Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:54:50 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: ./Na2O.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 34 28 8 790 588 93 Max 35 29 9 792 598 96 Sum 1237 1027 301 28475 21331 3383 bravais-lattice index = 14 lattice parameter (alat) = 7.4161 a.u. unit-cell volume = 288.4134 (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 = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.416121 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 381 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 -0.0050645 0.0071623), wk = 0.0026247 k( 3) = ( 0.0175439 -0.0101290 0.0143245), wk = 0.0026247 k( 4) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0026247 k( 5) = ( 0.0350877 -0.0202579 0.0286490), wk = 0.0026247 k( 6) = ( 0.0438597 -0.0253224 0.0358113), wk = 0.0026247 k( 7) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0026247 k( 8) = ( 0.0614035 -0.0354513 0.0501358), wk = 0.0026247 k( 9) = ( 0.0701754 -0.0405158 0.0572980), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0026247 k( 11) = ( 0.0877193 -0.0506448 0.0716225), wk = 0.0026247 k( 12) = ( 0.0964912 -0.0557092 0.0787848), wk = 0.0026247 k( 13) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0026247 k( 14) = ( 0.1140351 -0.0658382 0.0931093), wk = 0.0026247 k( 15) = ( 0.1228070 -0.0709027 0.1002715), wk = 0.0026247 k( 16) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0026247 k( 17) = ( 0.1403509 -0.0810316 0.1145960), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0860961 0.1217583), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0026247 k( 21) = ( 0.1754386 -0.1012895 0.1432450), wk = 0.0026247 k( 22) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0026247 k( 23) = ( 0.1929825 -0.1114185 0.1575695), wk = 0.0026247 k( 24) = ( 0.2017544 -0.1164830 0.1647318), wk = 0.0026247 k( 25) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0026247 k( 26) = ( 0.2192983 -0.1266119 0.1790563), wk = 0.0026247 k( 27) = ( 0.2280702 -0.1316764 0.1862185), wk = 0.0026247 k( 28) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0026247 k( 29) = ( 0.2456140 -0.1418053 0.2005430), wk = 0.0026247 k( 30) = ( 0.2543860 -0.1468698 0.2077053), wk = 0.0026247 k( 31) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0026247 k( 32) = ( 0.2719298 -0.1569988 0.2220298), wk = 0.0026247 k( 33) = ( 0.2807018 -0.1620632 0.2291920), wk = 0.0026247 k( 34) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0026247 k( 35) = ( 0.2982456 -0.1721922 0.2435165), wk = 0.0026247 k( 36) = ( 0.3070175 -0.1772567 0.2506788), wk = 0.0026247 k( 37) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0026247 k( 38) = ( 0.3245614 -0.1873856 0.2650033), wk = 0.0026247 k( 39) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0026247 k( 40) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0026247 k( 41) = ( 0.3508772 -0.2025790 0.2864900), wk = 0.0026247 k( 42) = ( 0.3596491 -0.2076435 0.2936523), wk = 0.0026247 k( 43) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0026247 k( 44) = ( 0.3771930 -0.2177725 0.3079768), wk = 0.0026247 k( 45) = ( 0.3859649 -0.2228369 0.3151390), wk = 0.0026247 k( 46) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0026247 k( 47) = ( 0.4035088 -0.2329659 0.3294635), wk = 0.0026247 k( 48) = ( 0.4122807 -0.2380304 0.3366258), wk = 0.0026247 k( 49) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0026247 k( 50) = ( 0.4298246 -0.2481593 0.3509503), wk = 0.0026247 k( 51) = ( 0.4385965 -0.2532238 0.3581125), wk = 0.0026247 k( 52) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0026247 k( 53) = ( 0.4561404 -0.2633528 0.3724370), wk = 0.0026247 k( 54) = ( 0.4649123 -0.2684172 0.3795993), wk = 0.0026247 k( 55) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0026247 k( 56) = ( 0.4824561 -0.2785462 0.3939238), wk = 0.0026247 k( 57) = ( 0.4912281 -0.2836107 0.4010860), wk = 0.0026247 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 60) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0026247 k( 61) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0026247 k( 62) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0026247 k( 63) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0026247 k( 64) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0026247 k( 65) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0026247 k( 66) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0026247 k( 67) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0026247 k( 68) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0026247 k( 69) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0026247 k( 70) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0026247 k( 71) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0026247 k( 72) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0026247 k( 73) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0026247 k( 74) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0026247 k( 75) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0026247 k( 76) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0026247 k( 77) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0026247 k( 78) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0026247 k( 79) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0026247 k( 80) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0026247 k( 81) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0026247 k( 82) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0026247 k( 83) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0026247 k( 84) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0026247 k( 85) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0026247 k( 86) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0026247 k( 87) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0026247 k( 88) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 89) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 90) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0026247 k( 91) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0026247 k( 92) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0026247 k( 93) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0026247 k( 94) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0026247 k( 95) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0026247 k( 96) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0026247 k( 97) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0026247 k( 98) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0026247 k( 99) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0026247 k( 100) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0026247 k( 101) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0026247 k( 102) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0026247 k( 103) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0026247 k( 104) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0026247 k( 105) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0026247 k( 106) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0026247 k( 107) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0026247 k( 108) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0026247 k( 109) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0026247 k( 110) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 112) = ( 0.3688525 0.2129571 0.6023335), wk = 0.0026247 k( 113) = ( 0.3627049 0.2094078 0.5922947), wk = 0.0026247 k( 114) = ( 0.3565574 0.2058585 0.5822558), wk = 0.0026247 k( 115) = ( 0.3504098 0.2023092 0.5722169), wk = 0.0026247 k( 116) = ( 0.3442623 0.1987599 0.5621780), wk = 0.0026247 k( 117) = ( 0.3381148 0.1952106 0.5521391), wk = 0.0026247 k( 118) = ( 0.3319672 0.1916614 0.5421002), wk = 0.0026247 k( 119) = ( 0.3258197 0.1881121 0.5320613), wk = 0.0026247 k( 120) = ( 0.3196721 0.1845628 0.5220224), wk = 0.0026247 k( 121) = ( 0.3135246 0.1810135 0.5119835), wk = 0.0026247 k( 122) = ( 0.3073770 0.1774642 0.5019446), wk = 0.0026247 k( 123) = ( 0.3012295 0.1739149 0.4919057), wk = 0.0026247 k( 124) = ( 0.2950820 0.1703657 0.4818668), wk = 0.0026247 k( 125) = ( 0.2889344 0.1668164 0.4718279), wk = 0.0026247 k( 126) = ( 0.2827869 0.1632671 0.4617890), wk = 0.0026247 k( 127) = ( 0.2766393 0.1597178 0.4517502), wk = 0.0026247 k( 128) = ( 0.2704918 0.1561685 0.4417113), wk = 0.0026247 k( 129) = ( 0.2643443 0.1526192 0.4316724), wk = 0.0026247 k( 130) = ( 0.2581967 0.1490699 0.4216335), wk = 0.0026247 k( 131) = ( 0.2520492 0.1455207 0.4115946), wk = 0.0026247 k( 132) = ( 0.2459016 0.1419714 0.4015557), wk = 0.0026247 k( 133) = ( 0.2397541 0.1384221 0.3915168), wk = 0.0026247 k( 134) = ( 0.2336066 0.1348728 0.3814779), wk = 0.0026247 k( 135) = ( 0.2274590 0.1313235 0.3714390), wk = 0.0026247 k( 136) = ( 0.2213115 0.1277742 0.3614001), wk = 0.0026247 k( 137) = ( 0.2151639 0.1242250 0.3513612), wk = 0.0026247 k( 138) = ( 0.2090164 0.1206757 0.3413223), wk = 0.0026247 k( 139) = ( 0.2028688 0.1171264 0.3312834), wk = 0.0026247 k( 140) = ( 0.1967213 0.1135771 0.3212446), wk = 0.0026247 k( 141) = ( 0.1905738 0.1100278 0.3112057), wk = 0.0026247 k( 142) = ( 0.1844262 0.1064785 0.3011668), wk = 0.0026247 k( 143) = ( 0.1782787 0.1029292 0.2911279), wk = 0.0026247 k( 144) = ( 0.1721312 0.0993800 0.2810890), wk = 0.0026247 k( 145) = ( 0.1659836 0.0958307 0.2710501), wk = 0.0026247 k( 146) = ( 0.1598361 0.0922814 0.2610112), wk = 0.0026247 k( 147) = ( 0.1536885 0.0887321 0.2509723), wk = 0.0026247 k( 148) = ( 0.1475410 0.0851828 0.2409334), wk = 0.0026247 k( 149) = ( 0.1413934 0.0816335 0.2308945), wk = 0.0026247 k( 150) = ( 0.1352459 0.0780843 0.2208556), wk = 0.0026247 k( 151) = ( 0.1290984 0.0745350 0.2108167), wk = 0.0026247 k( 152) = ( 0.1229508 0.0709857 0.2007778), wk = 0.0026247 k( 153) = ( 0.1168033 0.0674364 0.1907390), wk = 0.0026247 k( 154) = ( 0.1106557 0.0638871 0.1807001), wk = 0.0026247 k( 155) = ( 0.1045082 0.0603378 0.1706612), wk = 0.0026247 k( 156) = ( 0.0983607 0.0567886 0.1606223), wk = 0.0026247 k( 157) = ( 0.0922131 0.0532393 0.1505834), wk = 0.0026247 k( 158) = ( 0.0860656 0.0496900 0.1405445), wk = 0.0026247 k( 159) = ( 0.0799180 0.0461407 0.1305056), wk = 0.0026247 k( 160) = ( 0.0737705 0.0425914 0.1204667), wk = 0.0026247 k( 161) = ( 0.0676230 0.0390421 0.1104278), wk = 0.0026247 k( 162) = ( 0.0614754 0.0354928 0.1003889), wk = 0.0026247 k( 163) = ( 0.0553279 0.0319436 0.0903500), wk = 0.0026247 k( 164) = ( 0.0491803 0.0283943 0.0803111), wk = 0.0026247 k( 165) = ( 0.0430328 0.0248450 0.0702722), wk = 0.0026247 k( 166) = ( 0.0368853 0.0212957 0.0602333), wk = 0.0026247 k( 167) = ( 0.0307377 0.0177464 0.0501945), wk = 0.0026247 k( 168) = ( 0.0245902 0.0141971 0.0401556), wk = 0.0026247 k( 169) = ( 0.0184426 0.0106479 0.0301167), wk = 0.0026247 k( 170) = ( 0.0122951 0.0070986 0.0200778), wk = 0.0026247 k( 171) = ( 0.0061475 0.0035493 0.0100389), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0057735 0.0040825), wk = 0.0026247 k( 175) = ( 0.0200000 0.0115470 0.0081650), wk = 0.0026247 k( 176) = ( 0.0300000 0.0173205 0.0122474), wk = 0.0026247 k( 177) = ( 0.0400000 0.0230940 0.0163299), wk = 0.0026247 k( 178) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0026247 k( 179) = ( 0.0600000 0.0346410 0.0244949), wk = 0.0026247 k( 180) = ( 0.0700000 0.0404145 0.0285774), wk = 0.0026247 k( 181) = ( 0.0800000 0.0461880 0.0326599), wk = 0.0026247 k( 182) = ( 0.0900000 0.0519615 0.0367423), wk = 0.0026247 k( 183) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0026247 k( 184) = ( 0.1100000 0.0635085 0.0449073), wk = 0.0026247 k( 185) = ( 0.1200000 0.0692820 0.0489898), wk = 0.0026247 k( 186) = ( 0.1300000 0.0750555 0.0530723), wk = 0.0026247 k( 187) = ( 0.1400000 0.0808290 0.0571548), wk = 0.0026247 k( 188) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0026247 k( 189) = ( 0.1600000 0.0923760 0.0653197), wk = 0.0026247 k( 190) = ( 0.1700000 0.0981495 0.0694022), wk = 0.0026247 k( 191) = ( 0.1800000 0.1039230 0.0734847), wk = 0.0026247 k( 192) = ( 0.1900000 0.1096966 0.0775672), wk = 0.0026247 k( 193) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0026247 k( 194) = ( 0.2100000 0.1212436 0.0857321), wk = 0.0026247 k( 195) = ( 0.2200000 0.1270171 0.0898146), wk = 0.0026247 k( 196) = ( 0.2300000 0.1327906 0.0938971), wk = 0.0026247 k( 197) = ( 0.2400000 0.1385641 0.0979796), wk = 0.0026247 k( 198) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0026247 k( 199) = ( 0.2600000 0.1501111 0.1061446), wk = 0.0026247 k( 200) = ( 0.2700000 0.1558846 0.1102270), wk = 0.0026247 k( 201) = ( 0.2800000 0.1616581 0.1143095), wk = 0.0026247 k( 202) = ( 0.2900000 0.1674316 0.1183920), wk = 0.0026247 k( 203) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0026247 k( 204) = ( 0.3100000 0.1789786 0.1265570), wk = 0.0026247 k( 205) = ( 0.3200000 0.1847521 0.1306395), wk = 0.0026247 k( 206) = ( 0.3300000 0.1905256 0.1347219), wk = 0.0026247 k( 207) = ( 0.3400000 0.1962991 0.1388044), wk = 0.0026247 k( 208) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0026247 k( 209) = ( 0.3600000 0.2078461 0.1469694), wk = 0.0026247 k( 210) = ( 0.3700000 0.2136196 0.1510519), wk = 0.0026247 k( 211) = ( 0.3800000 0.2193931 0.1551344), wk = 0.0026247 k( 212) = ( 0.3900000 0.2251666 0.1592168), wk = 0.0026247 k( 213) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0026247 k( 214) = ( 0.4100000 0.2367136 0.1673818), wk = 0.0026247 k( 215) = ( 0.4200000 0.2424871 0.1714643), wk = 0.0026247 k( 216) = ( 0.4300000 0.2482606 0.1755468), wk = 0.0026247 k( 217) = ( 0.4400000 0.2540341 0.1796292), wk = 0.0026247 k( 218) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0026247 k( 219) = ( 0.4600000 0.2655811 0.1877942), wk = 0.0026247 k( 220) = ( 0.4700000 0.2713546 0.1918767), wk = 0.0026247 k( 221) = ( 0.4800000 0.2771281 0.1959592), wk = 0.0026247 k( 222) = ( 0.4900000 0.2829016 0.2000417), wk = 0.0026247 k( 223) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 224) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 225) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026247 k( 226) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026247 k( 227) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026247 k( 228) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026247 k( 229) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026247 k( 230) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026247 k( 231) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026247 k( 232) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026247 k( 233) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026247 k( 234) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026247 k( 235) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026247 k( 236) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026247 k( 237) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026247 k( 238) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026247 k( 239) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026247 k( 240) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026247 k( 241) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026247 k( 242) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026247 k( 243) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026247 k( 244) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026247 k( 245) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026247 k( 246) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026247 k( 247) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026247 k( 248) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026247 k( 249) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026247 k( 250) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026247 k( 251) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026247 k( 252) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0026247 k( 253) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026247 k( 254) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026247 k( 255) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026247 k( 256) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026247 k( 257) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026247 k( 258) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026247 k( 259) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 260) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 261) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0026247 k( 262) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0026247 k( 263) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0026247 k( 264) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0026247 k( 265) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0026247 k( 266) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0026247 k( 267) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0026247 k( 268) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0026247 k( 269) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0026247 k( 270) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0026247 k( 271) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0026247 k( 272) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0026247 k( 273) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0026247 k( 274) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0026247 k( 275) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0026247 k( 276) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0026247 k( 277) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0026247 k( 278) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0026247 k( 279) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0026247 k( 280) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0026247 k( 281) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 282) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 283) = ( 0.5000000 0.0070409 0.6024152), wk = 0.0026247 k( 284) = ( 0.5000000 0.0140817 0.5924579), wk = 0.0026247 k( 285) = ( 0.5000000 0.0211226 0.5825006), wk = 0.0026247 k( 286) = ( 0.5000000 0.0281634 0.5725433), wk = 0.0026247 k( 287) = ( 0.5000000 0.0352043 0.5625861), wk = 0.0026247 k( 288) = ( 0.5000000 0.0422451 0.5526288), wk = 0.0026247 k( 289) = ( 0.5000000 0.0492860 0.5426715), wk = 0.0026247 k( 290) = ( 0.5000000 0.0563269 0.5327142), wk = 0.0026247 k( 291) = ( 0.5000000 0.0633677 0.5227570), wk = 0.0026247 k( 292) = ( 0.5000000 0.0704086 0.5127997), wk = 0.0026247 k( 293) = ( 0.5000000 0.0774494 0.5028424), wk = 0.0026247 k( 294) = ( 0.5000000 0.0844903 0.4928851), wk = 0.0026247 k( 295) = ( 0.5000000 0.0915311 0.4829279), wk = 0.0026247 k( 296) = ( 0.5000000 0.0985720 0.4729706), wk = 0.0026247 k( 297) = ( 0.5000000 0.1056128 0.4630133), wk = 0.0026247 k( 298) = ( 0.5000000 0.1126537 0.4530560), wk = 0.0026247 k( 299) = ( 0.5000000 0.1196946 0.4430987), wk = 0.0026247 k( 300) = ( 0.5000000 0.1267354 0.4331415), wk = 0.0026247 k( 301) = ( 0.5000000 0.1337763 0.4231842), wk = 0.0026247 k( 302) = ( 0.5000000 0.1408171 0.4132269), wk = 0.0026247 k( 303) = ( 0.5000000 0.1478580 0.4032697), wk = 0.0026247 k( 304) = ( 0.5000000 0.1548989 0.3933124), wk = 0.0026247 k( 305) = ( 0.5000000 0.1619397 0.3833551), wk = 0.0026247 k( 306) = ( 0.5000000 0.1689806 0.3733978), wk = 0.0026247 k( 307) = ( 0.5000000 0.1760214 0.3634406), wk = 0.0026247 k( 308) = ( 0.5000000 0.1830623 0.3534833), wk = 0.0026247 k( 309) = ( 0.5000000 0.1901031 0.3435260), wk = 0.0026247 k( 310) = ( 0.5000000 0.1971440 0.3335687), wk = 0.0026247 k( 311) = ( 0.5000000 0.2041849 0.3236114), wk = 0.0026247 k( 312) = ( 0.5000000 0.2112257 0.3136542), wk = 0.0026247 k( 313) = ( 0.5000000 0.2182666 0.3036969), wk = 0.0026247 k( 314) = ( 0.5000000 0.2253074 0.2937396), wk = 0.0026247 k( 315) = ( 0.5000000 0.2323483 0.2837824), wk = 0.0026247 k( 316) = ( 0.5000000 0.2393891 0.2738251), wk = 0.0026247 k( 317) = ( 0.5000000 0.2464300 0.2638678), wk = 0.0026247 k( 318) = ( 0.5000000 0.2534709 0.2539105), wk = 0.0026247 k( 319) = ( 0.5000000 0.2605117 0.2439532), wk = 0.0026247 k( 320) = ( 0.5000000 0.2675526 0.2339960), wk = 0.0026247 k( 321) = ( 0.5000000 0.2745934 0.2240387), wk = 0.0026247 k( 322) = ( 0.5000000 0.2816343 0.2140814), wk = 0.0026247 k( 323) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 324) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 325) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026247 k( 326) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026247 k( 327) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026247 k( 328) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026247 k( 329) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026247 k( 330) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026247 k( 331) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026247 k( 332) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026247 k( 333) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026247 k( 334) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026247 k( 335) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026247 k( 336) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026247 k( 337) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026247 k( 338) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026247 k( 339) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026247 k( 340) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026247 k( 341) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026247 k( 342) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026247 k( 343) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026247 k( 344) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026247 k( 345) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026247 k( 346) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026247 k( 347) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026247 k( 348) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026247 k( 349) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026247 k( 350) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026247 k( 351) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026247 k( 352) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026247 k( 353) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026247 k( 354) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026247 k( 355) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026247 k( 356) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026247 k( 357) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026247 k( 358) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026247 k( 359) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 360) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 361) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0026247 k( 362) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0026247 k( 363) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0026247 k( 364) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0026247 k( 365) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0026247 k( 366) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0026247 k( 367) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0026247 k( 368) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0026247 k( 369) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0026247 k( 370) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0026247 k( 371) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0026247 k( 372) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0026247 k( 373) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0026247 k( 374) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0026247 k( 375) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0026247 k( 376) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0026247 k( 377) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0026247 k( 378) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0026247 k( 379) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0026247 k( 380) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0026247 k( 381) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 0.0000000 0.0087719), wk = 0.0026247 k( 3) = ( 0.0175439 0.0000000 0.0175439), wk = 0.0026247 k( 4) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0026247 k( 5) = ( 0.0350877 0.0000000 0.0350877), wk = 0.0026247 k( 6) = ( 0.0438597 -0.0000000 0.0438597), wk = 0.0026247 k( 7) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0026247 k( 8) = ( 0.0614035 -0.0000000 0.0614035), wk = 0.0026247 k( 9) = ( 0.0701754 0.0000000 0.0701754), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0026247 k( 11) = ( 0.0877193 -0.0000000 0.0877193), wk = 0.0026247 k( 12) = ( 0.0964912 -0.0000000 0.0964912), wk = 0.0026247 k( 13) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0026247 k( 14) = ( 0.1140351 -0.0000000 0.1140351), wk = 0.0026247 k( 15) = ( 0.1228070 -0.0000000 0.1228070), wk = 0.0026247 k( 16) = ( 0.1315790 0.0000000 0.1315790), wk = 0.0026247 k( 17) = ( 0.1403509 0.0000000 0.1403509), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0000000 0.1491228), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0026247 k( 21) = ( 0.1754386 -0.0000000 0.1754386), wk = 0.0026247 k( 22) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0026247 k( 23) = ( 0.1929825 -0.0000000 0.1929825), wk = 0.0026247 k( 24) = ( 0.2017544 -0.0000000 0.2017544), wk = 0.0026247 k( 25) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0026247 k( 26) = ( 0.2192983 -0.0000000 0.2192983), wk = 0.0026247 k( 27) = ( 0.2280702 -0.0000000 0.2280702), wk = 0.0026247 k( 28) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0026247 k( 29) = ( 0.2456140 -0.0000000 0.2456140), wk = 0.0026247 k( 30) = ( 0.2543860 0.0000000 0.2543860), wk = 0.0026247 k( 31) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0026247 k( 32) = ( 0.2719298 0.0000000 0.2719298), wk = 0.0026247 k( 33) = ( 0.2807018 0.0000000 0.2807018), wk = 0.0026247 k( 34) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0026247 k( 35) = ( 0.2982456 0.0000000 0.2982456), wk = 0.0026247 k( 36) = ( 0.3070175 0.0000000 0.3070175), wk = 0.0026247 k( 37) = ( 0.3157895 -0.0000000 0.3157895), wk = 0.0026247 k( 38) = ( 0.3245614 0.0000000 0.3245614), wk = 0.0026247 k( 39) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0026247 k( 40) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0026247 k( 41) = ( 0.3508772 -0.0000000 0.3508772), wk = 0.0026247 k( 42) = ( 0.3596491 -0.0000000 0.3596491), wk = 0.0026247 k( 43) = ( 0.3684211 -0.0000000 0.3684211), wk = 0.0026247 k( 44) = ( 0.3771930 -0.0000000 0.3771930), wk = 0.0026247 k( 45) = ( 0.3859649 -0.0000000 0.3859649), wk = 0.0026247 k( 46) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0026247 k( 47) = ( 0.4035088 -0.0000000 0.4035088), wk = 0.0026247 k( 48) = ( 0.4122807 -0.0000000 0.4122807), wk = 0.0026247 k( 49) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0026247 k( 50) = ( 0.4298246 -0.0000000 0.4298246), wk = 0.0026247 k( 51) = ( 0.4385965 -0.0000000 0.4385965), wk = 0.0026247 k( 52) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0026247 k( 53) = ( 0.4561404 0.0000000 0.4561404), wk = 0.0026247 k( 54) = ( 0.4649123 0.0000000 0.4649123), wk = 0.0026247 k( 55) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0026247 k( 56) = ( 0.4824561 -0.0000000 0.4824561), wk = 0.0026247 k( 57) = ( 0.4912281 -0.0000000 0.4912281), wk = 0.0026247 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 60) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0026247 k( 61) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0026247 k( 62) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0026247 k( 63) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0026247 k( 64) = ( 0.5000000 0.0431034 0.5431035), wk = 0.0026247 k( 65) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0026247 k( 66) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0026247 k( 67) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0026247 k( 68) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0026247 k( 69) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0026247 k( 70) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0026247 k( 71) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0026247 k( 72) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0026247 k( 73) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0026247 k( 74) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0026247 k( 75) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0026247 k( 76) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0026247 k( 77) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0026247 k( 78) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0026247 k( 79) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0026247 k( 80) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0026247 k( 81) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0026247 k( 82) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0026247 k( 83) = ( 0.5000000 0.2068966 0.7068966), wk = 0.0026247 k( 84) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0026247 k( 85) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0026247 k( 86) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0026247 k( 87) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0026247 k( 88) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 90) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0026247 k( 91) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0026247 k( 92) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0026247 k( 93) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0026247 k( 94) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0026247 k( 95) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0026247 k( 96) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0026247 k( 97) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0026247 k( 98) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0026247 k( 99) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0026247 k( 100) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0026247 k( 101) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0026247 k( 102) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0026247 k( 103) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0026247 k( 104) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0026247 k( 105) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0026247 k( 106) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0026247 k( 107) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0026247 k( 108) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0026247 k( 109) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0026247 k( 110) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 112) = ( 0.3688525 0.3688525 0.7377049), wk = 0.0026247 k( 113) = ( 0.3627049 0.3627049 0.7254098), wk = 0.0026247 k( 114) = ( 0.3565574 0.3565574 0.7131148), wk = 0.0026247 k( 115) = ( 0.3504098 0.3504098 0.7008197), wk = 0.0026247 k( 116) = ( 0.3442623 0.3442623 0.6885246), wk = 0.0026247 k( 117) = ( 0.3381148 0.3381148 0.6762295), wk = 0.0026247 k( 118) = ( 0.3319672 0.3319672 0.6639344), wk = 0.0026247 k( 119) = ( 0.3258197 0.3258197 0.6516393), wk = 0.0026247 k( 120) = ( 0.3196721 0.3196721 0.6393443), wk = 0.0026247 k( 121) = ( 0.3135246 0.3135246 0.6270492), wk = 0.0026247 k( 122) = ( 0.3073770 0.3073771 0.6147541), wk = 0.0026247 k( 123) = ( 0.3012295 0.3012295 0.6024590), wk = 0.0026247 k( 124) = ( 0.2950820 0.2950820 0.5901639), wk = 0.0026247 k( 125) = ( 0.2889344 0.2889344 0.5778689), wk = 0.0026247 k( 126) = ( 0.2827869 0.2827869 0.5655738), wk = 0.0026247 k( 127) = ( 0.2766393 0.2766393 0.5532787), wk = 0.0026247 k( 128) = ( 0.2704918 0.2704918 0.5409836), wk = 0.0026247 k( 129) = ( 0.2643443 0.2643443 0.5286885), wk = 0.0026247 k( 130) = ( 0.2581967 0.2581967 0.5163934), wk = 0.0026247 k( 131) = ( 0.2520492 0.2520492 0.5040984), wk = 0.0026247 k( 132) = ( 0.2459016 0.2459016 0.4918033), wk = 0.0026247 k( 133) = ( 0.2397541 0.2397541 0.4795082), wk = 0.0026247 k( 134) = ( 0.2336066 0.2336066 0.4672131), wk = 0.0026247 k( 135) = ( 0.2274590 0.2274590 0.4549180), wk = 0.0026247 k( 136) = ( 0.2213115 0.2213115 0.4426230), wk = 0.0026247 k( 137) = ( 0.2151639 0.2151639 0.4303279), wk = 0.0026247 k( 138) = ( 0.2090164 0.2090164 0.4180328), wk = 0.0026247 k( 139) = ( 0.2028688 0.2028688 0.4057377), wk = 0.0026247 k( 140) = ( 0.1967213 0.1967213 0.3934426), wk = 0.0026247 k( 141) = ( 0.1905738 0.1905738 0.3811475), wk = 0.0026247 k( 142) = ( 0.1844262 0.1844262 0.3688525), wk = 0.0026247 k( 143) = ( 0.1782787 0.1782787 0.3565574), wk = 0.0026247 k( 144) = ( 0.1721312 0.1721312 0.3442623), wk = 0.0026247 k( 145) = ( 0.1659836 0.1659836 0.3319672), wk = 0.0026247 k( 146) = ( 0.1598361 0.1598361 0.3196721), wk = 0.0026247 k( 147) = ( 0.1536885 0.1536885 0.3073771), wk = 0.0026247 k( 148) = ( 0.1475410 0.1475410 0.2950820), wk = 0.0026247 k( 149) = ( 0.1413934 0.1413934 0.2827869), wk = 0.0026247 k( 150) = ( 0.1352459 0.1352459 0.2704918), wk = 0.0026247 k( 151) = ( 0.1290984 0.1290984 0.2581967), wk = 0.0026247 k( 152) = ( 0.1229508 0.1229508 0.2459016), wk = 0.0026247 k( 153) = ( 0.1168033 0.1168033 0.2336066), wk = 0.0026247 k( 154) = ( 0.1106557 0.1106557 0.2213115), wk = 0.0026247 k( 155) = ( 0.1045082 0.1045082 0.2090164), wk = 0.0026247 k( 156) = ( 0.0983607 0.0983607 0.1967213), wk = 0.0026247 k( 157) = ( 0.0922131 0.0922131 0.1844262), wk = 0.0026247 k( 158) = ( 0.0860656 0.0860656 0.1721312), wk = 0.0026247 k( 159) = ( 0.0799180 0.0799180 0.1598361), wk = 0.0026247 k( 160) = ( 0.0737705 0.0737705 0.1475410), wk = 0.0026247 k( 161) = ( 0.0676230 0.0676230 0.1352459), wk = 0.0026247 k( 162) = ( 0.0614754 0.0614754 0.1229508), wk = 0.0026247 k( 163) = ( 0.0553279 0.0553279 0.1106557), wk = 0.0026247 k( 164) = ( 0.0491803 0.0491803 0.0983607), wk = 0.0026247 k( 165) = ( 0.0430328 0.0430328 0.0860656), wk = 0.0026247 k( 166) = ( 0.0368853 0.0368853 0.0737705), wk = 0.0026247 k( 167) = ( 0.0307377 0.0307377 0.0614754), wk = 0.0026247 k( 168) = ( 0.0245902 0.0245902 0.0491803), wk = 0.0026247 k( 169) = ( 0.0184426 0.0184426 0.0368853), wk = 0.0026247 k( 170) = ( 0.0122951 0.0122951 0.0245902), wk = 0.0026247 k( 171) = ( 0.0061475 0.0061475 0.0122951), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0026247 k( 175) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0026247 k( 176) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0026247 k( 177) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0026247 k( 178) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0026247 k( 179) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0026247 k( 180) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0026247 k( 181) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0026247 k( 182) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0026247 k( 183) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026247 k( 184) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0026247 k( 185) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0026247 k( 186) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0026247 k( 187) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0026247 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0026247 k( 189) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0026247 k( 190) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0026247 k( 191) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0026247 k( 192) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0026247 k( 193) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026247 k( 194) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0026247 k( 195) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0026247 k( 196) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0026247 k( 197) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0026247 k( 198) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026247 k( 199) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0026247 k( 200) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0026247 k( 201) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0026247 k( 202) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0026247 k( 203) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026247 k( 204) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0026247 k( 205) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0026247 k( 206) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0026247 k( 207) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0026247 k( 208) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0026247 k( 209) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0026247 k( 210) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0026247 k( 211) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0026247 k( 212) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0026247 k( 213) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026247 k( 214) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0026247 k( 215) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0026247 k( 216) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0026247 k( 217) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0026247 k( 218) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0026247 k( 219) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0026247 k( 220) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0026247 k( 221) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0026247 k( 222) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0026247 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 225) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026247 k( 226) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026247 k( 227) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026247 k( 228) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026247 k( 229) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026247 k( 230) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026247 k( 231) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026247 k( 232) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026247 k( 233) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026247 k( 234) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026247 k( 235) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026247 k( 236) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026247 k( 237) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026247 k( 238) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026247 k( 239) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026247 k( 240) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026247 k( 241) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026247 k( 242) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026247 k( 243) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026247 k( 244) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026247 k( 245) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026247 k( 246) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026247 k( 247) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026247 k( 248) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026247 k( 249) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026247 k( 250) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026247 k( 251) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026247 k( 252) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026247 k( 253) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026247 k( 254) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026247 k( 255) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026247 k( 256) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026247 k( 257) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026247 k( 258) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026247 k( 259) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 260) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 261) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0026247 k( 262) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0026247 k( 263) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0026247 k( 264) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0026247 k( 265) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0026247 k( 266) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0026247 k( 267) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0026247 k( 268) = ( 0.5773810 0.2500000 0.6726191), wk = 0.0026247 k( 269) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0026247 k( 270) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0026247 k( 271) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0026247 k( 272) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0026247 k( 273) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0026247 k( 274) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0026247 k( 275) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0026247 k( 276) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0026247 k( 277) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0026247 k( 278) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0026247 k( 279) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0026247 k( 280) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0026247 k( 281) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 282) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 283) = ( 0.5000000 0.2560976 0.7439024), wk = 0.0026247 k( 284) = ( 0.5000000 0.2621951 0.7378049), wk = 0.0026247 k( 285) = ( 0.5000000 0.2682927 0.7317073), wk = 0.0026247 k( 286) = ( 0.5000000 0.2743902 0.7256098), wk = 0.0026247 k( 287) = ( 0.5000000 0.2804878 0.7195122), wk = 0.0026247 k( 288) = ( 0.5000000 0.2865854 0.7134146), wk = 0.0026247 k( 289) = ( 0.5000000 0.2926829 0.7073171), wk = 0.0026247 k( 290) = ( 0.5000000 0.2987805 0.7012195), wk = 0.0026247 k( 291) = ( 0.5000000 0.3048781 0.6951220), wk = 0.0026247 k( 292) = ( 0.5000000 0.3109756 0.6890244), wk = 0.0026247 k( 293) = ( 0.5000000 0.3170732 0.6829268), wk = 0.0026247 k( 294) = ( 0.5000000 0.3231707 0.6768293), wk = 0.0026247 k( 295) = ( 0.5000000 0.3292683 0.6707317), wk = 0.0026247 k( 296) = ( 0.5000000 0.3353659 0.6646342), wk = 0.0026247 k( 297) = ( 0.5000000 0.3414634 0.6585366), wk = 0.0026247 k( 298) = ( 0.5000000 0.3475610 0.6524390), wk = 0.0026247 k( 299) = ( 0.5000000 0.3536585 0.6463415), wk = 0.0026247 k( 300) = ( 0.5000000 0.3597561 0.6402439), wk = 0.0026247 k( 301) = ( 0.5000000 0.3658537 0.6341463), wk = 0.0026247 k( 302) = ( 0.5000000 0.3719512 0.6280488), wk = 0.0026247 k( 303) = ( 0.5000000 0.3780488 0.6219512), wk = 0.0026247 k( 304) = ( 0.5000000 0.3841463 0.6158537), wk = 0.0026247 k( 305) = ( 0.5000000 0.3902439 0.6097561), wk = 0.0026247 k( 306) = ( 0.5000000 0.3963415 0.6036585), wk = 0.0026247 k( 307) = ( 0.5000000 0.4024390 0.5975610), wk = 0.0026247 k( 308) = ( 0.5000000 0.4085366 0.5914634), wk = 0.0026247 k( 309) = ( 0.5000000 0.4146341 0.5853658), wk = 0.0026247 k( 310) = ( 0.5000000 0.4207317 0.5792683), wk = 0.0026247 k( 311) = ( 0.5000000 0.4268293 0.5731707), wk = 0.0026247 k( 312) = ( 0.5000000 0.4329268 0.5670732), wk = 0.0026247 k( 313) = ( 0.5000000 0.4390244 0.5609756), wk = 0.0026247 k( 314) = ( 0.5000000 0.4451220 0.5548781), wk = 0.0026247 k( 315) = ( 0.5000000 0.4512195 0.5487805), wk = 0.0026247 k( 316) = ( 0.5000000 0.4573171 0.5426829), wk = 0.0026247 k( 317) = ( 0.5000000 0.4634146 0.5365854), wk = 0.0026247 k( 318) = ( 0.5000000 0.4695122 0.5304878), wk = 0.0026247 k( 319) = ( 0.5000000 0.4756098 0.5243902), wk = 0.0026247 k( 320) = ( 0.5000000 0.4817073 0.5182927), wk = 0.0026247 k( 321) = ( 0.5000000 0.4878049 0.5121951), wk = 0.0026247 k( 322) = ( 0.5000000 0.4939024 0.5060976), wk = 0.0026247 k( 323) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 325) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026247 k( 326) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026247 k( 327) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026247 k( 328) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026247 k( 329) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026247 k( 330) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026247 k( 331) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026247 k( 332) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026247 k( 333) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026247 k( 334) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026247 k( 335) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026247 k( 336) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026247 k( 337) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026247 k( 338) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026247 k( 339) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026247 k( 340) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026247 k( 341) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026247 k( 342) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026247 k( 343) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026247 k( 344) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026247 k( 345) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026247 k( 346) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026247 k( 347) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026247 k( 348) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026247 k( 349) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026247 k( 350) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026247 k( 351) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026247 k( 352) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026247 k( 353) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026247 k( 354) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026247 k( 355) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026247 k( 356) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026247 k( 357) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026247 k( 358) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026247 k( 359) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 360) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 361) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0026247 k( 362) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0026247 k( 363) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0026247 k( 364) = ( 0.6011905 0.2023809 0.6011905), wk = 0.0026247 k( 365) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0026247 k( 366) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0026247 k( 367) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0026247 k( 368) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0026247 k( 369) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0026247 k( 370) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0026247 k( 371) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0026247 k( 372) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0026247 k( 373) = ( 0.5476190 0.0952381 0.5476191), wk = 0.0026247 k( 374) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0026247 k( 375) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0026247 k( 376) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0026247 k( 377) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0026247 k( 378) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0026247 k( 379) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0026247 k( 380) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0026247 k( 381) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 Dense grid: 28475 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 21331 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 158, 32) NL pseudopotentials 0.05 Mb ( 79, 42) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 791) G-vector shells 0.00 Mb ( 259) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 158, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.04 Mb ( 42, 2, 32) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Na2O.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.3 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.7 secs Computing kpt #: 5 total cpu time spent up to now is 1.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.0 secs Computing kpt #: 7 total cpu time spent up to now is 2.1 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.5 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 3.9 secs Computing kpt #: 18 total cpu time spent up to now is 4.0 secs Computing kpt #: 19 total cpu time spent up to now is 4.2 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.7 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.0 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.3 secs Computing kpt #: 27 total cpu time spent up to now is 5.5 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 secs Computing kpt #: 29 total cpu time spent up to now is 5.8 secs Computing kpt #: 30 total cpu time spent up to now is 6.0 secs Computing kpt #: 31 total cpu time spent up to now is 6.2 secs Computing kpt #: 32 total cpu time spent up to now is 6.4 secs Computing kpt #: 33 total cpu time spent up to now is 6.5 secs Computing kpt #: 34 total cpu time spent up to now is 6.7 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.0 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.4 secs Computing kpt #: 39 total cpu time spent up to now is 7.6 secs Computing kpt #: 40 total cpu time spent up to now is 7.8 secs Computing kpt #: 41 total cpu time spent up to now is 7.9 secs Computing kpt #: 42 total cpu time spent up to now is 8.1 secs Computing kpt #: 43 total cpu time spent up to now is 8.3 secs Computing kpt #: 44 total cpu time spent up to now is 8.5 secs Computing kpt #: 45 total cpu time spent up to now is 8.6 secs Computing kpt #: 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Computing kpt #: 62 total cpu time spent up to now is 11.7 secs Computing kpt #: 63 total cpu time spent up to now is 11.9 secs Computing kpt #: 64 total cpu time spent up to now is 12.0 secs Computing kpt #: 65 total cpu time spent up to now is 12.1 secs Computing kpt #: 66 total cpu time spent up to now is 12.3 secs Computing kpt #: 67 total cpu time spent up to now is 12.4 secs Computing kpt #: 68 total cpu time spent up to now is 12.6 secs Computing kpt #: 69 total cpu time spent up to now is 12.7 secs Computing kpt #: 70 total cpu time spent up to now is 12.9 secs Computing kpt #: 71 total cpu time spent up to now is 13.0 secs Computing kpt #: 72 total cpu time spent up to now is 13.1 secs Computing kpt #: 73 total cpu time spent up to now is 13.3 secs Computing kpt #: 74 total cpu time spent up to now is 13.4 secs Computing kpt #: 75 total cpu time spent up to now is 13.6 secs Computing kpt #: 76 total cpu time spent up to now is 13.7 secs Computing kpt #: 77 total cpu time spent up to now is 13.9 secs Computing kpt #: 78 total cpu time spent up to now is 14.0 secs Computing kpt #: 79 total cpu time spent up to now is 14.1 secs Computing kpt #: 80 total cpu time spent up to now is 14.3 secs Computing kpt #: 81 total cpu time spent up to now is 14.4 secs Computing kpt #: 82 total cpu time spent up to now is 14.6 secs Computing kpt #: 83 total cpu time spent up to now is 14.8 secs Computing kpt #: 84 total cpu time spent up to now is 15.0 secs Computing kpt #: 85 total cpu time spent up to now is 15.2 secs Computing kpt #: 86 total cpu time spent up to now is 15.4 secs Computing kpt #: 87 total cpu time spent up to now is 15.6 secs Computing kpt #: 88 total cpu time spent up to now is 15.8 secs Computing kpt #: 89 total cpu time spent up to now is 15.9 secs Computing kpt #: 90 total cpu time spent up to now is 16.1 secs Computing kpt #: 91 total cpu time spent up to now is 16.2 secs Computing kpt #: 92 total cpu time spent up to now is 16.4 secs Computing kpt #: 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Computing kpt #: 124 total cpu time spent up to now is 21.0 secs Computing kpt #: 125 total cpu time spent up to now is 21.2 secs Computing kpt #: 126 total cpu time spent up to now is 21.3 secs Computing kpt #: 127 total cpu time spent up to now is 21.5 secs Computing kpt #: 128 total cpu time spent up to now is 21.6 secs Computing kpt #: 129 total cpu time spent up to now is 21.8 secs Computing kpt #: 130 total cpu time spent up to now is 21.9 secs Computing kpt #: 131 total cpu time spent up to now is 22.1 secs Computing kpt #: 132 total cpu time spent up to now is 22.2 secs Computing kpt #: 133 total cpu time spent up to now is 22.4 secs Computing kpt #: 134 total cpu time spent up to now is 22.5 secs Computing kpt #: 135 total cpu time spent up to now is 22.7 secs Computing kpt #: 136 total cpu time spent up to now is 22.8 secs Computing kpt #: 137 total cpu time spent up to now is 23.0 secs Computing kpt #: 138 total cpu time spent up to now is 23.1 secs Computing kpt #: 139 total cpu time spent up to now is 23.3 secs Computing kpt #: 140 total cpu time spent up to now is 23.4 secs Computing kpt #: 141 total cpu time spent up to now is 23.6 secs Computing kpt #: 142 total cpu time spent up to now is 23.7 secs Computing kpt #: 143 total cpu time spent up to now is 23.9 secs Computing kpt #: 144 total cpu time spent up to now is 24.0 secs Computing kpt #: 145 total cpu time spent up to now is 24.2 secs Computing kpt #: 146 total cpu time spent up to now is 24.3 secs Computing kpt #: 147 total cpu time spent up to now is 24.5 secs Computing kpt #: 148 total cpu time spent up to now is 24.6 secs Computing kpt #: 149 total cpu time spent up to now is 24.8 secs Computing kpt #: 150 total cpu time spent up to now is 25.0 secs Computing kpt #: 151 total cpu time spent up to now is 25.1 secs Computing kpt #: 152 total cpu time spent up to now is 25.3 secs Computing kpt #: 153 total cpu time spent up to now is 25.5 secs Computing kpt #: 154 total cpu time spent up 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total cpu time spent up to now is 30.6 secs Computing kpt #: 186 total cpu time spent up to now is 30.7 secs Computing kpt #: 187 total cpu time spent up to now is 30.9 secs Computing kpt #: 188 total cpu time spent up to now is 31.1 secs Computing kpt #: 189 total cpu time spent up to now is 31.2 secs Computing kpt #: 190 total cpu time spent up to now is 31.4 secs Computing kpt #: 191 total cpu time spent up to now is 31.6 secs Computing kpt #: 192 total cpu time spent up to now is 31.8 secs Computing kpt #: 193 total cpu time spent up to now is 31.9 secs Computing kpt #: 194 total cpu time spent up to now is 32.1 secs Computing kpt #: 195 total cpu time spent up to now is 32.2 secs Computing kpt #: 196 total cpu time spent up to now is 32.4 secs Computing kpt #: 197 total cpu time spent up to now is 32.5 secs Computing kpt #: 198 total cpu time spent up to now is 32.6 secs Computing kpt #: 199 total cpu time spent up to now is 32.8 secs Computing kpt #: 200 total cpu time spent up 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Computing kpt #: 216 total cpu time spent up to now is 35.2 secs Computing kpt #: 217 total cpu time spent up to now is 35.3 secs Computing kpt #: 218 total cpu time spent up to now is 35.5 secs Computing kpt #: 219 total cpu time spent up to now is 35.6 secs Computing kpt #: 220 total cpu time spent up to now is 35.7 secs Computing kpt #: 221 total cpu time spent up to now is 35.9 secs Computing kpt #: 222 total cpu time spent up to now is 36.0 secs Computing kpt #: 223 total cpu time spent up to now is 36.2 secs Computing kpt #: 224 total cpu time spent up to now is 36.3 secs Computing kpt #: 225 total cpu time spent up to now is 36.4 secs Computing kpt #: 226 total cpu time spent up to now is 36.6 secs Computing kpt #: 227 total cpu time spent up to now is 36.7 secs Computing kpt #: 228 total cpu time spent up to now is 36.8 secs Computing kpt #: 229 total cpu time spent up to now is 37.0 secs Computing kpt #: 230 total cpu time spent up to now is 37.1 secs Computing kpt #: 231 total cpu time spent up to now is 37.3 secs Computing kpt #: 232 total cpu time spent up to now is 37.4 secs Computing kpt #: 233 total cpu time spent up to now is 37.5 secs Computing kpt #: 234 total cpu time spent up to now is 37.7 secs Computing kpt #: 235 total cpu time spent up to now is 37.8 secs Computing kpt #: 236 total cpu time spent up to now is 38.0 secs Computing kpt #: 237 total cpu time spent up to now is 38.1 secs Computing kpt #: 238 total cpu time spent up to now is 38.2 secs Computing kpt #: 239 total cpu time spent up to now is 38.4 secs Computing kpt #: 240 total cpu time spent up to now is 38.5 secs Computing kpt #: 241 total cpu time spent up to now is 38.7 secs Computing kpt #: 242 total cpu time spent up to now is 38.8 secs Computing kpt #: 243 total cpu time spent up to now is 39.0 secs Computing kpt #: 244 total cpu time spent up to now is 39.1 secs Computing kpt #: 245 total cpu time spent up to now is 39.3 secs Computing kpt #: 246 total cpu time spent up to now is 39.4 secs Computing kpt #: 247 total cpu time spent up to now is 39.6 secs Computing kpt #: 248 total cpu time spent up to now is 39.8 secs Computing kpt #: 249 total cpu time spent up to now is 39.9 secs Computing kpt #: 250 total cpu time spent up to now is 40.1 secs Computing kpt #: 251 total cpu time spent up to now is 40.2 secs Computing kpt #: 252 total cpu time spent up to now is 40.4 secs Computing kpt #: 253 total cpu time spent up to now is 40.5 secs Computing kpt #: 254 total cpu time spent up to now is 40.7 secs Computing kpt #: 255 total cpu time spent up to now is 40.8 secs Computing kpt #: 256 total cpu time spent up to now is 41.0 secs Computing kpt #: 257 total cpu time spent up to now is 41.1 secs Computing kpt #: 258 total cpu time spent up to now is 41.3 secs Computing kpt #: 259 total cpu time spent up to now is 41.4 secs Computing kpt #: 260 total cpu time spent up to now is 41.6 secs Computing kpt #: 261 total cpu time spent up to now is 41.8 secs Computing kpt #: 262 total cpu time spent up to now is 41.9 secs Computing kpt #: 263 total cpu time spent up to now is 42.1 secs Computing kpt #: 264 total cpu time spent up to now is 42.2 secs Computing kpt #: 265 total cpu time spent up to now is 42.4 secs Computing kpt #: 266 total cpu time spent up to now is 42.5 secs Computing kpt #: 267 total cpu time spent up to now is 42.7 secs Computing kpt #: 268 total cpu time spent up to now is 42.8 secs Computing kpt #: 269 total cpu time spent up to now is 42.9 secs Computing kpt #: 270 total cpu time spent up to now is 43.1 secs Computing kpt #: 271 total cpu time spent up to now is 43.2 secs Computing kpt #: 272 total cpu time spent up to now is 43.4 secs Computing kpt #: 273 total cpu time spent up to now is 43.5 secs Computing kpt #: 274 total cpu time spent up to now is 43.6 secs Computing kpt #: 275 total cpu time spent up to now is 43.8 secs Computing kpt #: 276 total cpu time spent up to now is 43.9 secs Computing kpt #: 277 total cpu time spent up to now is 44.1 secs Computing kpt #: 278 total cpu time spent up to now is 44.2 secs Computing kpt #: 279 total cpu time spent up to now is 44.3 secs Computing kpt #: 280 total cpu time spent up to now is 44.4 secs Computing kpt #: 281 total cpu time spent up to now is 44.6 secs Computing kpt #: 282 total cpu time spent up to now is 44.7 secs Computing kpt #: 283 total cpu time spent up to now is 44.8 secs Computing kpt #: 284 total cpu time spent up to now is 45.0 secs Computing kpt #: 285 total cpu time spent up to now is 45.1 secs Computing kpt #: 286 total cpu time spent up to now is 45.2 secs Computing kpt #: 287 total cpu time spent up to now is 45.4 secs Computing kpt #: 288 total cpu time spent up to now is 45.5 secs Computing kpt #: 289 total cpu time spent up to now is 45.6 secs Computing kpt #: 290 total cpu time spent up to now is 45.8 secs Computing kpt #: 291 total cpu time spent up to now is 45.9 secs Computing kpt #: 292 total cpu time spent up to now is 46.1 secs Computing kpt #: 293 total cpu time spent up to now is 46.2 secs Computing kpt #: 294 total cpu time spent up to now is 46.4 secs Computing kpt #: 295 total cpu time spent up to now is 46.5 secs Computing kpt #: 296 total cpu time spent up to now is 46.6 secs Computing kpt #: 297 total cpu time spent up to now is 46.8 secs Computing kpt #: 298 total cpu time spent up to now is 46.9 secs Computing kpt #: 299 total cpu time spent up to now is 47.1 secs Computing kpt #: 300 total cpu time spent up to now is 47.2 secs Computing kpt #: 301 total cpu time spent up to now is 47.4 secs Computing kpt #: 302 total cpu time spent up to now is 47.5 secs Computing kpt #: 303 total cpu time spent up to now is 47.7 secs Computing kpt #: 304 total cpu time spent up to now is 47.8 secs Computing kpt #: 305 total cpu time spent up to now is 47.9 secs Computing kpt #: 306 total cpu time spent up to now is 48.1 secs Computing kpt #: 307 total cpu time spent up to now is 48.2 secs Computing kpt #: 308 total cpu time spent up to now is 48.4 secs Computing kpt #: 309 total cpu time spent up to now is 48.5 secs Computing kpt #: 310 total cpu time spent up to now is 48.7 secs Computing kpt #: 311 total cpu time spent up to now is 48.8 secs Computing kpt #: 312 total cpu time spent up to now is 49.0 secs Computing kpt #: 313 total cpu time spent up to now is 49.1 secs Computing kpt #: 314 total cpu time spent up to now is 49.2 secs Computing kpt #: 315 total cpu time spent up to now is 49.4 secs Computing kpt #: 316 total cpu time spent up to now is 49.5 secs Computing kpt #: 317 total cpu time spent up to now is 49.6 secs Computing kpt #: 318 total cpu time spent up to now is 49.8 secs Computing kpt #: 319 total cpu time spent up to now is 49.9 secs Computing kpt #: 320 total cpu time spent up to now is 50.1 secs Computing kpt #: 321 total cpu time spent up to now is 50.2 secs Computing kpt #: 322 total cpu time spent up to now is 50.3 secs Computing kpt #: 323 total cpu time spent up to now is 50.5 secs Computing kpt #: 324 total cpu time spent up to now is 50.6 secs Computing kpt #: 325 total cpu time spent up to now is 50.7 secs Computing kpt #: 326 total cpu time spent up to now is 50.9 secs Computing kpt #: 327 total cpu time spent up to now is 51.0 secs Computing kpt #: 328 total cpu time spent up to now is 51.1 secs Computing kpt #: 329 total cpu time spent up to now is 51.3 secs Computing kpt #: 330 total cpu time spent up to now is 51.4 secs Computing kpt #: 331 total cpu time spent up to now is 51.6 secs Computing kpt #: 332 total cpu time spent up to now is 51.7 secs Computing kpt #: 333 total cpu time spent up to now is 51.8 secs Computing kpt #: 334 total cpu time spent up to now is 52.0 secs Computing kpt #: 335 total cpu time spent up to now is 52.1 secs Computing kpt #: 336 total cpu time spent up to now is 52.3 secs Computing kpt #: 337 total cpu time spent up to now is 52.4 secs Computing kpt #: 338 total cpu time spent up to now is 52.5 secs Computing kpt #: 339 total cpu time spent up to now is 52.7 secs Computing kpt #: 340 total cpu time spent up to now is 52.8 secs Computing kpt #: 341 total cpu time spent up to now is 53.0 secs Computing kpt #: 342 total cpu time spent up to now is 53.1 secs Computing kpt #: 343 total cpu time spent up to now is 53.3 secs Computing kpt #: 344 total cpu time spent up to now is 53.4 secs Computing kpt #: 345 total cpu time spent up to now is 53.6 secs Computing kpt #: 346 total cpu time spent up to now is 53.7 secs Computing kpt #: 347 total cpu time spent up to now is 53.9 secs Computing kpt #: 348 total cpu time spent up to now is 54.0 secs Computing kpt #: 349 total cpu time spent up to now is 54.2 secs Computing kpt #: 350 total cpu time spent up to now is 54.3 secs Computing kpt #: 351 total cpu time spent up to now is 54.5 secs Computing kpt #: 352 total cpu time spent up to now is 54.7 secs Computing kpt #: 353 total cpu time spent up to now is 54.8 secs Computing kpt #: 354 total cpu time spent up to now is 55.0 secs Computing kpt #: 355 total cpu time spent up to now is 55.1 secs Computing kpt #: 356 total cpu time spent up to now is 55.3 secs Computing kpt #: 357 total cpu time spent up to now is 55.4 secs Computing kpt #: 358 total cpu time spent up to now is 55.6 secs Computing kpt #: 359 total cpu time spent up to now is 55.7 secs Computing kpt #: 360 total cpu time spent up to now is 55.9 secs Computing kpt #: 361 total cpu time spent up to now is 56.0 secs Computing kpt #: 362 total cpu time spent up to now is 56.2 secs Computing kpt #: 363 total cpu time spent up to now is 56.3 secs Computing kpt #: 364 total cpu time spent up to now is 56.5 secs Computing kpt #: 365 total cpu time spent up to now is 56.7 secs Computing kpt #: 366 total cpu time spent up to now is 56.8 secs Computing kpt #: 367 total cpu time spent up to now is 57.0 secs Computing kpt #: 368 total cpu time spent up to now is 57.1 secs Computing kpt #: 369 total cpu time spent up to now is 57.3 secs Computing kpt #: 370 total cpu time spent up to now is 57.5 secs Computing kpt #: 371 total cpu time spent up to now is 57.6 secs Computing kpt #: 372 total cpu time spent up to now is 57.8 secs Computing kpt #: 373 total cpu time spent up to now is 57.9 secs Computing kpt #: 374 total cpu time spent up to now is 58.1 secs Computing kpt #: 375 total cpu time spent up to now is 58.3 secs Computing kpt #: 376 total cpu time spent up to now is 58.4 secs Computing kpt #: 377 total cpu time spent up to now is 58.6 secs Computing kpt #: 378 total cpu time spent up to now is 58.8 secs Computing kpt #: 379 total cpu time spent up to now is 58.9 secs Computing kpt #: 380 total cpu time spent up to now is 59.1 secs Computing kpt #: 381 total cpu time spent up to now is 59.3 secs ethr = 4.17E-08, avg # of iterations = 12.0 total cpu time spent up to now is 59.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -46.8367 -46.8367 -46.7537 -46.7537 -18.9551 -18.9551 -18.7790 -18.7790 -18.7790 -18.7790 -18.7536 -18.7536 -18.5739 -18.5739 -18.5739 -18.5739 -11.4944 -11.4944 3.1227 3.1227 3.1533 3.1533 3.1533 3.1533 5.1219 5.1219 16.0039 16.0039 16.0374 16.0374 16.0374 16.0374 k = 0.0088-0.0051 0.0072 ( 2689 PWs) bands (ev): -46.8367 -46.8367 -46.7537 -46.7537 -18.9551 -18.9551 -18.7790 -18.7790 -18.7790 -18.7790 -18.7537 -18.7537 -18.5741 -18.5741 -18.5739 -18.5739 -11.4942 -11.4942 3.1215 3.1215 3.1513 3.1513 3.1531 3.1531 5.1266 5.1266 15.9984 15.9984 16.0303 16.0303 16.0335 16.0335 k = 0.0175-0.0101 0.0143 ( 2701 PWs) bands (ev): -46.8367 -46.8367 -46.7538 -46.7538 -18.9552 -18.9552 -18.7793 -18.7793 -18.7788 -18.7788 -18.7539 -18.7539 -18.5746 -18.5746 -18.5738 -18.5738 -11.4935 -11.4935 3.1173 3.1173 3.1460 3.1460 3.1525 3.1525 5.1404 5.1404 15.9815 15.9815 16.0100 16.0100 16.0230 16.0230 k = 0.0263-0.0152 0.0215 ( 2701 PWs) bands (ev): -46.8366 -46.8366 -46.7539 -46.7539 -18.9550 -18.9550 -18.7795 -18.7795 -18.7782 -18.7782 -18.7543 -18.7543 -18.5755 -18.5755 -18.5737 -18.5737 -11.4925 -11.4925 3.1078 3.1078 3.1399 3.1399 3.1516 3.1516 5.1632 5.1632 15.9531 15.9531 15.9783 15.9783 16.0078 16.0078 k = 0.0351-0.0203 0.0286 ( 2709 PWs) bands (ev): -46.8364 -46.8364 -46.7541 -46.7541 -18.9548 -18.9548 -18.7799 -18.7799 -18.7774 -18.7774 -18.7548 -18.7548 -18.5767 -18.5767 -18.5735 -18.5735 -11.4909 -11.4909 3.0916 3.0916 3.1351 3.1351 3.1502 3.1502 5.1944 5.1944 15.9154 15.9154 15.9381 15.9381 15.9886 15.9886 k = 0.0439-0.0253 0.0358 ( 2709 PWs) bands (ev): -46.8362 -46.8362 -46.7543 -46.7543 -18.9545 -18.9545 -18.7803 -18.7803 -18.7763 -18.7763 -18.7555 -18.7555 -18.5782 -18.5782 -18.5733 -18.5733 -11.4890 -11.4890 3.0691 3.0691 3.1315 3.1315 3.1484 3.1484 5.2335 5.2335 15.8709 15.8709 15.8916 15.8916 15.9651 15.9651 k = 0.0526-0.0304 0.0430 ( 2709 PWs) bands (ev): -46.8360 -46.8360 -46.7545 -46.7545 -18.9541 -18.9541 -18.7807 -18.7807 -18.7750 -18.7750 -18.7564 -18.7564 -18.5800 -18.5800 -18.5731 -18.5731 -11.4866 -11.4866 3.0416 3.0416 3.1283 3.1283 3.1463 3.1463 5.2799 5.2799 15.8219 15.8219 15.8412 15.8412 15.9373 15.9373 k = 0.0614-0.0355 0.0501 ( 2701 PWs) bands (ev): -46.8356 -46.8356 -46.7547 -46.7547 -18.9537 -18.9537 -18.7812 -18.7812 -18.7735 -18.7735 -18.7573 -18.7573 -18.5820 -18.5820 -18.5728 -18.5728 -11.4838 -11.4838 3.0103 3.0103 3.1253 3.1253 3.1438 3.1438 5.3328 5.3328 15.7703 15.7703 15.7883 15.7883 15.9052 15.9052 k = 0.0702-0.0405 0.0573 ( 2701 PWs) bands (ev): -46.8353 -46.8353 -46.7550 -46.7550 -18.9533 -18.9533 -18.7818 -18.7818 -18.7717 -18.7717 -18.7586 -18.7586 -18.5844 -18.5844 -18.5724 -18.5724 -11.4806 -11.4806 2.9759 2.9759 3.1221 3.1221 3.1410 3.1410 5.3918 5.3918 15.7172 15.7172 15.7342 15.7342 15.8689 15.8689 k = 0.0789-0.0456 0.0645 ( 2701 PWs) bands (ev): -46.8350 -46.8350 -46.7554 -46.7554 -18.9528 -18.9528 -18.7825 -18.7825 -18.7696 -18.7696 -18.7601 -18.7601 -18.5870 -18.5870 -18.5721 -18.5721 -11.4770 -11.4770 2.9390 2.9390 3.1187 3.1187 3.1378 3.1378 5.4560 5.4560 15.6637 15.6637 15.6797 15.6797 15.7009 15.7009 k = 0.0877-0.0506 0.0716 ( 2701 PWs) bands (ev): -46.8346 -46.8346 -46.7557 -46.7557 -18.9523 -18.9523 -18.7832 -18.7832 -18.7673 -18.7673 -18.7618 -18.7618 -18.5898 -18.5898 -18.5717 -18.5717 -11.4731 -11.4731 2.9004 2.9004 3.1151 3.1151 3.1342 3.1342 5.5249 5.5249 15.5244 15.5244 15.6104 15.6104 15.6258 15.6258 k = 0.0965-0.0557 0.0788 ( 2701 PWs) bands (ev): -46.8341 -46.8341 -46.7561 -46.7561 -18.9518 -18.9518 -18.7840 -18.7840 -18.7647 -18.7647 -18.7637 -18.7637 -18.5928 -18.5928 -18.5712 -18.5712 -11.4687 -11.4687 2.8604 2.8604 3.1111 3.1111 3.1303 3.1303 5.5980 5.5980 15.3484 15.3484 15.5578 15.5578 15.5726 15.5726 k = 0.1053-0.0608 0.0859 ( 2701 PWs) bands (ev): -46.8336 -46.8336 -46.7565 -46.7565 -18.9514 -18.9514 -18.7849 -18.7849 -18.7659 -18.7659 -18.7618 -18.7618 -18.5959 -18.5959 -18.5707 -18.5707 -11.4641 -11.4641 2.8196 2.8196 3.1070 3.1070 3.1262 3.1262 5.6747 5.6747 15.1730 15.1730 15.5062 15.5062 15.5204 15.5204 k = 0.1140-0.0658 0.0931 ( 2693 PWs) bands (ev): -46.8331 -46.8331 -46.7570 -46.7570 -18.9509 -18.9509 -18.7858 -18.7858 -18.7683 -18.7683 -18.7587 -18.7587 -18.5990 -18.5990 -18.5701 -18.5701 -11.4590 -11.4590 2.7783 2.7783 3.1025 3.1025 3.1217 3.1217 5.7545 5.7545 14.9987 14.9987 15.4559 15.4559 15.4697 15.4697 k = 0.1228-0.0709 0.1003 ( 2693 PWs) bands (ev): -46.8326 -46.8326 -46.7575 -46.7575 -18.9505 -18.9505 -18.7868 -18.7868 -18.7711 -18.7711 -18.7553 -18.7553 -18.6023 -18.6023 -18.5695 -18.5695 -11.4537 -11.4537 2.7368 2.7368 3.0978 3.0978 3.1169 3.1169 5.8370 5.8370 14.8259 14.8259 15.4071 15.4071 15.4205 15.4205 k = 0.1316-0.0760 0.1074 ( 2693 PWs) bands (ev): -46.8320 -46.8320 -46.7580 -46.7580 -18.9501 -18.9501 -18.7879 -18.7879 -18.7743 -18.7743 -18.7516 -18.7516 -18.6056 -18.6056 -18.5689 -18.5689 -11.4481 -11.4481 2.6955 2.6955 3.0928 3.0928 3.1119 3.1119 5.9218 5.9218 14.6552 14.6552 15.3600 15.3600 15.3729 15.3729 k = 0.1404-0.0810 0.1146 ( 2689 PWs) bands (ev): -46.8314 -46.8314 -46.7585 -46.7585 -18.9498 -18.9498 -18.7890 -18.7890 -18.7777 -18.7777 -18.7477 -18.7477 -18.6088 -18.6088 -18.5683 -18.5683 -11.4422 -11.4422 2.6545 2.6545 3.0876 3.0876 3.1066 3.1066 6.0085 6.0085 14.4867 14.4867 15.3145 15.3145 15.3271 15.3271 k = 0.1491-0.0861 0.1218 ( 2681 PWs) bands (ev): -46.8307 -46.8307 -46.7591 -46.7591 -18.9494 -18.9494 -18.7902 -18.7902 -18.7814 -18.7814 -18.7433 -18.7433 -18.6120 -18.6120 -18.5676 -18.5676 -11.4360 -11.4360 2.6142 2.6142 3.0822 3.0822 3.1011 3.1011 6.0968 6.0968 14.3210 14.3210 15.2707 15.2707 15.2832 15.2832 k = 0.1579-0.0912 0.1289 ( 2681 PWs) bands (ev): -46.8301 -46.8301 -46.7597 -46.7597 -18.9492 -18.9492 -18.7915 -18.7915 -18.7856 -18.7856 -18.7388 -18.7388 -18.6151 -18.6151 -18.5670 -18.5670 -11.4296 -11.4296 2.5746 2.5746 3.0766 3.0766 3.0954 3.0954 6.1862 6.1862 14.1583 14.1583 15.2288 15.2288 15.2411 15.2411 k = 0.1667-0.0962 0.1361 ( 2681 PWs) bands (ev): -46.8294 -46.8294 -46.7603 -46.7603 -18.9491 -18.9491 -18.7930 -18.7930 -18.7897 -18.7897 -18.7344 -18.7344 -18.6180 -18.6180 -18.5662 -18.5662 -11.4230 -11.4230 2.5359 2.5359 3.0708 3.0708 3.0894 3.0894 6.2765 6.2765 13.9989 13.9989 15.1885 15.1885 15.2008 15.2008 k = 0.1754-0.1013 0.1432 ( 2678 PWs) bands (ev): -46.8287 -46.8287 -46.7609 -46.7609 -18.9490 -18.9490 -18.7960 -18.7960 -18.7929 -18.7929 -18.7293 -18.7293 -18.6210 -18.6210 -18.5655 -18.5655 -11.4162 -11.4162 2.4983 2.4983 3.0648 3.0648 3.0833 3.0833 6.3674 6.3674 13.8432 13.8432 15.1495 15.1495 15.1624 15.1624 k = 0.1842-0.1064 0.1504 ( 2678 PWs) bands (ev): -46.8279 -46.8279 -46.7616 -46.7616 -18.9490 -18.9490 -18.8009 -18.8009 -18.7947 -18.7947 -18.7242 -18.7242 -18.6237 -18.6237 -18.5648 -18.5648 -11.4092 -11.4092 2.4618 2.4618 3.0586 3.0586 3.0771 3.0771 6.4584 6.4584 13.6916 13.6916 15.1100 15.1100 15.1258 15.1258 k = 0.1930-0.1114 0.1576 ( 2686 PWs) bands (ev): -46.8272 -46.8272 -46.7623 -46.7623 -18.9491 -18.9491 -18.8065 -18.8065 -18.7962 -18.7962 -18.7190 -18.7190 -18.6262 -18.6262 -18.5640 -18.5640 -11.4020 -11.4020 2.4265 2.4265 3.0523 3.0523 3.0706 3.0706 6.5493 6.5493 13.5442 13.5442 15.0563 15.0563 15.0848 15.0848 k = 0.2018-0.1165 0.1647 ( 2694 PWs) bands (ev): -46.8265 -46.8265 -46.7630 -46.7630 -18.9493 -18.9493 -18.8126 -18.8126 -18.7976 -18.7976 -18.7135 -18.7135 -18.6286 -18.6286 -18.5633 -18.5633 -11.3948 -11.3948 2.3925 2.3925 3.0459 3.0459 3.0641 3.0641 6.6398 6.6398 13.4015 13.4015 14.9901 14.9901 15.0499 15.0499 k = 0.2105-0.1215 0.1719 ( 2682 PWs) bands (ev): -46.8257 -46.8257 -46.7636 -46.7636 -18.9494 -18.9494 -18.8188 -18.8188 -18.7990 -18.7990 -18.7077 -18.7077 -18.6306 -18.6306 -18.5624 -18.5624 -11.3874 -11.3874 2.3599 2.3599 3.0395 3.0395 3.0575 3.0575 6.7295 6.7295 13.2637 13.2637 14.9221 14.9221 15.0183 15.0183 k = 0.2193-0.1266 0.1791 ( 2678 PWs) bands (ev): -46.8249 -46.8249 -46.7644 -46.7644 -18.9497 -18.9497 -18.8254 -18.8254 -18.8004 -18.8004 -18.7018 -18.7018 -18.6325 -18.6325 -18.5616 -18.5616 -11.3799 -11.3799 2.3287 2.3287 3.0329 3.0329 3.0508 3.0508 6.8181 6.8181 13.1312 13.1312 14.8539 14.8539 14.9888 14.9888 k = 0.2281-0.1317 0.1862 ( 2678 PWs) bands (ev): -46.8241 -46.8241 -46.7651 -46.7651 -18.9501 -18.9501 -18.8323 -18.8323 -18.8019 -18.8019 -18.6959 -18.6959 -18.6343 -18.6343 -18.5608 -18.5608 -11.3724 -11.3724 2.2989 2.2989 3.0263 3.0263 3.0440 3.0440 6.9052 6.9052 13.0042 13.0042 14.7858 14.7858 14.9611 14.9611 k = 0.2368-0.1367 0.1934 ( 2678 PWs) bands (ev): -46.8233 -46.8233 -46.7658 -46.7658 -18.9505 -18.9505 -18.8394 -18.8394 -18.8033 -18.8033 -18.6898 -18.6898 -18.6359 -18.6359 -18.5599 -18.5599 -11.3649 -11.3649 2.2706 2.2706 3.0197 3.0197 3.0372 3.0372 6.9904 6.9904 12.8832 12.8832 14.7182 14.7182 14.9351 14.9351 k = 0.2456-0.1418 0.2005 ( 2682 PWs) bands (ev): -46.8225 -46.8225 -46.7665 -46.7665 -18.9510 -18.9510 -18.8469 -18.8469 -18.8047 -18.8047 -18.6836 -18.6836 -18.6373 -18.6373 -18.5591 -18.5591 -11.3573 -11.3573 2.2437 2.2437 3.0130 3.0130 3.0304 3.0304 7.0734 7.0734 12.7684 12.7684 14.6511 14.6511 14.9107 14.9107 k = 0.2544-0.1469 0.2077 ( 2682 PWs) bands (ev): -46.8217 -46.8217 -46.7672 -46.7672 -18.9515 -18.9515 -18.8544 -18.8544 -18.8062 -18.8062 -18.6773 -18.6773 -18.6385 -18.6385 -18.5583 -18.5583 -11.3498 -11.3498 2.2184 2.2184 3.0063 3.0063 3.0236 3.0236 7.1539 7.1539 12.6602 12.6602 14.5849 14.5849 14.8878 14.8878 k = 0.2632-0.1519 0.2149 ( 2682 PWs) bands (ev): -46.8209 -46.8209 -46.7679 -46.7679 -18.9520 -18.9520 -18.8620 -18.8620 -18.8076 -18.8076 -18.6711 -18.6711 -18.6395 -18.6395 -18.5575 -18.5575 -11.3423 -11.3423 2.1945 2.1945 2.9997 2.9997 3.0169 3.0169 7.2314 7.2314 12.5589 12.5589 14.5197 14.5197 14.8665 14.8665 k = 0.2719-0.1570 0.2220 ( 2662 PWs) bands (ev): -46.8201 -46.8201 -46.7686 -46.7686 -18.9524 -18.9524 -18.8697 -18.8697 -18.8089 -18.8089 -18.6646 -18.6646 -18.6404 -18.6404 -18.5566 -18.5566 -11.3348 -11.3348 2.1720 2.1720 2.9932 2.9932 3.0102 3.0102 7.3056 7.3056 12.4647 12.4647 14.4557 14.4557 14.8466 14.8466 k = 0.2807-0.1621 0.2292 ( 2662 PWs) bands (ev): -46.8193 -46.8193 -46.7693 -46.7693 -18.9531 -18.9531 -18.8774 -18.8774 -18.8103 -18.8103 -18.6582 -18.6582 -18.6412 -18.6412 -18.5558 -18.5558 -11.3275 -11.3275 2.1510 2.1510 2.9867 2.9867 3.0035 3.0035 7.3761 7.3761 12.3780 12.3780 14.3929 14.3929 14.8281 14.8281 k = 0.2895-0.1671 0.2364 ( 2662 PWs) bands (ev): -46.8185 -46.8185 -46.7700 -46.7700 -18.9538 -18.9538 -18.8852 -18.8852 -18.8117 -18.8117 -18.6519 -18.6519 -18.6418 -18.6418 -18.5550 -18.5550 -11.3202 -11.3202 2.1315 2.1315 2.9803 2.9803 2.9970 2.9970 7.4426 7.4426 12.2990 12.2990 14.3316 14.3316 14.8109 14.8109 k = 0.2982-0.1722 0.2435 ( 2650 PWs) bands (ev): -46.8177 -46.8177 -46.7707 -46.7707 -18.9545 -18.9545 -18.8929 -18.8929 -18.8131 -18.8131 -18.6456 -18.6456 -18.6423 -18.6423 -18.5541 -18.5541 -11.3130 -11.3130 2.1133 2.1133 2.9740 2.9740 2.9905 2.9905 7.5047 7.5047 12.2279 12.2279 14.2718 14.2718 14.7950 14.7950 k = 0.3070-0.1773 0.2507 ( 2650 PWs) bands (ev): -46.8169 -46.8169 -46.7714 -46.7714 -18.9552 -18.9552 -18.9006 -18.9006 -18.8144 -18.8144 -18.6427 -18.6427 -18.6394 -18.6394 -18.5533 -18.5533 -11.3060 -11.3060 2.0965 2.0965 2.9678 2.9678 2.9842 2.9842 7.5623 7.5623 12.1649 12.1649 14.2138 14.2138 14.7803 14.7803 k = 0.3158-0.1823 0.2578 ( 2658 PWs) bands (ev): -46.8162 -46.8162 -46.7721 -46.7721 -18.9560 -18.9560 -18.9082 -18.9082 -18.8159 -18.8159 -18.6431 -18.6431 -18.6334 -18.6334 -18.5525 -18.5525 -11.2992 -11.2992 2.0809 2.0809 2.9617 2.9617 2.9780 2.9780 7.6150 7.6150 12.1100 12.1100 14.1575 14.1575 14.7667 14.7667 k = 0.3246-0.1874 0.2650 ( 2670 PWs) bands (ev): -46.8154 -46.8154 -46.7728 -46.7728 -18.9568 -18.9568 -18.9158 -18.9158 -18.8172 -18.8172 -18.6434 -18.6434 -18.6277 -18.6277 -18.5518 -18.5518 -11.2925 -11.2925 2.0666 2.0666 2.9558 2.9558 2.9720 2.9720 7.6627 7.6627 12.0633 12.0633 14.1032 14.1032 14.7542 14.7542 k = 0.3333-0.1925 0.2722 ( 2670 PWs) bands (ev): -46.8147 -46.8147 -46.7734 -46.7734 -18.9575 -18.9575 -18.9232 -18.9232 -18.8185 -18.8185 -18.6436 -18.6436 -18.6218 -18.6218 -18.5510 -18.5510 -11.2861 -11.2861 2.0535 2.0535 2.9501 2.9501 2.9661 2.9661 7.7053 7.7053 12.0247 12.0247 14.0509 14.0509 14.7427 14.7427 k = 0.3421-0.1975 0.2793 ( 2670 PWs) bands (ev): -46.8141 -46.8141 -46.7740 -46.7740 -18.9583 -18.9583 -18.9303 -18.9303 -18.8197 -18.8197 -18.6438 -18.6438 -18.6162 -18.6162 -18.5503 -18.5503 -11.2798 -11.2798 2.0416 2.0416 2.9445 2.9445 2.9604 2.9604 7.7428 7.7428 11.9940 11.9940 14.0007 14.0007 14.7322 14.7322 k = 0.3509-0.2026 0.2865 ( 2670 PWs) bands (ev): -46.8134 -46.8134 -46.7746 -46.7746 -18.9589 -18.9589 -18.9374 -18.9374 -18.8208 -18.8208 -18.6440 -18.6440 -18.6104 -18.6104 -18.5498 -18.5498 -11.2738 -11.2738 2.0309 2.0309 2.9392 2.9392 2.9550 2.9550 7.7752 7.7752 11.9710 11.9710 13.9528 13.9528 14.7227 14.7227 k = 0.3596-0.2076 0.2937 ( 2666 PWs) bands (ev): -46.8128 -46.8128 -46.7751 -46.7751 -18.9596 -18.9596 -18.9439 -18.9439 -18.8220 -18.8220 -18.6441 -18.6441 -18.6051 -18.6051 -18.5491 -18.5491 -11.2681 -11.2681 2.0212 2.0212 2.9341 2.9341 2.9498 2.9498 7.8028 7.8028 11.9551 11.9551 13.9071 13.9071 14.7140 14.7140 k = 0.3684-0.2127 0.3008 ( 2666 PWs) bands (ev): -46.8122 -46.8122 -46.7757 -46.7757 -18.9603 -18.9603 -18.9503 -18.9503 -18.8230 -18.8230 -18.6441 -18.6441 -18.6000 -18.6000 -18.5485 -18.5485 -11.2626 -11.2626 2.0125 2.0125 2.9292 2.9292 2.9448 2.9448 7.8258 7.8258 11.9460 11.9460 13.8638 13.8638 14.7061 14.7061 k = 0.3772-0.2178 0.3080 ( 2666 PWs) bands (ev): -46.8116 -46.8116 -46.7762 -46.7762 -18.9610 -18.9610 -18.9564 -18.9564 -18.8241 -18.8241 -18.6441 -18.6441 -18.5952 -18.5952 -18.5479 -18.5479 -11.2574 -11.2574 2.0047 2.0047 2.9246 2.9246 2.9401 2.9401 7.8444 7.8444 11.9431 11.9431 13.8230 13.8230 14.6990 14.6990 k = 0.3860-0.2228 0.3151 ( 2666 PWs) bands (ev): -46.8110 -46.8110 -46.7767 -46.7767 -18.9621 -18.9621 -18.9617 -18.9617 -18.8251 -18.8251 -18.6440 -18.6440 -18.5907 -18.5907 -18.5472 -18.5472 -11.2525 -11.2525 1.9977 1.9977 2.9203 2.9203 2.9356 2.9356 7.8590 7.8590 11.9455 11.9455 13.7847 13.7847 14.6927 14.6927 k = 0.3947-0.2279 0.3223 ( 2666 PWs) bands (ev): -46.8105 -46.8105 -46.7772 -46.7772 -18.9675 -18.9675 -18.9623 -18.9623 -18.8260 -18.8260 -18.6439 -18.6439 -18.5864 -18.5864 -18.5467 -18.5467 -11.2479 -11.2479 1.9916 1.9916 2.9162 2.9162 2.9315 2.9315 7.8702 7.8702 11.9527 11.9527 13.7490 13.7490 14.6870 14.6870 k = 0.4035-0.2330 0.3295 ( 2666 PWs) bands (ev): -46.8100 -46.8100 -46.7776 -46.7776 -18.9726 -18.9726 -18.9629 -18.9629 -18.8269 -18.8269 -18.6439 -18.6439 -18.5824 -18.5824 -18.5462 -18.5462 -11.2436 -11.2436 1.9863 1.9863 2.9124 2.9124 2.9276 2.9276 7.8782 7.8782 11.9637 11.9637 13.7159 13.7159 14.6819 14.6819 k = 0.4123-0.2380 0.3366 ( 2666 PWs) bands (ev): -46.8096 -46.8096 -46.7780 -46.7780 -18.9773 -18.9773 -18.9634 -18.9634 -18.8276 -18.8276 -18.6438 -18.6438 -18.5787 -18.5787 -18.5457 -18.5457 -11.2397 -11.2397 1.9817 1.9817 2.9089 2.9089 2.9240 2.9240 7.8835 7.8835 11.9777 11.9777 13.6856 13.6856 14.6774 14.6774 k = 0.4211-0.2431 0.3438 ( 2666 PWs) bands (ev): -46.8092 -46.8092 -46.7783 -46.7783 -18.9816 -18.9816 -18.9639 -18.9639 -18.8283 -18.8283 -18.6439 -18.6439 -18.5751 -18.5751 -18.5455 -18.5455 -11.2361 -11.2361 1.9777 1.9777 2.9057 2.9057 2.9207 2.9207 7.8867 7.8867 11.9938 11.9938 13.6580 13.6580 14.6734 14.6734 k = 0.4298-0.2482 0.3510 ( 2666 PWs) bands (ev): -46.8088 -46.8088 -46.7786 -46.7786 -18.9855 -18.9855 -18.9643 -18.9643 -18.8289 -18.8289 -18.6438 -18.6438 -18.5720 -18.5720 -18.5451 -18.5451 -11.2329 -11.2329 1.9742 1.9742 2.9028 2.9028 2.9178 2.9178 7.8882 7.8882 12.0111 12.0111 13.6331 13.6331 14.6700 14.6700 k = 0.4386-0.2532 0.3581 ( 2666 PWs) bands (ev): -46.8085 -46.8085 -46.7789 -46.7789 -18.9889 -18.9889 -18.9647 -18.9647 -18.8295 -18.8295 -18.6437 -18.6437 -18.5693 -18.5693 -18.5448 -18.5448 -11.2300 -11.2300 1.9713 1.9713 2.9002 2.9002 2.9152 2.9152 7.8884 7.8884 12.0288 12.0288 13.6112 13.6112 14.6671 14.6671 k = 0.4474-0.2583 0.3653 ( 2666 PWs) bands (ev): -46.8082 -46.8082 -46.7792 -46.7792 -18.9919 -18.9919 -18.9651 -18.9651 -18.8300 -18.8300 -18.6437 -18.6437 -18.5669 -18.5669 -18.5445 -18.5445 -11.2275 -11.2275 1.9690 1.9690 2.8980 2.8980 2.9129 2.9129 7.8878 7.8878 12.0461 12.0461 13.5920 13.5920 14.6646 14.6646 k = 0.4561-0.2634 0.3724 ( 2666 PWs) bands (ev): -46.8080 -46.8080 -46.7794 -46.7794 -18.9943 -18.9943 -18.9654 -18.9654 -18.8304 -18.8304 -18.6437 -18.6437 -18.5648 -18.5648 -18.5443 -18.5443 -11.2254 -11.2254 1.9670 1.9670 2.8961 2.8961 2.9109 2.9109 7.8866 7.8866 12.0622 12.0622 13.5758 13.5758 14.6625 14.6625 k = 0.4649-0.2684 0.3796 ( 2686 PWs) bands (ev): -46.8078 -46.8078 -46.7796 -46.7796 -18.9965 -18.9965 -18.9659 -18.9659 -18.8311 -18.8311 -18.6437 -18.6437 -18.5632 -18.5632 -18.5442 -18.5442 -11.2236 -11.2236 1.9654 1.9654 2.8945 2.8945 2.9093 2.9093 7.8852 7.8852 12.0763 12.0763 13.5625 13.5625 14.6608 14.6608 k = 0.4737-0.2735 0.3868 ( 2690 PWs) bands (ev): -46.8077 -46.8077 -46.7798 -46.7798 -18.9983 -18.9983 -18.9661 -18.9661 -18.8313 -18.8313 -18.6437 -18.6437 -18.5619 -18.5619 -18.5440 -18.5440 -11.2222 -11.2222 1.9642 1.9642 2.8933 2.8933 2.9080 2.9080 7.8838 7.8838 12.0880 12.0880 13.5521 13.5521 14.6595 14.6595 k = 0.4825-0.2785 0.3939 ( 2698 PWs) bands (ev): -46.8076 -46.8076 -46.7799 -46.7799 -18.9995 -18.9995 -18.9663 -18.9663 -18.8316 -18.8316 -18.6437 -18.6437 -18.5610 -18.5610 -18.5439 -18.5439 -11.2213 -11.2213 1.9634 1.9634 2.8924 2.8924 2.9071 2.9071 7.8827 7.8827 12.0967 12.0967 13.5446 13.5446 14.6586 14.6586 k = 0.4912-0.2836 0.4011 ( 2698 PWs) bands (ev): -46.8075 -46.8075 -46.7800 -46.7800 -19.0002 -19.0002 -18.9664 -18.9664 -18.8317 -18.8317 -18.6436 -18.6436 -18.5605 -18.5605 -18.5438 -18.5438 -11.2207 -11.2207 1.9629 1.9629 2.8918 2.8918 2.9066 2.9066 7.8819 7.8819 12.1020 12.1020 13.5402 13.5402 14.6581 14.6581 k = 0.5000-0.2887 0.4082 ( 2698 PWs) bands (ev): -46.8075 -46.8075 -46.7800 -46.7800 -19.0004 -19.0004 -18.9664 -18.9664 -18.8318 -18.8318 -18.6436 -18.6436 -18.5603 -18.5603 -18.5438 -18.5438 -11.2205 -11.2205 1.9627 1.9627 2.8917 2.8917 2.9064 2.9064 7.8817 7.8817 12.1038 12.1038 13.5387 13.5387 14.6579 14.6579 k = 0.5000-0.2887 0.4082 ( 2698 PWs) bands (ev): -46.8075 -46.8075 -46.7800 -46.7800 -19.0004 -19.0004 -18.9664 -18.9664 -18.8318 -18.8318 -18.6436 -18.6436 -18.5603 -18.5603 -18.5438 -18.5438 -11.2205 -11.2205 1.9627 1.9627 2.8917 2.8917 2.9064 2.9064 7.8817 7.8817 12.1038 12.1038 13.5387 13.5387 14.6579 14.6579 k = 0.5000-0.2787 0.4153 ( 2698 PWs) bands (ev): -46.8074 -46.8074 -46.7800 -46.7800 -19.0004 -19.0004 -18.9664 -18.9664 -18.8317 -18.8317 -18.6437 -18.6437 -18.5603 -18.5603 -18.5439 -18.5439 -11.2205 -11.2205 1.9634 1.9634 2.8911 2.8911 2.9058 2.9058 7.8835 7.8835 12.1041 12.1041 13.5322 13.5322 14.6515 14.6515 k = 0.5000-0.2688 0.4223 ( 2686 PWs) bands (ev): -46.8074 -46.8074 -46.7800 -46.7800 -19.0003 -19.0003 -18.9659 -18.9659 -18.8313 -18.8313 -18.6440 -18.6440 -18.5602 -18.5602 -18.5442 -18.5442 -11.2205 -11.2205 1.9653 1.9653 2.8894 2.8894 2.9042 2.9042 7.8891 7.8891 12.1048 12.1048 13.5134 13.5134 14.6249 14.6249 k = 0.5000-0.2588 0.4294 ( 2682 PWs) bands (ev): -46.8073 -46.8073 -46.7801 -46.7801 -19.0001 -19.0001 -18.9655 -18.9655 -18.8309 -18.8309 -18.6444 -18.6444 -18.5603 -18.5603 -18.5447 -18.5447 -11.2205 -11.2205 1.9685 1.9685 2.8866 2.8866 2.9016 2.9016 7.8984 7.8984 12.1061 12.1061 13.4839 13.4839 14.5816 14.5816 k = 0.5000-0.2489 0.4364 ( 2682 PWs) bands (ev): -46.8071 -46.8071 -46.7802 -46.7802 -18.9998 -18.9998 -18.9650 -18.9650 -18.8303 -18.8303 -18.6450 -18.6450 -18.5604 -18.5604 -18.5453 -18.5453 -11.2205 -11.2205 1.9730 1.9730 2.8824 2.8824 2.8982 2.8982 7.9113 7.9113 12.1078 12.1078 13.4459 13.4459 14.5238 14.5238 k = 0.5000-0.2389 0.4434 ( 2670 PWs) bands (ev): -46.8069 -46.8069 -46.7804 -46.7804 -18.9993 -18.9993 -18.9643 -18.9643 -18.8296 -18.8296 -18.6457 -18.6457 -18.5605 -18.5605 -18.5460 -18.5460 -11.2205 -11.2205 1.9788 1.9788 2.8768 2.8768 2.8941 2.8941 7.9277 7.9277 12.1101 12.1101 13.4016 13.4016 14.4540 14.4540 k = 0.5000-0.2289 0.4505 ( 2674 PWs) bands (ev): -46.8067 -46.8067 -46.7806 -46.7806 -18.9989 -18.9989 -18.9635 -18.9635 -18.8288 -18.8288 -18.6468 -18.6468 -18.5607 -18.5607 -18.5471 -18.5471 -11.2204 -11.2204 1.9858 1.9858 2.8696 2.8696 2.8895 2.8895 7.9475 7.9475 12.1129 12.1129 13.3529 13.3529 14.3746 14.3746 k = 0.5000-0.2190 0.4575 ( 2676 PWs) bands (ev): -46.8065 -46.8065 -46.7809 -46.7809 -18.9984 -18.9984 -18.9627 -18.9627 -18.8277 -18.8277 -18.6481 -18.6481 -18.5609 -18.5609 -18.5482 -18.5482 -11.2204 -11.2204 1.9940 1.9940 2.8610 2.8610 2.8845 2.8845 7.9705 7.9705 12.1163 12.1163 13.3014 13.3014 14.2875 14.2875 k = 0.5000-0.2090 0.4646 ( 2676 PWs) bands (ev): -46.8062 -46.8062 -46.7812 -46.7812 -18.9978 -18.9978 -18.9617 -18.9617 -18.8265 -18.8265 -18.6496 -18.6496 -18.5611 -18.5611 -18.5495 -18.5495 -11.2204 -11.2204 2.0034 2.0034 2.8508 2.8508 2.8791 2.8791 7.9966 7.9966 12.1202 12.1202 13.2482 13.2482 14.1947 14.1947 k = 0.5000-0.1991 0.4716 ( 2680 PWs) bands (ev): -46.8059 -46.8059 -46.7815 -46.7815 -18.9973 -18.9973 -18.9607 -18.9607 -18.8250 -18.8250 -18.6513 -18.6513 -18.5613 -18.5613 -18.5508 -18.5508 -11.2204 -11.2204 2.0140 2.0140 2.8393 2.8393 2.8733 2.8733 8.0256 8.0256 12.1247 12.1247 13.1944 13.1944 14.0979 14.0979 k = 0.5000-0.1891 0.4786 ( 2680 PWs) bands (ev): -46.8055 -46.8055 -46.7819 -46.7819 -18.9966 -18.9966 -18.9596 -18.9596 -18.8233 -18.8233 -18.6533 -18.6533 -18.5616 -18.5616 -18.5522 -18.5522 -11.2204 -11.2204 2.0258 2.0258 2.8263 2.8263 2.8673 2.8673 8.0571 8.0571 12.1298 12.1298 13.1406 13.1406 13.9983 13.9983 k = 0.5000-0.1792 0.4857 ( 2680 PWs) bands (ev): -46.8051 -46.8051 -46.7823 -46.7823 -18.9958 -18.9958 -18.9585 -18.9585 -18.8213 -18.8213 -18.6555 -18.6555 -18.5619 -18.5619 -18.5536 -18.5536 -11.2204 -11.2204 2.0387 2.0387 2.8121 2.8121 2.8611 2.8611 8.0910 8.0910 12.1355 12.1355 13.0873 13.0873 13.8972 13.8972 k = 0.5000-0.1692 0.4927 ( 2678 PWs) bands (ev): -46.8047 -46.8047 -46.7827 -46.7827 -18.9950 -18.9950 -18.9575 -18.9575 -18.8191 -18.8191 -18.6580 -18.6580 -18.5622 -18.5622 -18.5550 -18.5550 -11.2204 -11.2204 2.0528 2.0528 2.7967 2.7967 2.8546 2.8546 8.1269 8.1269 12.1418 12.1418 13.0348 13.0348 13.7955 13.7955 k = 0.5000-0.1593 0.4998 ( 2674 PWs) bands (ev): -46.8042 -46.8042 -46.7832 -46.7832 -18.9941 -18.9941 -18.9564 -18.9564 -18.8165 -18.8165 -18.6609 -18.6609 -18.5625 -18.5625 -18.5564 -18.5564 -11.2203 -11.2203 2.0679 2.0679 2.7801 2.7801 2.8481 2.8481 8.1646 8.1646 12.1489 12.1489 12.9836 12.9836 13.6943 13.6943 k = 0.5000-0.1493 0.5068 ( 2670 PWs) bands (ev): -46.8037 -46.8037 -46.7837 -46.7837 -18.9932 -18.9932 -18.9554 -18.9554 -18.8137 -18.8137 -18.6639 -18.6639 -18.5628 -18.5628 -18.5577 -18.5577 -11.2203 -11.2203 2.0840 2.0840 2.7624 2.7624 2.8416 2.8416 8.2036 8.2036 12.1567 12.1567 12.9337 12.9337 13.5942 13.5942 k = 0.5000-0.1394 0.5138 ( 2666 PWs) bands (ev): -46.8032 -46.8032 -46.7842 -46.7842 -18.9923 -18.9923 -18.9545 -18.9545 -18.8106 -18.8106 -18.6673 -18.6673 -18.5630 -18.5630 -18.5590 -18.5590 -11.2203 -11.2203 2.1011 2.1011 2.7437 2.7437 2.8350 2.8350 8.2435 8.2435 12.1652 12.1652 12.8853 12.8853 13.4961 13.4961 k = 0.5000-0.1294 0.5209 ( 2668 PWs) bands (ev): -46.8026 -46.8026 -46.7848 -46.7848 -18.9914 -18.9914 -18.9536 -18.9536 -18.8072 -18.8072 -18.6711 -18.6711 -18.5634 -18.5634 -18.5602 -18.5602 -11.2203 -11.2203 2.1191 2.1191 2.7241 2.7241 2.8285 2.8285 8.2840 8.2840 12.1745 12.1745 12.8385 12.8385 13.4006 13.4006 k = 0.5000-0.1195 0.5279 ( 2672 PWs) bands (ev): -46.8020 -46.8020 -46.7854 -46.7854 -18.9905 -18.9905 -18.9529 -18.9529 -18.8037 -18.8037 -18.6751 -18.6751 -18.5637 -18.5637 -18.5614 -18.5614 -11.2203 -11.2203 2.1381 2.1381 2.7036 2.7036 2.8222 2.8222 8.3246 8.3246 12.1846 12.1846 12.7934 12.7934 13.3085 13.3085 k = 0.5000-0.1095 0.5349 ( 2668 PWs) bands (ev): -46.8014 -46.8014 -46.7859 -46.7859 -18.9896 -18.9896 -18.9521 -18.9521 -18.7997 -18.7997 -18.6795 -18.6795 -18.5640 -18.5640 -18.5624 -18.5624 -11.2203 -11.2203 2.1578 2.1578 2.6823 2.6823 2.8161 2.8161 8.3648 8.3648 12.1956 12.1956 12.7500 12.7500 13.2204 13.2204 k = 0.5000-0.0995 0.5420 ( 2668 PWs) bands (ev): -46.8008 -46.8008 -46.7866 -46.7866 -18.9887 -18.9887 -18.9516 -18.9516 -18.7954 -18.7954 -18.6841 -18.6841 -18.5644 -18.5644 -18.5633 -18.5633 -11.2203 -11.2203 2.1784 2.1784 2.6602 2.6602 2.8104 2.8104 8.4042 8.4042 12.2075 12.2075 12.7084 12.7084 13.1371 13.1371 k = 0.5000-0.0896 0.5490 ( 2670 PWs) bands (ev): -46.8002 -46.8002 -46.7872 -46.7872 -18.9878 -18.9878 -18.9511 -18.9511 -18.7909 -18.7909 -18.6890 -18.6890 -18.5648 -18.5648 -18.5642 -18.5642 -11.2202 -11.2202 2.1997 2.1997 2.6375 2.6375 2.8049 2.8049 8.4421 8.4421 12.2203 12.2203 12.6686 12.6686 13.0590 13.0590 k = 0.5000-0.0796 0.5561 ( 2666 PWs) bands (ev): -46.7995 -46.7995 -46.7879 -46.7879 -18.9869 -18.9869 -18.9507 -18.9507 -18.7861 -18.7861 -18.6940 -18.6940 -18.5651 -18.5651 -18.5648 -18.5648 -11.2202 -11.2202 2.2217 2.2217 2.6142 2.6142 2.7999 2.7999 8.4780 8.4780 12.2341 12.2341 12.6305 12.6305 12.9869 12.9869 k = 0.5000-0.0697 0.5631 ( 2668 PWs) bands (ev): -46.7988 -46.7988 -46.7886 -46.7886 -18.9860 -18.9860 -18.9504 -18.9504 -18.7811 -18.7811 -18.6994 -18.6994 -18.5655 -18.5655 -18.5653 -18.5653 -11.2202 -11.2202 2.2443 2.2443 2.5904 2.5904 2.7954 2.7954 8.5114 8.5114 12.2490 12.2490 12.5942 12.5942 12.9215 12.9215 k = 0.5000-0.0597 0.5701 ( 2664 PWs) bands (ev): -46.7981 -46.7981 -46.7893 -46.7893 -18.9853 -18.9853 -18.9502 -18.9502 -18.7758 -18.7758 -18.7050 -18.7050 -18.5659 -18.5659 -18.5657 -18.5657 -11.2202 -11.2202 2.2675 2.2675 2.5662 2.5662 2.7913 2.7913 8.5418 8.5418 12.2649 12.2649 12.5597 12.5597 12.8633 12.8633 k = 0.5000-0.0498 0.5772 ( 2664 PWs) bands (ev): -46.7974 -46.7974 -46.7900 -46.7900 -18.9846 -18.9846 -18.9500 -18.9500 -18.7704 -18.7704 -18.7107 -18.7107 -18.5663 -18.5663 -18.5659 -18.5659 -11.2202 -11.2202 2.2912 2.2912 2.5416 2.5416 2.7878 2.7878 8.5686 8.5686 12.2820 12.2820 12.5268 12.5268 12.8128 12.8128 k = 0.5000-0.0398 0.5842 ( 2668 PWs) bands (ev): -46.7966 -46.7966 -46.7907 -46.7907 -18.9841 -18.9841 -18.9500 -18.9500 -18.7648 -18.7648 -18.7165 -18.7165 -18.5666 -18.5666 -18.5662 -18.5662 -11.2202 -11.2202 2.3153 2.3153 2.5167 2.5167 2.7849 2.7849 8.5912 8.5912 12.3003 12.3003 12.4956 12.4956 12.7708 12.7708 k = 0.5000-0.0299 0.5913 ( 2672 PWs) bands (ev): -46.7959 -46.7959 -46.7915 -46.7915 -18.9836 -18.9836 -18.9499 -18.9499 -18.7591 -18.7591 -18.7225 -18.7225 -18.5668 -18.5668 -18.5664 -18.5664 -11.2202 -11.2202 2.3397 2.3397 2.4917 2.4917 2.7826 2.7826 8.6093 8.6093 12.3198 12.3198 12.4660 12.4660 12.7375 12.7375 k = 0.5000-0.0199 0.5983 ( 2664 PWs) bands (ev): -46.7952 -46.7952 -46.7922 -46.7922 -18.9832 -18.9832 -18.9498 -18.9498 -18.7533 -18.7533 -18.7284 -18.7284 -18.5668 -18.5668 -18.5666 -18.5666 -11.2202 -11.2202 2.3643 2.3643 2.4666 2.4666 2.7810 2.7810 8.6226 8.6226 12.3405 12.3405 12.4381 12.4381 12.7135 12.7135 k = 0.5000-0.0100 0.6053 ( 2656 PWs) bands (ev): -46.7944 -46.7944 -46.7929 -46.7929 -18.9830 -18.9830 -18.9497 -18.9497 -18.7473 -18.7473 -18.7342 -18.7342 -18.5669 -18.5669 -18.5667 -18.5667 -11.2202 -11.2202 2.3888 2.3888 2.4420 2.4420 2.7800 2.7800 8.6306 8.6306 12.3625 12.3625 12.4119 12.4119 12.6989 12.6989 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9829 -18.9829 -18.9497 -18.9497 -18.7432 -18.7432 -18.7384 -18.7384 -18.5669 -18.5669 -18.5667 -18.5667 -11.2202 -11.2202 2.4070 2.4070 2.4236 2.4236 2.7797 2.7797 8.6333 8.6333 12.3818 12.3818 12.3911 12.3911 12.6941 12.6941 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9829 -18.9829 -18.9497 -18.9497 -18.7432 -18.7432 -18.7384 -18.7384 -18.5669 -18.5669 -18.5667 -18.5667 -11.2202 -11.2202 2.4070 2.4070 2.4236 2.4236 2.7797 2.7797 8.6333 8.6333 12.3818 12.3818 12.3911 12.3911 12.6941 12.6941 k = 0.4940 0.0103 0.6124 ( 2656 PWs) bands (ev): -46.7942 -46.7942 -46.7932 -46.7932 -18.9829 -18.9829 -18.9497 -18.9497 -18.7456 -18.7456 -18.7359 -18.7359 -18.5670 -18.5670 -18.5667 -18.5667 -11.2202 -11.2202 2.3962 2.3962 2.4338 2.4338 2.7807 2.7807 8.6326 8.6326 12.3692 12.3692 12.3899 12.3899 12.7111 12.7111 k = 0.4881 0.0206 0.6124 ( 2674 PWs) bands (ev): -46.7947 -46.7947 -46.7927 -46.7927 -18.9830 -18.9830 -18.9497 -18.9497 -18.7497 -18.7497 -18.7321 -18.7321 -18.5673 -18.5673 -18.5668 -18.5668 -11.2203 -11.2203 2.3803 2.3803 2.4475 2.4475 2.7837 2.7837 8.6305 8.6305 12.3538 12.3538 12.3681 12.3681 12.7580 12.7580 k = 0.4821 0.0309 0.6124 ( 2674 PWs) bands (ev): -46.7952 -46.7952 -46.7923 -46.7923 -18.9829 -18.9829 -18.9494 -18.9494 -18.7537 -18.7537 -18.7279 -18.7279 -18.5677 -18.5677 -18.5667 -18.5667 -11.2205 -11.2205 2.3644 2.3644 2.4598 2.4598 2.7890 2.7890 8.6271 8.6271 12.3291 12.3291 12.3430 12.3430 12.8242 12.8242 k = 0.4762 0.0412 0.6124 ( 2674 PWs) bands (ev): -46.7956 -46.7956 -46.7918 -46.7918 -18.9828 -18.9828 -18.9491 -18.9491 -18.7577 -18.7577 -18.7238 -18.7238 -18.5682 -18.5682 -18.5667 -18.5667 -11.2208 -11.2208 2.3490 2.3490 2.4699 2.4699 2.7965 2.7965 8.6227 8.6227 12.2880 12.2880 12.3292 12.3292 12.9018 12.9018 k = 0.4702 0.0515 0.6124 ( 2670 PWs) bands (ev): -46.7960 -46.7960 -46.7914 -46.7914 -18.9827 -18.9827 -18.9485 -18.9485 -18.7617 -18.7617 -18.7196 -18.7196 -18.5688 -18.5688 -18.5666 -18.5666 -11.2211 -11.2211 2.3341 2.3341 2.4779 2.4779 2.8060 2.8060 8.6173 8.6173 12.2440 12.2440 12.3173 12.3173 12.9867 12.9867 k = 0.4643 0.0619 0.6124 ( 2668 PWs) bands (ev): -46.7964 -46.7964 -46.7910 -46.7910 -18.9826 -18.9826 -18.9479 -18.9479 -18.7656 -18.7656 -18.7155 -18.7155 -18.5695 -18.5695 -18.5665 -18.5665 -11.2214 -11.2214 2.3199 2.3199 2.4838 2.4838 2.8174 2.8174 8.6112 8.6112 12.2000 12.2000 12.3064 12.3064 13.0769 13.0769 k = 0.4583 0.0722 0.6124 ( 2666 PWs) bands (ev): -46.7968 -46.7968 -46.7906 -46.7906 -18.9825 -18.9825 -18.9471 -18.9471 -18.7694 -18.7694 -18.7115 -18.7115 -18.5704 -18.5704 -18.5665 -18.5665 -11.2217 -11.2217 2.3064 2.3064 2.4879 2.4879 2.8302 2.8302 8.6045 8.6045 12.1569 12.1569 12.2966 12.2966 13.1711 13.1711 k = 0.4524 0.0825 0.6124 ( 2664 PWs) bands (ev): -46.7972 -46.7972 -46.7902 -46.7902 -18.9825 -18.9825 -18.9463 -18.9463 -18.7731 -18.7731 -18.7076 -18.7076 -18.5713 -18.5713 -18.5664 -18.5664 -11.2221 -11.2221 2.2937 2.2937 2.4904 2.4904 2.8441 2.8441 8.5973 8.5973 12.1156 12.1156 12.2876 12.2876 13.2686 13.2686 k = 0.4464 0.0928 0.6124 ( 2662 PWs) bands (ev): -46.7975 -46.7975 -46.7899 -46.7899 -18.9825 -18.9825 -18.9454 -18.9454 -18.7767 -18.7767 -18.7037 -18.7037 -18.5723 -18.5723 -18.5663 -18.5663 -11.2225 -11.2225 2.2817 2.2817 2.4917 2.4917 2.8587 2.8587 8.5898 8.5898 12.0764 12.0764 12.2795 12.2795 13.3687 13.3687 k = 0.4405 0.1031 0.6124 ( 2662 PWs) bands (ev): -46.7978 -46.7978 -46.7896 -46.7896 -18.9825 -18.9825 -18.9444 -18.9444 -18.7802 -18.7802 -18.7000 -18.7000 -18.5734 -18.5734 -18.5663 -18.5663 -11.2229 -11.2229 2.2706 2.2706 2.4920 2.4920 2.8735 2.8735 8.5822 8.5822 12.0396 12.0396 12.2722 12.2722 13.4710 13.4710 k = 0.4345 0.1134 0.6124 ( 2660 PWs) bands (ev): -46.7981 -46.7981 -46.7893 -46.7893 -18.9825 -18.9825 -18.9434 -18.9434 -18.7835 -18.7835 -18.6965 -18.6965 -18.5744 -18.5744 -18.5662 -18.5662 -11.2233 -11.2233 2.2603 2.2603 2.4916 2.4916 2.8882 2.8882 8.5747 8.5747 12.0056 12.0056 12.2657 12.2657 13.5749 13.5749 k = 0.4286 0.1237 0.6124 ( 2663 PWs) bands (ev): -46.7983 -46.7983 -46.7891 -46.7891 -18.9826 -18.9826 -18.9423 -18.9423 -18.7866 -18.7866 -18.6932 -18.6932 -18.5756 -18.5756 -18.5661 -18.5661 -11.2236 -11.2236 2.2509 2.2509 2.4907 2.4907 2.9023 2.9023 8.5673 8.5673 11.9743 11.9743 12.2599 12.2599 13.6798 13.6798 k = 0.4226 0.1340 0.6124 ( 2659 PWs) bands (ev): -46.7985 -46.7985 -46.7889 -46.7889 -18.9826 -18.9826 -18.9413 -18.9413 -18.7894 -18.7894 -18.6900 -18.6900 -18.5766 -18.5766 -18.5661 -18.5661 -11.2240 -11.2240 2.2424 2.2424 2.4895 2.4895 2.9158 2.9158 8.5603 8.5603 11.9461 11.9461 12.2548 12.2548 13.7848 13.7848 k = 0.4167 0.1443 0.6124 ( 2659 PWs) bands (ev): -46.7987 -46.7987 -46.7887 -46.7887 -18.9827 -18.9827 -18.9403 -18.9403 -18.7920 -18.7920 -18.6872 -18.6872 -18.5777 -18.5777 -18.5660 -18.5660 -11.2243 -11.2243 2.2348 2.2348 2.4881 2.4881 2.9282 2.9282 8.5537 8.5537 11.9209 11.9209 12.2503 12.2503 13.8890 13.8890 k = 0.4107 0.1546 0.6124 ( 2655 PWs) bands (ev): -46.7989 -46.7989 -46.7885 -46.7885 -18.9827 -18.9827 -18.9393 -18.9393 -18.7943 -18.7943 -18.6846 -18.6846 -18.5787 -18.5787 -18.5660 -18.5660 -11.2246 -11.2246 2.2283 2.2283 2.4867 2.4867 2.9394 2.9394 8.5478 8.5478 11.8989 11.8989 12.2465 12.2465 13.9910 13.9910 k = 0.4048 0.1650 0.6124 ( 2659 PWs) bands (ev): -46.7991 -46.7991 -46.7884 -46.7884 -18.9828 -18.9828 -18.9385 -18.9385 -18.7963 -18.7963 -18.6824 -18.6824 -18.5796 -18.5796 -18.5660 -18.5660 -11.2249 -11.2249 2.2227 2.2227 2.4853 2.4853 2.9492 2.9492 8.5425 8.5425 11.8802 11.8802 12.2434 12.2434 14.0890 14.0890 k = 0.3988 0.1753 0.6124 ( 2659 PWs) bands (ev): -46.7992 -46.7992 -46.7882 -46.7882 -18.9828 -18.9828 -18.9378 -18.9378 -18.7980 -18.7980 -18.6805 -18.6805 -18.5804 -18.5804 -18.5659 -18.5659 -11.2251 -11.2251 2.2181 2.2181 2.4841 2.4841 2.9574 2.9574 8.5381 8.5381 11.8648 11.8648 12.2408 12.2408 14.1801 14.1801 k = 0.3929 0.1856 0.6124 ( 2655 PWs) bands (ev): -46.7993 -46.7993 -46.7881 -46.7881 -18.9828 -18.9828 -18.9371 -18.9371 -18.7993 -18.7993 -18.6790 -18.6790 -18.5810 -18.5810 -18.5659 -18.5659 -11.2252 -11.2252 2.2145 2.2145 2.4832 2.4832 2.9639 2.9639 8.5346 8.5346 11.8528 11.8528 12.2388 12.2388 14.2606 14.2606 k = 0.3869 0.1959 0.6124 ( 2660 PWs) bands (ev): -46.7993 -46.7993 -46.7881 -46.7881 -18.9829 -18.9829 -18.9367 -18.9367 -18.8003 -18.8003 -18.6779 -18.6779 -18.5816 -18.5816 -18.5659 -18.5659 -11.2254 -11.2254 2.2119 2.2119 2.4824 2.4824 2.9686 2.9686 8.5320 8.5320 11.8441 11.8441 12.2374 12.2374 14.3253 14.3253 k = 0.3810 0.2062 0.6124 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9364 -18.9364 -18.8009 -18.8009 -18.6772 -18.6772 -18.5819 -18.5819 -18.5658 -18.5658 -11.2254 -11.2254 2.2103 2.2103 2.4820 2.4820 2.9715 2.9715 8.5304 8.5304 11.8390 11.8390 12.2366 12.2366 14.3678 14.3678 k = 0.3750 0.2165 0.6124 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9363 -18.9363 -18.8011 -18.8011 -18.6770 -18.6770 -18.5820 -18.5820 -18.5658 -18.5658 -11.2255 -11.2255 2.2098 2.2098 2.4818 2.4818 2.9724 2.9724 8.5299 8.5299 11.8372 11.8372 12.2363 12.2363 14.3828 14.3828 k = 0.3750 0.2165 0.6124 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9363 -18.9363 -18.8011 -18.8011 -18.6770 -18.6770 -18.5820 -18.5820 -18.5658 -18.5658 -11.2255 -11.2255 2.2098 2.2098 2.4818 2.4818 2.9724 2.9724 8.5299 8.5299 11.8372 11.8372 12.2363 12.2363 14.3828 14.3828 k = 0.3689 0.2130 0.6023 ( 2654 PWs) bands (ev): -46.7986 -46.7986 -46.7888 -46.7888 -18.9812 -18.9812 -18.9336 -18.9336 -18.7981 -18.7981 -18.6801 -18.6801 -18.5855 -18.5855 -18.5663 -18.5663 -11.2265 -11.2265 2.2322 2.2322 2.4512 2.4512 2.9788 2.9788 8.5797 8.5797 11.7334 11.7334 12.2525 12.2525 14.3623 14.3623 k = 0.3627 0.2094 0.5923 ( 2662 PWs) bands (ev): -46.7979 -46.7979 -46.7896 -46.7896 -18.9795 -18.9795 -18.9308 -18.9308 -18.7950 -18.7950 -18.6833 -18.6833 -18.5893 -18.5893 -18.5669 -18.5669 -11.2277 -11.2277 2.2551 2.2551 2.4210 2.4210 2.9854 2.9854 8.6284 8.6284 11.6330 11.6330 12.2701 12.2701 14.3422 14.3422 k = 0.3566 0.2059 0.5823 ( 2654 PWs) bands (ev): -46.7970 -46.7970 -46.7904 -46.7904 -18.9776 -18.9776 -18.9279 -18.9279 -18.7917 -18.7917 -18.6864 -18.6864 -18.5930 -18.5930 -18.5674 -18.5674 -11.2290 -11.2290 2.2785 2.2785 2.3913 2.3913 2.9920 2.9920 8.6754 8.6754 11.5369 11.5369 12.2890 12.2890 14.3226 14.3226 k = 0.3504 0.2023 0.5722 ( 2656 PWs) bands (ev): -46.7962 -46.7962 -46.7913 -46.7913 -18.9757 -18.9757 -18.9249 -18.9249 -18.7883 -18.7883 -18.6897 -18.6897 -18.5969 -18.5969 -18.5681 -18.5681 -11.2305 -11.2305 2.3021 2.3021 2.3624 2.3624 2.9987 2.9987 8.7198 8.7198 11.4459 11.4459 12.3094 12.3094 14.3036 14.3036 k = 0.3443 0.1988 0.5622 ( 2656 PWs) bands (ev): -46.7953 -46.7953 -46.7922 -46.7922 -18.9737 -18.9737 -18.9219 -18.9219 -18.7848 -18.7848 -18.6930 -18.6930 -18.6008 -18.6008 -18.5686 -18.5686 -11.2322 -11.2322 2.3226 2.3226 2.3379 2.3379 3.0055 3.0055 8.7608 8.7608 11.3611 11.3611 12.3313 12.3313 14.2855 14.2855 k = 0.3381 0.1952 0.5521 ( 2662 PWs) bands (ev): -46.7945 -46.7945 -46.7931 -46.7931 -18.9718 -18.9718 -18.9189 -18.9189 -18.7813 -18.7813 -18.6963 -18.6963 -18.6049 -18.6049 -18.5692 -18.5692 -11.2341 -11.2341 2.3044 2.3044 2.3533 2.3533 3.0124 3.0124 8.7971 8.7971 11.2835 11.2835 12.3547 12.3547 14.2683 14.2683 k = 0.3320 0.1917 0.5421 ( 2662 PWs) bands (ev): -46.7940 -46.7940 -46.7936 -46.7936 -18.9698 -18.9698 -18.9157 -18.9157 -18.7775 -18.7775 -18.6997 -18.6997 -18.6090 -18.6090 -18.5698 -18.5698 -11.2361 -11.2361 2.2783 2.2783 2.3779 2.3779 3.0192 3.0192 8.8278 8.8278 11.2143 11.2143 12.3797 12.3797 14.2522 14.2522 k = 0.3258 0.1881 0.5321 ( 2658 PWs) bands (ev): -46.7950 -46.7950 -46.7926 -46.7926 -18.9677 -18.9677 -18.9123 -18.9123 -18.7736 -18.7736 -18.7031 -18.7031 -18.6133 -18.6133 -18.5704 -18.5704 -11.2384 -11.2384 2.2530 2.2530 2.4031 2.4031 3.0260 3.0260 8.8516 8.8516 11.1548 11.1548 12.4065 12.4065 14.2374 14.2374 k = 0.3197 0.1846 0.5220 ( 2658 PWs) bands (ev): -46.7959 -46.7959 -46.7917 -46.7917 -18.9657 -18.9657 -18.9089 -18.9089 -18.7697 -18.7697 -18.7065 -18.7065 -18.6175 -18.6175 -18.5710 -18.5710 -11.2408 -11.2408 2.2288 2.2288 2.4285 2.4285 3.0329 3.0329 8.8673 8.8673 11.1061 11.1061 12.4350 12.4350 14.2240 14.2240 k = 0.3135 0.1810 0.5120 ( 2652 PWs) bands (ev): -46.7969 -46.7969 -46.7907 -46.7907 -18.9636 -18.9636 -18.9055 -18.9055 -18.7656 -18.7656 -18.7099 -18.7099 -18.6219 -18.6219 -18.5716 -18.5716 -11.2435 -11.2435 2.2059 2.2059 2.4541 2.4541 3.0396 3.0396 8.8737 8.8737 11.0694 11.0694 12.4652 12.4652 14.2121 14.2121 k = 0.3074 0.1775 0.5019 ( 2670 PWs) bands (ev): -46.7979 -46.7979 -46.7898 -46.7898 -18.9617 -18.9617 -18.9020 -18.9020 -18.7615 -18.7615 -18.7135 -18.7135 -18.6264 -18.6264 -18.5722 -18.5722 -11.2464 -11.2464 2.1844 2.1844 2.4797 2.4797 3.0463 3.0463 8.8700 8.8700 11.0456 11.0456 12.4974 12.4974 14.2019 14.2019 k = 0.3012 0.1739 0.4919 ( 2672 PWs) bands (ev): -46.7990 -46.7990 -46.7888 -46.7888 -18.9597 -18.9597 -18.8985 -18.8985 -18.7574 -18.7574 -18.7168 -18.7168 -18.6309 -18.6309 -18.5728 -18.5728 -11.2495 -11.2495 2.1645 2.1645 2.5054 2.5054 3.0529 3.0529 8.8557 8.8557 11.0353 11.0353 12.5314 12.5314 14.1935 14.1935 k = 0.2951 0.1704 0.4819 ( 2672 PWs) bands (ev): -46.8000 -46.8000 -46.7878 -46.7878 -18.9578 -18.9578 -18.8948 -18.8948 -18.7531 -18.7531 -18.7201 -18.7201 -18.6353 -18.6353 -18.5734 -18.5734 -11.2529 -11.2529 2.1461 2.1461 2.5310 2.5310 3.0593 3.0593 8.8304 8.8304 11.0387 11.0387 12.5675 12.5675 14.1870 14.1870 k = 0.2889 0.1668 0.4718 ( 2672 PWs) bands (ev): -46.8011 -46.8011 -46.7868 -46.7868 -18.9559 -18.9559 -18.8911 -18.8911 -18.7489 -18.7489 -18.7233 -18.7233 -18.6399 -18.6399 -18.5741 -18.5741 -11.2565 -11.2565 2.1295 2.1295 2.5565 2.5565 3.0657 3.0657 8.7945 8.7945 11.0554 11.0554 12.6055 12.6055 14.1826 14.1826 k = 0.2828 0.1633 0.4618 ( 2672 PWs) bands (ev): -46.8021 -46.8021 -46.7858 -46.7858 -18.9540 -18.9540 -18.8873 -18.8873 -18.7447 -18.7447 -18.7262 -18.7262 -18.6444 -18.6444 -18.5746 -18.5746 -11.2603 -11.2603 2.1147 2.1147 2.5818 2.5818 3.0719 3.0719 8.7486 8.7486 11.0850 11.0850 12.6456 12.6456 14.1803 14.1803 k = 0.2766 0.1597 0.4518 ( 2664 PWs) bands (ev): -46.8032 -46.8032 -46.7848 -46.7848 -18.9522 -18.9522 -18.8833 -18.8833 -18.7410 -18.7410 -18.7285 -18.7285 -18.6489 -18.6489 -18.5752 -18.5752 -11.2643 -11.2643 2.1017 2.1017 2.6069 2.6069 3.0779 3.0779 8.6935 8.6935 11.1265 11.1265 12.6878 12.6878 14.1803 14.1803 k = 0.2705 0.1562 0.4417 ( 2662 PWs) bands (ev): -46.8043 -46.8043 -46.7837 -46.7837 -18.9505 -18.9505 -18.8793 -18.8793 -18.7387 -18.7387 -18.7292 -18.7292 -18.6534 -18.6534 -18.5757 -18.5757 -11.2686 -11.2686 2.0906 2.0906 2.6317 2.6317 3.0838 3.0838 8.6303 8.6303 11.1790 11.1790 12.7321 12.7321 14.1827 14.1827 k = 0.2643 0.1526 0.4317 ( 2666 PWs) bands (ev): -46.8053 -46.8053 -46.7827 -46.7827 -18.9489 -18.9489 -18.8754 -18.8754 -18.7394 -18.7394 -18.7271 -18.7271 -18.6580 -18.6580 -18.5763 -18.5763 -11.2731 -11.2731 2.0815 2.0815 2.6561 2.6561 3.0894 3.0894 8.5600 8.5600 11.2412 11.2412 12.7786 12.7786 14.1876 14.1876 k = 0.2582 0.1491 0.4216 ( 2662 PWs) bands (ev): -46.8064 -46.8064 -46.7817 -46.7817 -18.9473 -18.9473 -18.8713 -18.8713 -18.7414 -18.7414 -18.7232 -18.7232 -18.6625 -18.6625 -18.5768 -18.5768 -11.2778 -11.2778 2.0744 2.0744 2.6802 2.6802 3.0948 3.0948 8.4837 8.4837 11.3122 11.3122 12.8273 12.8273 14.1950 14.1950 k = 0.2520 0.1455 0.4116 ( 2676 PWs) bands (ev): -46.8076 -46.8076 -46.7806 -46.7806 -18.9459 -18.9459 -18.8674 -18.8674 -18.7440 -18.7440 -18.7189 -18.7189 -18.6671 -18.6671 -18.5774 -18.5774 -11.2828 -11.2828 2.0693 2.0693 2.7038 2.7038 3.1000 3.1000 8.4023 8.4023 11.3911 11.3911 12.8782 12.8782 14.2051 14.2051 k = 0.2459 0.1420 0.4016 ( 2668 PWs) bands (ev): -46.8086 -46.8086 -46.7796 -46.7796 -18.9446 -18.9446 -18.8631 -18.8631 -18.7466 -18.7466 -18.7141 -18.7141 -18.6716 -18.6716 -18.5778 -18.5778 -11.2880 -11.2880 2.0664 2.0664 2.7270 2.7270 3.1050 3.1050 8.3167 8.3167 11.4769 11.4769 12.9313 12.9313 14.2180 14.2180 k = 0.2398 0.1384 0.3915 ( 2664 PWs) bands (ev): -46.8097 -46.8097 -46.7785 -46.7785 -18.9434 -18.9434 -18.8589 -18.8589 -18.7492 -18.7492 -18.7093 -18.7093 -18.6761 -18.6761 -18.5782 -18.5782 -11.2934 -11.2934 2.0656 2.0656 2.7497 2.7497 3.1097 3.1097 8.2275 8.2275 11.5688 11.5688 12.9867 12.9867 14.2337 14.2337 k = 0.2336 0.1349 0.3815 ( 2668 PWs) bands (ev): -46.8108 -46.8108 -46.7775 -46.7775 -18.9424 -18.9424 -18.8547 -18.8547 -18.7518 -18.7518 -18.7045 -18.7045 -18.6806 -18.6806 -18.5786 -18.5786 -11.2990 -11.2990 2.0670 2.0670 2.7718 2.7718 3.1141 3.1141 8.1355 8.1355 11.6663 11.6663 13.0443 13.0443 14.2523 14.2523 k = 0.2275 0.1313 0.3714 ( 2664 PWs) bands (ev): -46.8119 -46.8119 -46.7765 -46.7765 -18.9414 -18.9414 -18.8504 -18.8504 -18.7541 -18.7541 -18.6996 -18.6996 -18.6850 -18.6850 -18.5790 -18.5790 -11.3048 -11.3048 2.0706 2.0706 2.7933 2.7933 3.1183 3.1183 8.0413 8.0413 11.7687 11.7687 13.1042 13.1042 14.2738 14.2738 k = 0.2213 0.1278 0.3614 ( 2670 PWs) bands (ev): -46.8130 -46.8130 -46.7755 -46.7755 -18.9406 -18.9406 -18.8462 -18.8462 -18.7565 -18.7565 -18.6947 -18.6947 -18.6894 -18.6894 -18.5794 -18.5794 -11.3108 -11.3108 2.0764 2.0764 2.8143 2.8143 3.1222 3.1222 7.9451 7.9451 11.8756 11.8756 13.1663 13.1663 14.2984 14.2984 k = 0.2152 0.1242 0.3514 ( 2670 PWs) bands (ev): -46.8141 -46.8141 -46.7745 -46.7745 -18.9400 -18.9400 -18.8419 -18.8419 -18.7587 -18.7587 -18.6939 -18.6939 -18.6896 -18.6896 -18.5797 -18.5797 -11.3169 -11.3169 2.0844 2.0844 2.8346 2.8346 3.1258 3.1258 7.8476 7.8476 11.9865 11.9865 13.2307 13.2307 14.3260 14.3260 k = 0.2090 0.1207 0.3413 ( 2670 PWs) bands (ev): -46.8151 -46.8151 -46.7735 -46.7735 -18.9395 -18.9395 -18.8376 -18.8376 -18.7609 -18.7609 -18.6982 -18.6982 -18.6846 -18.6846 -18.5799 -18.5799 -11.3232 -11.3232 2.0946 2.0946 2.8542 2.8542 3.1292 3.1292 7.7489 7.7489 12.1011 12.1011 13.2973 13.2973 14.3568 14.3568 k = 0.2029 0.1171 0.3313 ( 2666 PWs) bands (ev): -46.8162 -46.8162 -46.7725 -46.7725 -18.9391 -18.9391 -18.8333 -18.8333 -18.7627 -18.7627 -18.7024 -18.7024 -18.6797 -18.6797 -18.5801 -18.5801 -11.3297 -11.3297 2.1071 2.1071 2.8732 2.8732 3.1323 3.1323 7.6493 7.6493 12.2191 12.2191 13.3661 13.3661 14.3907 14.3907 k = 0.1967 0.1136 0.3212 ( 2666 PWs) bands (ev): -46.8173 -46.8173 -46.7715 -46.7715 -18.9388 -18.9388 -18.8291 -18.8291 -18.7645 -18.7645 -18.7065 -18.7065 -18.6747 -18.6747 -18.5803 -18.5803 -11.3363 -11.3363 2.1218 2.1218 2.8915 2.8915 3.1351 3.1351 7.5492 7.5492 12.3402 12.3402 13.4370 13.4370 14.4278 14.4278 k = 0.1906 0.1100 0.3112 ( 2666 PWs) bands (ev): -46.8183 -46.8183 -46.7705 -46.7705 -18.9387 -18.9387 -18.8249 -18.8249 -18.7662 -18.7662 -18.7106 -18.7106 -18.6698 -18.6698 -18.5805 -18.5805 -11.3430 -11.3430 2.1386 2.1386 2.9090 2.9090 3.1377 3.1377 7.4487 7.4487 12.4642 12.4642 13.5101 13.5101 14.4682 14.4682 k = 0.1844 0.1065 0.3012 ( 2670 PWs) bands (ev): -46.8193 -46.8193 -46.7696 -46.7696 -18.9388 -18.9388 -18.8207 -18.8207 -18.7678 -18.7678 -18.7147 -18.7147 -18.6648 -18.6648 -18.5806 -18.5806 -11.3498 -11.3498 2.1577 2.1577 2.9259 2.9259 3.1400 3.1400 7.3480 7.3480 12.5908 12.5908 13.5852 13.5852 14.5118 14.5118 k = 0.1783 0.1029 0.2911 ( 2662 PWs) bands (ev): -46.8203 -46.8203 -46.7686 -46.7686 -18.9388 -18.9388 -18.8166 -18.8166 -18.7691 -18.7691 -18.7185 -18.7185 -18.6599 -18.6599 -18.5807 -18.5807 -11.3567 -11.3567 2.1789 2.1789 2.9421 2.9421 3.1420 3.1420 7.2472 7.2472 12.7198 12.7198 13.6624 13.6624 14.5586 14.5586 k = 0.1721 0.0994 0.2811 ( 2662 PWs) bands (ev): -46.8213 -46.8213 -46.7677 -46.7677 -18.9390 -18.9390 -18.8126 -18.8126 -18.7704 -18.7704 -18.7223 -18.7223 -18.6551 -18.6551 -18.5807 -18.5807 -11.3637 -11.3637 2.2023 2.2023 2.9575 2.9575 3.1438 3.1438 7.1466 7.1466 12.8510 12.8510 13.7416 13.7416 14.6088 14.6088 k = 0.1660 0.0958 0.2711 ( 2659 PWs) bands (ev): -46.8223 -46.8223 -46.7668 -46.7668 -18.9393 -18.9393 -18.8086 -18.8086 -18.7715 -18.7715 -18.7261 -18.7261 -18.6503 -18.6503 -18.5807 -18.5807 -11.3707 -11.3707 2.2278 2.2278 2.9722 2.9722 3.1454 3.1454 7.0462 7.0462 12.9843 12.9843 13.8226 13.8226 14.6622 14.6622 k = 0.1598 0.0923 0.2610 ( 2663 PWs) bands (ev): -46.8232 -46.8232 -46.7659 -46.7659 -18.9397 -18.9397 -18.8049 -18.8049 -18.7726 -18.7726 -18.7297 -18.7297 -18.6456 -18.6456 -18.5807 -18.5807 -11.3777 -11.3777 2.2552 2.2552 2.9862 2.9862 3.1467 3.1467 6.9463 6.9463 13.1195 13.1195 13.9055 13.9055 14.7188 14.7188 k = 0.1537 0.0887 0.2510 ( 2671 PWs) bands (ev): -46.8242 -46.8242 -46.7651 -46.7651 -18.9403 -18.9403 -18.8012 -18.8012 -18.7735 -18.7735 -18.7333 -18.7333 -18.6410 -18.6410 -18.5807 -18.5807 -11.3847 -11.3847 2.2847 2.2847 2.9994 2.9994 3.1478 3.1478 6.8468 6.8468 13.2564 13.2564 13.9901 13.9901 14.7788 14.7788 k = 0.1475 0.0852 0.2409 ( 2663 PWs) bands (ev): -46.8250 -46.8250 -46.7643 -46.7643 -18.9408 -18.9408 -18.7975 -18.7975 -18.7743 -18.7743 -18.7367 -18.7367 -18.6364 -18.6364 -18.5805 -18.5805 -11.3916 -11.3916 2.3161 2.3161 3.0120 3.0120 3.1488 3.1488 6.7480 6.7480 13.3947 13.3947 14.0764 14.0764 14.8420 14.8420 k = 0.1414 0.0816 0.2309 ( 2663 PWs) bands (ev): -46.8259 -46.8259 -46.7635 -46.7635 -18.9415 -18.9415 -18.7940 -18.7940 -18.7749 -18.7749 -18.7400 -18.7400 -18.6319 -18.6319 -18.5803 -18.5803 -11.3985 -11.3985 2.3493 2.3493 3.0239 3.0239 3.1495 3.1495 6.6499 6.6499 13.5344 13.5344 14.1642 14.1642 14.9084 14.9084 k = 0.1352 0.0781 0.2209 ( 2671 PWs) bands (ev): -46.8268 -46.8268 -46.7627 -46.7627 -18.9422 -18.9422 -18.7908 -18.7908 -18.7755 -18.7755 -18.7432 -18.7432 -18.6276 -18.6276 -18.5802 -18.5802 -11.4054 -11.4054 2.3842 2.3842 3.0350 3.0350 3.1500 3.1500 6.5527 6.5527 13.6752 13.6752 14.2535 14.2535 14.9781 14.9781 k = 0.1291 0.0745 0.2108 ( 2673 PWs) bands (ev): -46.8276 -46.8276 -46.7619 -46.7619 -18.9430 -18.9430 -18.7876 -18.7876 -18.7760 -18.7760 -18.7464 -18.7464 -18.6232 -18.6232 -18.5799 -18.5799 -11.4121 -11.4121 2.4209 2.4209 3.0455 3.0455 3.1504 3.1504 6.4566 6.4566 13.8169 13.8169 14.3441 14.3441 15.0509 15.0509 k = 0.1230 0.0710 0.2008 ( 2673 PWs) bands (ev): -46.8284 -46.8284 -46.7612 -46.7612 -18.9438 -18.9438 -18.7847 -18.7847 -18.7762 -18.7762 -18.7493 -18.7493 -18.6191 -18.6191 -18.5796 -18.5796 -11.4188 -11.4188 2.4590 2.4590 3.0554 3.0554 3.1507 3.1507 6.3616 6.3616 13.9593 13.9593 14.4359 14.4359 15.1269 15.1269 k = 0.1168 0.0674 0.1907 ( 2677 PWs) bands (ev): -46.8292 -46.8292 -46.7605 -46.7605 -18.9446 -18.9446 -18.7823 -18.7823 -18.7761 -18.7761 -18.7521 -18.7521 -18.6151 -18.6151 -18.5793 -18.5793 -11.4253 -11.4253 2.4986 2.4986 3.0645 3.0645 3.1509 3.1509 6.2679 6.2679 14.1021 14.1021 14.5288 14.5288 15.2060 15.2060 k = 0.1107 0.0639 0.1807 ( 2677 PWs) bands (ev): -46.8299 -46.8299 -46.7598 -46.7598 -18.9455 -18.9455 -18.7804 -18.7804 -18.7755 -18.7755 -18.7548 -18.7548 -18.6112 -18.6112 -18.5790 -18.5790 -11.4316 -11.4316 2.5394 2.5394 3.0731 3.0731 3.1509 3.1509 6.1757 6.1757 14.2450 14.2450 14.6227 14.6227 15.2882 15.2882 k = 0.1045 0.0603 0.1707 ( 2685 PWs) bands (ev): -46.8306 -46.8306 -46.7592 -46.7592 -18.9464 -18.9464 -18.7796 -18.7796 -18.7740 -18.7740 -18.7575 -18.7575 -18.6075 -18.6075 -18.5786 -18.5786 -11.4377 -11.4377 2.5813 2.5813 3.0810 3.0810 3.1508 3.1508 6.0851 6.0851 14.3877 14.3877 14.7173 14.7173 15.3733 15.3733 k = 0.0984 0.0568 0.1606 ( 2685 PWs) bands (ev): -46.8313 -46.8313 -46.7586 -46.7586 -18.9472 -18.9472 -18.7793 -18.7793 -18.7720 -18.7720 -18.7599 -18.7599 -18.6039 -18.6039 -18.5783 -18.5783 -11.4436 -11.4436 2.6241 2.6241 3.0883 3.0883 3.1507 3.1507 5.9964 5.9964 14.5299 14.5299 14.8125 14.8125 15.4614 15.4614 k = 0.0922 0.0532 0.1506 ( 2685 PWs) bands (ev): -46.8319 -46.8319 -46.7580 -46.7580 -18.9480 -18.9480 -18.7792 -18.7792 -18.7699 -18.7699 -18.7622 -18.7622 -18.6004 -18.6004 -18.5779 -18.5779 -11.4493 -11.4493 2.6677 2.6677 3.0950 3.0950 3.1506 3.1506 5.9097 5.9097 14.6710 14.6710 14.9081 14.9081 15.5523 15.5523 k = 0.0861 0.0497 0.1405 ( 2691 PWs) bands (ev): -46.8325 -46.8325 -46.7575 -46.7575 -18.9489 -18.9489 -18.7792 -18.7792 -18.7680 -18.7680 -18.7643 -18.7643 -18.5973 -18.5973 -18.5775 -18.5775 -11.4548 -11.4548 2.7116 2.7116 3.1011 3.1011 3.1505 3.1505 5.8254 5.8254 14.8105 14.8105 15.0038 15.0038 15.6461 15.6461 k = 0.0799 0.0461 0.1305 ( 2693 PWs) bands (ev): -46.8331 -46.8331 -46.7570 -46.7570 -18.9497 -18.9497 -18.7792 -18.7792 -18.7667 -18.7667 -18.7657 -18.7657 -18.5941 -18.5941 -18.5771 -18.5771 -11.4599 -11.4599 2.7558 2.7558 3.1067 3.1067 3.1503 3.1503 5.7437 5.7437 14.9480 14.9480 15.0996 15.0996 15.7425 15.7425 k = 0.0738 0.0426 0.1205 ( 2693 PWs) bands (ev): -46.8336 -46.8336 -46.7565 -46.7565 -18.9504 -18.9504 -18.7792 -18.7792 -18.7683 -18.7683 -18.7640 -18.7640 -18.5912 -18.5912 -18.5767 -18.5767 -11.4648 -11.4648 2.7998 2.7998 3.1117 3.1117 3.1502 3.1502 5.6648 5.6648 15.0825 15.0825 15.1950 15.1950 15.8416 15.8416 k = 0.0676 0.0390 0.1104 ( 2693 PWs) bands (ev): -46.8341 -46.8341 -46.7561 -46.7561 -18.9512 -18.9512 -18.7793 -18.7793 -18.7700 -18.7700 -18.7624 -18.7624 -18.5885 -18.5885 -18.5763 -18.5763 -11.4693 -11.4693 2.8432 2.8432 3.1161 3.1161 3.1502 3.1502 5.5893 5.5893 15.2132 15.2132 15.2898 15.2898 15.9431 15.9431 k = 0.0615 0.0355 0.1004 ( 2697 PWs) bands (ev): -46.8346 -46.8346 -46.7557 -46.7557 -18.9518 -18.9518 -18.7793 -18.7793 -18.7716 -18.7716 -18.7609 -18.7609 -18.5861 -18.5861 -18.5760 -18.5760 -11.4735 -11.4735 2.8858 2.8858 3.1200 3.1200 3.1502 3.1502 5.5175 5.5175 15.3389 15.3389 15.3837 15.3837 16.0471 16.0471 k = 0.0553 0.0319 0.0904 ( 2697 PWs) bands (ev): -46.8350 -46.8350 -46.7553 -46.7553 -18.9525 -18.9525 -18.7793 -18.7793 -18.7731 -18.7731 -18.7595 -18.7595 -18.5838 -18.5838 -18.5756 -18.5756 -11.4774 -11.4774 2.9269 2.9269 3.1234 3.1234 3.1503 3.1503 5.4498 5.4498 15.4573 15.4573 15.4773 15.4773 16.1010 16.1010 k = 0.0492 0.0284 0.0803 ( 2697 PWs) bands (ev): -46.8353 -46.8353 -46.7550 -46.7550 -18.9531 -18.9531 -18.7793 -18.7793 -18.7744 -18.7744 -18.7582 -18.7582 -18.5817 -18.5817 -18.5753 -18.5753 -11.4809 -11.4809 2.9661 2.9661 3.1264 3.1264 3.1505 3.1505 5.3867 5.3867 15.5604 15.5604 15.5764 15.5764 16.0854 16.0854 k = 0.0430 0.0248 0.0703 ( 2701 PWs) bands (ev): -46.8357 -46.8357 -46.7547 -46.7547 -18.9536 -18.9536 -18.7793 -18.7793 -18.7755 -18.7755 -18.7571 -18.7571 -18.5800 -18.5800 -18.5750 -18.5750 -11.4840 -11.4840 3.0027 3.0027 3.1289 3.1289 3.1509 3.1509 5.3289 5.3289 15.6490 15.6490 15.6777 15.6777 16.0717 16.0717 k = 0.0369 0.0213 0.0602 ( 2705 PWs) bands (ev): -46.8360 -46.8360 -46.7545 -46.7545 -18.9540 -18.9540 -18.7793 -18.7793 -18.7765 -18.7765 -18.7562 -18.7562 -18.5784 -18.5784 -18.5747 -18.5747 -11.4867 -11.4867 3.0360 3.0360 3.1312 3.1312 3.1513 3.1513 5.2769 5.2769 15.7318 15.7318 15.7696 15.7696 16.0599 16.0599 k = 0.0307 0.0177 0.0502 ( 2705 PWs) bands (ev): -46.8362 -46.8362 -46.7542 -46.7542 -18.9544 -18.9544 -18.7793 -18.7793 -18.7773 -18.7773 -18.7554 -18.7554 -18.5771 -18.5771 -18.5745 -18.5745 -11.4891 -11.4891 3.0653 3.0653 3.1335 3.1335 3.1518 3.1518 5.2314 5.2314 15.8085 15.8085 15.8491 15.8491 16.0501 16.0501 k = 0.0246 0.0142 0.0402 ( 2705 PWs) bands (ev): -46.8364 -46.8364 -46.7541 -46.7541 -18.9548 -18.9548 -18.7792 -18.7792 -18.7780 -18.7780 -18.7548 -18.7548 -18.5759 -18.5759 -18.5743 -18.5743 -11.4910 -11.4910 3.0894 3.0894 3.1362 3.1362 3.1522 3.1522 5.1930 5.1930 15.8770 15.8770 15.9148 15.9148 16.0424 16.0424 k = 0.0184 0.0106 0.0301 ( 2701 PWs) bands (ev): -46.8366 -46.8366 -46.7539 -46.7539 -18.9550 -18.9550 -18.7792 -18.7792 -18.7785 -18.7785 -18.7543 -18.7543 -18.5750 -18.5750 -18.5741 -18.5741 -11.4925 -11.4925 3.1070 3.1070 3.1402 3.1402 3.1527 3.1527 5.1624 5.1624 15.9343 15.9343 15.9663 15.9663 16.0370 16.0370 k = 0.0123 0.0071 0.0201 ( 2699 PWs) bands (ev): -46.8367 -46.8367 -46.7538 -46.7538 -18.9551 -18.9551 -18.7791 -18.7791 -18.7789 -18.7789 -18.7539 -18.7539 -18.5744 -18.5744 -18.5740 -18.5740 -11.4936 -11.4936 3.1171 3.1171 3.1459 3.1459 3.1530 3.1530 5.1401 5.1401 15.9759 15.9759 16.0042 16.0042 16.0346 16.0346 k = 0.0061 0.0035 0.0100 ( 2695 PWs) bands (ev): -46.8367 -46.8367 -46.7537 -46.7537 -18.9552 -18.9552 -18.7791 -18.7791 -18.7790 -18.7790 -18.7537 -18.7537 -18.5740 -18.5740 -18.5739 -18.5739 -11.4942 -11.4942 3.1215 3.1215 3.1512 3.1512 3.1533 3.1533 5.1265 5.1265 15.9980 15.9980 16.0287 16.0287 16.0358 16.0358 k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -46.8367 -46.8367 -46.7537 -46.7537 -18.9551 -18.9551 -18.7790 -18.7790 -18.7790 -18.7790 -18.7536 -18.7536 -18.5739 -18.5739 -18.5739 -18.5739 -11.4944 -11.4944 3.1227 3.1227 3.1533 3.1533 3.1533 3.1533 5.1219 5.1219 16.0039 16.0039 16.0374 16.0374 16.0374 16.0374 k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -46.8367 -46.8367 -46.7537 -46.7537 -18.9551 -18.9551 -18.7790 -18.7790 -18.7790 -18.7790 -18.7536 -18.7536 -18.5739 -18.5739 -18.5739 -18.5739 -11.4944 -11.4944 3.1227 3.1227 3.1533 3.1533 3.1533 3.1533 5.1219 5.1219 16.0039 16.0039 16.0374 16.0374 16.0374 16.0374 k = 0.0100 0.0058 0.0041 ( 2691 PWs) bands (ev): -46.8367 -46.8367 -46.7537 -46.7537 -18.9551 -18.9551 -18.7791 -18.7791 -18.7790 -18.7790 -18.7537 -18.7537 -18.5740 -18.5740 -18.5740 -18.5740 -11.4942 -11.4942 3.1215 3.1215 3.1512 3.1512 3.1533 3.1533 5.1264 5.1264 15.9977 15.9977 16.0291 16.0291 16.0357 16.0357 k = 0.0200 0.0115 0.0082 ( 2700 PWs) bands (ev): -46.8367 -46.8367 -46.7538 -46.7538 -18.9551 -18.9551 -18.7791 -18.7791 -18.7789 -18.7789 -18.7539 -18.7539 -18.5743 -18.5743 -18.5741 -18.5741 -11.4936 -11.4936 3.1171 3.1171 3.1459 3.1459 3.1532 3.1532 5.1399 5.1399 15.9701 15.9701 16.0143 16.0143 16.0304 16.0304 k = 0.0300 0.0173 0.0122 ( 2703 PWs) bands (ev): -46.8366 -46.8366 -46.7539 -46.7539 -18.9550 -18.9550 -18.7790 -18.7790 -18.7788 -18.7788 -18.7543 -18.7543 -18.5747 -18.5747 -18.5744 -18.5744 -11.4925 -11.4925 3.1067 3.1067 3.1404 3.1404 3.1530 3.1530 5.1621 5.1621 15.9148 15.9148 16.0014 16.0014 16.0209 16.0209 k = 0.0400 0.0231 0.0163 ( 2709 PWs) bands (ev): -46.8364 -46.8364 -46.7541 -46.7541 -18.9548 -18.9548 -18.7788 -18.7788 -18.7786 -18.7786 -18.7548 -18.7548 -18.5754 -18.5754 -18.5748 -18.5748 -11.4910 -11.4910 3.0887 3.0887 3.1369 3.1369 3.1527 3.1527 5.1925 5.1925 15.8386 15.8386 15.9859 15.9859 16.0062 16.0062 k = 0.0500 0.0289 0.0204 ( 2709 PWs) bands (ev): -46.8362 -46.8362 -46.7543 -46.7543 -18.9545 -18.9545 -18.7785 -18.7785 -18.7782 -18.7782 -18.7554 -18.7554 -18.5762 -18.5762 -18.5753 -18.5753 -11.4891 -11.4891 3.0640 3.0640 3.1348 3.1348 3.1523 3.1523 5.2306 5.2306 15.7467 15.7467 15.9649 15.9649 15.9853 15.9853 k = 0.0600 0.0346 0.0245 ( 2709 PWs) bands (ev): -46.8360 -46.8360 -46.7545 -46.7545 -18.9541 -18.9541 -18.7782 -18.7782 -18.7777 -18.7777 -18.7562 -18.7562 -18.5772 -18.5772 -18.5759 -18.5759 -11.4868 -11.4868 3.0341 3.0341 3.1334 3.1334 3.1519 3.1519 5.2757 5.2757 15.6422 15.6422 15.9369 15.9369 15.9568 15.9568 k = 0.0700 0.0404 0.0286 ( 2703 PWs) bands (ev): -46.8357 -46.8357 -46.7547 -46.7547 -18.9536 -18.9536 -18.7778 -18.7778 -18.7771 -18.7771 -18.7570 -18.7570 -18.5783 -18.5783 -18.5766 -18.5766 -11.4841 -11.4841 2.9999 2.9999 3.1324 3.1324 3.1514 3.1514 5.3272 5.3272 15.5276 15.5276 15.9008 15.9008 15.9200 15.9200 k = 0.0800 0.0462 0.0327 ( 2703 PWs) bands (ev): -46.8354 -46.8354 -46.7550 -46.7550 -18.9530 -18.9530 -18.7774 -18.7774 -18.7764 -18.7764 -18.7581 -18.7581 -18.5796 -18.5796 -18.5774 -18.5774 -11.4810 -11.4810 2.9623 2.9623 3.1315 3.1315 3.1509 3.1509 5.3845 5.3845 15.4048 15.4048 15.8565 15.8565 15.8747 15.8747 k = 0.0900 0.0520 0.0367 ( 2697 PWs) bands (ev): -46.8350 -46.8350 -46.7553 -46.7553 -18.9524 -18.9524 -18.7769 -18.7769 -18.7757 -18.7757 -18.7592 -18.7592 -18.5811 -18.5811 -18.5783 -18.5783 -11.4775 -11.4775 2.9220 2.9220 3.1306 3.1306 3.1503 3.1503 5.4470 5.4470 15.2753 15.2753 15.8043 15.8043 15.8214 15.8214 k = 0.1000 0.0577 0.0408 ( 2697 PWs) bands (ev): -46.8346 -46.8346 -46.7557 -46.7557 -18.9517 -18.9517 -18.7764 -18.7764 -18.7748 -18.7748 -18.7605 -18.7605 -18.5828 -18.5828 -18.5794 -18.5794 -11.4737 -11.4737 2.8794 2.8794 3.1297 3.1297 3.1496 3.1496 5.5141 5.5141 15.1404 15.1404 15.7453 15.7453 15.7614 15.7614 k = 0.1100 0.0635 0.0449 ( 2697 PWs) bands (ev): -46.8341 -46.8341 -46.7561 -46.7561 -18.9510 -18.9510 -18.7758 -18.7758 -18.7739 -18.7739 -18.7620 -18.7620 -18.5846 -18.5846 -18.5805 -18.5805 -11.4695 -11.4695 2.8352 2.8352 3.1288 3.1288 3.1488 3.1488 5.5852 5.5852 15.0009 15.0009 15.6810 15.6810 15.6961 15.6961 k = 0.1200 0.0693 0.0490 ( 2698 PWs) bands (ev): -46.8336 -46.8336 -46.7565 -46.7565 -18.9501 -18.9501 -18.7752 -18.7752 -18.7729 -18.7729 -18.7635 -18.7635 -18.5866 -18.5866 -18.5818 -18.5818 -11.4651 -11.4651 2.7899 2.7899 3.1279 3.1279 3.1480 3.1480 5.6600 5.6600 14.8579 14.8579 15.6127 15.6127 15.6270 15.6270 k = 0.1300 0.0751 0.0531 ( 2698 PWs) bands (ev): -46.8331 -46.8331 -46.7570 -46.7570 -18.9492 -18.9492 -18.7746 -18.7746 -18.7717 -18.7717 -18.7651 -18.7651 -18.5887 -18.5887 -18.5831 -18.5831 -11.4603 -11.4603 2.7437 2.7437 3.1269 3.1269 3.1471 3.1471 5.7379 5.7379 14.7118 14.7118 15.5417 15.5417 15.5553 15.5553 k = 0.1400 0.0808 0.0572 ( 2698 PWs) bands (ev): -46.8326 -46.8326 -46.7575 -46.7575 -18.9483 -18.9483 -18.7740 -18.7740 -18.7706 -18.7706 -18.7668 -18.7668 -18.5910 -18.5910 -18.5846 -18.5846 -11.4552 -11.4552 2.6971 2.6971 3.1259 3.1259 3.1462 3.1462 5.8187 5.8187 14.5634 14.5634 15.4691 15.4691 15.4821 15.4821 k = 0.1500 0.0866 0.0612 ( 2698 PWs) bands (ev): -46.8320 -46.8320 -46.7581 -46.7581 -18.9472 -18.9472 -18.7736 -18.7736 -18.7693 -18.7693 -18.7682 -18.7682 -18.5934 -18.5934 -18.5861 -18.5861 -11.4498 -11.4498 2.6503 2.6503 3.1249 3.1249 3.1452 3.1452 5.9021 5.9021 14.4131 14.4131 15.3957 15.3957 15.4082 15.4082 k = 0.1600 0.0924 0.0653 ( 2692 PWs) bands (ev): -46.8313 -46.8313 -46.7587 -46.7587 -18.9461 -18.9461 -18.7738 -18.7738 -18.7692 -18.7692 -18.7679 -18.7679 -18.5957 -18.5957 -18.5878 -18.5878 -11.4442 -11.4442 2.6036 2.6036 3.1238 3.1238 3.1442 3.1442 5.9877 5.9877 14.2613 14.2613 15.3222 15.3222 15.3343 15.3343 k = 0.1700 0.0981 0.0694 ( 2683 PWs) bands (ev): -46.8306 -46.8306 -46.7593 -46.7593 -18.9449 -18.9449 -18.7749 -18.7749 -18.7691 -18.7691 -18.7665 -18.7665 -18.5983 -18.5983 -18.5894 -18.5894 -11.4384 -11.4384 2.5572 2.5572 3.1227 3.1227 3.1432 3.1432 6.0752 6.0752 14.1086 14.1086 15.2490 15.2490 15.2608 15.2608 k = 0.1800 0.1039 0.0735 ( 2683 PWs) bands (ev): -46.8299 -46.8299 -46.7599 -46.7599 -18.9437 -18.9437 -18.7768 -18.7768 -18.7686 -18.7686 -18.7650 -18.7650 -18.6010 -18.6010 -18.5913 -18.5913 -11.4324 -11.4324 2.5114 2.5114 3.1216 3.1216 3.1421 3.1421 6.1646 6.1646 13.9551 13.9551 15.1766 15.1766 15.1881 15.1881 k = 0.1900 0.1097 0.0776 ( 2677 PWs) bands (ev): -46.8291 -46.8291 -46.7606 -46.7606 -18.9424 -18.9424 -18.7789 -18.7789 -18.7677 -18.7677 -18.7633 -18.7633 -18.6037 -18.6037 -18.5931 -18.5931 -11.4262 -11.4262 2.4661 2.4661 3.1204 3.1204 3.1409 3.1409 6.2556 6.2556 13.8012 13.8012 15.1053 15.1053 15.1166 15.1166 k = 0.2000 0.1155 0.0816 ( 2677 PWs) bands (ev): -46.8283 -46.8283 -46.7613 -46.7613 -18.9410 -18.9410 -18.7813 -18.7813 -18.7667 -18.7667 -18.7617 -18.7617 -18.6066 -18.6066 -18.5952 -18.5952 -11.4199 -11.4199 2.4217 2.4217 3.1192 3.1192 3.1398 3.1398 6.3479 6.3479 13.6472 13.6472 15.0354 15.0354 15.0465 15.0465 k = 0.2100 0.1212 0.0857 ( 2677 PWs) bands (ev): -46.8275 -46.8275 -46.7621 -46.7621 -18.9396 -18.9396 -18.7838 -18.7838 -18.7656 -18.7656 -18.7599 -18.7599 -18.6096 -18.6096 -18.5973 -18.5973 -11.4134 -11.4134 2.3783 2.3783 3.1180 3.1180 3.1386 3.1386 6.4416 6.4416 13.4933 13.4933 14.9669 14.9669 14.9779 14.9779 k = 0.2200 0.1270 0.0898 ( 2683 PWs) bands (ev): -46.8267 -46.8267 -46.7628 -46.7628 -18.9381 -18.9381 -18.7866 -18.7866 -18.7644 -18.7644 -18.7580 -18.7580 -18.6128 -18.6128 -18.5995 -18.5995 -11.4069 -11.4069 2.3358 2.3358 3.1167 3.1167 3.1374 3.1374 6.5364 6.5364 13.3396 13.3396 14.9002 14.9002 14.9110 14.9110 k = 0.2300 0.1328 0.0939 ( 2683 PWs) bands (ev): -46.8258 -46.8258 -46.7637 -46.7637 -18.9366 -18.9366 -18.7893 -18.7893 -18.7631 -18.7631 -18.7561 -18.7561 -18.6159 -18.6159 -18.6017 -18.6017 -11.4003 -11.4003 2.2944 2.2944 3.1155 3.1155 3.1362 3.1362 6.6322 6.6322 13.1864 13.1864 14.8352 14.8352 14.8460 14.8460 k = 0.2400 0.1386 0.0980 ( 2677 PWs) bands (ev): -46.8249 -46.8249 -46.7645 -46.7645 -18.9349 -18.9349 -18.7921 -18.7921 -18.7617 -18.7617 -18.7541 -18.7541 -18.6191 -18.6191 -18.6040 -18.6040 -11.3936 -11.3936 2.2543 2.2543 3.1142 3.1142 3.1350 3.1350 6.7290 6.7290 13.0338 13.0338 14.7722 14.7722 14.7829 14.7829 k = 0.2500 0.1443 0.1021 ( 2665 PWs) bands (ev): -46.8239 -46.8239 -46.7653 -46.7653 -18.9331 -18.9331 -18.7950 -18.7950 -18.7602 -18.7602 -18.7519 -18.7519 -18.6223 -18.6223 -18.6064 -18.6064 -11.3869 -11.3869 2.2155 2.2155 3.1130 3.1130 3.1338 3.1338 6.8267 6.8267 12.8820 12.8820 14.7112 14.7112 14.7218 14.7218 k = 0.2600 0.1501 0.1061 ( 2671 PWs) bands (ev): -46.8230 -46.8230 -46.7663 -46.7663 -18.9315 -18.9315 -18.7979 -18.7979 -18.7588 -18.7588 -18.7499 -18.7499 -18.6256 -18.6256 -18.6089 -18.6089 -11.3803 -11.3803 2.1779 2.1779 3.1117 3.1117 3.1325 3.1325 6.9251 6.9251 12.7310 12.7310 14.6522 14.6522 14.6628 14.6628 k = 0.2700 0.1559 0.1102 ( 2668 PWs) bands (ev): -46.8220 -46.8220 -46.7672 -46.7672 -18.9297 -18.9297 -18.8009 -18.8009 -18.7573 -18.7573 -18.7477 -18.7477 -18.6288 -18.6288 -18.6115 -18.6115 -11.3736 -11.3736 2.1418 2.1418 3.1104 3.1104 3.1313 3.1313 7.0242 7.0242 12.5811 12.5811 14.5954 14.5954 14.6059 14.6059 k = 0.2800 0.1617 0.1143 ( 2668 PWs) bands (ev): -46.8209 -46.8209 -46.7681 -46.7681 -18.9279 -18.9279 -18.8040 -18.8040 -18.7557 -18.7557 -18.7454 -18.7454 -18.6322 -18.6322 -18.6141 -18.6141 -11.3671 -11.3671 2.1070 2.1070 3.1092 3.1092 3.1301 3.1301 7.1240 7.1240 12.4322 12.4322 14.5408 14.5408 14.5513 14.5513 k = 0.2900 0.1674 0.1184 ( 2674 PWs) bands (ev): -46.8199 -46.8199 -46.7691 -46.7691 -18.9260 -18.9260 -18.8072 -18.8072 -18.7541 -18.7541 -18.7430 -18.7430 -18.6357 -18.6357 -18.6168 -18.6168 -11.3606 -11.3606 2.0736 2.0736 3.1079 3.1079 3.1289 3.1289 7.2245 7.2245 12.2845 12.2845 14.4884 14.4884 14.4989 14.4989 k = 0.3000 0.1732 0.1225 ( 2674 PWs) bands (ev): -46.8188 -46.8188 -46.7701 -46.7701 -18.9241 -18.9241 -18.8104 -18.8104 -18.7524 -18.7524 -18.7406 -18.7406 -18.6391 -18.6391 -18.6195 -18.6195 -11.3542 -11.3542 2.0418 2.0418 3.1067 3.1067 3.1277 3.1277 7.3255 7.3255 12.1381 12.1381 14.4383 14.4383 14.4488 14.4488 k = 0.3100 0.1790 0.1266 ( 2668 PWs) bands (ev): -46.8177 -46.8177 -46.7712 -46.7712 -18.9221 -18.9221 -18.8135 -18.8135 -18.7506 -18.7506 -18.7382 -18.7382 -18.6424 -18.6424 -18.6222 -18.6222 -11.3480 -11.3480 2.0115 2.0115 3.1055 3.1055 3.1265 3.1265 7.4271 7.4271 11.9930 11.9930 14.3905 14.3905 14.4010 14.4010 k = 0.3200 0.1848 0.1306 ( 2668 PWs) bands (ev): -46.8166 -46.8166 -46.7722 -46.7722 -18.9200 -18.9200 -18.8167 -18.8167 -18.7488 -18.7488 -18.7356 -18.7356 -18.6458 -18.6458 -18.6251 -18.6251 -11.3419 -11.3419 1.9826 1.9826 3.1044 3.1044 3.1254 3.1254 7.5293 7.5293 11.8493 11.8493 14.3450 14.3450 14.3555 14.3555 k = 0.3300 0.1905 0.1347 ( 2665 PWs) bands (ev): -46.8155 -46.8155 -46.7733 -46.7733 -18.9179 -18.9179 -18.8199 -18.8199 -18.7470 -18.7470 -18.7330 -18.7330 -18.6492 -18.6492 -18.6280 -18.6280 -11.3360 -11.3360 1.9553 1.9553 3.1032 3.1032 3.1243 3.1243 7.6320 7.6320 11.7070 11.7070 14.3019 14.3019 14.3124 14.3124 k = 0.3400 0.1963 0.1388 ( 2665 PWs) bands (ev): -46.8143 -46.8143 -46.7744 -46.7744 -18.9158 -18.9158 -18.8232 -18.8232 -18.7451 -18.7451 -18.7304 -18.7304 -18.6526 -18.6526 -18.6309 -18.6309 -11.3303 -11.3303 1.9296 1.9296 3.1021 3.1021 3.1232 3.1232 7.7353 7.7353 11.5661 11.5661 14.2612 14.2612 14.2716 14.2716 k = 0.3500 0.2021 0.1429 ( 2677 PWs) bands (ev): -46.8132 -46.8132 -46.7755 -46.7755 -18.9136 -18.9136 -18.8266 -18.8266 -18.7431 -18.7431 -18.7277 -18.7277 -18.6561 -18.6561 -18.6341 -18.6341 -11.3249 -11.3249 1.9053 1.9053 3.1011 3.1011 3.1222 3.1222 7.8391 7.8391 11.4268 11.4268 14.2228 14.2228 14.2333 14.2333 k = 0.3600 0.2078 0.1470 ( 2680 PWs) bands (ev): -46.8120 -46.8120 -46.7767 -46.7767 -18.9114 -18.9114 -18.8299 -18.8299 -18.7411 -18.7411 -18.7249 -18.7249 -18.6595 -18.6595 -18.6371 -18.6371 -11.3197 -11.3197 1.8827 1.8827 3.1000 3.1000 3.1212 3.1212 7.9435 7.9435 11.2890 11.2890 14.1869 14.1869 14.1974 14.1974 k = 0.3700 0.2136 0.1511 ( 2674 PWs) bands (ev): -46.8108 -46.8108 -46.7778 -46.7778 -18.9090 -18.9090 -18.8331 -18.8331 -18.7389 -18.7389 -18.7221 -18.7221 -18.6629 -18.6629 -18.6402 -18.6402 -11.3147 -11.3147 1.8616 1.8616 3.0991 3.0991 3.1203 3.1203 8.0484 8.0484 11.1528 11.1528 14.1534 14.1534 14.1639 14.1639 k = 0.3800 0.2194 0.1551 ( 2674 PWs) bands (ev): -46.8095 -46.8095 -46.7790 -46.7790 -18.9067 -18.9067 -18.8364 -18.8364 -18.7368 -18.7368 -18.7193 -18.7193 -18.6662 -18.6662 -18.6433 -18.6433 -11.3101 -11.3101 1.8421 1.8421 3.0982 3.0982 3.1194 3.1194 8.1538 8.1538 11.0182 11.0182 14.1223 14.1223 14.1328 14.1328 k = 0.3900 0.2252 0.1592 ( 2674 PWs) bands (ev): -46.8083 -46.8083 -46.7802 -46.7802 -18.9044 -18.9044 -18.8396 -18.8396 -18.7347 -18.7347 -18.7164 -18.7164 -18.6694 -18.6694 -18.6464 -18.6464 -11.3057 -11.3057 1.8241 1.8241 3.0974 3.0974 3.1186 3.1186 8.2599 8.2599 10.8852 10.8852 14.0937 14.0937 14.1042 14.1042 k = 0.4000 0.2309 0.1633 ( 2686 PWs) bands (ev): -46.8070 -46.8070 -46.7814 -46.7814 -18.9021 -18.9021 -18.8428 -18.8428 -18.7327 -18.7327 -18.7135 -18.7135 -18.6727 -18.6727 -18.6496 -18.6496 -11.3017 -11.3017 1.8077 1.8077 3.0966 3.0966 3.1178 3.1178 8.3664 8.3664 10.7539 10.7539 14.0675 14.0675 14.0781 14.0781 k = 0.4100 0.2367 0.1674 ( 2671 PWs) bands (ev): -46.8058 -46.8058 -46.7826 -46.7826 -18.8995 -18.8995 -18.8460 -18.8460 -18.7302 -18.7302 -18.7103 -18.7103 -18.6759 -18.6759 -18.6528 -18.6528 -11.2980 -11.2980 1.7929 1.7929 3.0959 3.0959 3.1172 3.1172 8.4736 8.4736 10.6243 10.6243 14.0439 14.0439 14.0544 14.0544 k = 0.4200 0.2425 0.1715 ( 2671 PWs) bands (ev): -46.8045 -46.8045 -46.7839 -46.7839 -18.8970 -18.8970 -18.8492 -18.8492 -18.7280 -18.7280 -18.7073 -18.7073 -18.6790 -18.6790 -18.6560 -18.6560 -11.2947 -11.2947 1.7796 1.7796 3.0953 3.0953 3.1165 3.1165 8.5812 8.5812 10.4965 10.4965 14.0226 14.0226 14.0332 14.0332 k = 0.4300 0.2483 0.1755 ( 2665 PWs) bands (ev): -46.8032 -46.8032 -46.7851 -46.7851 -18.8945 -18.8945 -18.8522 -18.8522 -18.7257 -18.7257 -18.7043 -18.7043 -18.6820 -18.6820 -18.6591 -18.6591 -11.2917 -11.2917 1.7679 1.7679 3.0947 3.0947 3.1160 3.1160 8.6893 8.6893 10.3705 10.3705 14.0039 14.0039 14.0145 14.0145 k = 0.4400 0.2540 0.1796 ( 2671 PWs) bands (ev): -46.8019 -46.8019 -46.7864 -46.7864 -18.8920 -18.8920 -18.8553 -18.8553 -18.7234 -18.7234 -18.7012 -18.7012 -18.6850 -18.6850 -18.6624 -18.6624 -11.2891 -11.2891 1.7578 1.7578 3.0942 3.0942 3.1155 3.1155 8.7977 8.7977 10.2466 10.2466 13.9877 13.9877 13.9982 13.9982 k = 0.4500 0.2598 0.1837 ( 2671 PWs) bands (ev): -46.8006 -46.8006 -46.7876 -46.7876 -18.8895 -18.8895 -18.8583 -18.8583 -18.7212 -18.7212 -18.6981 -18.6981 -18.6878 -18.6878 -18.6656 -18.6656 -11.2869 -11.2869 1.7492 1.7492 3.0937 3.0937 3.1151 3.1151 8.9061 8.9061 10.1250 10.1250 13.9739 13.9739 13.9845 13.9845 k = 0.4600 0.2656 0.1878 ( 2665 PWs) bands (ev): -46.7993 -46.7993 -46.7889 -46.7889 -18.8870 -18.8870 -18.8610 -18.8610 -18.7190 -18.7190 -18.6950 -18.6950 -18.6903 -18.6903 -18.6688 -18.6688 -11.2851 -11.2851 1.7422 1.7422 3.0934 3.0934 3.1147 3.1147 9.0139 9.0139 10.0064 10.0064 13.9627 13.9627 13.9733 13.9733 k = 0.4700 0.2714 0.1919 ( 2665 PWs) bands (ev): -46.7980 -46.7980 -46.7902 -46.7902 -18.8846 -18.8846 -18.8637 -18.8637 -18.7170 -18.7170 -18.6927 -18.6927 -18.6919 -18.6919 -18.6719 -18.6719 -11.2836 -11.2836 1.7368 1.7368 3.0931 3.0931 3.1144 3.1144 9.1199 9.1199 9.8920 9.8920 13.9539 13.9539 13.9645 13.9645 k = 0.4800 0.2771 0.1960 ( 2665 PWs) bands (ev): -46.7967 -46.7967 -46.7915 -46.7915 -18.8824 -18.8824 -18.8661 -18.8661 -18.7152 -18.7152 -18.6947 -18.6947 -18.6889 -18.6889 -18.6750 -18.6750 -11.2826 -11.2826 1.7329 1.7329 3.0929 3.0929 3.1142 3.1142 9.2205 9.2205 9.7853 9.7853 13.9477 13.9477 13.9583 13.9583 k = 0.4900 0.2829 0.2000 ( 2665 PWs) bands (ev): -46.7954 -46.7954 -46.7928 -46.7928 -18.8807 -18.8807 -18.8679 -18.8679 -18.7140 -18.7140 -18.6961 -18.6961 -18.6861 -18.6861 -18.6779 -18.6779 -11.2820 -11.2820 1.7306 1.7306 3.0928 3.0928 3.1141 3.1141 9.3057 9.3057 9.6965 9.6965 13.9439 13.9439 13.9545 13.9545 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8799 -18.8799 -18.8685 -18.8685 -18.7134 -18.7134 -18.6964 -18.6964 -18.6843 -18.6843 -18.6792 -18.6792 -11.2818 -11.2818 1.7298 1.7298 3.0928 3.0928 3.1142 3.1142 9.3445 9.3445 9.6565 9.6565 13.9427 13.9427 13.9533 13.9533 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8799 -18.8799 -18.8685 -18.8685 -18.7134 -18.7134 -18.6964 -18.6964 -18.6843 -18.6843 -18.6792 -18.6792 -11.2818 -11.2818 1.7298 1.7298 3.0928 3.0928 3.1142 3.1142 9.3445 9.3445 9.6565 9.6565 13.9427 13.9427 13.9533 13.9533 k = 0.5036 0.2784 0.2100 ( 2660 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8802 -18.8802 -18.8687 -18.8687 -18.7140 -18.7140 -18.6972 -18.6972 -18.6839 -18.6839 -18.6786 -18.6786 -11.2817 -11.2817 1.7305 1.7305 3.0921 3.0921 3.1134 3.1134 9.3435 9.3435 9.6592 9.6592 13.9401 13.9401 13.9519 13.9519 k = 0.5071 0.2681 0.2158 ( 2661 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8808 -18.8808 -18.8692 -18.8692 -18.7152 -18.7152 -18.6989 -18.6989 -18.6822 -18.6822 -18.6765 -18.6765 -11.2814 -11.2814 1.7326 1.7326 3.0898 3.0898 3.1115 3.1115 9.3406 9.3406 9.6671 9.6671 13.9283 13.9283 13.9520 13.9520 k = 0.5107 0.2577 0.2216 ( 2665 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8819 -18.8819 -18.8698 -18.8698 -18.7170 -18.7170 -18.7012 -18.7012 -18.6797 -18.6797 -18.6735 -18.6735 -11.2810 -11.2810 1.7361 1.7361 3.0856 3.0856 3.1088 3.1088 9.3358 9.3358 9.6803 9.6803 13.9063 13.9063 13.9549 13.9549 k = 0.5143 0.2474 0.2275 ( 2665 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8833 -18.8833 -18.8708 -18.8708 -18.7191 -18.7191 -18.7036 -18.7036 -18.6766 -18.6766 -18.6700 -18.6700 -11.2803 -11.2803 1.7410 1.7410 3.0791 3.0791 3.1058 3.1058 9.3290 9.3290 9.6988 9.6988 13.8757 13.8757 13.9596 13.9596 k = 0.5179 0.2371 0.2333 ( 2670 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8851 -18.8851 -18.8720 -18.8720 -18.7214 -18.7214 -18.7060 -18.7060 -18.6731 -18.6731 -18.6663 -18.6663 -11.2795 -11.2795 1.7472 1.7472 3.0698 3.0698 3.1028 3.1028 9.3204 9.3204 9.7223 9.7223 13.8375 13.8375 13.9657 13.9657 k = 0.5214 0.2268 0.2391 ( 2668 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8872 -18.8872 -18.8734 -18.8734 -18.7239 -18.7239 -18.7082 -18.7082 -18.6695 -18.6695 -18.6621 -18.6621 -11.2785 -11.2785 1.7549 1.7549 3.0580 3.0580 3.1000 3.1000 9.3099 9.3099 9.7509 9.7509 13.7925 13.7925 13.9732 13.9732 k = 0.5250 0.2165 0.2449 ( 2672 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8897 -18.8897 -18.8750 -18.8750 -18.7264 -18.7264 -18.7101 -18.7101 -18.6659 -18.6659 -18.6578 -18.6578 -11.2774 -11.2774 1.7638 1.7638 3.0438 3.0438 3.0970 3.0970 9.2976 9.2976 9.7844 9.7844 13.7416 13.7416 13.9819 13.9819 k = 0.5286 0.2062 0.2508 ( 2674 PWs) bands (ev): -46.7942 -46.7942 -46.7940 -46.7940 -18.8925 -18.8925 -18.8769 -18.8769 -18.7291 -18.7291 -18.7115 -18.7115 -18.6621 -18.6621 -18.6533 -18.6533 -11.2761 -11.2761 1.7741 1.7741 3.0274 3.0274 3.0940 3.0940 9.2835 9.2835 9.8226 9.8226 13.6859 13.6859 13.9918 13.9918 k = 0.5321 0.1959 0.2566 ( 2672 PWs) bands (ev): -46.7942 -46.7942 -46.7939 -46.7939 -18.8955 -18.8955 -18.8789 -18.8789 -18.7319 -18.7319 -18.7126 -18.7126 -18.6584 -18.6584 -18.6486 -18.6486 -11.2746 -11.2746 1.7857 1.7857 3.0090 3.0090 3.0908 3.0908 9.2677 9.2677 9.8654 9.8654 13.6262 13.6262 14.0028 14.0028 k = 0.5357 0.1856 0.2624 ( 2669 PWs) bands (ev): -46.7942 -46.7942 -46.7939 -46.7939 -18.8988 -18.8988 -18.8810 -18.8810 -18.7348 -18.7348 -18.7133 -18.7133 -18.6548 -18.6548 -18.6438 -18.6438 -11.2730 -11.2730 1.7985 1.7985 2.9887 2.9887 3.0874 3.0874 9.2502 9.2502 9.9127 9.9127 13.5633 13.5633 14.0147 14.0147 k = 0.5393 0.1753 0.2683 ( 2671 PWs) bands (ev): -46.7943 -46.7943 -46.7938 -46.7938 -18.9024 -18.9024 -18.8833 -18.8833 -18.7378 -18.7378 -18.7136 -18.7136 -18.6512 -18.6512 -18.6390 -18.6390 -11.2713 -11.2713 1.8126 1.8126 2.9668 2.9668 3.0838 3.0838 9.2311 9.2311 9.9641 9.9641 13.4980 13.4980 14.0276 14.0276 k = 0.5429 0.1650 0.2741 ( 2671 PWs) bands (ev): -46.7943 -46.7943 -46.7938 -46.7938 -18.9062 -18.9062 -18.8856 -18.8856 -18.7409 -18.7409 -18.7136 -18.7136 -18.6476 -18.6476 -18.6342 -18.6342 -11.2694 -11.2694 1.8278 1.8278 2.9434 2.9434 3.0801 3.0801 9.2104 9.2104 10.0197 10.0197 13.4310 13.4310 14.0413 14.0413 k = 0.5464 0.1546 0.2799 ( 2668 PWs) bands (ev): -46.7944 -46.7944 -46.7937 -46.7937 -18.9101 -18.9101 -18.8880 -18.8880 -18.7440 -18.7440 -18.7132 -18.7132 -18.6441 -18.6441 -18.6293 -18.6293 -11.2675 -11.2675 1.8443 1.8443 2.9186 2.9186 3.0760 3.0760 9.1883 9.1883 10.0791 10.0791 13.3630 13.3630 14.0557 14.0557 k = 0.5500 0.1443 0.2858 ( 2666 PWs) bands (ev): -46.7944 -46.7944 -46.7936 -46.7936 -18.9142 -18.9142 -18.8905 -18.8905 -18.7472 -18.7472 -18.7125 -18.7125 -18.6406 -18.6406 -18.6246 -18.6246 -11.2654 -11.2654 1.8618 1.8618 2.8927 2.8927 3.0718 3.0718 9.1647 9.1647 10.1421 10.1421 13.2945 13.2945 14.0707 14.0707 k = 0.5536 0.1340 0.2916 ( 2672 PWs) bands (ev): -46.7945 -46.7945 -46.7935 -46.7935 -18.9184 -18.9184 -18.8931 -18.8931 -18.7504 -18.7504 -18.7117 -18.7117 -18.6372 -18.6372 -18.6200 -18.6200 -11.2632 -11.2632 1.8803 1.8803 2.8656 2.8656 3.0674 3.0674 9.1399 9.1399 10.2085 10.2085 13.2259 13.2259 14.0862 14.0862 k = 0.5571 0.1237 0.2974 ( 2670 PWs) bands (ev): -46.7946 -46.7946 -46.7934 -46.7934 -18.9227 -18.9227 -18.8955 -18.8955 -18.7535 -18.7535 -18.7106 -18.7106 -18.6338 -18.6338 -18.6155 -18.6155 -11.2610 -11.2610 1.8999 1.8999 2.8378 2.8378 3.0629 3.0629 9.1138 9.1138 10.2782 10.2782 13.1578 13.1578 14.1021 14.1021 k = 0.5607 0.1134 0.3033 ( 2671 PWs) bands (ev): -46.7947 -46.7947 -46.7932 -46.7932 -18.9270 -18.9270 -18.8981 -18.8981 -18.7565 -18.7565 -18.7094 -18.7094 -18.6305 -18.6305 -18.6110 -18.6110 -11.2587 -11.2587 1.9204 1.9204 2.8092 2.8092 3.0582 3.0582 9.0866 9.0866 10.3507 10.3507 13.0905 13.0905 14.1183 14.1183 k = 0.5643 0.1031 0.3091 ( 2670 PWs) bands (ev): -46.7948 -46.7948 -46.7931 -46.7931 -18.9313 -18.9313 -18.9006 -18.9006 -18.7596 -18.7596 -18.7080 -18.7080 -18.6273 -18.6273 -18.6068 -18.6068 -11.2564 -11.2564 1.9418 1.9418 2.7800 2.7800 3.0534 3.0534 9.0584 9.0584 10.4260 10.4260 13.0243 13.0243 14.1347 14.1347 k = 0.5679 0.0928 0.3149 ( 2670 PWs) bands (ev): -46.7949 -46.7949 -46.7929 -46.7929 -18.9356 -18.9356 -18.9031 -18.9031 -18.7626 -18.7626 -18.7064 -18.7064 -18.6240 -18.6240 -18.6026 -18.6026 -11.2541 -11.2541 1.9639 1.9639 2.7505 2.7505 3.0485 3.0485 9.0293 9.0293 10.5037 10.5037 12.9594 12.9594 14.1511 14.1511 k = 0.5714 0.0825 0.3208 ( 2670 PWs) bands (ev): -46.7951 -46.7951 -46.7927 -46.7927 -18.9399 -18.9399 -18.9055 -18.9055 -18.7656 -18.7656 -18.7048 -18.7048 -18.6209 -18.6209 -18.5987 -18.5987 -11.2517 -11.2517 1.9868 1.9868 2.7208 2.7208 3.0434 3.0434 8.9994 8.9994 10.5837 10.5837 12.8960 12.8960 14.1676 14.1676 k = 0.5750 0.0722 0.3266 ( 2669 PWs) bands (ev): -46.7952 -46.7952 -46.7925 -46.7925 -18.9441 -18.9441 -18.9080 -18.9080 -18.7685 -18.7685 -18.7031 -18.7031 -18.6178 -18.6178 -18.5949 -18.5949 -11.2493 -11.2493 2.0102 2.0102 2.6910 2.6910 3.0384 3.0384 8.9689 8.9689 10.6656 10.6656 12.8345 12.8345 14.1840 14.1840 k = 0.5786 0.0619 0.3324 ( 2673 PWs) bands (ev): -46.7954 -46.7954 -46.7923 -46.7923 -18.9482 -18.9482 -18.9104 -18.9104 -18.7714 -18.7714 -18.7013 -18.7013 -18.6148 -18.6148 -18.5913 -18.5913 -11.2470 -11.2470 2.0341 2.0341 2.6613 2.6613 3.0332 3.0332 8.9377 8.9377 10.7493 10.7493 12.7747 12.7747 14.2003 14.2003 k = 0.5821 0.0515 0.3383 ( 2671 PWs) bands (ev): -46.7956 -46.7956 -46.7921 -46.7921 -18.9521 -18.9521 -18.9127 -18.9127 -18.7741 -18.7741 -18.6995 -18.6995 -18.6119 -18.6119 -18.5880 -18.5880 -11.2447 -11.2447 2.0584 2.0584 2.6320 2.6320 3.0281 3.0281 8.9061 8.9061 10.8344 10.8344 12.7171 12.7171 14.2163 14.2163 k = 0.5857 0.0412 0.3441 ( 2671 PWs) bands (ev): -46.7958 -46.7958 -46.7919 -46.7919 -18.9559 -18.9559 -18.9150 -18.9150 -18.7768 -18.7768 -18.6977 -18.6977 -18.6090 -18.6090 -18.5848 -18.5848 -11.2424 -11.2424 2.0829 2.0829 2.6032 2.6032 3.0230 3.0230 8.8742 8.8742 10.9207 10.9207 12.6615 12.6615 14.2321 14.2321 k = 0.5893 0.0309 0.3499 ( 2669 PWs) bands (ev): -46.7961 -46.7961 -46.7916 -46.7916 -18.9595 -18.9595 -18.9173 -18.9173 -18.7795 -18.7795 -18.6958 -18.6958 -18.6062 -18.6062 -18.5818 -18.5818 -11.2402 -11.2402 2.1072 2.1072 2.5752 2.5752 3.0178 3.0178 8.8421 8.8421 11.0079 11.0079 12.6081 12.6081 14.2476 14.2476 k = 0.5929 0.0206 0.3558 ( 2668 PWs) bands (ev): -46.7963 -46.7963 -46.7913 -46.7913 -18.9630 -18.9630 -18.9195 -18.9195 -18.7820 -18.7820 -18.6939 -18.6939 -18.6034 -18.6034 -18.5791 -18.5791 -11.2381 -11.2381 2.1312 2.1312 2.5484 2.5484 3.0128 3.0128 8.8098 8.8098 11.0958 11.0958 12.5570 12.5570 14.2627 14.2627 k = 0.5964 0.0103 0.3616 ( 2662 PWs) bands (ev): -46.7966 -46.7966 -46.7910 -46.7910 -18.9662 -18.9662 -18.9216 -18.9216 -18.7844 -18.7844 -18.6919 -18.6919 -18.6007 -18.6007 -18.5766 -18.5766 -11.2361 -11.2361 2.1545 2.1545 2.5231 2.5231 3.0078 3.0078 8.7776 8.7776 11.1839 11.1839 12.5082 12.5082 14.2775 14.2775 k = 0.6000-0.0000 0.3674 ( 2658 PWs) bands (ev): -46.7969 -46.7969 -46.7907 -46.7907 -18.9691 -18.9691 -18.9236 -18.9236 -18.7868 -18.7868 -18.6900 -18.6900 -18.5981 -18.5981 -18.5744 -18.5744 -11.2342 -11.2342 2.1764 2.1764 2.5001 2.5001 3.0029 3.0029 8.7454 8.7454 11.2720 11.2720 12.4619 12.4619 14.2919 14.2919 k = 0.6036-0.0103 0.3733 ( 2658 PWs) bands (ev): -46.7972 -46.7972 -46.7904 -46.7904 -18.9719 -18.9719 -18.9257 -18.9257 -18.7891 -18.7891 -18.6881 -18.6881 -18.5956 -18.5956 -18.5724 -18.5724 -11.2325 -11.2325 2.1961 2.1961 2.4800 2.4800 2.9980 2.9980 8.7135 8.7135 11.3598 11.3598 12.4182 12.4182 14.3059 14.3059 k = 0.6071-0.0206 0.3791 ( 2658 PWs) bands (ev): -46.7975 -46.7975 -46.7900 -46.7900 -18.9744 -18.9744 -18.9276 -18.9276 -18.7914 -18.7914 -18.6862 -18.6862 -18.5931 -18.5931 -18.5706 -18.5706 -11.2308 -11.2308 2.2124 2.2124 2.4642 2.4642 2.9933 2.9933 8.6818 8.6818 11.4467 11.4467 12.3772 12.3772 14.3196 14.3196 k = 0.6107-0.0309 0.3849 ( 2658 PWs) bands (ev): -46.7978 -46.7978 -46.7896 -46.7896 -18.9767 -18.9767 -18.9295 -18.9295 -18.7935 -18.7935 -18.6843 -18.6843 -18.5907 -18.5907 -18.5692 -18.5692 -11.2294 -11.2294 2.2239 2.2239 2.4541 2.4541 2.9888 2.9888 8.6505 8.6505 11.5322 11.5322 12.3393 12.3393 14.3328 14.3328 k = 0.6143-0.0412 0.3908 ( 2653 PWs) bands (ev): -46.7982 -46.7982 -46.7893 -46.7893 -18.9786 -18.9786 -18.9313 -18.9313 -18.7955 -18.7955 -18.6824 -18.6824 -18.5884 -18.5884 -18.5679 -18.5679 -11.2281 -11.2281 2.2293 2.2293 2.4509 2.4509 2.9844 2.9844 8.6196 8.6196 11.6155 11.6155 12.3049 12.3049 14.3458 14.3458 k = 0.6179-0.0515 0.3966 ( 2657 PWs) bands (ev): -46.7986 -46.7986 -46.7889 -46.7889 -18.9804 -18.9804 -18.9331 -18.9331 -18.7975 -18.7975 -18.6806 -18.6806 -18.5862 -18.5862 -18.5670 -18.5670 -11.2270 -11.2270 2.2280 2.2280 2.4551 2.4551 2.9802 2.9802 8.5892 8.5892 11.6956 11.6956 12.2750 12.2750 14.3584 14.3584 k = 0.6214-0.0619 0.4024 ( 2655 PWs) bands (ev): -46.7990 -46.7990 -46.7884 -46.7884 -18.9818 -18.9818 -18.9347 -18.9347 -18.7993 -18.7993 -18.6788 -18.6788 -18.5840 -18.5840 -18.5662 -18.5662 -11.2261 -11.2261 2.2210 2.2210 2.4659 2.4659 2.9762 2.9762 8.5593 8.5593 11.7705 11.7705 12.2512 12.2512 14.3707 14.3707 k = 0.6250-0.0722 0.4082 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9363 -18.9363 -18.8011 -18.8011 -18.6770 -18.6770 -18.5820 -18.5820 -18.5658 -18.5658 -11.2255 -11.2255 2.2098 2.2098 2.4818 2.4818 2.9724 2.9724 8.5299 8.5299 11.8372 11.8372 12.2363 12.2363 14.3828 14.3828 k = 0.6250-0.0722 0.4082 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9363 -18.9363 -18.8011 -18.8011 -18.6770 -18.6770 -18.5820 -18.5820 -18.5658 -18.5658 -11.2255 -11.2255 2.2098 2.2098 2.4818 2.4818 2.9724 2.9724 8.5299 8.5299 11.8372 11.8372 12.2363 12.2363 14.3828 14.3828 k = 0.6190-0.0687 0.4180 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9364 -18.9364 -18.8009 -18.8009 -18.6772 -18.6772 -18.5819 -18.5819 -18.5658 -18.5658 -11.2254 -11.2254 2.2103 2.2103 2.4820 2.4820 2.9715 2.9715 8.5304 8.5304 11.8390 11.8390 12.2366 12.2366 14.3678 14.3678 k = 0.6131-0.0653 0.4277 ( 2660 PWs) bands (ev): -46.7993 -46.7993 -46.7881 -46.7881 -18.9829 -18.9829 -18.9367 -18.9367 -18.8003 -18.8003 -18.6779 -18.6779 -18.5816 -18.5816 -18.5659 -18.5659 -11.2254 -11.2254 2.2119 2.2119 2.4824 2.4824 2.9686 2.9686 8.5320 8.5320 11.8441 11.8441 12.2374 12.2374 14.3253 14.3253 k = 0.6071-0.0619 0.4374 ( 2655 PWs) bands (ev): -46.7993 -46.7993 -46.7881 -46.7881 -18.9828 -18.9828 -18.9371 -18.9371 -18.7993 -18.7993 -18.6790 -18.6790 -18.5810 -18.5810 -18.5659 -18.5659 -11.2252 -11.2252 2.2145 2.2145 2.4832 2.4832 2.9639 2.9639 8.5346 8.5346 11.8528 11.8528 12.2388 12.2388 14.2606 14.2606 k = 0.6012-0.0584 0.4471 ( 2659 PWs) bands (ev): -46.7992 -46.7992 -46.7882 -46.7882 -18.9828 -18.9828 -18.9378 -18.9378 -18.7980 -18.7980 -18.6805 -18.6805 -18.5804 -18.5804 -18.5659 -18.5659 -11.2251 -11.2251 2.2181 2.2181 2.4841 2.4841 2.9574 2.9574 8.5381 8.5381 11.8648 11.8648 12.2408 12.2408 14.1801 14.1801 k = 0.5952-0.0550 0.4568 ( 2659 PWs) bands (ev): -46.7991 -46.7991 -46.7884 -46.7884 -18.9828 -18.9828 -18.9385 -18.9385 -18.7963 -18.7963 -18.6824 -18.6824 -18.5796 -18.5796 -18.5660 -18.5660 -11.2249 -11.2249 2.2227 2.2227 2.4853 2.4853 2.9492 2.9492 8.5425 8.5425 11.8802 11.8802 12.2434 12.2434 14.0890 14.0890 k = 0.5893-0.0515 0.4666 ( 2655 PWs) bands (ev): -46.7989 -46.7989 -46.7885 -46.7885 -18.9827 -18.9827 -18.9393 -18.9393 -18.7943 -18.7943 -18.6846 -18.6846 -18.5787 -18.5787 -18.5660 -18.5660 -11.2246 -11.2246 2.2283 2.2283 2.4867 2.4867 2.9394 2.9394 8.5478 8.5478 11.8989 11.8989 12.2465 12.2465 13.9910 13.9910 k = 0.5833-0.0481 0.4763 ( 2659 PWs) bands (ev): -46.7987 -46.7987 -46.7887 -46.7887 -18.9827 -18.9827 -18.9403 -18.9403 -18.7920 -18.7920 -18.6872 -18.6872 -18.5777 -18.5777 -18.5660 -18.5660 -11.2243 -11.2243 2.2348 2.2348 2.4881 2.4881 2.9282 2.9282 8.5537 8.5537 11.9209 11.9209 12.2503 12.2503 13.8890 13.8890 k = 0.5774-0.0447 0.4860 ( 2659 PWs) bands (ev): -46.7985 -46.7985 -46.7889 -46.7889 -18.9826 -18.9826 -18.9413 -18.9413 -18.7894 -18.7894 -18.6900 -18.6900 -18.5766 -18.5766 -18.5661 -18.5661 -11.2240 -11.2240 2.2424 2.2424 2.4895 2.4895 2.9158 2.9158 8.5603 8.5603 11.9461 11.9461 12.2548 12.2548 13.7848 13.7848 k = 0.5714-0.0412 0.4957 ( 2663 PWs) bands (ev): -46.7983 -46.7983 -46.7891 -46.7891 -18.9826 -18.9826 -18.9423 -18.9423 -18.7866 -18.7866 -18.6932 -18.6932 -18.5756 -18.5756 -18.5661 -18.5661 -11.2236 -11.2236 2.2509 2.2509 2.4907 2.4907 2.9023 2.9023 8.5673 8.5673 11.9743 11.9743 12.2599 12.2599 13.6798 13.6798 k = 0.5655-0.0378 0.5055 ( 2660 PWs) bands (ev): -46.7981 -46.7981 -46.7893 -46.7893 -18.9825 -18.9825 -18.9434 -18.9434 -18.7835 -18.7835 -18.6965 -18.6965 -18.5744 -18.5744 -18.5662 -18.5662 -11.2233 -11.2233 2.2603 2.2603 2.4916 2.4916 2.8882 2.8882 8.5747 8.5747 12.0056 12.0056 12.2657 12.2657 13.5749 13.5749 k = 0.5595-0.0344 0.5152 ( 2662 PWs) bands (ev): -46.7978 -46.7978 -46.7896 -46.7896 -18.9825 -18.9825 -18.9444 -18.9444 -18.7802 -18.7802 -18.7000 -18.7000 -18.5734 -18.5734 -18.5663 -18.5663 -11.2229 -11.2229 2.2706 2.2706 2.4920 2.4920 2.8735 2.8735 8.5822 8.5822 12.0396 12.0396 12.2722 12.2722 13.4710 13.4710 k = 0.5536-0.0309 0.5249 ( 2662 PWs) bands (ev): -46.7975 -46.7975 -46.7899 -46.7899 -18.9825 -18.9825 -18.9454 -18.9454 -18.7767 -18.7767 -18.7037 -18.7037 -18.5723 -18.5723 -18.5663 -18.5663 -11.2225 -11.2225 2.2817 2.2817 2.4917 2.4917 2.8587 2.8587 8.5898 8.5898 12.0764 12.0764 12.2795 12.2795 13.3687 13.3687 k = 0.5476-0.0275 0.5346 ( 2664 PWs) bands (ev): -46.7972 -46.7972 -46.7902 -46.7902 -18.9825 -18.9825 -18.9463 -18.9463 -18.7731 -18.7731 -18.7076 -18.7076 -18.5713 -18.5713 -18.5664 -18.5664 -11.2221 -11.2221 2.2937 2.2937 2.4904 2.4904 2.8441 2.8441 8.5973 8.5973 12.1156 12.1156 12.2876 12.2876 13.2686 13.2686 k = 0.5417-0.0241 0.5443 ( 2666 PWs) bands (ev): -46.7968 -46.7968 -46.7906 -46.7906 -18.9825 -18.9825 -18.9471 -18.9471 -18.7694 -18.7694 -18.7115 -18.7115 -18.5704 -18.5704 -18.5665 -18.5665 -11.2217 -11.2217 2.3064 2.3064 2.4879 2.4879 2.8302 2.8302 8.6045 8.6045 12.1569 12.1569 12.2966 12.2966 13.1711 13.1711 k = 0.5357-0.0206 0.5541 ( 2668 PWs) bands (ev): -46.7964 -46.7964 -46.7910 -46.7910 -18.9826 -18.9826 -18.9479 -18.9479 -18.7656 -18.7656 -18.7155 -18.7155 -18.5695 -18.5695 -18.5665 -18.5665 -11.2214 -11.2214 2.3199 2.3199 2.4838 2.4838 2.8174 2.8174 8.6112 8.6112 12.2000 12.2000 12.3064 12.3064 13.0769 13.0769 k = 0.5298-0.0172 0.5638 ( 2670 PWs) bands (ev): -46.7960 -46.7960 -46.7914 -46.7914 -18.9827 -18.9827 -18.9485 -18.9485 -18.7617 -18.7617 -18.7196 -18.7196 -18.5688 -18.5688 -18.5666 -18.5666 -11.2211 -11.2211 2.3341 2.3341 2.4779 2.4779 2.8060 2.8060 8.6173 8.6173 12.2440 12.2440 12.3173 12.3173 12.9867 12.9867 k = 0.5238-0.0137 0.5735 ( 2674 PWs) bands (ev): -46.7956 -46.7956 -46.7918 -46.7918 -18.9828 -18.9828 -18.9491 -18.9491 -18.7577 -18.7577 -18.7238 -18.7238 -18.5682 -18.5682 -18.5667 -18.5667 -11.2208 -11.2208 2.3490 2.3490 2.4699 2.4699 2.7965 2.7965 8.6227 8.6227 12.2880 12.2880 12.3292 12.3292 12.9018 12.9018 k = 0.5179-0.0103 0.5832 ( 2674 PWs) bands (ev): -46.7952 -46.7952 -46.7923 -46.7923 -18.9829 -18.9829 -18.9494 -18.9494 -18.7537 -18.7537 -18.7279 -18.7279 -18.5677 -18.5677 -18.5667 -18.5667 -11.2205 -11.2205 2.3644 2.3644 2.4598 2.4598 2.7890 2.7890 8.6271 8.6271 12.3291 12.3291 12.3430 12.3430 12.8242 12.8242 k = 0.5119-0.0069 0.5929 ( 2674 PWs) bands (ev): -46.7947 -46.7947 -46.7927 -46.7927 -18.9830 -18.9830 -18.9497 -18.9497 -18.7497 -18.7497 -18.7321 -18.7321 -18.5673 -18.5673 -18.5668 -18.5668 -11.2203 -11.2203 2.3803 2.3803 2.4475 2.4475 2.7837 2.7837 8.6305 8.6305 12.3538 12.3538 12.3681 12.3681 12.7580 12.7580 k = 0.5060-0.0034 0.6027 ( 2656 PWs) bands (ev): -46.7942 -46.7942 -46.7932 -46.7932 -18.9829 -18.9829 -18.9497 -18.9497 -18.7456 -18.7456 -18.7359 -18.7359 -18.5670 -18.5670 -18.5667 -18.5667 -11.2202 -11.2202 2.3962 2.3962 2.4338 2.4338 2.7807 2.7807 8.6326 8.6326 12.3692 12.3692 12.3899 12.3899 12.7111 12.7111 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9829 -18.9829 -18.9497 -18.9497 -18.7432 -18.7432 -18.7384 -18.7384 -18.5669 -18.5669 -18.5667 -18.5667 -11.2202 -11.2202 2.4070 2.4070 2.4236 2.4236 2.7797 2.7797 8.6333 8.6333 12.3818 12.3818 12.3911 12.3911 12.6941 12.6941 k = 0.5000-0.0000 0.6124 ( 2656 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9829 -18.9829 -18.9497 -18.9497 -18.7432 -18.7432 -18.7384 -18.7384 -18.5669 -18.5669 -18.5667 -18.5667 -11.2202 -11.2202 2.4070 2.4070 2.4236 2.4236 2.7797 2.7797 8.6333 8.6333 12.3818 12.3818 12.3911 12.3911 12.6941 12.6941 k = 0.5000 0.0070 0.6024 ( 2656 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9828 -18.9828 -18.9496 -18.9496 -18.7432 -18.7432 -18.7384 -18.7384 -18.5670 -18.5670 -18.5668 -18.5668 -11.2203 -11.2203 2.4062 2.4062 2.4231 2.4231 2.7813 2.7813 8.6345 8.6345 12.3573 12.3573 12.3884 12.3884 12.7218 12.7218 k = 0.5000 0.0141 0.5925 ( 2670 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9826 -18.9826 -18.9494 -18.9494 -18.7433 -18.7433 -18.7384 -18.7384 -18.5674 -18.5674 -18.5672 -18.5672 -11.2205 -11.2205 2.4024 2.4024 2.4229 2.4229 2.7862 2.7862 8.6378 8.6378 12.2909 12.2909 12.3918 12.3918 12.7865 12.7865 k = 0.5000 0.0211 0.5825 ( 2674 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9820 -18.9820 -18.9490 -18.9490 -18.7433 -18.7433 -18.7383 -18.7383 -18.5680 -18.5680 -18.5677 -18.5677 -11.2210 -11.2210 2.3939 2.3939 2.4254 2.4254 2.7938 2.7938 8.6434 8.6434 12.2079 12.2079 12.3982 12.3982 12.8659 12.8659 k = 0.5000 0.0282 0.5725 ( 2666 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9810 -18.9810 -18.9482 -18.9482 -18.7433 -18.7433 -18.7382 -18.7382 -18.5687 -18.5687 -18.5683 -18.5683 -11.2216 -11.2216 2.3810 2.3810 2.4307 2.4307 2.8039 2.8039 8.6511 8.6511 12.1180 12.1180 12.4072 12.4072 12.9506 12.9506 k = 0.5000 0.0352 0.5626 ( 2670 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9800 -18.9800 -18.9473 -18.9473 -18.7433 -18.7433 -18.7381 -18.7381 -18.5696 -18.5696 -18.5692 -18.5692 -11.2224 -11.2224 2.3647 2.3647 2.4380 2.4380 2.8157 2.8157 8.6610 8.6610 12.0248 12.0248 12.4189 12.4189 13.0368 13.0368 k = 0.5000 0.0422 0.5526 ( 2668 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9786 -18.9786 -18.9461 -18.9461 -18.7433 -18.7433 -18.7379 -18.7379 -18.5708 -18.5708 -18.5702 -18.5702 -11.2234 -11.2234 2.3459 2.3459 2.4473 2.4473 2.8288 2.8288 8.6729 8.6729 11.9299 11.9299 12.4332 12.4332 13.1229 13.1229 k = 0.5000 0.0493 0.5427 ( 2666 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9770 -18.9770 -18.9448 -18.9448 -18.7433 -18.7433 -18.7377 -18.7377 -18.5721 -18.5721 -18.5715 -18.5715 -11.2245 -11.2245 2.3252 2.3252 2.4583 2.4583 2.8429 2.8429 8.6868 8.6868 11.8343 11.8343 12.4502 12.4502 13.2077 13.2077 k = 0.5000 0.0563 0.5327 ( 2666 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9752 -18.9752 -18.9433 -18.9433 -18.7433 -18.7433 -18.7375 -18.7375 -18.5737 -18.5737 -18.5729 -18.5729 -11.2258 -11.2258 2.3030 2.3030 2.4709 2.4709 2.8574 2.8574 8.7026 8.7026 11.7383 11.7383 12.4697 12.4697 13.2907 13.2907 k = 0.5000 0.0634 0.5228 ( 2670 PWs) bands (ev): -46.7937 -46.7937 -46.7937 -46.7937 -18.9732 -18.9732 -18.9417 -18.9417 -18.7433 -18.7433 -18.7373 -18.7373 -18.5754 -18.5754 -18.5745 -18.5745 -11.2273 -11.2273 2.2795 2.2795 2.4851 2.4851 2.8723 2.8723 8.7202 8.7202 11.6423 11.6423 12.4920 12.4920 13.3711 13.3711 k = 0.5000 0.0704 0.5128 ( 2670 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9710 -18.9710 -18.9399 -18.9399 -18.7433 -18.7433 -18.7370 -18.7370 -18.5773 -18.5773 -18.5763 -18.5763 -11.2288 -11.2288 2.2552 2.2552 2.5008 2.5008 2.8871 2.8871 8.7394 8.7394 11.5466 11.5466 12.5169 12.5169 13.4486 13.4486 k = 0.5000 0.0774 0.5028 ( 2670 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9686 -18.9686 -18.9378 -18.9378 -18.7433 -18.7433 -18.7367 -18.7367 -18.5794 -18.5794 -18.5783 -18.5783 -11.2305 -11.2305 2.2303 2.2303 2.5180 2.5180 2.9018 2.9018 8.7602 8.7602 11.4514 11.4514 12.5445 12.5445 13.5226 13.5226 k = 0.5000 0.0845 0.4929 ( 2670 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9660 -18.9660 -18.9357 -18.9357 -18.7432 -18.7432 -18.7363 -18.7363 -18.5817 -18.5817 -18.5805 -18.5805 -11.2324 -11.2324 2.2050 2.2050 2.5365 2.5365 2.9162 2.9162 8.7823 8.7823 11.3569 11.3569 12.5749 12.5749 13.5926 13.5926 k = 0.5000 0.0915 0.4829 ( 2666 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9632 -18.9632 -18.9333 -18.9333 -18.7431 -18.7431 -18.7359 -18.7359 -18.5842 -18.5842 -18.5828 -18.5828 -11.2343 -11.2343 2.1794 2.1794 2.5563 2.5563 2.9302 2.9302 8.8057 8.8057 11.2632 11.2632 12.6079 12.6079 13.6583 13.6583 k = 0.5000 0.0986 0.4730 ( 2666 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9602 -18.9602 -18.9309 -18.9309 -18.7430 -18.7430 -18.7355 -18.7355 -18.5868 -18.5868 -18.5853 -18.5853 -11.2363 -11.2363 2.1537 2.1537 2.5772 2.5772 2.9438 2.9438 8.8302 8.8302 11.1705 11.1705 12.6436 12.6436 13.7192 13.7192 k = 0.5000 0.1056 0.4630 ( 2668 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9570 -18.9570 -18.9283 -18.9283 -18.7429 -18.7429 -18.7350 -18.7350 -18.5897 -18.5897 -18.5879 -18.5879 -11.2385 -11.2385 2.1280 2.1280 2.5993 2.5993 2.9568 2.9568 8.8556 8.8556 11.0789 11.0789 12.6820 12.6820 13.7750 13.7750 k = 0.5000 0.1127 0.4531 ( 2668 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9537 -18.9537 -18.9256 -18.9256 -18.7427 -18.7427 -18.7345 -18.7345 -18.5927 -18.5927 -18.5908 -18.5908 -11.2407 -11.2407 2.1025 2.1025 2.6223 2.6223 2.9693 2.9693 8.8817 8.8817 10.9887 10.9887 12.7230 12.7230 13.8253 13.8253 k = 0.5000 0.1197 0.4431 ( 2662 PWs) bands (ev): -46.7938 -46.7938 -46.7938 -46.7938 -18.9502 -18.9502 -18.9227 -18.9227 -18.7425 -18.7425 -18.7339 -18.7339 -18.5958 -18.5958 -18.5937 -18.5937 -11.2429 -11.2429 2.0773 2.0773 2.6462 2.6462 2.9812 2.9812 8.9085 8.9085 10.8999 10.8999 12.7668 12.7668 13.8699 13.8699 k = 0.5000 0.1267 0.4331 ( 2662 PWs) bands (ev): -46.7939 -46.7939 -46.7938 -46.7938 -18.9466 -18.9466 -18.9198 -18.9198 -18.7422 -18.7422 -18.7332 -18.7332 -18.5991 -18.5991 -18.5968 -18.5968 -11.2452 -11.2452 2.0524 2.0524 2.6708 2.6708 2.9925 2.9925 8.9356 8.9356 10.8128 10.8128 12.8130 12.8130 13.9088 13.9088 k = 0.5000 0.1338 0.4232 ( 2664 PWs) bands (ev): -46.7939 -46.7939 -46.7939 -46.7939 -18.9430 -18.9430 -18.9168 -18.9168 -18.7419 -18.7419 -18.7326 -18.7326 -18.6026 -18.6026 -18.6001 -18.6001 -11.2476 -11.2476 2.0280 2.0280 2.6960 2.6960 3.0032 3.0032 8.9630 8.9630 10.7274 10.7274 12.8619 12.8619 13.9419 13.9419 k = 0.5000 0.1408 0.4132 ( 2660 PWs) bands (ev): -46.7939 -46.7939 -46.7939 -46.7939 -18.9392 -18.9392 -18.9137 -18.9137 -18.7415 -18.7415 -18.7318 -18.7318 -18.6062 -18.6062 -18.6035 -18.6035 -11.2499 -11.2499 2.0041 2.0041 2.7217 2.7217 3.0132 3.0132 8.9905 8.9905 10.6440 10.6440 12.9131 12.9131 13.9693 13.9693 k = 0.5000 0.1479 0.4033 ( 2660 PWs) bands (ev): -46.7939 -46.7939 -46.7939 -46.7939 -18.9354 -18.9354 -18.9106 -18.9106 -18.7411 -18.7411 -18.7310 -18.7310 -18.6099 -18.6099 -18.6070 -18.6070 -11.2523 -11.2523 1.9809 1.9809 2.7478 2.7478 3.0227 3.0227 9.0179 9.0179 10.5626 10.5626 12.9667 12.9667 13.9911 13.9911 k = 0.5000 0.1549 0.3933 ( 2666 PWs) bands (ev): -46.7939 -46.7939 -46.7939 -46.7939 -18.9315 -18.9315 -18.9075 -18.9075 -18.7406 -18.7406 -18.7301 -18.7301 -18.6138 -18.6138 -18.6106 -18.6106 -11.2546 -11.2546 1.9583 1.9583 2.7741 2.7741 3.0315 3.0315 9.0450 9.0450 10.4836 10.4836 13.0225 13.0225 14.0078 14.0078 k = 0.5000 0.1619 0.3834 ( 2662 PWs) bands (ev): -46.7939 -46.7939 -46.7939 -46.7939 -18.9276 -18.9276 -18.9043 -18.9043 -18.7400 -18.7400 -18.7291 -18.7291 -18.6177 -18.6177 -18.6143 -18.6143 -11.2570 -11.2570 1.9365 1.9365 2.8005 2.8005 3.0397 3.0397 9.0717 9.0717 10.4070 10.4070 13.0802 13.0802 14.0197 14.0197 k = 0.5000 0.1690 0.3734 ( 2664 PWs) bands (ev): -46.7940 -46.7940 -46.7939 -46.7939 -18.9237 -18.9237 -18.9011 -18.9011 -18.7393 -18.7393 -18.7280 -18.7280 -18.6218 -18.6218 -18.6182 -18.6182 -11.2592 -11.2592 1.9156 1.9156 2.8267 2.8267 3.0474 3.0474 9.0978 9.0978 10.3331 10.3331 13.1398 13.1398 14.0272 14.0272 k = 0.5000 0.1760 0.3634 ( 2664 PWs) bands (ev): -46.7940 -46.7940 -46.7940 -46.7940 -18.9197 -18.9197 -18.8980 -18.8980 -18.7385 -18.7385 -18.7268 -18.7268 -18.6260 -18.6260 -18.6221 -18.6221 -11.2615 -11.2615 1.8955 1.8955 2.8526 2.8526 3.0545 3.0545 9.1232 9.1232 10.2620 10.2620 13.2009 13.2009 14.0310 14.0310 k = 0.5000 0.1831 0.3535 ( 2672 PWs) bands (ev): -46.7940 -46.7940 -46.7940 -46.7940 -18.9159 -18.9159 -18.8950 -18.8950 -18.7376 -18.7376 -18.7256 -18.7256 -18.6303 -18.6303 -18.6261 -18.6261 -11.2637 -11.2637 1.8764 1.8764 2.8781 2.8781 3.0610 3.0610 9.1478 9.1478 10.1939 10.1939 13.2633 13.2633 14.0315 14.0315 k = 0.5000 0.1901 0.3435 ( 2668 PWs) bands (ev): -46.7940 -46.7940 -46.7940 -46.7940 -18.9121 -18.9121 -18.8920 -18.8920 -18.7365 -18.7365 -18.7242 -18.7242 -18.6346 -18.6346 -18.6301 -18.6301 -11.2658 -11.2658 1.8582 1.8582 2.9031 2.9031 3.0671 3.0671 9.1713 9.1713 10.1291 10.1291 13.3265 13.3265 14.0293 14.0293 k = 0.5000 0.1971 0.3336 ( 2668 PWs) bands (ev): -46.7940 -46.7940 -46.7940 -46.7940 -18.9084 -18.9084 -18.8891 -18.8891 -18.7354 -18.7354 -18.7227 -18.7227 -18.6390 -18.6390 -18.6342 -18.6342 -11.2678 -11.2678 1.8412 1.8412 2.9272 2.9272 3.0726 3.0726 9.1937 9.1937 10.0676 10.0676 13.3902 13.3902 14.0249 14.0249 k = 0.5000 0.2042 0.3236 ( 2668 PWs) bands (ev): -46.7940 -46.7940 -46.7940 -46.7940 -18.9048 -18.9048 -18.8863 -18.8863 -18.7341 -18.7341 -18.7211 -18.7211 -18.6434 -18.6434 -18.6383 -18.6383 -11.2697 -11.2697 1.8252 1.8252 2.9504 2.9504 3.0776 3.0776 9.2149 9.2149 10.0097 10.0097 13.4538 13.4538 14.0188 14.0188 k = 0.5000 0.2112 0.3137 ( 2672 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.9013 -18.9013 -18.8837 -18.8837 -18.7326 -18.7326 -18.7193 -18.7193 -18.6478 -18.6478 -18.6425 -18.6425 -11.2716 -11.2716 1.8103 1.8103 2.9724 2.9724 3.0822 3.0822 9.2347 9.2347 9.9557 9.9557 13.5168 13.5168 14.0116 14.0116 k = 0.5000 0.2183 0.3037 ( 2662 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8979 -18.8979 -18.8812 -18.8812 -18.7310 -18.7310 -18.7174 -18.7174 -18.6522 -18.6522 -18.6466 -18.6466 -11.2732 -11.2732 1.7966 1.7966 2.9932 2.9932 3.0865 3.0865 9.2531 9.2531 9.9055 9.9055 13.5785 13.5785 14.0036 14.0036 k = 0.5000 0.2253 0.2937 ( 2666 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8948 -18.8948 -18.8789 -18.8789 -18.7292 -18.7292 -18.7154 -18.7154 -18.6566 -18.6566 -18.6508 -18.6508 -11.2748 -11.2748 1.7841 1.7841 3.0124 3.0124 3.0903 3.0903 9.2700 9.2700 9.8596 9.8596 13.6383 13.6383 13.9952 13.9952 k = 0.5000 0.2323 0.2838 ( 2668 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8920 -18.8920 -18.8768 -18.8768 -18.7274 -18.7274 -18.7132 -18.7132 -18.6609 -18.6609 -18.6549 -18.6549 -11.2762 -11.2762 1.7729 1.7729 3.0300 3.0300 3.0938 3.0938 9.2853 9.2853 9.8179 9.8179 13.6953 13.6953 13.9868 13.9868 k = 0.5000 0.2394 0.2738 ( 2668 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8893 -18.8893 -18.8749 -18.8749 -18.7253 -18.7253 -18.7110 -18.7110 -18.6652 -18.6652 -18.6589 -18.6589 -11.2775 -11.2775 1.7629 1.7629 3.0457 3.0457 3.0970 3.0970 9.2990 9.2990 9.7808 9.7808 13.7487 13.7487 13.9788 13.9788 k = 0.5000 0.2464 0.2639 ( 2666 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8870 -18.8870 -18.8733 -18.8733 -18.7232 -18.7232 -18.7086 -18.7086 -18.6692 -18.6692 -18.6629 -18.6629 -11.2786 -11.2786 1.7542 1.7542 3.0593 3.0593 3.1000 3.1000 9.3109 9.3109 9.7482 9.7482 13.7975 13.7975 13.9713 13.9713 k = 0.5000 0.2535 0.2539 ( 2662 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8849 -18.8849 -18.8718 -18.8718 -18.7210 -18.7210 -18.7061 -18.7061 -18.6731 -18.6731 -18.6667 -18.6667 -11.2796 -11.2796 1.7468 1.7468 3.0707 3.0707 3.1030 3.1030 9.3211 9.3211 9.7205 9.7205 13.8409 13.8409 13.9647 13.9647 k = 0.5000 0.2605 0.2440 ( 2662 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8832 -18.8832 -18.8707 -18.8707 -18.7189 -18.7189 -18.7036 -18.7036 -18.6766 -18.6766 -18.6703 -18.6703 -11.2804 -11.2804 1.7407 1.7407 3.0795 3.0795 3.1060 3.1060 9.3295 9.3295 9.6976 9.6976 13.8779 13.8779 13.9590 13.9590 k = 0.5000 0.2676 0.2340 ( 2662 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8818 -18.8818 -18.8698 -18.8698 -18.7169 -18.7169 -18.7011 -18.7011 -18.6797 -18.6797 -18.6737 -18.6737 -11.2810 -11.2810 1.7359 1.7359 3.0859 3.0859 3.1089 3.1089 9.3360 9.3360 9.6797 9.6797 13.9075 13.9075 13.9547 13.9547 k = 0.5000 0.2746 0.2240 ( 2662 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8808 -18.8808 -18.8691 -18.8691 -18.7152 -18.7152 -18.6989 -18.6989 -18.6823 -18.6823 -18.6765 -18.6765 -11.2814 -11.2814 1.7325 1.7325 3.0899 3.0899 3.1116 3.1116 9.3407 9.3407 9.6668 9.6668 13.9288 13.9288 13.9520 13.9520 k = 0.5000 0.2816 0.2141 ( 2660 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8802 -18.8802 -18.8687 -18.8687 -18.7140 -18.7140 -18.6972 -18.6972 -18.6839 -18.6839 -18.6786 -18.6786 -11.2817 -11.2817 1.7305 1.7305 3.0921 3.0921 3.1134 3.1134 9.3436 9.3436 9.6591 9.6591 13.9402 13.9402 13.9519 13.9519 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8799 -18.8799 -18.8685 -18.8685 -18.7134 -18.7134 -18.6964 -18.6964 -18.6843 -18.6843 -18.6792 -18.6792 -11.2818 -11.2818 1.7298 1.7298 3.0928 3.0928 3.1142 3.1142 9.3445 9.3445 9.6565 9.6565 13.9427 13.9427 13.9533 13.9533 k = 0.5000 0.2887 0.2041 ( 2638 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8799 -18.8799 -18.8685 -18.8685 -18.7134 -18.7134 -18.6964 -18.6964 -18.6843 -18.6843 -18.6792 -18.6792 -11.2818 -11.2818 1.7298 1.7298 3.0928 3.0928 3.1142 3.1142 9.3445 9.3445 9.6565 9.6565 13.9427 13.9427 13.9533 13.9533 k = 0.4964 0.2866 0.2158 ( 2660 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8802 -18.8802 -18.8687 -18.8687 -18.7140 -18.7140 -18.6972 -18.6972 -18.6839 -18.6839 -18.6786 -18.6786 -11.2817 -11.2817 1.7305 1.7305 3.0921 3.0921 3.1134 3.1134 9.3435 9.3435 9.6592 9.6592 13.9401 13.9401 13.9519 13.9519 k = 0.4929 0.2846 0.2275 ( 2661 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8808 -18.8808 -18.8692 -18.8692 -18.7152 -18.7152 -18.6989 -18.6989 -18.6822 -18.6822 -18.6765 -18.6765 -11.2814 -11.2814 1.7326 1.7326 3.0898 3.0898 3.1115 3.1115 9.3406 9.3406 9.6671 9.6671 13.9283 13.9283 13.9520 13.9520 k = 0.4893 0.2825 0.2391 ( 2665 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8819 -18.8819 -18.8698 -18.8698 -18.7170 -18.7170 -18.7012 -18.7012 -18.6797 -18.6797 -18.6735 -18.6735 -11.2810 -11.2810 1.7361 1.7361 3.0856 3.0856 3.1088 3.1088 9.3358 9.3358 9.6803 9.6803 13.9063 13.9063 13.9549 13.9549 k = 0.4857 0.2804 0.2508 ( 2665 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8833 -18.8833 -18.8708 -18.8708 -18.7191 -18.7191 -18.7036 -18.7036 -18.6766 -18.6766 -18.6700 -18.6700 -11.2803 -11.2803 1.7410 1.7410 3.0791 3.0791 3.1058 3.1058 9.3290 9.3290 9.6988 9.6988 13.8757 13.8757 13.9596 13.9596 k = 0.4821 0.2784 0.2624 ( 2670 PWs) bands (ev): -46.7941 -46.7941 -46.7941 -46.7941 -18.8851 -18.8851 -18.8720 -18.8720 -18.7214 -18.7214 -18.7060 -18.7060 -18.6731 -18.6731 -18.6663 -18.6663 -11.2795 -11.2795 1.7472 1.7472 3.0698 3.0698 3.1028 3.1028 9.3204 9.3204 9.7223 9.7223 13.8375 13.8375 13.9657 13.9657 k = 0.4786 0.2763 0.2741 ( 2668 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8872 -18.8872 -18.8734 -18.8734 -18.7239 -18.7239 -18.7082 -18.7082 -18.6695 -18.6695 -18.6621 -18.6621 -11.2785 -11.2785 1.7549 1.7549 3.0580 3.0580 3.1000 3.1000 9.3099 9.3099 9.7509 9.7509 13.7925 13.7925 13.9732 13.9732 k = 0.4750 0.2742 0.2858 ( 2672 PWs) bands (ev): -46.7941 -46.7941 -46.7940 -46.7940 -18.8897 -18.8897 -18.8750 -18.8750 -18.7264 -18.7264 -18.7101 -18.7101 -18.6659 -18.6659 -18.6578 -18.6578 -11.2774 -11.2774 1.7638 1.7638 3.0438 3.0438 3.0970 3.0970 9.2976 9.2976 9.7844 9.7844 13.7416 13.7416 13.9819 13.9819 k = 0.4714 0.2722 0.2974 ( 2674 PWs) bands (ev): -46.7942 -46.7942 -46.7940 -46.7940 -18.8925 -18.8925 -18.8769 -18.8769 -18.7291 -18.7291 -18.7115 -18.7115 -18.6621 -18.6621 -18.6533 -18.6533 -11.2761 -11.2761 1.7741 1.7741 3.0274 3.0274 3.0940 3.0940 9.2835 9.2835 9.8226 9.8226 13.6859 13.6859 13.9918 13.9918 k = 0.4679 0.2701 0.3091 ( 2672 PWs) bands (ev): -46.7942 -46.7942 -46.7939 -46.7939 -18.8955 -18.8955 -18.8789 -18.8789 -18.7319 -18.7319 -18.7126 -18.7126 -18.6584 -18.6584 -18.6486 -18.6486 -11.2746 -11.2746 1.7857 1.7857 3.0090 3.0090 3.0908 3.0908 9.2677 9.2677 9.8654 9.8654 13.6262 13.6262 14.0028 14.0028 k = 0.4643 0.2681 0.3208 ( 2669 PWs) bands (ev): -46.7942 -46.7942 -46.7939 -46.7939 -18.8988 -18.8988 -18.8810 -18.8810 -18.7348 -18.7348 -18.7133 -18.7133 -18.6548 -18.6548 -18.6438 -18.6438 -11.2730 -11.2730 1.7985 1.7985 2.9887 2.9887 3.0874 3.0874 9.2502 9.2502 9.9127 9.9127 13.5633 13.5633 14.0147 14.0147 k = 0.4607 0.2660 0.3324 ( 2671 PWs) bands (ev): -46.7943 -46.7943 -46.7938 -46.7938 -18.9024 -18.9024 -18.8833 -18.8833 -18.7378 -18.7378 -18.7136 -18.7136 -18.6512 -18.6512 -18.6390 -18.6390 -11.2713 -11.2713 1.8126 1.8126 2.9668 2.9668 3.0838 3.0838 9.2311 9.2311 9.9641 9.9641 13.4980 13.4980 14.0276 14.0276 k = 0.4571 0.2639 0.3441 ( 2671 PWs) bands (ev): -46.7943 -46.7943 -46.7938 -46.7938 -18.9062 -18.9062 -18.8856 -18.8856 -18.7409 -18.7409 -18.7136 -18.7136 -18.6476 -18.6476 -18.6342 -18.6342 -11.2694 -11.2694 1.8278 1.8278 2.9434 2.9434 3.0801 3.0801 9.2104 9.2104 10.0197 10.0197 13.4310 13.4310 14.0413 14.0413 k = 0.4536 0.2619 0.3558 ( 2668 PWs) bands (ev): -46.7944 -46.7944 -46.7937 -46.7937 -18.9101 -18.9101 -18.8880 -18.8880 -18.7440 -18.7440 -18.7132 -18.7132 -18.6441 -18.6441 -18.6293 -18.6293 -11.2675 -11.2675 1.8443 1.8443 2.9186 2.9186 3.0760 3.0760 9.1883 9.1883 10.0791 10.0791 13.3630 13.3630 14.0557 14.0557 k = 0.4500 0.2598 0.3674 ( 2666 PWs) bands (ev): -46.7944 -46.7944 -46.7936 -46.7936 -18.9142 -18.9142 -18.8905 -18.8905 -18.7472 -18.7472 -18.7125 -18.7125 -18.6406 -18.6406 -18.6246 -18.6246 -11.2654 -11.2654 1.8618 1.8618 2.8927 2.8927 3.0718 3.0718 9.1647 9.1647 10.1421 10.1421 13.2945 13.2945 14.0707 14.0707 k = 0.4464 0.2577 0.3791 ( 2672 PWs) bands (ev): -46.7945 -46.7945 -46.7935 -46.7935 -18.9184 -18.9184 -18.8931 -18.8931 -18.7504 -18.7504 -18.7117 -18.7117 -18.6372 -18.6372 -18.6200 -18.6200 -11.2632 -11.2632 1.8803 1.8803 2.8656 2.8656 3.0674 3.0674 9.1399 9.1399 10.2085 10.2085 13.2259 13.2259 14.0862 14.0862 k = 0.4429 0.2557 0.3908 ( 2670 PWs) bands (ev): -46.7946 -46.7946 -46.7934 -46.7934 -18.9227 -18.9227 -18.8955 -18.8955 -18.7535 -18.7535 -18.7106 -18.7106 -18.6338 -18.6338 -18.6155 -18.6155 -11.2610 -11.2610 1.8999 1.8999 2.8378 2.8378 3.0629 3.0629 9.1138 9.1138 10.2782 10.2782 13.1578 13.1578 14.1021 14.1021 k = 0.4393 0.2536 0.4024 ( 2671 PWs) bands (ev): -46.7947 -46.7947 -46.7932 -46.7932 -18.9270 -18.9270 -18.8981 -18.8981 -18.7565 -18.7565 -18.7094 -18.7094 -18.6305 -18.6305 -18.6110 -18.6110 -11.2587 -11.2587 1.9204 1.9204 2.8092 2.8092 3.0582 3.0582 9.0866 9.0866 10.3507 10.3507 13.0905 13.0905 14.1183 14.1183 k = 0.4357 0.2516 0.4141 ( 2670 PWs) bands (ev): -46.7948 -46.7948 -46.7931 -46.7931 -18.9313 -18.9313 -18.9006 -18.9006 -18.7596 -18.7596 -18.7080 -18.7080 -18.6273 -18.6273 -18.6068 -18.6068 -11.2564 -11.2564 1.9418 1.9418 2.7800 2.7800 3.0534 3.0534 9.0584 9.0584 10.4260 10.4260 13.0243 13.0243 14.1347 14.1347 k = 0.4321 0.2495 0.4257 ( 2670 PWs) bands (ev): -46.7949 -46.7949 -46.7929 -46.7929 -18.9356 -18.9356 -18.9031 -18.9031 -18.7626 -18.7626 -18.7064 -18.7064 -18.6240 -18.6240 -18.6026 -18.6026 -11.2541 -11.2541 1.9639 1.9639 2.7505 2.7505 3.0485 3.0485 9.0293 9.0293 10.5037 10.5037 12.9594 12.9594 14.1511 14.1511 k = 0.4286 0.2474 0.4374 ( 2670 PWs) bands (ev): -46.7951 -46.7951 -46.7927 -46.7927 -18.9399 -18.9399 -18.9055 -18.9055 -18.7656 -18.7656 -18.7048 -18.7048 -18.6209 -18.6209 -18.5987 -18.5987 -11.2517 -11.2517 1.9868 1.9868 2.7208 2.7208 3.0434 3.0434 8.9994 8.9994 10.5837 10.5837 12.8960 12.8960 14.1676 14.1676 k = 0.4250 0.2454 0.4491 ( 2669 PWs) bands (ev): -46.7952 -46.7952 -46.7925 -46.7925 -18.9441 -18.9441 -18.9080 -18.9080 -18.7685 -18.7685 -18.7031 -18.7031 -18.6178 -18.6178 -18.5949 -18.5949 -11.2493 -11.2493 2.0102 2.0102 2.6910 2.6910 3.0384 3.0384 8.9689 8.9689 10.6656 10.6656 12.8345 12.8345 14.1840 14.1840 k = 0.4214 0.2433 0.4607 ( 2673 PWs) bands (ev): -46.7954 -46.7954 -46.7923 -46.7923 -18.9482 -18.9482 -18.9104 -18.9104 -18.7714 -18.7714 -18.7013 -18.7013 -18.6148 -18.6148 -18.5913 -18.5913 -11.2470 -11.2470 2.0341 2.0341 2.6613 2.6613 3.0332 3.0332 8.9377 8.9377 10.7493 10.7493 12.7747 12.7747 14.2003 14.2003 k = 0.4179 0.2412 0.4724 ( 2671 PWs) bands (ev): -46.7956 -46.7956 -46.7921 -46.7921 -18.9521 -18.9521 -18.9127 -18.9127 -18.7741 -18.7741 -18.6995 -18.6995 -18.6119 -18.6119 -18.5880 -18.5880 -11.2447 -11.2447 2.0584 2.0584 2.6320 2.6320 3.0281 3.0281 8.9061 8.9061 10.8344 10.8344 12.7171 12.7171 14.2163 14.2163 k = 0.4143 0.2392 0.4841 ( 2671 PWs) bands (ev): -46.7958 -46.7958 -46.7919 -46.7919 -18.9559 -18.9559 -18.9150 -18.9150 -18.7768 -18.7768 -18.6977 -18.6977 -18.6090 -18.6090 -18.5848 -18.5848 -11.2424 -11.2424 2.0829 2.0829 2.6032 2.6032 3.0230 3.0230 8.8742 8.8742 10.9207 10.9207 12.6615 12.6615 14.2321 14.2321 k = 0.4107 0.2371 0.4957 ( 2669 PWs) bands (ev): -46.7961 -46.7961 -46.7916 -46.7916 -18.9595 -18.9595 -18.9173 -18.9173 -18.7795 -18.7795 -18.6958 -18.6958 -18.6062 -18.6062 -18.5818 -18.5818 -11.2402 -11.2402 2.1072 2.1072 2.5752 2.5752 3.0178 3.0178 8.8421 8.8421 11.0079 11.0079 12.6081 12.6081 14.2476 14.2476 k = 0.4071 0.2351 0.5074 ( 2668 PWs) bands (ev): -46.7963 -46.7963 -46.7913 -46.7913 -18.9630 -18.9630 -18.9195 -18.9195 -18.7820 -18.7820 -18.6939 -18.6939 -18.6034 -18.6034 -18.5791 -18.5791 -11.2381 -11.2381 2.1312 2.1312 2.5484 2.5484 3.0128 3.0128 8.8098 8.8098 11.0958 11.0958 12.5570 12.5570 14.2627 14.2627 k = 0.4036 0.2330 0.5191 ( 2662 PWs) bands (ev): -46.7966 -46.7966 -46.7910 -46.7910 -18.9662 -18.9662 -18.9216 -18.9216 -18.7844 -18.7844 -18.6919 -18.6919 -18.6007 -18.6007 -18.5766 -18.5766 -11.2361 -11.2361 2.1545 2.1545 2.5231 2.5231 3.0078 3.0078 8.7776 8.7776 11.1839 11.1839 12.5082 12.5082 14.2775 14.2775 k = 0.4000 0.2309 0.5307 ( 2658 PWs) bands (ev): -46.7969 -46.7969 -46.7907 -46.7907 -18.9691 -18.9691 -18.9236 -18.9236 -18.7868 -18.7868 -18.6900 -18.6900 -18.5981 -18.5981 -18.5744 -18.5744 -11.2342 -11.2342 2.1764 2.1764 2.5001 2.5001 3.0029 3.0029 8.7454 8.7454 11.2720 11.2720 12.4619 12.4619 14.2919 14.2919 k = 0.3964 0.2289 0.5424 ( 2658 PWs) bands (ev): -46.7972 -46.7972 -46.7904 -46.7904 -18.9719 -18.9719 -18.9257 -18.9257 -18.7891 -18.7891 -18.6881 -18.6881 -18.5956 -18.5956 -18.5724 -18.5724 -11.2325 -11.2325 2.1961 2.1961 2.4800 2.4800 2.9980 2.9980 8.7135 8.7135 11.3598 11.3598 12.4182 12.4182 14.3059 14.3059 k = 0.3929 0.2268 0.5541 ( 2658 PWs) bands (ev): -46.7975 -46.7975 -46.7900 -46.7900 -18.9744 -18.9744 -18.9276 -18.9276 -18.7914 -18.7914 -18.6862 -18.6862 -18.5931 -18.5931 -18.5706 -18.5706 -11.2308 -11.2308 2.2124 2.2124 2.4642 2.4642 2.9933 2.9933 8.6818 8.6818 11.4467 11.4467 12.3772 12.3772 14.3196 14.3196 k = 0.3893 0.2248 0.5657 ( 2658 PWs) bands (ev): -46.7978 -46.7978 -46.7896 -46.7896 -18.9767 -18.9767 -18.9295 -18.9295 -18.7935 -18.7935 -18.6843 -18.6843 -18.5907 -18.5907 -18.5692 -18.5692 -11.2294 -11.2294 2.2239 2.2239 2.4541 2.4541 2.9888 2.9888 8.6505 8.6505 11.5322 11.5322 12.3393 12.3393 14.3328 14.3328 k = 0.3857 0.2227 0.5774 ( 2653 PWs) bands (ev): -46.7982 -46.7982 -46.7893 -46.7893 -18.9786 -18.9786 -18.9313 -18.9313 -18.7955 -18.7955 -18.6824 -18.6824 -18.5884 -18.5884 -18.5679 -18.5679 -11.2281 -11.2281 2.2293 2.2293 2.4509 2.4509 2.9844 2.9844 8.6196 8.6196 11.6155 11.6155 12.3049 12.3049 14.3458 14.3458 k = 0.3821 0.2206 0.5890 ( 2657 PWs) bands (ev): -46.7986 -46.7986 -46.7889 -46.7889 -18.9804 -18.9804 -18.9331 -18.9331 -18.7975 -18.7975 -18.6806 -18.6806 -18.5862 -18.5862 -18.5670 -18.5670 -11.2270 -11.2270 2.2280 2.2280 2.4551 2.4551 2.9802 2.9802 8.5892 8.5892 11.6956 11.6956 12.2750 12.2750 14.3584 14.3584 k = 0.3786 0.2186 0.6007 ( 2655 PWs) bands (ev): -46.7990 -46.7990 -46.7884 -46.7884 -18.9818 -18.9818 -18.9347 -18.9347 -18.7993 -18.7993 -18.6788 -18.6788 -18.5840 -18.5840 -18.5662 -18.5662 -11.2261 -11.2261 2.2210 2.2210 2.4659 2.4659 2.9762 2.9762 8.5593 8.5593 11.7705 11.7705 12.2512 12.2512 14.3707 14.3707 k = 0.3750 0.2165 0.6124 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9363 -18.9363 -18.8011 -18.8011 -18.6770 -18.6770 -18.5820 -18.5820 -18.5658 -18.5658 -11.2255 -11.2255 2.2098 2.2098 2.4818 2.4818 2.9724 2.9724 8.5299 8.5299 11.8372 11.8372 12.2363 12.2363 14.3828 14.3828 k = 0.6250-0.0722 0.4082 ( 2654 PWs) bands (ev): -46.7994 -46.7994 -46.7880 -46.7880 -18.9829 -18.9829 -18.9363 -18.9363 -18.8011 -18.8011 -18.6770 -18.6770 -18.5820 -18.5820 -18.5658 -18.5658 -11.2255 -11.2255 2.2098 2.2098 2.4818 2.4818 2.9724 2.9724 8.5299 8.5299 11.8372 11.8372 12.2363 12.2363 14.3828 14.3828 k = 0.6190-0.0825 0.4082 ( 2654 PWs) bands (ev): -46.8001 -46.8001 -46.7873 -46.7873 -18.9845 -18.9845 -18.9388 -18.9388 -18.8038 -18.8038 -18.6742 -18.6742 -18.5786 -18.5786 -18.5653 -18.5653 -11.2246 -11.2246 2.1888 2.1888 2.5116 2.5116 2.9664 2.9664 8.4812 8.4812 11.9405 11.9405 12.2218 12.2218 14.4029 14.4029 k = 0.6131-0.0928 0.4082 ( 2656 PWs) bands (ev): -46.8008 -46.8008 -46.7866 -46.7866 -18.9861 -18.9861 -18.9413 -18.9413 -18.8065 -18.8065 -18.6714 -18.6714 -18.5754 -18.5754 -18.5649 -18.5649 -11.2238 -11.2238 2.1684 2.1684 2.5413 2.5413 2.9605 2.9605 8.4326 8.4326 12.0457 12.0457 12.2084 12.2084 14.4229 14.4229 k = 0.6071-0.1031 0.4082 ( 2656 PWs) bands (ev): -46.8014 -46.8014 -46.7859 -46.7859 -18.9875 -18.9875 -18.9436 -18.9436 -18.8090 -18.8090 -18.6687 -18.6687 -18.5723 -18.5723 -18.5644 -18.5644 -11.2232 -11.2232 2.1488 2.1488 2.5709 2.5709 2.9547 2.9547 8.3845 8.3845 12.1522 12.1522 12.1963 12.1963 14.4430 14.4430 k = 0.6012-0.1134 0.4082 ( 2654 PWs) bands (ev): -46.8021 -46.8021 -46.7853 -46.7853 -18.9889 -18.9889 -18.9458 -18.9458 -18.8114 -18.8114 -18.6661 -18.6661 -18.5694 -18.5694 -18.5640 -18.5640 -11.2226 -11.2226 2.1299 2.1299 2.6002 2.6002 2.9492 2.9492 8.3372 8.3372 12.1843 12.1843 12.2605 12.2605 14.4628 14.4628 k = 0.5952-0.1237 0.4082 ( 2654 PWs) bands (ev): -46.8027 -46.8027 -46.7847 -46.7847 -18.9902 -18.9902 -18.9480 -18.9480 -18.8137 -18.8137 -18.6637 -18.6637 -18.5666 -18.5666 -18.5635 -18.5635 -11.2221 -11.2221 2.1118 2.1118 2.6290 2.6290 2.9439 2.9439 8.2910 8.2910 12.1740 12.1740 12.3684 12.3684 14.4823 14.4823 k = 0.5893-0.1340 0.4082 ( 2654 PWs) bands (ev): -46.8032 -46.8032 -46.7841 -46.7841 -18.9915 -18.9915 -18.9501 -18.9501 -18.8158 -18.8158 -18.6613 -18.6613 -18.5640 -18.5640 -18.5631 -18.5631 -11.2217 -11.2217 2.0946 2.0946 2.6571 2.6571 2.9389 2.9389 8.2463 8.2463 12.1646 12.1646 12.4763 12.4763 14.5013 14.5013 k = 0.5833-0.1443 0.4082 ( 2654 PWs) bands (ev): -46.8037 -46.8037 -46.7836 -46.7836 -18.9926 -18.9926 -18.9520 -18.9520 -18.8178 -18.8178 -18.6591 -18.6591 -18.5628 -18.5628 -18.5613 -18.5613 -11.2214 -11.2214 2.0783 2.0783 2.6845 2.6845 2.9341 2.9341 8.2032 8.2032 12.1559 12.1559 12.5835 12.5835 14.5197 14.5197 k = 0.5774-0.1546 0.4082 ( 2658 PWs) bands (ev): -46.8042 -46.8042 -46.7831 -46.7831 -18.9937 -18.9937 -18.9539 -18.9539 -18.8196 -18.8196 -18.6571 -18.6571 -18.5625 -18.5625 -18.5590 -18.5590 -11.2212 -11.2212 2.0630 2.0630 2.7108 2.7108 2.9295 2.9295 8.1621 8.1621 12.1481 12.1481 12.6893 12.6893 14.5375 14.5375 k = 0.5714-0.1650 0.4082 ( 2666 PWs) bands (ev): -46.8047 -46.8047 -46.7827 -46.7827 -18.9947 -18.9947 -18.9557 -18.9557 -18.8215 -18.8215 -18.6551 -18.6551 -18.5622 -18.5622 -18.5568 -18.5568 -11.2210 -11.2210 2.0486 2.0486 2.7361 2.7361 2.9253 2.9253 8.1232 8.1232 12.1410 12.1410 12.7931 12.7931 14.5544 14.5544 k = 0.5655-0.1753 0.4082 ( 2662 PWs) bands (ev): -46.8051 -46.8051 -46.7822 -46.7822 -18.9956 -18.9956 -18.9573 -18.9573 -18.8230 -18.8230 -18.6533 -18.6533 -18.5618 -18.5618 -18.5548 -18.5548 -11.2208 -11.2208 2.0352 2.0352 2.7600 2.7600 2.9213 2.9213 8.0866 8.0866 12.1347 12.1347 12.8941 12.8941 14.5703 14.5703 k = 0.5595-0.1856 0.4082 ( 2662 PWs) bands (ev): -46.8055 -46.8055 -46.7818 -46.7818 -18.9964 -18.9964 -18.9588 -18.9588 -18.8245 -18.8245 -18.6517 -18.6517 -18.5615 -18.5615 -18.5529 -18.5529 -11.2207 -11.2207 2.0229 2.0229 2.7825 2.7825 2.9177 2.9177 8.0526 8.0526 12.1290 12.1290 12.9914 12.9914 14.5853 14.5853 k = 0.5536-0.1959 0.4082 ( 2658 PWs) bands (ev): -46.8059 -46.8059 -46.7815 -46.7815 -18.9971 -18.9971 -18.9601 -18.9601 -18.8258 -18.8258 -18.6501 -18.6501 -18.5612 -18.5612 -18.5511 -18.5511 -11.2206 -11.2206 2.0117 2.0117 2.8033 2.8033 2.9144 2.9144 8.0212 8.0212 12.1240 12.1240 13.0842 13.0842 14.5991 14.5991 k = 0.5476-0.2062 0.4082 ( 2670 PWs) bands (ev): -46.8062 -46.8062 -46.7811 -46.7811 -18.9979 -18.9979 -18.9613 -18.9613 -18.8270 -18.8270 -18.6489 -18.6489 -18.5610 -18.5610 -18.5497 -18.5497 -11.2205 -11.2205 2.0015 2.0015 2.8223 2.8223 2.9114 2.9114 7.9927 7.9927 12.1196 12.1196 13.1713 13.1713 14.6117 14.6117 k = 0.5417-0.2165 0.4082 ( 2670 PWs) bands (ev): -46.8065 -46.8065 -46.7808 -46.7808 -18.9985 -18.9985 -18.9624 -18.9624 -18.8280 -18.8280 -18.6476 -18.6476 -18.5608 -18.5608 -18.5483 -18.5483 -11.2205 -11.2205 1.9926 1.9926 2.8394 2.8394 2.9089 2.9089 7.9672 7.9672 12.1158 12.1158 13.2516 13.2516 14.6229 14.6229 k = 0.5357-0.2268 0.4082 ( 2674 PWs) bands (ev): -46.8068 -46.8068 -46.7806 -46.7806 -18.9990 -18.9990 -18.9635 -18.9635 -18.8290 -18.8290 -18.6466 -18.6466 -18.5606 -18.5606 -18.5471 -18.5471 -11.2205 -11.2205 1.9847 1.9847 2.8544 2.8544 2.9068 2.9068 7.9449 7.9449 12.1126 12.1126 13.3240 13.3240 14.6329 14.6329 k = 0.5298-0.2371 0.4082 ( 2670 PWs) bands (ev): -46.8070 -46.8070 -46.7804 -46.7804 -18.9994 -18.9994 -18.9643 -18.9643 -18.8298 -18.8298 -18.6456 -18.6456 -18.5605 -18.5605 -18.5460 -18.5460 -11.2205 -11.2205 1.9780 1.9780 2.8671 2.8671 2.9052 2.9052 7.9258 7.9258 12.1099 12.1099 13.3875 13.3875 14.6413 14.6413 k = 0.5238-0.2474 0.4082 ( 2678 PWs) bands (ev): -46.8072 -46.8072 -46.7802 -46.7802 -18.9998 -18.9998 -18.9649 -18.9649 -18.8304 -18.8304 -18.6450 -18.6450 -18.5603 -18.5603 -18.5453 -18.5453 -11.2205 -11.2205 1.9725 1.9725 2.8772 2.8772 2.9042 2.9042 7.9100 7.9100 12.1077 12.1077 13.4408 13.4408 14.6482 14.6482 k = 0.5179-0.2577 0.4082 ( 2678 PWs) bands (ev): -46.8073 -46.8073 -46.7801 -46.7801 -19.0001 -19.0001 -18.9655 -18.9655 -18.8309 -18.8309 -18.6444 -18.6444 -18.5602 -18.5602 -18.5447 -18.5447 -11.2205 -11.2205 1.9683 1.9683 2.8846 2.8846 2.9041 2.9041 7.8977 7.8977 12.1060 12.1060 13.4832 13.4832 14.6535 14.6535 k = 0.5119-0.2681 0.4082 ( 2694 PWs) bands (ev): -46.8074 -46.8074 -46.7800 -46.7800 -19.0003 -19.0003 -18.9661 -18.9661 -18.8314 -18.8314 -18.6440 -18.6440 -18.5603 -18.5603 -18.5442 -18.5442 -11.2205 -11.2205 1.9652 1.9652 2.8890 2.8890 2.9048 2.9048 7.8888 7.8888 12.1048 12.1048 13.5139 13.5139 14.6567 14.6567 k = 0.5060-0.2784 0.4082 ( 2698 PWs) bands (ev): -46.8074 -46.8074 -46.7800 -46.7800 -19.0004 -19.0004 -18.9664 -18.9664 -18.8317 -18.8317 -18.6437 -18.6437 -18.5603 -18.5603 -18.5439 -18.5439 -11.2205 -11.2205 1.9633 1.9633 2.8911 2.8911 2.9059 2.9059 7.8834 7.8834 12.1041 12.1041 13.5325 13.5325 14.6579 14.6579 k = 0.5000-0.2887 0.4082 ( 2698 PWs) bands (ev): -46.8075 -46.8075 -46.7800 -46.7800 -19.0004 -19.0004 -18.9664 -18.9664 -18.8318 -18.8318 -18.6436 -18.6436 -18.5603 -18.5603 -18.5438 -18.5438 -11.2205 -11.2205 1.9627 1.9627 2.8917 2.8917 2.9064 2.9064 7.8817 7.8817 12.1038 12.1038 13.5387 13.5387 14.6579 14.6579 Writing output data file Na2O.save init_run : 0.06s CPU 0.18s WALL ( 1 calls) electrons : 57.10s CPU 58.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 57.09s CPU 58.24s 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 : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 381 calls) cegterg : 52.10s CPU 52.78s WALL ( 384 calls) Called by sum_band: Called by *egterg: h_psi : 31.87s CPU 32.49s WALL ( 5327 calls) s_psi : 0.40s CPU 0.38s WALL ( 5327 calls) g_psi : 0.05s CPU 0.07s WALL ( 4562 calls) cdiaghg : 20.58s CPU 20.91s WALL ( 4943 calls) cegterg:over : 1.57s CPU 1.48s WALL ( 4562 calls) cegterg:upda : 1.02s CPU 1.03s WALL ( 4562 calls) cegterg:last : 0.51s CPU 0.51s WALL ( 819 calls) cdiaghg:chol : 0.99s CPU 1.03s WALL ( 4943 calls) cdiaghg:inve : 0.57s CPU 0.62s WALL ( 4943 calls) cdiaghg:para : 1.13s CPU 1.16s WALL ( 9886 calls) Called by h_psi: h_psi:vloc : 30.71s CPU 31.37s WALL ( 5327 calls) h_psi:vnl : 1.12s CPU 1.08s WALL ( 5327 calls) add_vuspsi : 0.45s CPU 0.46s WALL ( 5327 calls) General routines calbec : 0.65s CPU 0.62s WALL ( 5327 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.06s CPU 29.62s WALL ( 382448 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.15s WALL ( 762 calls) Parallel routines fft_scatter : 10.26s CPU 10.56s WALL ( 382471 calls) PWSCF : 1m 6.64s CPU 1m19.36s WALL This run was terminated on: 20:56:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=