 13.5220 13.5220 k = 0.4080 0.4479-0.0000 ( 2642 PWs) bands (ev): -53.6682 -53.6682 -28.0028 -28.0028 -20.3589 -20.3589 -20.2743 -20.2743 -3.7387 -3.7387 -3.6044 -3.6044 3.5856 3.5856 4.8496 4.8496 5.5535 5.5535 5.8440 5.8440 5.9049 5.9049 6.5879 6.5879 10.3793 10.3793 11.7815 11.7815 12.0654 12.0654 13.4808 13.4808 k = 0.4023 0.4579-0.0000 ( 2648 PWs) bands (ev): -53.6682 -53.6682 -28.0031 -28.0031 -20.3580 -20.3580 -20.2763 -20.2763 -3.7277 -3.7277 -3.6032 -3.6032 3.6254 3.6254 4.8202 4.8202 5.4501 5.4501 5.8549 5.8549 5.9185 5.9185 6.5973 6.5973 10.4548 10.4548 11.7589 11.7589 12.0507 12.0507 13.4426 13.4426 k = 0.3966 0.4679-0.0000 ( 2644 PWs) bands (ev): -53.6682 -53.6682 -28.0032 -28.0032 -20.3570 -20.3570 -20.2783 -20.2783 -3.7169 -3.7169 -3.6018 -3.6018 3.6666 3.6666 4.7924 4.7924 5.3471 5.3471 5.8657 5.8657 5.9353 5.9353 6.6044 6.6044 10.5234 10.5234 11.7380 11.7380 12.0394 12.0394 13.4084 13.4084 k = 0.3908 0.4778-0.0000 ( 2644 PWs) bands (ev): -53.6681 -53.6681 -28.0034 -28.0034 -20.3562 -20.3562 -20.2801 -20.2801 -3.7066 -3.7066 -3.6002 -3.6002 3.7089 3.7089 4.7664 4.7664 5.2463 5.2463 5.8762 5.8762 5.9536 5.9536 6.6092 6.6092 10.5844 10.5844 11.7198 11.7198 12.0312 12.0312 13.3787 13.3787 k = 0.3851 0.4878-0.0000 ( 2642 PWs) bands (ev): -53.6681 -53.6681 -28.0036 -28.0036 -20.3553 -20.3553 -20.2819 -20.2819 -3.6970 -3.6970 -3.5983 -3.5983 3.7520 3.7520 4.7422 4.7422 5.1491 5.1491 5.8866 5.8866 5.9724 5.9724 6.6118 6.6118 10.6370 10.6370 11.7054 11.7054 12.0255 12.0255 13.3544 13.3544 k = 0.3793 0.4977-0.0000 ( 2636 PWs) bands (ev): -53.6680 -53.6680 -28.0037 -28.0037 -20.3545 -20.3545 -20.2836 -20.2836 -3.6883 -3.6883 -3.5961 -3.5961 3.7954 3.7954 4.7202 4.7202 5.0565 5.0565 5.8970 5.8970 5.9907 5.9907 6.6124 6.6124 10.6810 10.6810 11.6954 11.6954 12.0217 12.0217 13.3361 13.3361 k = 0.3736 0.5077-0.0000 ( 2630 PWs) bands (ev): -53.6680 -53.6680 -28.0038 -28.0038 -20.3538 -20.3538 -20.2851 -20.2851 -3.6805 -3.6805 -3.5937 -3.5937 3.8386 3.8386 4.7003 4.7003 4.9694 4.9694 5.9073 5.9073 6.0081 6.0081 6.6111 6.6111 10.7163 10.7163 11.6903 11.6903 12.0192 12.0192 13.3243 13.3243 k = 0.3678 0.5176-0.0000 ( 2626 PWs) bands (ev): -53.6680 -53.6680 -28.0039 -28.0039 -20.3532 -20.3532 -20.2864 -20.2864 -3.6739 -3.6739 -3.5910 -3.5910 3.8807 3.8807 4.6825 4.6825 4.8890 4.8890 5.9173 5.9173 6.0240 6.0240 6.6084 6.6084 10.7432 10.7432 11.6898 11.6898 12.0175 12.0175 13.3194 13.3194 k = 0.3621 0.5276-0.0000 ( 2622 PWs) bands (ev): -53.6679 -53.6679 -28.0040 -28.0040 -20.3527 -20.3527 -20.2876 -20.2876 -3.6684 -3.6684 -3.5882 -3.5882 3.9208 3.9208 4.6670 4.6670 4.8165 4.8165 5.9269 5.9269 6.0381 6.0381 6.6046 6.6046 10.7627 10.7627 11.6932 11.6932 12.0162 12.0162 13.3218 13.3218 k = 0.3563 0.5375-0.0000 ( 2624 PWs) bands (ev): -53.6679 -53.6679 -28.0041 -28.0041 -20.3523 -20.3523 -20.2886 -20.2886 -3.6640 -3.6640 -3.5854 -3.5854 3.9575 3.9575 4.6535 4.6535 4.7539 4.7539 5.9357 5.9357 6.0499 6.0499 6.6003 6.6003 10.7758 10.7758 11.6993 11.6993 12.0150 12.0150 13.3316 13.3316 k = 0.3506 0.5475-0.0000 ( 2626 PWs) bands (ev): -53.6679 -53.6679 -28.0042 -28.0042 -20.3520 -20.3520 -20.2893 -20.2893 -3.6607 -3.6607 -3.5829 -3.5829 3.9889 3.9889 4.6416 4.6416 4.7035 4.7035 5.9434 5.9434 6.0592 6.0592 6.5959 6.5959 10.7838 10.7838 11.7066 11.7066 12.0138 12.0138 13.3484 13.3484 k = 0.3448 0.5574-0.0000 ( 2620 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3518 -20.3518 -20.2898 -20.2898 -3.6584 -3.6584 -3.5808 -3.5808 4.0130 4.0130 4.6303 4.6303 4.6686 4.6686 5.9496 5.9496 6.0658 6.0658 6.5920 6.5920 10.7883 10.7883 11.7134 11.7134 12.0128 12.0128 13.3711 13.3711 k = 0.3391 0.5674-0.0000 ( 2620 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3517 -20.3517 -20.2902 -20.2902 -3.6571 -3.6571 -3.5795 -3.5795 4.0279 4.0279 4.6199 4.6199 4.6508 4.6508 5.9538 5.9538 6.0697 6.0697 6.5893 6.5893 10.7903 10.7903 11.7183 11.7183 12.0121 12.0121 13.3959 13.3959 k = 0.3333 0.5774-0.0000 ( 2616 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3516 -20.3516 -20.2902 -20.2902 -3.6567 -3.6567 -3.5790 -3.5790 4.0328 4.0328 4.6155 4.6155 4.6459 4.6459 5.9553 5.9553 6.0710 6.0710 6.5882 6.5882 10.7908 10.7908 11.7202 11.7202 12.0118 12.0118 13.4096 13.4096 k = 0.3333 0.5774-0.0000 ( 2616 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3516 -20.3516 -20.2902 -20.2902 -3.6567 -3.6567 -3.5790 -3.5790 4.0328 4.0328 4.6155 4.6155 4.6459 4.6459 5.9553 5.9553 6.0710 6.0710 6.5882 6.5882 10.7908 10.7908 11.7202 11.7202 12.0118 12.0118 13.4096 13.4096 k = 0.3276 0.5674-0.0000 ( 2620 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3517 -20.3517 -20.2902 -20.2902 -3.6571 -3.6571 -3.5795 -3.5795 4.0285 4.0285 4.6190 4.6190 4.6511 4.6511 5.9536 5.9536 6.0698 6.0698 6.5894 6.5894 10.7905 10.7905 11.7182 11.7182 12.0121 12.0121 13.3943 13.3943 k = 0.3218 0.5574-0.0000 ( 2624 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3518 -20.3518 -20.2899 -20.2899 -3.6585 -3.6585 -3.5811 -3.5811 4.0172 4.0172 4.6254 4.6254 4.6692 4.6692 5.9479 5.9479 6.0667 6.0667 6.5935 6.5935 10.7896 10.7896 11.7121 11.7121 12.0129 12.0129 13.3629 13.3629 k = 0.3161 0.5475-0.0000 ( 2628 PWs) bands (ev): -53.6679 -53.6679 -28.0042 -28.0042 -20.3519 -20.3519 -20.2894 -20.2894 -3.6609 -3.6609 -3.5838 -3.5838 4.0020 4.0020 4.6321 4.6321 4.6996 4.6996 5.9376 5.9376 6.0621 6.0621 6.6007 6.6007 10.7882 10.7882 11.7021 11.7021 12.0144 12.0144 13.3288 13.3288 k = 0.3103 0.5375-0.0000 ( 2624 PWs) bands (ev): -53.6679 -53.6679 -28.0041 -28.0041 -20.3519 -20.3519 -20.2888 -20.2888 -3.6646 -3.6646 -3.5874 -3.5874 3.9854 3.9854 4.6398 4.6398 4.7388 4.7388 5.9225 5.9225 6.0566 6.0566 6.6113 6.6113 10.7860 10.7860 11.6886 11.6886 12.0166 12.0166 13.2963 13.2963 k = 0.3046 0.5276-0.0000 ( 2638 PWs) bands (ev): -53.6680 -53.6680 -28.0041 -28.0041 -20.3520 -20.3520 -20.2881 -20.2881 -3.6699 -3.6699 -3.5917 -3.5917 3.9699 3.9699 4.6490 4.6490 4.7837 4.7837 5.9023 5.9023 6.0508 6.0508 6.6256 6.6256 10.7824 10.7824 11.6721 11.6721 12.0198 12.0198 13.2666 13.2666 k = 0.2989 0.5176-0.0000 ( 2644 PWs) bands (ev): -53.6680 -53.6680 -28.0040 -28.0040 -20.3520 -20.3520 -20.2872 -20.2872 -3.6771 -3.6771 -3.5963 -3.5963 3.9568 3.9568 4.6598 4.6598 4.8321 4.8321 5.8774 5.8774 6.0449 6.0449 6.6435 6.6435 10.7769 10.7769 11.6531 11.6531 12.0247 12.0247 13.2399 13.2399 k = 0.2931 0.5077-0.0000 ( 2650 PWs) bands (ev): -53.6681 -53.6681 -28.0038 -28.0038 -20.3519 -20.3519 -20.2863 -20.2863 -3.6867 -3.6867 -3.6010 -3.6010 3.9475 3.9475 4.6724 4.6724 4.8824 4.8824 5.8481 5.8481 6.0393 6.0393 6.6650 6.6650 10.7687 10.7687 11.6321 11.6321 12.0319 12.0319 13.2159 13.2159 k = 0.2874 0.4977-0.0000 ( 2648 PWs) bands (ev): -53.6681 -53.6681 -28.0035 -28.0035 -20.3516 -20.3516 -20.2852 -20.2852 -3.6989 -3.6989 -3.6054 -3.6054 3.9426 3.9426 4.6866 4.6866 4.9331 4.9331 5.8155 5.8155 6.0345 6.0345 6.6899 6.6899 10.7570 10.7570 11.6094 11.6094 12.0422 12.0422 13.1939 13.1939 k = 0.2816 0.4878-0.0000 ( 2656 PWs) bands (ev): -53.6682 -53.6682 -28.0033 -28.0033 -20.3513 -20.3513 -20.2840 -20.2840 -3.7141 -3.7141 -3.6093 -3.6093 3.9427 3.9427 4.7021 4.7021 4.9829 4.9829 5.7804 5.7804 6.0307 6.0307 6.7181 6.7181 10.7413 10.7413 11.5853 11.5853 12.0563 12.0563 13.1733 13.1733 k = 0.2759 0.4778-0.0000 ( 2660 PWs) bands (ev): -53.6683 -53.6683 -28.0030 -28.0030 -20.3508 -20.3508 -20.2828 -20.2828 -3.7323 -3.7323 -3.6126 -3.6126 3.9483 3.9483 4.7189 4.7189 5.0302 5.0302 5.7444 5.7444 6.0284 6.0284 6.7494 6.7494 10.7213 10.7213 11.5599 11.5599 12.0746 12.0746 13.1532 13.1532 k = 0.2701 0.4679-0.0000 ( 2644 PWs) bands (ev): -53.6683 -53.6683 -28.0024 -28.0024 -20.3500 -20.3500 -20.2815 -20.2815 -3.7533 -3.7533 -3.6153 -3.6153 3.9594 3.9594 4.7367 4.7367 5.0730 5.0730 5.7093 5.7093 6.0280 6.0280 6.7837 6.7837 10.6969 10.6969 11.5334 11.5334 12.0972 12.0972 13.1329 13.1329 k = 0.2644 0.4579-0.0000 ( 2644 PWs) bands (ev): -53.6684 -53.6684 -28.0020 -28.0020 -20.3492 -20.3492 -20.2802 -20.2802 -3.7771 -3.7771 -3.6175 -3.6175 3.9764 3.9764 4.7552 4.7552 5.1089 5.1089 5.6778 5.6778 6.0300 6.0300 6.8206 6.8206 10.6683 10.6683 11.5058 11.5058 12.1236 12.1236 13.1118 13.1118 k = 0.2586 0.4479-0.0000 ( 2644 PWs) bands (ev): -53.6685 -53.6685 -28.0015 -28.0015 -20.3482 -20.3482 -20.2789 -20.2789 -3.8036 -3.8036 -3.6193 -3.6193 3.9991 3.9991 4.7742 4.7742 5.1344 5.1344 5.6533 5.6533 6.0348 6.0348 6.8601 6.8601 10.6359 10.6359 11.4773 11.4773 12.1531 12.1531 13.0892 13.0892 k = 0.2529 0.4380-0.0000 ( 2642 PWs) bands (ev): -53.6686 -53.6686 -28.0010 -28.0010 -20.3469 -20.3469 -20.2775 -20.2775 -3.8325 -3.8325 -3.6207 -3.6207 4.0278 4.0278 4.7934 4.7934 5.1460 5.1460 5.6396 5.6396 6.0427 6.0427 6.9020 6.9020 10.6004 10.6004 11.4479 11.4479 12.1845 12.1845 13.0649 13.0649 k = 0.2471 0.4280-0.0000 ( 2642 PWs) bands (ev): -53.6687 -53.6687 -28.0005 -28.0005 -20.3455 -20.3455 -20.2762 -20.2762 -3.8636 -3.8636 -3.6219 -3.6219 4.0622 4.0622 4.8123 4.8123 5.1415 5.1415 5.6392 5.6392 6.0541 6.0541 6.9461 6.9461 10.5625 10.5625 11.4177 11.4177 12.2163 12.2163 13.0389 13.0389 k = 0.2414 0.4181-0.0000 ( 2642 PWs) bands (ev): -53.6688 -53.6688 -27.9999 -27.9999 -20.3440 -20.3440 -20.2748 -20.2748 -3.8970 -3.8970 -3.6228 -3.6228 4.1022 4.1022 4.8305 4.8305 5.1214 5.1214 5.6521 5.6521 6.0695 6.0695 6.9924 6.9924 10.5230 10.5230 11.3868 11.3868 12.2469 12.2469 13.0114 13.0114 k = 0.2356 0.4081-0.0000 ( 2642 PWs) bands (ev): -53.6689 -53.6689 -27.9993 -27.9993 -20.3421 -20.3421 -20.2735 -20.2735 -3.9323 -3.9323 -3.6235 -3.6235 4.1477 4.1477 4.8470 4.8470 5.0892 5.0892 5.6757 5.6757 6.0889 6.0889 7.0407 7.0407 10.4825 10.4825 11.3553 11.3553 12.2741 12.2741 12.9831 12.9831 k = 0.2299 0.3982-0.0000 ( 2646 PWs) bands (ev): -53.6690 -53.6690 -27.9986 -27.9986 -20.3402 -20.3402 -20.2722 -20.2722 -3.9694 -3.9694 -3.6241 -3.6241 4.1984 4.1984 4.8600 4.8600 5.0503 5.0503 5.7068 5.7068 6.1127 6.1127 7.0908 7.0908 10.4417 10.4417 11.3234 11.3234 12.2960 12.2960 12.9553 12.9553 k = 0.2241 0.3882-0.0000 ( 2644 PWs) bands (ev): -53.6692 -53.6692 -27.9979 -27.9979 -20.3381 -20.3381 -20.2708 -20.2708 -4.0081 -4.0081 -3.6245 -3.6245 4.2538 4.2538 4.8650 4.8650 5.0127 5.0127 5.7422 5.7422 6.1410 6.1410 7.1428 7.1428 10.4014 10.4014 11.2910 11.2910 12.3102 12.3102 12.9295 12.9295 k = 0.2184 0.3783-0.0000 ( 2648 PWs) bands (ev): -53.6693 -53.6693 -27.9972 -27.9972 -20.3358 -20.3358 -20.2695 -20.2695 -4.0483 -4.0483 -3.6248 -3.6248 4.3129 4.3129 4.8530 4.8530 4.9882 4.9882 5.7797 5.7797 6.1737 6.1737 7.1964 7.1964 10.3621 10.3621 11.2583 11.2583 12.3147 12.3147 12.9075 12.9075 k = 0.2126 0.3683-0.0000 ( 2650 PWs) bands (ev): -53.6695 -53.6695 -27.9965 -27.9965 -20.3333 -20.3333 -20.2681 -20.2681 -4.0898 -4.0898 -3.6250 -3.6250 4.3742 4.3742 4.8204 4.8204 4.9835 4.9835 5.8179 5.8179 6.2111 6.2111 7.2516 7.2516 10.3243 10.3243 11.2253 11.2253 12.3077 12.3077 12.8909 12.8909 k = 0.2069 0.3584-0.0000 ( 2650 PWs) bands (ev): -53.6696 -53.6696 -27.9956 -27.9956 -20.3307 -20.3307 -20.2668 -20.2668 -4.1324 -4.1324 -3.6250 -3.6250 4.4338 4.4338 4.7791 4.7791 4.9919 4.9919 5.8556 5.8556 6.2530 6.2530 7.3082 7.3082 10.2885 10.2885 11.1922 11.1922 12.2885 12.2885 12.8806 12.8806 k = 0.2011 0.3484-0.0000 ( 2650 PWs) bands (ev): -53.6698 -53.6698 -27.9948 -27.9948 -20.3279 -20.3279 -20.2654 -20.2654 -4.1760 -4.1760 -3.6250 -3.6250 4.4813 4.4813 4.7473 4.7473 5.0061 5.0061 5.8920 5.8920 6.2992 6.2992 7.3662 7.3662 10.2550 10.2550 11.1589 11.1589 12.2576 12.2576 12.8767 12.8767 k = 0.1954 0.3384-0.0000 ( 2654 PWs) bands (ev): -53.6699 -53.6699 -27.9940 -27.9940 -20.3251 -20.3251 -20.2640 -20.2640 -4.2204 -4.2204 -3.6248 -3.6248 4.4961 4.4961 4.7492 4.7492 5.0231 5.0231 5.9267 5.9267 6.3498 6.3498 7.4253 7.4253 10.2242 10.2242 11.1256 11.1256 12.2163 12.2163 12.8783 12.8783 k = 0.1897 0.3285-0.0000 ( 2652 PWs) bands (ev): -53.6701 -53.6701 -27.9931 -27.9931 -20.3221 -20.3221 -20.2625 -20.2625 -4.2654 -4.2654 -3.6246 -3.6246 4.4693 4.4693 4.7952 4.7952 5.0420 5.0420 5.9592 5.9592 6.4044 6.4044 7.4855 7.4855 10.1962 10.1962 11.0922 11.0922 12.1664 12.1664 12.8842 12.8842 k = 0.1839 0.3185-0.0000 ( 2652 PWs) bands (ev): -53.6703 -53.6703 -27.9922 -27.9922 -20.3191 -20.3191 -20.2611 -20.2611 -4.3109 -4.3109 -3.6244 -3.6244 4.4185 4.4185 4.8680 4.8680 5.0627 5.0627 5.9893 5.9893 6.4629 6.4629 7.5466 7.5466 10.1713 10.1713 11.0589 11.0589 12.1099 12.1099 12.8933 12.8933 k = 0.1782 0.3086-0.0000 ( 2649 PWs) bands (ev): -53.6704 -53.6704 -27.9912 -27.9912 -20.3160 -20.3160 -20.2595 -20.2595 -4.3566 -4.3566 -3.6240 -3.6240 4.3577 4.3577 4.9530 4.9530 5.0859 5.0859 6.0167 6.0167 6.5252 6.5252 7.6085 7.6085 10.1496 10.1496 11.0256 11.0256 12.0485 12.0485 12.9047 12.9047 k = 0.1724 0.2986-0.0000 ( 2653 PWs) bands (ev): -53.6706 -53.6706 -27.9903 -27.9903 -20.3129 -20.3129 -20.2580 -20.2580 -4.4025 -4.4025 -3.6237 -3.6237 4.2928 4.2928 5.0399 5.0399 5.1165 5.1165 6.0416 6.0416 6.5909 6.5909 7.6710 7.6710 10.1310 10.1310 10.9923 10.9923 11.9835 11.9835 12.9176 12.9176 k = 0.1667 0.2887-0.0000 ( 2657 PWs) bands (ev): -53.6708 -53.6708 -27.9894 -27.9894 -20.3099 -20.3099 -20.2563 -20.2563 -4.4484 -4.4484 -3.6232 -3.6232 4.2263 4.2263 5.1032 5.1032 5.1775 5.1775 6.0638 6.0638 6.6598 6.6598 7.7338 7.7338 10.1156 10.1156 10.9593 10.9593 11.9160 11.9160 12.9316 12.9316 k = 0.1609 0.2787-0.0000 ( 2663 PWs) bands (ev): -53.6710 -53.6710 -27.9885 -27.9885 -20.3069 -20.3069 -20.2545 -20.2545 -4.4941 -4.4941 -3.6228 -3.6228 4.1592 4.1592 5.1372 5.1372 5.2733 5.2733 6.0836 6.0836 6.7316 6.7316 7.7969 7.7969 10.1033 10.1033 10.9263 10.9263 11.8469 11.8469 12.9466 12.9466 k = 0.1552 0.2688-0.0000 ( 2659 PWs) bands (ev): -53.6712 -53.6712 -27.9875 -27.9875 -20.3039 -20.3039 -20.2526 -20.2526 -4.5395 -4.5395 -3.6223 -3.6223 4.0923 4.0923 5.1652 5.1652 5.3798 5.3798 6.1014 6.1014 6.8062 6.8062 7.8599 7.8599 10.0940 10.0940 10.8935 10.8935 11.7770 11.7770 12.9623 12.9623 k = 0.1494 0.2588-0.0000 ( 2655 PWs) bands (ev): -53.6713 -53.6713 -27.9865 -27.9865 -20.3011 -20.3011 -20.2505 -20.2505 -4.5844 -4.5844 -3.6217 -3.6217 4.0260 4.0260 5.1927 5.1927 5.4904 5.4904 6.1178 6.1178 6.8833 6.8833 7.9226 7.9226 10.0874 10.0874 10.8609 10.8609 11.7067 11.7067 12.9787 12.9787 k = 0.1437 0.2489-0.0000 ( 2671 PWs) bands (ev): -53.6715 -53.6715 -27.9857 -27.9857 -20.2985 -20.2985 -20.2484 -20.2484 -4.6288 -4.6288 -3.6212 -3.6212 3.9608 3.9608 5.2210 5.2210 5.6027 5.6027 6.1339 6.1339 6.9625 6.9625 7.9849 7.9849 10.0834 10.0834 10.8284 10.8284 11.6365 11.6365 12.9958 12.9958 k = 0.1379 0.2389-0.0000 ( 2675 PWs) bands (ev): -53.6717 -53.6717 -27.9847 -27.9847 -20.2960 -20.2960 -20.2461 -20.2461 -4.6724 -4.6724 -3.6206 -3.6206 3.8968 3.8968 5.2502 5.2502 5.7138 5.7138 6.1520 6.1520 7.0437 7.0437 8.0463 8.0463 10.0818 10.0818 10.7961 10.7961 11.5667 11.5667 13.0135 13.0135 k = 0.1322 0.2289-0.0000 ( 2675 PWs) bands (ev): -53.6719 -53.6719 -27.9838 -27.9838 -20.2937 -20.2937 -20.2435 -20.2435 -4.7152 -4.7152 -3.6201 -3.6201 3.8343 3.8343 5.2807 5.2807 5.8192 5.8192 6.1766 6.1766 7.1266 7.1266 8.1067 8.1067 10.0822 10.0822 10.7638 10.7638 11.4976 11.4976 13.0319 13.0319 k = 0.1264 0.2190-0.0000 ( 2667 PWs) bands (ev): -53.6721 -53.6721 -27.9827 -27.9827 -20.2915 -20.2915 -20.2408 -20.2408 -4.7571 -4.7571 -3.6195 -3.6195 3.7735 3.7735 5.3123 5.3123 5.9103 5.9103 6.2160 6.2160 7.2109 7.2109 8.1658 8.1658 10.0843 10.0843 10.7317 10.7317 11.4295 11.4295 13.0509 13.0509 k = 0.1207 0.2090-0.0000 ( 2663 PWs) bands (ev): -53.6722 -53.6722 -27.9817 -27.9817 -20.2896 -20.2896 -20.2379 -20.2379 -4.7978 -4.7978 -3.6190 -3.6190 3.7144 3.7144 5.3451 5.3451 5.9758 5.9758 6.2812 6.2812 7.2963 7.2963 8.2231 8.2231 10.0879 10.0879 10.6995 10.6995 11.3624 11.3624 13.0705 13.0705 k = 0.1149 0.1991-0.0000 ( 2659 PWs) bands (ev): -53.6724 -53.6724 -27.9808 -27.9808 -20.2878 -20.2878 -20.2349 -20.2349 -4.8374 -4.8374 -3.6184 -3.6184 3.6573 3.6573 5.3790 5.3790 6.0135 6.0135 6.3747 6.3747 7.3826 7.3826 8.2786 8.2786 10.0927 10.0927 10.6674 10.6674 11.2964 11.2964 13.0906 13.0906 k = 0.1092 0.1891-0.0000 ( 2663 PWs) bands (ev): -53.6726 -53.6726 -27.9799 -27.9799 -20.2864 -20.2864 -20.2318 -20.2318 -4.8757 -4.8757 -3.6179 -3.6179 3.6023 3.6023 5.4140 5.4140 6.0318 6.0318 6.4878 6.4878 7.4695 7.4695 8.3317 8.3317 10.0983 10.0983 10.6351 10.6351 11.2317 11.2317 13.1110 13.1110 k = 0.1034 0.1792-0.0000 ( 2667 PWs) bands (ev): -53.6728 -53.6728 -27.9791 -27.9791 -20.2851 -20.2851 -20.2287 -20.2287 -4.9126 -4.9126 -3.6173 -3.6173 3.5495 3.5495 5.4498 5.4498 6.0392 6.0392 6.6118 6.6118 7.5568 7.5568 8.3824 8.3824 10.1044 10.1044 10.6027 10.6027 11.1683 11.1683 13.1315 13.1315 k = 0.0977 0.1692-0.0000 ( 2671 PWs) bands (ev): -53.6729 -53.6729 -27.9783 -27.9783 -20.2839 -20.2839 -20.2255 -20.2255 -4.9480 -4.9480 -3.6168 -3.6168 3.4990 3.4990 5.4864 5.4864 6.0406 6.0406 6.7417 6.7417 7.6440 7.6440 8.4303 8.4303 10.1108 10.1108 10.5701 10.5701 11.1061 11.1061 13.1518 13.1518 k = 0.0920 0.1593-0.0000 ( 2667 PWs) bands (ev): -53.6731 -53.6731 -27.9774 -27.9774 -20.2829 -20.2829 -20.2223 -20.2223 -4.9819 -4.9819 -3.6163 -3.6163 3.4509 3.4509 5.5234 5.5234 6.0383 6.0383 6.8749 6.8749 7.7310 7.7310 8.4752 8.4752 10.1171 10.1171 10.5373 10.5373 11.0451 11.0451 13.1698 13.1698 k = 0.0862 0.1493-0.0000 ( 2663 PWs) bands (ev): -53.6732 -53.6732 -27.9766 -27.9766 -20.2820 -20.2820 -20.2191 -20.2191 -5.0141 -5.0141 -3.6159 -3.6159 3.4053 3.4053 5.5608 5.5608 6.0338 6.0338 7.0097 7.0097 7.8175 7.8175 8.5170 8.5170 10.1231 10.1231 10.5042 10.5042 10.9854 10.9854 13.1665 13.1665 k = 0.0805 0.1394-0.0000 ( 2659 PWs) bands (ev): -53.6734 -53.6734 -27.9758 -27.9758 -20.2812 -20.2812 -20.2160 -20.2160 -5.0446 -5.0446 -3.6154 -3.6154 3.3623 3.3623 5.5982 5.5982 6.0279 6.0279 7.1447 7.1447 7.9031 7.9031 8.5556 8.5556 10.1284 10.1284 10.4711 10.4711 10.9268 10.9268 13.1257 13.1257 k = 0.0747 0.1294-0.0000 ( 2661 PWs) bands (ev): -53.6735 -53.6735 -27.9751 -27.9751 -20.2806 -20.2806 -20.2129 -20.2129 -5.0734 -5.0734 -3.6150 -3.6150 3.3219 3.3219 5.6353 5.6353 6.0211 6.0211 7.2788 7.2788 7.9877 7.9877 8.5911 8.5911 10.1327 10.1327 10.4380 10.4380 10.8693 10.8693 13.0877 13.0877 k = 0.0690 0.1195-0.0000 ( 2661 PWs) bands (ev): -53.6736 -53.6736 -27.9744 -27.9744 -20.2800 -20.2800 -20.2100 -20.2100 -5.1002 -5.1002 -3.6147 -3.6147 3.2842 3.2842 5.6718 5.6718 6.0140 6.0140 7.4108 7.4108 8.0711 8.0711 8.6235 8.6235 10.1357 10.1357 10.4050 10.4050 10.8130 10.8130 13.0589 13.0589 k = 0.0632 0.1095-0.0000 ( 2661 PWs) bands (ev): -53.6737 -53.6737 -27.9737 -27.9737 -20.2795 -20.2795 -20.2072 -20.2072 -5.1251 -5.1251 -3.6143 -3.6143 3.2493 3.2493 5.7072 5.7072 6.0068 6.0068 7.5393 7.5393 8.1531 8.1531 8.6531 8.6531 10.1369 10.1369 10.3725 10.3725 10.7579 10.7579 13.0402 13.0402 k = 0.0575 0.0995-0.0000 ( 2659 PWs) bands (ev): -53.6738 -53.6738 -27.9731 -27.9731 -20.2791 -20.2791 -20.2046 -20.2046 -5.1481 -5.1481 -3.6140 -3.6140 3.2173 3.2173 5.7412 5.7412 5.9999 5.9999 7.6626 7.6626 8.2339 8.2339 8.6801 8.6801 10.1359 10.1359 10.3407 10.3407 10.7043 10.7043 13.0318 13.0318 k = 0.0517 0.0896-0.0000 ( 2659 PWs) bands (ev): -53.6739 -53.6739 -27.9726 -27.9726 -20.2788 -20.2788 -20.2022 -20.2022 -5.1690 -5.1690 -3.6137 -3.6137 3.1881 3.1881 5.7732 5.7732 5.9936 5.9936 7.7789 7.7789 8.3135 8.3135 8.7050 8.7050 10.1321 10.1321 10.3101 10.3101 10.6526 10.6526 13.0337 13.0337 k = 0.0460 0.0796-0.0000 ( 2659 PWs) bands (ev): -53.6740 -53.6740 -27.9721 -27.9721 -20.2785 -20.2785 -20.1999 -20.1999 -5.1879 -5.1879 -3.6134 -3.6134 3.1619 3.1619 5.8028 5.8028 5.9882 5.9882 7.8860 7.8860 8.3923 8.3923 8.7280 8.7280 10.1251 10.1251 10.2809 10.2809 10.6036 10.6036 13.0457 13.0457 k = 0.0402 0.0697-0.0000 ( 2669 PWs) bands (ev): -53.6741 -53.6741 -27.9718 -27.9718 -20.2783 -20.2783 -20.1980 -20.1980 -5.2046 -5.2046 -3.6132 -3.6132 3.1387 3.1387 5.8292 5.8292 5.9840 5.9840 7.9817 7.9817 8.4704 8.4704 8.7496 8.7496 10.1146 10.1146 10.2533 10.2533 10.5581 10.5581 13.0673 13.0673 k = 0.0345 0.0597-0.0000 ( 2671 PWs) bands (ev): -53.6742 -53.6742 -27.9714 -27.9714 -20.2781 -20.2781 -20.1963 -20.1963 -5.2192 -5.2192 -3.6130 -3.6130 3.1185 3.1185 5.8518 5.8518 5.9815 5.9815 8.0640 8.0640 8.5475 8.5475 8.7698 8.7698 10.1005 10.1005 10.2273 10.2273 10.5174 10.5174 13.0982 13.0982 k = 0.0287 0.0498-0.0000 ( 2671 PWs) bands (ev): -53.6743 -53.6743 -27.9711 -27.9711 -20.2780 -20.2780 -20.1947 -20.1947 -5.2316 -5.2316 -3.6128 -3.6128 3.1014 3.1014 5.8700 5.8700 5.9809 5.9809 8.1318 8.1318 8.6224 8.6224 8.7886 8.7886 10.0834 10.0834 10.2027 10.2027 10.4827 10.4827 13.1377 13.1377 k = 0.0230 0.0398-0.0000 ( 2675 PWs) bands (ev): -53.6743 -53.6743 -27.9708 -27.9708 -20.2779 -20.2779 -20.1935 -20.1935 -5.2417 -5.2417 -3.6127 -3.6127 3.0873 3.0873 5.8836 5.8836 5.9823 5.9823 8.1850 8.1850 8.6923 8.6923 8.8055 8.8055 10.0645 10.0645 10.1800 10.1800 10.4548 10.4548 13.1849 13.1849 k = 0.0172 0.0299-0.0000 ( 2675 PWs) bands (ev): -53.6743 -53.6743 -27.9706 -27.9706 -20.2778 -20.2778 -20.1925 -20.1925 -5.2497 -5.2497 -3.6126 -3.6126 3.0763 3.0763 5.8927 5.8927 5.9851 5.9851 8.2245 8.2245 8.7537 8.7537 8.8199 8.8199 10.0453 10.0453 10.1602 10.1602 10.4340 10.4340 13.2378 13.2378 k = 0.0115 0.0199-0.0000 ( 2667 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1918 -20.1918 -5.2553 -5.2553 -3.6125 -3.6125 3.0685 3.0685 5.8982 5.8982 5.9883 5.9883 8.2515 8.2515 8.8022 8.8022 8.8310 8.8310 10.0284 10.0284 10.1449 10.1449 10.4198 10.4198 13.2910 13.2910 k = 0.0057 0.0100-0.0000 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1913 -20.1913 -5.2588 -5.2588 -3.6125 -3.6125 3.0638 3.0638 5.9011 5.9011 5.9907 5.9907 8.2671 8.2671 8.8331 8.8331 8.8383 8.8383 10.0165 10.0165 10.1351 10.1351 10.4117 10.4117 13.3234 13.3234 k = 0.0000 0.0000 0.0000 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2777 -20.2777 -20.1912 -20.1912 -5.2599 -5.2599 -3.6125 -3.6125 3.0622 3.0622 5.9019 5.9019 5.9916 5.9916 8.2722 8.2722 8.8399 8.8399 8.8449 8.8449 10.0122 10.0122 10.1318 10.1318 10.4091 10.4091 13.3277 13.3277 k = 0.0000 0.0000 0.0000 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2777 -20.2777 -20.1912 -20.1912 -5.2599 -5.2599 -3.6125 -3.6125 3.0622 3.0622 5.9019 5.9019 5.9916 5.9916 8.2722 8.2722 8.8399 8.8399 8.8449 8.8449 10.0122 10.0122 10.1318 10.1318 10.4091 10.4091 13.3277 13.3277 k = 0.0000 0.0000 0.0113 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2777 -20.2777 -20.1912 -20.1912 -5.2590 -5.2590 -3.6141 -3.6141 3.0655 3.0655 5.9022 5.9022 5.9918 5.9918 8.2686 8.2686 8.8315 8.8315 8.8440 8.8440 10.0138 10.0138 10.1316 10.1316 10.4125 10.4125 13.3319 13.3319 k = 0.0000 0.0000 0.0226 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2776 -20.2776 -20.1912 -20.1912 -5.2564 -5.2564 -3.6190 -3.6190 3.0755 3.0755 5.9029 5.9029 5.9925 5.9925 8.2575 8.2575 8.8073 8.8073 8.8412 8.8412 10.0183 10.0183 10.1311 10.1311 10.4224 10.4224 13.3437 13.3437 k = 0.0000 0.0000 0.0339 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2776 -20.2776 -20.1912 -20.1912 -5.2520 -5.2520 -3.6270 -3.6270 3.0920 3.0920 5.9041 5.9041 5.9937 5.9937 8.2381 8.2381 8.7701 8.7701 8.8368 8.8368 10.0246 10.0246 10.1302 10.1302 10.4384 10.4384 13.3609 13.3609 k = 0.0000 0.0000 0.0452 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1913 -20.1913 -5.2459 -5.2459 -3.6382 -3.6382 3.1151 3.1151 5.9058 5.9058 5.9952 5.9952 8.2089 8.2089 8.7237 8.7237 8.8306 8.8306 10.0317 10.0317 10.1290 10.1290 10.4594 10.4594 13.3809 13.3809 k = 0.0000 0.0000 0.0566 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1913 -20.1913 -5.2381 -5.2381 -3.6524 -3.6524 3.1445 3.1445 5.9080 5.9080 5.9972 5.9972 8.1680 8.1680 8.6730 8.6730 8.8229 8.8229 10.0384 10.0384 10.1274 10.1274 10.4842 10.4842 13.4024 13.4024 k = 0.0000 0.0000 0.0679 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1913 -20.1913 -5.2286 -5.2286 -3.6694 -3.6694 3.1801 3.1801 5.9105 5.9105 5.9996 5.9996 8.1135 8.1135 8.6224 8.6224 8.8136 8.8136 10.0443 10.0443 10.1256 10.1256 10.5113 10.5113 13.4252 13.4252 k = 0.0000 0.0000 0.0792 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2777 -20.2777 -20.1913 -20.1913 -5.2175 -5.2175 -3.6892 -3.6892 3.2218 3.2218 5.9135 5.9135 6.0024 6.0024 8.0444 8.0444 8.5753 8.5753 8.8031 8.8031 10.0490 10.0490 10.1234 10.1234 10.5395 10.5395 13.4498 13.4498 k = 0.0000 0.0000 0.0905 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2777 -20.2777 -20.1912 -20.1912 -5.2047 -5.2047 -3.7115 -3.7115 3.2693 3.2693 5.9168 5.9168 6.0055 6.0055 7.9610 7.9610 8.5336 8.5336 8.7913 8.7913 10.0525 10.0525 10.1211 10.1211 10.5677 10.5677 13.4765 13.4765 k = 0.0000 0.0000 0.1018 ( 2659 PWs) bands (ev): -53.6744 -53.6744 -27.9702 -27.9702 -20.2776 -20.2776 -20.1911 -20.1911 -5.1905 -5.1905 -3.7362 -3.7362 3.3224 3.3224 5.9205 5.9205 6.0089 6.0089 7.8650 7.8650 8.4975 8.4975 8.7786 8.7786 10.0548 10.0548 10.1184 10.1184 10.5949 10.5949 13.5052 13.5052 k = 0.0000 0.0000 0.1131 ( 2659 PWs) bands (ev): -53.6744 -53.6744 -27.9702 -27.9702 -20.2777 -20.2777 -20.1911 -20.1911 -5.1747 -5.1747 -3.7629 -3.7629 3.3809 3.3809 5.9244 5.9244 6.0125 6.0125 7.7586 7.7586 8.4662 8.4662 8.7650 8.7650 10.0563 10.0563 10.1156 10.1156 10.6205 10.6205 13.5358 13.5358 k = 0.0000 0.0000 0.1244 ( 2653 PWs) bands (ev): -53.6744 -53.6744 -27.9702 -27.9702 -20.2776 -20.2776 -20.1911 -20.1911 -5.1576 -5.1576 -3.7915 -3.7915 3.4443 3.4443 5.9285 5.9285 6.0164 6.0164 7.6442 7.6442 8.4387 8.4387 8.7509 8.7509 10.0569 10.0569 10.1127 10.1127 10.6441 10.6441 13.5682 13.5682 k = 0.0000 0.0000 0.1357 ( 2653 PWs) bands (ev): -53.6744 -53.6744 -27.9702 -27.9702 -20.2776 -20.2776 -20.1911 -20.1911 -5.1392 -5.1392 -3.8218 -3.8218 3.5125 3.5125 5.9329 5.9329 6.0204 6.0204 7.5240 7.5240 8.4141 8.4141 8.7363 8.7363 10.0568 10.0568 10.1096 10.1096 10.6657 10.6657 13.6021 13.6021 k = 0.0000 0.0000 0.1470 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2777 -20.2777 -20.1912 -20.1912 -5.1196 -5.1196 -3.8533 -3.8533 3.5850 3.5850 5.9373 5.9373 6.0245 6.0245 7.3996 7.3996 8.3918 8.3918 8.7214 8.7214 10.0563 10.0563 10.1065 10.1065 10.6850 10.6850 13.6370 13.6370 k = 0.0000 0.0000 0.1583 ( 2671 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2778 -20.2778 -20.1912 -20.1912 -5.0989 -5.0989 -3.8859 -3.8859 3.6614 3.6614 5.9418 5.9418 6.0287 6.0287 7.2726 7.2726 8.3712 8.3712 8.7066 8.7066 10.0553 10.0553 10.1033 10.1033 10.7021 10.7021 13.6727 13.6727 k = 0.0000 0.0000 0.1697 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2778 -20.2778 -20.1912 -20.1912 -5.0773 -5.0773 -3.9192 -3.9192 3.7412 3.7412 5.9463 5.9463 6.0328 6.0328 7.1442 7.1442 8.3522 8.3522 8.6919 8.6919 10.0541 10.0541 10.1002 10.1002 10.7172 10.7172 13.7088 13.7088 k = 0.0000 0.0000 0.1810 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2778 -20.2778 -20.1912 -20.1912 -5.0550 -5.0550 -3.9530 -3.9530 3.8240 3.8240 5.9508 5.9508 6.0370 6.0370 7.0155 7.0155 8.3346 8.3346 8.6776 8.6776 10.0526 10.0526 10.0971 10.0971 10.7304 10.7304 13.7447 13.7447 k = 0.0000 0.0000 0.1923 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2778 -20.2778 -20.1912 -20.1912 -5.0322 -5.0322 -3.9867 -3.9867 3.9091 3.9091 5.9552 5.9552 6.0410 6.0410 6.8877 6.8877 8.3184 8.3184 8.6639 8.6639 10.0510 10.0510 10.0941 10.0941 10.7417 10.7417 13.7800 13.7800 k = 0.0000 0.0000 0.2036 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2779 -20.2779 -20.1913 -20.1913 -5.0093 -5.0093 -4.0200 -4.0200 3.9957 3.9957 5.9593 5.9593 6.0448 6.0448 6.7617 6.7617 8.3034 8.3034 8.6509 8.6509 10.0494 10.0494 10.0913 10.0913 10.7515 10.7515 13.8142 13.8142 k = 0.0000 0.0000 0.2149 ( 2683 PWs) bands (ev): -53.6744 -53.6744 -27.9705 -27.9705 -20.2780 -20.2780 -20.1913 -20.1913 -4.9864 -4.9864 -4.0525 -4.0525 4.0829 4.0829 5.9632 5.9632 6.0484 6.0484 6.6389 6.6389 8.2898 8.2898 8.6387 8.6387 10.0477 10.0477 10.0886 10.0886 10.7598 10.7598 13.8469 13.8469 k = 0.0000 0.0000 0.2262 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2779 -20.2779 -20.1913 -20.1913 -4.9640 -4.9640 -4.0836 -4.0836 4.1694 4.1694 5.9668 5.9668 6.0517 6.0517 6.5206 6.5206 8.2776 8.2776 8.6276 8.6276 10.0462 10.0462 10.0862 10.0862 10.7667 10.7667 13.8774 13.8774 k = 0.0000 0.0000 0.2375 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2779 -20.2779 -20.1913 -20.1913 -4.9426 -4.9426 -4.1127 -4.1127 4.2538 4.2538 5.9701 5.9701 6.0547 6.0547 6.4084 6.4084 8.2668 8.2668 8.6178 8.6178 10.0447 10.0447 10.0840 10.0840 10.7725 10.7725 13.9052 13.9053 k = 0.0000 0.0000 0.2488 ( 2677 PWs) bands (ev): -53.6744 -53.6744 -27.9704 -27.9704 -20.2779 -20.2779 -20.1913 -20.1913 -4.9228 -4.9228 -4.1393 -4.1393 4.3341 4.3341 5.9730 5.9730 6.0573 6.0573 6.3045 6.3045 8.2575 8.2575 8.6092 8.6092 10.0434 10.0434 10.0821 10.0821 10.7772 10.7772 13.9299 13.9299 k = 0.0000 0.0000 0.2601 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2778 -20.2778 -20.1913 -20.1913 -4.9051 -4.9051 -4.1626 -4.1626 4.4077 4.4077 5.9754 5.9754 6.0595 6.0595 6.2115 6.2115 8.2499 8.2499 8.6020 8.6020 10.0423 10.0423 10.0805 10.0805 10.7809 10.7809 13.9509 13.9509 k = 0.0000 0.0000 0.2714 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2778 -20.2778 -20.1913 -20.1913 -4.8904 -4.8904 -4.1818 -4.1818 4.4713 4.4713 5.9774 5.9774 6.0613 6.0613 6.1327 6.1327 8.2438 8.2438 8.5963 8.5963 10.0414 10.0414 10.0793 10.0793 10.7837 10.7837 13.9678 13.9678 k = 0.0000 0.0000 0.2828 ( 2665 PWs) bands (ev): -53.6744 -53.6744 -27.9703 -27.9703 -20.2778 -20.2778 -20.1913 -20.1913 -4.8792 -4.8792 -4.1962 -4.1962 4.5210 4.5210 5.9789 5.9789 6.0625 6.0625 6.0720 6.0720 8.2395 8.2395 8.5922 8.5922 10.0407 10.0407 10.0784 10.0784 10.7856 10.7856 13.9802 13.9802 k = 0.0000 0.0000 0.2941 ( 2653 PWs) bands (ev): -53.6744 -53.6744 -27.9701 -27.9701 -20.2777 -20.2777 -20.1912 -20.1912 -4.8722 -4.8722 -4.2051 -4.2051 4.5530 4.5530 5.9799 5.9799 6.0333 6.0333 6.0633 6.0633 8.2369 8.2369 8.5897 8.5897 10.0403 10.0403 10.0778 10.0778 10.7868 10.7868 13.9877 13.9877 k = 0.0000 0.0000 0.3054 ( 2654 PWs) bands (ev): -53.6744 -53.6744 -27.9701 -27.9701 -20.2776 -20.2776 -20.1913 -20.1913 -4.8698 -4.8698 -4.2081 -4.2081 4.5641 4.5641 5.9803 5.9803 6.0199 6.0199 6.0636 6.0636 8.2360 8.2360 8.5889 8.5889 10.0402 10.0402 10.0776 10.0776 10.7872 10.7872 13.9902 13.9902 k = 0.0000 0.0000 0.3054 ( 2654 PWs) bands (ev): -53.6744 -53.6744 -27.9701 -27.9701 -20.2776 -20.2776 -20.1913 -20.1913 -4.8698 -4.8698 -4.2081 -4.2081 4.5641 4.5641 5.9803 5.9803 6.0199 6.0199 6.0636 6.0636 8.2360 8.2360 8.5889 8.5889 10.0402 10.0402 10.0776 10.0776 10.7872 10.7872 13.9902 13.9902 k = 0.0100 0.0058 0.3054 ( 2650 PWs) bands (ev): -53.6744 -53.6744 -27.9701 -27.9701 -20.2776 -20.2776 -20.1914 -20.1914 -4.8687 -4.8687 -4.2078 -4.2078 4.5651 4.5651 5.9314 5.9314 6.0215 6.0215 6.1111 6.1111 8.2289 8.2289 8.5802 8.5802 10.0446 10.0446 10.0809 10.0809 10.7927 10.7927 13.9637 13.9637 k = 0.0200 0.0115 0.3054 ( 2646 PWs) bands (ev): -53.6743 -53.6743 -27.9702 -27.9702 -20.2777 -20.2777 -20.1917 -20.1917 -4.8653 -4.8653 -4.2070 -4.2070 4.5682 4.5682 5.8563 5.8563 6.0231 6.0231 6.1849 6.1849 8.2076 8.2076 8.5551 8.5551 10.0563 10.0563 10.0913 10.0913 10.8093 10.8093 13.8997 13.8997 k = 0.0300 0.0173 0.3054 ( 2646 PWs) bands (ev): -53.6743 -53.6743 -27.9703 -27.9703 -20.2778 -20.2778 -20.1924 -20.1924 -4.8598 -4.8598 -4.2056 -4.2056 4.5734 4.5734 5.7784 5.7784 6.0254 6.0254 6.2611 6.2611 8.1718 8.1718 8.5164 8.5164 10.0705 10.0705 10.1110 10.1110 10.8369 10.8369 13.8243 13.8243 k = 0.0400 0.0231 0.3054 ( 2642 PWs) bands (ev): -53.6743 -53.6743 -27.9705 -27.9705 -20.2778 -20.2778 -20.1934 -20.1934 -4.8520 -4.8520 -4.2036 -4.2036 4.5805 4.5805 5.7000 5.7000 6.0285 6.0285 6.3368 6.3368 8.1214 8.1214 8.4681 8.4681 10.0822 10.0822 10.1417 10.1417 10.8755 10.8755 13.7449 13.7449 k = 0.0500 0.0289 0.3054 ( 2646 PWs) bands (ev): -53.6742 -53.6742 -27.9708 -27.9708 -20.2780 -20.2780 -20.1947 -20.1947 -4.8421 -4.8421 -4.2011 -4.2011 4.5896 4.5896 5.6218 5.6218 6.0325 6.0325 6.4114 6.4114 8.0565 8.0565 8.4141 8.4141 10.0896 10.0896 10.1818 10.1818 10.9242 10.9242 13.6634 13.6634 k = 0.0600 0.0346 0.3054 ( 2652 PWs) bands (ev): -53.6742 -53.6742 -27.9712 -27.9712 -20.2783 -20.2783 -20.1962 -20.1962 -4.8300 -4.8300 -4.1980 -4.1980 4.6005 4.6005 5.5444 5.5444 6.0372 6.0372 6.4841 6.4841 7.9782 7.9782 8.3576 8.3576 10.0923 10.0923 10.2291 10.2291 10.9820 10.9820 13.5805 13.5805 k = 0.0700 0.0404 0.3054 ( 2656 PWs) bands (ev): -53.6741 -53.6741 -27.9716 -27.9716 -20.2785 -20.2785 -20.1980 -20.1980 -4.8159 -4.8159 -4.1944 -4.1944 4.6131 4.6131 5.4678 5.4678 6.0426 6.0426 6.5545 6.5545 7.8882 7.8882 8.3004 8.3004 10.0903 10.0903 10.2821 10.2821 11.0471 11.0471 13.4968 13.4968 k = 0.0800 0.0462 0.3054 ( 2664 PWs) bands (ev): -53.6740 -53.6740 -27.9721 -27.9721 -20.2788 -20.2788 -20.2001 -20.2001 -4.7996 -4.7996 -4.1902 -4.1902 4.6273 4.6273 5.3923 5.3923 6.0486 6.0486 6.6220 6.6220 7.7888 7.7888 8.2436 8.2436 10.0835 10.0835 10.3395 10.3395 11.1178 11.1178 13.4131 13.4131 k = 0.0900 0.0520 0.3054 ( 2656 PWs) bands (ev): -53.6739 -53.6739 -27.9726 -27.9726 -20.2790 -20.2790 -20.2023 -20.2023 -4.7813 -4.7813 -4.1855 -4.1855 4.6428 4.6428 5.3182 5.3182 6.0551 6.0551 6.6859 6.6859 7.6827 7.6827 8.1877 8.1877 10.0722 10.0722 10.4005 10.4005 11.1921 11.1921 13.3302 13.3302 k = 0.1000 0.0577 0.3054 ( 2660 PWs) bands (ev): -53.6738 -53.6738 -27.9731 -27.9731 -20.2794 -20.2794 -20.2047 -20.2047 -4.7611 -4.7611 -4.1802 -4.1802 4.6595 4.6595 5.2456 5.2456 6.0620 6.0620 6.7451 6.7451 7.5727 7.5727 8.1329 8.1329 10.0569 10.0569 10.4641 10.4641 11.2682 11.2682 13.2492 13.2492 k = 0.1100 0.0635 0.3054 ( 2656 PWs) bands (ev): -53.6737 -53.6737 -27.9737 -27.9737 -20.2798 -20.2798 -20.2073 -20.2073 -4.7390 -4.7390 -4.1745 -4.1745 4.6769 4.6769 5.1747 5.1747 6.0690 6.0690 6.7981 6.7981 7.4620 7.4620 8.0794 8.0794 10.0380 10.0380 10.5298 10.5298 11.3447 11.3447 13.1712 13.1712 k = 0.1200 0.0693 0.3054 ( 2648 PWs) bands (ev): -53.6736 -53.6736 -27.9743 -27.9743 -20.2802 -20.2802 -20.2101 -20.2101 -4.7150 -4.7150 -4.1682 -4.1682 4.6948 4.6948 5.1056 5.1056 6.0762 6.0762 6.8418 6.8418 7.3548 7.3548 8.0273 8.0273 10.0159 10.0159 10.5968 10.5968 11.4199 11.4199 13.0975 13.0975 k = 0.1300 0.0751 0.3054 ( 2652 PWs) bands (ev): -53.6735 -53.6735 -27.9750 -27.9750 -20.2808 -20.2808 -20.2130 -20.2130 -4.6893 -4.6893 -4.1614 -4.1614 4.7126 4.7126 5.0386 5.0386 6.0833 6.0833 6.8698 6.8698 7.2587 7.2587 7.9771 7.9771 9.9908 9.9908 10.6646 10.6646 11.4925 11.4925 13.0295 13.0295 k = 0.1400 0.0808 0.3054 ( 2644 PWs) bands (ev): -53.6733 -53.6733 -27.9756 -27.9756 -20.2815 -20.2815 -20.2159 -20.2159 -4.6619 -4.6619 -4.1541 -4.1541 4.7295 4.7295 4.9741 4.9741 6.0902 6.0902 6.8691 6.8691 7.1877 7.1877 7.9289 7.9289 9.9630 9.9630 10.7327 10.7327 11.5613 11.5613 12.9687 12.9687 k = 0.1500 0.0866 0.3054 ( 2642 PWs) bands (ev): -53.6732 -53.6732 -27.9764 -27.9764 -20.2823 -20.2823 -20.2190 -20.2190 -4.6329 -4.6329 -4.1462 -4.1462 4.7444 4.7444 4.9128 4.9128 6.0966 6.0966 6.8266 6.8266 7.1559 7.1559 7.8831 7.8831 9.9328 9.9328 10.8007 10.8007 11.6249 11.6249 12.9169 12.9169 k = 0.1600 0.0924 0.3054 ( 2642 PWs) bands (ev): -53.6730 -53.6730 -27.9772 -27.9772 -20.2833 -20.2833 -20.2221 -20.2221 -4.6026 -4.6026 -4.1379 -4.1379 4.7540 4.7540 4.8572 4.8572 6.1024 6.1024 6.7504 6.7504 7.1560 7.1560 7.8400 7.8400 9.9003 9.9003 10.8681 10.8681 11.6822 11.6822 12.8757 12.8757 k = 0.1700 0.0981 0.3054 ( 2642 PWs) bands (ev): -53.6729 -53.6729 -27.9780 -27.9780 -20.2844 -20.2844 -20.2252 -20.2252 -4.5709 -4.5709 -4.1289 -4.1289 4.7473 4.7473 4.8177 4.8177 6.1074 6.1074 6.6596 6.6596 7.1701 7.1701 7.8000 7.8000 9.8656 9.8656 10.9346 10.9346 11.7321 11.7321 12.8467 12.8467 k = 0.1800 0.1039 0.3054 ( 2644 PWs) bands (ev): -53.6727 -53.6727 -27.9789 -27.9789 -20.2858 -20.2858 -20.2282 -20.2282 -4.5381 -4.5381 -4.1194 -4.1194 4.7108 4.7108 4.8066 4.8066 6.1113 6.1113 6.5658 6.5658 7.1875 7.1875 7.7633 7.7633 9.8291 9.8291 10.9998 10.9998 11.7737 11.7737 12.8314 12.8314 k = 0.1900 0.1097 0.3054 ( 2644 PWs) bands (ev): -53.6726 -53.6726 -27.9798 -27.9798 -20.2873 -20.2873 -20.2311 -20.2311 -4.5042 -4.5042 -4.1093 -4.1093 4.6616 4.6616 4.8058 4.8058 6.1139 6.1139 6.4752 6.4752 7.2037 7.2037 7.7301 7.7301 9.7907 9.7907 11.0635 11.0635 11.8068 11.8068 12.8304 12.8304 k = 0.2000 0.1155 0.3054 ( 2648 PWs) bands (ev): -53.6724 -53.6724 -27.9807 -27.9807 -20.2892 -20.2892 -20.2339 -20.2339 -4.4696 -4.4696 -4.0984 -4.0984 4.6108 4.6108 4.8031 4.8031 6.1150 6.1150 6.3912 6.3912 7.2165 7.2165 7.7006 7.7006 9.7508 9.7508 11.1253 11.1253 11.8318 11.8318 12.8439 12.8439 k = 0.2100 0.1212 0.3054 ( 2652 PWs) bands (ev): -53.6722 -53.6722 -27.9817 -27.9817 -20.2913 -20.2913 -20.2366 -20.2366 -4.4345 -4.4345 -4.0868 -4.0868 4.5606 4.5606 4.7949 4.7949 6.1140 6.1140 6.3164 6.3164 7.2253 7.2253 7.6748 7.6748 9.7095 9.7095 11.1851 11.1851 11.8496 11.8496 12.8711 12.8711 k = 0.2200 0.1270 0.3054 ( 2652 PWs) bands (ev): -53.6720 -53.6720 -27.9827 -27.9827 -20.2936 -20.2936 -20.2390 -20.2390 -4.3991 -4.3991 -4.0742 -4.0742 4.5116 4.5116 4.7797 4.7797 6.1105 6.1105 6.2531 6.2531 7.2297 7.2297 7.6525 7.6525 9.6673 9.6673 11.2427 11.2427 11.8621 11.8621 12.9107 12.9107 k = 0.2300 0.1328 0.3054 ( 2648 PWs) bands (ev): -53.6719 -53.6719 -27.9836 -27.9836 -20.2962 -20.2962 -20.2411 -20.2411 -4.3637 -4.3637 -4.0606 -4.0606 4.4637 4.4637 4.7566 4.7566 6.1034 6.1034 6.2031 6.2031 7.2300 7.2300 7.6336 7.6336 9.6243 9.6243 11.2979 11.2979 11.8708 11.8708 12.9610 12.9610 k = 0.2400 0.1386 0.3054 ( 2648 PWs) bands (ev): -53.6717 -53.6717 -27.9845 -27.9845 -20.2991 -20.2991 -20.2430 -20.2430 -4.3288 -4.3288 -4.0456 -4.0456 4.4166 4.4166 4.7258 4.7258 6.0918 6.0918 6.1679 6.1679 7.2265 7.2265 7.6178 7.6178 9.5811 9.5811 11.3505 11.3505 11.8776 11.8776 13.0203 13.0203 k = 0.2500 0.1443 0.3054 ( 2644 PWs) bands (ev): -53.6715 -53.6715 -27.9855 -27.9855 -20.3022 -20.3022 -20.2447 -20.2447 -4.2948 -4.2948 -4.0290 -4.0290 4.3697 4.3697 4.6882 4.6882 6.0765 6.0765 6.1460 6.1460 7.2198 7.2198 7.6045 7.6045 9.5379 9.5379 11.4004 11.4004 11.8837 11.8837 13.0871 13.0871 k = 0.2600 0.1501 0.3054 ( 2644 PWs) bands (ev): -53.6713 -53.6713 -27.9864 -27.9864 -20.3055 -20.3055 -20.2462 -20.2462 -4.2622 -4.2622 -4.0105 -4.0105 4.3221 4.3221 4.6455 4.6455 6.0616 6.0616 6.1328 6.1328 7.2106 7.2106 7.5937 7.5937 9.4951 9.4951 11.4477 11.4477 11.8905 11.8905 13.1601 13.1601 k = 0.2700 0.1559 0.3054 ( 2644 PWs) bands (ev): -53.6711 -53.6711 -27.9874 -27.9874 -20.3090 -20.3090 -20.2475 -20.2475 -4.2315 -4.2315 -3.9897 -3.9897 4.2729 4.2729 4.5999 4.5999 6.0494 6.0494 6.1242 6.1242 7.1994 7.1994 7.5851 7.5851 9.4530 9.4530 11.4923 11.4923 11.8986 11.8986 13.2381 13.2381 k = 0.2800 0.1617 0.3054 ( 2642 PWs) bands (ev): -53.6710 -53.6710 -27.9883 -27.9883 -20.3126 -20.3126 -20.2486 -20.2486 -4.2032 -4.2032 -3.9664 -3.9664 4.2208 4.2208 4.5541 4.5541 6.0397 6.0397 6.1188 6.1188 7.1869 7.1869 7.5785 7.5785 9.4120 9.4120 11.5342 11.5342 11.9086 11.9086 13.3199 13.3199 k = 0.2900 0.1674 0.3054 ( 2646 PWs) bands (ev): -53.6708 -53.6708 -27.9893 -27.9893 -20.3164 -20.3164 -20.2495 -20.2495 -4.1776 -4.1776 -3.9404 -3.9404 4.1648 4.1648 4.5107 4.5107 6.0310 6.0310 6.1163 6.1163 7.1737 7.1737 7.5740 7.5740 9.3723 9.3723 11.5736 11.5736 11.9207 11.9207 13.4038 13.4038 k = 0.3000 0.1732 0.3054 ( 2640 PWs) bands (ev): -53.6706 -53.6706 -27.9902 -27.9902 -20.3201 -20.3201 -20.2503 -20.2503 -4.1548 -4.1548 -3.9119 -3.9119 4.1045 4.1045 4.4716 4.4716 6.0217 6.0217 6.1163 6.1163 7.1605 7.1605 7.5715 7.5715 9.3341 9.3341 11.6105 11.6105 11.9351 11.9351 13.4865 13.4865 k = 0.3100 0.1790 0.3054 ( 2646 PWs) bands (ev): -53.6704 -53.6704 -27.9911 -27.9911 -20.3240 -20.3240 -20.2510 -20.2510 -4.1346 -4.1346 -3.8811 -3.8811 4.0399 4.0399 4.4379 4.4379 6.0111 6.0111 6.1179 6.1179 7.1482 7.1482 7.5712 7.5712 9.2974 9.2974 11.6452 11.6452 11.9517 11.9517 13.5554 13.5554 k = 0.3200 0.1848 0.3054 ( 2650 PWs) bands (ev): -53.6703 -53.6703 -27.9921 -27.9921 -20.3278 -20.3278 -20.2516 -20.2516 -4.1170 -4.1170 -3.8486 -3.8486 3.9719 3.9719 4.4100 4.4100 5.9988 5.9988 6.1198 6.1198 7.1376 7.1376 7.5729 7.5729 9.2624 9.2624 11.6781 11.6781 11.9705 11.9705 13.5893 13.5893 k = 0.3300 0.1905 0.3054 ( 2646 PWs) bands (ev): -53.6701 -53.6701 -27.9929 -27.9929 -20.3315 -20.3315 -20.2520 -20.2520 -4.1014 -4.1014 -3.8148 -3.8148 3.9016 3.9016 4.3876 4.3876 5.9853 5.9853 6.1204 6.1204 7.1296 7.1296 7.5766 7.5766 9.2291 9.2291 11.7093 11.7093 11.9911 11.9911 13.6046 13.6046 k = 0.3400 0.1963 0.3054 ( 2638 PWs) bands (ev): -53.6700 -53.6700 -27.9936 -27.9936 -20.3351 -20.3351 -20.2524 -20.2524 -4.0877 -4.0877 -3.7803 -3.7803 3.8302 3.8302 4.3703 4.3703 5.9709 5.9709 6.1182 6.1182 7.1248 7.1248 7.5823 7.5823 9.1975 9.1975 11.7392 11.7392 12.0135 12.0135 13.6158 13.6158 k = 0.3500 0.2021 0.3054 ( 2644 PWs) bands (ev): -53.6698 -53.6698 -27.9945 -27.9945 -20.3388 -20.3388 -20.2527 -20.2527 -4.0755 -4.0755 -3.7457 -3.7457 3.7589 3.7589 4.3575 4.3575 5.9557 5.9557 6.1123 6.1123 7.1238 7.1238 7.5898 7.5898 9.1674 9.1674 11.7681 11.7681 12.0373 12.0373 13.6258 13.6258 k = 0.3600 0.2078 0.3054 ( 2642 PWs) bands (ev): -53.6697 -53.6697 -27.9953 -27.9953 -20.3422 -20.3422 -20.2530 -20.2530 -4.0647 -4.0647 -3.7113 -3.7113 3.6887 3.6887 4.3486 4.3486 5.9402 5.9402 6.1022 6.1022 7.1268 7.1268 7.5990 7.5990 9.1389 9.1389 11.7962 11.7962 12.0623 12.0623 13.6354 13.6354 k = 0.3700 0.2136 0.3054 ( 2646 PWs) bands (ev): -53.6695 -53.6695 -27.9960 -27.9960 -20.3456 -20.3456 -20.2532 -20.2532 -4.0549 -4.0549 -3.6775 -3.6775 3.6204 3.6204 4.3433 4.3433 5.9245 5.9245 6.0877 6.0877 7.1337 7.1337 7.6098 7.6098 9.1118 9.1118 11.8236 11.8236 12.0883 12.0883 13.6445 13.6445 k = 0.3800 0.2194 0.3054 ( 2646 PWs) bands (ev): -53.6694 -53.6694 -27.9967 -27.9967 -20.3487 -20.3487 -20.2534 -20.2534 -4.0462 -4.0462 -3.6449 -3.6449 3.5549 3.5549 4.3409 4.3409 5.9086 5.9086 6.0694 6.0694 7.1442 7.1442 7.6219 7.6219 9.0862 9.0862 11.8505 11.8505 12.1152 12.1152 13.6529 13.6529 k = 0.3900 0.2252 0.3054 ( 2640 PWs) bands (ev): -53.6693 -53.6693 -27.9973 -27.9973 -20.3516 -20.3516 -20.2535 -20.2535 -4.0383 -4.0383 -3.6136 -3.6136 3.4926 3.4926 4.3412 4.3412 5.8928 5.8928 6.0480 6.0480 7.1575 7.1575 7.6353 7.6353 9.0619 9.0619 11.8767 11.8767 12.1429 12.1429 13.6599 13.6599 k = 0.4000 0.2309 0.3054 ( 2646 PWs) bands (ev): -53.6692 -53.6692 -27.9979 -27.9979 -20.3544 -20.3544 -20.2536 -20.2536 -4.0313 -4.0313 -3.5840 -3.5840 3.4342 3.4342 4.3436 4.3436 5.8769 5.8769 6.0246 6.0246 7.1728 7.1728 7.6495 7.6495 9.0389 9.0389 11.9022 11.9022 12.1712 12.1712 13.6638 13.6638 k = 0.4100 0.2367 0.3054 ( 2640 PWs) bands (ev): -53.6691 -53.6691 -27.9984 -27.9984 -20.3570 -20.3570 -20.2537 -20.2537 -4.0250 -4.0250 -3.5563 -3.5563 3.3801 3.3801 4.3478 4.3478 5.8610 5.8610 6.0003 6.0003 7.1892 7.1892 7.6645 7.6645 9.0174 9.0174 11.9267 11.9267 12.2002 12.2002 13.6592 13.6592 k = 0.4200 0.2425 0.3054 ( 2648 PWs) bands (ev): -53.6690 -53.6690 -27.9990 -27.9990 -20.3594 -20.3594 -20.2538 -20.2538 -4.0195 -4.0195 -3.5308 -3.5308 3.3307 3.3307 4.3533 4.3533 5.8449 5.8449 5.9764 5.9764 7.2059 7.2059 7.6798 7.6798 8.9973 8.9973 11.9500 11.9500 12.2296 12.2296 13.6322 13.6322 k = 0.4300 0.2483 0.3054 ( 2652 PWs) bands (ev): -53.6689 -53.6689 -27.9995 -27.9995 -20.3614 -20.3614 -20.2538 -20.2538 -4.0146 -4.0146 -3.5078 -3.5078 3.2863 3.2863 4.3597 4.3597 5.8287 5.8287 5.9541 5.9541 7.2222 7.2222 7.6951 7.6951 8.9788 8.9788 11.9716 11.9716 12.2592 12.2592 13.5812 13.5812 k = 0.4400 0.2540 0.3054 ( 2654 PWs) bands (ev): -53.6688 -53.6688 -27.9999 -27.9999 -20.3633 -20.3633 -20.2539 -20.2539 -4.0104 -4.0104 -3.4874 -3.4874 3.2472 3.2472 4.3664 4.3664 5.8126 5.8126 5.9343 5.9343 7.2373 7.2373 7.7099 7.7099 8.9620 8.9620 11.9911 11.9911 12.2886 12.2886 13.5230 13.5230 k = 0.4500 0.2598 0.3054 ( 2650 PWs) bands (ev): -53.6688 -53.6688 -28.0002 -28.0002 -20.3648 -20.3648 -20.2539 -20.2539 -4.0069 -4.0069 -3.4698 -3.4698 3.2137 3.2137 4.3732 4.3732 5.7969 5.7969 5.9176 5.9176 7.2508 7.2508 7.7237 7.7237 8.9472 8.9472 12.0083 12.0083 12.3171 12.3171 13.4662 13.4662 k = 0.4600 0.2656 0.3054 ( 2654 PWs) bands (ev): -53.6687 -53.6687 -28.0005 -28.0005 -20.3661 -20.3661 -20.2540 -20.2540 -4.0041 -4.0041 -3.4552 -3.4552 3.1861 3.1861 4.3795 4.3795 5.7824 5.7824 5.9042 5.9042 7.2623 7.2623 7.7359 7.7359 8.9346 8.9346 12.0228 12.0228 12.3436 12.3436 13.4147 13.4147 k = 0.4700 0.2714 0.3054 ( 2658 PWs) bands (ev): -53.6687 -53.6687 -28.0007 -28.0007 -20.3671 -20.3671 -20.2540 -20.2540 -4.0018 -4.0018 -3.4437 -3.4437 3.1643 3.1643 4.3849 4.3849 5.7700 5.7700 5.8941 5.8941 7.2714 7.2714 7.7461 7.7461 8.9245 8.9245 12.0343 12.0343 12.3668 12.3668 13.3710 13.3710 k = 0.4800 0.2771 0.3054 ( 2662 PWs) bands (ev): -53.6687 -53.6687 -28.0009 -28.0009 -20.3679 -20.3679 -20.2540 -20.2540 -4.0003 -4.0003 -3.4354 -3.4354 3.1487 3.1487 4.3890 4.3890 5.7604 5.7604 5.8871 5.8871 7.2780 7.2780 7.7538 7.7538 8.9171 8.9171 12.0427 12.0427 12.3851 12.3851 13.3376 13.3376 k = 0.4900 0.2829 0.3054 ( 2656 PWs) bands (ev): -53.6687 -53.6687 -28.0010 -28.0010 -20.3682 -20.3682 -20.2540 -20.2540 -3.9993 -3.9993 -3.4304 -3.4304 3.1393 3.1393 4.3916 4.3916 5.7543 5.7543 5.8829 5.8829 7.2821 7.2821 7.7585 7.7585 8.9126 8.9126 12.0477 12.0477 12.3970 12.3970 13.3166 13.3166 k = 0.5000 0.2887 0.3054 ( 2652 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2540 -20.2540 -3.9990 -3.9990 -3.4287 -3.4287 3.1362 3.1362 4.3925 4.3925 5.7523 5.7523 5.8816 5.8816 7.2834 7.2834 7.7602 7.7602 8.9111 8.9111 12.0494 12.0494 12.4010 12.4010 13.3094 13.3094 k = 0.5000 0.2887 0.3054 ( 2652 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2540 -20.2540 -3.9990 -3.9990 -3.4287 -3.4287 3.1362 3.1362 4.3925 4.3925 5.7523 5.7523 5.8816 5.8816 7.2834 7.2834 7.7602 7.7602 8.9111 8.9111 12.0494 12.0494 12.4010 12.4010 13.3094 13.3094 k = 0.4943 0.2986 0.3054 ( 2654 PWs) bands (ev): -53.6686 -53.6686 -28.0010 -28.0010 -20.3683 -20.3683 -20.2541 -20.2541 -3.9983 -3.9983 -3.4290 -3.4290 3.1380 3.1380 4.3926 4.3926 5.7522 5.7522 5.8810 5.8810 7.2783 7.2783 7.7523 7.7523 8.9195 8.9195 12.0475 12.0475 12.3993 12.3993 13.3163 13.3163 k = 0.4885 0.3086 0.3054 ( 2654 PWs) bands (ev): -53.6686 -53.6686 -28.0010 -28.0010 -20.3682 -20.3682 -20.2544 -20.2544 -3.9962 -3.9962 -3.4297 -3.4297 3.1433 3.1433 4.3931 4.3931 5.7521 5.7521 5.8795 5.8795 7.2627 7.2627 7.7299 7.7299 8.9441 8.9441 12.0418 12.0418 12.3942 12.3942 13.3365 13.3365 k = 0.4828 0.3185 0.3054 ( 2656 PWs) bands (ev): -53.6686 -53.6686 -28.0011 -28.0011 -20.3680 -20.3680 -20.2549 -20.2549 -3.9928 -3.9928 -3.4309 -3.4309 3.1521 3.1521 4.3939 4.3939 5.7517 5.7517 5.8769 5.8769 7.2365 7.2365 7.6956 7.6956 8.9825 8.9825 12.0326 12.0326 12.3856 12.3856 13.3683 13.3683 k = 0.4770 0.3285 0.3054 ( 2656 PWs) bands (ev): -53.6686 -53.6686 -28.0011 -28.0011 -20.3677 -20.3677 -20.2556 -20.2556 -3.9881 -3.9881 -3.4325 -3.4325 3.1644 3.1644 4.3951 4.3951 5.7510 5.7510 5.8734 5.8734 7.1991 7.1991 7.6531 7.6531 9.0319 9.0319 12.0205 12.0205 12.3736 12.3736 13.4082 13.4082 k = 0.4713 0.3384 0.3054 ( 2652 PWs) bands (ev): -53.6686 -53.6686 -28.0012 -28.0012 -20.3673 -20.3673 -20.2564 -20.2564 -3.9820 -3.9820 -3.4346 -3.4346 3.1803 3.1803 4.3965 4.3965 5.7498 5.7498 5.8691 5.8691 7.1507 7.1507 7.6058 7.6058 9.0897 9.0897 12.0060 12.0060 12.3581 12.3581 13.4483 13.4483 k = 0.4655 0.3484 0.3054 ( 2652 PWs) bands (ev): -53.6686 -53.6686 -28.0013 -28.0013 -20.3668 -20.3668 -20.2574 -20.2574 -3.9746 -3.9746 -3.4372 -3.4372 3.1995 3.1995 4.3982 4.3982 5.7479 5.7479 5.8641 5.8641 7.0918 7.0918 7.5563 7.5563 9.1534 9.1534 11.9893 11.9893 12.3391 12.3391 13.4729 13.4729 k = 0.4598 0.3584 0.3054 ( 2652 PWs) bands (ev): -53.6686 -53.6686 -28.0014 -28.0014 -20.3663 -20.3663 -20.2586 -20.2586 -3.9660 -3.9660 -3.4403 -3.4403 3.2223 3.2223 4.4000 4.4000 5.7451 5.7451 5.8582 5.8582 7.0236 7.0236 7.5061 7.5061 9.2214 9.2214 11.9708 11.9708 12.3164 12.3164 13.4708 13.4708 k = 0.4540 0.3683 0.3054 ( 2644 PWs) bands (ev): -53.6685 -53.6685 -28.0014 -28.0014 -20.3656 -20.3656 -20.2599 -20.2599 -3.9561 -3.9561 -3.4438 -3.4438 3.2484 3.2484 4.4021 4.4021 5.7411 5.7411 5.8514 5.8514 6.9483 6.9483 7.4557 7.4557 9.2923 9.2923 11.9504 11.9504 12.2901 12.2901 13.4525 13.4525 k = 0.4483 0.3783 0.3054 ( 2644 PWs) bands (ev): -53.6685 -53.6685 -28.0016 -28.0016 -20.3649 -20.3649 -20.2614 -20.2614 -3.9452 -3.9452 -3.4478 -3.4478 3.2779 3.2779 4.4043 4.4043 5.7358 5.7358 5.8432 5.8432 6.8682 6.8682 7.4052 7.4052 9.3653 9.3653 11.9281 11.9281 12.2599 12.2599 13.4307 13.4307 k = 0.4425 0.3882 0.3054 ( 2636 PWs) bands (ev): -53.6685 -53.6685 -28.0017 -28.0017 -20.3641 -20.3641 -20.2629 -20.2629 -3.9331 -3.9331 -3.4522 -3.4522 3.3106 3.3106 4.4066 4.4066 5.7289 5.7289 5.8330 5.8330 6.7863 6.7863 7.3542 7.3542 9.4399 9.4399 11.9034 11.9034 12.2260 12.2260 13.4118 13.4118 k = 0.4368 0.3982 0.3054 ( 2628 PWs) bands (ev): -53.6684 -53.6684 -28.0018 -28.0018 -20.3633 -20.3633 -20.2646 -20.2646 -3.9201 -3.9201 -3.4571 -3.4571 3.3467 3.3467 4.4090 4.4090 5.7200 5.7200 5.8201 5.8201 6.7054 6.7054 7.3025 7.3025 9.5156 9.5156 11.8762 11.8762 12.1884 12.1884 13.3991 13.3991 k = 0.4310 0.4081 0.3054 ( 2636 PWs) bands (ev): -53.6684 -53.6684 -28.0020 -28.0020 -20.3625 -20.3625 -20.2665 -20.2665 -3.9060 -3.9060 -3.4624 -3.4624 3.3858 3.3858 4.4114 4.4114 5.7080 5.7080 5.8040 5.8040 6.6286 6.6286 7.2498 7.2498 9.5924 9.5924 11.8461 11.8461 12.1472 12.1472 13.3946 13.3946 k = 0.4253 0.4181 0.3054 ( 2636 PWs) bands (ev): -53.6683 -53.6683 -28.0022 -28.0022 -20.3616 -20.3616 -20.2684 -20.2684 -3.8912 -3.8912 -3.4682 -3.4682 3.4282 3.4282 4.4137 4.4137 5.6906 5.6906 5.7853 5.7853 6.5588 6.5588 7.1961 7.1961 9.6700 9.6700 11.8128 11.8128 12.1028 12.1028 13.3994 13.3994 k = 0.4195 0.4280 0.3054 ( 2636 PWs) bands (ev): -53.6683 -53.6683 -28.0024 -28.0024 -20.3607 -20.3607 -20.2704 -20.2704 -3.8756 -3.8756 -3.4744 -3.4744 3.4735 3.4735 4.4159 4.4159 5.6638 5.6638 5.7665 5.7665 6.4987 6.4987 7.1415 7.1415 9.7486 9.7486 11.7762 11.7762 12.0553 12.0553 13.4140 13.4140 k = 0.4138 0.4380 0.3054 ( 2644 PWs) bands (ev): -53.6683 -53.6683 -28.0027 -28.0027 -20.3598 -20.3598 -20.2724 -20.2724 -3.8593 -3.8593 -3.4810 -3.4810 3.5218 3.5218 4.4180 4.4180 5.6233 5.6233 5.7509 5.7509 6.4502 6.4502 7.0862 7.0862 9.8281 9.8281 11.7365 11.7365 12.0051 12.0051 13.4387 13.4387 k = 0.4080 0.4479 0.3054 ( 2640 PWs) bands (ev): -53.6682 -53.6682 -28.0029 -28.0029 -20.3589 -20.3589 -20.2744 -20.2744 -3.8425 -3.8425 -3.4879 -3.4879 3.5729 3.5729 4.4199 4.4199 5.5681 5.5681 5.7396 5.7396 6.4138 6.4138 7.0303 7.0303 9.9086 9.9086 11.6937 11.6937 11.9527 11.9527 13.4734 13.4734 k = 0.4023 0.4579 0.3054 ( 2640 PWs) bands (ev): -53.6682 -53.6682 -28.0031 -28.0031 -20.3579 -20.3579 -20.2764 -20.2764 -3.8252 -3.8252 -3.4953 -3.4953 3.6269 3.6269 4.4216 4.4216 5.5004 5.5004 5.7319 5.7319 6.3888 6.3888 6.9743 6.9743 9.9902 9.9902 11.6481 11.6481 11.8984 11.8984 13.5175 13.5175 k = 0.3966 0.4679 0.3054 ( 2644 PWs) bands (ev): -53.6682 -53.6682 -28.0033 -28.0033 -20.3571 -20.3571 -20.2783 -20.2783 -3.8076 -3.8076 -3.5031 -3.5031 3.6834 3.6834 4.4231 4.4231 5.4229 5.4229 5.7267 5.7267 6.3738 6.3738 6.9185 6.9185 10.0729 10.0729 11.6001 11.6001 11.8427 11.8427 13.5705 13.5705 k = 0.3908 0.4778 0.3054 ( 2640 PWs) bands (ev): -53.6681 -53.6681 -28.0034 -28.0034 -20.3561 -20.3561 -20.2802 -20.2802 -3.7899 -3.7899 -3.5111 -3.5111 3.7425 3.7425 4.4242 4.4242 5.3386 5.3386 5.7236 5.7236 6.3669 6.3669 6.8633 6.8633 10.1568 10.1568 11.5500 11.5500 11.7863 11.7863 13.6317 13.6317 k = 0.3851 0.4878 0.3054 ( 2640 PWs) bands (ev): -53.6681 -53.6681 -28.0036 -28.0036 -20.3553 -20.3553 -20.2820 -20.2820 -3.7722 -3.7722 -3.5195 -3.5195 3.8040 3.8040 4.4251 4.4251 5.2497 5.2497 5.7220 5.7220 6.3663 6.3663 6.8094 6.8094 10.2418 10.2418 11.4981 11.4981 11.7296 11.7296 13.7002 13.7002 k = 0.3793 0.4977 0.3054 ( 2644 PWs) bands (ev): -53.6681 -53.6681 -28.0038 -28.0038 -20.3546 -20.3546 -20.2838 -20.2838 -3.7546 -3.7546 -3.5281 -3.5281 3.8678 3.8678 4.4256 4.4256 5.1583 5.1583 5.7218 5.7218 6.3707 6.3707 6.7572 6.7572 10.3279 10.3279 11.4448 11.4448 11.6731 11.6731 13.7753 13.7753 k = 0.3736 0.5077 0.3054 ( 2644 PWs) bands (ev): -53.6680 -53.6680 -28.0040 -28.0040 -20.3539 -20.3539 -20.2853 -20.2853 -3.7374 -3.7374 -3.5369 -3.5369 3.9336 3.9336 4.4257 4.4257 5.0660 5.0660 5.7226 5.7226 6.3786 6.3786 6.7074 6.7074 10.4150 10.4150 11.3905 11.3905 11.6174 11.6174 13.8561 13.8561 k = 0.3678 0.5176 0.3054 ( 2648 PWs) bands (ev): -53.6680 -53.6680 -28.0042 -28.0042 -20.3533 -20.3533 -20.2867 -20.2867 -3.7207 -3.7207 -3.5458 -3.5458 4.0013 4.0013 4.4255 4.4255 4.9739 4.9739 5.7242 5.7242 6.3892 6.3892 6.6605 6.6605 10.5029 10.5029 11.3357 11.3357 11.5631 11.5631 13.9416 13.9416 k = 0.3621 0.5276 0.3054 ( 2648 PWs) bands (ev): -53.6680 -53.6680 -28.0043 -28.0043 -20.3528 -20.3528 -20.2879 -20.2879 -3.7049 -3.7049 -3.5547 -3.5547 4.0706 4.0706 4.4250 4.4250 4.8833 4.8833 5.7263 5.7263 6.4015 6.4015 6.6171 6.6171 10.5910 10.5910 11.2807 11.2807 11.5107 11.5107 14.0311 14.0311 k = 0.3563 0.5375 0.3054 ( 2644 PWs) bands (ev): -53.6680 -53.6680 -28.0044 -28.0044 -20.3524 -20.3524 -20.2888 -20.2888 -3.6904 -3.6904 -3.5633 -3.5633 4.1409 4.1409 4.4244 4.4244 4.7950 4.7950 5.7286 5.7286 6.4150 6.4150 6.5782 6.5782 10.6787 10.6787 11.2263 11.2263 11.4609 11.4609 14.1235 14.1235 k = 0.3506 0.5475 0.3054 ( 2640 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3521 -20.3521 -20.2896 -20.2896 -3.6775 -3.6775 -3.5712 -3.5712 4.2113 4.2113 4.4239 4.4239 4.7101 4.7101 5.7308 5.7308 6.4289 6.4289 6.5443 6.5443 10.7642 10.7642 11.1733 11.1733 11.4150 11.4150 14.2179 14.2179 k = 0.3448 0.5574 0.3054 ( 2636 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3518 -20.3518 -20.2901 -20.2901 -3.6671 -3.6671 -3.5779 -3.5779 4.2791 4.2791 4.4252 4.4252 4.6300 4.6300 5.7325 5.7325 6.4424 6.4424 6.5164 6.5164 10.8441 10.8441 11.1240 11.1240 11.3746 11.3746 14.3130 14.3130 k = 0.3391 0.5674 0.3054 ( 2636 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3517 -20.3517 -20.2904 -20.2904 -3.6602 -3.6602 -3.5825 -3.5825 4.3353 4.3353 4.4341 4.4341 4.5583 4.5583 5.7336 5.7336 6.4539 6.4539 6.4962 6.4962 10.9089 10.9089 11.0840 11.0840 11.3438 11.3438 14.4076 14.4076 k = 0.3333 0.5774 0.3054 ( 2640 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3517 -20.3517 -20.2906 -20.2906 -3.6578 -3.6578 -3.5841 -3.5841 4.3571 4.3571 4.4517 4.4517 4.5166 4.5166 5.7340 5.7340 6.4590 6.4590 6.4883 6.4883 10.9357 10.9357 11.0682 11.0682 11.3307 11.3307 14.4954 14.4954 k = 0.3333 0.5774 0.3054 ( 2640 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3517 -20.3517 -20.2906 -20.2906 -3.6578 -3.6578 -3.5841 -3.5841 4.3571 4.3571 4.4517 4.4517 4.5166 4.5166 5.7340 5.7340 6.4590 6.4590 6.4883 6.4883 10.9357 10.9357 11.0682 11.0682 11.3307 11.3307 14.4954 14.4954 k = 0.3276 0.5674 0.3054 ( 2638 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3517 -20.3517 -20.2905 -20.2905 -3.6601 -3.6601 -3.5827 -3.5827 4.3383 4.3383 4.4306 4.4306 4.5587 4.5587 5.7337 5.7337 6.4564 6.4564 6.4937 6.4937 10.9160 10.9160 11.0729 11.0729 11.3477 11.3477 14.4082 14.4082 k = 0.3218 0.5574 0.3054 ( 2638 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3518 -20.3518 -20.2902 -20.2902 -3.6661 -3.6661 -3.5794 -3.5794 4.2927 4.2927 4.4123 4.4123 4.6295 4.6295 5.7329 5.7329 6.4551 6.4551 6.5031 6.5031 10.8780 10.8780 11.0667 11.0667 11.3980 11.3980 14.3146 14.3146 k = 0.3161 0.5475 0.3054 ( 2642 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3519 -20.3519 -20.2897 -20.2897 -3.6745 -3.6745 -3.5754 -3.5754 4.2387 4.2387 4.4014 4.4014 4.7060 4.7060 5.7319 5.7319 6.4586 6.4586 6.5126 6.5126 10.8363 10.8363 11.0460 11.0460 11.4704 11.4704 14.2198 14.2198 k = 0.3103 0.5375 0.3054 ( 2642 PWs) bands (ev): -53.6680 -53.6680 -28.0044 -28.0044 -20.3520 -20.3520 -20.2890 -20.2890 -3.6846 -3.6846 -3.5718 -3.5718 4.1853 4.1853 4.3924 4.3924 4.7847 4.7847 5.7313 5.7313 6.4674 6.4674 6.5211 6.5211 10.7950 10.7950 11.0178 11.0178 11.5533 11.5533 14.1247 14.1247 k = 0.3046 0.5276 0.3054 ( 2650 PWs) bands (ev): -53.6680 -53.6680 -28.0043 -28.0043 -20.3520 -20.3520 -20.2883 -20.2883 -3.6958 -3.6958 -3.5694 -3.5694 4.1355 4.1355 4.3836 4.3836 4.8642 4.8642 5.7317 5.7317 6.4808 6.4808 6.5285 6.5285 10.7557 10.7557 10.9866 10.9866 11.6403 11.6403 14.0301 14.0301 k = 0.2989 0.5176 0.3054 ( 2646 PWs) bands (ev): -53.6680 -53.6680 -28.0040 -28.0040 -20.3520 -20.3520 -20.2874 -20.2874 -3.7076 -3.7076 -3.5684 -3.5684 4.0903 4.0903 4.3745 4.3745 4.9442 4.9442 5.7336 5.7336 6.4971 6.4971 6.5360 6.5360 10.7190 10.7190 10.9544 10.9544 11.7281 11.7281 13.9370 13.9370 k = 0.2931 0.5077 0.3054 ( 2650 PWs) bands (ev): -53.6681 -53.6681 -28.0039 -28.0039 -20.3519 -20.3519 -20.2864 -20.2864 -3.7200 -3.7200 -3.5692 -3.5692 4.0504 4.0504 4.3648 4.3648 5.0240 5.0240 5.7376 5.7376 6.5113 6.5113 6.5475 6.5475 10.6852 10.6852 10.9224 10.9224 11.8142 11.8142 13.8463 13.8463 k = 0.2874 0.4977 0.3054 ( 2650 PWs) bands (ev): -53.6681 -53.6681 -28.0036 -28.0036 -20.3516 -20.3516 -20.2853 -20.2853 -3.7328 -3.7328 -3.5721 -3.5721 4.0160 4.0160 4.3546 4.3546 5.1033 5.1033 5.7443 5.7443 6.5174 6.5174 6.5686 6.5686 10.6546 10.6546 10.8910 10.8910 11.8968 11.8968 13.7594 13.7594 k = 0.2816 0.4878 0.3054 ( 2650 PWs) bands (ev): -53.6682 -53.6682 -28.0033 -28.0033 -20.3512 -20.3512 -20.2841 -20.2841 -3.7458 -3.7458 -3.5770 -3.5770 3.9873 3.9873 4.3439 4.3439 5.1818 5.1818 5.7541 5.7541 6.5165 6.5165 6.5975 6.5975 10.6272 10.6272 10.8607 10.8607 11.9740 11.9740 13.6776 13.6776 k = 0.2759 0.4778 0.3054 ( 2650 PWs) bands (ev): -53.6683 -53.6683 -28.0029 -28.0029 -20.3507 -20.3507 -20.2829 -20.2829 -3.7591 -3.7591 -3.5842 -3.5842 3.9646 3.9646 4.3330 4.3330 5.2592 5.2592 5.7673 5.7673 6.5112 6.5112 6.6310 6.6310 10.6029 10.6029 10.8316 10.8316 12.0440 12.0440 13.6022 13.6022 k = 0.2701 0.4679 0.3054 ( 2650 PWs) bands (ev): -53.6683 -53.6683 -28.0025 -28.0025 -20.3501 -20.3501 -20.2816 -20.2816 -3.7727 -3.7727 -3.5937 -3.5937 3.9478 3.9478 4.3219 4.3219 5.3350 5.3350 5.7842 5.7842 6.5026 6.5026 6.6678 6.6678 10.5816 10.5816 10.8039 10.8039 12.1052 12.1052 13.5348 13.5348 k = 0.2644 0.4579 0.3054 ( 2648 PWs) bands (ev): -53.6684 -53.6684 -28.0021 -28.0021 -20.3492 -20.3492 -20.2803 -20.2803 -3.7863 -3.7863 -3.6055 -3.6055 3.9370 3.9370 4.3109 4.3109 5.4090 5.4090 5.8049 5.8049 6.4909 6.4909 6.7070 6.7070 10.5630 10.5630 10.7778 10.7778 12.1556 12.1556 13.4765 13.4765 k = 0.2586 0.4479 0.3054 ( 2652 PWs) bands (ev): -53.6685 -53.6685 -28.0016 -28.0016 -20.3482 -20.3482 -20.2790 -20.2790 -3.8002 -3.8002 -3.6196 -3.6196 3.9323 3.9323 4.3002 4.3002 5.4808 5.4808 5.8296 5.8296 6.4767 6.4767 6.7480 6.7480 10.5469 10.5469 10.7535 10.7535 12.1942 12.1942 13.4283 13.4283 k = 0.2529 0.4380 0.3054 ( 2646 PWs) bands (ev): -53.6686 -53.6686 -28.0011 -28.0011 -20.3469 -20.3469 -20.2776 -20.2776 -3.8141 -3.8141 -3.6360 -3.6360 3.9335 3.9335 4.2900 4.2900 5.5500 5.5500 5.8581 5.8581 6.4600 6.4600 6.7905 6.7905 10.5328 10.5328 10.7309 10.7309 12.2203 12.2203 13.3903 13.3903 k = 0.2471 0.4280 0.3054 ( 2638 PWs) bands (ev): -53.6687 -53.6687 -28.0004 -28.0004 -20.3455 -20.3455 -20.2763 -20.2763 -3.8282 -3.8282 -3.6547 -3.6547 3.9406 3.9406 4.2806 4.2806 5.6165 5.6165 5.8904 5.8904 6.4414 6.4414 6.8341 6.8341 10.5203 10.5203 10.7104 10.7104 12.2344 12.2344 13.3619 13.3619 k = 0.2414 0.4181 0.3054 ( 2638 PWs) bands (ev): -53.6688 -53.6688 -27.9998 -27.9998 -20.3439 -20.3439 -20.2749 -20.2749 -3.8424 -3.8424 -3.6755 -3.6755 3.9535 3.9535 4.2722 4.2722 5.6799 5.6799 5.9258 5.9258 6.4212 6.4212 6.8782 6.8782 10.5090 10.5090 10.6918 10.6918 12.2379 12.2379 13.3413 13.3413 k = 0.2356 0.4081 0.3054 ( 2634 PWs) bands (ev): -53.6689 -53.6689 -27.9992 -27.9992 -20.3420 -20.3420 -20.2736 -20.2736 -3.8567 -3.8567 -3.6984 -3.6984 3.9719 3.9719 4.2650 4.2650 5.7403 5.7403 5.9637 5.9637 6.4003 6.4003 6.9227 6.9227 10.4985 10.4985 10.6752 10.6752 12.2331 12.2331 13.3263 13.3263 k = 0.2299 0.3982 0.3054 ( 2642 PWs) bands (ev): -53.6690 -53.6690 -27.9986 -27.9986 -20.3402 -20.3402 -20.2722 -20.2722 -3.8712 -3.8712 -3.7232 -3.7232 3.9958 3.9958 4.2594 4.2594 5.7978 5.7978 6.0028 6.0028 6.3797 6.3797 6.9671 6.9671 10.4884 10.4884 10.6605 10.6605 12.2228 12.2228 13.3142 13.3142 k = 0.2241 0.3882 0.3054 ( 2638 PWs) bands (ev): -53.6692 -53.6692 -27.9978 -27.9978 -20.3380 -20.3380 -20.2708 -20.2708 -3.8859 -3.8859 -3.7497 -3.7497 4.0248 4.0248 4.2555 4.2555 5.8524 5.8524 6.0414 6.0414 6.3610 6.3610 7.0110 7.0110 10.4786 10.4786 10.6475 10.6475 12.2097 12.2097 13.3029 13.3029 k = 0.2184 0.3783 0.3054 ( 2638 PWs) bands (ev): -53.6693 -53.6693 -27.9971 -27.9971 -20.3357 -20.3357 -20.2695 -20.2695 -3.9010 -3.9010 -3.7778 -3.7778 4.0585 4.0585 4.2536 4.2536 5.9039 5.9039 6.0770 6.0770 6.3470 6.3470 7.0542 7.0542 10.4690 10.4690 10.6359 10.6359 12.1962 12.1962 13.2906 13.2906 k = 0.2126 0.3683 0.3054 ( 2642 PWs) bands (ev): -53.6695 -53.6695 -27.9964 -27.9964 -20.3333 -20.3333 -20.2681 -20.2681 -3.9165 -3.9165 -3.8070 -3.8070 4.0966 4.0966 4.2540 4.2540 5.9513 5.9513 6.1067 6.1067 6.3415 6.3415 7.0961 7.0961 10.4596 10.4596 10.6253 10.6253 12.1842 12.1842 13.2761 13.2761 k = 0.2069 0.3584 0.3054 ( 2640 PWs) bands (ev): -53.6696 -53.6696 -27.9955 -27.9955 -20.3307 -20.3307 -20.2667 -20.2667 -3.9329 -3.9329 -3.8369 -3.8369 4.1383 4.1383 4.2572 4.2572 5.9918 5.9918 6.1296 6.1296 6.3485 6.3485 7.1365 7.1365 10.4504 10.4504 10.6156 10.6156 12.1751 12.1751 13.2589 13.2589 k = 0.2011 0.3484 0.3054 ( 2648 PWs) bands (ev): -53.6698 -53.6698 -27.9948 -27.9948 -20.3280 -20.3280 -20.2654 -20.2654 -3.9508 -3.9508 -3.8667 -3.8667 4.1822 4.1822 4.2645 4.2645 6.0195 6.0195 6.1504 6.1504 6.3694 6.3694 7.1750 7.1750 10.4417 10.4417 10.6064 10.6064 12.1699 12.1699 13.2391 13.2391 k = 0.1954 0.3384 0.3054 ( 2650 PWs) bands (ev): -53.6699 -53.6699 -27.9939 -27.9939 -20.3251 -20.3251 -20.2640 -20.2640 -3.9710 -3.9710 -3.8953 -3.8953 4.2241 4.2241 4.2795 4.2795 6.0288 6.0288 6.1774 6.1774 6.4015 6.4015 7.2113 7.2113 10.4335 10.4335 10.5977 10.5977 12.1688 12.1688 13.2169 13.2169 k = 0.1897 0.3285 0.3054 ( 2658 PWs) bands (ev): -53.6701 -53.6701 -27.9931 -27.9931 -20.3222 -20.3222 -20.2626 -20.2626 -3.9947 -3.9947 -3.9213 -3.9213 4.2544 4.2544 4.3114 4.3114 6.0221 6.0221 6.2123 6.2123 6.4416 6.4416 7.2449 7.2449 10.4257 10.4257 10.5895 10.5895 12.1716 12.1716 13.1931 13.1931 k = 0.1839 0.3185 0.3054 ( 2658 PWs) bands (ev): -53.6703 -53.6703 -27.9922 -27.9922 -20.3192 -20.3192 -20.2612 -20.2612 -4.0228 -4.0228 -3.9438 -3.9438 4.2738 4.2738 4.3590 4.3590 6.0064 6.0064 6.2506 6.2506 6.4872 6.4872 7.2755 7.2755 10.4183 10.4183 10.5821 10.5821 12.1779 12.1779 13.1687 13.1687 k = 0.1782 0.3086 0.3054 ( 2652 PWs) bands (ev): -53.6704 -53.6704 -27.9913 -27.9913 -20.3161 -20.3161 -20.2596 -20.2596 -4.0548 -4.0548 -3.9631 -3.9631 4.2911 4.2911 4.4126 4.4126 5.9870 5.9870 6.2889 6.2889 6.5373 6.5373 7.3030 7.3030 10.4113 10.4113 10.5757 10.5757 12.1865 12.1865 13.1448 13.1448 k = 0.1724 0.2986 0.3054 ( 2652 PWs) bands (ev): -53.6706 -53.6706 -27.9903 -27.9903 -20.3130 -20.3130 -20.2580 -20.2580 -4.0896 -4.0896 -3.9799 -3.9799 4.3097 4.3097 4.4680 4.4680 5.9671 5.9671 6.3254 6.3254 6.5912 6.5912 7.3269 7.3269 10.4044 10.4044 10.5706 10.5706 12.1961 12.1961 13.1227 13.1227 k = 0.1667 0.2887 0.3054 ( 2644 PWs) bands (ev): -53.6708 -53.6708 -27.9893 -27.9893 -20.3098 -20.3098 -20.2563 -20.2563 -4.1263 -4.1263 -3.9952 -3.9952 4.3306 4.3306 4.5234 4.5234 5.9487 5.9487 6.3592 6.3592 6.6487 6.6487 7.3471 7.3471 10.3974 10.3974 10.5668 10.5668 12.2049 12.2049 13.1037 13.1037 k = 0.1609 0.2787 0.3054 ( 2648 PWs) bands (ev): -53.6710 -53.6710 -27.9884 -27.9884 -20.3069 -20.3069 -20.2545 -20.2545 -4.1642 -4.1642 -4.0093 -4.0093 4.3541 4.3541 4.5771 4.5771 5.9335 5.9335 6.3903 6.3903 6.7094 6.7094 7.3634 7.3634 10.3904 10.3904 10.5644 10.5644 12.2111 12.2111 13.0884 13.0884 k = 0.1552 0.2688 0.3054 ( 2650 PWs) bands (ev): -53.6712 -53.6712 -27.9874 -27.9874 -20.3040 -20.3040 -20.2526 -20.2526 -4.2027 -4.2027 -4.0227 -4.0227 4.3803 4.3803 4.6278 4.6278 5.9227 5.9227 6.4190 6.4190 6.7728 6.7728 7.3758 7.3758 10.3831 10.3831 10.5633 10.5633 12.2126 12.2126 13.0759 13.0759 k = 0.1494 0.2588 0.3054 ( 2646 PWs) bands (ev): -53.6713 -53.6713 -27.9864 -27.9864 -20.3012 -20.3012 -20.2505 -20.2505 -4.2416 -4.2416 -4.0354 -4.0354 4.4093 4.4093 4.6739 4.6739 5.9173 5.9173 6.4461 6.4461 6.8383 6.8383 7.3845 7.3845 10.3757 10.3757 10.5629 10.5630 12.2080 12.2080 13.0590 13.0590 k = 0.1437 0.2489 0.3054 ( 2646 PWs) bands (ev): -53.6715 -53.6715 -27.9854 -27.9854 -20.2985 -20.2985 -20.2483 -20.2483 -4.2805 -4.2805 -4.0477 -4.0477 4.4412 4.4412 4.7143 4.7143 5.9179 5.9179 6.4725 6.4725 6.9051 6.9051 7.3896 7.3896 10.3682 10.3682 10.5629 10.5629 12.1958 12.1958 13.0266 13.0266 k = 0.1379 0.2389 0.3054 ( 2650 PWs) bands (ev): -53.6717 -53.6717 -27.9845 -27.9845 -20.2960 -20.2960 -20.2459 -20.2459 -4.3193 -4.3193 -4.0595 -4.0595 4.4760 4.4760 4.7477 4.7477 5.9248 5.9248 6.4994 6.4994 6.9722 6.9722 7.3919 7.3919 10.3606 10.3606 10.5625 10.5625 12.1756 12.1756 12.9854 12.9854 k = 0.1322 0.2289 0.3054 ( 2650 PWs) bands (ev): -53.6719 -53.6719 -27.9835 -27.9835 -20.2937 -20.2937 -20.2433 -20.2433 -4.3578 -4.3578 -4.0709 -4.0709 4.5136 4.5136 4.7735 4.7735 5.9376 5.9376 6.5283 6.5283 7.0381 7.0381 7.3926 7.3926 10.3530 10.3530 10.5608 10.5608 12.1473 12.1473 12.9461 12.9461 k = 0.1264 0.2190 0.3054 ( 2646 PWs) bands (ev): -53.6721 -53.6721 -27.9825 -27.9825 -20.2916 -20.2916 -20.2406 -20.2406 -4.3957 -4.3957 -4.0819 -4.0819 4.5541 4.5541 4.7915 4.7915 5.9550 5.9550 6.5607 6.5607 7.0999 7.0999 7.3944 7.3944 10.3455 10.3455 10.5573 10.5573 12.1113 12.1113 12.9134 12.9134 k = 0.1207 0.2090 0.3054 ( 2646 PWs) bands (ev): -53.6722 -53.6722 -27.9816 -27.9816 -20.2897 -20.2897 -20.2378 -20.2378 -4.4329 -4.4329 -4.0924 -4.0924 4.5973 4.5973 4.8020 4.8020 5.9753 5.9753 6.5981 6.5981 7.1527 7.1527 7.4024 7.4024 10.3380 10.3380 10.5511 10.5511 12.0681 12.0681 12.8894 12.8894 k = 0.1149 0.1991 0.3054 ( 2654 PWs) bands (ev): -53.6724 -53.6724 -27.9807 -27.9807 -20.2880 -20.2880 -20.2349 -20.2349 -4.4693 -4.4693 -4.1026 -4.1026 4.6431 4.6431 4.8059 4.8059 5.9964 5.9964 6.6418 6.6418 7.1887 7.1887 7.4243 7.4243 10.3306 10.3306 10.5418 10.5418 12.0184 12.0184 12.8753 12.8753 k = 0.1092 0.1891 0.3054 ( 2658 PWs) bands (ev): -53.6726 -53.6726 -27.9799 -27.9799 -20.2865 -20.2865 -20.2318 -20.2318 -4.5048 -4.5048 -4.1124 -4.1124 4.6910 4.6910 4.8044 4.8044 6.0163 6.0163 6.6923 6.6923 7.2036 7.2036 7.4653 7.4653 10.3230 10.3230 10.5290 10.5290 11.9625 11.9625 12.8718 12.8718 k = 0.1034 0.1792 0.3054 ( 2658 PWs) bands (ev): -53.6727 -53.6727 -27.9790 -27.9790 -20.2852 -20.2852 -20.2286 -20.2286 -4.5391 -4.5391 -4.1217 -4.1217 4.7388 4.7388 4.8009 4.8009 6.0334 6.0334 6.7488 6.7488 7.2020 7.2020 7.5220 7.5220 10.3153 10.3153 10.5125 10.5125 11.9012 11.9012 12.8791 12.8791 k = 0.0977 0.1692 0.3054 ( 2658 PWs) bands (ev): -53.6729 -53.6729 -27.9781 -27.9781 -20.2841 -20.2841 -20.2255 -20.2255 -4.5722 -4.5722 -4.1307 -4.1307 4.7682 4.7682 4.8146 4.8146 6.0469 6.0469 6.8082 6.8082 7.1934 7.1934 7.5878 7.5878 10.3073 10.3073 10.4924 10.4924 11.8349 11.8349 12.8973 12.8973 k = 0.0920 0.1593 0.3054 ( 2654 PWs) bands (ev): -53.6731 -53.6731 -27.9772 -27.9772 -20.2830 -20.2830 -20.2222 -20.2222 -4.6041 -4.6041 -4.1392 -4.1392 4.7623 4.7623 4.8631 4.8631 6.0565 6.0565 6.8632 6.8632 7.1886 7.1886 7.6583 7.6583 10.2989 10.2989 10.4691 10.4691 11.7641 11.7641 12.9258 12.9258 k = 0.0862 0.1493 0.3054 ( 2662 PWs) bands (ev): -53.6732 -53.6732 -27.9765 -27.9765 -20.2822 -20.2822 -20.2191 -20.2191 -4.6345 -4.6345 -4.1472 -4.1472 4.7479 4.7479 4.9207 4.9207 6.0625 6.0625 6.9007 6.9007 7.2021 7.2021 7.7310 7.7310 10.2898 10.2898 10.4430 10.4430 11.6895 11.6895 12.9642 12.9642 k = 0.0805 0.1394 0.3054 ( 2658 PWs) bands (ev): -53.6733 -53.6733 -27.9757 -27.9757 -20.2814 -20.2814 -20.2160 -20.2160 -4.6634 -4.6634 -4.1548 -4.1548 4.7309 4.7309 4.9819 4.9819 6.0653 6.0653 6.9083 6.9083 7.2461 7.2461 7.8044 7.8044 10.2797 10.2797 10.4147 10.4147 11.6115 11.6115 13.0114 13.0114 k = 0.0747 0.1294 0.3054 ( 2652 PWs) bands (ev): -53.6735 -53.6735 -27.9749 -27.9749 -20.2807 -20.2807 -20.2129 -20.2129 -4.6906 -4.6906 -4.1620 -4.1620 4.7129 4.7129 5.0457 5.0457 6.0655 6.0655 6.8882 6.8882 7.3179 7.3179 7.8779 7.8779 10.2684 10.2684 10.3849 10.3849 11.5309 11.5309 13.0666 13.0666 k = 0.0690 0.1195 0.3054 ( 2652 PWs) bands (ev): -53.6736 -53.6736 -27.9743 -27.9743 -20.2802 -20.2802 -20.2100 -20.2100 -4.7162 -4.7162 -4.1687 -4.1687 4.6946 4.6946 5.1118 5.1118 6.0637 6.0637 6.8503 6.8503 7.4064 7.4064 7.9506 7.9506 10.2555 10.2555 10.3546 10.3546 11.4485 11.4485 13.1287 13.1287 k = 0.0632 0.1095 0.3054 ( 2660 PWs) bands (ev): -53.6737 -53.6737 -27.9737 -27.9737 -20.2797 -20.2797 -20.2073 -20.2073 -4.7400 -4.7400 -4.1748 -4.1748 4.6765 4.6765 5.1801 5.1801 6.0605 6.0605 6.8018 6.8018 7.5036 7.5036 8.0221 8.0221 10.2403 10.2403 10.3245 10.3245 11.3653 11.3653 13.1965 13.1965 k = 0.0575 0.0995 0.3054 ( 2658 PWs) bands (ev): -53.6738 -53.6738 -27.9731 -27.9731 -20.2793 -20.2793 -20.2046 -20.2046 -4.7620 -4.7620 -4.1805 -4.1805 4.6589 4.6589 5.2503 5.2503 6.0562 6.0562 6.7463 6.7463 7.6044 7.6044 8.0922 8.0922 10.2226 10.2226 10.2953 10.2953 11.2823 11.2823 13.2691 13.2691 k = 0.0517 0.0896 0.3054 ( 2658 PWs) bands (ev): -53.6739 -53.6739 -27.9726 -27.9726 -20.2790 -20.2790 -20.2022 -20.2022 -4.7821 -4.7821 -4.1857 -4.1857 4.6423 4.6423 5.3222 5.3222 6.0514 6.0514 6.6856 6.6856 7.7057 7.7057 8.1606 8.1606 10.2024 10.2024 10.2674 10.2674 11.2010 11.2010 13.3453 13.3453 k = 0.0460 0.0796 0.3054 ( 2658 PWs) bands (ev): -53.6740 -53.6740 -27.9721 -27.9721 -20.2787 -20.2787 -20.2000 -20.2000 -4.8002 -4.8002 -4.1904 -4.1904 4.6268 4.6268 5.3957 5.3957 6.0463 6.0463 6.6209 6.6209 7.8045 7.8045 8.2270 8.2270 10.1801 10.1801 10.2403 10.2403 11.1227 11.1227 13.4241 13.4241 k = 0.0402 0.0697 0.3054 ( 2654 PWs) bands (ev): -53.6741 -53.6741 -27.9716 -27.9716 -20.2785 -20.2785 -20.1979 -20.1979 -4.8163 -4.8163 -4.1945 -4.1945 4.6127 4.6127 5.4706 5.4706 6.0413 6.0413 6.5531 6.5531 7.8981 7.8981 8.2915 8.2915 10.1568 10.1568 10.2134 10.2134 11.0493 11.0493 13.5045 13.5045 k = 0.0345 0.0597 0.3054 ( 2650 PWs) bands (ev): -53.6742 -53.6742 -27.9712 -27.9712 -20.2782 -20.2782 -20.1962 -20.1962 -4.8304 -4.8304 -4.1981 -4.1981 4.6002 4.6002 5.5467 5.5467 6.0365 6.0365 6.4825 6.4825 7.9840 7.9840 8.3538 8.3538 10.1337 10.1337 10.1861 10.1861 10.9825 10.9825 13.5857 13.5857 k = 0.0287 0.0498 0.3054 ( 2650 PWs) bands (ev): -53.6742 -53.6742 -27.9708 -27.9708 -20.2780 -20.2780 -20.1947 -20.1947 -4.8424 -4.8424 -4.2011 -4.2011 4.5894 4.5894 5.6237 5.6237 6.0321 6.0321 6.4099 6.4099 8.0596 8.0596 8.4132 8.4132 10.1118 10.1118 10.1583 10.1583 10.9239 10.9239 13.6668 13.6668 k = 0.0230 0.0398 0.3054 ( 2646 PWs) bands (ev): -53.6743 -53.6743 -27.9705 -27.9705 -20.2779 -20.2779 -20.1934 -20.1934 -4.8522 -4.8522 -4.2036 -4.2036 4.5804 4.5804 5.7014 5.7014 6.0284 6.0284 6.3355 6.3355 8.1229 8.1229 8.4684 8.4684 10.0915 10.0915 10.1315 10.1315 10.8750 10.8750 13.7471 13.7471 k = 0.0172 0.0299 0.3054 ( 2642 PWs) bands (ev): -53.6743 -53.6743 -27.9703 -27.9703 -20.2777 -20.2777 -20.1924 -20.1924 -4.8599 -4.8599 -4.2056 -4.2056 4.5733 4.5733 5.7795 5.7795 6.0253 6.0253 6.2600 6.2600 8.1725 8.1725 8.5169 8.5169 10.0728 10.0728 10.1082 10.1082 10.8365 10.8365 13.8256 13.8256 k = 0.0115 0.0199 0.3054 ( 2642 PWs) bands (ev): -53.6743 -53.6743 -27.9701 -27.9701 -20.2777 -20.2777 -20.1917 -20.1917 -4.8654 -4.8654 -4.2070 -4.2070 4.5682 4.5682 5.8570 5.8570 6.0230 6.0230 6.1842 6.1842 8.2078 8.2078 8.5553 8.5553 10.0564 10.0564 10.0909 10.0909 10.8091 10.8091 13.9004 13.9004 k = 0.0057 0.0100 0.3054 ( 2650 PWs) bands (ev): -53.6744 -53.6744 -27.9701 -27.9701 -20.2776 -20.2776 -20.1914 -20.1914 -4.8687 -4.8687 -4.2078 -4.2078 4.5651 4.5651 5.9317 5.9317 6.0214 6.0214 6.1107 6.1107 8.2290 8.2290 8.5803 8.5803 10.0446 10.0446 10.0809 10.0809 10.7926 10.7926 13.9639 13.9639 k = 0.0000 0.0000 0.3054 ( 2654 PWs) bands (ev): -53.6744 -53.6744 -27.9701 -27.9701 -20.2776 -20.2776 -20.1913 -20.1913 -4.8698 -4.8698 -4.2081 -4.2081 4.5641 4.5641 5.9803 5.9803 6.0199 6.0199 6.0636 6.0636 8.2360 8.2360 8.5889 8.5889 10.0402 10.0402 10.0776 10.0776 10.7872 10.7872 13.9902 13.9902 k = 0.5000 0.2887 0.3054 ( 2652 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2540 -20.2540 -3.9990 -3.9990 -3.4287 -3.4287 3.1362 3.1362 4.3925 4.3925 5.7523 5.7523 5.8816 5.8816 7.2834 7.2834 7.7602 7.7602 8.9111 8.9111 12.0494 12.0494 12.4010 12.4010 13.3094 13.3094 k = 0.5000 0.2887 0.2941 ( 2650 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2540 -20.2540 -3.9987 -3.9987 -3.4292 -3.4292 3.1367 3.1367 4.3938 4.3938 5.7525 5.7525 5.8819 5.8819 7.2804 7.2804 7.7566 7.7566 8.9130 8.9130 12.0494 12.0494 12.4010 12.4010 13.3067 13.3067 k = 0.5000 0.2887 0.2828 ( 2652 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2540 -20.2540 -3.9976 -3.9976 -3.4306 -3.4306 3.1382 3.1382 4.3977 4.3977 5.7531 5.7531 5.8829 5.8829 7.2713 7.2713 7.7463 7.7463 8.9186 8.9186 12.0494 12.0494 12.4009 12.4009 13.2989 13.2989 k = 0.5000 0.2887 0.2714 ( 2650 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2540 -20.2540 -3.9960 -3.9960 -3.4329 -3.4329 3.1406 3.1406 4.4043 4.4043 5.7542 5.7542 5.8847 5.8847 7.2561 7.2561 7.7297 7.7297 8.9277 8.9277 12.0495 12.0495 12.4008 12.4008 13.2875 13.2875 k = 0.5000 0.2887 0.2601 ( 2638 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3682 -20.3682 -20.2539 -20.2539 -3.9936 -3.9936 -3.4362 -3.4362 3.1439 3.1439 4.4135 4.4135 5.7555 5.7555 5.8873 5.8873 7.2346 7.2346 7.7077 7.7077 8.9395 8.9395 12.0495 12.0495 12.4006 12.4006 13.2745 13.2745 k = 0.5000 0.2887 0.2488 ( 2640 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2539 -20.2539 -3.9906 -3.9906 -3.4403 -3.4403 3.1480 3.1480 4.4254 4.4254 5.7570 5.7570 5.8908 5.8908 7.2068 7.2068 7.6812 7.6812 8.9535 8.9535 12.0495 12.0495 12.4003 12.4003 13.2617 13.2617 k = 0.5000 0.2887 0.2375 ( 2642 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2539 -20.2539 -3.9870 -3.9870 -3.4453 -3.4453 3.1529 3.1529 4.4402 4.4402 5.7586 5.7586 5.8952 5.8952 7.1725 7.1725 7.6514 7.6514 8.9689 8.9689 12.0495 12.0495 12.4000 12.4000 13.2504 13.2504 k = 0.5000 0.2887 0.2262 ( 2640 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2539 -20.2539 -3.9828 -3.9828 -3.4511 -3.4511 3.1584 3.1584 4.4577 4.4577 5.7601 5.7601 5.9007 5.9007 7.1319 7.1319 7.6192 7.6192 8.9852 8.9852 12.0495 12.0495 12.3997 12.3997 13.2420 13.2420 k = 0.5000 0.2887 0.2149 ( 2640 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2539 -20.2539 -3.9779 -3.9779 -3.4576 -3.4576 3.1644 3.1644 4.4781 4.4781 5.7615 5.7615 5.9074 5.9074 7.0851 7.0851 7.5856 7.5856 9.0016 9.0016 12.0494 12.0494 12.3994 12.3994 13.2371 13.2371 k = 0.5000 0.2887 0.2036 ( 2650 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3684 -20.3684 -20.2539 -20.2539 -3.9725 -3.9725 -3.4649 -3.4649 3.1708 3.1708 4.5015 4.5015 5.7625 5.7625 5.9154 5.9154 7.0324 7.0324 7.5512 7.5512 9.0178 9.0178 12.0493 12.0493 12.3990 12.3990 13.2366 13.2366 k = 0.5000 0.2887 0.1923 ( 2638 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2538 -20.2538 -3.9665 -3.9665 -3.4729 -3.4729 3.1775 3.1775 4.5279 4.5279 5.7631 5.7631 5.9245 5.9245 6.9743 6.9743 7.5165 7.5165 9.0333 9.0333 12.0491 12.0491 12.3987 12.3987 13.2406 13.2406 k = 0.5000 0.2887 0.1810 ( 2634 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2538 -20.2538 -3.9601 -3.9601 -3.4815 -3.4815 3.1844 3.1844 4.5573 4.5573 5.7633 5.7633 5.9348 5.9348 6.9114 6.9114 7.4820 7.4820 9.0478 9.0478 12.0489 12.0489 12.3983 12.3983 13.2494 13.2494 k = 0.5000 0.2887 0.1697 ( 2638 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2538 -20.2538 -3.9531 -3.9531 -3.4906 -3.4906 3.1912 3.1912 4.5898 4.5898 5.7630 5.7630 5.9462 5.9462 6.8443 6.8443 7.4478 7.4478 9.0611 9.0611 12.0485 12.0485 12.3980 12.3980 13.2632 13.2632 k = 0.5000 0.2887 0.1583 ( 2642 PWs) bands (ev): -53.6686 -53.6686 -28.0008 -28.0008 -20.3683 -20.3683 -20.2539 -20.2539 -3.9457 -3.9457 -3.5002 -3.5002 3.1981 3.1981 4.6253 4.6253 5.7622 5.7622 5.9586 5.9586 6.7738 6.7738 7.4142 7.4142 9.0731 9.0731 12.0482 12.0482 12.3978 12.3978 13.2819 13.2819 k = 0.5000 0.2887 0.1470 ( 2646 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2539 -20.2539 -3.9380 -3.9380 -3.5101 -3.5101 3.2047 3.2047 4.6638 4.6638 5.7608 5.7608 5.9719 5.9719 6.7007 6.7007 7.3812 7.3812 9.0838 9.0838 12.0478 12.0478 12.3975 12.3975 13.3053 13.3053 k = 0.5000 0.2887 0.1357 ( 2646 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2539 -20.2539 -3.9300 -3.9300 -3.5204 -3.5204 3.2111 3.2111 4.7053 4.7053 5.7588 5.7588 5.9857 5.9857 6.6256 6.6256 7.3491 7.3491 9.0930 9.0930 12.0473 12.0473 12.3973 12.3973 13.3331 13.3331 k = 0.5000 0.2887 0.1244 ( 2650 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3684 -20.3684 -20.2539 -20.2539 -3.9217 -3.9217 -3.5308 -3.5308 3.2171 3.2171 4.7496 4.7496 5.7561 5.7561 6.0001 6.0001 6.5494 6.5494 7.3180 7.3180 9.1009 9.1009 12.0469 12.0469 12.3971 12.3971 13.3650 13.3650 k = 0.5000 0.2887 0.1131 ( 2646 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2539 -20.2539 -3.9133 -3.9133 -3.5413 -3.5413 3.2228 3.2228 4.7966 4.7966 5.7525 5.7525 6.0146 6.0146 6.4729 6.4729 7.2882 7.2882 9.1075 9.1075 12.0464 12.0464 12.3970 12.3970 13.4006 13.4006 k = 0.5000 0.2887 0.1018 ( 2646 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2539 -20.2539 -3.9048 -3.9048 -3.5517 -3.5517 3.2279 3.2279 4.8461 4.8461 5.7479 5.7479 6.0290 6.0290 6.3971 6.3971 7.2598 7.2598 9.1129 9.1129 12.0459 12.0459 12.3968 12.3968 13.4392 13.4392 k = 0.5000 0.2887 0.0905 ( 2646 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3683 -20.3683 -20.2539 -20.2539 -3.8964 -3.8964 -3.5619 -3.5619 3.2326 3.2326 4.8976 4.8976 5.7419 5.7419 6.0431 6.0431 6.3231 6.3231 7.2332 7.2332 9.1173 9.1173 12.0455 12.0455 12.3967 12.3967 13.4800 13.4800 k = 0.5000 0.2887 0.0792 ( 2650 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3684 -20.3684 -20.2539 -20.2539 -3.8883 -3.8883 -3.5717 -3.5717 3.2368 3.2368 4.9508 4.9508 5.7339 5.7339 6.0564 6.0564 6.2521 6.2521 7.2086 7.2086 9.1208 9.1208 12.0451 12.0451 12.3966 12.3966 13.5222 13.5222 k = 0.5000 0.2887 0.0679 ( 2650 PWs) bands (ev): -53.6686 -53.6686 -28.0009 -28.0009 -20.3684 -20.3684 -20.2539 -20.2539 -3.8806 -3.8806 -3.5810 -3.5810 3.2405 3.2405 5.0050 5.0050 5.7235 5.7235 6.0683 6.0683 6.1860 6.1860 7.1863 7.1863 9.1235 9.1235 12.0447 12.0447 12.3966 12.3966 13.5647 13.5647 k = 0.5000 0.2887 0.0566 ( 2658 PWs) bands (ev): -53.6686 -53.6686 -28.0010 -28.0010 -20.3684 -20.3684 -20.2540 -20.2540 -3.8734 -3.8734 -3.5894 -3.5894 3.2436 3.2436 5.0593 5.0593 5.7097 5.7097 6.0769 6.0769 6.1285 6.1285 7.1667 7.1667 9.1255 9.1255 12.0443 12.0443 12.3965 12.3965 13.6061 13.6061 k = 0.5000 0.2887 0.0452 ( 2658 PWs) bands (ev): -53.6686 -53.6686 -28.0010 -28.0010 -20.3684 -20.3684 -20.2540 -20.2540 -3.8671 -3.8671 -3.5968 -3.5968 3.2461 3.2461 5.1123 5.1123 5.6920 5.6920 6.0638 6.0638 6.0997 6.0997 7.1501 7.1501 9.1270 9.1270 12.0441 12.0441 12.3965 12.3965 13.6447 13.6447 k = 0.5000 0.2887 0.0339 ( 2654 PWs) bands (ev): -53.6686 -53.6686 -28.0010 -28.0010 -20.3684 -20.3684 -20.2539 -20.2539 -3.8619 -3.8619 -3.6029 -3.6029 3.2480 3.2480 5.1616 5.1616 5.6710 5.6710 6.0275 6.0275 6.1028 6.1028 7.1368 7.1368 9.1281 9.1281 12.0439 12.0439 12.3965 12.3965 13.6784 13.6784 k = 0.5000 0.2887 0.0226 ( 2656 PWs) bands (ev): -53.6686 -53.6686 -28.0010 -28.0010 -20.3684 -20.3684 -20.2540 -20.2540 -3.8579 -3.8579 -3.6075 -3.6075 3.2495 3.2495 5.2037 5.2037 5.6489 5.6489 5.9991 5.9991 6.1078 6.1078 7.1271 7.1271 9.1288 9.1288 12.0437 12.0437 12.3964 12.3964 13.7051 13.7051 k = 0.5000 0.2887 0.0113 ( 2668 PWs) bands (ev): -53.6687 -53.6687 -28.0011 -28.0011 -20.3685 -20.3685 -20.2541 -20.2541 -3.8554 -3.8554 -3.6103 -3.6103 3.2503 3.2503 5.2332 5.2332 5.6312 5.6312 5.9821 5.9821 6.1111 6.1111 7.1212 7.1212 9.1292 9.1292 12.0436 12.0436 12.3964 12.3964 13.7223 13.7223 k = 0.5000 0.2887-0.0000 ( 2678 PWs) bands (ev): -53.6687 -53.6687 -28.0012 -28.0012 -20.3685 -20.3685 -20.2541 -20.2541 -3.8546 -3.8546 -3.6113 -3.6113 3.2506 3.2506 5.2440 5.2440 5.6242 5.6242 5.9765 5.9765 6.1123 6.1123 7.1193 7.1193 9.1293 9.1293 12.0436 12.0436 12.3964 12.3964 13.7282 13.7282 k = 0.3333 0.5774-0.0000 ( 2616 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3516 -20.3516 -20.2902 -20.2902 -3.6567 -3.6567 -3.5790 -3.5790 4.0328 4.0328 4.6155 4.6155 4.6459 4.6459 5.9553 5.9553 6.0710 6.0710 6.5882 6.5882 10.7908 10.7908 11.7202 11.7202 12.0118 12.0118 13.4096 13.4096 k = 0.3333 0.5774 0.0113 ( 2616 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3516 -20.3516 -20.2902 -20.2902 -3.6567 -3.6567 -3.5790 -3.5790 4.0339 4.0339 4.6148 4.6148 4.6446 4.6446 5.9573 5.9573 6.0724 6.0724 6.5857 6.5857 10.7915 10.7915 11.7173 11.7173 12.0085 12.0085 13.4136 13.4136 k = 0.3333 0.5774 0.0226 ( 2616 PWs) bands (ev): -53.6679 -53.6679 -28.0043 -28.0043 -20.3516 -20.3516 -20.2902 -20.2902 -3.6567 -3.6567 -3.5791 -3.5791 4.0373 4.0373 4.6128 4.6128 4.6409 4.6409 5.9634 5.9634 6.0765 6.0765 6.5781 6.5781 10.7934 10.7934 11.7089 11.7089 11.9988 11.9988 13.4255 13.4255 k = 0.3333 0.5774 0.0339 ( 2625 PWs) bands (ev): -53.6679 -53.6679 -28.0044 -28.0044 -20.3517 -20.3517 -20.2903 -20.2903 -3.6567 -3.6567 -3.5792 -3.5792 4.0430 4.0430 4.6096 4.6096 4.6347 4.6347 5.9732 5.9732 6.0832 6.0832 6.5655 6.5655 10.7967 10.7967 11.6952 11.6952 11.9831 11.9831 13.4449 13.4449 k = 0.3333 0.5774 0.0452 ( 2643 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3518 -20.3518 -20.2904 -20.2904 -3.6567 -3.6567 -3.5793 -3.5793 4.0508 4.0508 4.6051 4.6051 4.6264 4.6264 5.9868 5.9868 6.0925 6.0925 6.5481 6.5481 10.8011 10.8011 11.6766 11.6766 11.9619 11.9619 13.4712 13.4712 k = 0.3333 0.5774 0.0566 ( 2643 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3518 -20.3518 -20.2904 -20.2904 -3.6568 -3.6568 -3.5794 -3.5794 4.0609 4.0609 4.5995 4.5995 4.6161 4.6161 6.0036 6.0036 6.1042 6.1042 6.5262 6.5262 10.8066 10.8066 11.6535 11.6535 11.9359 11.9359 13.5038 13.5038 k = 0.3333 0.5774 0.0679 ( 2652 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6568 -3.6568 -3.5796 -3.5796 4.0731 4.0731 4.5929 4.5929 4.6042 4.6042 6.0234 6.0234 6.1181 6.1181 6.4999 6.4999 10.8130 10.8130 11.6266 11.6266 11.9059 11.9059 13.5419 13.5419 k = 0.3333 0.5774 0.0792 ( 2649 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6569 -3.6569 -3.5798 -3.5798 4.0874 4.0874 4.5855 4.5855 4.5908 4.5908 6.0459 6.0459 6.1340 6.1340 6.4697 6.4697 10.8203 10.8203 11.5965 11.5965 11.8726 11.8726 13.5848 13.5848 k = 0.3333 0.5774 0.0905 ( 2649 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6569 -3.6569 -3.5800 -3.5800 4.1036 4.1036 4.5763 4.5763 4.5773 4.5773 6.0704 6.0704 6.1517 6.1517 6.4360 6.4360 10.8282 10.8282 11.5637 11.5637 11.8369 11.8369 13.6318 13.6318 k = 0.3333 0.5774 0.1018 ( 2637 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3517 -20.3517 -20.2905 -20.2905 -3.6570 -3.6570 -3.5803 -3.5803 4.1218 4.1218 4.5610 4.5610 4.5686 4.5686 6.0965 6.0965 6.1708 6.1708 6.3992 6.3992 10.8366 10.8366 11.5289 11.5289 11.7994 11.7994 13.6823 13.6823 k = 0.3333 0.5774 0.1131 ( 2631 PWs) bands (ev): -53.6679 -53.6679 -28.0044 -28.0044 -20.3517 -20.3517 -20.2904 -20.2904 -3.6570 -3.6570 -3.5805 -3.5805 4.1417 4.1417 4.5451 4.5451 4.5595 4.5595 6.1235 6.1235 6.1912 6.1912 6.3601 6.3601 10.8453 10.8453 11.4927 11.4927 11.7607 11.7607 13.7354 13.7354 k = 0.3333 0.5774 0.1244 ( 2643 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6571 -3.6571 -3.5808 -3.5808 4.1633 4.1633 4.5290 4.5290 4.5500 4.5500 6.1503 6.1503 6.2125 6.2125 6.3198 6.3198 10.8543 10.8543 11.4556 11.4556 11.7214 11.7214 13.7908 13.7908 k = 0.3333 0.5774 0.1357 ( 2643 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6571 -3.6571 -3.5811 -3.5811 4.1864 4.1864 4.5130 4.5130 4.5405 4.5405 6.1738 6.1738 6.2345 6.2345 6.2814 6.2814 10.8632 10.8632 11.4181 11.4181 11.6821 11.6821 13.8479 13.8479 k = 0.3333 0.5774 0.1470 ( 2643 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6572 -3.6572 -3.5814 -3.5814 4.2108 4.2108 4.4972 4.4972 4.5310 4.5310 6.1816 6.1816 6.2568 6.2568 6.2573 6.2573 10.8720 10.8720 11.3808 11.3808 11.6432 11.6432 13.9060 13.9060 k = 0.3333 0.5774 0.1583 ( 2646 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6573 -3.6573 -3.5817 -3.5817 4.2362 4.2362 4.4819 4.4819 4.5216 4.5216 6.1563 6.1563 6.2653 6.2653 6.2792 6.2792 10.8805 10.8805 11.3440 11.3440 11.6052 11.6052 13.9649 13.9649 k = 0.3333 0.5774 0.1697 ( 2649 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6573 -3.6573 -3.5820 -3.5820 4.2623 4.2623 4.4674 4.4674 4.5124 4.5124 6.1148 6.1148 6.2884 6.2884 6.3014 6.3014 10.8887 10.8887 11.3083 11.3083 11.5684 11.5684 14.0238 14.0238 k = 0.3333 0.5774 0.1810 ( 2643 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6574 -3.6574 -3.5823 -3.5823 4.2886 4.2886 4.4541 4.4541 4.5036 4.5036 6.0693 6.0693 6.3146 6.3146 6.3231 6.3231 10.8964 10.8964 11.2738 11.2738 11.5334 11.5334 14.0824 14.0824 k = 0.3333 0.5774 0.1923 ( 2643 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6575 -3.6575 -3.5826 -3.5826 4.3145 4.3145 4.4424 4.4424 4.4953 4.4953 6.0232 6.0232 6.3408 6.3408 6.3440 6.3440 10.9034 10.9034 11.2411 11.2411 11.5003 11.5003 14.1400 14.1400 k = 0.3333 0.5774 0.2036 ( 2640 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3518 -20.3518 -20.2905 -20.2905 -3.6575 -3.6575 -3.5828 -3.5828 4.3387 4.3387 4.4332 4.4332 4.4875 4.4875 5.9778 5.9778 6.3638 6.3638 6.3661 6.3661 10.9099 10.9099 11.2105 11.2105 11.4696 11.4696 14.1960 14.1960 k = 0.3333 0.5774 0.2149 ( 2634 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3517 -20.3517 -20.2905 -20.2905 -3.6576 -3.6576 -3.5831 -3.5831 4.3587 4.3587 4.4289 4.4289 4.4803 4.4803 5.9339 5.9339 6.3823 6.3823 6.3899 6.3899 10.9156 10.9156 11.1822 11.1822 11.4414 11.4414 14.2498 14.2498 k = 0.3333 0.5774 0.2262 ( 2634 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3517 -20.3517 -20.2905 -20.2905 -3.6576 -3.6576 -3.5833 -3.5833 4.3704 4.3704 4.4332 4.4332 4.4738 4.4738 5.8924 5.8924 6.3993 6.3993 6.4117 6.4117 10.9206 10.9206 11.1566 11.1566 11.4161 11.4161 14.3005 14.3005 k = 0.3333 0.5774 0.2375 ( 2634 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3517 -20.3517 -20.2905 -20.2905 -3.6577 -3.6577 -3.5835 -3.5835 4.3726 4.3726 4.4465 4.4465 4.4681 4.4681 5.8541 5.8541 6.4145 6.4145 6.4312 6.4312 10.9248 10.9248 11.1338 11.1338 11.3938 11.3938 14.3474 14.3474 k = 0.3333 0.5774 0.2488 ( 2634 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3517 -20.3517 -20.2905 -20.2905 -3.6577 -3.6577 -3.5837 -3.5837 4.3700 4.3700 4.4632 4.4632 4.4638 4.4638 5.8198 5.8198 6.4277 6.4277 6.4482 6.4482 10.9283 10.9283 11.1142 11.1142 11.3747 11.3747 14.3895 14.3895 k = 0.3333 0.5774 0.2601 ( 2634 PWs) bands (ev): -53.6679 -53.6679 -28.0045 -28.0045 -20.3517 -20.3517 -20.2905 -20.2905 -3.6578 -3.6578 -3.5838 -3.5838 4.3661 4.3661 4.4591 4.4591 4.4809 4.4809 5.7902 5.7902 6.4388 6.4388 6.4624 6.4624 10.9311 10.9311 11.0978 11.0978 11.3590 11.3590 14.4258 14.4258 k = 0.3333 0.5774 0.2714 ( 2640 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3517 -20.3517 -20.2906 -20.2906 -3.6578 -3.6578 -3.5840 -3.5840 4.3624 4.3624 4.4559 4.4559 4.4958 4.4958 5.7663 5.7663 6.4475 6.4475 6.4736 6.4736 10.9331 10.9331 11.0849 11.0849 11.3467 11.3467 14.4554 14.4554 k = 0.3333 0.5774 0.2828 ( 2637 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3517 -20.3517 -20.2905 -20.2905 -3.6578 -3.6578 -3.5841 -3.5841 4.3595 4.3595 4.4535 4.4535 4.5071 4.5071 5.7486 5.7486 6.4539 6.4539 6.4817 6.4817 10.9346 10.9346 11.0756 11.0756 11.3378 11.3378 14.4773 14.4773 k = 0.3333 0.5774 0.2941 ( 2637 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3517 -20.3517 -20.2906 -20.2906 -3.6578 -3.6578 -3.5841 -3.5841 4.3577 4.3577 4.4522 4.4522 4.5142 4.5142 5.7377 5.7377 6.4577 6.4577 6.4867 6.4867 10.9354 10.9354 11.0700 11.0700 11.3325 11.3325 14.4908 14.4908 k = 0.3333 0.5774 0.3054 ( 2640 PWs) bands (ev): -53.6679 -53.6679 -28.0046 -28.0046 -20.3517 -20.3517 -20.2906 -20.2906 -3.6578 -3.6578 -3.5841 -3.5841 4.3571 4.3571 4.4517 4.4517 4.5166 4.5166 5.7340 5.7340 6.4590 6.4590 6.4883 6.4883 10.9357 10.9357 11.0682 11.0682 11.3307 11.3307 14.4954 14.4954 Writing output data file HfSe2.save init_run : 0.13s CPU 0.23s WALL ( 1 calls) electrons : 58.04s CPU 59.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 58.04s CPU 59.40s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 364 calls) cegterg : 53.56s CPU 54.67s WALL ( 442 calls) Called by sum_band: Called by *egterg: h_psi : 25.60s CPU 26.22s WALL ( 7820 calls) s_psi : 0.82s CPU 0.92s WALL ( 7820 calls) g_psi : 0.10s CPU 0.09s WALL ( 7014 calls) cdiaghg : 25.43s CPU 26.01s WALL ( 7378 calls) cegterg:over : 1.90s CPU 1.86s WALL ( 7014 calls) cegterg:upda : 1.35s CPU 1.35s WALL ( 7014 calls) cegterg:last : 0.71s CPU 0.83s WALL ( 1170 calls) cdiaghg:chol : 1.34s CPU 1.29s WALL ( 7378 calls) cdiaghg:inve : 0.59s CPU 0.58s WALL ( 7378 calls) cdiaghg:para : 1.66s CPU 1.54s WALL ( 14756 calls) Called by h_psi: h_psi:vloc : 23.47s CPU 23.89s WALL ( 7820 calls) h_psi:vnl : 2.10s CPU 2.28s WALL ( 7820 calls) add_vuspsi : 1.07s CPU 1.14s WALL ( 7820 calls) General routines calbec : 1.00s CPU 1.12s WALL ( 7820 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 21.94s CPU 22.38s WALL ( 475352 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.12s WALL ( 728 calls) Parallel routines fft_scatter : 10.88s CPU 10.99s WALL ( 475375 calls) PWSCF : 1m 7.36s CPU 1m17.10s WALL This run was terminated on: 18:58:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=