Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:30: 2 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: ./CaO2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 21 6 682 292 49 Max 38 22 7 685 308 53 Sum 1347 781 239 24585 10813 1825 bravais-lattice index = 14 lattice parameter (alat) = 7.3278 a.u. unit-cell volume = 250.6881 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.327807 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.582684 celldm(5)= -0.582684 celldm(6)= 0.165368 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.165368 0.986232 0.000000 ) a(3) = ( -0.582684 -0.493116 0.646000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.167676 0.773994 ) b(2) = ( 0.000000 1.013960 0.773994 ) b(3) = ( 0.000000 0.000000 1.547988 ) 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ca 10.00 40.07800 Ca( 1.00) 4 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 449 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( 0.0000000 0.0000000 0.0122856), wk = 0.0022272 k( 3) = ( 0.0000000 0.0000000 0.0245712), wk = 0.0022272 k( 4) = ( 0.0000000 0.0000000 0.0368568), wk = 0.0022272 k( 5) = ( 0.0000000 0.0000000 0.0491425), wk = 0.0022272 k( 6) = ( 0.0000000 0.0000000 0.0614281), wk = 0.0022272 k( 7) = ( 0.0000000 0.0000000 0.0737137), wk = 0.0022272 k( 8) = ( 0.0000000 0.0000000 0.0859993), wk = 0.0022272 k( 9) = ( 0.0000000 0.0000000 0.0982849), wk = 0.0022272 k( 10) = ( 0.0000000 0.0000000 0.1105705), wk = 0.0022272 k( 11) = ( 0.0000000 0.0000000 0.1228562), wk = 0.0022272 k( 12) = ( 0.0000000 0.0000000 0.1351418), wk = 0.0022272 k( 13) = ( 0.0000000 0.0000000 0.1474274), wk = 0.0022272 k( 14) = ( 0.0000000 0.0000000 0.1597130), wk = 0.0022272 k( 15) = ( 0.0000000 0.0000000 0.1719986), wk = 0.0022272 k( 16) = ( 0.0000000 0.0000000 0.1842842), wk = 0.0022272 k( 17) = ( 0.0000000 0.0000000 0.1965698), wk = 0.0022272 k( 18) = ( 0.0000000 0.0000000 0.2088555), wk = 0.0022272 k( 19) = ( 0.0000000 0.0000000 0.2211411), wk = 0.0022272 k( 20) = ( 0.0000000 0.0000000 0.2334267), wk = 0.0022272 k( 21) = ( 0.0000000 0.0000000 0.2457123), wk = 0.0022272 k( 22) = ( 0.0000000 0.0000000 0.2579979), wk = 0.0022272 k( 23) = ( 0.0000000 0.0000000 0.2702835), wk = 0.0022272 k( 24) = ( 0.0000000 0.0000000 0.2825691), wk = 0.0022272 k( 25) = ( 0.0000000 0.0000000 0.2948548), wk = 0.0022272 k( 26) = ( 0.0000000 0.0000000 0.3071404), wk = 0.0022272 k( 27) = ( 0.0000000 0.0000000 0.3194260), wk = 0.0022272 k( 28) = ( 0.0000000 0.0000000 0.3317116), wk = 0.0022272 k( 29) = ( 0.0000000 0.0000000 0.3439972), wk = 0.0022272 k( 30) = ( 0.0000000 0.0000000 0.3562828), wk = 0.0022272 k( 31) = ( 0.0000000 0.0000000 0.3685685), wk = 0.0022272 k( 32) = ( 0.0000000 0.0000000 0.3808541), wk = 0.0022272 k( 33) = ( 0.0000000 0.0000000 0.3931397), wk = 0.0022272 k( 34) = ( 0.0000000 0.0000000 0.4054253), wk = 0.0022272 k( 35) = ( 0.0000000 0.0000000 0.4177109), wk = 0.0022272 k( 36) = ( 0.0000000 0.0000000 0.4299965), wk = 0.0022272 k( 37) = ( 0.0000000 0.0000000 0.4422822), wk = 0.0022272 k( 38) = ( 0.0000000 0.0000000 0.4545678), wk = 0.0022272 k( 39) = ( 0.0000000 0.0000000 0.4668534), wk = 0.0022272 k( 40) = ( 0.0000000 0.0000000 0.4791390), wk = 0.0022272 k( 41) = ( 0.0000000 0.0000000 0.4914246), wk = 0.0022272 k( 42) = ( 0.0000000 0.0000000 0.5037102), wk = 0.0022272 k( 43) = ( 0.0000000 0.0000000 0.5159958), wk = 0.0022272 k( 44) = ( 0.0000000 0.0000000 0.5282815), wk = 0.0022272 k( 45) = ( 0.0000000 0.0000000 0.5405671), wk = 0.0022272 k( 46) = ( 0.0000000 0.0000000 0.5528527), wk = 0.0022272 k( 47) = ( 0.0000000 0.0000000 0.5651383), wk = 0.0022272 k( 48) = ( 0.0000000 0.0000000 0.5774239), wk = 0.0022272 k( 49) = ( 0.0000000 0.0000000 0.5897095), wk = 0.0022272 k( 50) = ( 0.0000000 0.0000000 0.6019951), wk = 0.0022272 k( 51) = ( 0.0000000 0.0000000 0.6142808), wk = 0.0022272 k( 52) = ( 0.0000000 0.0000000 0.6265664), wk = 0.0022272 k( 53) = ( 0.0000000 0.0000000 0.6388520), wk = 0.0022272 k( 54) = ( 0.0000000 0.0000000 0.6511376), wk = 0.0022272 k( 55) = ( 0.0000000 0.0000000 0.6634232), wk = 0.0022272 k( 56) = ( 0.0000000 0.0000000 0.6757088), wk = 0.0022272 k( 57) = ( 0.0000000 0.0000000 0.6879944), wk = 0.0022272 k( 58) = ( 0.0000000 0.0000000 0.7002801), wk = 0.0022272 k( 59) = ( 0.0000000 0.0000000 0.7125657), wk = 0.0022272 k( 60) = ( 0.0000000 0.0000000 0.7248513), wk = 0.0022272 k( 61) = ( 0.0000000 0.0000000 0.7371369), wk = 0.0022272 k( 62) = ( 0.0000000 0.0000000 0.7494225), wk = 0.0022272 k( 63) = ( 0.0000000 0.0000000 0.7617081), wk = 0.0022272 k( 64) = ( 0.0000000 0.0000000 0.7739938), wk = 0.0022272 k( 65) = ( 0.0000000 0.0000000 0.7739938), wk = 0.0022272 k( 66) = ( -0.0077847 0.0091987 0.7739938), wk = 0.0022272 k( 67) = ( -0.0155695 0.0183975 0.7739938), wk = 0.0022272 k( 68) = ( -0.0233542 0.0275962 0.7739938), wk = 0.0022272 k( 69) = ( -0.0311390 0.0367950 0.7739938), wk = 0.0022272 k( 70) = ( -0.0389237 0.0459937 0.7739938), wk = 0.0022272 k( 71) = ( -0.0467084 0.0551924 0.7739938), wk = 0.0022272 k( 72) = ( -0.0544932 0.0643912 0.7739938), wk = 0.0022272 k( 73) = ( -0.0622779 0.0735899 0.7739938), wk = 0.0022272 k( 74) = ( -0.0700627 0.0827886 0.7739938), wk = 0.0022272 k( 75) = ( -0.0778474 0.0919874 0.7739938), wk = 0.0022272 k( 76) = ( -0.0856322 0.1011861 0.7739938), wk = 0.0022272 k( 77) = ( -0.0934169 0.1103848 0.7739938), wk = 0.0022272 k( 78) = ( -0.1012016 0.1195836 0.7739938), wk = 0.0022272 k( 79) = ( -0.1089864 0.1287823 0.7739938), wk = 0.0022272 k( 80) = ( -0.1167711 0.1379811 0.7739938), wk = 0.0022272 k( 81) = ( -0.1245559 0.1471798 0.7739938), wk = 0.0022272 k( 82) = ( -0.1323406 0.1563785 0.7739938), wk = 0.0022272 k( 83) = ( -0.1401254 0.1655773 0.7739938), wk = 0.0022272 k( 84) = ( -0.1479101 0.1747760 0.7739938), wk = 0.0022272 k( 85) = ( -0.1556948 0.1839747 0.7739938), wk = 0.0022272 k( 86) = ( -0.1634796 0.1931735 0.7739938), wk = 0.0022272 k( 87) = ( -0.1712643 0.2023722 0.7739938), wk = 0.0022272 k( 88) = ( -0.1790491 0.2115709 0.7739938), wk = 0.0022272 k( 89) = ( -0.1790491 0.2115709 0.7739938), wk = 0.0022272 k( 90) = ( -0.1845827 0.2181097 0.7654278), wk = 0.0022272 k( 91) = ( -0.1901163 0.2246484 0.7568618), wk = 0.0022272 k( 92) = ( -0.1956500 0.2311872 0.7482958), wk = 0.0022272 k( 93) = ( -0.2011836 0.2377259 0.7397298), wk = 0.0022272 k( 94) = ( -0.2067172 0.2442647 0.7311638), wk = 0.0022272 k( 95) = ( -0.2122509 0.2508034 0.7225978), wk = 0.0022272 k( 96) = ( -0.2177845 0.2573422 0.7140318), wk = 0.0022272 k( 97) = ( -0.2233182 0.2638809 0.7054657), wk = 0.0022272 k( 98) = ( -0.2288518 0.2704197 0.6968998), wk = 0.0022272 k( 99) = ( -0.2343854 0.2769584 0.6883337), wk = 0.0022272 k( 100) = ( -0.2399191 0.2834972 0.6797677), wk = 0.0022272 k( 101) = ( -0.2454527 0.2900359 0.6712018), wk = 0.0022272 k( 102) = ( -0.2509863 0.2965747 0.6626357), wk = 0.0022272 k( 103) = ( -0.2565200 0.3031134 0.6540697), wk = 0.0022272 k( 104) = ( -0.2620536 0.3096522 0.6455038), wk = 0.0022272 k( 105) = ( -0.2675872 0.3161909 0.6369377), wk = 0.0022272 k( 106) = ( -0.2731209 0.3227297 0.6283717), wk = 0.0022272 k( 107) = ( -0.2786545 0.3292684 0.6198057), wk = 0.0022272 k( 108) = ( -0.2841882 0.3358072 0.6112397), wk = 0.0022272 k( 109) = ( -0.2897218 0.3423459 0.6026737), wk = 0.0022272 k( 110) = ( -0.2952554 0.3488847 0.5941077), wk = 0.0022272 k( 111) = ( -0.3007891 0.3554234 0.5855417), wk = 0.0022272 k( 112) = ( -0.3063227 0.3619622 0.5769757), wk = 0.0022272 k( 113) = ( -0.3118564 0.3685009 0.5684097), wk = 0.0022272 k( 114) = ( -0.3173900 0.3750397 0.5598437), wk = 0.0022272 k( 115) = ( -0.3229236 0.3815784 0.5512777), wk = 0.0022272 k( 116) = ( -0.3284573 0.3881172 0.5427117), wk = 0.0022272 k( 117) = ( -0.3339909 0.3946559 0.5341457), wk = 0.0022272 k( 118) = ( -0.3395245 0.4011947 0.5255797), wk = 0.0022272 k( 119) = ( -0.3395245 0.4011947 0.5255797), wk = 0.0022272 k( 120) = ( -0.3339586 0.3946177 0.5169637), wk = 0.0022272 k( 121) = ( -0.3283926 0.3880407 0.5083476), wk = 0.0022272 k( 122) = ( -0.3228266 0.3814638 0.4997315), wk = 0.0022272 k( 123) = ( -0.3172606 0.3748868 0.4911155), wk = 0.0022272 k( 124) = ( -0.3116947 0.3683098 0.4824994), wk = 0.0022272 k( 125) = ( -0.3061287 0.3617329 0.4738834), wk = 0.0022272 k( 126) = ( -0.3005627 0.3551559 0.4652673), wk = 0.0022272 k( 127) = ( -0.2949967 0.3485790 0.4566512), wk = 0.0022272 k( 128) = ( -0.2894308 0.3420020 0.4480352), wk = 0.0022272 k( 129) = ( -0.2838648 0.3354250 0.4394191), wk = 0.0022272 k( 130) = ( -0.2782988 0.3288481 0.4308031), wk = 0.0022272 k( 131) = ( -0.2727328 0.3222711 0.4221870), wk = 0.0022272 k( 132) = ( -0.2671668 0.3156942 0.4135709), wk = 0.0022272 k( 133) = ( -0.2616009 0.3091172 0.4049549), wk = 0.0022272 k( 134) = ( -0.2560349 0.3025402 0.3963388), wk = 0.0022272 k( 135) = ( -0.2504689 0.2959633 0.3877228), wk = 0.0022272 k( 136) = ( -0.2449029 0.2893863 0.3791067), wk = 0.0022272 k( 137) = ( -0.2393370 0.2828093 0.3704906), wk = 0.0022272 k( 138) = ( -0.2337710 0.2762324 0.3618746), wk = 0.0022272 k( 139) = ( -0.2282050 0.2696554 0.3532585), wk = 0.0022272 k( 140) = ( -0.2226390 0.2630785 0.3446425), wk = 0.0022272 k( 141) = ( -0.2170731 0.2565015 0.3360264), wk = 0.0022272 k( 142) = ( -0.2115071 0.2499245 0.3274103), wk = 0.0022272 k( 143) = ( -0.2059411 0.2433476 0.3187943), wk = 0.0022272 k( 144) = ( -0.2003751 0.2367706 0.3101782), wk = 0.0022272 k( 145) = ( -0.1948092 0.2301937 0.3015621), wk = 0.0022272 k( 146) = ( -0.1892432 0.2236167 0.2929461), wk = 0.0022272 k( 147) = ( -0.1836772 0.2170397 0.2843300), wk = 0.0022272 k( 148) = ( -0.1781112 0.2104628 0.2757140), wk = 0.0022272 k( 149) = ( -0.1725453 0.2038858 0.2670979), wk = 0.0022272 k( 150) = ( -0.1669793 0.1973088 0.2584818), wk = 0.0022272 k( 151) = ( -0.1614133 0.1907319 0.2498658), wk = 0.0022272 k( 152) = ( -0.1558473 0.1841549 0.2412497), wk = 0.0022272 k( 153) = ( -0.1502814 0.1775780 0.2326337), wk = 0.0022272 k( 154) = ( -0.1447154 0.1710010 0.2240176), wk = 0.0022272 k( 155) = ( -0.1391494 0.1644240 0.2154015), wk = 0.0022272 k( 156) = ( -0.1335834 0.1578471 0.2067855), wk = 0.0022272 k( 157) = ( -0.1280175 0.1512701 0.1981694), wk = 0.0022272 k( 158) = ( -0.1224515 0.1446932 0.1895533), wk = 0.0022272 k( 159) = ( -0.1168855 0.1381162 0.1809373), wk = 0.0022272 k( 160) = ( -0.1113195 0.1315392 0.1723212), wk = 0.0022272 k( 161) = ( -0.1057535 0.1249623 0.1637052), wk = 0.0022272 k( 162) = ( -0.1001876 0.1183853 0.1550891), wk = 0.0022272 k( 163) = ( -0.0946216 0.1118083 0.1464730), wk = 0.0022272 k( 164) = ( -0.0890556 0.1052314 0.1378570), wk = 0.0022272 k( 165) = ( -0.0834896 0.0986544 0.1292409), wk = 0.0022272 k( 166) = ( -0.0779237 0.0920775 0.1206249), wk = 0.0022272 k( 167) = ( -0.0723577 0.0855005 0.1120088), wk = 0.0022272 k( 168) = ( -0.0667917 0.0789235 0.1033927), wk = 0.0022272 k( 169) = ( -0.0612257 0.0723466 0.0947767), wk = 0.0022272 k( 170) = ( -0.0556598 0.0657696 0.0861606), wk = 0.0022272 k( 171) = ( -0.0500938 0.0591927 0.0775445), wk = 0.0022272 k( 172) = ( -0.0445278 0.0526157 0.0689285), wk = 0.0022272 k( 173) = ( -0.0389618 0.0460387 0.0603124), wk = 0.0022272 k( 174) = ( -0.0333959 0.0394618 0.0516964), wk = 0.0022272 k( 175) = ( -0.0278299 0.0328848 0.0430803), wk = 0.0022272 k( 176) = ( -0.0222639 0.0263078 0.0344642), wk = 0.0022272 k( 177) = ( -0.0166979 0.0197309 0.0258482), wk = 0.0022272 k( 178) = ( -0.0111319 0.0131539 0.0172321), wk = 0.0022272 k( 179) = ( -0.0055660 0.0065770 0.0086161), wk = 0.0022272 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 182) = ( 0.0092593 0.0078360 -0.0000000), wk = 0.0022272 k( 183) = ( 0.0185185 0.0156719 -0.0000000), wk = 0.0022272 k( 184) = ( 0.0277778 0.0235079 -0.0000000), wk = 0.0022272 k( 185) = ( 0.0370370 0.0313438 -0.0000000), wk = 0.0022272 k( 186) = ( 0.0462963 0.0391798 -0.0000000), wk = 0.0022272 k( 187) = ( 0.0555556 0.0470158 -0.0000000), wk = 0.0022272 k( 188) = ( 0.0648148 0.0548517 -0.0000000), wk = 0.0022272 k( 189) = ( 0.0740741 0.0626877 -0.0000000), wk = 0.0022272 k( 190) = ( 0.0833333 0.0705236 -0.0000000), wk = 0.0022272 k( 191) = ( 0.0925926 0.0783596 -0.0000000), wk = 0.0022272 k( 192) = ( 0.1018518 0.0861956 -0.0000000), wk = 0.0022272 k( 193) = ( 0.1111111 0.0940315 -0.0000000), wk = 0.0022272 k( 194) = ( 0.1203704 0.1018675 -0.0000000), wk = 0.0022272 k( 195) = ( 0.1296296 0.1097035 -0.0000000), wk = 0.0022272 k( 196) = ( 0.1388889 0.1175394 -0.0000000), wk = 0.0022272 k( 197) = ( 0.1481482 0.1253754 -0.0000000), wk = 0.0022272 k( 198) = ( 0.1574074 0.1332113 -0.0000000), wk = 0.0022272 k( 199) = ( 0.1666667 0.1410473 -0.0000000), wk = 0.0022272 k( 200) = ( 0.1759259 0.1488833 0.0000000), wk = 0.0022272 k( 201) = ( 0.1851852 0.1567192 -0.0000000), wk = 0.0022272 k( 202) = ( 0.1944444 0.1645552 -0.0000000), wk = 0.0022272 k( 203) = ( 0.2037037 0.1723911 -0.0000000), wk = 0.0022272 k( 204) = ( 0.2129630 0.1802271 -0.0000000), wk = 0.0022272 k( 205) = ( 0.2222222 0.1880631 -0.0000000), wk = 0.0022272 k( 206) = ( 0.2314815 0.1958990 -0.0000000), wk = 0.0022272 k( 207) = ( 0.2407407 0.2037350 -0.0000000), wk = 0.0022272 k( 208) = ( 0.2500000 0.2115709 -0.0000000), wk = 0.0022272 k( 209) = ( 0.2592593 0.2194069 -0.0000000), wk = 0.0022272 k( 210) = ( 0.2685185 0.2272429 -0.0000000), wk = 0.0022272 k( 211) = ( 0.2777778 0.2350788 -0.0000000), wk = 0.0022272 k( 212) = ( 0.2870370 0.2429148 -0.0000000), wk = 0.0022272 k( 213) = ( 0.2962963 0.2507508 -0.0000000), wk = 0.0022272 k( 214) = ( 0.3055556 0.2585867 -0.0000000), wk = 0.0022272 k( 215) = ( 0.3148148 0.2664227 -0.0000000), wk = 0.0022272 k( 216) = ( 0.3240741 0.2742586 -0.0000000), wk = 0.0022272 k( 217) = ( 0.3333333 0.2820946 -0.0000000), wk = 0.0022272 k( 218) = ( 0.3425926 0.2899306 -0.0000000), wk = 0.0022272 k( 219) = ( 0.3518519 0.2977665 -0.0000000), wk = 0.0022272 k( 220) = ( 0.3611111 0.3056025 -0.0000000), wk = 0.0022272 k( 221) = ( 0.3703704 0.3134384 -0.0000000), wk = 0.0022272 k( 222) = ( 0.3796296 0.3212744 0.0000000), wk = 0.0022272 k( 223) = ( 0.3888889 0.3291104 -0.0000000), wk = 0.0022272 k( 224) = ( 0.3981481 0.3369463 0.0000000), wk = 0.0022272 k( 225) = ( 0.4074074 0.3447823 -0.0000000), wk = 0.0022272 k( 226) = ( 0.4166667 0.3526182 -0.0000000), wk = 0.0022272 k( 227) = ( 0.4259259 0.3604542 0.0000000), wk = 0.0022272 k( 228) = ( 0.4351852 0.3682902 -0.0000000), wk = 0.0022272 k( 229) = ( 0.4444444 0.3761261 -0.0000000), wk = 0.0022272 k( 230) = ( 0.4537037 0.3839621 -0.0000000), wk = 0.0022272 k( 231) = ( 0.4629630 0.3917980 -0.0000000), wk = 0.0022272 k( 232) = ( 0.4722222 0.3996340 -0.0000000), wk = 0.0022272 k( 233) = ( 0.4814815 0.4074700 -0.0000000), wk = 0.0022272 k( 234) = ( 0.4907407 0.4153059 -0.0000000), wk = 0.0022272 k( 235) = ( 0.5000000 0.4231419 -0.0000000), wk = 0.0022272 k( 236) = ( 0.5000000 0.4231419 -0.0000000), wk = 0.0022272 k( 237) = ( 0.4944664 0.4296806 0.0085660), wk = 0.0022272 k( 238) = ( 0.4889327 0.4362194 0.0171320), wk = 0.0022272 k( 239) = ( 0.4833991 0.4427581 0.0256980), wk = 0.0022272 k( 240) = ( 0.4778655 0.4492969 0.0342640), wk = 0.0022272 k( 241) = ( 0.4723318 0.4558356 0.0428300), wk = 0.0022272 k( 242) = ( 0.4667982 0.4623744 0.0513960), wk = 0.0022272 k( 243) = ( 0.4612645 0.4689131 0.0599620), wk = 0.0022272 k( 244) = ( 0.4557309 0.4754519 0.0685280), wk = 0.0022272 k( 245) = ( 0.4501973 0.4819906 0.0770940), wk = 0.0022272 k( 246) = ( 0.4446636 0.4885294 0.0856600), wk = 0.0022272 k( 247) = ( 0.4391300 0.4950681 0.0942260), wk = 0.0022272 k( 248) = ( 0.4335964 0.5016069 0.1027920), wk = 0.0022272 k( 249) = ( 0.4280627 0.5081456 0.1113580), wk = 0.0022272 k( 250) = ( 0.4225291 0.5146844 0.1199240), wk = 0.0022272 k( 251) = ( 0.4169954 0.5212231 0.1284900), wk = 0.0022272 k( 252) = ( 0.4114618 0.5277619 0.1370560), wk = 0.0022272 k( 253) = ( 0.4059282 0.5343006 0.1456220), wk = 0.0022272 k( 254) = ( 0.4003945 0.5408394 0.1541880), wk = 0.0022272 k( 255) = ( 0.3948609 0.5473781 0.1627540), wk = 0.0022272 k( 256) = ( 0.3893273 0.5539169 0.1713200), wk = 0.0022272 k( 257) = ( 0.3837936 0.5604556 0.1798860), wk = 0.0022272 k( 258) = ( 0.3782600 0.5669944 0.1884520), wk = 0.0022272 k( 259) = ( 0.3727263 0.5735331 0.1970180), wk = 0.0022272 k( 260) = ( 0.3671927 0.5800719 0.2055840), wk = 0.0022272 k( 261) = ( 0.3616591 0.5866106 0.2141500), wk = 0.0022272 k( 262) = ( 0.3561254 0.5931494 0.2227160), wk = 0.0022272 k( 263) = ( 0.3505918 0.5996881 0.2312820), wk = 0.0022272 k( 264) = ( 0.3450582 0.6062268 0.2398480), wk = 0.0022272 k( 265) = ( 0.3395245 0.6127656 0.2484140), wk = 0.0022272 k( 266) = ( 0.3395245 0.6127656 0.2484140), wk = 0.0022272 k( 267) = ( 0.3285721 0.6093532 0.2528844), wk = 0.0022272 k( 268) = ( 0.3176197 0.6059407 0.2573549), wk = 0.0022272 k( 269) = ( 0.3066673 0.6025283 0.2618253), wk = 0.0022272 k( 270) = ( 0.2957149 0.5991159 0.2662957), wk = 0.0022272 k( 271) = ( 0.2847625 0.5957034 0.2707661), wk = 0.0022272 k( 272) = ( 0.2738101 0.5922910 0.2752365), wk = 0.0022272 k( 273) = ( 0.2628577 0.5888786 0.2797069), wk = 0.0022272 k( 274) = ( 0.2519053 0.5854661 0.2841773), wk = 0.0022272 k( 275) = ( 0.2409529 0.5820537 0.2886478), wk = 0.0022272 k( 276) = ( 0.2300005 0.5786413 0.2931182), wk = 0.0022272 k( 277) = ( 0.2190481 0.5752288 0.2975886), wk = 0.0022272 k( 278) = ( 0.2080957 0.5718164 0.3020590), wk = 0.0022272 k( 279) = ( 0.1971433 0.5684039 0.3065294), wk = 0.0022272 k( 280) = ( 0.1861909 0.5649915 0.3109998), wk = 0.0022272 k( 281) = ( 0.1752385 0.5615791 0.3154702), wk = 0.0022272 k( 282) = ( 0.1642861 0.5581666 0.3199407), wk = 0.0022272 k( 283) = ( 0.1533337 0.5547542 0.3244111), wk = 0.0022272 k( 284) = ( 0.1423812 0.5513418 0.3288815), wk = 0.0022272 k( 285) = ( 0.1314289 0.5479293 0.3333519), wk = 0.0022272 k( 286) = ( 0.1204764 0.5445169 0.3378223), wk = 0.0022272 k( 287) = ( 0.1095240 0.5411045 0.3422927), wk = 0.0022272 k( 288) = ( 0.0985716 0.5376920 0.3467631), wk = 0.0022272 k( 289) = ( 0.0876192 0.5342796 0.3512336), wk = 0.0022272 k( 290) = ( 0.0766668 0.5308672 0.3557040), wk = 0.0022272 k( 291) = ( 0.0657144 0.5274547 0.3601744), wk = 0.0022272 k( 292) = ( 0.0547620 0.5240423 0.3646448), wk = 0.0022272 k( 293) = ( 0.0438096 0.5206299 0.3691152), wk = 0.0022272 k( 294) = ( 0.0328572 0.5172174 0.3735856), wk = 0.0022272 k( 295) = ( 0.0219048 0.5138050 0.3780561), wk = 0.0022272 k( 296) = ( 0.0109524 0.5103926 0.3825265), wk = 0.0022272 k( 297) = ( 0.0000000 0.5069801 0.3869969), wk = 0.0022272 k( 298) = ( 0.0000000 0.5069801 0.3869969), wk = 0.0022272 k( 299) = ( 0.0055556 0.5004155 0.3955968), wk = 0.0022272 k( 300) = ( 0.0111111 0.4938508 0.4041967), wk = 0.0022272 k( 301) = ( 0.0166667 0.4872862 0.4127967), wk = 0.0022272 k( 302) = ( 0.0222222 0.4807215 0.4213966), wk = 0.0022272 k( 303) = ( 0.0277778 0.4741569 0.4299965), wk = 0.0022272 k( 304) = ( 0.0333333 0.4675922 0.4385965), wk = 0.0022272 k( 305) = ( 0.0388889 0.4610276 0.4471964), wk = 0.0022272 k( 306) = ( 0.0444444 0.4544629 0.4557963), wk = 0.0022272 k( 307) = ( 0.0500000 0.4478983 0.4643963), wk = 0.0022272 k( 308) = ( 0.0555556 0.4413336 0.4729962), wk = 0.0022272 k( 309) = ( 0.0611111 0.4347690 0.4815961), wk = 0.0022272 k( 310) = ( 0.0666667 0.4282043 0.4901961), wk = 0.0022272 k( 311) = ( 0.0722222 0.4216397 0.4987960), wk = 0.0022272 k( 312) = ( 0.0777778 0.4150750 0.5073959), wk = 0.0022272 k( 313) = ( 0.0833333 0.4085104 0.5159958), wk = 0.0022272 k( 314) = ( 0.0888889 0.4019458 0.5245958), wk = 0.0022272 k( 315) = ( 0.0944444 0.3953811 0.5331957), wk = 0.0022272 k( 316) = ( 0.1000000 0.3888165 0.5417956), wk = 0.0022272 k( 317) = ( 0.1055556 0.3822518 0.5503956), wk = 0.0022272 k( 318) = ( 0.1111111 0.3756872 0.5589955), wk = 0.0022272 k( 319) = ( 0.1166667 0.3691225 0.5675954), wk = 0.0022272 k( 320) = ( 0.1222222 0.3625579 0.5761954), wk = 0.0022272 k( 321) = ( 0.1277778 0.3559932 0.5847953), wk = 0.0022272 k( 322) = ( 0.1333333 0.3494286 0.5933952), wk = 0.0022272 k( 323) = ( 0.1388889 0.3428639 0.6019951), wk = 0.0022272 k( 324) = ( 0.1444444 0.3362993 0.6105951), wk = 0.0022272 k( 325) = ( 0.1500000 0.3297346 0.6191950), wk = 0.0022272 k( 326) = ( 0.1555556 0.3231700 0.6277949), wk = 0.0022272 k( 327) = ( 0.1611111 0.3166053 0.6363949), wk = 0.0022272 k( 328) = ( 0.1666667 0.3100407 0.6449948), wk = 0.0022272 k( 329) = ( 0.1722222 0.3034760 0.6535947), wk = 0.0022272 k( 330) = ( 0.1777778 0.2969114 0.6621947), wk = 0.0022272 k( 331) = ( 0.1833333 0.2903467 0.6707946), wk = 0.0022272 k( 332) = ( 0.1888889 0.2837821 0.6793945), wk = 0.0022272 k( 333) = ( 0.1944444 0.2772174 0.6879944), wk = 0.0022272 k( 334) = ( 0.2000000 0.2706528 0.6965944), wk = 0.0022272 k( 335) = ( 0.2055556 0.2640881 0.7051943), wk = 0.0022272 k( 336) = ( 0.2111111 0.2575235 0.7137942), wk = 0.0022272 k( 337) = ( 0.2166667 0.2509588 0.7223942), wk = 0.0022272 k( 338) = ( 0.2222222 0.2443942 0.7309941), wk = 0.0022272 k( 339) = ( 0.2277778 0.2378295 0.7395940), wk = 0.0022272 k( 340) = ( 0.2333333 0.2312649 0.7481940), wk = 0.0022272 k( 341) = ( 0.2388889 0.2247002 0.7567939), wk = 0.0022272 k( 342) = ( 0.2444444 0.2181356 0.7653938), wk = 0.0022272 k( 343) = ( 0.2500000 0.2115709 0.7739938), wk = 0.0022272 k( 344) = ( 0.2500000 0.2115709 0.7739938), wk = 0.0022272 k( 345) = ( 0.2571429 0.2176158 0.7660747), wk = 0.0022272 k( 346) = ( 0.2642857 0.2236607 0.7581557), wk = 0.0022272 k( 347) = ( 0.2714286 0.2297056 0.7502367), wk = 0.0022272 k( 348) = ( 0.2785714 0.2357505 0.7423177), wk = 0.0022272 k( 349) = ( 0.2857143 0.2417954 0.7343987), wk = 0.0022272 k( 350) = ( 0.2928571 0.2478402 0.7264796), wk = 0.0022272 k( 351) = ( 0.3000000 0.2538851 0.7185606), wk = 0.0022272 k( 352) = ( 0.3071429 0.2599300 0.7106416), wk = 0.0022272 k( 353) = ( 0.3142857 0.2659749 0.7027226), wk = 0.0022272 k( 354) = ( 0.3214286 0.2720198 0.6948035), wk = 0.0022272 k( 355) = ( 0.3285714 0.2780647 0.6868845), wk = 0.0022272 k( 356) = ( 0.3357143 0.2841096 0.6789655), wk = 0.0022272 k( 357) = ( 0.3428571 0.2901544 0.6710465), wk = 0.0022272 k( 358) = ( 0.3500000 0.2961993 0.6631275), wk = 0.0022272 k( 359) = ( 0.3571429 0.3022442 0.6552085), wk = 0.0022272 k( 360) = ( 0.3642857 0.3082891 0.6472894), wk = 0.0022272 k( 361) = ( 0.3714286 0.3143340 0.6393704), wk = 0.0022272 k( 362) = ( 0.3785714 0.3203789 0.6314514), wk = 0.0022272 k( 363) = ( 0.3857143 0.3264237 0.6235324), wk = 0.0022272 k( 364) = ( 0.3928571 0.3324686 0.6156134), wk = 0.0022272 k( 365) = ( 0.4000000 0.3385135 0.6076943), wk = 0.0022272 k( 366) = ( 0.4071429 0.3445584 0.5997753), wk = 0.0022272 k( 367) = ( 0.4142857 0.3506033 0.5918563), wk = 0.0022272 k( 368) = ( 0.4214286 0.3566482 0.5839373), wk = 0.0022272 k( 369) = ( 0.4285714 0.3626931 0.5760183), wk = 0.0022272 k( 370) = ( 0.4357143 0.3687379 0.5680992), wk = 0.0022272 k( 371) = ( 0.4428571 0.3747828 0.5601802), wk = 0.0022272 k( 372) = ( 0.4500000 0.3808277 0.5522612), wk = 0.0022272 k( 373) = ( 0.4571429 0.3868726 0.5443422), wk = 0.0022272 k( 374) = ( 0.4642857 0.3929175 0.5364231), wk = 0.0022272 k( 375) = ( 0.4714286 0.3989624 0.5285041), wk = 0.0022272 k( 376) = ( 0.4785714 0.4050072 0.5205851), wk = 0.0022272 k( 377) = ( 0.4857143 0.4110521 0.5126661), wk = 0.0022272 k( 378) = ( 0.4928571 0.4170970 0.5047471), wk = 0.0022272 k( 379) = ( 0.5000000 0.4231419 0.4968280), wk = 0.0022272 k( 380) = ( 0.5000000 0.4231419 0.4968280), wk = 0.0022272 k( 381) = ( 0.5000000 0.4231419 0.4847103), wk = 0.0022272 k( 382) = ( 0.5000000 0.4231419 0.4725925), wk = 0.0022272 k( 383) = ( 0.5000000 0.4231419 0.4604748), wk = 0.0022272 k( 384) = ( 0.5000000 0.4231419 0.4483570), wk = 0.0022272 k( 385) = ( 0.5000000 0.4231419 0.4362393), wk = 0.0022272 k( 386) = ( 0.5000000 0.4231419 0.4241215), wk = 0.0022272 k( 387) = ( 0.5000000 0.4231419 0.4120038), wk = 0.0022272 k( 388) = ( 0.5000000 0.4231419 0.3998860), wk = 0.0022272 k( 389) = ( 0.5000000 0.4231419 0.3877682), wk = 0.0022272 k( 390) = ( 0.5000000 0.4231419 0.3756505), wk = 0.0022272 k( 391) = ( 0.5000000 0.4231419 0.3635327), wk = 0.0022272 k( 392) = ( 0.5000000 0.4231419 0.3514150), wk = 0.0022272 k( 393) = ( 0.5000000 0.4231419 0.3392972), wk = 0.0022272 k( 394) = ( 0.5000000 0.4231419 0.3271795), wk = 0.0022272 k( 395) = ( 0.5000000 0.4231419 0.3150617), wk = 0.0022272 k( 396) = ( 0.5000000 0.4231419 0.3029439), wk = 0.0022272 k( 397) = ( 0.5000000 0.4231419 0.2908262), wk = 0.0022272 k( 398) = ( 0.5000000 0.4231419 0.2787084), wk = 0.0022272 k( 399) = ( 0.5000000 0.4231419 0.2665907), wk = 0.0022272 k( 400) = ( 0.5000000 0.4231419 0.2544729), wk = 0.0022272 k( 401) = ( 0.5000000 0.4231419 0.2423551), wk = 0.0022272 k( 402) = ( 0.5000000 0.4231419 0.2302374), wk = 0.0022272 k( 403) = ( 0.5000000 0.4231419 0.2181196), wk = 0.0022272 k( 404) = ( 0.5000000 0.4231419 0.2060019), wk = 0.0022272 k( 405) = ( 0.5000000 0.4231419 0.1938841), wk = 0.0022272 k( 406) = ( 0.5000000 0.4231419 0.1817664), wk = 0.0022272 k( 407) = ( 0.5000000 0.4231419 0.1696486), wk = 0.0022272 k( 408) = ( 0.5000000 0.4231419 0.1575308), wk = 0.0022272 k( 409) = ( 0.5000000 0.4231419 0.1454131), wk = 0.0022272 k( 410) = ( 0.5000000 0.4231419 0.1332953), wk = 0.0022272 k( 411) = ( 0.5000000 0.4231419 0.1211776), wk = 0.0022272 k( 412) = ( 0.5000000 0.4231419 0.1090598), wk = 0.0022272 k( 413) = ( 0.5000000 0.4231419 0.0969421), wk = 0.0022272 k( 414) = ( 0.5000000 0.4231419 0.0848243), wk = 0.0022272 k( 415) = ( 0.5000000 0.4231419 0.0727065), wk = 0.0022272 k( 416) = ( 0.5000000 0.4231419 0.0605888), wk = 0.0022272 k( 417) = ( 0.5000000 0.4231419 0.0484710), wk = 0.0022272 k( 418) = ( 0.5000000 0.4231419 0.0363533), wk = 0.0022272 k( 419) = ( 0.5000000 0.4231419 0.0242355), wk = 0.0022272 k( 420) = ( 0.5000000 0.4231419 0.0121178), wk = 0.0022272 k( 421) = ( 0.5000000 0.4231419 -0.0000000), wk = 0.0022272 k( 422) = ( 0.0000000 0.0000000 0.7739938), wk = 0.0022272 k( 423) = ( 0.0092593 0.0078360 0.7739938), wk = 0.0022272 k( 424) = ( 0.0185185 0.0156719 0.7739938), wk = 0.0022272 k( 425) = ( 0.0277778 0.0235079 0.7739938), wk = 0.0022272 k( 426) = ( 0.0370370 0.0313438 0.7739938), wk = 0.0022272 k( 427) = ( 0.0462963 0.0391798 0.7739938), wk = 0.0022272 k( 428) = ( 0.0555556 0.0470158 0.7739938), wk = 0.0022272 k( 429) = ( 0.0648148 0.0548517 0.7739938), wk = 0.0022272 k( 430) = ( 0.0740741 0.0626877 0.7739938), wk = 0.0022272 k( 431) = ( 0.0833333 0.0705236 0.7739938), wk = 0.0022272 k( 432) = ( 0.0925926 0.0783596 0.7739938), wk = 0.0022272 k( 433) = ( 0.1018518 0.0861956 0.7739938), wk = 0.0022272 k( 434) = ( 0.1111111 0.0940315 0.7739938), wk = 0.0022272 k( 435) = ( 0.1203704 0.1018675 0.7739938), wk = 0.0022272 k( 436) = ( 0.1296296 0.1097035 0.7739938), wk = 0.0022272 k( 437) = ( 0.1388889 0.1175394 0.7739938), wk = 0.0022272 k( 438) = ( 0.1481482 0.1253754 0.7739938), wk = 0.0022272 k( 439) = ( 0.1574074 0.1332113 0.7739938), wk = 0.0022272 k( 440) = ( 0.1666667 0.1410473 0.7739938), wk = 0.0022272 k( 441) = ( 0.1759259 0.1488833 0.7739938), wk = 0.0022272 k( 442) = ( 0.1851852 0.1567192 0.7739938), wk = 0.0022272 k( 443) = ( 0.1944444 0.1645552 0.7739938), wk = 0.0022272 k( 444) = ( 0.2037037 0.1723911 0.7739938), wk = 0.0022272 k( 445) = ( 0.2129630 0.1802271 0.7739938), wk = 0.0022272 k( 446) = ( 0.2222222 0.1880631 0.7739938), wk = 0.0022272 k( 447) = ( 0.2314815 0.1958990 0.7739938), wk = 0.0022272 k( 448) = ( 0.2407407 0.2037350 0.7739938), wk = 0.0022272 k( 449) = ( 0.2500000 0.2115709 0.7739938), wk = 0.0022272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0022272 k( 3) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0022272 k( 4) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022272 k( 5) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0022272 k( 6) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0022272 k( 7) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022272 k( 8) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0022272 k( 9) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0022272 k( 10) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022272 k( 11) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0022272 k( 12) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0022272 k( 13) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022272 k( 14) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0022272 k( 15) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0022272 k( 16) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022272 k( 17) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0022272 k( 18) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0022272 k( 19) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022272 k( 20) = ( 0.0000000 0.0000000 0.1507937), wk = 0.0022272 k( 21) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0022272 k( 22) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022272 k( 23) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0022272 k( 24) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0022272 k( 25) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022272 k( 26) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0022272 k( 27) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0022272 k( 28) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022272 k( 29) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0022272 k( 30) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0022272 k( 31) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022272 k( 32) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0022272 k( 33) = ( 0.0000000 0.0000000 0.2539683), wk = 0.0022272 k( 34) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022272 k( 35) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0022272 k( 36) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0022272 k( 37) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022272 k( 38) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0022272 k( 39) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0022272 k( 40) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022272 k( 41) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0022272 k( 42) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0022272 k( 43) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022272 k( 44) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0022272 k( 45) = ( 0.0000000 0.0000000 0.3492064), wk = 0.0022272 k( 46) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022272 k( 47) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0022272 k( 48) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0022272 k( 49) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022272 k( 50) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0022272 k( 51) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0022272 k( 52) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022272 k( 53) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0022272 k( 54) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0022272 k( 55) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022272 k( 56) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0022272 k( 57) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0022272 k( 58) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0022272 k( 59) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0022272 k( 60) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0022272 k( 61) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022272 k( 62) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0022272 k( 63) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0022272 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 66) = ( -0.0077847 0.0077847 0.5000000), wk = 0.0022272 k( 67) = ( -0.0155695 0.0155695 0.5000000), wk = 0.0022272 k( 68) = ( -0.0233542 0.0233542 0.5000000), wk = 0.0022272 k( 69) = ( -0.0311390 0.0311390 0.5000000), wk = 0.0022272 k( 70) = ( -0.0389237 0.0389237 0.5000000), wk = 0.0022272 k( 71) = ( -0.0467084 0.0467084 0.5000000), wk = 0.0022272 k( 72) = ( -0.0544932 0.0544932 0.5000000), wk = 0.0022272 k( 73) = ( -0.0622779 0.0622779 0.5000000), wk = 0.0022272 k( 74) = ( -0.0700627 0.0700627 0.5000000), wk = 0.0022272 k( 75) = ( -0.0778474 0.0778474 0.5000000), wk = 0.0022272 k( 76) = ( -0.0856322 0.0856322 0.5000000), wk = 0.0022272 k( 77) = ( -0.0934169 0.0934169 0.5000000), wk = 0.0022272 k( 78) = ( -0.1012016 0.1012016 0.5000000), wk = 0.0022272 k( 79) = ( -0.1089864 0.1089864 0.5000000), wk = 0.0022272 k( 80) = ( -0.1167711 0.1167711 0.5000000), wk = 0.0022272 k( 81) = ( -0.1245559 0.1245559 0.5000000), wk = 0.0022272 k( 82) = ( -0.1323406 0.1323406 0.5000000), wk = 0.0022272 k( 83) = ( -0.1401254 0.1401254 0.5000000), wk = 0.0022272 k( 84) = ( -0.1479101 0.1479101 0.5000000), wk = 0.0022272 k( 85) = ( -0.1556948 0.1556948 0.5000000), wk = 0.0022272 k( 86) = ( -0.1634796 0.1634796 0.5000000), wk = 0.0022272 k( 87) = ( -0.1712643 0.1712643 0.5000000), wk = 0.0022272 k( 88) = ( -0.1790491 0.1790491 0.5000000), wk = 0.0022272 k( 89) = ( -0.1790491 0.1790491 0.5000000), wk = 0.0022272 k( 90) = ( -0.1845827 0.1845827 0.4944664), wk = 0.0022272 k( 91) = ( -0.1901163 0.1901163 0.4889327), wk = 0.0022272 k( 92) = ( -0.1956500 0.1956500 0.4833991), wk = 0.0022272 k( 93) = ( -0.2011836 0.2011836 0.4778655), wk = 0.0022272 k( 94) = ( -0.2067172 0.2067172 0.4723318), wk = 0.0022272 k( 95) = ( -0.2122509 0.2122509 0.4667982), wk = 0.0022272 k( 96) = ( -0.2177845 0.2177845 0.4612645), wk = 0.0022272 k( 97) = ( -0.2233182 0.2233182 0.4557309), wk = 0.0022272 k( 98) = ( -0.2288518 0.2288518 0.4501973), wk = 0.0022272 k( 99) = ( -0.2343854 0.2343854 0.4446636), wk = 0.0022272 k( 100) = ( -0.2399191 0.2399191 0.4391300), wk = 0.0022272 k( 101) = ( -0.2454527 0.2454527 0.4335964), wk = 0.0022272 k( 102) = ( -0.2509863 0.2509863 0.4280627), wk = 0.0022272 k( 103) = ( -0.2565200 0.2565200 0.4225291), wk = 0.0022272 k( 104) = ( -0.2620536 0.2620536 0.4169955), wk = 0.0022272 k( 105) = ( -0.2675872 0.2675873 0.4114618), wk = 0.0022272 k( 106) = ( -0.2731209 0.2731209 0.4059282), wk = 0.0022272 k( 107) = ( -0.2786545 0.2786545 0.4003945), wk = 0.0022272 k( 108) = ( -0.2841882 0.2841882 0.3948609), wk = 0.0022272 k( 109) = ( -0.2897218 0.2897218 0.3893273), wk = 0.0022272 k( 110) = ( -0.2952554 0.2952554 0.3837936), wk = 0.0022272 k( 111) = ( -0.3007891 0.3007891 0.3782600), wk = 0.0022272 k( 112) = ( -0.3063227 0.3063227 0.3727264), wk = 0.0022272 k( 113) = ( -0.3118564 0.3118564 0.3671927), wk = 0.0022272 k( 114) = ( -0.3173900 0.3173900 0.3616591), wk = 0.0022272 k( 115) = ( -0.3229236 0.3229236 0.3561254), wk = 0.0022272 k( 116) = ( -0.3284573 0.3284573 0.3505918), wk = 0.0022272 k( 117) = ( -0.3339909 0.3339909 0.3450582), wk = 0.0022272 k( 118) = ( -0.3395245 0.3395245 0.3395245), wk = 0.0022272 k( 119) = ( -0.3395245 0.3395245 0.3395245), wk = 0.0022272 k( 120) = ( -0.3339586 0.3339586 0.3339586), wk = 0.0022272 k( 121) = ( -0.3283926 0.3283926 0.3283926), wk = 0.0022272 k( 122) = ( -0.3228266 0.3228266 0.3228266), wk = 0.0022272 k( 123) = ( -0.3172606 0.3172606 0.3172606), wk = 0.0022272 k( 124) = ( -0.3116947 0.3116947 0.3116947), wk = 0.0022272 k( 125) = ( -0.3061287 0.3061287 0.3061287), wk = 0.0022272 k( 126) = ( -0.3005627 0.3005627 0.3005627), wk = 0.0022272 k( 127) = ( -0.2949967 0.2949967 0.2949967), wk = 0.0022272 k( 128) = ( -0.2894308 0.2894308 0.2894308), wk = 0.0022272 k( 129) = ( -0.2838648 0.2838648 0.2838648), wk = 0.0022272 k( 130) = ( -0.2782988 0.2782988 0.2782988), wk = 0.0022272 k( 131) = ( -0.2727328 0.2727328 0.2727328), wk = 0.0022272 k( 132) = ( -0.2671668 0.2671668 0.2671668), wk = 0.0022272 k( 133) = ( -0.2616009 0.2616009 0.2616009), wk = 0.0022272 k( 134) = ( -0.2560349 0.2560349 0.2560349), wk = 0.0022272 k( 135) = ( -0.2504689 0.2504689 0.2504689), wk = 0.0022272 k( 136) = ( -0.2449029 0.2449029 0.2449029), wk = 0.0022272 k( 137) = ( -0.2393370 0.2393370 0.2393370), wk = 0.0022272 k( 138) = ( -0.2337710 0.2337710 0.2337710), wk = 0.0022272 k( 139) = ( -0.2282050 0.2282050 0.2282050), wk = 0.0022272 k( 140) = ( -0.2226390 0.2226390 0.2226390), wk = 0.0022272 k( 141) = ( -0.2170731 0.2170731 0.2170731), wk = 0.0022272 k( 142) = ( -0.2115071 0.2115071 0.2115071), wk = 0.0022272 k( 143) = ( -0.2059411 0.2059411 0.2059411), wk = 0.0022272 k( 144) = ( -0.2003751 0.2003751 0.2003751), wk = 0.0022272 k( 145) = ( -0.1948092 0.1948092 0.1948092), wk = 0.0022272 k( 146) = ( -0.1892432 0.1892432 0.1892432), wk = 0.0022272 k( 147) = ( -0.1836772 0.1836772 0.1836772), wk = 0.0022272 k( 148) = ( -0.1781112 0.1781112 0.1781112), wk = 0.0022272 k( 149) = ( -0.1725453 0.1725453 0.1725453), wk = 0.0022272 k( 150) = ( -0.1669793 0.1669793 0.1669793), wk = 0.0022272 k( 151) = ( -0.1614133 0.1614133 0.1614133), wk = 0.0022272 k( 152) = ( -0.1558473 0.1558473 0.1558473), wk = 0.0022272 k( 153) = ( -0.1502814 0.1502814 0.1502814), wk = 0.0022272 k( 154) = ( -0.1447154 0.1447154 0.1447154), wk = 0.0022272 k( 155) = ( -0.1391494 0.1391494 0.1391494), wk = 0.0022272 k( 156) = ( -0.1335834 0.1335834 0.1335834), wk = 0.0022272 k( 157) = ( -0.1280175 0.1280175 0.1280175), wk = 0.0022272 k( 158) = ( -0.1224515 0.1224515 0.1224515), wk = 0.0022272 k( 159) = ( -0.1168855 0.1168855 0.1168855), wk = 0.0022272 k( 160) = ( -0.1113195 0.1113195 0.1113195), wk = 0.0022272 k( 161) = ( -0.1057535 0.1057535 0.1057535), wk = 0.0022272 k( 162) = ( -0.1001876 0.1001876 0.1001876), wk = 0.0022272 k( 163) = ( -0.0946216 0.0946216 0.0946216), wk = 0.0022272 k( 164) = ( -0.0890556 0.0890556 0.0890556), wk = 0.0022272 k( 165) = ( -0.0834896 0.0834896 0.0834896), wk = 0.0022272 k( 166) = ( -0.0779237 0.0779237 0.0779237), wk = 0.0022272 k( 167) = ( -0.0723577 0.0723577 0.0723577), wk = 0.0022272 k( 168) = ( -0.0667917 0.0667917 0.0667917), wk = 0.0022272 k( 169) = ( -0.0612257 0.0612257 0.0612257), wk = 0.0022272 k( 170) = ( -0.0556598 0.0556598 0.0556598), wk = 0.0022272 k( 171) = ( -0.0500938 0.0500938 0.0500938), wk = 0.0022272 k( 172) = ( -0.0445278 0.0445278 0.0445278), wk = 0.0022272 k( 173) = ( -0.0389618 0.0389618 0.0389618), wk = 0.0022272 k( 174) = ( -0.0333959 0.0333959 0.0333959), wk = 0.0022272 k( 175) = ( -0.0278299 0.0278299 0.0278299), wk = 0.0022272 k( 176) = ( -0.0222639 0.0222639 0.0222639), wk = 0.0022272 k( 177) = ( -0.0166979 0.0166979 0.0166979), wk = 0.0022272 k( 178) = ( -0.0111319 0.0111319 0.0111320), wk = 0.0022272 k( 179) = ( -0.0055660 0.0055660 0.0055660), wk = 0.0022272 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 182) = ( 0.0092593 0.0092593 -0.0092593), wk = 0.0022272 k( 183) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0022272 k( 184) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0022272 k( 185) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0022272 k( 186) = ( 0.0462963 0.0462963 -0.0462963), wk = 0.0022272 k( 187) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0022272 k( 188) = ( 0.0648148 0.0648148 -0.0648148), wk = 0.0022272 k( 189) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0022272 k( 190) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0022272 k( 191) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0022272 k( 192) = ( 0.1018518 0.1018518 -0.1018518), wk = 0.0022272 k( 193) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0022272 k( 194) = ( 0.1203704 0.1203704 -0.1203704), wk = 0.0022272 k( 195) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0022272 k( 196) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0022272 k( 197) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0022272 k( 198) = ( 0.1574074 0.1574074 -0.1574074), wk = 0.0022272 k( 199) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0022272 k( 200) = ( 0.1759259 0.1759259 -0.1759259), wk = 0.0022272 k( 201) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0022272 k( 202) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0022272 k( 203) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0022272 k( 204) = ( 0.2129630 0.2129630 -0.2129630), wk = 0.0022272 k( 205) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0022272 k( 206) = ( 0.2314815 0.2314815 -0.2314815), wk = 0.0022272 k( 207) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0022272 k( 208) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022272 k( 209) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0022272 k( 210) = ( 0.2685185 0.2685185 -0.2685185), wk = 0.0022272 k( 211) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0022272 k( 212) = ( 0.2870370 0.2870370 -0.2870370), wk = 0.0022272 k( 213) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0022272 k( 214) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0022272 k( 215) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0022272 k( 216) = ( 0.3240741 0.3240741 -0.3240741), wk = 0.0022272 k( 217) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0022272 k( 218) = ( 0.3425926 0.3425926 -0.3425926), wk = 0.0022272 k( 219) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0022272 k( 220) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0022272 k( 221) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0022272 k( 222) = ( 0.3796296 0.3796296 -0.3796296), wk = 0.0022272 k( 223) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0022272 k( 224) = ( 0.3981481 0.3981482 -0.3981481), wk = 0.0022272 k( 225) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0022272 k( 226) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0022272 k( 227) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0022272 k( 228) = ( 0.4351852 0.4351852 -0.4351852), wk = 0.0022272 k( 229) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0022272 k( 230) = ( 0.4537037 0.4537037 -0.4537037), wk = 0.0022272 k( 231) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0022272 k( 232) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0022272 k( 233) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0022272 k( 234) = ( 0.4907407 0.4907407 -0.4907407), wk = 0.0022272 k( 235) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 k( 236) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 k( 237) = ( 0.4944664 0.5055336 -0.4944664), wk = 0.0022272 k( 238) = ( 0.4889327 0.5110673 -0.4889327), wk = 0.0022272 k( 239) = ( 0.4833991 0.5166009 -0.4833991), wk = 0.0022272 k( 240) = ( 0.4778655 0.5221345 -0.4778655), wk = 0.0022272 k( 241) = ( 0.4723318 0.5276682 -0.4723318), wk = 0.0022272 k( 242) = ( 0.4667982 0.5332018 -0.4667982), wk = 0.0022272 k( 243) = ( 0.4612645 0.5387355 -0.4612645), wk = 0.0022272 k( 244) = ( 0.4557309 0.5442691 -0.4557309), wk = 0.0022272 k( 245) = ( 0.4501973 0.5498027 -0.4501973), wk = 0.0022272 k( 246) = ( 0.4446636 0.5553364 -0.4446636), wk = 0.0022272 k( 247) = ( 0.4391300 0.5608700 -0.4391300), wk = 0.0022272 k( 248) = ( 0.4335964 0.5664036 -0.4335964), wk = 0.0022272 k( 249) = ( 0.4280627 0.5719373 -0.4280627), wk = 0.0022272 k( 250) = ( 0.4225291 0.5774709 -0.4225291), wk = 0.0022272 k( 251) = ( 0.4169954 0.5830046 -0.4169955), wk = 0.0022272 k( 252) = ( 0.4114618 0.5885382 -0.4114618), wk = 0.0022272 k( 253) = ( 0.4059282 0.5940718 -0.4059282), wk = 0.0022272 k( 254) = ( 0.4003945 0.5996055 -0.4003945), wk = 0.0022272 k( 255) = ( 0.3948609 0.6051391 -0.3948609), wk = 0.0022272 k( 256) = ( 0.3893273 0.6106727 -0.3893273), wk = 0.0022272 k( 257) = ( 0.3837936 0.6162064 -0.3837936), wk = 0.0022272 k( 258) = ( 0.3782600 0.6217400 -0.3782600), wk = 0.0022272 k( 259) = ( 0.3727263 0.6272737 -0.3727263), wk = 0.0022272 k( 260) = ( 0.3671927 0.6328073 -0.3671927), wk = 0.0022272 k( 261) = ( 0.3616591 0.6383409 -0.3616591), wk = 0.0022272 k( 262) = ( 0.3561254 0.6438746 -0.3561254), wk = 0.0022272 k( 263) = ( 0.3505918 0.6494082 -0.3505918), wk = 0.0022272 k( 264) = ( 0.3450582 0.6549418 -0.3450582), wk = 0.0022272 k( 265) = ( 0.3395245 0.6604755 -0.3395245), wk = 0.0022272 k( 266) = ( 0.3395245 0.6604755 -0.3395245), wk = 0.0022272 k( 267) = ( 0.3285721 0.6552988 -0.3285721), wk = 0.0022272 k( 268) = ( 0.3176197 0.6501222 -0.3176197), wk = 0.0022272 k( 269) = ( 0.3066673 0.6449456 -0.3066673), wk = 0.0022272 k( 270) = ( 0.2957149 0.6397690 -0.2957149), wk = 0.0022272 k( 271) = ( 0.2847625 0.6345923 -0.2847625), wk = 0.0022272 k( 272) = ( 0.2738101 0.6294157 -0.2738101), wk = 0.0022272 k( 273) = ( 0.2628577 0.6242391 -0.2628577), wk = 0.0022272 k( 274) = ( 0.2519053 0.6190625 -0.2519053), wk = 0.0022272 k( 275) = ( 0.2409529 0.6138858 -0.2409529), wk = 0.0022272 k( 276) = ( 0.2300005 0.6087092 -0.2300005), wk = 0.0022272 k( 277) = ( 0.2190481 0.6035326 -0.2190481), wk = 0.0022272 k( 278) = ( 0.2080957 0.5983559 -0.2080957), wk = 0.0022272 k( 279) = ( 0.1971433 0.5931793 -0.1971433), wk = 0.0022272 k( 280) = ( 0.1861909 0.5880027 -0.1861909), wk = 0.0022272 k( 281) = ( 0.1752385 0.5828260 -0.1752385), wk = 0.0022272 k( 282) = ( 0.1642861 0.5776494 -0.1642861), wk = 0.0022272 k( 283) = ( 0.1533337 0.5724728 -0.1533337), wk = 0.0022272 k( 284) = ( 0.1423812 0.5672962 -0.1423812), wk = 0.0022272 k( 285) = ( 0.1314289 0.5621195 -0.1314289), wk = 0.0022272 k( 286) = ( 0.1204764 0.5569429 -0.1204765), wk = 0.0022272 k( 287) = ( 0.1095240 0.5517663 -0.1095240), wk = 0.0022272 k( 288) = ( 0.0985716 0.5465897 -0.0985716), wk = 0.0022272 k( 289) = ( 0.0876192 0.5414130 -0.0876192), wk = 0.0022272 k( 290) = ( 0.0766668 0.5362364 -0.0766668), wk = 0.0022272 k( 291) = ( 0.0657144 0.5310598 -0.0657144), wk = 0.0022272 k( 292) = ( 0.0547620 0.5258831 -0.0547620), wk = 0.0022272 k( 293) = ( 0.0438096 0.5207065 -0.0438096), wk = 0.0022272 k( 294) = ( 0.0328572 0.5155299 -0.0328572), wk = 0.0022272 k( 295) = ( 0.0219048 0.5103533 -0.0219048), wk = 0.0022272 k( 296) = ( 0.0109524 0.5051766 -0.0109524), wk = 0.0022272 k( 297) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022272 k( 298) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022272 k( 299) = ( 0.0055556 0.4944444 0.0055556), wk = 0.0022272 k( 300) = ( 0.0111111 0.4888889 0.0111111), wk = 0.0022272 k( 301) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0022272 k( 302) = ( 0.0222222 0.4777778 0.0222222), wk = 0.0022272 k( 303) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0022272 k( 304) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0022272 k( 305) = ( 0.0388889 0.4611111 0.0388889), wk = 0.0022272 k( 306) = ( 0.0444444 0.4555556 0.0444444), wk = 0.0022272 k( 307) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022272 k( 308) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0022272 k( 309) = ( 0.0611111 0.4388889 0.0611111), wk = 0.0022272 k( 310) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0022272 k( 311) = ( 0.0722222 0.4277778 0.0722222), wk = 0.0022272 k( 312) = ( 0.0777778 0.4222222 0.0777778), wk = 0.0022272 k( 313) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022272 k( 314) = ( 0.0888889 0.4111111 0.0888889), wk = 0.0022272 k( 315) = ( 0.0944444 0.4055556 0.0944444), wk = 0.0022272 k( 316) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022272 k( 317) = ( 0.1055556 0.3944444 0.1055556), wk = 0.0022272 k( 318) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0022272 k( 319) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0022272 k( 320) = ( 0.1222222 0.3777778 0.1222222), wk = 0.0022272 k( 321) = ( 0.1277778 0.3722222 0.1277778), wk = 0.0022272 k( 322) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0022272 k( 323) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0022272 k( 324) = ( 0.1444444 0.3555556 0.1444444), wk = 0.0022272 k( 325) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022272 k( 326) = ( 0.1555556 0.3444444 0.1555556), wk = 0.0022272 k( 327) = ( 0.1611111 0.3388889 0.1611111), wk = 0.0022272 k( 328) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022272 k( 329) = ( 0.1722222 0.3277778 0.1722222), wk = 0.0022272 k( 330) = ( 0.1777778 0.3222222 0.1777778), wk = 0.0022272 k( 331) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0022272 k( 332) = ( 0.1888889 0.3111111 0.1888889), wk = 0.0022272 k( 333) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0022272 k( 334) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022272 k( 335) = ( 0.2055556 0.2944444 0.2055556), wk = 0.0022272 k( 336) = ( 0.2111111 0.2888889 0.2111111), wk = 0.0022272 k( 337) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0022272 k( 338) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0022272 k( 339) = ( 0.2277778 0.2722222 0.2277778), wk = 0.0022272 k( 340) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0022272 k( 341) = ( 0.2388889 0.2611111 0.2388889), wk = 0.0022272 k( 342) = ( 0.2444444 0.2555556 0.2444444), wk = 0.0022272 k( 343) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 344) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 k( 345) = ( 0.2571429 0.2571429 0.2377415), wk = 0.0022272 k( 346) = ( 0.2642857 0.2642857 0.2254829), wk = 0.0022272 k( 347) = ( 0.2714286 0.2714286 0.2132244), wk = 0.0022272 k( 348) = ( 0.2785714 0.2785714 0.2009658), wk = 0.0022272 k( 349) = ( 0.2857143 0.2857143 0.1887073), wk = 0.0022272 k( 350) = ( 0.2928571 0.2928571 0.1764487), wk = 0.0022272 k( 351) = ( 0.3000000 0.3000000 0.1641902), wk = 0.0022272 k( 352) = ( 0.3071429 0.3071429 0.1519316), wk = 0.0022272 k( 353) = ( 0.3142857 0.3142857 0.1396731), wk = 0.0022272 k( 354) = ( 0.3214286 0.3214286 0.1274145), wk = 0.0022272 k( 355) = ( 0.3285714 0.3285714 0.1151560), wk = 0.0022272 k( 356) = ( 0.3357143 0.3357143 0.1028975), wk = 0.0022272 k( 357) = ( 0.3428571 0.3428571 0.0906389), wk = 0.0022272 k( 358) = ( 0.3500000 0.3500000 0.0783804), wk = 0.0022272 k( 359) = ( 0.3571429 0.3571429 0.0661218), wk = 0.0022272 k( 360) = ( 0.3642857 0.3642857 0.0538633), wk = 0.0022272 k( 361) = ( 0.3714286 0.3714286 0.0416047), wk = 0.0022272 k( 362) = ( 0.3785714 0.3785714 0.0293462), wk = 0.0022272 k( 363) = ( 0.3857143 0.3857143 0.0170876), wk = 0.0022272 k( 364) = ( 0.3928571 0.3928571 0.0048291), wk = 0.0022272 k( 365) = ( 0.4000000 0.4000000 -0.0074294), wk = 0.0022272 k( 366) = ( 0.4071429 0.4071429 -0.0196880), wk = 0.0022272 k( 367) = ( 0.4142857 0.4142857 -0.0319465), wk = 0.0022272 k( 368) = ( 0.4214286 0.4214286 -0.0442051), wk = 0.0022272 k( 369) = ( 0.4285714 0.4285714 -0.0564636), wk = 0.0022272 k( 370) = ( 0.4357143 0.4357143 -0.0687222), wk = 0.0022272 k( 371) = ( 0.4428571 0.4428571 -0.0809807), wk = 0.0022272 k( 372) = ( 0.4500000 0.4500000 -0.0932393), wk = 0.0022272 k( 373) = ( 0.4571429 0.4571429 -0.1054978), wk = 0.0022272 k( 374) = ( 0.4642857 0.4642857 -0.1177563), wk = 0.0022272 k( 375) = ( 0.4714286 0.4714286 -0.1300149), wk = 0.0022272 k( 376) = ( 0.4785714 0.4785714 -0.1422734), wk = 0.0022272 k( 377) = ( 0.4857143 0.4857143 -0.1545320), wk = 0.0022272 k( 378) = ( 0.4928571 0.4928571 -0.1667905), wk = 0.0022272 k( 379) = ( 0.5000000 0.5000000 -0.1790491), wk = 0.0022272 k( 380) = ( 0.5000000 0.5000000 -0.1790491), wk = 0.0022272 k( 381) = ( 0.5000000 0.5000000 -0.1868771), wk = 0.0022272 k( 382) = ( 0.5000000 0.5000000 -0.1947052), wk = 0.0022272 k( 383) = ( 0.5000000 0.5000000 -0.2025333), wk = 0.0022272 k( 384) = ( 0.5000000 0.5000000 -0.2103614), wk = 0.0022272 k( 385) = ( 0.5000000 0.5000000 -0.2181894), wk = 0.0022272 k( 386) = ( 0.5000000 0.5000000 -0.2260175), wk = 0.0022272 k( 387) = ( 0.5000000 0.5000000 -0.2338456), wk = 0.0022272 k( 388) = ( 0.5000000 0.5000000 -0.2416736), wk = 0.0022272 k( 389) = ( 0.5000000 0.5000000 -0.2495017), wk = 0.0022272 k( 390) = ( 0.5000000 0.5000000 -0.2573298), wk = 0.0022272 k( 391) = ( 0.5000000 0.5000000 -0.2651579), wk = 0.0022272 k( 392) = ( 0.5000000 0.5000000 -0.2729859), wk = 0.0022272 k( 393) = ( 0.5000000 0.5000000 -0.2808140), wk = 0.0022272 k( 394) = ( 0.5000000 0.5000000 -0.2886421), wk = 0.0022272 k( 395) = ( 0.5000000 0.5000000 -0.2964701), wk = 0.0022272 k( 396) = ( 0.5000000 0.5000000 -0.3042982), wk = 0.0022272 k( 397) = ( 0.5000000 0.5000000 -0.3121263), wk = 0.0022272 k( 398) = ( 0.5000000 0.5000000 -0.3199544), wk = 0.0022272 k( 399) = ( 0.5000000 0.5000000 -0.3277824), wk = 0.0022272 k( 400) = ( 0.5000000 0.5000000 -0.3356105), wk = 0.0022272 k( 401) = ( 0.5000000 0.5000000 -0.3434386), wk = 0.0022272 k( 402) = ( 0.5000000 0.5000000 -0.3512666), wk = 0.0022272 k( 403) = ( 0.5000000 0.5000000 -0.3590947), wk = 0.0022272 k( 404) = ( 0.5000000 0.5000000 -0.3669228), wk = 0.0022272 k( 405) = ( 0.5000000 0.5000000 -0.3747509), wk = 0.0022272 k( 406) = ( 0.5000000 0.5000000 -0.3825789), wk = 0.0022272 k( 407) = ( 0.5000000 0.5000000 -0.3904070), wk = 0.0022272 k( 408) = ( 0.5000000 0.5000000 -0.3982351), wk = 0.0022272 k( 409) = ( 0.5000000 0.5000000 -0.4060631), wk = 0.0022272 k( 410) = ( 0.5000000 0.5000000 -0.4138912), wk = 0.0022272 k( 411) = ( 0.5000000 0.5000000 -0.4217193), wk = 0.0022272 k( 412) = ( 0.5000000 0.5000000 -0.4295474), wk = 0.0022272 k( 413) = ( 0.5000000 0.5000000 -0.4373754), wk = 0.0022272 k( 414) = ( 0.5000000 0.5000000 -0.4452035), wk = 0.0022272 k( 415) = ( 0.5000000 0.5000000 -0.4530316), wk = 0.0022272 k( 416) = ( 0.5000000 0.5000000 -0.4608596), wk = 0.0022272 k( 417) = ( 0.5000000 0.5000000 -0.4686877), wk = 0.0022272 k( 418) = ( 0.5000000 0.5000000 -0.4765158), wk = 0.0022272 k( 419) = ( 0.5000000 0.5000000 -0.4843439), wk = 0.0022272 k( 420) = ( 0.5000000 0.5000000 -0.4921719), wk = 0.0022272 k( 421) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022272 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 423) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0022272 k( 424) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0022272 k( 425) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0022272 k( 426) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0022272 k( 427) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0022272 k( 428) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0022272 k( 429) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0022272 k( 430) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0022272 k( 431) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0022272 k( 432) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0022272 k( 433) = ( 0.1018518 0.1018518 0.3981482), wk = 0.0022272 k( 434) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0022272 k( 435) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0022272 k( 436) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0022272 k( 437) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0022272 k( 438) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0022272 k( 439) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0022272 k( 440) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022272 k( 441) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0022272 k( 442) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0022272 k( 443) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0022272 k( 444) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0022272 k( 445) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0022272 k( 446) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0022272 k( 447) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0022272 k( 448) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0022272 k( 449) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022272 Dense grid: 24585 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 10813 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 88, 30) NL pseudopotentials 0.04 Mb ( 44, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 684) G-vector shells 0.00 Mb ( 315) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 88, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 62, 2, 30) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CaO2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.7 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.1 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.8 secs Computing kpt #: 20 total cpu time spent up to now is 8.0 secs Computing kpt #: 21 total cpu time spent up to now is 8.3 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.3 secs Computing kpt #: 26 total cpu time spent up to now is 9.6 secs Computing kpt #: 27 total cpu time spent up to now is 9.8 secs Computing kpt #: 28 total cpu time spent up to now is 10.0 secs Computing kpt #: 29 total cpu time spent up to now is 10.2 secs Computing kpt #: 30 total cpu time spent up to now is 10.4 secs Computing kpt #: 31 total cpu time spent up to now is 10.6 secs Computing kpt #: 32 total cpu time spent up to now is 10.8 secs Computing kpt #: 33 total cpu time spent up to now is 11.0 secs Computing kpt #: 34 total cpu time spent up to now is 11.2 secs Computing kpt #: 35 total cpu time spent up to now is 11.4 secs Computing kpt #: 36 total cpu time spent up to now is 11.6 secs Computing kpt #: 37 total cpu time spent up to now is 11.8 secs Computing kpt #: 38 total cpu time spent up to now is 12.0 secs Computing kpt #: 39 total cpu time spent up to now is 12.2 secs Computing kpt #: 40 total cpu time spent up to now is 12.4 secs Computing kpt #: 41 total cpu time spent up to now is 12.6 secs Computing kpt #: 42 total cpu time spent up to now is 12.8 secs Computing kpt #: 43 total cpu time spent up to now is 13.0 secs Computing kpt #: 44 total cpu time spent up to now is 13.2 secs Computing kpt #: 45 total cpu time spent up to now is 13.4 secs Computing kpt #: 46 total cpu time spent up to now is 13.6 secs Computing kpt #: 47 total cpu time spent up to now is 13.7 secs Computing kpt #: 48 total cpu time spent up to now is 13.9 secs Computing kpt #: 49 total cpu time spent up to now is 14.2 secs Computing kpt #: 50 total cpu time spent up to now is 14.4 secs Computing kpt #: 51 total cpu time spent up to now is 14.6 secs Computing kpt #: 52 total cpu time spent up to now is 14.8 secs Computing kpt #: 53 total cpu time spent up to now is 15.0 secs Computing kpt #: 54 total cpu time spent up to now is 15.3 secs Computing kpt #: 55 total cpu time spent up to now is 15.5 secs Computing kpt #: 56 total cpu time spent up to now is 15.8 secs Computing kpt #: 57 total cpu time spent up to now is 16.1 secs Computing kpt #: 58 total cpu time spent up to now is 16.4 secs Computing kpt #: 59 total cpu time spent up to now is 16.7 secs Computing kpt #: 60 total cpu time spent up to now is 17.1 secs Computing kpt #: 61 total cpu time spent up to now is 17.4 secs Computing kpt #: 62 total cpu time spent up to now is 17.7 secs Computing kpt #: 63 total cpu time spent up to now is 18.1 secs Computing kpt #: 64 total cpu time spent up to now is 18.3 secs Computing kpt #: 65 total cpu time spent up to now is 18.6 secs Computing kpt #: 66 total cpu time spent up to now is 18.9 secs Computing kpt #: 67 total cpu time spent up to now is 19.2 secs Computing kpt #: 68 total cpu time spent up to now is 19.4 secs Computing kpt #: 69 total cpu time spent up to now is 19.7 secs Computing kpt #: 70 total cpu time spent up to now is 19.9 secs Computing kpt #: 71 total cpu time spent up to now is 20.2 secs Computing kpt #: 72 total cpu time spent up to now is 20.4 secs Computing kpt #: 73 total cpu time spent up to now is 20.7 secs Computing kpt #: 74 total cpu time spent up to now is 20.9 secs Computing kpt #: 75 total cpu time spent up to now is 21.1 secs Computing kpt #: 76 total cpu time spent up to now is 21.4 secs Computing kpt #: 77 total cpu time spent up to now is 21.6 secs Computing kpt #: 78 total cpu time spent up to now is 21.8 secs Computing kpt #: 79 total cpu time spent up to now is 22.1 secs Computing kpt #: 80 total cpu time spent up to now is 22.3 secs Computing kpt #: 81 total cpu time spent up to now is 22.6 secs Computing kpt #: 82 total cpu time spent up to now is 22.8 secs Computing kpt #: 83 total cpu time spent up to now is 23.0 secs Computing kpt #: 84 total cpu time spent up to now is 23.2 secs Computing kpt #: 85 total cpu time spent up to now is 23.5 secs Computing kpt #: 86 total cpu time spent up to now is 23.7 secs Computing kpt #: 87 total cpu time spent up to now is 23.9 secs Computing kpt #: 88 total cpu time spent up to now is 24.2 secs Computing kpt #: 89 total cpu time spent up to now is 24.4 secs Computing kpt #: 90 total cpu time spent up to now is 24.7 secs Computing kpt #: 91 total cpu time spent up to now is 24.9 secs Computing kpt #: 92 total cpu time spent up to now is 25.1 secs Computing kpt #: 93 total cpu time spent up to now is 25.3 secs Computing kpt #: 94 total cpu time spent up to now is 25.5 secs Computing kpt #: 95 total cpu time spent up to now is 25.7 secs Computing kpt #: 96 total cpu time spent up to now is 25.9 secs Computing kpt #: 97 total cpu time spent up to now is 26.1 secs Computing kpt #: 98 total cpu time spent up to now is 26.3 secs Computing kpt #: 99 total cpu time spent up to now is 26.5 secs Computing kpt #: 100 total cpu time spent up to now is 26.7 secs Computing kpt #: 101 total cpu time spent up to now is 26.9 secs Computing kpt #: 102 total cpu time spent up to now is 27.1 secs Computing kpt #: 103 total cpu time spent up to now is 27.3 secs Computing kpt #: 104 total cpu time spent up to now is 27.5 secs Computing kpt #: 105 total cpu time spent up to now is 27.7 secs Computing kpt #: 106 total cpu time spent up to now is 27.9 secs Computing kpt #: 107 total cpu time spent up to now is 28.1 secs Computing kpt #: 108 total cpu time spent up to now is 28.3 secs Computing kpt #: 109 total cpu time spent up to now is 28.5 secs Computing kpt #: 110 total cpu time spent up to now is 28.6 secs Computing kpt #: 111 total cpu time spent up to now is 28.8 secs Computing kpt #: 112 total cpu time spent up to now is 29.0 secs Computing kpt #: 113 total cpu time spent up to now is 29.2 secs Computing kpt #: 114 total cpu time spent up to now is 29.4 secs Computing kpt #: 115 total cpu time spent up to now is 29.6 secs Computing kpt #: 116 total cpu time spent up to now is 29.9 secs Computing kpt #: 117 total cpu time spent up to now is 30.1 secs Computing kpt #: 118 total cpu time spent up to now is 30.3 secs Computing kpt #: 119 total cpu time spent up to now is 30.5 secs Computing kpt #: 120 total cpu time spent up to now is 30.6 secs Computing kpt #: 121 total cpu time spent up to now is 30.9 secs Computing kpt #: 122 total cpu time spent up to now is 31.1 secs Computing kpt #: 123 total cpu time spent up to now is 31.3 secs Computing kpt #: 124 total cpu time spent up to now is 31.5 secs Computing kpt #: 125 total cpu time spent up to now is 31.7 secs Computing kpt #: 126 total cpu time spent up to now is 31.9 secs Computing kpt #: 127 total cpu time spent up to now is 32.1 secs Computing kpt #: 128 total cpu time spent up to now is 32.3 secs Computing kpt #: 129 total cpu time spent up to now is 32.6 secs Computing kpt #: 130 total cpu time spent up to now is 32.8 secs Computing kpt #: 131 total cpu time spent up to now is 33.0 secs Computing kpt #: 132 total cpu time spent up to now is 33.3 secs Computing kpt #: 133 total cpu time spent up to now is 33.6 secs Computing kpt #: 134 total cpu time spent up to now is 33.8 secs Computing kpt #: 135 total cpu time spent up to now is 34.1 secs Computing kpt #: 136 total cpu time spent up to now is 34.3 secs Computing kpt #: 137 total cpu time spent up to now is 34.6 secs Computing kpt #: 138 total cpu time spent up to now is 34.9 secs Computing kpt #: 139 total cpu time spent up to now is 35.1 secs Computing kpt #: 140 total cpu time spent up to now is 35.4 secs Computing kpt #: 141 total cpu time spent up to now is 35.7 secs Computing kpt #: 142 total cpu time spent up to now is 35.9 secs Computing kpt #: 143 total cpu time spent up to now is 36.1 secs Computing kpt #: 144 total cpu time spent up to now is 36.4 secs Computing kpt #: 145 total cpu time spent up to now is 36.6 secs Computing kpt #: 146 total cpu time spent up to now is 36.8 secs Computing kpt #: 147 total cpu time spent up to now is 37.1 secs Computing kpt #: 148 total cpu time spent up to now is 37.4 secs Computing kpt #: 149 total cpu time spent up to now is 37.6 secs Computing kpt #: 150 total cpu time spent up to now is 37.9 secs Computing kpt #: 151 total cpu time spent up to now is 38.1 secs Computing kpt #: 152 total cpu time spent up to now is 38.4 secs Computing kpt #: 153 total cpu time spent up to now is 38.9 secs Computing kpt #: 154 total cpu time spent up to now is 39.2 secs Computing kpt #: 155 total cpu time spent up to now is 39.4 secs Computing kpt #: 156 total cpu time spent up to now is 39.7 secs Computing kpt #: 157 total cpu time spent up to now is 39.9 secs Computing kpt #: 158 total cpu time spent up to now is 40.2 secs Computing kpt #: 159 total cpu time spent up to now is 40.4 secs Computing kpt #: 160 total cpu time spent up to now is 40.6 secs Computing kpt #: 161 total cpu time spent up to now is 40.8 secs Computing kpt #: 162 total cpu time spent up to now is 41.0 secs Computing kpt #: 163 total cpu time spent up to now is 41.2 secs Computing kpt #: 164 total cpu time spent up to now is 41.4 secs Computing kpt #: 165 total cpu time spent up to now is 41.6 secs Computing kpt #: 166 total cpu time spent up to now is 41.8 secs Computing kpt #: 167 total cpu time spent up to now is 42.0 secs Computing kpt #: 168 total cpu time spent up to now is 42.2 secs Computing kpt #: 169 total cpu time spent up to now is 42.5 secs Computing kpt #: 170 total cpu time spent up to now is 42.7 secs Computing kpt #: 171 total cpu time spent up to now is 42.9 secs Computing kpt #: 172 total cpu time spent up to now is 43.0 secs Computing kpt #: 173 total cpu time spent up to now is 43.3 secs Computing kpt #: 174 total cpu time spent up to now is 43.6 secs Computing kpt #: 175 total cpu time spent up to now is 43.9 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.5 secs Computing kpt #: 177 total cpu time spent up to now is 44.9 secs Computing kpt #: 178 total cpu time spent up to now is 45.3 secs Computing kpt #: 179 total cpu time spent up to now is 45.6 secs Computing kpt #: 180 total cpu time spent up to now is 46.0 secs Computing kpt #: 181 total cpu time spent up to now is 46.3 secs Computing kpt #: 182 total cpu time spent up to now is 46.6 secs Computing kpt #: 183 total cpu time spent up to now is 46.9 secs Computing kpt #: 184 total cpu time spent up to now is 47.2 secs Computing kpt #: 185 total cpu time spent up to now is 47.5 secs Computing kpt #: 186 total cpu time spent up to now is 47.8 secs Computing kpt #: 187 total cpu time spent up to now is 48.1 secs Computing kpt #: 188 total cpu time spent up to now is 48.4 secs Computing kpt #: 189 total cpu time spent up to now is 48.6 secs Computing kpt #: 190 total cpu time spent up to now is 48.8 secs Computing kpt #: 191 total cpu time spent up to now is 49.1 secs Computing kpt #: 192 total cpu time spent up to now is 49.3 secs Computing kpt #: 193 total cpu time spent up to now is 49.5 secs Computing kpt #: 194 total cpu time spent up to now is 49.7 secs Computing kpt #: 195 total cpu time spent up to now is 49.9 secs Computing kpt #: 196 total cpu time spent up to now is 50.2 secs Computing kpt #: 197 total cpu time spent up to now is 50.4 secs Computing kpt #: 198 total cpu time spent up to now is 50.6 secs Computing kpt #: 199 total cpu time spent up to now is 50.8 secs Computing kpt #: 200 total cpu time spent up to now is 51.1 secs Computing kpt #: 201 total cpu time spent up to now is 51.3 secs Computing kpt #: 202 total cpu time spent up to now is 51.6 secs Computing kpt #: 203 total cpu time spent up to now is 51.8 secs Computing kpt #: 204 total cpu time spent up to now is 52.0 secs Computing kpt #: 205 total cpu time spent up to now is 52.3 secs Computing kpt #: 206 total cpu time spent up to now is 52.5 secs Computing kpt #: 207 total cpu time spent up to now is 52.8 secs Computing kpt #: 208 total cpu time spent up to now is 53.0 secs Computing kpt #: 209 total cpu time spent up to now is 53.3 secs Computing kpt #: 210 total cpu time spent up to now is 53.5 secs Computing kpt #: 211 total cpu time spent up to now is 53.7 secs Computing kpt #: 212 total cpu time spent up to now is 54.0 secs Computing kpt #: 213 total cpu time spent up to now is 54.3 secs Computing kpt #: 214 total cpu time spent up to now is 54.5 secs Computing kpt #: 215 total cpu time spent up to now is 54.8 secs Computing kpt #: 216 total cpu time spent up to now is 55.0 secs Computing kpt #: 217 total cpu time spent up to now is 55.3 secs Computing kpt #: 218 total cpu time spent up to now is 55.5 secs Computing kpt #: 219 total cpu time spent up to now is 55.7 secs Computing kpt #: 220 total cpu time spent up to now is 55.9 secs Computing kpt #: 221 total cpu time spent up to now is 56.1 secs Computing kpt #: 222 total cpu time spent up to now is 56.3 secs Computing kpt #: 223 total cpu time spent up to now is 56.5 secs Computing kpt #: 224 total cpu time spent up to now is 56.7 secs Computing kpt #: 225 total cpu time spent up to now is 56.9 secs Computing kpt #: 226 total cpu time spent up to now is 57.0 secs Computing kpt #: 227 total cpu time spent up to now is 57.3 secs Computing kpt #: 228 total cpu time spent up to now is 57.6 secs Computing kpt #: 229 total cpu time spent up to now is 57.9 secs Computing kpt #: 230 total cpu time spent up to now is 58.1 secs Computing kpt #: 231 total cpu time spent up to now is 58.4 secs Computing kpt #: 232 total cpu time spent up to now is 58.7 secs Computing kpt #: 233 total cpu time spent up to now is 58.9 secs Computing kpt #: 234 total cpu time spent up to now is 59.2 secs Computing kpt #: 235 total cpu time spent up to now is 59.5 secs Computing kpt #: 236 total cpu time spent up to now is 59.8 secs Computing kpt #: 237 total cpu time spent up to now is 60.1 secs Computing kpt #: 238 total cpu time spent up to now is 60.3 secs Computing kpt #: 239 total cpu time spent up to now is 60.6 secs Computing kpt #: 240 total cpu time spent up to now is 60.8 secs Computing kpt #: 241 total cpu time spent up to now is 61.1 secs Computing kpt #: 242 total cpu time spent up to now is 61.3 secs Computing kpt #: 243 total cpu time spent up to now is 61.5 secs Computing kpt #: 244 total cpu time spent up to now is 61.8 secs Computing kpt #: 245 total cpu time spent up to now is 62.0 secs Computing kpt #: 246 total cpu time spent up to now is 62.2 secs Computing kpt #: 247 total cpu time spent up to now is 62.5 secs Computing kpt #: 248 total cpu time spent up to now is 62.8 secs Computing kpt #: 249 total cpu time spent up to now is 63.1 secs Computing kpt #: 250 total cpu time spent up to now is 63.4 secs Computing kpt #: 251 total cpu time spent up to now is 63.8 secs Computing kpt #: 252 total cpu time spent up to now is 64.2 secs Computing kpt #: 253 total cpu time spent up to now is 64.6 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.2 secs Computing kpt #: 255 total cpu time spent up to now is 65.5 secs Computing kpt #: 256 total cpu time spent up to now is 66.0 secs Computing kpt #: 257 total cpu time spent up to now is 66.3 secs Computing kpt #: 258 total cpu time spent up to now is 66.5 secs Computing kpt #: 259 total cpu time spent up to now is 66.7 secs Computing kpt #: 260 total cpu time spent up to now is 67.0 secs Computing kpt #: 261 total cpu time spent up to now is 67.3 secs Computing kpt #: 262 total cpu time spent up to now is 67.5 secs Computing kpt #: 263 total cpu time spent up to now is 67.7 secs Computing kpt #: 264 total cpu time spent up to now is 67.8 secs Computing kpt #: 265 total cpu time spent up to now is 68.0 secs Computing kpt #: 266 total cpu time spent up to now is 68.2 secs Computing kpt #: 267 total cpu time spent up to now is 68.4 secs Computing kpt #: 268 total cpu time spent up to now is 68.6 secs Computing kpt #: 269 total cpu time spent up to now is 68.7 secs Computing kpt #: 270 total cpu time spent up to now is 68.9 secs Computing kpt #: 271 total cpu time spent up to now is 69.1 secs Computing kpt #: 272 total cpu time spent up to now is 69.3 secs Computing kpt #: 273 total cpu time spent up to now is 69.5 secs Computing kpt #: 274 total cpu time spent up to now is 69.7 secs Computing kpt #: 275 total cpu time spent up to now is 69.9 secs Computing kpt #: 276 total cpu time spent up to now is 70.1 secs Computing kpt #: 277 total cpu time spent up to now is 70.2 secs Computing kpt #: 278 total cpu time spent up to now is 70.4 secs Computing kpt #: 279 total cpu time spent up to now is 70.6 secs Computing kpt #: 280 total cpu time spent up to now is 70.8 secs Computing kpt #: 281 total cpu time spent up to now is 70.9 secs Computing kpt #: 282 total cpu time spent up to now is 71.1 secs Computing kpt #: 283 total cpu time spent up to now is 71.3 secs Computing kpt #: 284 total cpu time spent up to now is 71.5 secs Computing kpt #: 285 total cpu time spent up to now is 71.7 secs Computing kpt #: 286 total cpu time spent up to now is 71.8 secs Computing kpt #: 287 total cpu time spent up to now is 72.0 secs Computing kpt #: 288 total cpu time spent up to now is 72.2 secs Computing kpt #: 289 total cpu time spent up to now is 72.4 secs Computing kpt #: 290 total cpu time spent up to now is 72.5 secs Computing kpt #: 291 total cpu time spent up to now is 72.7 secs Computing kpt #: 292 total cpu time spent up to now is 72.9 secs Computing kpt #: 293 total cpu time spent up to now is 73.0 secs Computing kpt #: 294 total cpu time spent up to now is 73.2 secs Computing kpt #: 295 total cpu time spent up to now is 73.4 secs Computing kpt #: 296 total cpu time spent up to now is 73.6 secs Computing kpt #: 297 total cpu time spent up to now is 73.8 secs Computing kpt #: 298 total cpu time spent up to now is 74.0 secs Computing kpt #: 299 total cpu time spent up to now is 74.1 secs Computing kpt #: 300 total cpu time spent up to now is 74.3 secs Computing kpt #: 301 total cpu time spent up to now is 74.5 secs Computing kpt #: 302 total cpu time spent up to now is 74.7 secs Computing kpt #: 303 total cpu time spent up to now is 74.8 secs Computing kpt #: 304 total cpu time spent up to now is 75.0 secs Computing kpt #: 305 total cpu time spent up to now is 75.2 secs Computing kpt #: 306 total cpu time spent up to now is 75.4 secs Computing kpt #: 307 total cpu time spent up to now is 75.6 secs Computing kpt #: 308 total cpu time spent up to now is 75.8 secs Computing kpt #: 309 total cpu time spent up to now is 76.0 secs Computing kpt #: 310 total cpu time spent up to now is 76.2 secs Computing kpt #: 311 total cpu time spent up to now is 76.4 secs Computing kpt #: 312 total cpu time spent up to now is 76.6 secs Computing kpt #: 313 total cpu time spent up to now is 76.8 secs Computing kpt #: 314 total cpu time spent up to now is 77.0 secs Computing kpt #: 315 total cpu time spent up to now is 77.3 secs Computing kpt #: 316 total cpu time spent up to now is 77.5 secs Computing kpt #: 317 total cpu time spent up to now is 77.7 secs Computing kpt #: 318 total cpu time spent up to now is 77.9 secs Computing kpt #: 319 total cpu time spent up to now is 78.1 secs Computing kpt #: 320 total cpu time spent up to now is 78.3 secs Computing kpt #: 321 total cpu time spent up to now is 78.5 secs Computing kpt #: 322 total cpu time spent up to now is 78.7 secs Computing kpt #: 323 total cpu time spent up to now is 79.0 secs Computing kpt #: 324 total cpu time spent up to now is 79.2 secs Computing kpt #: 325 total cpu time spent up to now is 79.5 secs Computing kpt #: 326 total cpu time spent up to now is 79.8 secs Computing kpt #: 327 total cpu time spent up to now is 80.0 secs Computing kpt #: 328 total cpu time spent up to now is 80.2 secs Computing kpt #: 329 total cpu time spent up to now is 80.3 secs Computing kpt #: 330 total cpu time spent up to now is 80.5 secs Computing kpt #: 331 total cpu time spent up to now is 80.7 secs Computing kpt #: 332 total cpu time spent up to now is 80.9 secs Computing kpt #: 333 total cpu time spent up to now is 81.1 secs Computing kpt #: 334 total cpu time spent up to now is 81.3 secs Computing kpt #: 335 total cpu time spent up to now is 81.5 secs Computing kpt #: 336 total cpu time spent up to now is 81.6 secs Computing kpt #: 337 total cpu time spent up to now is 81.8 secs Computing kpt #: 338 total cpu time spent up to now is 82.0 secs Computing kpt #: 339 total cpu time spent up to now is 82.2 secs Computing kpt #: 340 total cpu time spent up to now is 82.3 secs Computing kpt #: 341 total cpu time spent up to now is 82.5 secs Computing kpt #: 342 total cpu time spent up to now is 82.7 secs Computing kpt #: 343 total cpu time spent up to now is 82.9 secs Computing kpt #: 344 total cpu time spent up to now is 83.1 secs Computing kpt #: 345 total cpu time spent up to now is 83.2 secs Computing kpt #: 346 total cpu time spent up to now is 83.4 secs Computing kpt #: 347 total cpu time spent up to now is 83.6 secs Computing kpt #: 348 total cpu time spent up to now is 83.8 secs Computing kpt #: 349 total cpu time spent up to now is 83.9 secs Computing kpt #: 350 total cpu time spent up to now is 84.1 secs Computing kpt #: 351 total cpu time spent up to now is 84.3 secs Computing kpt #: 352 total cpu time spent up to now is 84.4 secs Computing kpt #: 353 total cpu time spent up to now is 84.6 secs Computing kpt #: 354 total cpu time spent up to now is 84.8 secs Computing kpt #: 355 total cpu time spent up to now is 85.0 secs Computing kpt #: 356 total cpu time spent up to now is 85.1 secs Computing kpt #: 357 total cpu time spent up to now is 85.3 secs Computing kpt #: 358 total cpu time spent up to now is 85.5 secs Computing kpt #: 359 total cpu time spent up to now is 85.7 secs Computing kpt #: 360 total cpu time spent up to now is 85.9 secs Computing kpt #: 361 total cpu time spent up to now is 86.2 secs Computing kpt #: 362 total cpu time spent up to now is 86.4 secs Computing kpt #: 363 total cpu time spent up to now is 86.7 secs Computing kpt #: 364 total cpu time spent up to now is 86.9 secs Computing kpt #: 365 total cpu time spent up to now is 87.1 secs Computing kpt #: 366 total cpu time spent up to now is 87.3 secs Computing kpt #: 367 total cpu time spent up to now is 87.7 secs Computing kpt #: 368 total cpu time spent up to now is 87.9 secs Computing kpt #: 369 total cpu time spent up to now is 88.2 secs Computing kpt #: 370 total cpu time spent up to now is 88.4 secs Computing kpt #: 371 total cpu time spent up to now is 88.7 secs Computing kpt #: 372 total cpu time spent up to now is 88.9 secs Computing kpt #: 373 total cpu time spent up to now is 89.2 secs Computing kpt #: 374 total cpu time spent up to now is 89.4 secs Computing kpt #: 375 total cpu time spent up to now is 89.7 secs Computing kpt #: 376 total cpu time spent up to now is 89.9 secs Computing kpt #: 377 total cpu time spent up to now is 90.2 secs Computing kpt #: 378 total cpu time spent up to now is 90.4 secs Computing kpt #: 379 total cpu time spent up to now is 90.7 secs Computing kpt #: 380 total cpu time spent up to now is 90.9 secs Computing kpt #: 381 total cpu time spent up to now is 91.1 secs Computing kpt #: 382 total cpu time spent up to now is 91.4 secs Computing kpt #: 383 total cpu time spent up to now is 91.6 secs Computing kpt #: 384 total cpu time spent up to now is 91.8 secs Computing kpt #: 385 total cpu time spent up to now is 92.0 secs Computing kpt #: 386 total cpu time spent up to now is 92.3 secs Computing kpt #: 387 total cpu time spent up to now is 92.5 secs Computing kpt #: 388 total cpu time spent up to now is 92.7 secs Computing kpt #: 389 total cpu time spent up to now is 92.9 secs Computing kpt #: 390 total cpu time spent up to now is 93.1 secs Computing kpt #: 391 total cpu time spent up to now is 93.3 secs Computing kpt #: 392 total cpu time spent up to now is 93.5 secs Computing kpt #: 393 total cpu time spent up to now is 93.7 secs Computing kpt #: 394 total cpu time spent up to now is 93.9 secs Computing kpt #: 395 total cpu time spent up to now is 94.2 secs Computing kpt #: 396 total cpu time spent up to now is 94.4 secs Computing kpt #: 397 total cpu time spent up to now is 94.6 secs Computing kpt #: 398 total cpu time spent up to now is 94.9 secs Computing kpt #: 399 total cpu time spent up to now is 95.1 secs Computing kpt #: 400 total cpu time spent up to now is 95.4 secs Computing kpt #: 401 total cpu time spent up to now is 95.6 secs Computing kpt #: 402 total cpu time spent up to now is 95.8 secs Computing kpt #: 403 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.4 secs Computing kpt #: 404 total cpu time spent up to now is 96.6 secs Computing kpt #: 405 total cpu time spent up to now is 96.8 secs Computing kpt #: 406 total cpu time spent up to now is 97.0 secs Computing kpt #: 407 total cpu time spent up to now is 97.2 secs Computing kpt #: 408 total cpu time spent up to now is 97.3 secs Computing kpt #: 409 total cpu time spent up to now is 97.5 secs Computing kpt #: 410 total cpu time spent up to now is 97.8 secs Computing kpt #: 411 total cpu time spent up to now is 98.1 secs Computing kpt #: 412 total cpu time spent up to now is 98.2 secs Computing kpt #: 413 total cpu time spent up to now is 98.4 secs Computing kpt #: 414 total cpu time spent up to now is 98.7 secs Computing kpt #: 415 total cpu time spent up to now is 98.9 secs Computing kpt #: 416 total cpu time spent up to now is 99.0 secs Computing kpt #: 417 total cpu time spent up to now is 99.3 secs Computing kpt #: 418 total cpu time spent up to now is 99.5 secs Computing kpt #: 419 total cpu time spent up to now is 99.8 secs Computing kpt #: 420 total cpu time spent up to now is 100.1 secs Computing kpt #: 421 total cpu time spent up to now is 100.4 secs Computing kpt #: 422 total cpu time spent up to now is 100.6 secs Computing kpt #: 423 total cpu time spent up to now is 100.9 secs Computing kpt #: 424 total cpu time spent up to now is 101.3 secs Computing kpt #: 425 total cpu time spent up to now is 101.6 secs Computing kpt #: 426 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.2 secs Computing kpt #: 427 total cpu time spent up to now is 102.4 secs Computing kpt #: 428 total cpu time spent up to now is 102.7 secs Computing kpt #: 429 total cpu time spent up to now is 102.9 secs Computing kpt #: 430 total cpu time spent up to now is 103.1 secs Computing kpt #: 431 total cpu time spent up to now is 103.3 secs Computing kpt #: 432 total cpu time spent up to now is 103.5 secs Computing kpt #: 433 total cpu time spent up to now is 103.6 secs Computing kpt #: 434 total cpu time spent up to now is 103.8 secs Computing kpt #: 435 total cpu time spent up to now is 104.0 secs Computing kpt #: 436 total cpu time spent up to now is 104.2 secs Computing kpt #: 437 total cpu time spent up to now is 104.4 secs Computing kpt #: 438 total cpu time spent up to now is 104.5 secs Computing kpt #: 439 total cpu time spent up to now is 104.7 secs Computing kpt #: 440 total cpu time spent up to now is 104.9 secs Computing kpt #: 441 total cpu time spent up to now is 105.1 secs Computing kpt #: 442 total cpu time spent up to now is 105.2 secs Computing kpt #: 443 total cpu time spent up to now is 105.4 secs Computing kpt #: 444 total cpu time spent up to now is 105.6 secs Computing kpt #: 445 total cpu time spent up to now is 105.8 secs Computing kpt #: 446 total cpu time spent up to now is 106.0 secs Computing kpt #: 447 total cpu time spent up to now is 106.1 secs Computing kpt #: 448 total cpu time spent up to now is 106.5 secs Computing kpt #: 449 total cpu time spent up to now is 106.6 secs ethr = 4.55E-08, avg # of iterations = 34.2 total cpu time spent up to now is 106.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1325 PWs) bands (ev): -31.5420 -31.5420 -15.6203 -15.6203 -12.7117 -12.7117 -12.3490 -12.3490 -12.3101 -12.3101 -5.1211 -5.1211 0.6331 0.6331 3.2196 3.2196 3.2443 3.2443 7.3845 7.3845 7.4046 7.4046 11.9100 11.9100 12.0143 12.0143 13.9613 13.9613 15.2744 15.2746 k = 0.0000 0.0000 0.0123 ( 1337 PWs) bands (ev): -31.5420 -31.5420 -15.6205 -15.6205 -12.7118 -12.7118 -12.3490 -12.3490 -12.3102 -12.3102 -5.1213 -5.1213 0.6334 0.6334 3.2184 3.2184 3.2432 3.2432 7.3847 7.3847 7.4048 7.4048 11.9130 11.9130 12.0162 12.0162 13.9628 13.9628 15.2731 15.2731 k = 0.0000 0.0000 0.0246 ( 1337 PWs) bands (ev): -31.5419 -31.5419 -15.6213 -15.6213 -12.7115 -12.7115 -12.3487 -12.3487 -12.3103 -12.3103 -5.1218 -5.1218 0.6343 0.6343 3.2149 3.2149 3.2404 3.2404 7.3844 7.3844 7.4066 7.4066 11.9223 11.9223 12.0221 12.0221 13.9679 13.9679 15.2689 15.2694 k = 0.0000 0.0000 0.0369 ( 1341 PWs) bands (ev): -31.5417 -31.5417 -15.6226 -15.6226 -12.7112 -12.7112 -12.3481 -12.3481 -12.3104 -12.3104 -5.1226 -5.1226 0.6357 0.6357 3.2080 3.2080 3.2365 3.2365 7.3819 7.3819 7.4115 7.4115 11.9377 11.9377 12.0320 12.0320 13.9763 13.9763 15.2611 15.2611 k = 0.0000 0.0000 0.0491 ( 1337 PWs) bands (ev): -31.5414 -31.5414 -15.6243 -15.6243 -12.7106 -12.7106 -12.3473 -12.3473 -12.3104 -12.3104 -5.1237 -5.1237 0.6377 0.6377 3.1973 3.1973 3.2325 3.2325 7.3767 7.3767 7.4202 7.4202 11.9590 11.9590 12.0459 12.0459 13.9882 13.9882 15.2494 15.2494 k = 0.0000 0.0000 0.0614 ( 1343 PWs) bands (ev): -31.5411 -31.5411 -15.6265 -15.6265 -12.7100 -12.7100 -12.3464 -12.3464 -12.3105 -12.3105 -5.1252 -5.1252 0.6403 0.6403 3.1826 3.1826 3.2285 3.2285 7.3690 7.3690 7.4324 7.4324 11.9860 11.9860 12.0636 12.0636 14.0034 14.0034 15.2334 15.2334 k = 0.0000 0.0000 0.0737 ( 1347 PWs) bands (ev): -31.5407 -31.5407 -15.6291 -15.6291 -12.7093 -12.7093 -12.3455 -12.3455 -12.3106 -12.3106 -5.1270 -5.1270 0.6434 0.6434 3.1640 3.1640 3.2245 3.2245 7.3591 7.3591 7.4477 7.4477 12.0184 12.0184 12.0852 12.0852 14.0222 14.0222 15.2136 15.2136 k = 0.0000 0.0000 0.0860 ( 1349 PWs) bands (ev): -31.5403 -31.5403 -15.6322 -15.6322 -12.7085 -12.7085 -12.3444 -12.3444 -12.3104 -12.3104 -5.1290 -5.1290 0.6471 0.6471 3.1422 3.1422 3.2204 3.2204 7.3472 7.3472 7.4660 7.4660 12.0559 12.0559 12.1106 12.1106 14.0445 14.0445 15.1907 15.1907 k = 0.0000 0.0000 0.0983 ( 1345 PWs) bands (ev): -31.5397 -31.5397 -15.6355 -15.6355 -12.7077 -12.7077 -12.3435 -12.3435 -12.3100 -12.3100 -5.1314 -5.1314 0.6514 0.6514 3.1173 3.1173 3.2160 3.2160 7.3335 7.3335 7.4871 7.4871 12.0981 12.0981 12.1398 12.1398 14.0704 14.0704 15.1647 15.1647 k = 0.0000 0.0000 0.1106 ( 1347 PWs) bands (ev): -31.5391 -31.5391 -15.6393 -15.6393 -12.7069 -12.7069 -12.3428 -12.3428 -12.3094 -12.3094 -5.1340 -5.1340 0.6562 0.6562 3.0898 3.0898 3.2113 3.2113 7.3180 7.3180 7.5109 7.5109 12.1445 12.1445 12.1727 12.1727 14.0999 14.0999 15.1358 15.1358 k = 0.0000 0.0000 0.1229 ( 1347 PWs) bands (ev): -31.5385 -31.5385 -15.6432 -15.6432 -12.7061 -12.7061 -12.3423 -12.3423 -12.3084 -12.3084 -5.1369 -5.1369 0.6616 0.6616 3.0600 3.0600 3.2062 3.2062 7.3008 7.3008 7.5372 7.5372 12.1948 12.1948 12.2091 12.2091 14.1330 14.1330 15.1046 15.1046 k = 0.0000 0.0000 0.1351 ( 1347 PWs) bands (ev): -31.5377 -31.5377 -15.6475 -15.6475 -12.7054 -12.7054 -12.3422 -12.3422 -12.3070 -12.3070 -5.1400 -5.1400 0.6675 0.6675 3.0281 3.0281 3.2008 3.2008 7.2820 7.2820 7.5659 7.5659 12.2482 12.2482 12.2494 12.2494 14.1698 14.1698 15.0712 15.0712 k = 0.0000 0.0000 0.1474 ( 1347 PWs) bands (ev): -31.5369 -31.5369 -15.6518 -15.6518 -12.7049 -12.7049 -12.3425 -12.3425 -12.3052 -12.3052 -5.1434 -5.1434 0.6739 0.6739 2.9945 2.9945 3.1951 3.1951 7.2618 7.2618 7.5970 7.5970 12.2924 12.2924 12.3051 12.3051 14.2102 14.2102 15.0359 15.0359 k = 0.0000 0.0000 0.1597 ( 1351 PWs) bands (ev): -31.5361 -31.5361 -15.6563 -15.6563 -12.7045 -12.7045 -12.3433 -12.3433 -12.3031 -12.3031 -5.1469 -5.1469 0.6809 0.6809 2.9596 2.9596 3.1891 3.1891 7.2400 7.2400 7.6304 7.6304 12.3391 12.3391 12.3640 12.3640 14.2544 14.2544 14.9988 14.9988 k = 0.0000 0.0000 0.1720 ( 1351 PWs) bands (ev): -31.5352 -31.5352 -15.6609 -15.6609 -12.7043 -12.7043 -12.3444 -12.3444 -12.3007 -12.3007 -5.1506 -5.1506 0.6885 0.6885 2.9235 2.9235 3.1828 3.1828 7.2169 7.2169 7.6658 7.6658 12.3890 12.3890 12.4247 12.4247 14.3022 14.3022 14.9606 14.9606 k = 0.0000 0.0000 0.1843 ( 1347 PWs) bands (ev): -31.5342 -31.5342 -15.6655 -15.6655 -12.7042 -12.7042 -12.3459 -12.3459 -12.2981 -12.2981 -5.1545 -5.1545 0.6966 0.6966 2.8867 2.8867 3.1763 3.1763 7.1926 7.1926 7.7033 7.7033 12.4421 12.4421 12.4869 12.4869 14.3536 14.3536 14.9213 14.9213 k = 0.0000 0.0000 0.1966 ( 1353 PWs) bands (ev): -31.5332 -31.5332 -15.6701 -15.6701 -12.7044 -12.7044 -12.3477 -12.3477 -12.2954 -12.2954 -5.1585 -5.1585 0.7052 0.7052 2.8493 2.8493 3.1695 3.1695 7.1670 7.1670 7.7425 7.7425 12.4980 12.4980 12.5501 12.5501 14.4084 14.4084 14.8812 14.8812 k = 0.0000 0.0000 0.2089 ( 1353 PWs) bands (ev): -31.5322 -31.5322 -15.6745 -15.6745 -12.7048 -12.7048 -12.3498 -12.3498 -12.2927 -12.2927 -5.1627 -5.1627 0.7144 0.7144 2.8118 2.8118 3.1626 3.1626 7.1403 7.1403 7.7834 7.7834 12.5568 12.5568 12.6137 12.6137 14.4667 14.4667 14.8407 14.8407 k = 0.0000 0.0000 0.2211 ( 1353 PWs) bands (ev): -31.5311 -31.5311 -15.6788 -15.6788 -12.7055 -12.7055 -12.3521 -12.3521 -12.2902 -12.2902 -5.1669 -5.1669 0.7241 0.7241 2.7742 2.7742 3.1555 3.1555 7.1126 7.1126 7.8259 7.8259 12.6183 12.6183 12.6775 12.6775 14.5281 14.5281 14.8000 14.8000 k = 0.0000 0.0000 0.2334 ( 1353 PWs) bands (ev): -31.5299 -31.5299 -15.6829 -15.6829 -12.7064 -12.7064 -12.3546 -12.3546 -12.2878 -12.2878 -5.1713 -5.1713 0.7344 0.7344 2.7370 2.7370 3.1483 3.1483 7.0840 7.0840 7.8696 7.8696 12.6824 12.6824 12.7410 12.7410 14.5924 14.5924 14.7594 14.7594 k = 0.0000 0.0000 0.2457 ( 1353 PWs) bands (ev): -31.5287 -31.5287 -15.6868 -15.6868 -12.7076 -12.7076 -12.3574 -12.3574 -12.2858 -12.2858 -5.1756 -5.1756 0.7453 0.7453 2.7002 2.7002 3.1410 3.1410 7.0546 7.0546 7.9146 7.9146 12.7489 12.7489 12.8041 12.8041 14.6591 14.6591 14.7194 14.7194 k = 0.0000 0.0000 0.2580 ( 1352 PWs) bands (ev): -31.5275 -31.5275 -15.6904 -15.6904 -12.7091 -12.7091 -12.3602 -12.3602 -12.2841 -12.2841 -5.1801 -5.1801 0.7567 0.7567 2.6642 2.6642 3.1337 3.1337 7.0244 7.0244 7.9605 7.9605 12.8176 12.8176 12.8664 12.8664 14.6790 14.6790 14.7290 14.7290 k = 0.0000 0.0000 0.2703 ( 1352 PWs) bands (ev): -31.5262 -31.5262 -15.6936 -15.6936 -12.7109 -12.7109 -12.3633 -12.3633 -12.2829 -12.2829 -5.1845 -5.1845 0.7687 0.7687 2.6290 2.6290 3.1264 3.1264 6.9935 6.9935 8.0073 8.0073 12.8884 12.8884 12.9277 12.9277 14.6406 14.6406 14.7995 14.7995 k = 0.0000 0.0000 0.2826 ( 1352 PWs) bands (ev): -31.5250 -31.5250 -15.6964 -15.6964 -12.7129 -12.7129 -12.3665 -12.3665 -12.2822 -12.2822 -5.1889 -5.1889 0.7813 0.7813 2.5949 2.5949 3.1190 3.1190 6.9621 6.9621 8.0546 8.0546 12.9612 12.9612 12.9878 12.9878 14.6032 14.6032 14.8715 14.8716 k = 0.0000 0.0000 0.2949 ( 1344 PWs) bands (ev): -31.5236 -31.5236 -15.6988 -15.6988 -12.7151 -12.7151 -12.3698 -12.3698 -12.2820 -12.2820 -5.1933 -5.1933 0.7946 0.7946 2.5620 2.5620 3.1118 3.1118 6.9302 6.9302 8.1024 8.1024 13.0354 13.0354 13.0470 13.0470 14.5673 14.5673 14.9443 14.9443 k = 0.0000 0.0000 0.3071 ( 1344 PWs) bands (ev): -31.5223 -31.5223 -15.7008 -15.7008 -12.7177 -12.7177 -12.3732 -12.3732 -12.2826 -12.2826 -5.1977 -5.1977 0.8084 0.8084 2.5304 2.5304 3.1045 3.1045 6.8980 6.8980 8.1504 8.1504 13.1029 13.1029 13.1130 13.1130 14.5330 14.5330 15.0169 15.0170 k = 0.0000 0.0000 0.3194 ( 1346 PWs) bands (ev): -31.5210 -31.5210 -15.7022 -15.7022 -12.7205 -12.7205 -12.3768 -12.3768 -12.2838 -12.2838 -5.2020 -5.2020 0.8229 0.8229 2.5002 2.5002 3.0974 3.0974 6.8654 6.8654 8.1984 8.1984 13.1593 13.1593 13.1901 13.1901 14.5006 14.5006 15.0711 15.0711 k = 0.0000 0.0000 0.3317 ( 1350 PWs) bands (ev): -31.5196 -31.5196 -15.7032 -15.7032 -12.7236 -12.7236 -12.3805 -12.3805 -12.2858 -12.2858 -5.2063 -5.2063 0.8381 0.8381 2.4715 2.4715 3.0904 3.0904 6.8326 6.8326 8.2461 8.2461 13.2136 13.2136 13.2689 13.2689 14.4703 14.4703 15.0635 15.0636 k = 0.0000 0.0000 0.3440 ( 1350 PWs) bands (ev): -31.5182 -31.5182 -15.7036 -15.7036 -12.7270 -12.7270 -12.3842 -12.3842 -12.2886 -12.2886 -5.2105 -5.2105 0.8539 0.8539 2.4443 2.4443 3.0836 3.0836 6.7998 6.7998 8.2935 8.2935 13.2663 13.2663 13.3489 13.3489 14.4425 14.4425 15.0563 15.0563 k = 0.0000 0.0000 0.3563 ( 1358 PWs) bands (ev): -31.5169 -31.5169 -15.7034 -15.7034 -12.7306 -12.7306 -12.3881 -12.3881 -12.2922 -12.2922 -5.2145 -5.2145 0.8705 0.8705 2.4187 2.4187 3.0769 3.0769 6.7669 6.7669 8.3402 8.3402 13.3173 13.3173 13.4297 13.4297 14.4170 14.4170 15.0496 15.0496 k = 0.0000 0.0000 0.3686 ( 1360 PWs) bands (ev): -31.5155 -31.5155 -15.7027 -15.7027 -12.7344 -12.7344 -12.3920 -12.3920 -12.2966 -12.2966 -5.2185 -5.2185 0.8877 0.8877 2.3946 2.3946 3.0704 3.0704 6.7340 6.7340 8.3861 8.3861 13.3666 13.3666 13.5112 13.5112 14.3946 14.3946 15.0433 15.0434 k = 0.0000 0.0000 0.3809 ( 1360 PWs) bands (ev): -31.5141 -31.5141 -15.7014 -15.7014 -12.7385 -12.7385 -12.3959 -12.3959 -12.3017 -12.3017 -5.2223 -5.2223 0.9057 0.9057 2.3722 2.3722 3.0640 3.0640 6.7013 6.7013 8.4311 8.4311 13.4141 13.4141 13.5932 13.5932 14.3750 14.3750 15.0375 15.0375 k = 0.0000 0.0000 0.3931 ( 1360 PWs) bands (ev): -31.5127 -31.5127 -15.6995 -15.6995 -12.7428 -12.7428 -12.4000 -12.4000 -12.3076 -12.3076 -5.2260 -5.2260 0.9244 0.9244 2.3513 2.3513 3.0579 3.0579 6.6688 6.6688 8.4748 8.4748 13.4599 13.4599 13.6755 13.6755 14.3586 14.3586 15.0322 15.0322 k = 0.0000 0.0000 0.4054 ( 1360 PWs) bands (ev): -31.5113 -31.5113 -15.6970 -15.6970 -12.7473 -12.7473 -12.4041 -12.4041 -12.3143 -12.3143 -5.2295 -5.2295 0.9438 0.9438 2.3319 2.3319 3.0520 3.0520 6.6365 6.6365 8.5172 8.5172 13.5039 13.5039 13.7579 13.7579 14.3454 14.3454 15.0273 15.0273 k = 0.0000 0.0000 0.4177 ( 1358 PWs) bands (ev): -31.5099 -31.5099 -15.6939 -15.6939 -12.7520 -12.7520 -12.4083 -12.4083 -12.3217 -12.3217 -5.2329 -5.2329 0.9640 0.9640 2.3140 2.3140 3.0464 3.0464 6.6047 6.6047 8.5581 8.5581 13.5460 13.5460 13.8403 13.8403 14.3355 14.3355 15.0228 15.0228 k = 0.0000 0.0000 0.4300 ( 1350 PWs) bands (ev): -31.5086 -31.5086 -15.6903 -15.6903 -12.7569 -12.7569 -12.4126 -12.4126 -12.3296 -12.3296 -5.2362 -5.2362 0.9848 0.9848 2.2976 2.2976 3.0410 3.0410 6.5733 6.5733 8.5974 8.5974 13.5862 13.5862 13.9224 13.9224 14.3290 14.3290 15.0188 15.0188 k = 0.0000 0.0000 0.4423 ( 1350 PWs) bands (ev): -31.5072 -31.5072 -15.6861 -15.6861 -12.7621 -12.7621 -12.4170 -12.4170 -12.3382 -12.3382 -5.2393 -5.2393 1.0064 1.0064 2.2825 2.2825 3.0358 3.0358 6.5423 6.5423 8.6348 8.6348 13.6244 13.6244 14.0039 14.0039 14.3259 14.3259 15.0151 15.0151 k = 0.0000 0.0000 0.4546 ( 1350 PWs) bands (ev): -31.5059 -31.5059 -15.6813 -15.6813 -12.7675 -12.7675 -12.4215 -12.4215 -12.3473 -12.3473 -5.2422 -5.2422 1.0287 1.0287 2.2686 2.2686 3.0309 3.0309 6.5120 6.5120 8.6704 8.6704 13.6605 13.6605 14.0846 14.0846 14.3262 14.3262 15.0118 15.0118 k = 0.0000 0.0000 0.4669 ( 1352 PWs) bands (ev): -31.5046 -31.5046 -15.6760 -15.6760 -12.7731 -12.7731 -12.4262 -12.4262 -12.3567 -12.3567 -5.2450 -5.2450 1.0515 1.0515 2.2560 2.2560 3.0262 3.0262 6.4823 6.4823 8.7039 8.7039 13.6944 13.6944 14.1644 14.1644 14.3299 14.3299 15.0088 15.0088 k = 0.0000 0.0000 0.4791 ( 1356 PWs) bands (ev): -31.5033 -31.5033 -15.6702 -15.6702 -12.7790 -12.7790 -12.4312 -12.4312 -12.3664 -12.3664 -5.2476 -5.2476 1.0750 1.0750 2.2445 2.2445 3.0218 3.0218 6.4532 6.4532 8.7354 8.7354 13.7262 13.7262 14.2429 14.2429 14.3370 14.3370 15.0061 15.0061 k = 0.0000 0.0000 0.4914 ( 1360 PWs) bands (ev): -31.5021 -31.5021 -15.6640 -15.6640 -12.7851 -12.7851 -12.4364 -12.4364 -12.3762 -12.3762 -5.2501 -5.2501 1.0990 1.0990 2.2340 2.2340 3.0176 3.0176 6.4250 6.4250 8.7648 8.7648 13.7557 13.7557 14.3196 14.3196 14.3478 14.3478 15.0038 15.0038 k = 0.0000 0.0000 0.5037 ( 1364 PWs) bands (ev): -31.5009 -31.5009 -15.6574 -15.6574 -12.7914 -12.7914 -12.4420 -12.4420 -12.3858 -12.3858 -5.2523 -5.2523 1.1235 1.1235 2.2245 2.2245 3.0137 3.0137 6.3975 6.3975 8.7921 8.7921 13.7828 13.7828 14.3597 14.3597 14.3968 14.3968 15.0018 15.0018 k = 0.0000 0.0000 0.5160 ( 1364 PWs) bands (ev): -31.4997 -31.4997 -15.6504 -15.6504 -12.7978 -12.7978 -12.4482 -12.4482 -12.3950 -12.3950 -5.2545 -5.2545 1.1483 1.1483 2.2158 2.2158 3.0100 3.0100 6.3709 6.3709 8.8174 8.8174 13.8076 13.8076 14.3764 14.3764 14.4704 14.4704 15.0001 15.0001 k = 0.0000 0.0000 0.5283 ( 1364 PWs) bands (ev): -31.4986 -31.4986 -15.6431 -15.6431 -12.8045 -12.8045 -12.4549 -12.4549 -12.4037 -12.4037 -5.2565 -5.2565 1.1735 1.1735 2.2078 2.2078 3.0066 3.0066 6.3452 6.3452 8.8405 8.8405 13.8300 13.8300 14.3954 14.3954 14.5423 14.5423 14.9986 14.9986 k = 0.0000 0.0000 0.5406 ( 1368 PWs) bands (ev): -31.4975 -31.4975 -15.6355 -15.6355 -12.8114 -12.8114 -12.4624 -12.4624 -12.4116 -12.4116 -5.2583 -5.2583 1.1989 1.1989 2.2005 2.2005 3.0034 3.0034 6.3205 6.3205 8.8617 8.8617 13.8500 13.8500 14.4169 14.4169 14.6121 14.6121 14.9974 14.9974 k = 0.0000 0.0000 0.5529 ( 1364 PWs) bands (ev): -31.4964 -31.4964 -15.6277 -15.6277 -12.8184 -12.8184 -12.4705 -12.4705 -12.4186 -12.4186 -5.2600 -5.2600 1.2245 1.2245 2.1938 2.1938 3.0004 3.0004 6.2967 6.2967 8.8809 8.8809 13.8676 13.8676 14.4406 14.4406 14.6796 14.6796 14.9965 14.9965 k = 0.0000 0.0000 0.5651 ( 1364 PWs) bands (ev): -31.4954 -31.4954 -15.6197 -15.6197 -12.8255 -12.8255 -12.4792 -12.4792 -12.4248 -12.4248 -5.2615 -5.2615 1.2500 1.2500 2.1876 2.1876 2.9977 2.9977 6.2740 6.2740 8.8981 8.8981 13.8828 13.8828 14.4661 14.4661 14.7446 14.7446 14.9957 14.9957 k = 0.0000 0.0000 0.5774 ( 1364 PWs) bands (ev): -31.4944 -31.4944 -15.6117 -15.6117 -12.8328 -12.8328 -12.4883 -12.4883 -12.4302 -12.4302 -5.2629 -5.2629 1.2753 1.2753 2.1818 2.1818 2.9952 2.9952 6.2525 6.2525 8.9135 8.9135 13.8958 13.8958 14.4932 14.4932 14.8068 14.8068 14.9950 14.9950 k = 0.0000 0.0000 0.5897 ( 1368 PWs) bands (ev): -31.4935 -31.4935 -15.6036 -15.6036 -12.8402 -12.8402 -12.4976 -12.4976 -12.4349 -12.4349 -5.2642 -5.2642 1.3004 1.3004 2.1764 2.1764 2.9929 2.9929 6.2320 6.2320 8.9272 8.9272 13.9064 13.9064 14.5215 14.5215 14.8661 14.8661 14.9946 14.9946 k = 0.0000 0.0000 0.6020 ( 1364 PWs) bands (ev): -31.4926 -31.4926 -15.5956 -15.5956 -12.8476 -12.8476 -12.5069 -12.5069 -12.4390 -12.4390 -5.2653 -5.2653 1.3251 1.3251 2.1712 2.1712 2.9907 2.9907 6.2127 6.2127 8.9394 8.9394 13.9151 13.9151 14.5506 14.5506 14.9223 14.9223 14.9943 14.9943 k = 0.0000 0.0000 0.6143 ( 1364 PWs) bands (ev): -31.4918 -31.4918 -15.5877 -15.5877 -12.8550 -12.8550 -12.5159 -12.5159 -12.4427 -12.4427 -5.2663 -5.2663 1.3492 1.3492 2.1664 2.1664 2.9888 2.9888 6.1946 6.1946 8.9500 8.9500 13.9219 13.9219 14.5801 14.5801 14.9748 14.9748 14.9946 14.9946 k = 0.0000 0.0000 0.6266 ( 1364 PWs) bands (ev): -31.4910 -31.4910 -15.5800 -15.5800 -12.8623 -12.8623 -12.5246 -12.5246 -12.4460 -12.4460 -5.2673 -5.2673 1.3726 1.3726 2.1617 2.1617 2.9871 2.9871 6.1777 6.1777 8.9592 8.9592 13.9269 13.9269 14.6096 14.6096 14.9931 14.9931 15.0259 15.0259 k = 0.0000 0.0000 0.6389 ( 1364 PWs) bands (ev): -31.4903 -31.4903 -15.5726 -15.5726 -12.8695 -12.8695 -12.5329 -12.5329 -12.4489 -12.4489 -5.2681 -5.2681 1.3950 1.3950 2.1573 2.1573 2.9855 2.9855 6.1620 6.1620 8.9671 8.9671 13.9303 13.9303 14.6388 14.6388 14.9933 14.9933 15.0719 15.0719 k = 0.0000 0.0000 0.6511 ( 1364 PWs) bands (ev): -31.4896 -31.4896 -15.5655 -15.5655 -12.8765 -12.8765 -12.5406 -12.5406 -12.4515 -12.4515 -5.2688 -5.2688 1.4164 1.4164 2.1531 2.1531 2.9841 2.9841 6.1477 6.1477 8.9740 8.9740 13.9324 13.9324 14.6671 14.6671 14.9933 14.9933 15.1144 15.1144 k = 0.0000 0.0000 0.6634 ( 1360 PWs) bands (ev): -31.4890 -31.4890 -15.5589 -15.5589 -12.8831 -12.8831 -12.5476 -12.5476 -12.4538 -12.4538 -5.2694 -5.2694 1.4365 1.4365 2.1491 2.1491 2.9829 2.9829 6.1346 6.1346 8.9798 8.9798 13.9335 13.9335 14.6942 14.6942 14.9933 14.9933 15.1534 15.1534 k = 0.0000 0.0000 0.6757 ( 1360 PWs) bands (ev): -31.4885 -31.4885 -15.5527 -15.5527 -12.8893 -12.8893 -12.5541 -12.5541 -12.4558 -12.4558 -5.2700 -5.2700 1.4551 1.4551 2.1453 2.1453 2.9818 2.9818 6.1229 6.1229 8.9846 8.9846 13.9336 13.9336 14.7197 14.7197 14.9934 14.9934 15.1884 15.1884 k = 0.0000 0.0000 0.6880 ( 1360 PWs) bands (ev): -31.4880 -31.4880 -15.5471 -15.5471 -12.8951 -12.8951 -12.5598 -12.5598 -12.4576 -12.4576 -5.2705 -5.2705 1.4722 1.4722 2.1417 2.1417 2.9809 2.9809 6.1125 6.1125 8.9887 8.9887 13.9331 13.9331 14.7433 14.7433 14.9935 14.9935 15.2196 15.2196 k = 0.0000 0.0000 0.7003 ( 1356 PWs) bands (ev): -31.4876 -31.4876 -15.5421 -15.5421 -12.9002 -12.9002 -12.5647 -12.5647 -12.4591 -12.4591 -5.2709 -5.2709 1.4874 1.4874 2.1385 2.1385 2.9801 2.9801 6.1034 6.1034 8.9920 8.9920 13.9322 13.9322 14.7646 14.7646 14.9936 14.9936 15.2468 15.2468 k = 0.0000 0.0000 0.7126 ( 1352 PWs) bands (ev): -31.4872 -31.4872 -15.5377 -15.5377 -12.9048 -12.9048 -12.5690 -12.5690 -12.4604 -12.4604 -5.2712 -5.2712 1.5006 1.5006 2.1357 2.1357 2.9794 2.9794 6.0957 6.0957 8.9947 8.9947 13.9310 13.9310 14.7833 14.7833 14.9936 14.9936 15.2700 15.2700 k = 0.0000 0.0000 0.7249 ( 1352 PWs) bands (ev): -31.4870 -31.4870 -15.5341 -15.5341 -12.9086 -12.9086 -12.5724 -12.5724 -12.4614 -12.4614 -5.2714 -5.2714 1.5117 1.5117 2.1332 2.1332 2.9789 2.9789 6.0894 6.0894 8.9967 8.9967 13.9298 13.9298 14.7989 14.7989 14.9937 14.9937 15.2889 15.2889 k = 0.0000 0.0000 0.7371 ( 1352 PWs) bands (ev): -31.4867 -31.4867 -15.5313 -15.5313 -12.9116 -12.9116 -12.5751 -12.5751 -12.4622 -12.4622 -5.2716 -5.2716 1.5205 1.5205 2.1312 2.1312 2.9785 2.9785 6.0845 6.0845 8.9983 8.9983 13.9287 13.9287 14.8113 14.8113 14.9938 14.9938 15.3037 15.3037 k = 0.0000 0.0000 0.7494 ( 1348 PWs) bands (ev): -31.4866 -31.4866 -15.5292 -15.5292 -12.9138 -12.9138 -12.5770 -12.5770 -12.4628 -12.4628 -5.2718 -5.2718 1.5269 1.5269 2.1298 2.1298 2.9782 2.9782 6.0810 6.0810 8.9994 8.9994 13.9278 13.9278 14.8203 14.8203 14.9938 14.9938 15.3144 15.3144 k = 0.0000 0.0000 0.7617 ( 1348 PWs) bands (ev): -31.4865 -31.4865 -15.5279 -15.5279 -12.9151 -12.9151 -12.5782 -12.5782 -12.4631 -12.4631 -5.2719 -5.2719 1.5307 1.5307 2.1289 2.1289 2.9780 2.9780 6.0789 6.0789 9.0000 9.0000 13.9273 13.9273 14.8258 14.8258 14.9939 14.9939 15.3207 15.3207 k = 0.0000 0.0000 0.7740 ( 1338 PWs) bands (ev): -31.4864 -31.4864 -15.5275 -15.5275 -12.9155 -12.9155 -12.5785 -12.5785 -12.4632 -12.4632 -5.2719 -5.2719 1.5320 1.5320 2.1286 2.1286 2.9779 2.9779 6.0782 6.0782 9.0003 9.0003 13.9271 13.9271 14.8277 14.8277 14.9940 14.9940 15.3230 15.3230 k = 0.0000 0.0000 0.7740 ( 1338 PWs) bands (ev): -31.4864 -31.4864 -15.5275 -15.5275 -12.9155 -12.9155 -12.5785 -12.5785 -12.4632 -12.4632 -5.2719 -5.2719 1.5320 1.5320 2.1286 2.1286 2.9779 2.9779 6.0782 6.0782 9.0003 9.0003 13.9271 13.9271 14.8277 14.8277 14.9940 14.9940 15.3230 15.3230 k =-0.0078 0.0092 0.7740 ( 1342 PWs) bands (ev): -31.4864 -31.4864 -15.5278 -15.5278 -12.9153 -12.9153 -12.5782 -12.5782 -12.4632 -12.4632 -5.2722 -5.2722 1.5322 1.5322 2.1288 2.1288 2.9768 2.9768 6.0801 6.0801 9.0004 9.0004 13.9290 13.9290 14.8277 14.8277 14.9926 14.9926 15.3187 15.3187 k =-0.0156 0.0184 0.7740 ( 1348 PWs) bands (ev): -31.4865 -31.4865 -15.5288 -15.5288 -12.9147 -12.9147 -12.5772 -12.5772 -12.4633 -12.4633 -5.2729 -5.2729 1.5328 1.5328 2.1295 2.1295 2.9734 2.9734 6.0859 6.0859 9.0008 9.0008 13.9345 13.9345 14.8276 14.8276 14.9885 14.9885 15.3059 15.3059 k =-0.0234 0.0276 0.7740 ( 1348 PWs) bands (ev): -31.4865 -31.4865 -15.5303 -15.5303 -12.9137 -12.9137 -12.5755 -12.5755 -12.4632 -12.4632 -5.2742 -5.2742 1.5339 1.5339 2.1307 2.1307 2.9678 2.9678 6.0956 6.0956 9.0014 9.0014 13.9437 13.9437 14.8276 14.8276 14.9819 14.9819 15.2849 15.2849 k =-0.0311 0.0368 0.7740 ( 1348 PWs) bands (ev): -31.4866 -31.4866 -15.5324 -15.5324 -12.9122 -12.9122 -12.5732 -12.5732 -12.4631 -12.4631 -5.2760 -5.2760 1.5353 1.5353 2.1324 2.1324 2.9600 2.9600 6.1091 6.1091 9.0022 9.0022 13.9565 13.9565 14.8275 14.8275 14.9726 14.9726 15.2559 15.2559 k =-0.0389 0.0460 0.7740 ( 1348 PWs) bands (ev): -31.4867 -31.4867 -15.5351 -15.5351 -12.9104 -12.9104 -12.5703 -12.5703 -12.4629 -12.4629 -5.2783 -5.2783 1.5372 1.5372 2.1346 2.1346 2.9501 2.9501 6.1265 6.1265 9.0033 9.0033 13.9725 13.9725 14.8275 14.8275 14.9608 14.9608 15.2194 15.2194 k =-0.0467 0.0552 0.7740 ( 1348 PWs) bands (ev): -31.4869 -31.4869 -15.5383 -15.5383 -12.9082 -12.9082 -12.5669 -12.5669 -12.4626 -12.4626 -5.2810 -5.2810 1.5394 1.5394 2.1372 2.1372 2.9382 2.9382 6.1475 6.1475 9.0046 9.0046 13.9916 13.9916 14.8274 14.8274 14.9465 14.9465 15.1758 15.1758 k =-0.0545 0.0644 0.7740 ( 1348 PWs) bands (ev): -31.4870 -31.4870 -15.5420 -15.5420 -12.9057 -12.9057 -12.5631 -12.5631 -12.4620 -12.4620 -5.2843 -5.2843 1.5421 1.5421 2.1403 2.1403 2.9246 2.9246 6.1724 6.1724 9.0062 9.0062 14.0135 14.0135 14.8274 14.8274 14.9299 14.9299 15.1256 15.1256 k =-0.0623 0.0736 0.7740 ( 1350 PWs) bands (ev): -31.4872 -31.4872 -15.5461 -15.5461 -12.9029 -12.9029 -12.5590 -12.5590 -12.4612 -12.4612 -5.2879 -5.2879 1.5451 1.5451 2.1439 2.1439 2.9092 2.9092 6.2008 6.2008 9.0079 9.0079 14.0379 14.0379 14.8274 14.8274 14.9109 14.9109 15.0693 15.0693 k =-0.0701 0.0828 0.7740 ( 1350 PWs) bands (ev): -31.4874 -31.4874 -15.5507 -15.5507 -12.9000 -12.9000 -12.5547 -12.5547 -12.4599 -12.4599 -5.2920 -5.2920 1.5485 1.5485 2.1480 2.1480 2.8922 2.8922 6.2329 6.2329 9.0099 9.0099 14.0645 14.0645 14.8273 14.8273 14.8897 14.8897 15.0075 15.0075 k =-0.0778 0.0920 0.7740 ( 1346 PWs) bands (ev): -31.4876 -31.4876 -15.5556 -15.5556 -12.8968 -12.8968 -12.5505 -12.5505 -12.4581 -12.4581 -5.2965 -5.2965 1.5523 1.5523 2.1526 2.1526 2.8739 2.8739 6.2686 6.2686 9.0121 9.0121 14.0929 14.0929 14.8273 14.8273 14.8664 14.8664 14.9406 14.9406 k =-0.0856 0.1012 0.7740 ( 1350 PWs) bands (ev): -31.4879 -31.4879 -15.5608 -15.5608 -12.8935 -12.8935 -12.5464 -12.5464 -12.4557 -12.4557 -5.3014 -5.3014 1.5565 1.5565 2.1577 2.1577 2.8545 2.8545 6.3076 6.3076 9.0145 9.0145 14.1225 14.1225 14.8269 14.8269 14.8409 14.8409 14.8695 14.8695 k =-0.0934 0.1104 0.7740 ( 1346 PWs) bands (ev): -31.4882 -31.4882 -15.5662 -15.5662 -12.8900 -12.8900 -12.5427 -12.5427 -12.4524 -12.4524 -5.3067 -5.3067 1.5611 1.5611 2.1632 2.1632 2.8340 2.8340 6.3500 6.3500 9.0171 9.0171 14.1531 14.1531 14.7912 14.7912 14.8146 14.8146 14.8288 14.8288 k =-0.1012 0.1196 0.7740 ( 1346 PWs) bands (ev): -31.4885 -31.4885 -15.5719 -15.5719 -12.8866 -12.8866 -12.5396 -12.5396 -12.4482 -12.4482 -5.3122 -5.3122 1.5660 1.5660 2.1693 2.1693 2.8128 2.8128 6.3957 6.3957 9.0198 9.0198 14.1840 14.1840 14.7121 14.7121 14.7860 14.7860 14.8283 14.8283 k =-0.1090 0.1288 0.7740 ( 1342 PWs) bands (ev): -31.4888 -31.4888 -15.5776 -15.5776 -12.8831 -12.8831 -12.5370 -12.5370 -12.4431 -12.4431 -5.3181 -5.3181 1.5713 1.5713 2.1759 2.1759 2.7910 2.7910 6.4446 6.4446 9.0228 9.0228 14.2148 14.2148 14.6289 14.6289 14.7559 14.7559 14.8284 14.8284 k =-0.1168 0.1380 0.7740 ( 1346 PWs) bands (ev): -31.4891 -31.4891 -15.5834 -15.5834 -12.8797 -12.8797 -12.5352 -12.5352 -12.4371 -12.4371 -5.3242 -5.3242 1.5769 1.5769 2.1829 2.1829 2.7688 2.7688 6.4964 6.4964 9.0259 9.0259 14.2451 14.2451 14.5422 14.5422 14.7244 14.7244 14.8287 14.8287 k =-0.1246 0.1472 0.7740 ( 1350 PWs) bands (ev): -31.4895 -31.4895 -15.5892 -15.5892 -12.8763 -12.8763 -12.5340 -12.5340 -12.4303 -12.4303 -5.3306 -5.3306 1.5829 1.5829 2.1904 2.1904 2.7465 2.7465 6.5512 6.5512 9.0291 9.0291 14.2742 14.2742 14.4528 14.4528 14.6918 14.6918 14.8289 14.8289 k =-0.1323 0.1564 0.7740 ( 1358 PWs) bands (ev): -31.4899 -31.4899 -15.5950 -15.5950 -12.8730 -12.8730 -12.5334 -12.5334 -12.4228 -12.4228 -5.3373 -5.3373 1.5893 1.5893 2.1985 2.1985 2.7241 2.7241 6.6088 6.6088 9.0325 9.0325 14.3014 14.3014 14.3611 14.3611 14.6580 14.6580 14.8295 14.8295 k =-0.1401 0.1656 0.7740 ( 1354 PWs) bands (ev): -31.4903 -31.4903 -15.6006 -15.6006 -12.8698 -12.8698 -12.5333 -12.5333 -12.4147 -12.4147 -5.3440 -5.3440 1.5960 1.5960 2.2070 2.2070 2.7021 2.7021 6.6690 6.6690 9.0361 9.0361 14.2653 14.2653 14.3288 14.3288 14.6237 14.6237 14.8302 14.8302 k =-0.1479 0.1748 0.7740 ( 1356 PWs) bands (ev): -31.4907 -31.4907 -15.6061 -15.6061 -12.8668 -12.8668 -12.5336 -12.5336 -12.4062 -12.4062 -5.3510 -5.3510 1.6031 1.6031 2.2161 2.2161 2.6804 2.6804 6.7318 6.7318 9.0398 9.0398 14.1692 14.1692 14.3519 14.3519 14.5887 14.5887 14.8310 14.8310 k =-0.1557 0.1840 0.7740 ( 1356 PWs) bands (ev): -31.4911 -31.4911 -15.6113 -15.6113 -12.8639 -12.8639 -12.5342 -12.5342 -12.3975 -12.3975 -5.3581 -5.3581 1.6106 1.6106 2.2256 2.2256 2.6593 2.6593 6.7969 6.7969 9.0435 9.0435 14.0709 14.0709 14.3729 14.3729 14.5534 14.5534 14.8319 14.8319 k =-0.1635 0.1932 0.7740 ( 1360 PWs) bands (ev): -31.4916 -31.4916 -15.6163 -15.6163 -12.8613 -12.8613 -12.5351 -12.5351 -12.3888 -12.3888 -5.3652 -5.3652 1.6184 1.6184 2.2356 2.2356 2.6390 2.6390 6.8643 6.8643 9.0474 9.0474 13.9709 13.9709 14.3911 14.3911 14.5177 14.5177 14.8330 14.8330 k =-0.1713 0.2024 0.7740 ( 1360 PWs) bands (ev): -31.4921 -31.4921 -15.6210 -15.6210 -12.8588 -12.8588 -12.5362 -12.5362 -12.3801 -12.3801 -5.3725 -5.3725 1.6266 1.6266 2.2461 2.2461 2.6196 2.6196 6.9336 6.9336 9.0514 9.0514 13.8694 13.8694 14.4063 14.4063 14.4821 14.4821 14.8342 14.8342 k =-0.1790 0.2116 0.7740 ( 1364 PWs) bands (ev): -31.4926 -31.4926 -15.6253 -15.6253 -12.8567 -12.8567 -12.5374 -12.5374 -12.3716 -12.3716 -5.3797 -5.3797 1.6353 1.6353 2.2571 2.2571 2.6012 2.6012 7.0049 7.0049 9.0554 9.0554 13.7667 13.7667 14.4182 14.4182 14.4468 14.4468 14.8356 14.8356 k =-0.1790 0.2116 0.7740 ( 1364 PWs) bands (ev): -31.4926 -31.4926 -15.6253 -15.6253 -12.8567 -12.8567 -12.5374 -12.5374 -12.3716 -12.3716 -5.3797 -5.3797 1.6353 1.6353 2.2571 2.2571 2.6012 2.6012 7.0049 7.0049 9.0554 9.0554 13.7667 13.7667 14.4182 14.4182 14.4468 14.4468 14.8356 14.8356 k =-0.1846 0.2181 0.7654 ( 1366 PWs) bands (ev): -31.4929 -31.4929 -15.6283 -15.6283 -12.8552 -12.8552 -12.5381 -12.5381 -12.3657 -12.3657 -5.3849 -5.3849 1.6411 1.6411 2.2651 2.2651 2.5889 2.5889 7.0568 7.0568 9.0580 9.0580 13.6933 13.6933 14.4202 14.4202 14.4268 14.4268 14.8360 14.8360 k =-0.1901 0.2246 0.7569 ( 1366 PWs) bands (ev): -31.4933 -31.4933 -15.6315 -15.6315 -12.8534 -12.8534 -12.5384 -12.5384 -12.3598 -12.3598 -5.3900 -5.3900 1.6459 1.6459 2.2732 2.2732 2.5774 2.5774 7.1100 7.1100 9.0603 9.0603 13.6200 13.6200 14.3950 14.3950 14.4338 14.4338 14.8352 14.8352 k =-0.1956 0.2312 0.7483 ( 1369 PWs) bands (ev): -31.4937 -31.4937 -15.6348 -15.6348 -12.8515 -12.8515 -12.5385 -12.5385 -12.3541 -12.3541 -5.3950 -5.3950 1.6497 1.6497 2.2813 2.2813 2.5668 2.5668 7.1643 7.1643 9.0622 9.0622 13.5470 13.5470 14.3685 14.3685 14.4419 14.4420 14.8332 14.8332 k =-0.2012 0.2377 0.7397 ( 1369 PWs) bands (ev): -31.4942 -31.4942 -15.6382 -15.6382 -12.8495 -12.8495 -12.5382 -12.5382 -12.3485 -12.3485 -5.4000 -5.4000 1.6527 1.6527 2.2892 2.2892 2.5571 2.5571 7.2195 7.2195 9.0636 9.0636 13.4747 13.4747 14.3416 14.3416 14.4507 14.4507 14.8298 14.8298 k =-0.2067 0.2443 0.7312 ( 1369 PWs) bands (ev): -31.4946 -31.4946 -15.6416 -15.6416 -12.8473 -12.8473 -12.5375 -12.5375 -12.3431 -12.3431 -5.4048 -5.4048 1.6548 1.6548 2.2969 2.2969 2.5484 2.5484 7.2757 7.2757 9.0644 9.0644 13.4034 13.4034 14.3142 14.3142 14.4602 14.4602 14.8252 14.8252 k =-0.2123 0.2508 0.7226 ( 1363 PWs) bands (ev): -31.4950 -31.4950 -15.6452 -15.6452 -12.8451 -12.8451 -12.5363 -12.5363 -12.3379 -12.3379 -5.4096 -5.4096 1.6561 1.6561 2.3041 2.3041 2.5409 2.5409 7.3326 7.3326 9.0647 9.0647 13.3334 13.3334 14.2865 14.2865 14.4705 14.4705 14.8194 14.8194 k =-0.2178 0.2573 0.7140 ( 1365 PWs) bands (ev): -31.4955 -31.4955 -15.6488 -15.6488 -12.8428 -12.8428 -12.5348 -12.5348 -12.3331 -12.3331 -5.4143 -5.4143 1.6566 1.6566 2.3109 2.3109 2.5346 2.5346 7.3901 7.3901 9.0643 9.0643 13.2646 13.2646 14.2585 14.2585 14.4818 14.4818 14.8125 14.8125 k =-0.2233 0.2639 0.7055 ( 1365 PWs) bands (ev): -31.4960 -31.4960 -15.6524 -15.6524 -12.8406 -12.8406 -12.5329 -12.5329 -12.3285 -12.3285 -5.4188 -5.4188 1.6564 1.6564 2.3170 2.3170 2.5295 2.5295 7.4481 7.4481 9.0633 9.0633 13.1977 13.1977 14.2304 14.2304 14.4941 14.4941 14.8045 14.8045 k =-0.2289 0.2704 0.6969 ( 1363 PWs) bands (ev): -31.4964 -31.4964 -15.6560 -15.6560 -12.8384 -12.8384 -12.5306 -12.5306 -12.3242 -12.3242 -5.4232 -5.4232 1.6556 1.6556 2.3223 2.3223 2.5257 2.5257 7.5064 7.5064 9.0614 9.0614 13.1327 13.1327 14.2022 14.2022 14.5076 14.5076 14.7956 14.7956 k =-0.2344 0.2770 0.6883 ( 1365 PWs) bands (ev): -31.4969 -31.4969 -15.6596 -15.6596 -12.8362 -12.8362 -12.5280 -12.5280 -12.3203 -12.3203 -5.4274 -5.4274 1.6543 1.6543 2.3268 2.3268 2.5232 2.5232 7.5648 7.5648 9.0588 9.0588 13.0697 13.0697 14.1740 14.1740 14.5223 14.5223 14.7858 14.7858 k =-0.2399 0.2835 0.6798 ( 1365 PWs) bands (ev): -31.4974 -31.4974 -15.6632 -15.6632 -12.8342 -12.8342 -12.5249 -12.5249 -12.3167 -12.3167 -5.4315 -5.4315 1.6525 1.6525 2.3305 2.3305 2.5220 2.5220 7.6232 7.6232 9.0553 9.0553 13.0089 13.0089 14.1459 14.1459 14.5383 14.5383 14.7754 14.7754 k =-0.2455 0.2900 0.6712 ( 1369 PWs) bands (ev): -31.4978 -31.4978 -15.6667 -15.6667 -12.8322 -12.8322 -12.5215 -12.5215 -12.3135 -12.3135 -5.4354 -5.4354 1.6503 1.6503 2.3332 2.3332 2.5220 2.5220 7.6815 7.6815 9.0509 9.0509 12.9505 12.9505 14.1180 14.1180 14.5556 14.5556 14.7644 14.7644 k =-0.2510 0.2966 0.6626 ( 1367 PWs) bands (ev): -31.4983 -31.4983 -15.6701 -15.6701 -12.8304 -12.8304 -12.5177 -12.5177 -12.3107 -12.3107 -5.4392 -5.4392 1.6477 1.6477 2.3352 2.3352 2.5230 2.5230 7.7393 7.7393 9.0456 9.0456 12.8948 12.8948 14.0905 14.0905 14.5744 14.5744 14.7532 14.7532 k =-0.2565 0.3031 0.6541 ( 1367 PWs) bands (ev): -31.4987 -31.4987 -15.6735 -15.6735 -12.8286 -12.8286 -12.5137 -12.5137 -12.3082 -12.3082 -5.4428 -5.4428 1.6449 1.6449 2.3364 2.3364 2.5251 2.5251 7.7966 7.7966 9.0392 9.0392 12.8417 12.8417 14.0634 14.0634 14.5944 14.5944 14.7417 14.7417 k =-0.2621 0.3097 0.6455 ( 1369 PWs) bands (ev): -31.4991 -31.4991 -15.6767 -15.6767 -12.8271 -12.8271 -12.5094 -12.5094 -12.3061 -12.3061 -5.4461 -5.4461 1.6419 1.6419 2.3371 2.3371 2.5278 2.5278 7.8530 7.8530 9.0318 9.0318 12.7914 12.7914 14.0370 14.0370 14.6159 14.6159 14.7302 14.7302 k =-0.2676 0.3162 0.6369 ( 1371 PWs) bands (ev): -31.4995 -31.4995 -15.6798 -15.6798 -12.8257 -12.8257 -12.5050 -12.5050 -12.3044 -12.3044 -5.4493 -5.4493 1.6387 1.6387 2.3372 2.3372 2.5312 2.5312 7.9085 7.9085 9.0234 9.0234 12.7442 12.7442 14.0112 14.0112 14.6386 14.6386 14.7189 14.7189 k =-0.2731 0.3227 0.6284 ( 1371 PWs) bands (ev): -31.4999 -31.4999 -15.6827 -15.6827 -12.8244 -12.8244 -12.5003 -12.5003 -12.3030 -12.3030 -5.4523 -5.4523 1.6355 1.6355 2.3369 2.3369 2.5350 2.5350 7.9627 7.9627 9.0140 9.0140 12.7000 12.7000 13.9866 13.9866 14.6623 14.6623 14.7081 14.7081 k =-0.2787 0.3293 0.6198 ( 1369 PWs) bands (ev): -31.5003 -31.5003 -15.6855 -15.6855 -12.8232 -12.8232 -12.4957 -12.4957 -12.3020 -12.3020 -5.4551 -5.4551 1.6323 1.6323 2.3363 2.3363 2.5390 2.5390 8.0154 8.0154 9.0035 9.0035 12.6589 12.6589 13.9630 13.9630 14.6850 14.6850 14.7002 14.7002 k =-0.2842 0.3358 0.6112 ( 1365 PWs) bands (ev): -31.5006 -31.5006 -15.6880 -15.6880 -12.8221 -12.8221 -12.4910 -12.4910 -12.3012 -12.3012 -5.4576 -5.4576 1.6292 1.6292 2.3355 2.3355 2.5431 2.5431 8.0664 8.0664 8.9920 8.9920 12.6212 12.6212 13.9406 13.9406 14.6847 14.6847 14.7167 14.7167 k =-0.2897 0.3423 0.6027 ( 1364 PWs) bands (ev): -31.5009 -31.5009 -15.6904 -15.6904 -12.8213 -12.8213 -12.4864 -12.4864 -12.3007 -12.3007 -5.4599 -5.4599 1.6262 1.6262 2.3347 2.3347 2.5472 2.5472 8.1151 8.1151 8.9797 8.9797 12.5868 12.5868 13.9197 13.9197 14.6759 14.6759 14.7435 14.7435 k =-0.2953 0.3489 0.5941 ( 1366 PWs) bands (ev): -31.5012 -31.5012 -15.6925 -15.6925 -12.8205 -12.8205 -12.4820 -12.4820 -12.3005 -12.3005 -5.4620 -5.4620 1.6234 1.6234 2.3338 2.3338 2.5511 2.5511 8.1614 8.1614 8.9667 8.9667 12.5558 12.5558 13.9005 13.9005 14.6672 14.6672 14.7715 14.7715 k =-0.3008 0.3554 0.5855 ( 1366 PWs) bands (ev): -31.5015 -31.5015 -15.6945 -15.6945 -12.8199 -12.8199 -12.4778 -12.4778 -12.3005 -12.3005 -5.4639 -5.4639 1.6208 1.6208 2.3329 2.3329 2.5547 2.5547 8.2047 8.2047 8.9533 8.9533 12.5283 12.5283 13.8830 13.8830 14.6592 14.6592 14.8003 14.8003 k =-0.3063 0.3620 0.5770 ( 1365 PWs) bands (ev): -31.5017 -31.5017 -15.6962 -15.6962 -12.8193 -12.8193 -12.4739 -12.4739 -12.3006 -12.3006 -5.4655 -5.4655 1.6184 1.6184 2.3320 2.3320 2.5580 2.5580 8.2445 8.2445 8.9397 8.9397 12.5043 12.5043 13.8676 13.8676 14.6521 14.6521 14.8293 14.8293 k =-0.3119 0.3685 0.5684 ( 1365 PWs) bands (ev): -31.5019 -31.5019 -15.6976 -15.6976 -12.8189 -12.8189 -12.4705 -12.4705 -12.3008 -12.3008 -5.4668 -5.4668 1.6164 1.6164 2.3312 2.3312 2.5609 2.5609 8.2803 8.2803 8.9265 8.9265 12.4839 12.4839 13.8542 13.8542 14.6460 14.6460 14.8580 14.8580 k =-0.3174 0.3750 0.5598 ( 1371 PWs) bands (ev): -31.5020 -31.5020 -15.6988 -15.6988 -12.8186 -12.8186 -12.4676 -12.4676 -12.3011 -12.3011 -5.4680 -5.4680 1.6146 1.6146 2.3306 2.3306 2.5634 2.5634 8.3113 8.3113 8.9141 8.9141 12.4671 12.4671 13.8430 13.8430 14.6408 14.6408 14.8855 14.8855 k =-0.3229 0.3816 0.5513 ( 1369 PWs) bands (ev): -31.5022 -31.5022 -15.6998 -15.6998 -12.8183 -12.8183 -12.4652 -12.4652 -12.3014 -12.3014 -5.4689 -5.4689 1.6133 1.6133 2.3301 2.3301 2.5653 2.5653 8.3367 8.3367 8.9034 8.9034 12.4541 12.4541 13.8342 13.8342 14.6368 14.6368 14.9108 14.9108 k =-0.3285 0.3881 0.5427 ( 1363 PWs) bands (ev): -31.5023 -31.5023 -15.7004 -15.7004 -12.8181 -12.8181 -12.4634 -12.4634 -12.3016 -12.3016 -5.4695 -5.4695 1.6123 1.6123 2.3297 2.3297 2.5667 2.5667 8.3557 8.3557 8.8950 8.8950 12.4448 12.4448 13.8279 13.8279 14.6341 14.6341 14.9321 14.9321 k =-0.3340 0.3947 0.5341 ( 1361 PWs) bands (ev): -31.5023 -31.5023 -15.7008 -15.7008 -12.8179 -12.8179 -12.4624 -12.4624 -12.3017 -12.3017 -5.4699 -5.4699 1.6117 1.6117 2.3295 2.3295 2.5676 2.5676 8.3675 8.3675 8.8896 8.8896 12.4392 12.4392 13.8241 13.8241 14.6323 14.6323 14.9467 14.9467 k =-0.3395 0.4012 0.5256 ( 1365 PWs) bands (ev): -31.5023 -31.5023 -15.7010 -15.7010 -12.8179 -12.8179 -12.4620 -12.4620 -12.3018 -12.3018 -5.4700 -5.4700 1.6115 1.6115 2.3294 2.3294 2.5679 2.5679 8.3715 8.3715 8.8877 8.8877 12.4373 12.4373 13.8228 13.8228 14.6317 14.6317 14.9519 14.9519 k =-0.3395 0.4012 0.5256 ( 1365 PWs) bands (ev): -31.5023 -31.5023 -15.7010 -15.7010 -12.8179 -12.8179 -12.4620 -12.4620 -12.3018 -12.3018 -5.4700 -5.4700 1.6115 1.6115 2.3294 2.3294 2.5679 2.5679 8.3715 8.3715 8.8877 8.8877 12.4373 12.4373 13.8228 13.8228 14.6317 14.6317 14.9519 14.9519 k =-0.3340 0.3946 0.5170 ( 1361 PWs) bands (ev): -31.5021 -31.5021 -15.7095 -15.7095 -12.8117 -12.8117 -12.4575 -12.4575 -12.2962 -12.2962 -5.4647 -5.4647 1.5790 1.5790 2.3187 2.3187 2.5616 2.5616 8.3288 8.3288 8.8654 8.8654 12.5272 12.5272 13.8099 13.8099 14.6222 14.6222 15.0161 15.0161 k =-0.3284 0.3880 0.5083 ( 1359 PWs) bands (ev): -31.5019 -31.5019 -15.7177 -15.7177 -12.8054 -12.8054 -12.4529 -12.4529 -12.2908 -12.2908 -5.4593 -5.4593 1.5466 1.5466 2.3088 2.3088 2.5560 2.5560 8.2862 8.2862 8.8421 8.8421 12.6163 12.6163 13.7991 13.7991 14.6136 14.6136 15.0781 15.0781 k =-0.3228 0.3815 0.4997 ( 1359 PWs) bands (ev): -31.5018 -31.5018 -15.7256 -15.7256 -12.7992 -12.7992 -12.4485 -12.4485 -12.2855 -12.2855 -5.4537 -5.4537 1.5143 1.5143 2.2998 2.2998 2.5510 2.5510 8.2439 8.2439 8.8179 8.8179 12.7041 12.7041 13.7905 13.7905 14.6062 14.6062 15.1374 15.1374 k =-0.3173 0.3749 0.4911 ( 1359 PWs) bands (ev): -31.5017 -31.5017 -15.7333 -15.7333 -12.7931 -12.7931 -12.4440 -12.4440 -12.2804 -12.2804 -5.4479 -5.4479 1.4824 1.4824 2.2916 2.2916 2.5467 2.5467 8.2018 8.2018 8.7929 8.7929 12.7903 12.7903 13.7839 13.7839 14.5998 14.5998 15.1941 15.1941 k =-0.3117 0.3683 0.4825 ( 1363 PWs) bands (ev): -31.5017 -31.5017 -15.7405 -15.7405 -12.7870 -12.7870 -12.4396 -12.4396 -12.2756 -12.2756 -5.4419 -5.4419 1.4508 1.4508 2.2843 2.2843 2.5432 2.5432 8.1601 8.1601 8.7669 8.7669 12.8744 12.8744 13.7794 13.7794 14.5947 14.5947 15.2481 15.2481 k =-0.3061 0.3617 0.4739 ( 1363 PWs) bands (ev): -31.5017 -31.5017 -15.7474 -15.7474 -12.7809 -12.7809 -12.4353 -12.4353 -12.2710 -12.2710 -5.4358 -5.4358 1.4197 1.4197 2.2779 2.2779 2.5405 2.5405 8.1190 8.1190 8.7401 8.7401 12.9560 12.9560 13.7770 13.7770 14.5909 14.5909 15.2994 15.2994 k =-0.3006 0.3552 0.4653 ( 1371 PWs) bands (ev): -31.5017 -31.5017 -15.7539 -15.7539 -12.7751 -12.7751 -12.4310 -12.4310 -12.2667 -12.2667 -5.4295 -5.4295 1.3892 1.3892 2.2723 2.2723 2.5386 2.5386 8.0784 8.0784 8.7125 8.7125 13.0345 13.0345 13.7765 13.7765 14.5882 14.5882 15.3481 15.3481 k =-0.2950 0.3486 0.4567 ( 1367 PWs) bands (ev): -31.5018 -31.5018 -15.7599 -15.7599 -12.7692 -12.7692 -12.4268 -12.4268 -12.2625 -12.2625 -5.4230 -5.4230 1.3592 1.3592 2.2677 2.2677 2.5376 2.5376 8.0386 8.0386 8.6841 8.6841 13.1094 13.1094 13.7782 13.7782 14.5869 14.5869 15.3943 15.3943 k =-0.2894 0.3420 0.4480 ( 1371 PWs) bands (ev): -31.5020 -31.5020 -15.7656 -15.7656 -12.7635 -12.7635 -12.4226 -12.4226 -12.2588 -12.2588 -5.4164 -5.4164 1.3300 1.3300 2.2640 2.2640 2.5375 2.5375 7.9994 7.9994 8.6549 8.6549 13.1802 13.1802 13.7818 13.7818 14.5869 14.5869 15.4379 15.4380 k =-0.2839 0.3354 0.4394 ( 1371 PWs) bands (ev): -31.5022 -31.5022 -15.7707 -15.7707 -12.7580 -12.7580 -12.4185 -12.4185 -12.2553 -12.2553 -5.4097 -5.4097 1.3014 1.3014 2.2614 2.2614 2.5383 2.5383 7.9611 7.9611 8.6251 8.6251 13.2467 13.2467 13.7875 13.7875 14.5882 14.5882 15.4680 15.4680 k =-0.2783 0.3288 0.4308 ( 1371 PWs) bands (ev): -31.5024 -31.5024 -15.7754 -15.7754 -12.7525 -12.7525 -12.4144 -12.4144 -12.2521 -12.2521 -5.4028 -5.4028 1.2735 1.2735 2.2598 2.2598 2.5401 2.5401 7.9237 7.9237 8.5945 8.5945 13.3083 13.3083 13.7952 13.7952 14.5908 14.5908 15.4810 15.4810 k =-0.2727 0.3223 0.4222 ( 1367 PWs) bands (ev): -31.5027 -31.5027 -15.7795 -15.7795 -12.7472 -12.7472 -12.4104 -12.4104 -12.2492 -12.2492 -5.3958 -5.3958 1.2465 1.2465 2.2592 2.2592 2.5428 2.5428 7.8873 7.8873 8.5634 8.5634 13.3645 13.3645 13.8048 13.8048 14.5947 14.5947 15.4908 15.4908 k =-0.2672 0.3157 0.4136 ( 1363 PWs) bands (ev): -31.5031 -31.5031 -15.7832 -15.7832 -12.7421 -12.7421 -12.4065 -12.4065 -12.2467 -12.2467 -5.3886 -5.3886 1.2201 1.2201 2.2598 2.2598 2.5465 2.5465 7.8519 7.8519 8.5317 8.5317 13.4151 13.4151 13.8163 13.8163 14.5999 14.5999 15.4971 15.4971 k =-0.2616 0.3091 0.4050 ( 1363 PWs) bands (ev): -31.5035 -31.5035 -15.7863 -15.7863 -12.7372 -12.7372 -12.4026 -12.4026 -12.2445 -12.2445 -5.3813 -5.3813 1.1946 1.1946 2.2616 2.2616 2.5512 2.5512 7.8175 7.8175 8.4994 8.4994 13.4598 13.4598 13.8297 13.8297 14.6063 14.6063 15.4999 15.5000 k =-0.2560 0.3025 0.3963 ( 1363 PWs) bands (ev): -31.5040 -31.5040 -15.7889 -15.7889 -12.7325 -12.7325 -12.3988 -12.3988 -12.2427 -12.2427 -5.3740 -5.3740 1.1698 1.1698 2.2645 2.2645 2.5569 2.5569 7.7843 7.7843 8.4667 8.4667 13.4982 13.4982 13.8450 13.8450 14.6139 14.6139 15.4993 15.4993 k =-0.2505 0.2960 0.3877 ( 1363 PWs) bands (ev): -31.5045 -31.5045 -15.7910 -15.7910 -12.7280 -12.7280 -12.3951 -12.3951 -12.2413 -12.2413 -5.3665 -5.3665 1.1458 1.1458 2.2687 2.2687 2.5636 2.5636 7.7523 7.7523 8.4336 8.4336 13.5302 13.5302 13.8620 13.8620 14.6227 14.6227 15.4950 15.4950 k =-0.2449 0.2894 0.3791 ( 1363 PWs) bands (ev): -31.5050 -31.5050 -15.7926 -15.7926 -12.7237 -12.7237 -12.3915 -12.3915 -12.2402 -12.2402 -5.3590 -5.3590 1.1226 1.1226 2.2742 2.2742 2.5713 2.5713 7.7215 7.7215 8.4002 8.4002 13.5557 13.5557 13.8808 13.8808 14.6327 14.6327 15.4871 15.4871 k =-0.2393 0.2828 0.3705 ( 1357 PWs) bands (ev): -31.5057 -31.5057 -15.7936 -15.7936 -12.7196 -12.7196 -12.3879 -12.3879 -12.2394 -12.2394 -5.3513 -5.3513 1.1001 1.1001 2.2810 2.2810 2.5800 2.5800 7.6920 7.6920 8.3664 8.3664 13.5747 13.5747 13.9016 13.9016 14.6439 14.6439 15.4757 15.4757 k =-0.2338 0.2762 0.3619 ( 1357 PWs) bands (ev): -31.5063 -31.5063 -15.7941 -15.7941 -12.7157 -12.7157 -12.3845 -12.3845 -12.2391 -12.2391 -5.3436 -5.3436 1.0783 1.0783 2.2892 2.2892 2.5897 2.5897 7.6637 7.6637 8.3324 8.3324 13.5870 13.5870 13.9238 13.9238 14.6560 14.6560 15.4606 15.4607 k =-0.2282 0.2697 0.3533 ( 1357 PWs) bands (ev): -31.5071 -31.5071 -15.7941 -15.7941 -12.7121 -12.7121 -12.3811 -12.3811 -12.2391 -12.2391 -5.3359 -5.3359 1.0573 1.0573 2.2988 2.2988 2.6003 2.6003 7.6368 7.6368 8.2983 8.2983 13.5928 13.5928 13.9477 13.9477 14.6692 14.6692 15.4421 15.4421 k =-0.2226 0.2631 0.3446 ( 1353 PWs) bands (ev): -31.5078 -31.5078 -15.7936 -15.7936 -12.7087 -12.7087 -12.3778 -12.3778 -12.2394 -12.2394 -5.3281 -5.3281 1.0369 1.0369 2.3098 2.3098 2.6119 2.6119 7.6113 7.6113 8.2640 8.2640 13.5923 13.5923 13.9732 13.9732 14.6834 14.6834 15.4198 15.4198 k =-0.2171 0.2565 0.3360 ( 1353 PWs) bands (ev): -31.5087 -31.5087 -15.7925 -15.7925 -12.7056 -12.7056 -12.3746 -12.3746 -12.2401 -12.2401 -5.3203 -5.3203 1.0172 1.0172 2.3223 2.3223 2.6245 2.6245 7.5871 7.5871 8.2297 8.2297 13.5855 13.5855 14.0002 14.0002 14.6985 14.6985 15.3430 15.3430 k =-0.2115 0.2499 0.3274 ( 1357 PWs) bands (ev): -31.5095 -31.5095 -15.7910 -15.7910 -12.7028 -12.7028 -12.3714 -12.3714 -12.2411 -12.2411 -5.3124 -5.3124 0.9981 0.9981 2.3362 2.3362 2.6380 2.6380 7.5642 7.5642 8.1955 8.1955 13.5727 13.5727 14.0286 14.0286 14.7144 14.7144 15.2078 15.2078 k =-0.2059 0.2433 0.3188 ( 1361 PWs) bands (ev): -31.5105 -31.5105 -15.7890 -15.7890 -12.7002 -12.7002 -12.3684 -12.3684 -12.2425 -12.2425 -5.3046 -5.3046 0.9797 0.9797 2.3515 2.3515 2.6523 2.6523 7.5427 7.5427 8.1612 8.1612 13.5541 13.5541 14.0585 14.0585 14.7311 14.7311 15.0716 15.0716 k =-0.2004 0.2368 0.3102 ( 1365 PWs) bands (ev): -31.5114 -31.5114 -15.7865 -15.7865 -12.6978 -12.6978 -12.3655 -12.3655 -12.2442 -12.2442 -5.2967 -5.2967 0.9618 0.9618 2.3684 2.3684 2.6675 2.6675 7.5226 7.5226 8.1272 8.1272 13.5301 13.5301 14.0899 14.0899 14.7485 14.7485 14.9358 14.9358 k =-0.1948 0.2302 0.3016 ( 1365 PWs) bands (ev): -31.5124 -31.5124 -15.7836 -15.7836 -12.6957 -12.6957 -12.3626 -12.3626 -12.2462 -12.2462 -5.2889 -5.2889 0.9444 0.9444 2.3867 2.3867 2.6834 2.6834 7.5039 7.5039 8.0933 8.0933 13.5010 13.5010 14.1226 14.1226 14.7664 14.7664 14.8009 14.8009 k =-0.1892 0.2236 0.2929 ( 1365 PWs) bands (ev): -31.5134 -31.5134 -15.7802 -15.7802 -12.6939 -12.6939 -12.3598 -12.3598 -12.2484 -12.2484 -5.2811 -5.2811 0.9276 0.9276 2.4064 2.4064 2.7002 2.7002 7.4865 7.4865 8.0597 8.0597 13.4671 13.4671 14.1566 14.1566 14.6667 14.6667 14.7853 14.7853 k =-0.1837 0.2170 0.2843 ( 1357 PWs) bands (ev): -31.5145 -31.5145 -15.7764 -15.7764 -12.6922 -12.6922 -12.3571 -12.3571 -12.2509 -12.2509 -5.2734 -5.2734 0.9114 0.9114 2.4276 2.4276 2.7177 2.7177 7.4705 7.4705 8.0264 8.0264 13.4288 13.4288 14.1919 14.1919 14.5342 14.5342 14.8046 14.8046 k =-0.1781 0.2105 0.2757 ( 1359 PWs) bands (ev): -31.5156 -31.5156 -15.7723 -15.7723 -12.6908 -12.6908 -12.3545 -12.3545 -12.2536 -12.2536 -5.2657 -5.2657 0.8956 0.8956 2.4502 2.4502 2.7359 2.7359 7.4559 7.4559 7.9935 7.9935 13.3864 13.3864 14.2281 14.2281 14.4032 14.4032 14.8242 14.8242 k =-0.1725 0.2039 0.2671 ( 1359 PWs) bands (ev): -31.5167 -31.5167 -15.7677 -15.7677 -12.6897 -12.6897 -12.3520 -12.3520 -12.2566 -12.2566 -5.2581 -5.2581 0.8803 0.8803 2.4741 2.4741 2.7546 2.7546 7.4425 7.4425 7.9610 7.9610 13.3403 13.3403 14.2645 14.2645 14.2751 14.2751 14.8442 14.8442 k =-0.1670 0.1973 0.2585 ( 1355 PWs) bands (ev): -31.5178 -31.5178 -15.7628 -15.7628 -12.6888 -12.6888 -12.3496 -12.3496 -12.2596 -12.2596 -5.2506 -5.2506 0.8654 0.8654 2.4993 2.4993 2.7739 2.7739 7.4304 7.4304 7.9290 7.9290 13.2909 13.2909 14.1467 14.1467 14.3040 14.3040 14.8644 14.8644 k =-0.1614 0.1907 0.2499 ( 1361 PWs) bands (ev): -31.5190 -31.5190 -15.7577 -15.7577 -12.6882 -12.6882 -12.3474 -12.3474 -12.2630 -12.2630 -5.2432 -5.2432 0.8510 0.8510 2.5256 2.5256 2.7937 2.7937 7.4196 7.4196 7.8975 7.8975 13.2387 13.2387 14.0215 14.0215 14.3432 14.3432 14.8849 14.8849 k =-0.1558 0.1842 0.2412 ( 1357 PWs) bands (ev): -31.5201 -31.5201 -15.7522 -15.7522 -12.6878 -12.6878 -12.3451 -12.3451 -12.2665 -12.2665 -5.2359 -5.2359 0.8371 0.8371 2.5532 2.5532 2.8140 2.8140 7.4100 7.4100 7.8666 7.8666 13.1840 13.1840 13.8984 13.8984 14.3834 14.3834 14.9052 14.9053 k =-0.1503 0.1776 0.2326 ( 1357 PWs) bands (ev): -31.5213 -31.5213 -15.7465 -15.7465 -12.6876 -12.6876 -12.3431 -12.3431 -12.2700 -12.2700 -5.2287 -5.2287 0.8236 0.8236 2.5818 2.5818 2.8346 2.8346 7.4016 7.4016 7.8364 7.8364 13.1272 13.1272 13.7777 13.7777 14.4242 14.4242 14.8977 14.8979 k =-0.1447 0.1710 0.2240 ( 1357 PWs) bands (ev): -31.5225 -31.5225 -15.7405 -15.7405 -12.6876 -12.6876 -12.3411 -12.3411 -12.2737 -12.2737 -5.2216 -5.2216 0.8105 0.8105 2.6114 2.6114 2.8554 2.8554 7.3943 7.3943 7.8068 7.8068 13.0688 13.0688 13.6594 13.6594 14.4656 14.4656 14.8470 14.8470 k =-0.1391 0.1644 0.2154 ( 1359 PWs) bands (ev): -31.5236 -31.5236 -15.7344 -15.7344 -12.6878 -12.6878 -12.3392 -12.3392 -12.2775 -12.2775 -5.2147 -5.2147 0.7978 0.7978 2.6418 2.6418 2.8765 2.8765 7.3880 7.3880 7.7780 7.7780 13.0092 13.0092 13.5436 13.5436 14.5075 14.5075 14.7955 14.7956 k =-0.1336 0.1578 0.2068 ( 1359 PWs) bands (ev): -31.5248 -31.5248 -15.7281 -15.7281 -12.6882 -12.6882 -12.3375 -12.3375 -12.2812 -12.2812 -5.2080 -5.2080 0.7855 0.7855 2.6729 2.6729 2.8978 2.8978 7.3828 7.3828 7.7500 7.7500 12.9487 12.9487 13.4305 13.4305 14.5499 14.5499 14.7438 14.7438 k =-0.1280 0.1513 0.1982 ( 1359 PWs) bands (ev): -31.5260 -31.5260 -15.7217 -15.7217 -12.6888 -12.6888 -12.3359 -12.3359 -12.2850 -12.2850 -5.2015 -5.2015 0.7737 0.7737 2.7047 2.7047 2.9191 2.9191 7.3786 7.3786 7.7227 7.7227 12.8878 12.8878 13.3202 13.3202 14.5925 14.5925 14.6922 14.6922 k =-0.1225 0.1447 0.1896 ( 1359 PWs) bands (ev): -31.5271 -31.5271 -15.7153 -15.7153 -12.6895 -12.6895 -12.3344 -12.3344 -12.2887 -12.2887 -5.1951 -5.1951 0.7623 0.7623 2.7369 2.7369 2.9403 2.9403 7.3752 7.3752 7.6964 7.6964 12.8268 12.8268 13.2129 13.2129 14.6341 14.6341 14.6421 14.6421 k =-0.1169 0.1381 0.1809 ( 1357 PWs) bands (ev): -31.5283 -31.5283 -15.7087 -15.7087 -12.6903 -12.6903 -12.3331 -12.3331 -12.2923 -12.2923 -5.1890 -5.1890 0.7513 0.7513 2.7695 2.7695 2.9615 2.9615 7.3727 7.3727 7.6710 7.6710 12.7659 12.7659 13.1086 13.1086 14.5897 14.5897 14.6786 14.6786 k =-0.1113 0.1315 0.1723 ( 1357 PWs) bands (ev): -31.5294 -31.5294 -15.7022 -15.7022 -12.6913 -12.6913 -12.3319 -12.3319 -12.2959 -12.2959 -5.1830 -5.1830 0.7408 0.7408 2.8022 2.8022 2.9825 2.9825 7.3709 7.3709 7.6465 7.6465 12.7058 12.7058 13.0075 13.0075 14.5396 14.5396 14.7214 14.7214 k =-0.1058 0.1250 0.1637 ( 1357 PWs) bands (ev): -31.5305 -31.5305 -15.6957 -15.6957 -12.6924 -12.6924 -12.3310 -12.3310 -12.2992 -12.2992 -5.1773 -5.1773 0.7307 0.7307 2.8350 2.8350 3.0032 3.0032 7.3699 7.3699 7.6230 7.6230 12.6467 12.6467 12.9097 12.9097 14.4904 14.4904 14.7640 14.7640 k =-0.1002 0.1184 0.1551 ( 1353 PWs) bands (ev): -31.5315 -31.5315 -15.6892 -15.6892 -12.6936 -12.6936 -12.3304 -12.3304 -12.3022 -12.3022 -5.1718 -5.1718 0.7211 0.7211 2.8676 2.8676 3.0235 3.0235 7.3695 7.3695 7.6004 7.6004 12.5889 12.5889 12.8155 12.8155 14.4423 14.4423 14.8063 14.8063 k =-0.0946 0.1118 0.1465 ( 1349 PWs) bands (ev): -31.5325 -31.5325 -15.6829 -15.6829 -12.6949 -12.6949 -12.3301 -12.3301 -12.3049 -12.3049 -5.1665 -5.1665 0.7119 0.7119 2.8998 2.8998 3.0434 3.0434 7.3696 7.3696 7.5790 7.5790 12.5326 12.5326 12.7248 12.7248 14.3956 14.3956 14.8481 14.8481 k =-0.0891 0.1052 0.1379 ( 1355 PWs) bands (ev): -31.5335 -31.5335 -15.6767 -15.6767 -12.6963 -12.6963 -12.3302 -12.3302 -12.3073 -12.3073 -5.1615 -5.1615 0.7031 0.7031 2.9316 2.9316 3.0627 3.0627 7.3702 7.3702 7.5586 7.5586 12.4782 12.4782 12.6380 12.6380 14.3503 14.3503 14.8891 14.8891 k =-0.0835 0.0987 0.1292 ( 1351 PWs) bands (ev): -31.5345 -31.5345 -15.6707 -15.6707 -12.6977 -12.6977 -12.3307 -12.3307 -12.3091 -12.3091 -5.1568 -5.1568 0.6949 0.6949 2.9626 2.9626 3.0814 3.0814 7.3712 7.3712 7.5393 7.5393 12.4260 12.4260 12.5552 12.5552 14.3069 14.3069 14.9292 14.9292 k =-0.0779 0.0921 0.1206 ( 1355 PWs) bands (ev): -31.5354 -31.5354 -15.6648 -15.6648 -12.6991 -12.6991 -12.3317 -12.3317 -12.3104 -12.3104 -5.1523 -5.1523 0.6871 0.6871 2.9928 2.9928 3.0994 3.0994 7.3726 7.3726 7.5212 7.5212 12.3759 12.3759 12.4766 12.4766 14.2653 14.2653 14.9682 14.9682 k =-0.0724 0.0855 0.1120 ( 1355 PWs) bands (ev): -31.5363 -31.5363 -15.6592 -15.6592 -12.7005 -12.7005 -12.3331 -12.3331 -12.3112 -12.3112 -5.1481 -5.1481 0.6798 0.6798 3.0218 3.0218 3.1166 3.1166 7.3742 7.3742 7.5042 7.5042 12.3285 12.3285 12.4024 12.4024 14.2258 14.2258 15.0060 15.0060 k =-0.0668 0.0789 0.1034 ( 1359 PWs) bands (ev): -31.5371 -31.5371 -15.6539 -15.6539 -12.7020 -12.7020 -12.3347 -12.3347 -12.3117 -12.3117 -5.1442 -5.1442 0.6730 0.6730 3.0496 3.0496 3.1330 3.1330 7.3759 7.3759 7.4885 7.4885 12.2835 12.2835 12.3328 12.3328 14.1886 14.1886 15.0422 15.0422 k =-0.0612 0.0723 0.0948 ( 1359 PWs) bands (ev): -31.5379 -31.5379 -15.6489 -15.6489 -12.7034 -12.7034 -12.3366 -12.3366 -12.3119 -12.3119 -5.1406 -5.1406 0.6667 0.6667 3.0759 3.0759 3.1485 3.1485 7.3778 7.3778 7.4739 7.4739 12.2413 12.2413 12.2683 12.2683 14.1537 14.1537 15.0768 15.0768 k =-0.0557 0.0658 0.0862 ( 1361 PWs) bands (ev): -31.5386 -31.5386 -15.6442 -15.6442 -12.7047 -12.7047 -12.3385 -12.3385 -12.3118 -12.3118 -5.1372 -5.1372 0.6609 0.6609 3.1005 3.1005 3.1630 3.1630 7.3797 7.3797 7.4607 7.4607 12.1998 12.1998 12.2112 12.2112 14.1214 14.1214 15.1094 15.1094 k =-0.0501 0.0592 0.0775 ( 1353 PWs) bands (ev): -31.5392 -31.5392 -15.6398 -15.6398 -12.7059 -12.7059 -12.3402 -12.3402 -12.3116 -12.3116 -5.1342 -5.1342 0.6557 0.6557 3.1232 3.1232 3.1766 3.1766 7.3815 7.3815 7.4487 7.4487 12.1505 12.1505 12.1703 12.1703 14.0918 14.0918 15.1398 15.1398 k =-0.0445 0.0526 0.0689 ( 1349 PWs) bands (ev): -31.5398 -31.5398 -15.6358 -15.6358 -12.7071 -12.7071 -12.3420 -12.3420 -12.3114 -12.3114 -5.1315 -5.1315 0.6510 0.6510 3.1439 3.1439 3.1891 3.1891 7.3833 7.3833 7.4381 7.4381 12.1015 12.1015 12.1376 12.1376 14.0650 14.0650 15.1678 15.1678 k =-0.0390 0.0460 0.0603 ( 1347 PWs) bands (ev): -31.5403 -31.5403 -15.6323 -15.6323 -12.7081 -12.7081 -12.3436 -12.3436 -12.3112 -12.3112 -5.1291 -5.1291 0.6468 0.6468 3.1622 3.1622 3.2005 3.2005 7.3847 7.3847 7.4289 7.4289 12.0574 12.0574 12.1089 12.1089 14.0410 14.0410 15.1931 15.1932 k =-0.0334 0.0395 0.0517 ( 1343 PWs) bands (ev): -31.5408 -31.5408 -15.6291 -15.6291 -12.7091 -12.7091 -12.3450 -12.3450 -12.3109 -12.3109 -5.1270 -5.1270 0.6432 0.6432 3.1781 3.1781 3.2109 3.2109 7.3858 7.3858 7.4211 7.4211 12.0188 12.0188 12.0840 12.0840 14.0201 14.0201 15.2155 15.2155 k =-0.0278 0.0329 0.0431 ( 1341 PWs) bands (ev): -31.5411 -31.5411 -15.6265 -15.6265 -12.7099 -12.7099 -12.3462 -12.3462 -12.3107 -12.3107 -5.1252 -5.1252 0.6401 0.6401 3.1913 3.1913 3.2202 3.2202 7.3864 7.3864 7.4150 7.4150 11.9858 11.9858 12.0628 12.0628 14.0022 14.0022 15.2346 15.2346 k =-0.0223 0.0263 0.0345 ( 1337 PWs) bands (ev): -31.5415 -31.5415 -15.6243 -15.6243 -12.7106 -12.7106 -12.3473 -12.3473 -12.3105 -12.3105 -5.1237 -5.1237 0.6376 0.6376 3.2018 3.2018 3.2283 3.2283 7.3865 7.3865 7.4104 7.4104 11.9586 11.9586 12.0454 12.0454 13.9875 13.9875 15.2501 15.2505 k =-0.0167 0.0197 0.0258 ( 1341 PWs) bands (ev): -31.5417 -31.5417 -15.6225 -15.6225 -12.7112 -12.7112 -12.3481 -12.3481 -12.3104 -12.3104 -5.1226 -5.1226 0.6356 0.6356 3.2098 3.2098 3.2350 3.2350 7.3860 7.3860 7.4074 7.4074 11.9374 11.9374 12.0317 12.0317 13.9759 13.9759 15.2615 15.2618 k =-0.0111 0.0132 0.0172 ( 1341 PWs) bands (ev): -31.5419 -31.5419 -15.6213 -15.6213 -12.7116 -12.7116 -12.3487 -12.3487 -12.3103 -12.3103 -5.1217 -5.1217 0.6342 0.6342 3.2153 3.2153 3.2401 3.2401 7.3853 7.3853 7.4056 7.4056 11.9221 11.9221 12.0220 12.0220 13.9677 13.9677 15.2690 15.2696 k =-0.0056 0.0066 0.0086 ( 1341 PWs) bands (ev): -31.5420 -31.5420 -15.6205 -15.6205 -12.7118 -12.7118 -12.3491 -12.3491 -12.3102 -12.3102 -5.1213 -5.1213 0.6334 0.6334 3.2185 3.2185 3.2432 3.2432 7.3847 7.3847 7.4047 7.4047 11.9130 11.9130 12.0161 12.0161 13.9627 13.9627 15.2731 15.2736 k = 0.0000 0.0000 0.0000 ( 1325 PWs) bands (ev): -31.5420 -31.5420 -15.6203 -15.6203 -12.7117 -12.7117 -12.3490 -12.3490 -12.3101 -12.3101 -5.1211 -5.1211 0.6331 0.6331 3.2196 3.2196 3.2443 3.2443 7.3845 7.3845 7.4046 7.4046 11.9100 11.9100 12.0143 12.0143 13.9613 13.9613 15.2744 15.2745 k = 0.0000 0.0000 0.0000 ( 1325 PWs) bands (ev): -31.5420 -31.5420 -15.6203 -15.6203 -12.7117 -12.7117 -12.3490 -12.3490 -12.3101 -12.3101 -5.1211 -5.1211 0.6331 0.6331 3.2196 3.2196 3.2443 3.2443 7.3845 7.3845 7.4046 7.4046 11.9100 11.9100 12.0143 12.0143 13.9613 13.9613 15.2744 15.2744 k = 0.0093 0.0078-0.0000 ( 1333 PWs) bands (ev): -31.5420 -31.5420 -15.6204 -15.6204 -12.7118 -12.7118 -12.3491 -12.3491 -12.3101 -12.3101 -5.1229 -5.1229 0.6363 0.6363 3.2189 3.2189 3.2437 3.2437 7.3863 7.3863 7.4064 7.4064 11.9109 11.9109 12.0129 12.0129 13.9616 13.9616 15.2735 15.2740 k = 0.0185 0.0157-0.0000 ( 1337 PWs) bands (ev): -31.5419 -31.5419 -15.6207 -15.6207 -12.7118 -12.7118 -12.3493 -12.3493 -12.3098 -12.3098 -5.1283 -5.1283 0.6459 0.6459 3.2170 3.2170 3.2418 3.2418 7.3917 7.3917 7.4118 7.4118 11.9136 11.9136 12.0088 12.0088 13.9627 13.9627 15.2710 15.2713 k = 0.0278 0.0235-0.0000 ( 1345 PWs) bands (ev): -31.5418 -31.5418 -15.6211 -15.6211 -12.7118 -12.7118 -12.3497 -12.3497 -12.3093 -12.3093 -5.1373 -5.1373 0.6617 0.6617 3.2139 3.2139 3.2387 3.2387 7.4006 7.4006 7.4207 7.4207 11.9182 11.9182 12.0020 12.0020 13.9642 13.9642 15.2668 15.2668 k = 0.0370 0.0313-0.0000 ( 1349 PWs) bands (ev): -31.5416 -31.5416 -15.6217 -15.6217 -12.7117 -12.7117 -12.3501 -12.3501 -12.3086 -12.3086 -5.1497 -5.1497 0.6837 0.6837 3.2096 3.2096 3.2344 3.2344 7.4131 7.4131 7.4333 7.4333 11.9246 11.9246 11.9927 11.9927 13.9667 13.9667 15.2609 15.2609 k = 0.0463 0.0392-0.0000 ( 1349 PWs) bands (ev): -31.5414 -31.5414 -15.6225 -15.6225 -12.7117 -12.7117 -12.3505 -12.3505 -12.3077 -12.3077 -5.1653 -5.1653 0.7115 0.7115 3.2041 3.2041 3.2289 3.2289 7.4291 7.4291 7.4493 7.4493 11.9329 11.9329 11.9808 11.9808 13.9699 13.9699 15.2534 15.2534 k = 0.0556 0.0470-0.0000 ( 1353 PWs) bands (ev): -31.5411 -31.5411 -15.6234 -15.6234 -12.7116 -12.7116 -12.3511 -12.3511 -12.3068 -12.3068 -5.1838 -5.1838 0.7449 0.7449 3.1975 3.1975 3.2223 3.2223 7.4484 7.4484 7.4687 7.4687 11.9429 11.9429 11.9665 11.9665 13.9738 13.9738 15.2443 15.2444 k = 0.0648 0.0549-0.0000 ( 1349 PWs) bands (ev): -31.5408 -31.5408 -15.6244 -15.6244 -12.7116 -12.7116 -12.3518 -12.3518 -12.3056 -12.3056 -5.2049 -5.2049 0.7836 0.7836 3.1899 3.1899 3.2147 3.2147 7.4709 7.4709 7.4913 7.4913 11.9497 11.9497 11.9548 11.9548 13.9784 13.9784 15.1861 15.1861 k = 0.0741 0.0627-0.0000 ( 1349 PWs) bands (ev): -31.5404 -31.5404 -15.6256 -15.6256 -12.7116 -12.7116 -12.3526 -12.3526 -12.3045 -12.3045 -5.2285 -5.2285 0.8270 0.8270 3.1812 3.1812 3.2061 3.2061 7.4967 7.4967 7.5172 7.5172 11.9307 11.9307 11.9685 11.9685 13.9836 13.9836 15.0504 15.0505 k = 0.0833 0.0705-0.0000 ( 1349 PWs) bands (ev): -31.5399 -31.5399 -15.6267 -15.6267 -12.7116 -12.7116 -12.3535 -12.3535 -12.3034 -12.3034 -5.2541 -5.2541 0.8748 0.8748 3.1716 3.1716 3.1965 3.1965 7.5254 7.5254 7.5461 7.5461 11.9095 11.9095 11.9838 11.9838 13.9895 13.9895 14.9161 14.9161 k = 0.0926 0.0784-0.0000 ( 1357 PWs) bands (ev): -31.5395 -31.5395 -15.6279 -15.6279 -12.7119 -12.7119 -12.3545 -12.3545 -12.3024 -12.3024 -5.2813 -5.2813 0.9266 0.9266 3.1612 3.1612 3.1861 3.1861 7.5571 7.5571 7.5779 7.5779 11.8862 11.8862 12.0009 12.0009 13.9959 13.9959 14.7839 14.7839 k = 0.1019 0.0862-0.0000 ( 1357 PWs) bands (ev): -31.5389 -31.5389 -15.6291 -15.6291 -12.7121 -12.7121 -12.3556 -12.3556 -12.3015 -12.3015 -5.3099 -5.3099 0.9818 0.9818 3.1499 3.1499 3.1749 3.1749 7.5914 7.5914 7.6124 7.6124 11.8611 11.8611 12.0197 12.0197 14.0031 14.0031 14.6548 14.6548 k = 0.1111 0.0940-0.0000 ( 1352 PWs) bands (ev): -31.5383 -31.5383 -15.6302 -15.6302 -12.7125 -12.7125 -12.3567 -12.3567 -12.3007 -12.3007 -5.3394 -5.3394 1.0399 1.0399 3.1381 3.1381 3.1631 3.1631 7.6284 7.6284 7.6495 7.6495 11.8343 11.8343 12.0402 12.0402 14.0108 14.0108 14.5292 14.5292 k = 0.1204 0.1019-0.0000 ( 1352 PWs) bands (ev): -31.5377 -31.5377 -15.6313 -15.6313 -12.7130 -12.7130 -12.3579 -12.3579 -12.3003 -12.3003 -5.3695 -5.3695 1.1005 1.1005 3.1256 3.1256 3.1506 3.1506 7.6677 7.6677 7.6890 7.6890 11.8058 11.8058 12.0622 12.0622 14.0192 14.0192 14.4076 14.4076 k = 0.1296 0.1097-0.0000 ( 1360 PWs) bands (ev): -31.5371 -31.5371 -15.6323 -15.6323 -12.7137 -12.7137 -12.3593 -12.3593 -12.3003 -12.3003 -5.3999 -5.3999 1.1630 1.1630 3.1125 3.1125 3.1376 3.1376 7.7092 7.7092 7.7307 7.7307 11.7759 11.7759 12.0858 12.0858 14.0280 14.0280 14.2905 14.2905 k = 0.1389 0.1175-0.0000 ( 1368 PWs) bands (ev): -31.5364 -31.5364 -15.6332 -15.6332 -12.7146 -12.7146 -12.3607 -12.3607 -12.3008 -12.3008 -5.4302 -5.4302 1.2269 1.2269 3.0991 3.0991 3.1242 3.1242 7.7527 7.7527 7.7744 7.7744 11.7447 11.7447 12.1109 12.1109 14.0374 14.0374 14.1782 14.1782 k = 0.1481 0.1254-0.0000 ( 1368 PWs) bands (ev): -31.5357 -31.5357 -15.6339 -15.6339 -12.7156 -12.7156 -12.3622 -12.3622 -12.3016 -12.3016 -5.4601 -5.4601 1.2917 1.2917 3.0852 3.0852 3.1105 3.1105 7.7981 7.7981 7.8200 7.8200 11.7124 11.7124 12.1374 12.1374 14.0473 14.0473 14.0715 14.0715 k = 0.1574 0.1332-0.0000 ( 1368 PWs) bands (ev): -31.5350 -31.5350 -15.6344 -15.6344 -12.7169 -12.7169 -12.3637 -12.3637 -12.3030 -12.3030 -5.4892 -5.4892 1.3568 1.3568 3.0712 3.0712 3.0965 3.0965 7.8451 7.8451 7.8672 7.8672 11.6792 11.6792 12.1653 12.1653 13.9709 13.9709 14.0576 14.0576 k = 0.1667 0.1410-0.0000 ( 1368 PWs) bands (ev): -31.5342 -31.5342 -15.6347 -15.6347 -12.7184 -12.7184 -12.3652 -12.3652 -12.3051 -12.3051 -5.5173 -5.5173 1.4219 1.4219 3.0569 3.0569 3.0822 3.0822 7.8936 7.8936 7.9159 7.9159 11.6451 11.6451 12.1945 12.1945 13.8765 13.8765 14.0685 14.0685 k = 0.1759 0.1489 0.0000 ( 1376 PWs) bands (ev): -31.5334 -31.5334 -15.6347 -15.6347 -12.7201 -12.7201 -12.3669 -12.3669 -12.3079 -12.3079 -5.5442 -5.5442 1.4863 1.4863 3.0424 3.0424 3.0679 3.0679 7.9432 7.9432 7.9657 7.9657 11.6103 11.6103 12.2249 12.2249 13.7890 13.7890 14.0797 14.0797 k = 0.1852 0.1567-0.0000 ( 1376 PWs) bands (ev): -31.5325 -31.5325 -15.6345 -15.6345 -12.7221 -12.7221 -12.3686 -12.3686 -12.3113 -12.3113 -5.5696 -5.5696 1.5496 1.5496 3.0280 3.0280 3.0535 3.0535 7.9939 7.9939 8.0166 8.0166 11.5750 11.5750 12.2565 12.2565 13.7086 13.7086 14.0912 14.0912 k = 0.1944 0.1646-0.0000 ( 1384 PWs) bands (ev): -31.5317 -31.5317 -15.6339 -15.6339 -12.7243 -12.7243 -12.3703 -12.3703 -12.3156 -12.3156 -5.5933 -5.5933 1.6114 1.6114 3.0135 3.0135 3.0391 3.0391 8.0454 8.0454 8.0684 8.0684 11.5394 11.5394 12.2890 12.2890 13.6359 13.6359 14.1032 14.1032 k = 0.2037 0.1724-0.0000 ( 1384 PWs) bands (ev): -31.5308 -31.5308 -15.6330 -15.6330 -12.7268 -12.7268 -12.3721 -12.3721 -12.3206 -12.3206 -5.6151 -5.6151 1.6713 1.6713 2.9991 2.9991 3.0248 3.0248 8.0975 8.0975 8.1207 8.1207 11.5035 11.5035 12.3226 12.3226 13.5711 13.5711 14.1154 14.1154 k = 0.2130 0.1802-0.0000 ( 1384 PWs) bands (ev): -31.5299 -31.5299 -15.6318 -15.6318 -12.7297 -12.7297 -12.3739 -12.3739 -12.3264 -12.3264 -5.6349 -5.6349 1.7289 1.7289 2.9849 2.9849 3.0107 3.0107 8.1500 8.1500 8.1735 8.1735 11.4675 11.4675 12.3571 12.3571 13.5146 13.5146 14.1279 14.1279 k = 0.2222 0.1881-0.0000 ( 1384 PWs) bands (ev): -31.5291 -31.5291 -15.6301 -15.6301 -12.7328 -12.7328 -12.3757 -12.3757 -12.3331 -12.3331 -5.6525 -5.6525 1.7838 1.7838 2.9708 2.9708 2.9967 2.9967 8.2028 8.2028 8.2265 8.2265 11.4315 11.4315 12.3923 12.3923 13.4668 13.4668 14.1406 14.1406 k = 0.2315 0.1959-0.0000 ( 1384 PWs) bands (ev): -31.5281 -31.5281 -15.6282 -15.6282 -12.7362 -12.7362 -12.3775 -12.3775 -12.3405 -12.3405 -5.6680 -5.6680 1.8357 1.8357 2.9569 2.9569 2.9829 2.9829 8.2555 8.2555 8.2794 8.2794 11.3956 11.3956 12.4283 12.4283 13.4278 13.4278 14.1535 14.1535 k = 0.2407 0.2037-0.0000 ( 1384 PWs) bands (ev): -31.5272 -31.5272 -15.6258 -15.6258 -12.7401 -12.7401 -12.3794 -12.3794 -12.3486 -12.3486 -5.6811 -5.6811 1.8844 1.8844 2.9433 2.9433 2.9694 2.9694 8.3080 8.3080 8.3322 8.3322 11.3600 11.3600 12.4650 12.4650 13.3977 13.3977 14.1665 14.1665 k = 0.2500 0.2116-0.0000 ( 1380 PWs) bands (ev): -31.5263 -31.5263 -15.6230 -15.6230 -12.7442 -12.7442 -12.3812 -12.3812 -12.3575 -12.3575 -5.6920 -5.6920 1.9295 1.9295 2.9300 2.9300 2.9563 2.9563 8.3602 8.3602 8.3846 8.3846 11.3249 11.3249 12.5024 12.5024 13.3769 13.3769 14.1797 14.1797 k = 0.2593 0.2194-0.0000 ( 1380 PWs) bands (ev): -31.5254 -31.5254 -15.6199 -15.6199 -12.7488 -12.7488 -12.3830 -12.3830 -12.3671 -12.3671 -5.7005 -5.7005 1.9710 1.9710 2.9171 2.9171 2.9434 2.9434 8.4117 8.4117 8.4364 8.4364 11.2901 11.2901 12.5405 12.5405 13.3651 13.3651 14.1928 14.1928 k = 0.2685 0.2272-0.0000 ( 1380 PWs) bands (ev): -31.5245 -31.5245 -15.6164 -15.6164 -12.7538 -12.7538 -12.3849 -12.3849 -12.3772 -12.3772 -5.7068 -5.7068 2.0086 2.0086 2.9046 2.9046 2.9310 2.9310 8.4626 8.4626 8.4874 8.4874 11.2560 11.2560 12.5793 12.5793 13.3623 13.3623 14.2060 14.2060 k = 0.2778 0.2351-0.0000 ( 1380 PWs) bands (ev): -31.5236 -31.5236 -15.6125 -15.6125 -12.7592 -12.7592 -12.3879 -12.3879 -12.3867 -12.3867 -5.7108 -5.7108 2.0424 2.0424 2.8924 2.8924 2.9189 2.9189 8.5125 8.5125 8.5376 8.5376 11.2225 11.2225 12.6191 12.6191 13.3684 13.3684 14.2192 14.2192 k = 0.2870 0.2429-0.0000 ( 1380 PWs) bands (ev): -31.5227 -31.5227 -15.6083 -15.6083 -12.7651 -12.7651 -12.3989 -12.3989 -12.3885 -12.3885 -5.7127 -5.7127 2.0722 2.0722 2.8807 2.8807 2.9073 2.9073 8.5612 8.5612 8.5866 8.5866 11.1897 11.1897 12.6598 12.6598 13.3832 13.3832 14.2323 14.2323 k = 0.2963 0.2508-0.0000 ( 1380 PWs) bands (ev): -31.5218 -31.5218 -15.6038 -15.6038 -12.7715 -12.7715 -12.4102 -12.4102 -12.3903 -12.3903 -5.7125 -5.7125 2.0981 2.0981 2.8694 2.8694 2.8962 2.8962 8.6088 8.6088 8.6343 8.6343 11.1578 11.1578 12.7017 12.7017 13.4062 13.4062 14.2452 14.2452 k = 0.3056 0.2586-0.0000 ( 1380 PWs) bands (ev): -31.5209 -31.5209 -15.5989 -15.5989 -12.7784 -12.7784 -12.4217 -12.4217 -12.3921 -12.3921 -5.7104 -5.7104 2.1201 2.1201 2.8586 2.8586 2.8855 2.8855 8.6549 8.6549 8.6807 8.6807 11.1268 11.1268 12.7447 12.7447 13.4371 13.4371 14.2580 14.2580 k = 0.3148 0.2664-0.0000 ( 1372 PWs) bands (ev): -31.5201 -31.5201 -15.5938 -15.5938 -12.7856 -12.7856 -12.4331 -12.4331 -12.3938 -12.3938 -5.7064 -5.7064 2.1384 2.1384 2.8483 2.8483 2.8752 2.8752 8.6995 8.6995 8.7255 8.7255 11.0968 11.0968 12.7890 12.7890 13.4759 13.4759 14.2706 14.2706 k = 0.3241 0.2743-0.0000 ( 1380 PWs) bands (ev): -31.5193 -31.5193 -15.5885 -15.5885 -12.7935 -12.7935 -12.4446 -12.4446 -12.3955 -12.3955 -5.7009 -5.7009 2.1531 2.1531 2.8384 2.8384 2.8655 2.8655 8.7425 8.7425 8.7686 8.7686 11.0678 11.0678 12.8343 12.8343 13.5217 13.5217 14.2828 14.2828 k = 0.3333 0.2821-0.0000 ( 1380 PWs) bands (ev): -31.5185 -31.5185 -15.5829 -15.5829 -12.8019 -12.8019 -12.4558 -12.4558 -12.3972 -12.3972 -5.6939 -5.6939 2.1644 2.1644 2.8291 2.8291 2.8563 2.8563 8.7836 8.7836 8.8100 8.8100 11.0400 11.0400 12.8805 12.8805 13.5744 13.5744 14.2948 14.2948 k = 0.3426 0.2899-0.0000 ( 1380 PWs) bands (ev): -31.5177 -31.5177 -15.5772 -15.5772 -12.8106 -12.8106 -12.4667 -12.4667 -12.3987 -12.3987 -5.6856 -5.6856 2.1725 2.1725 2.8202 2.8202 2.8475 2.8475 8.8229 8.8229 8.8494 8.8494 11.0134 11.0134 12.9273 12.9273 13.6339 13.6339 14.3064 14.3064 k = 0.3519 0.2978-0.0000 ( 1380 PWs) bands (ev): -31.5169 -31.5169 -15.5714 -15.5714 -12.8198 -12.8198 -12.4772 -12.4772 -12.4003 -12.4003 -5.6762 -5.6762 2.1778 2.1778 2.8119 2.8119 2.8393 2.8393 8.8602 8.8602 8.8869 8.8869 10.9880 10.9880 12.9745 12.9745 13.6997 13.6997 14.3177 14.3177 k = 0.3611 0.3056-0.0000 ( 1380 PWs) bands (ev): -31.5162 -31.5162 -15.5656 -15.5656 -12.8293 -12.8293 -12.4872 -12.4872 -12.4017 -12.4017 -5.6659 -5.6659 2.1804 2.1804 2.8041 2.8041 2.8316 2.8316 8.8955 8.8955 8.9223 8.9223 10.9640 10.9640 13.0215 13.0215 13.7717 13.7717 14.3285 14.3285 k = 0.3704 0.3134-0.0000 ( 1372 PWs) bands (ev): -31.5155 -31.5155 -15.5597 -15.5597 -12.8390 -12.8390 -12.4965 -12.4965 -12.4031 -12.4031 -5.6550 -5.6550 2.1808 2.1808 2.7968 2.7968 2.8244 2.8244 8.9287 8.9287 8.9556 8.9556 10.9413 10.9413 13.0680 13.0680 13.8496 13.8496 14.3388 14.3388 k = 0.3796 0.3213 0.0000 ( 1384 PWs) bands (ev): -31.5149 -31.5149 -15.5539 -15.5539 -12.8490 -12.8490 -12.5054 -12.5054 -12.4044 -12.4044 -5.6436 -5.6436 2.1792 2.1792 2.7900 2.7900 2.8177 2.8177 8.9596 8.9596 8.9867 8.9867 10.9199 10.9199 13.1133 13.1133 13.9327 13.9327 14.3486 14.3486 k = 0.3889 0.3291-0.0000 ( 1384 PWs) bands (ev): -31.5143 -31.5143 -15.5482 -15.5482 -12.8589 -12.8589 -12.5136 -12.5136 -12.4057 -12.4057 -5.6320 -5.6320 2.1760 2.1760 2.7837 2.7837 2.8115 2.8115 8.9884 8.9884 9.0156 9.0156 10.9000 10.9000 13.1572 13.1572 14.0207 14.0207 14.3578 14.3578 k = 0.3981 0.3369 0.0000 ( 1384 PWs) bands (ev): -31.5137 -31.5137 -15.5426 -15.5426 -12.8687 -12.8687 -12.5210 -12.5210 -12.4068 -12.4068 -5.6204 -5.6204 2.1715 2.1715 2.7780 2.7780 2.8058 2.8058 9.0149 9.0149 9.0422 9.0422 10.8815 10.8815 13.1991 13.1991 14.1129 14.1129 14.3664 14.3664 k = 0.4074 0.3448-0.0000 ( 1384 PWs) bands (ev): -31.5132 -31.5132 -15.5373 -15.5373 -12.8783 -12.8783 -12.5277 -12.5277 -12.4079 -12.4079 -5.6090 -5.6090 2.1661 2.1661 2.7727 2.7727 2.8007 2.8007 9.0392 9.0392 9.0665 9.0665 10.8646 10.8646 13.2387 13.2387 14.2084 14.2084 14.3745 14.3745 k = 0.4167 0.3526-0.0000 ( 1384 PWs) bands (ev): -31.5127 -31.5127 -15.5323 -15.5323 -12.8876 -12.8876 -12.5337 -12.5337 -12.4089 -12.4089 -5.5979 -5.5979 2.1601 2.1601 2.7680 2.7680 2.7960 2.7960 9.0611 9.0611 9.0886 9.0886 10.8491 10.8491 13.2756 13.2756 14.3062 14.3062 14.3818 14.3818 k = 0.4259 0.3605 0.0000 ( 1384 PWs) bands (ev): -31.5123 -31.5123 -15.5277 -15.5277 -12.8963 -12.8963 -12.5391 -12.5391 -12.4097 -12.4097 -5.5875 -5.5875 2.1538 2.1538 2.7638 2.7638 2.7919 2.7919 9.0808 9.0808 9.1083 9.1083 10.8353 10.8353 13.3095 13.3095 14.3885 14.3885 14.4049 14.4049 k = 0.4352 0.3683-0.0000 ( 1384 PWs) bands (ev): -31.5119 -31.5119 -15.5234 -15.5234 -12.9044 -12.9044 -12.5437 -12.5437 -12.4105 -12.4105 -5.5778 -5.5778 2.1474 2.1474 2.7601 2.7601 2.7882 2.7882 9.0981 9.0981 9.1257 9.1257 10.8229 10.8229 13.3401 13.3401 14.3944 14.3944 14.5028 14.5028 k = 0.4444 0.3761-0.0000 ( 1376 PWs) bands (ev): -31.5116 -31.5116 -15.5196 -15.5196 -12.9116 -12.9116 -12.5476 -12.5476 -12.4111 -12.4111 -5.5691 -5.5691 2.1414 2.1414 2.7569 2.7569 2.7851 2.7851 9.1132 9.1132 9.1408 9.1408 10.8123 10.8123 13.3672 13.3672 14.3998 14.3998 14.5978 14.5978 k = 0.4537 0.3840-0.0000 ( 1376 PWs) bands (ev): -31.5113 -31.5113 -15.5162 -15.5162 -12.9180 -12.9180 -12.5510 -12.5510 -12.4117 -12.4117 -5.5614 -5.5614 2.1358 2.1358 2.7542 2.7542 2.7824 2.7824 9.1259 9.1259 9.1536 9.1536 10.8032 10.8032 13.3905 13.3905 14.4042 14.4042 14.6875 14.6875 k = 0.4630 0.3918-0.0000 ( 1388 PWs) bands (ev): -31.5111 -31.5111 -15.5135 -15.5135 -12.9235 -12.9235 -12.5537 -12.5537 -12.4122 -12.4122 -5.5549 -5.5549 2.1309 2.1309 2.7520 2.7520 2.7802 2.7802 9.1362 9.1362 9.1640 9.1640 10.7957 10.7957 13.4097 13.4097 14.4078 14.4078 14.7686 14.7686 k = 0.4722 0.3996-0.0000 ( 1400 PWs) bands (ev): -31.5109 -31.5109 -15.5113 -15.5113 -12.9278 -12.9278 -12.5559 -12.5559 -12.4127 -12.4127 -5.5498 -5.5498 2.1270 2.1270 2.7502 2.7502 2.7785 2.7785 9.1442 9.1442 9.1720 9.1720 10.7898 10.7898 13.4248 13.4248 14.4106 14.4106 14.8376 14.8377 k = 0.4815 0.4075-0.0000 ( 1396 PWs) bands (ev): -31.5108 -31.5108 -15.5097 -15.5097 -12.9309 -12.9309 -12.5574 -12.5574 -12.4130 -12.4130 -5.5461 -5.5461 2.1240 2.1240 2.7490 2.7490 2.7773 2.7773 9.1500 9.1500 9.1778 9.1778 10.7857 10.7857 13.4358 13.4358 14.4126 14.4126 14.8909 14.8909 k = 0.4907 0.4153-0.0000 ( 1396 PWs) bands (ev): -31.5107 -31.5107 -15.5088 -15.5088 -12.9328 -12.9328 -12.5582 -12.5582 -12.4131 -12.4131 -5.5438 -5.5438 2.1222 2.1222 2.7483 2.7483 2.7766 2.7766 9.1534 9.1534 9.1812 9.1812 10.7832 10.7832 13.4424 13.4424 14.4138 14.4139 14.9246 14.9246 k = 0.5000 0.4231-0.0000 ( 1404 PWs) bands (ev): -31.5107 -31.5107 -15.5085 -15.5085 -12.9336 -12.9336 -12.5586 -12.5586 -12.4132 -12.4132 -5.5430 -5.5430 2.1216 2.1216 2.7480 2.7480 2.7763 2.7763 9.1546 9.1546 9.1824 9.1824 10.7823 10.7823 13.4445 13.4445 14.4143 14.4143 14.9362 14.9362 k = 0.5000 0.4231-0.0000 ( 1404 PWs) bands (ev): -31.5107 -31.5107 -15.5085 -15.5085 -12.9336 -12.9336 -12.5586 -12.5586 -12.4132 -12.4132 -5.5430 -5.5430 2.1216 2.1216 2.7480 2.7480 2.7763 2.7763 9.1546 9.1546 9.1824 9.1824 10.7823 10.7823 13.4445 13.4445 14.4143 14.4143 14.9362 14.9362 k = 0.4945 0.4297 0.0086 ( 1396 PWs) bands (ev): -31.5106 -31.5106 -15.5088 -15.5088 -12.9333 -12.9333 -12.5584 -12.5584 -12.4130 -12.4130 -5.5430 -5.5430 2.1211 2.1211 2.7473 2.7473 2.7756 2.7756 9.1539 9.1539 9.1817 9.1817 10.7848 10.7848 13.4471 13.4471 14.4155 14.4155 14.8951 14.8952 k = 0.4889 0.4362 0.0171 ( 1390 PWs) bands (ev): -31.5106 -31.5106 -15.5098 -15.5098 -12.9327 -12.9327 -12.5578 -12.5578 -12.4125 -12.4125 -5.5427 -5.5427 2.1196 2.1196 2.7450 2.7450 2.7734 2.7734 9.1516 9.1516 9.1796 9.1796 10.7920 10.7920 13.4548 13.4548 14.4194 14.4194 14.8439 14.8440 k = 0.4834 0.4428 0.0257 ( 1388 PWs) bands (ev): -31.5105 -31.5105 -15.5114 -15.5114 -12.9319 -12.9319 -12.5569 -12.5569 -12.4117 -12.4117 -5.5423 -5.5423 2.1170 2.1170 2.7411 2.7411 2.7700 2.7700 9.1474 9.1474 9.1764 9.1764 10.8040 10.8040 13.4675 13.4675 14.4256 14.4256 14.7922 14.7922 k = 0.4779 0.4493 0.0343 ( 1388 PWs) bands (ev): -31.5104 -31.5104 -15.5137 -15.5137 -12.9307 -12.9307 -12.5557 -12.5557 -12.4105 -12.4105 -5.5417 -5.5417 2.1134 2.1134 2.7353 2.7353 2.7656 2.7656 9.1411 9.1411 9.1725 9.1725 10.8207 10.8207 13.4852 13.4852 14.4343 14.4343 14.7403 14.7403 k = 0.4723 0.4558 0.0428 ( 1392 PWs) bands (ev): -31.5102 -31.5102 -15.5166 -15.5166 -12.9292 -12.9292 -12.5543 -12.5543 -12.4091 -12.4091 -5.5409 -5.5409 2.1086 2.1086 2.7274 2.7274 2.7605 2.7605 9.1322 9.1322 9.1681 9.1681 10.8422 10.8422 13.5079 13.5079 14.4453 14.4453 14.6886 14.6886 k = 0.4668 0.4624 0.0514 ( 1388 PWs) bands (ev): -31.5100 -31.5100 -15.5201 -15.5201 -12.9273 -12.9273 -12.5524 -12.5524 -12.4073 -12.4073 -5.5400 -5.5400 2.1028 2.1028 2.7175 2.7175 2.7550 2.7550 9.1208 9.1208 9.1636 9.1636 10.8683 10.8683 13.5353 13.5353 14.4588 14.4588 14.6373 14.6373 k = 0.4613 0.4689 0.0600 ( 1392 PWs) bands (ev): -31.5098 -31.5098 -15.5242 -15.5242 -12.9251 -12.9251 -12.5503 -12.5503 -12.4053 -12.4053 -5.5389 -5.5389 2.0959 2.0959 2.7054 2.7054 2.7491 2.7491 9.1066 9.1066 9.1588 9.1588 10.8989 10.8989 13.5674 13.5674 14.4745 14.4745 14.5865 14.5865 k = 0.4557 0.4755 0.0685 ( 1386 PWs) bands (ev): -31.5096 -31.5096 -15.5289 -15.5289 -12.9226 -12.9226 -12.5479 -12.5479 -12.4029 -12.4029 -5.5377 -5.5377 2.0877 2.0877 2.6915 2.6915 2.7429 2.7429 9.0900 9.0900 9.1537 9.1537 10.9341 10.9341 13.6041 13.6041 14.4925 14.4925 14.5365 14.5365 k = 0.4502 0.4820 0.0771 ( 1388 PWs) bands (ev): -31.5093 -31.5093 -15.5341 -15.5341 -12.9197 -12.9197 -12.5452 -12.5452 -12.4002 -12.4002 -5.5362 -5.5362 2.0784 2.0784 2.6760 2.6760 2.7362 2.7362 9.0711 9.0711 9.1482 9.1482 10.9735 10.9735 13.6451 13.6451 14.4864 14.4864 14.5134 14.5134 k = 0.4447 0.4885 0.0857 ( 1388 PWs) bands (ev): -31.5090 -31.5090 -15.5399 -15.5399 -12.9166 -12.9166 -12.5423 -12.5423 -12.3972 -12.3972 -5.5346 -5.5346 2.0677 2.0677 2.6590 2.6590 2.7292 2.7292 9.0499 9.0499 9.1422 9.1422 11.0173 11.0173 13.6902 13.6902 14.4383 14.4383 14.5355 14.5355 k = 0.4391 0.4951 0.0942 ( 1388 PWs) bands (ev): -31.5087 -31.5087 -15.5462 -15.5462 -12.9132 -12.9132 -12.5391 -12.5391 -12.3939 -12.3939 -5.5329 -5.5329 2.0558 2.0558 2.6408 2.6408 2.7218 2.7218 9.0267 9.0267 9.1357 9.1357 11.0652 11.0652 13.7393 13.7393 14.3910 14.3910 14.5599 14.5599 k = 0.4336 0.5016 0.1028 ( 1384 PWs) bands (ev): -31.5084 -31.5084 -15.5529 -15.5529 -12.9095 -12.9095 -12.5357 -12.5357 -12.3904 -12.3904 -5.5309 -5.5309 2.0424 2.0424 2.6218 2.6218 2.7140 2.7140 9.0014 9.0014 9.1286 9.1286 11.1171 11.1171 13.7922 13.7922 14.3449 14.3449 14.5863 14.5863 k = 0.4281 0.5081 0.1114 ( 1380 PWs) bands (ev): -31.5080 -31.5080 -15.5600 -15.5600 -12.9056 -12.9056 -12.5321 -12.5321 -12.3865 -12.3865 -5.5288 -5.5288 2.0276 2.0276 2.6020 2.6020 2.7059 2.7059 8.9743 8.9743 9.1208 9.1208 11.1729 11.1729 13.8484 13.8484 14.3002 14.3002 14.6144 14.6144 k = 0.4225 0.5147 0.1199 ( 1380 PWs) bands (ev): -31.5077 -31.5077 -15.5676 -15.5676 -12.9014 -12.9014 -12.5283 -12.5283 -12.3824 -12.3824 -5.5265 -5.5265 2.0114 2.0114 2.5818 2.5818 2.6975 2.6975 8.9453 8.9453 9.1124 9.1124 11.2324 11.2324 13.9079 13.9079 14.2569 14.2569 14.6443 14.6443 k = 0.4170 0.5212 0.1285 ( 1384 PWs) bands (ev): -31.5073 -31.5073 -15.5755 -15.5755 -12.8969 -12.8969 -12.5244 -12.5244 -12.3781 -12.3781 -5.5240 -5.5240 1.9936 1.9936 2.5614 2.5614 2.6887 2.6887 8.9146 8.9146 9.1032 9.1032 11.2955 11.2955 13.9702 13.9702 14.2150 14.2150 14.6756 14.6757 k = 0.4115 0.5278 0.1371 ( 1388 PWs) bands (ev): -31.5069 -31.5069 -15.5837 -15.5837 -12.8923 -12.8923 -12.5204 -12.5204 -12.3735 -12.3735 -5.5213 -5.5213 1.9743 1.9743 2.5410 2.5410 2.6798 2.6798 8.8824 8.8824 9.0933 9.0933 11.3620 11.3620 14.0351 14.0351 14.1746 14.1746 14.7085 14.7085 k = 0.4059 0.5343 0.1456 ( 1384 PWs) bands (ev): -31.5065 -31.5065 -15.5922 -15.5922 -12.8874 -12.8874 -12.5162 -12.5162 -12.3687 -12.3687 -5.5185 -5.5185 1.9535 1.9535 2.5208 2.5208 2.6706 2.6706 8.8488 8.8488 9.0827 9.0827 11.4317 11.4317 14.1021 14.1021 14.1361 14.1361 14.7426 14.7427 k = 0.4004 0.5408 0.1542 ( 1384 PWs) bands (ev): -31.5061 -31.5061 -15.6009 -15.6009 -12.8824 -12.8824 -12.5119 -12.5119 -12.3637 -12.3637 -5.5154 -5.5154 1.9312 1.9312 2.5009 2.5009 2.6614 2.6614 8.8137 8.8137 9.0712 9.0712 11.5044 11.5044 14.0991 14.0991 14.1713 14.1713 14.7757 14.7794 k = 0.3949 0.5474 0.1628 ( 1382 PWs) bands (ev): -31.5057 -31.5057 -15.6098 -15.6098 -12.8771 -12.8771 -12.5076 -12.5076 -12.3585 -12.3585 -5.5122 -5.5122 1.9074 1.9074 2.4815 2.4815 2.6520 2.6520 8.7775 8.7775 9.0590 9.0590 11.5800 11.5800 14.0641 14.0641 14.2419 14.2419 14.7676 14.7677 k = 0.3893 0.5539 0.1713 ( 1374 PWs) bands (ev): -31.5053 -31.5053 -15.6189 -15.6189 -12.8717 -12.8717 -12.5031 -12.5031 -12.3531 -12.3531 -5.5088 -5.5088 1.8822 1.8822 2.4627 2.4627 2.6427 2.6427 8.7401 8.7401 9.0459 9.0459 11.6583 11.6583 14.0310 14.0310 14.3136 14.3136 14.7524 14.7524 k = 0.3838 0.5605 0.1799 ( 1374 PWs) bands (ev): -31.5049 -31.5049 -15.6281 -15.6281 -12.8661 -12.8661 -12.4986 -12.4986 -12.3476 -12.3476 -5.5053 -5.5053 1.8556 1.8556 2.4446 2.4446 2.6334 2.6334 8.7016 8.7016 9.0319 9.0319 11.7389 11.7389 13.9998 13.9998 14.3862 14.3862 14.7371 14.7371 k = 0.3783 0.5670 0.1885 ( 1374 PWs) bands (ev): -31.5045 -31.5045 -15.6374 -15.6374 -12.8604 -12.8604 -12.4941 -12.4941 -12.3420 -12.3420 -5.5015 -5.5015 1.8279 1.8279 2.4273 2.4273 2.6242 2.6242 8.6623 8.6623 9.0171 9.0171 11.8216 11.8216 13.9705 13.9705 14.4592 14.4592 14.7221 14.7221 k = 0.3727 0.5735 0.1970 ( 1374 PWs) bands (ev): -31.5042 -31.5042 -15.6467 -15.6467 -12.8545 -12.8545 -12.4895 -12.4895 -12.3363 -12.3363 -5.4975 -5.4975 1.7991 1.7991 2.4108 2.4108 2.6152 2.6152 8.6222 8.6222 9.0014 9.0014 11.9062 11.9062 13.9432 13.9432 14.5322 14.5322 14.7074 14.7074 k = 0.3672 0.5801 0.2056 ( 1374 PWs) bands (ev): -31.5038 -31.5038 -15.6560 -15.6560 -12.8486 -12.8486 -12.4850 -12.4850 -12.3306 -12.3306 -5.4934 -5.4934 1.7693 1.7693 2.3951 2.3951 2.6064 2.6064 8.5814 8.5814 8.9847 8.9847 11.9924 11.9924 13.9180 13.9180 14.6047 14.6047 14.6933 14.6933 k = 0.3617 0.5866 0.2142 ( 1374 PWs) bands (ev): -31.5035 -31.5035 -15.6652 -15.6652 -12.8426 -12.8426 -12.4804 -12.4804 -12.3248 -12.3248 -5.4891 -5.4891 1.7387 1.7387 2.3803 2.3803 2.5979 2.5979 8.5400 8.5400 8.9672 8.9672 12.0799 12.0799 13.8948 13.8948 14.6718 14.6718 14.6846 14.6846 k = 0.3561 0.5931 0.2227 ( 1366 PWs) bands (ev): -31.5031 -31.5031 -15.6744 -15.6744 -12.8364 -12.8364 -12.4757 -12.4757 -12.3189 -12.3189 -5.4846 -5.4846 1.7075 1.7075 2.3663 2.3663 2.5897 2.5897 8.4983 8.4983 8.9488 8.9488 12.1686 12.1686 13.8737 13.8737 14.6657 14.6657 14.7487 14.7487 k = 0.3506 0.5997 0.2313 ( 1366 PWs) bands (ev): -31.5028 -31.5028 -15.6834 -15.6834 -12.8303 -12.8303 -12.4712 -12.4712 -12.3132 -12.3132 -5.4799 -5.4799 1.6758 1.6758 2.3531 2.3531 2.5820 2.5820 8.4562 8.4562 8.9293 8.9293 12.2579 12.2579 13.8547 13.8547 14.6536 14.6536 14.8180 14.8180 k = 0.3451 0.6062 0.2398 ( 1365 PWs) bands (ev): -31.5026 -31.5026 -15.6923 -15.6923 -12.8241 -12.8241 -12.4666 -12.4666 -12.3074 -12.3074 -5.4750 -5.4750 1.6437 1.6437 2.3408 2.3408 2.5747 2.5747 8.4139 8.4139 8.9090 8.9090 12.3476 12.3476 13.8377 13.8377 14.6422 14.6422 14.8859 14.8859 k = 0.3395 0.6128 0.2484 ( 1365 PWs) bands (ev): -31.5023 -31.5023 -15.7010 -15.7010 -12.8179 -12.8179 -12.4620 -12.4620 -12.3018 -12.3018 -5.4700 -5.4700 1.6115 1.6115 2.3294 2.3294 2.5679 2.5679 8.3715 8.3715 8.8877 8.8877 12.4373 12.4373 13.8228 13.8228 14.6317 14.6317 14.9519 14.9519 k = 0.3395 0.6128 0.2484 ( 1365 PWs) bands (ev): -31.5023 -31.5023 -15.7010 -15.7010 -12.8179 -12.8179 -12.4620 -12.4620 -12.3018 -12.3018 -5.4700 -5.4700 1.6115 1.6115 2.3294 2.3294 2.5679 2.5679 8.3715 8.3715 8.8877 8.8877 12.4373 12.4373 13.8228 13.8228 14.6317 14.6317 14.9519 14.9519 k = 0.3286 0.6094 0.2529 ( 1362 PWs) bands (ev): -31.5022 -31.5022 -15.7056 -15.7056 -12.8143 -12.8143 -12.4595 -12.4595 -12.2988 -12.2988 -5.4680 -5.4680 1.5957 1.5957 2.3235 2.3235 2.5646 2.5646 8.3493 8.3493 8.8760 8.8760 12.4844 12.4844 13.8147 13.8147 14.6260 14.6260 14.9822 14.9822 k = 0.3176 0.6059 0.2574 ( 1364 PWs) bands (ev): -31.5021 -31.5021 -15.7105 -15.7105 -12.8102 -12.8102 -12.4566 -12.4566 -12.2958 -12.2958 -5.4675 -5.4675 1.5822 1.5822 2.3174 2.3174 2.5616 2.5616 8.3273 8.3273 8.8636 8.8636 12.5322 12.5322 13.8049 13.8049 14.6191 14.6191 15.0040 15.0040 k = 0.3067 0.6025 0.2618 ( 1364 PWs) bands (ev): -31.5021 -31.5021 -15.7156 -15.7156 -12.8054 -12.8054 -12.4534 -12.4534 -12.2926 -12.2926 -5.4684 -5.4684 1.5710 1.5710 2.3112 2.3112 2.5589 2.5589 8.3056 8.3056 8.8506 8.8506 12.5804 12.5804 13.7935 13.7935 14.6111 14.6111 15.0155 15.0155 k = 0.2957 0.5991 0.2663 ( 1366 PWs) bands (ev): -31.5021 -31.5021 -15.7210 -15.7210 -12.8002 -12.8002 -12.4500 -12.4500 -12.2893 -12.2893 -5.4707 -5.4707 1.5621 1.5621 2.3046 2.3046 2.5564 2.5564 8.2843 8.2843 8.8372 8.8372 12.6288 12.6288 13.7805 13.7805 14.6021 14.6021 15.0148 15.0148 k = 0.2848 0.5957 0.2708 ( 1360 PWs) bands (ev): -31.5021 -31.5021 -15.7266 -15.7266 -12.7944 -12.7944 -12.4461 -12.4461 -12.2859 -12.2859 -5.4744 -5.4744 1.5556 1.5556 2.2978 2.2978 2.5542 2.5542 8.2635 8.2635 8.8234 8.8234 12.6774 12.6774 13.7660 13.7660 14.5922 14.5922 15.0002 15.0002 k = 0.2738 0.5923 0.2752 ( 1364 PWs) bands (ev): -31.5021 -31.5021 -15.7324 -15.7324 -12.7883 -12.7883 -12.4421 -12.4421 -12.2825 -12.2825 -5.4795 -5.4795 1.5514 1.5514 2.2907 2.2907 2.5521 2.5521 8.2434 8.2434 8.8095 8.8095 12.7259 12.7259 13.7499 13.7499 14.5812 14.5812 14.9708 14.9708 k = 0.2629 0.5889 0.2797 ( 1366 PWs) bands (ev): -31.5022 -31.5022 -15.7383 -15.7383 -12.7818 -12.7818 -12.4377 -12.4377 -12.2789 -12.2789 -5.4859 -5.4859 1.5495 1.5495 2.2832 2.2832 2.5503 2.5503 8.2241 8.2241 8.7953 8.7953 12.7740 12.7740 13.7326 13.7326 14.5694 14.5694 14.9272 14.9272 k = 0.2519 0.5855 0.2842 ( 1366 PWs) bands (ev): -31.5022 -31.5022 -15.7443 -15.7443 -12.7751 -12.7751 -12.4331 -12.4331 -12.2752 -12.2752 -5.4935 -5.4935 1.5499 1.5499 2.2754 2.2754 2.5486 2.5486 8.2057 8.2057 8.7812 8.7812 12.8214 12.8214 13.7141 13.7141 14.5568 14.5568 14.8711 14.8711 k = 0.2410 0.5821 0.2886 ( 1366 PWs) bands (ev): -31.5023 -31.5023 -15.7504 -15.7504 -12.7682 -12.7682 -12.4283 -12.4283 -12.2714 -12.2714 -5.5022 -5.5022 1.5526 1.5526 2.2671 2.2671 2.5471 2.5471 8.1882 8.1882 8.7671 8.7671 12.8680 12.8680 13.6946 13.6946 14.5435 14.5435 14.8051 14.8051 k = 0.2300 0.5786 0.2931 ( 1368 PWs) bands (ev): -31.5024 -31.5024 -15.7566 -15.7566 -12.7612 -12.7612 -12.4233 -12.4233 -12.2676 -12.2676 -5.5120 -5.5120 1.5574 1.5574 2.2585 2.2585 2.5458 2.5458 8.1717 8.1717 8.7532 8.7532 12.9132 12.9132 13.6742 13.6742 14.5296 14.5296 14.7323 14.7323 k = 0.2190 0.5752 0.2976 ( 1367 PWs) bands (ev): -31.5025 -31.5025 -15.7628 -15.7628 -12.7541 -12.7541 -12.4182 -12.4182 -12.2635 -12.2635 -5.5227 -5.5227 1.5643 1.5643 2.2494 2.2494 2.5446 2.5446 8.1562 8.1562 8.7394 8.7394 12.9567 12.9567 13.6533 13.6533 14.5151 14.5151 14.6552 14.6552 k = 0.2081 0.5718 0.3021 ( 1367 PWs) bands (ev): -31.5026 -31.5026 -15.7689 -15.7689 -12.7471 -12.7471 -12.4129 -12.4129 -12.2594 -12.2594 -5.5342 -5.5342 1.5732 1.5732 2.2398 2.2398 2.5436 2.5436 8.1419 8.1419 8.7260 8.7260 12.9981 12.9981 13.6321 13.6321 14.5002 14.5002 14.5764 14.5764 k = 0.1971 0.5684 0.3065 ( 1369 PWs) bands (ev): -31.5027 -31.5027 -15.7750 -15.7750 -12.7401 -12.7401 -12.4076 -12.4076 -12.2552 -12.2552 -5.5463 -5.5463 1.5839 1.5839 2.2298 2.2298 2.5427 2.5427 8.1287 8.1287 8.7129 8.7129 13.0366 13.0366 13.6110 13.6110 14.4830 14.4830 14.4994 14.4994 k = 0.1862 0.5650 0.3110 ( 1368 PWs) bands (ev): -31.5029 -31.5029 -15.7810 -15.7810 -12.7333 -12.7333 -12.4023 -12.4023 -12.2508 -12.2508 -5.5590 -5.5590 1.5964 1.5964 2.2192 2.2192 2.5418 2.5418 8.1166 8.1166 8.7002 8.7002 13.0717 13.0717 13.5905 13.5905 14.4187 14.4187 14.4713 14.4713 k = 0.1752 0.5616 0.3155 ( 1368 PWs) bands (ev): -31.5030 -31.5030 -15.7869 -15.7869 -12.7267 -12.7267 -12.3970 -12.3970 -12.2464 -12.2464 -5.5720 -5.5720 1.6104 1.6104 2.2080 2.2080 2.5411 2.5411 8.1056 8.1056 8.6880 8.6880 13.1024 13.1024 13.5712 13.5712 14.3447 14.3447 14.4559 14.4559 k = 0.1643 0.5582 0.3199 ( 1368 PWs) bands (ev): -31.5031 -31.5031 -15.7926 -15.7926 -12.7204 -12.7204 -12.3917 -12.3917 -12.2420 -12.2420 -5.5852 -5.5852 1.6259 1.6259 2.1963 2.1963 2.5405 2.5405 8.0958 8.0958 8.6763 8.6763 13.1278 13.1278 13.5539 13.5539 14.2747 14.2747 14.4409 14.4409 k = 0.1533 0.5548 0.3244 ( 1366 PWs) bands (ev): -31.5033 -31.5033 -15.7981 -15.7981 -12.7144 -12.7144 -12.3866 -12.3866 -12.2374 -12.2374 -5.5985 -5.5985 1.6428 1.6428 2.1839 2.1839 2.5399 2.5399 8.0870 8.0870 8.6652 8.6652 13.1469 13.1469 13.5391 13.5391 14.2098 14.2098 14.4263 14.4263 k = 0.1424 0.5513 0.3289 ( 1364 PWs) bands (ev): -31.5034 -31.5034 -15.8033 -15.8033 -12.7086 -12.7086 -12.3816 -12.3816 -12.2329 -12.2329 -5.6117 -5.6117 1.6608 1.6608 2.1710 2.1710 2.5395 2.5395 8.0792 8.0792 8.6547 8.6547 13.1588 13.1588 13.5277 13.5277 14.1509 14.1509 14.4120 14.4120 k = 0.1314 0.5479 0.3334 ( 1366 PWs) bands (ev): -31.5035 -31.5035 -15.8083 -15.8083 -12.7033 -12.7033 -12.3770 -12.3770 -12.2283 -12.2283 -5.6246 -5.6246 1.6798 1.6798 2.1574 2.1574 2.5391 2.5391 8.0725 8.0725 8.6448 8.6448 13.1633 13.1633 13.5195 13.5195 14.0987 14.0987 14.3983 14.3983 k = 0.1205 0.5445 0.3378 ( 1364 PWs) bands (ev): -31.5037 -31.5037 -15.8131 -15.8131 -12.6983 -12.6983 -12.3725 -12.3725 -12.2239 -12.2239 -5.6371 -5.6371 1.6998 1.6998 2.1431 2.1431 2.5387 2.5387 8.0666 8.0666 8.6356 8.6356 13.1606 13.1606 13.5144 13.5144 14.0537 14.0537 14.3852 14.3852 k = 0.1095 0.5411 0.3423 ( 1364 PWs) bands (ev): -31.5038 -31.5038 -15.8175 -15.8175 -12.6938 -12.6938 -12.3684 -12.3684 -12.2195 -12.2195 -5.6491 -5.6491 1.7204 1.7204 2.1282 2.1282 2.5384 2.5384 8.0616 8.0616 8.6271 8.6271 13.1517 13.1517 13.5115 13.5115 14.0162 14.0162 14.3729 14.3729 k = 0.0986 0.5377 0.3468 ( 1363 PWs) bands (ev): -31.5039 -31.5039 -15.8215 -15.8215 -12.6896 -12.6896 -12.3646 -12.3646 -12.2153 -12.2153 -5.6604 -5.6604 1.7417 1.7417 2.1126 2.1126 2.5381 2.5381 8.0574 8.0574 8.6194 8.6194 13.1382 13.1382 13.5095 13.5095 13.9861 13.9861 14.3615 14.3615 k = 0.0876 0.5343 0.3512 ( 1361 PWs) bands (ev): -31.5040 -31.5040 -15.8252 -15.8252 -12.6859 -12.6859 -12.3611 -12.3611 -12.2114 -12.2114 -5.6709 -5.6709 1.7634 1.7634 2.0963 2.0963 2.5379 2.5379 8.0539 8.0539 8.6124 8.6124 13.1218 13.1218 13.5076 13.5076 13.9631 13.9631 14.3510 14.3510 k = 0.0767 0.5309 0.3557 ( 1363 PWs) bands (ev): -31.5041 -31.5041 -15.8285 -15.8285 -12.6826 -12.6826 -12.3581 -12.3581 -12.2077 -12.2077 -5.6805 -5.6805 1.7855 1.7855 2.0794 2.0794 2.5377 2.5377 8.0510 8.0510 8.6062 8.6062 13.1038 13.1038 13.5050 13.5050 13.9464 13.9464 14.3415 14.3415 k = 0.0657 0.5275 0.3602 ( 1361 PWs) bands (ev): -31.5042 -31.5042 -15.8315 -15.8315 -12.6798 -12.6798 -12.3554 -12.3554 -12.2043 -12.2043 -5.6890 -5.6890 1.8077 1.8077 2.0619 2.0619 2.5376 2.5376 8.0487 8.0487 8.6008 8.6008 13.0858 13.0858 13.5017 13.5017 13.9351 13.9351 14.3331 14.3331 k = 0.0548 0.5240 0.3646 ( 1359 PWs) bands (ev): -31.5042 -31.5042 -15.8339 -15.8339 -12.6774 -12.6774 -12.3531 -12.3531 -12.2014 -12.2014 -5.6964 -5.6964 1.8300 1.8300 2.0438 2.0438 2.5375 2.5375 8.0469 8.0469 8.5962 8.5962 13.0689 13.0689 13.4979 13.4979 13.9280 13.9280 14.3259 14.3259 k = 0.0438 0.5206 0.3691 ( 1360 PWs) bands (ev): -31.5043 -31.5043 -15.8360 -15.8360 -12.6754 -12.6754 -12.3513 -12.3513 -12.1989 -12.1989 -5.7026 -5.7026 1.8522 1.8522 2.0252 2.0252 2.5374 2.5374 8.0455 8.0455 8.5925 8.5925 13.0539 13.0539 13.4941 13.4941 13.9238 13.9238 14.3199 14.3199 k = 0.0329 0.5172 0.3736 ( 1358 PWs) bands (ev): -31.5043 -31.5043 -15.8376 -15.8376 -12.6739 -12.6739 -12.3498 -12.3498 -12.1969 -12.1969 -5.7075 -5.7075 1.8740 1.8740 2.0062 2.0062 2.5373 2.5373 8.0444 8.0444 8.5895 8.5895 13.0415 13.0415 13.4906 13.4906 13.9217 13.9217 14.3152 14.3152 k = 0.0219 0.5138 0.3781 ( 1360 PWs) bands (ev): -31.5044 -31.5044 -15.8388 -15.8388 -12.6728 -12.6728 -12.3488 -12.3488 -12.1955 -12.1955 -5.7110 -5.7110 1.8951 1.8951 1.9871 1.9871 2.5373 2.5373 8.0437 8.0437 8.5874 8.5874 13.0323 13.0323 13.4878 13.4878 13.9208 13.9208 14.3117 14.3117 k = 0.0110 0.5104 0.3825 ( 1354 PWs) bands (ev): -31.5044 -31.5044 -15.8395 -15.8395 -12.6721 -12.6721 -12.3481 -12.3481 -12.1946 -12.1946 -5.7131 -5.7131 1.9144 1.9144 1.9691 1.9691 2.5372 2.5372 8.0433 8.0433 8.5861 8.5861 13.0266 13.0266 13.4860 13.4860 13.9205 13.9205 14.3097 14.3097 k = 0.0000 0.5070 0.3870 ( 1352 PWs) bands (ev): -31.5044 -31.5044 -15.8397 -15.8397 -12.6718 -12.6718 -12.3479 -12.3479 -12.1943 -12.1943 -5.7138 -5.7138 1.9248 1.9248 1.9591 1.9591 2.5372 2.5372 8.0432 8.0432 8.5857 8.5857 13.0247 13.0247 13.4854 13.4854 13.9205 13.9205 14.3091 14.3091 k = 0.0000 0.5070 0.3870 ( 1352 PWs) bands (ev): -31.5044 -31.5044 -15.8397 -15.8397 -12.6718 -12.6718 -12.3479 -12.3479 -12.1943 -12.1943 -5.7138 -5.7138 1.9248 1.9248 1.9591 1.9591 2.5372 2.5372 8.0432 8.0432 8.5857 8.5857 13.0247 13.0247 13.4854 13.4854 13.9205 13.9205 14.3091 14.3091 k = 0.0056 0.5004 0.3956 ( 1356 PWs) bands (ev): -31.5044 -31.5044 -15.8394 -15.8394 -12.6721 -12.6721 -12.3481 -12.3481 -12.1946 -12.1946 -5.7137 -5.7137 1.9255 1.9255 1.9592 1.9592 2.5372 2.5372 8.0426 8.0426 8.5841 8.5841 13.0263 13.0263 13.4863 13.4863 13.9215 13.9215 14.3095 14.3095 k = 0.0111 0.4939 0.4042 ( 1362 PWs) bands (ev): -31.5043 -31.5043 -15.8386 -15.8386 -12.6727 -12.6727 -12.3487 -12.3487 -12.1956 -12.1956 -5.7133 -5.7133 1.9274 1.9274 1.9594 1.9594 2.5369 2.5369 8.0408 8.0408 8.5795 8.5795 13.0312 13.0312 13.4891 13.4891 13.9244 13.9244 14.3108 14.3108 k = 0.0167 0.4873 0.4128 ( 1358 PWs) bands (ev): -31.5042 -31.5042 -15.8372 -15.8372 -12.6736 -12.6736 -12.3495 -12.3495 -12.1973 -12.1973 -5.7126 -5.7126 1.9306 1.9306 1.9599 1.9599 2.5365 2.5365 8.0379 8.0379 8.5719 8.5719 13.0392 13.0392 13.4938 13.4938 13.9294 13.9294 14.3131 14.3131 k = 0.0222 0.4807 0.4214 ( 1362 PWs) bands (ev): -31.5041 -31.5041 -15.8352 -15.8352 -12.6750 -12.6750 -12.3508 -12.3508 -12.1996 -12.1996 -5.7117 -5.7117 1.9350 1.9350 1.9606 1.9606 2.5359 2.5359 8.0339 8.0339 8.5613 8.5613 13.0502 13.0502 13.5004 13.5004 13.9364 13.9364 14.3162 14.3162 k = 0.0278 0.4742 0.4300 ( 1362 PWs) bands (ev): -31.5039 -31.5039 -15.8327 -15.8327 -12.6767 -12.6767 -12.3524 -12.3524 -12.2025 -12.2025 -5.7105 -5.7105 1.9406 1.9406 1.9615 1.9615 2.5352 2.5352 8.0287 8.0287 8.5479 8.5479 13.0641 13.0641 13.5089 13.5089 13.9456 13.9456 14.3202 14.3202 k = 0.0333 0.4676 0.4386 ( 1362 PWs) bands (ev): -31.5036 -31.5036 -15.8296 -15.8296 -12.6788 -12.6788 -12.3543 -12.3543 -12.2060 -12.2060 -5.7091 -5.7091 1.9474 1.9474 1.9626 1.9626 2.5343 2.5343 8.0224 8.0224 8.5318 8.5318 13.0807 13.0807 13.5193 13.5193 13.9567 13.9567 14.3250 14.3250 k = 0.0389 0.4610 0.4472 ( 1362 PWs) bands (ev): -31.5034 -31.5034 -15.8260 -15.8260 -12.6813 -12.6813 -12.3565 -12.3565 -12.2101 -12.2101 -5.7074 -5.7074 1.9553 1.9553 1.9640 1.9640 2.5333 2.5333 8.0151 8.0151 8.5131 8.5131 13.0996 13.0996 13.5316 13.5316 13.9701 13.9701 14.3305 14.3305 k = 0.0444 0.4545 0.4558 ( 1360 PWs) bands (ev): -31.5030 -31.5030 -15.8219 -15.8219 -12.6842 -12.6842 -12.3591 -12.3591 -12.2147 -12.2147 -5.7055 -5.7055 1.9633 1.9633 1.9666 1.9666 2.5321 2.5321 8.0068 8.0068 8.4920 8.4920 13.1207 13.1207 13.5460 13.5460 13.9856 13.9856 14.3368 14.3368 k = 0.0500 0.4479 0.4644 ( 1358 PWs) bands (ev): -31.5027 -31.5027 -15.8173 -15.8173 -12.6875 -12.6875 -12.3620 -12.3620 -12.2198 -12.2198 -5.7034 -5.7034 1.9664 1.9664 1.9753 1.9753 2.5307 2.5307 7.9976 7.9976 8.4687 8.4687 13.1436 13.1436 13.5624 13.5624 14.0033 14.0033 14.3437 14.3437 k = 0.0556 0.4413 0.4730 ( 1358 PWs) bands (ev): -31.5023 -31.5023 -15.8122 -15.8122 -12.6911 -12.6911 -12.3653 -12.3653 -12.2252 -12.2252 -5.7010 -5.7010 1.9684 1.9684 1.9863 1.9863 2.5292 2.5292 7.9875 7.9875 8.4434 8.4434 13.1678 13.1678 13.5809 13.5809 14.0232 14.0232 14.3513 14.3513 k = 0.0611 0.4348 0.4816 ( 1360 PWs) bands (ev): -31.5019 -31.5019 -15.8067 -15.8067 -12.6952 -12.6952 -12.3690 -12.3690 -12.2311 -12.2311 -5.6985 -5.6985 1.9705 1.9705 1.9984 1.9984 2.5275 2.5275 7.9765 7.9765 8.4162 8.4162 13.1931 13.1931 13.6016 13.6016 14.0454 14.0454 14.3594 14.3594 k = 0.0667 0.4282 0.4902 ( 1358 PWs) bands (ev): -31.5014 -31.5014 -15.8007 -15.8007 -12.6996 -12.6996 -12.3729 -12.3729 -12.2373 -12.2373 -5.6957 -5.6957 1.9727 1.9727 2.0115 2.0115 2.5256 2.5256 7.9648 7.9648 8.3874 8.3874 13.2189 13.2189 13.6247 13.6247 14.0698 14.0698 14.3680 14.3680 k = 0.0722 0.4216 0.4988 ( 1358 PWs) bands (ev): -31.5009 -31.5009 -15.7943 -15.7943 -12.7044 -12.7044 -12.3773 -12.3773 -12.2437 -12.2437 -5.6928 -5.6928 1.9751 1.9751 2.0254 2.0254 2.5236 2.5236 7.9524 7.9524 8.3573 8.3573 13.2448 13.2448 13.6502 13.6502 14.0964 14.0964 14.3770 14.3770 k = 0.0778 0.4151 0.5074 ( 1360 PWs) bands (ev): -31.5004 -31.5004 -15.7874 -15.7874 -12.7095 -12.7095 -12.3821 -12.3821 -12.2502 -12.2502 -5.6897 -5.6897 1.9776 1.9776 2.0401 2.0401 2.5214 2.5214 7.9394 7.9394 8.3259 8.3259 13.2705 13.2705 13.6784 13.6784 14.1252 14.1252 14.3862 14.3862 k = 0.0833 0.4085 0.5160 ( 1360 PWs) bands (ev): -31.4999 -31.4999 -15.7802 -15.7802 -12.7151 -12.7151 -12.3872 -12.3872 -12.2568 -12.2568 -5.6865 -5.6865 1.9804 1.9804 2.0554 2.0554 2.5191 2.5191 7.9259 7.9259 8.2936 8.2936 13.2955 13.2955 13.7092 13.7092 14.1561 14.1561 14.3956 14.3956 k = 0.0889 0.4019 0.5246 ( 1362 PWs) bands (ev): -31.4994 -31.4994 -15.7727 -15.7727 -12.7209 -12.7209 -12.3928 -12.3928 -12.2634 -12.2634 -5.6831 -5.6831 1.9833 1.9833 2.0713 2.0713 2.5166 2.5166 7.9119 7.9119 8.2604 8.2604 13.3195 13.3195 13.7426 13.7426 14.1892 14.1892 14.4050 14.4050 k = 0.0944 0.3954 0.5332 ( 1364 PWs) bands (ev): -31.4988 -31.4988 -15.7649 -15.7649 -12.7271 -12.7271 -12.3988 -12.3988 -12.2699 -12.2699 -5.6796 -5.6796 1.9863 1.9863 2.0878 2.0878 2.5139 2.5139 7.8975 7.8975 8.2267 8.2267 13.3424 13.3424 13.7787 13.7787 14.2243 14.2243 14.4142 14.4142 k = 0.1000 0.3888 0.5418 ( 1364 PWs) bands (ev): -31.4982 -31.4982 -15.7567 -15.7567 -12.7336 -12.7336 -12.4052 -12.4052 -12.2762 -12.2762 -5.6760 -5.6760 1.9895 1.9895 2.1047 2.1047 2.5111 2.5111 7.8828 7.8828 8.1927 8.1927 13.3640 13.3640 13.8171 13.8171 14.2614 14.2614 14.4229 14.4229 k = 0.1056 0.3823 0.5504 ( 1364 PWs) bands (ev): -31.4976 -31.4976 -15.7484 -15.7484 -12.7403 -12.7403 -12.4121 -12.4121 -12.2823 -12.2823 -5.6723 -5.6723 1.9929 1.9929 2.1219 2.1219 2.5082 2.5082 7.8679 7.8679 8.1584 8.1584 13.3841 13.3841 13.8578 13.8578 14.3004 14.3004 14.4306 14.4306 k = 0.1111 0.3757 0.5590 ( 1362 PWs) bands (ev): -31.4970 -31.4970 -15.7398 -15.7398 -12.7473 -12.7473 -12.4193 -12.4193 -12.2881 -12.2881 -5.6685 -5.6685 1.9964 1.9964 2.1395 2.1395 2.5051 2.5051 7.8528 7.8528 8.1242 8.1242 13.4029 13.4029 13.9004 13.9004 14.3412 14.3412 14.4364 14.4364 k = 0.1167 0.3691 0.5676 ( 1362 PWs) bands (ev): -31.4963 -31.4963 -15.7310 -15.7310 -12.7545 -12.7545 -12.4270 -12.4270 -12.2936 -12.2936 -5.6647 -5.6647 2.0000 2.0000 2.1572 2.1572 2.5019 2.5019 7.8377 7.8377 8.0901 8.0901 13.4204 13.4204 13.9445 13.9445 14.3837 14.3837 14.4388 14.4388 k = 0.1222 0.3626 0.5762 ( 1360 PWs) bands (ev): -31.4957 -31.4957 -15.7222 -15.7222 -12.7619 -12.7619 -12.4351 -12.4351 -12.2986 -12.2986 -5.6609 -5.6609 2.0038 2.0038 2.1750 2.1750 2.4986 2.4986 7.8225 7.8225 8.0564 8.0564 13.4365 13.4365 13.9897 13.9897 14.4267 14.4267 14.4363 14.4363 k = 0.1278 0.3560 0.5848 ( 1362 PWs) bands (ev): -31.4951 -31.4951 -15.7132 -15.7132 -12.7695 -12.7695 -12.4435 -12.4435 -12.3034 -12.3034 -5.6570 -5.6570 2.0077 2.0077 2.1927 2.1927 2.4951 2.4951 7.8074 7.8074 8.0231 8.0231 13.4515 13.4515 14.0356 14.0356 14.4220 14.4220 14.4741 14.4741 k = 0.1333 0.3494 0.5934 ( 1364 PWs) bands (ev): -31.4945 -31.4945 -15.7042 -15.7042 -12.7772 -12.7772 -12.4522 -12.4522 -12.3077 -12.3077 -5.6532 -5.6532 2.0116 2.0116 2.2104 2.2104 2.4916 2.4916 7.7925 7.7925 7.9904 7.9904 13.4654 13.4654 14.0819 14.0819 14.4000 14.4000 14.5208 14.5208 k = 0.1389 0.3429 0.6020 ( 1364 PWs) bands (ev): -31.4938 -31.4938 -15.6951 -15.6951 -12.7849 -12.7849 -12.4611 -12.4611 -12.3117 -12.3117 -5.6494 -5.6494 2.0156 2.0156 2.2280 2.2280 2.4880 2.4880 7.7778 7.7778 7.9585 7.9585 13.4782 13.4782 14.1281 14.1281 14.3714 14.3714 14.5535 14.5535 k = 0.1444 0.3363 0.6106 ( 1366 PWs) bands (ev): -31.4932 -31.4932 -15.6861 -15.6861 -12.7927 -12.7927 -12.4701 -12.4701 -12.3153 -12.3153 -5.6456 -5.6456 2.0197 2.0197 2.2452 2.2452 2.4844 2.4844 7.7633 7.7633 7.9274 7.9274 13.4902 13.4902 14.1737 14.1737 14.3394 14.3394 14.5582 14.5583 k = 0.1500 0.3297 0.6192 ( 1366 PWs) bands (ev): -31.4926 -31.4926 -15.6773 -15.6773 -12.8005 -12.8005 -12.4792 -12.4792 -12.3185 -12.3185 -5.6419 -5.6419 2.0239 2.0239 2.2622 2.2622 2.4806 2.4806 7.7492 7.7492 7.8974 7.8974 13.5013 13.5013 14.2184 14.2184 14.3064 14.3064 14.5644 14.5644 k = 0.1556 0.3232 0.6278 ( 1372 PWs) bands (ev): -31.4920 -31.4920 -15.6685 -15.6685 -12.8083 -12.8083 -12.4883 -12.4883 -12.3215 -12.3215 -5.6383 -5.6383 2.0280 2.0280 2.2787 2.2787 2.4769 2.4769 7.7355 7.7355 7.8685 7.8685 13.5116 13.5116 14.2608 14.2608 14.2746 14.2746 14.5715 14.5715 k = 0.1611 0.3166 0.6364 ( 1370 PWs) bands (ev): -31.4914 -31.4914 -15.6599 -15.6599 -12.8159 -12.8159 -12.4972 -12.4972 -12.3241 -12.3241 -5.6347 -5.6347 2.0322 2.0322 2.2947 2.2947 2.4731 2.4731 7.7222 7.7222 7.8408 7.8408 13.5212 13.5212 14.2407 14.2407 14.3046 14.3046 14.5793 14.5793 k = 0.1667 0.3100 0.6450 ( 1368 PWs) bands (ev): -31.4909 -31.4909 -15.6515 -15.6515 -12.8233 -12.8233 -12.5059 -12.5059 -12.3264 -12.3264 -5.6313 -5.6313 2.0363 2.0363 2.3101 2.3101 2.4694 2.4694 7.7095 7.7095 7.8144 7.8144 13.5301 13.5301 14.2098 14.2098 14.3449 14.3449 14.5873 14.5873 k = 0.1722 0.3035 0.6536 ( 1366 PWs) bands (ev): -31.4903 -31.4903 -15.6434 -15.6434 -12.8306 -12.8306 -12.5145 -12.5145 -12.3284 -12.3284 -5.6280 -5.6280 2.0404 2.0404 2.3249 2.3249 2.4657 2.4657 7.6973 7.6973 7.7894 7.7894 13.5383 13.5383 14.1802 14.1802 14.3834 14.3834 14.5953 14.5953 k = 0.1778 0.2969 0.6622 ( 1364 PWs) bands (ev): -31.4898 -31.4898 -15.6357 -15.6357 -12.8376 -12.8376 -12.5227 -12.5227 -12.3303 -12.3303 -5.6249 -5.6249 2.0443 2.0443 2.3389 2.3389 2.4620 2.4620 7.6858 7.6858 7.7658 7.7658 13.5459 13.5459 14.1522 14.1522 14.4198 14.4198 14.6030 14.6030 k = 0.1833 0.2903 0.6708 ( 1362 PWs) bands (ev): -31.4893 -31.4893 -15.6283 -15.6283 -12.8443 -12.8443 -12.5305 -12.5305 -12.3319 -12.3319 -5.6219 -5.6219 2.0482 2.0482 2.3522 2.3522 2.4585 2.4585 7.6748 7.6748 7.7438 7.7438 13.5529 13.5529 14.1259 14.1259 14.4538 14.4538 14.6104 14.6105 k = 0.1889 0.2838 0.6794 ( 1364 PWs) bands (ev): -31.4889 -31.4889 -15.6212 -15.6212 -12.8508 -12.8508 -12.5380 -12.5380 -12.3334 -12.3334 -5.6191 -5.6191 2.0520 2.0520 2.3647 2.3647 2.4550 2.4550 7.6646 7.6646 7.7234 7.7234 13.5593 13.5593 14.1014 14.1014 14.4856 14.4856 14.6175 14.6175 k = 0.1944 0.2772 0.6880 ( 1364 PWs) bands (ev): -31.4885 -31.4885 -15.6147 -15.6147 -12.8568 -12.8568 -12.5450 -12.5450 -12.3346 -12.3346 -5.6165 -5.6165 2.0555 2.0555 2.3762 2.3762 2.4517 2.4517 7.6550 7.6550 7.7047 7.7047 13.5651 13.5651 14.0787 14.0787 14.5148 14.5148 14.6241 14.6241 k = 0.2000 0.2707 0.6966 ( 1366 PWs) bands (ev): -31.4881 -31.4881 -15.6086 -15.6086 -12.8624 -12.8624 -12.5515 -12.5515 -12.3357 -12.3357 -5.6141 -5.6141 2.0589 2.0589 2.3868 2.3868 2.4487 2.4487 7.6461 7.6461 7.6878 7.6878 13.5704 13.5704 14.0581 14.0581 14.5414 14.5414 14.6301 14.6301 k = 0.2056 0.2641 0.7052 ( 1364 PWs) bands (ev): -31.4877 -31.4877 -15.6031 -15.6031 -12.8675 -12.8675 -12.5573 -12.5573 -12.3366 -12.3366 -5.6119 -5.6119 2.0620 2.0620 2.3965 2.3965 2.4458 2.4458 7.6380 7.6380 7.6726 7.6726 13.5751 13.5751 14.0395 14.0395 14.5654 14.5654 14.6357 14.6357 k = 0.2111 0.2575 0.7138 ( 1366 PWs) bands (ev): -31.4874 -31.4874 -15.5981 -15.5981 -12.8722 -12.8722 -12.5626 -12.5626 -12.3374 -12.3374 -5.6100 -5.6100 2.0648 2.0648 2.4050 2.4050 2.4432 2.4432 7.6305 7.6305 7.6594 7.6594 13.5792 13.5792 14.0229 14.0229 14.5866 14.5866 14.6406 14.6406 k = 0.2167 0.2510 0.7224 ( 1368 PWs) bands (ev): -31.4871 -31.4871 -15.5937 -15.5937 -12.8763 -12.8763 -12.5673 -12.5673 -12.3381 -12.3381 -5.6083 -5.6083 2.0673 2.0673 2.4125 2.4125 2.4408 2.4408 7.6237 7.6237 7.6481 7.6481 13.5828 13.5828 14.0085 14.0085 14.6052 14.6052 14.6449 14.6449 k = 0.2222 0.2444 0.7310 ( 1374 PWs) bands (ev): -31.4869 -31.4869 -15.5899 -15.5899 -12.8799 -12.8799 -12.5713 -12.5713 -12.3387 -12.3387 -5.6068 -5.6068 2.0695 2.0695 2.4189 2.4189 2.4388 2.4388 7.6177 7.6177 7.6388 7.6388 13.5858 13.5858 13.9962 13.9962 14.6210 14.6210 14.6486 14.6486 k = 0.2278 0.2378 0.7396 ( 1374 PWs) bands (ev): -31.4867 -31.4867 -15.5868 -15.5868 -12.8828 -12.8828 -12.5746 -12.5746 -12.3392 -12.3392 -5.6056 -5.6056 2.0714 2.0714 2.4242 2.4242 2.4371 2.4371 7.6124 7.6124 7.6314 7.6314 13.5883 13.5883 13.9861 13.9861 14.6340 14.6340 14.6516 14.6516 k = 0.2333 0.2313 0.7482 ( 1376 PWs) bands (ev): -31.4866 -31.4866 -15.5844 -15.5844 -12.8851 -12.8851 -12.5772 -12.5772 -12.3395 -12.3395 -5.6047 -5.6047 2.0728 2.0728 2.4282 2.4282 2.4358 2.4358 7.6080 7.6080 7.6260 7.6260 13.5902 13.5902 13.9782 13.9782 14.6441 14.6441 14.6540 14.6540 k = 0.2389 0.2247 0.7568 ( 1378 PWs) bands (ev): -31.4865 -31.4865 -15.5826 -15.5826 -12.8868 -12.8868 -12.5791 -12.5791 -12.3398 -12.3398 -5.6040 -5.6040 2.0739 2.0739 2.4309 2.4309 2.4351 2.4351 7.6047 7.6047 7.6222 7.6222 13.5915 13.5915 13.9726 13.9726 14.6512 14.6512 14.6557 14.6557 k = 0.2444 0.2181 0.7654 ( 1378 PWs) bands (ev): -31.4864 -31.4864 -15.5816 -15.5816 -12.8878 -12.8878 -12.5802 -12.5802 -12.3399 -12.3399 -5.6036 -5.6036 2.0745 2.0745 2.4322 2.4322 2.4350 2.4350 7.6026 7.6026 7.6201 7.6201 13.5924 13.5924 13.9692 13.9692 14.6556 14.6556 14.6568 14.6568 k = 0.2500 0.2116 0.7740 ( 1384 PWs) bands (ev): -31.4864 -31.4864 -15.5812 -15.5812 -12.8881 -12.8881 -12.5806 -12.5806 -12.3400 -12.3400 -5.6035 -5.6035 2.0747 2.0747 2.4325 2.4325 2.4351 2.4351 7.6019 7.6019 7.6193 7.6193 13.5926 13.5926 13.9681 13.9681 14.6569 14.6569 14.6572 14.6572 k = 0.2500 0.2116 0.7740 ( 1384 PWs) bands (ev): -31.4864 -31.4864 -15.5812 -15.5812 -12.8881 -12.8881 -12.5806 -12.5806 -12.3400 -12.3400 -5.6035 -5.6035 2.0747 2.0747 2.4325 2.4325 2.4351 2.4351 7.6019 7.6019 7.6193 7.6193 13.5926 13.5926 13.9681 13.9681 14.6569 14.6569 14.6572 14.6572 k = 0.2571 0.2176 0.7661 ( 1376 PWs) bands (ev): -31.4864 -31.4864 -15.5813 -15.5813 -12.8880 -12.8880 -12.5804 -12.5804 -12.3402 -12.3402 -5.6029 -5.6029 2.0736 2.0736 2.4167 2.4167 2.4511 2.4511 7.5463 7.5463 7.6754 7.6754 13.5951 13.5951 13.9688 13.9688 14.6490 14.6490 14.6653 14.6653 k = 0.2643 0.2237 0.7582 ( 1374 PWs) bands (ev): -31.4864 -31.4864 -15.5814 -15.5814 -12.8877 -12.8877 -12.5798 -12.5798 -12.3410 -12.3410 -5.6011 -5.6011 2.0701 2.0701 2.4004 2.4004 2.4681 2.4681 7.4838 7.4838 7.7392 7.7392 13.6025 13.6025 13.9706 13.9706 14.6416 14.6416 14.6728 14.6728 k = 0.2714 0.2297 0.7502 ( 1374 PWs) bands (ev): -31.4865 -31.4865 -15.5816 -15.5816 -12.8873 -12.8873 -12.5790 -12.5790 -12.3422 -12.3422 -5.5983 -5.5983 2.0645 2.0645 2.3846 2.3846 2.4849 2.4849 7.4221 7.4221 7.8031 7.8031 13.6148 13.6148 13.9738 13.9738 14.6351 14.6351 14.6796 14.6796 k = 0.2786 0.2358 0.7423 ( 1374 PWs) bands (ev): -31.4865 -31.4865 -15.5819 -15.5819 -12.8867 -12.8867 -12.5777 -12.5777 -12.3440 -12.3440 -5.5943 -5.5943 2.0568 2.0568 2.3695 2.3695 2.5013 2.5013 7.3617 7.3617 7.8667 7.8667 13.6318 13.6318 13.9785 13.9785 14.6294 14.6294 14.6856 14.6856 k = 0.2857 0.2418 0.7344 ( 1374 PWs) bands (ev): -31.4866 -31.4866 -15.5823 -15.5823 -12.8860 -12.8860 -12.5762 -12.5762 -12.3463 -12.3463 -5.5893 -5.5893 2.0472 2.0472 2.3551 2.3551 2.5173 2.5173 7.3027 7.3027 7.9299 7.9299 13.6535 13.6535 13.9848 13.9848 14.6246 14.6246 14.6910 14.6910 k = 0.2929 0.2478 0.7265 ( 1376 PWs) bands (ev): -31.4867 -31.4867 -15.5827 -15.5827 -12.8852 -12.8852 -12.5743 -12.5743 -12.3491 -12.3491 -5.5833 -5.5833 2.0357 2.0357 2.3413 2.3413 2.5328 2.5328 7.2454 7.2454 7.9926 7.9926 13.6798 13.6798 13.9926 13.9926 14.6207 14.6207 14.6954 14.6954 k = 0.3000 0.2539 0.7186 ( 1370 PWs) bands (ev): -31.4868 -31.4868 -15.5832 -15.5832 -12.8843 -12.8843 -12.5720 -12.5720 -12.3522 -12.3522 -5.5763 -5.5763 2.0225 2.0225 2.3282 2.3282 2.5479 2.5479 7.1900 7.1900 8.0546 8.0546 13.7104 13.7104 14.0023 14.0023 14.6178 14.6178 14.6992 14.6992 k = 0.3071 0.2599 0.7106 ( 1370 PWs) bands (ev): -31.4869 -31.4869 -15.5838 -15.5838 -12.8833 -12.8833 -12.5695 -12.5695 -12.3559 -12.3559 -5.5685 -5.5685 2.0077 2.0077 2.3158 2.3158 2.5624 2.5624 7.1367 7.1367 8.1157 8.1157 13.7451 13.7451 14.0140 14.0140 14.6158 14.6158 14.7021 14.7021 k = 0.3143 0.2660 0.7027 ( 1367 PWs) bands (ev): -31.4870 -31.4870 -15.5844 -15.5844 -12.8823 -12.8823 -12.5666 -12.5666 -12.3599 -12.3599 -5.5598 -5.5598 1.9915 1.9915 2.3041 2.3041 2.5763 2.5763 7.0856 7.0856 8.1758 8.1758 13.7834 13.7834 14.0278 14.0278 14.6147 14.6147 14.7042 14.7042 k = 0.3214 0.2720 0.6948 ( 1363 PWs) bands (ev): -31.4871 -31.4871 -15.5851 -15.5851 -12.8812 -12.8812 -12.5635 -12.5635 -12.3643 -12.3643 -5.5505 -5.5505 1.9739 1.9739 2.2932 2.2932 2.5896 2.5896 7.0370 7.0370 8.2348 8.2348 13.8247 13.8247 14.0443 14.0443 14.6145 14.6145 14.7056 14.7056 k = 0.3286 0.2781 0.6869 ( 1363 PWs) bands (ev): -31.4873 -31.4873 -15.5858 -15.5858 -12.8801 -12.8801 -12.5601 -12.5601 -12.3690 -12.3690 -5.5405 -5.5405 1.9553 1.9553 2.2830 2.2830 2.6022 2.6022 6.9911 6.9911 8.2926 8.2926 13.8681 13.8681 14.0642 14.0642 14.6152 14.6152 14.7061 14.7061 k = 0.3357 0.2841 0.6790 ( 1367 PWs) bands (ev): -31.4874 -31.4874 -15.5866 -15.5866 -12.8790 -12.8790 -12.5565 -12.5565 -12.3740 -12.3740 -5.5300 -5.5300 1.9356 1.9356 2.2735 2.2735 2.6141 2.6141 6.9479 6.9479 8.3489 8.3489 13.9123 13.9123 14.0885 14.0885 14.6165 14.6165 14.7058 14.7058 k = 0.3429 0.2902 0.6710 ( 1365 PWs) bands (ev): -31.4876 -31.4876 -15.5875 -15.5875 -12.8778 -12.8778 -12.5527 -12.5527 -12.3791 -12.3791 -5.5191 -5.5191 1.9152 1.9152 2.2647 2.2647 2.6252 2.6252 6.9078 6.9078 8.4037 8.4037 13.9554 13.9554 14.1191 14.1191 14.6185 14.6185 14.7048 14.7048 k = 0.3500 0.2962 0.6631 ( 1365 PWs) bands (ev): -31.4877 -31.4877 -15.5884 -15.5884 -12.8767 -12.8767 -12.5487 -12.5487 -12.3843 -12.3843 -5.5078 -5.5078 1.8943 1.8943 2.2567 2.2567 2.6355 2.6355 6.8709 6.8709 8.4569 8.4569 13.9951 13.9951 14.1577 14.1577 14.6208 14.6208 14.7030 14.7030 k = 0.3571 0.3022 0.6552 ( 1365 PWs) bands (ev): -31.4879 -31.4879 -15.5894 -15.5894 -12.8756 -12.8756 -12.5447 -12.5447 -12.3896 -12.3896 -5.4963 -5.4963 1.8729 1.8729 2.2494 2.2494 2.6449 2.6449 6.8373 6.8373 8.5083 8.5083 14.0303 14.0303 14.2052 14.2052 14.6232 14.6233 14.7004 14.7004 k = 0.3643 0.3083 0.6473 ( 1363 PWs) bands (ev): -31.4881 -31.4881 -15.5904 -15.5904 -12.8745 -12.8745 -12.5407 -12.5407 -12.3948 -12.3948 -5.4847 -5.4847 1.8513 1.8513 2.2429 2.2429 2.6534 2.6534 6.8073 6.8073 8.5579 8.5579 14.0611 14.0611 14.2613 14.2613 14.6253 14.6253 14.6972 14.6972 k = 0.3714 0.3143 0.6394 ( 1359 PWs) bands (ev): -31.4883 -31.4883 -15.5915 -15.5915 -12.8734 -12.8734 -12.5367 -12.5367 -12.3998 -12.3998 -5.4731 -5.4731 1.8297 1.8297 2.2371 2.2371 2.6608 2.6608 6.7808 6.7808 8.6055 8.6055 14.0887 14.0887 14.3243 14.3243 14.6263 14.6263 14.6933 14.6933 k = 0.3786 0.3204 0.6315 ( 1353 PWs) bands (ev): -31.4884 -31.4884 -15.5927 -15.5927 -12.8723 -12.8723 -12.5328 -12.5328 -12.4045 -12.4045 -5.4617 -5.4617 1.8084 1.8084 2.2321 2.2321 2.6672 2.6672 6.7582 6.7582 8.6510 8.6510 14.1144 14.1144 14.3925 14.3925 14.6252 14.6252 14.6890 14.6890 k = 0.3857 0.3264 0.6235 ( 1352 PWs) bands (ev): -31.4886 -31.4886 -15.5939 -15.5939 -12.8713 -12.8713 -12.5293 -12.5293 -12.4087 -12.4087 -5.4504 -5.4504 1.7874 1.7874 2.2277 2.2277 2.6725 2.6725 6.7395 6.7395 8.6944 8.6944 14.1386 14.1386 14.4645 14.4645 14.6202 14.6202 14.6845 14.6845 k = 0.3929 0.3325 0.6156 ( 1352 PWs) bands (ev): -31.4888 -31.4888 -15.5952 -15.5952 -12.8703 -12.8703 -12.5263 -12.5263 -12.4123 -12.4123 -5.4395 -5.4395 1.7670 1.7670 2.2242 2.2242 2.6766 2.6766 6.7248 6.7248 8.7355 8.7355 14.1620 14.1620 14.5379 14.5379 14.6089 14.6090 14.6810 14.6810 k = 0.4000 0.3385 0.6077 ( 1355 PWs) bands (ev): -31.4890 -31.4890 -15.5966 -15.5966 -12.8694 -12.8694 -12.5238 -12.5238 -12.4152 -12.4152 -5.4291 -5.4291 1.7474 1.7474 2.2214 2.2214 2.6795 2.6795 6.7142 6.7142 8.7742 8.7742 14.1848 14.1848 14.5859 14.5859 14.6086 14.6086 14.6849 14.6849 k = 0.4071 0.3446 0.5998 ( 1353 PWs) bands (ev): -31.4892 -31.4892 -15.5981 -15.5981 -12.8685 -12.8685 -12.5219 -12.5219 -12.4171 -12.4171 -5.4192 -5.4192 1.7287 1.7287 2.2193 2.2193 2.6812 2.6812 6.7079 6.7079 8.8106 8.8106 14.2071 14.2071 14.5565 14.5565 14.6391 14.6391 14.7264 14.7264 k = 0.4143 0.3506 0.5919 ( 1355 PWs) bands (ev): -31.4894 -31.4894 -15.5996 -15.5996 -12.8677 -12.8677 -12.5208 -12.5208 -12.4180 -12.4180 -5.4100 -5.4100 1.7112 1.7112 2.2179 2.2179 2.6817 2.6817 6.7058 6.7058 8.8446 8.8446 14.2289 14.2289 14.5160 14.5160 14.6385 14.6385 14.7925 14.7926 k = 0.4214 0.3566 0.5839 ( 1358 PWs) bands (ev): -31.4897 -31.4897 -15.6012 -15.6012 -12.8669 -12.8669 -12.5205 -12.5205 -12.4179 -12.4179 -5.4015 -5.4015 1.6950 1.6950 2.2173 2.2173 2.6810 2.6810 6.7079 6.7079 8.8761 8.8761 14.2501 14.2501 14.4678 14.4678 14.6308 14.6308 14.7925 14.7925 k = 0.4286 0.3627 0.5760 ( 1360 PWs) bands (ev): -31.4899 -31.4899 -15.6029 -15.6029 -12.8661 -12.8661 -12.5209 -12.5209 -12.4167 -12.4167 -5.3940 -5.3940 1.6802 1.6802 2.2174 2.2174 2.6790 2.6790 6.7144 6.7144 8.9051 8.9051 14.2706 14.2706 14.4142 14.4142 14.6205 14.6205 14.7940 14.7940 k = 0.4357 0.3687 0.5681 ( 1358 PWs) bands (ev): -31.4901 -31.4901 -15.6047 -15.6047 -12.8653 -12.8653 -12.5219 -12.5219 -12.4144 -12.4144 -5.3873 -5.3873 1.6671 1.6671 2.2182 2.2182 2.6758 2.6758 6.7252 6.7252 8.9315 8.9315 14.2902 14.2902 14.3569 14.3569 14.6088 14.6088 14.7977 14.7977 k = 0.4429 0.3748 0.5602 ( 1358 PWs) bands (ev): -31.4903 -31.4903 -15.6066 -15.6066 -12.8645 -12.8645 -12.5235 -12.5235 -12.4113 -12.4113 -5.3817 -5.3817 1.6556 1.6556 2.2197 2.2197 2.6714 2.6714 6.7403 6.7403 8.9554 8.9554 14.2933 14.2933 14.3124 14.3124 14.5956 14.5956 14.8027 14.8027 k = 0.4500 0.3808 0.5523 ( 1360 PWs) bands (ev): -31.4906 -31.4906 -15.6086 -15.6086 -12.8637 -12.8637 -12.5254 -12.5254 -12.4075 -12.4075 -5.3772 -5.3772 1.6460 1.6460 2.2220 2.2220 2.6659 2.6659 6.7596 6.7596 8.9767 8.9767 14.2326 14.2326 14.3285 14.3285 14.5813 14.5813 14.8083 14.8083 k = 0.4571 0.3869 0.5443 ( 1362 PWs) bands (ev): -31.4908 -31.4908 -15.6107 -15.6107 -12.8629 -12.8629 -12.5275 -12.5275 -12.4032 -12.4032 -5.3738 -5.3738 1.6383 1.6383 2.2249 2.2249 2.6593 2.6593 6.7831 6.7831 8.9955 8.9955 14.1685 14.1685 14.3454 14.3454 14.5657 14.5657 14.8139 14.8139 k = 0.4643 0.3929 0.5364 ( 1360 PWs) bands (ev): -31.4911 -31.4911 -15.6129 -15.6129 -12.8620 -12.8620 -12.5296 -12.5296 -12.3984 -12.3984 -5.3717 -5.3717 1.6326 1.6326 2.2286 2.2286 2.6517 2.6517 6.8107 6.8107 9.0117 9.0117 14.1031 14.1031 14.3612 14.3612 14.5490 14.5490 14.8193 14.8193 k = 0.4714 0.3990 0.5285 ( 1364 PWs) bands (ev): -31.4914 -31.4914 -15.6152 -15.6152 -12.8612 -12.8612 -12.5316 -12.5316 -12.3934 -12.3934 -5.3707 -5.3707 1.6289 1.6289 2.2329 2.2329 2.6431 2.6431 6.8422 6.8422 9.0254 9.0254 14.0368 14.0368 14.3756 14.3756 14.5309 14.5309 14.8241 14.8241 k = 0.4786 0.4050 0.5206 ( 1364 PWs) bands (ev): -31.4916 -31.4916 -15.6176 -15.6176 -12.8602 -12.8602 -12.5335 -12.5335 -12.3880 -12.3880 -5.3711 -5.3711 1.6273 1.6273 2.2379 2.2379 2.6337 2.6337 6.8776 6.8776 9.0365 9.0365 13.9698 13.9698 14.3888 14.3888 14.5117 14.5117 14.8283 14.8283 k = 0.4857 0.4111 0.5127 ( 1364 PWs) bands (ev): -31.4919 -31.4919 -15.6201 -15.6201 -12.8591 -12.8591 -12.5351 -12.5351 -12.3826 -12.3826 -5.3727 -5.3727 1.6278 1.6278 2.2436 2.2436 2.6235 2.6235 6.9166 6.9166 9.0452 9.0452 13.9023 13.9023 14.4004 14.4004 14.4912 14.4912 14.8316 14.8316 k = 0.4929 0.4171 0.5047 ( 1364 PWs) bands (ev): -31.4922 -31.4922 -15.6226 -15.6226 -12.8580 -12.8580 -12.5364 -12.5364 -12.3771 -12.3771 -5.3756 -5.3756 1.6305 1.6305 2.2500 2.2500 2.6126 2.6126 6.9591 6.9591 9.0515 9.0515 13.8346 13.8346 14.4103 14.4103 14.4695 14.4695 14.8341 14.8341 k = 0.5000 0.4231 0.4968 ( 1364 PWs) bands (ev): -31.4926 -31.4926 -15.6253 -15.6253 -12.8567 -12.8567 -12.5374 -12.5374 -12.3716 -12.3716 -5.3797 -5.3797 1.6353 1.6353 2.2571 2.2571 2.6012 2.6012 7.0049 7.0049 9.0554 9.0554 13.7667 13.7667 14.4182 14.4182 14.4468 14.4468 14.8356 14.8356 k = 0.5000 0.4231 0.4968 ( 1364 PWs) bands (ev): -31.4926 -31.4926 -15.6253 -15.6253 -12.8567 -12.8567 -12.5374 -12.5374 -12.3716 -12.3716 -5.3797 -5.3797 1.6353 1.6353 2.2571 2.2571 2.6012 2.6012 7.0049 7.0049 9.0554 9.0554 13.7667 13.7667 14.4182 14.4182 14.4468 14.4468 14.8356 14.8356 k = 0.5000 0.4231 0.4847 ( 1364 PWs) bands (ev): -31.4931 -31.4931 -15.6293 -15.6293 -12.8548 -12.8548 -12.5386 -12.5386 -12.3633 -12.3633 -5.3871 -5.3871 1.6444 1.6444 2.2686 2.2686 2.5839 2.5839 7.0782 7.0782 9.0595 9.0595 13.6626 13.6626 14.4110 14.4110 14.4276 14.4276 14.8371 14.8371 k = 0.5000 0.4231 0.4726 ( 1360 PWs) bands (ev): -31.4936 -31.4936 -15.6328 -15.6328 -12.8531 -12.8531 -12.5398 -12.5398 -12.3554 -12.3554 -5.3944 -5.3944 1.6540 1.6540 2.2805 2.2805 2.5678 2.5678 7.1531 7.1531 9.0637 9.0637 13.5577 13.5577 14.3767 14.3767 14.4329 14.4329 14.8389 14.8389 k = 0.5000 0.4231 0.4605 ( 1366 PWs) bands (ev): -31.4941 -31.4941 -15.6358 -15.6358 -12.8519 -12.8519 -12.5410 -12.5410 -12.3481 -12.3481 -5.4016 -5.4016 1.6640 1.6640 2.2929 2.2929 2.5532 2.5532 7.2293 7.2293 9.0679 9.0679 13.4522 13.4522 14.3429 14.3429 14.4352 14.4352 14.8409 14.8409 k = 0.5000 0.4231 0.4484 ( 1366 PWs) bands (ev): -31.4947 -31.4947 -15.6383 -15.6383 -12.8509 -12.8509 -12.5421 -12.5421 -12.3414 -12.3414 -5.4089 -5.4089 1.6745 1.6745 2.3058 2.3058 2.5400 2.5400 7.3066 7.3066 9.0721 9.0721 13.3463 13.3463 14.3102 14.3102 14.4345 14.4345 14.8430 14.8430 k = 0.5000 0.4231 0.4362 ( 1364 PWs) bands (ev): -31.4952 -31.4952 -15.6403 -15.6403 -12.8502 -12.8502 -12.5430 -12.5430 -12.3352 -12.3352 -5.4160 -5.4160 1.6856 1.6856 2.3190 2.3190 2.5283 2.5283 7.3848 7.3848 9.0764 9.0764 13.2402 13.2402 14.2788 14.2788 14.4307 14.4307 14.8453 14.8453 k = 0.5000 0.4231 0.4241 ( 1364 PWs) bands (ev): -31.4958 -31.4958 -15.6418 -15.6418 -12.8499 -12.8499 -12.5439 -12.5439 -12.3299 -12.3299 -5.4230 -5.4230 1.6972 1.6972 2.3327 2.3327 2.5181 2.5181 7.4638 7.4638 9.0806 9.0806 13.1342 13.1342 14.2487 14.2487 14.4242 14.4242 14.8479 14.8479 k = 0.5000 0.4231 0.4120 ( 1364 PWs) bands (ev): -31.4964 -31.4964 -15.6427 -15.6427 -12.8500 -12.8500 -12.5446 -12.5446 -12.3252 -12.3252 -5.4299 -5.4299 1.7093 1.7093 2.3468 2.3468 2.5096 2.5096 7.5432 7.5432 9.0849 9.0849 13.0284 13.0284 14.2204 14.2204 14.4149 14.4149 14.8506 14.8506 k = 0.5000 0.4231 0.3999 ( 1360 PWs) bands (ev): -31.4970 -31.4970 -15.6431 -15.6431 -12.8504 -12.8504 -12.5451 -12.5451 -12.3214 -12.3214 -5.4366 -5.4366 1.7220 1.7220 2.3612 2.3612 2.5026 2.5026 7.6228 7.6228 9.0891 9.0891 12.9230 12.9230 14.1941 14.1941 14.4033 14.4033 14.8535 14.8535 k = 0.5000 0.4231 0.3878 ( 1360 PWs) bands (ev): -31.4976 -31.4976 -15.6429 -15.6429 -12.8511 -12.8511 -12.5455 -12.5455 -12.3183 -12.3183 -5.4432 -5.4432 1.7353 1.7353 2.3759 2.3759 2.4972 2.4972 7.7024 7.7024 9.0932 9.0932 12.8183 12.8183 14.1697 14.1697 14.3892 14.3892 14.8566 14.8566 k = 0.5000 0.4231 0.3757 ( 1360 PWs) bands (ev): -31.4981 -31.4981 -15.6421 -15.6421 -12.8522 -12.8522 -12.5457 -12.5457 -12.3162 -12.3162 -5.4497 -5.4497 1.7491 1.7491 2.3909 2.3909 2.4935 2.4935 7.7818 7.7818 9.0974 9.0974 12.7142 12.7142 14.1476 14.1476 14.3730 14.3730 14.8598 14.8598 k = 0.5000 0.4231 0.3635 ( 1370 PWs) bands (ev): -31.4988 -31.4988 -15.6408 -15.6408 -12.8537 -12.8537 -12.5459 -12.5459 -12.3149 -12.3149 -5.4559 -5.4559 1.7635 1.7635 2.4061 2.4061 2.4913 2.4913 7.8607 7.8607 9.1014 9.1014 12.6109 12.6109 14.1279 14.1279 14.3549 14.3549 14.8632 14.8632 k = 0.5000 0.4231 0.3514 ( 1372 PWs) bands (ev): -31.4994 -31.4994 -15.6389 -15.6389 -12.8555 -12.8555 -12.5458 -12.5458 -12.3145 -12.3145 -5.4620 -5.4620 1.7784 1.7784 2.4216 2.4216 2.4907 2.4907 7.9389 7.9389 9.1055 9.1055 12.5089 12.5089 14.1110 14.1110 14.3349 14.3349 14.8668 14.8668 k = 0.5000 0.4231 0.3393 ( 1380 PWs) bands (ev): -31.5000 -31.5000 -15.6364 -15.6364 -12.8576 -12.8576 -12.5456 -12.5456 -12.3148 -12.3148 -5.4678 -5.4678 1.7939 1.7939 2.4371 2.4371 2.4918 2.4918 8.0162 8.0162 9.1094 9.1094 12.4083 12.4083 14.0969 14.0969 14.3130 14.3130 14.8705 14.8705 k = 0.5000 0.4231 0.3272 ( 1376 PWs) bands (ev): -31.5006 -31.5006 -15.6334 -15.6334 -12.8599 -12.8599 -12.5452 -12.5452 -12.3160 -12.3160 -5.4734 -5.4734 1.8098 1.8098 2.4526 2.4526 2.4945 2.4945 8.0923 8.0923 9.1133 9.1133 12.3092 12.3092 14.0860 14.0860 14.2896 14.2896 14.8745 14.8745 k = 0.5000 0.4231 0.3151 ( 1376 PWs) bands (ev): -31.5012 -31.5012 -15.6300 -15.6300 -12.8625 -12.8625 -12.5447 -12.5447 -12.3179 -12.3179 -5.4788 -5.4788 1.8262 1.8262 2.4678 2.4678 2.4991 2.4991 8.1669 8.1669 9.1170 9.1170 12.2118 12.2118 14.0782 14.0782 14.2646 14.2646 14.8785 14.8785 k = 0.5000 0.4231 0.3029 ( 1380 PWs) bands (ev): -31.5018 -31.5018 -15.6260 -15.6260 -12.8653 -12.8653 -12.5442 -12.5442 -12.3205 -12.3205 -5.4840 -5.4840 1.8429 1.8429 2.4822 2.4822 2.5059 2.5059 8.2399 8.2399 9.1207 9.1207 12.1162 12.1162 14.0738 14.0738 14.2379 14.2379 14.8826 14.8826 k = 0.5000 0.4231 0.2908 ( 1380 PWs) bands (ev): -31.5024 -31.5024 -15.6216 -15.6216 -12.8684 -12.8684 -12.5436 -12.5436 -12.3238 -12.3238 -5.4890 -5.4890 1.8599 1.8599 2.4953 2.4953 2.5154 2.5154 8.3111 8.3111 9.1243 9.1243 12.0227 12.0227 14.0728 14.0728 14.2097 14.2097 14.8869 14.8869 k = 0.5000 0.4231 0.2787 ( 1384 PWs) bands (ev): -31.5029 -31.5029 -15.6168 -15.6168 -12.8716 -12.8716 -12.5430 -12.5430 -12.3278 -12.3278 -5.4937 -5.4937 1.8770 1.8770 2.5068 2.5068 2.5278 2.5278 8.3802 8.3802 9.1278 9.1278 11.9312 11.9312 14.0754 14.0754 14.1799 14.1799 14.8912 14.8912 k = 0.5000 0.4231 0.2666 ( 1384 PWs) bands (ev): -31.5035 -31.5035 -15.6116 -15.6116 -12.8750 -12.8750 -12.5424 -12.5424 -12.3322 -12.3322 -5.4982 -5.4982 1.8943 1.8943 2.5175 2.5175 2.5421 2.5421 8.4470 8.4470 9.1312 9.1312 11.8423 11.8423 14.0817 14.0817 14.1485 14.1485 14.8955 14.8955 k = 0.5000 0.4231 0.2545 ( 1384 PWs) bands (ev): -31.5041 -31.5041 -15.6061 -15.6061 -12.8785 -12.8785 -12.5419 -12.5419 -12.3370 -12.3370 -5.5024 -5.5024 1.9115 1.9115 2.5283 2.5283 2.5572 2.5572 8.5114 8.5114 9.1344 9.1344 11.7559 11.7559 14.0917 14.0917 14.1155 14.1155 14.8999 14.8999 k = 0.5000 0.4231 0.2424 ( 1384 PWs) bands (ev): -31.5046 -31.5046 -15.6003 -15.6003 -12.8821 -12.8821 -12.5414 -12.5414 -12.3423 -12.3423 -5.5065 -5.5065 1.9286 1.9286 2.5397 2.5397 2.5727 2.5727 8.5731 8.5731 9.1376 9.1376 11.6722 11.6722 14.0808 14.0808 14.1054 14.1054 14.9043 14.9043 k = 0.5000 0.4231 0.2302 ( 1384 PWs) bands (ev): -31.5051 -31.5051 -15.5943 -15.5943 -12.8858 -12.8858 -12.5410 -12.5410 -12.3478 -12.3478 -5.5102 -5.5102 1.9454 1.9454 2.5518 2.5518 2.5883 2.5883 8.6321 8.6321 9.1406 9.1406 11.5914 11.5914 14.0445 14.0445 14.1229 14.1229 14.9087 14.9088 k = 0.5000 0.4231 0.2181 ( 1390 PWs) bands (ev): -31.5057 -31.5057 -15.5881 -15.5881 -12.8895 -12.8895 -12.5408 -12.5408 -12.3536 -12.3536 -5.5138 -5.5138 1.9619 1.9619 2.5645 2.5645 2.6037 2.6037 8.6882 8.6882 9.1435 9.1435 11.5136 11.5136 14.0065 14.0065 14.1440 14.1440 14.8886 14.8908 k = 0.5000 0.4231 0.2060 ( 1386 PWs) bands (ev): -31.5061 -31.5061 -15.5817 -15.5817 -12.8932 -12.8932 -12.5407 -12.5407 -12.3593 -12.3593 -5.5171 -5.5171 1.9780 1.9780 2.5779 2.5779 2.6189 2.6189 8.7413 8.7413 9.1462 9.1462 11.4390 11.4390 13.9670 13.9670 14.1689 14.1689 14.8349 14.8349 k = 0.5000 0.4231 0.1939 ( 1386 PWs) bands (ev): -31.5066 -31.5066 -15.5753 -15.5753 -12.8970 -12.8970 -12.5409 -12.5409 -12.3651 -12.3651 -5.5203 -5.5203 1.9935 1.9935 2.5917 2.5917 2.6337 2.6337 8.7913 8.7913 9.1488 9.1488 11.3678 11.3678 13.9261 13.9261 14.1973 14.1973 14.7837 14.7837 k = 0.5000 0.4231 0.1818 ( 1386 PWs) bands (ev): -31.5071 -31.5071 -15.5688 -15.5688 -12.9006 -12.9006 -12.5413 -12.5413 -12.3708 -12.3708 -5.5231 -5.5231 2.0083 2.0083 2.6060 2.6060 2.6482 2.6482 8.8381 8.8381 9.1513 9.1513 11.3000 11.3000 13.8841 13.8841 14.2290 14.2290 14.7356 14.7356 k = 0.5000 0.4231 0.1696 ( 1386 PWs) bands (ev): -31.5075 -31.5075 -15.5624 -15.5624 -12.9042 -12.9042 -12.5418 -12.5418 -12.3763 -12.3763 -5.5258 -5.5258 2.0225 2.0225 2.6205 2.6205 2.6622 2.6622 8.8817 8.8817 9.1537 9.1537 11.2359 11.2359 13.8414 13.8414 14.2640 14.2640 14.6909 14.6909 k = 0.5000 0.4231 0.1575 ( 1386 PWs) bands (ev): -31.5079 -31.5079 -15.5561 -15.5561 -12.9077 -12.9077 -12.5427 -12.5427 -12.3815 -12.3815 -5.5283 -5.5283 2.0358 2.0358 2.6350 2.6350 2.6757 2.6757 8.9221 8.9221 9.1560 9.1560 11.1755 11.1755 13.7983 13.7983 14.3020 14.3020 14.6497 14.6497 k = 0.5000 0.4231 0.1454 ( 1382 PWs) bands (ev): -31.5083 -31.5083 -15.5500 -15.5500 -12.9111 -12.9111 -12.5437 -12.5437 -12.3863 -12.3863 -5.5305 -5.5305 2.0483 2.0483 2.6494 2.6494 2.6886 2.6886 8.9593 8.9593 9.1581 9.1581 11.1191 11.1191 13.7554 13.7554 14.3428 14.3428 14.6124 14.6124 k = 0.5000 0.4231 0.1333 ( 1386 PWs) bands (ev): -31.5087 -31.5087 -15.5441 -15.5441 -12.9144 -12.9144 -12.5450 -12.5450 -12.3909 -12.3909 -5.5326 -5.5326 2.0598 2.0598 2.6634 2.6634 2.7009 2.7009 8.9931 8.9931 9.1601 9.1601 11.0666 11.0666 13.7132 13.7132 14.3862 14.3862 14.5786 14.5786 k = 0.5000 0.4231 0.1212 ( 1386 PWs) bands (ev): -31.5090 -31.5090 -15.5385 -15.5385 -12.9174 -12.9174 -12.5465 -12.5465 -12.3950 -12.3950 -5.5345 -5.5345 2.0705 2.0705 2.6769 2.6769 2.7125 2.7125 9.0238 9.0238 9.1620 9.1620 11.0183 11.0183 13.6723 13.6723 14.4319 14.4319 14.5484 14.5484 k = 0.5000 0.4231 0.1091 ( 1386 PWs) bands (ev): -31.5093 -31.5093 -15.5332 -15.5332 -12.9203 -12.9203 -12.5480 -12.5480 -12.3986 -12.3986 -5.5361 -5.5361 2.0801 2.0801 2.6896 2.6896 2.7234 2.7234 9.0512 9.0512 9.1638 9.1638 10.9742 10.9742 13.6333 13.6333 14.4794 14.4794 14.5219 14.5219 k = 0.5000 0.4231 0.0969 ( 1386 PWs) bands (ev): -31.5096 -31.5096 -15.5283 -15.5283 -12.9229 -12.9229 -12.5497 -12.5497 -12.4019 -12.4019 -5.5376 -5.5376 2.0888 2.0888 2.7014 2.7014 2.7335 2.7335 9.0754 9.0754 9.1656 9.1656 10.9345 10.9345 13.5967 13.5967 14.4976 14.4976 14.5296 14.5296 k = 0.5000 0.4231 0.0848 ( 1382 PWs) bands (ev): -31.5098 -31.5098 -15.5239 -15.5239 -12.9252 -12.9252 -12.5514 -12.5514 -12.4046 -12.4046 -5.5389 -5.5389 2.0965 2.0965 2.7121 2.7121 2.7428 2.7428 9.0964 9.0964 9.1674 9.1674 10.8993 10.8993 13.5631 13.5631 14.4777 14.4777 14.5801 14.5801 k = 0.5000 0.4231 0.0727 ( 1390 PWs) bands (ev): -31.5100 -31.5100 -15.5199 -15.5199 -12.9274 -12.9274 -12.5530 -12.5530 -12.4070 -12.4070 -5.5400 -5.5400 2.1032 2.1032 2.7215 2.7215 2.7511 2.7511 9.1140 9.1140 9.1694 9.1694 10.8685 10.8685 13.5330 13.5330 14.4605 14.4605 14.6318 14.6318 k = 0.5000 0.4231 0.0606 ( 1390 PWs) bands (ev): -31.5102 -31.5102 -15.5165 -15.5165 -12.9292 -12.9292 -12.5545 -12.5545 -12.4089 -12.4089 -5.5409 -5.5409 2.1088 2.1088 2.7296 2.7296 2.7585 2.7585 9.1283 9.1283 9.1716 9.1716 10.8423 10.8423 13.5068 13.5068 14.4461 14.4461 14.6844 14.6844 k = 0.5000 0.4231 0.0485 ( 1392 PWs) bands (ev): -31.5104 -31.5104 -15.5136 -15.5136 -12.9307 -12.9307 -12.5559 -12.5559 -12.4105 -12.4105 -5.5417 -5.5417 2.1134 2.1134 2.7362 2.7362 2.7647 2.7647 9.1392 9.1392 9.1741 9.1741 10.8208 10.8208 13.4848 13.4848 14.4345 14.4345 14.7373 14.7373 k = 0.5000 0.4231 0.0364 ( 1388 PWs) bands (ev): -31.5105 -31.5105 -15.5114 -15.5114 -12.9319 -12.9319 -12.5570 -12.5570 -12.4116 -12.4116 -5.5423 -5.5423 2.1170 2.1170 2.7414 2.7414 2.7697 2.7697 9.1468 9.1468 9.1770 9.1770 10.8041 10.8041 13.4674 13.4674 14.4257 14.4257 14.7904 14.7904 k = 0.5000 0.4231 0.0242 ( 1386 PWs) bands (ev): -31.5106 -31.5106 -15.5097 -15.5097 -12.9327 -12.9327 -12.5578 -12.5578 -12.4124 -12.4124 -5.5427 -5.5427 2.1196 2.1196 2.7451 2.7451 2.7734 2.7734 9.1515 9.1515 9.1798 9.1798 10.7921 10.7921 13.4548 13.4548 14.4194 14.4194 14.8432 14.8432 k = 0.5000 0.4231 0.0121 ( 1394 PWs) bands (ev): -31.5106 -31.5106 -15.5088 -15.5088 -12.9333 -12.9333 -12.5583 -12.5583 -12.4130 -12.4130 -5.5430 -5.5430 2.1211 2.1211 2.7473 2.7473 2.7756 2.7756 9.1539 9.1539 9.1817 9.1817 10.7847 10.7847 13.4472 13.4472 14.4156 14.4156 14.8950 14.8950 k = 0.5000 0.4231-0.0000 ( 1404 PWs) bands (ev): -31.5107 -31.5107 -15.5085 -15.5085 -12.9336 -12.9336 -12.5586 -12.5586 -12.4132 -12.4132 -5.5430 -5.5430 2.1216 2.1216 2.7480 2.7480 2.7763 2.7763 9.1546 9.1546 9.1824 9.1824 10.7823 10.7823 13.4445 13.4445 14.4143 14.4143 14.9362 14.9362 k = 0.0000 0.0000 0.7740 ( 1338 PWs) bands (ev): -31.4864 -31.4864 -15.5275 -15.5275 -12.9155 -12.9155 -12.5785 -12.5785 -12.4632 -12.4632 -5.2719 -5.2719 1.5320 1.5320 2.1286 2.1286 2.9779 2.9779 6.0782 6.0782 9.0003 9.0003 13.9271 13.9271 14.8277 14.8277 14.9940 14.9940 15.3230 15.3230 k = 0.0093 0.0078 0.7740 ( 1344 PWs) bands (ev): -31.4864 -31.4864 -15.5277 -15.5277 -12.9154 -12.9154 -12.5785 -12.5785 -12.4629 -12.4629 -5.2731 -5.2731 1.5339 1.5339 2.1290 2.1290 2.9766 2.9766 6.0811 6.0811 8.9980 8.9980 13.9271 13.9271 14.8262 14.8262 14.9931 14.9931 15.3229 15.3229 k = 0.0185 0.0157 0.7740 ( 1350 PWs) bands (ev): -31.4864 -31.4864 -15.5283 -15.5283 -12.9152 -12.9152 -12.5785 -12.5785 -12.4618 -12.4618 -5.2765 -5.2765 1.5393 1.5393 2.1302 2.1302 2.9725 2.9725 6.0899 6.0899 8.9911 8.9911 13.9272 13.9272 14.8218 14.8218 14.9908 14.9908 15.3229 15.3229 k = 0.0278 0.0235 0.7740 ( 1350 PWs) bands (ev): -31.4864 -31.4864 -15.5292 -15.5292 -12.9146 -12.9146 -12.5784 -12.5784 -12.4600 -12.4600 -5.2823 -5.2823 1.5483 1.5483 2.1323 2.1323 2.9659 2.9659 6.1045 6.1045 8.9797 8.9797 13.9273 13.9273 14.8148 14.8148 14.9871 14.9871 15.3229 15.3229 k = 0.0370 0.0313 0.7740 ( 1350 PWs) bands (ev): -31.4864 -31.4864 -15.5305 -15.5305 -12.9139 -12.9139 -12.5783 -12.5783 -12.4574 -12.4574 -5.2902 -5.2902 1.5608 1.5608 2.1351 2.1351 2.9567 2.9567 6.1247 6.1247 8.9638 8.9638 13.9275 13.9275 14.8053 14.8053 14.9819 14.9819 15.3229 15.3231 k = 0.0463 0.0392 0.7740 ( 1354 PWs) bands (ev): -31.4864 -31.4864 -15.5321 -15.5321 -12.9130 -12.9130 -12.5781 -12.5781 -12.4542 -12.4542 -5.3001 -5.3001 1.5765 1.5765 2.1388 2.1388 2.9451 2.9451 6.1505 6.1505 8.9435 8.9435 13.9277 13.9277 14.7937 14.7937 14.9752 14.9752 15.3228 15.3229 k = 0.0556 0.0470 0.7740 ( 1354 PWs) bands (ev): -31.4864 -31.4864 -15.5340 -15.5340 -12.9119 -12.9119 -12.5780 -12.5780 -12.4503 -12.4503 -5.3120 -5.3120 1.5953 1.5953 2.1434 2.1434 2.9312 2.9312 6.1815 6.1815 8.9187 8.9187 13.9279 13.9279 14.7803 14.7803 14.9672 14.9672 15.2346 15.2346 k = 0.0648 0.0549 0.7740 ( 1354 PWs) bands (ev): -31.4864 -31.4864 -15.5362 -15.5362 -12.9107 -12.9107 -12.5779 -12.5779 -12.4457 -12.4457 -5.3255 -5.3255 1.6169 1.6169 2.1487 2.1487 2.9152 2.9152 6.2178 6.2178 8.8895 8.8895 13.9281 13.9281 14.7656 14.7656 14.9579 14.9579 15.1195 15.1195 k = 0.0741 0.0627 0.7740 ( 1362 PWs) bands (ev): -31.4864 -31.4864 -15.5386 -15.5386 -12.9094 -12.9094 -12.5778 -12.5778 -12.4406 -12.4406 -5.3407 -5.3407 1.6409 1.6409 2.1549 2.1549 2.8974 2.8974 6.2588 6.2588 8.8561 8.8561 13.9282 13.9282 14.7499 14.7499 14.9471 14.9471 15.0030 15.0030 k = 0.0833 0.0705 0.7740 ( 1360 PWs) bands (ev): -31.4864 -31.4864 -15.5413 -15.5413 -12.9079 -12.9079 -12.5777 -12.5777 -12.4349 -12.4349 -5.3571 -5.3571 1.6672 1.6672 2.1619 2.1619 2.8778 2.8778 6.3045 6.3045 8.8185 8.8185 13.9283 13.9283 14.7336 14.7336 14.8863 14.8863 14.9359 14.9359 k = 0.0926 0.0784 0.7740 ( 1364 PWs) bands (ev): -31.4864 -31.4864 -15.5441 -15.5441 -12.9064 -12.9064 -12.5778 -12.5778 -12.4287 -12.4287 -5.3746 -5.3746 1.6953 1.6953 2.1698 2.1698 2.8567 2.8567 6.3546 6.3546 8.7768 8.7768 13.9281 13.9281 14.7166 14.7166 14.7721 14.7721 14.9229 14.9229 k = 0.1019 0.0862 0.7740 ( 1360 PWs) bands (ev): -31.4864 -31.4864 -15.5471 -15.5471 -12.9048 -12.9048 -12.5778 -12.5778 -12.4221 -12.4221 -5.3929 -5.3929 1.7249 1.7249 2.1785 2.1785 2.8344 2.8344 6.4088 6.4088 8.7312 8.7312 13.9278 13.9278 14.6561 14.6561 14.7042 14.7042 14.9091 14.9091 k = 0.1111 0.0940 0.7740 ( 1360 PWs) bands (ev): -31.4864 -31.4864 -15.5501 -15.5501 -12.9032 -12.9032 -12.5778 -12.5778 -12.4152 -12.4152 -5.4118 -5.4118 1.7555 1.7555 2.1881 2.1881 2.8110 2.8110 6.4668 6.4668 8.6817 8.6817 13.9270 13.9270 14.5478 14.5478 14.6880 14.6880 14.8944 14.8944 k = 0.1204 0.1019 0.7740 ( 1360 PWs) bands (ev): -31.4864 -31.4864 -15.5533 -15.5533 -12.9016 -12.9016 -12.5780 -12.5780 -12.4081 -12.4081 -5.4310 -5.4310 1.7868 1.7868 2.1985 2.1985 2.7866 2.7866 6.5284 6.5284 8.6286 8.6286 13.9256 13.9256 14.4429 14.4429 14.6737 14.6737 14.8789 14.8789 k = 0.1296 0.1097 0.7740 ( 1360 PWs) bands (ev): -31.4864 -31.4864 -15.5564 -15.5564 -12.9000 -12.9000 -12.5781 -12.5781 -12.4008 -12.4008 -5.4502 -5.4502 1.8183 1.8183 2.2098 2.2098 2.7616 2.7616 6.5931 6.5931 8.5720 8.5720 13.9231 13.9231 14.3433 14.3433 14.6609 14.6609 14.8628 14.8628 k = 0.1389 0.1175 0.7740 ( 1360 PWs) bands (ev): -31.4864 -31.4864 -15.5595 -15.5595 -12.8984 -12.8984 -12.5783 -12.5783 -12.3936 -12.3936 -5.4693 -5.4693 1.8496 1.8496 2.2220 2.2220 2.7360 2.7360 6.6609 6.6609 8.5121 8.5121 13.9189 13.9189 14.2505 14.2505 14.6495 14.6495 14.8462 14.8462 k = 0.1481 0.1254 0.7740 ( 1356 PWs) bands (ev): -31.4864 -31.4864 -15.5625 -15.5625 -12.8969 -12.8969 -12.5785 -12.5785 -12.3863 -12.3863 -5.4879 -5.4879 1.8803 1.8803 2.2350 2.2350 2.7100 2.7100 6.7314 6.7314 8.4490 8.4490 13.9113 13.9113 14.1666 14.1666 14.6399 14.6399 14.8292 14.8292 k = 0.1574 0.1332 0.7740 ( 1356 PWs) bands (ev): -31.4864 -31.4864 -15.5654 -15.5654 -12.8955 -12.8955 -12.5787 -12.5787 -12.3793 -12.3793 -5.5057 -5.5057 1.9100 1.9100 2.2489 2.2489 2.6838 2.6838 6.8043 6.8043 8.3830 8.3830 13.8974 13.8974 14.0951 14.0951 14.6320 14.6320 14.8119 14.8119 k = 0.1667 0.1410 0.7740 ( 1368 PWs) bands (ev): -31.4864 -31.4864 -15.5682 -15.5682 -12.8942 -12.8942 -12.5790 -12.5790 -12.3728 -12.3728 -5.5227 -5.5227 1.9383 1.9383 2.2636 2.2636 2.6575 2.6575 6.8793 6.8793 8.3143 8.3143 13.8723 13.8723 14.0412 14.0413 14.6259 14.6259 14.7944 14.7944 k = 0.1759 0.1489 0.7740 ( 1372 PWs) bands (ev): -31.4864 -31.4864 -15.5707 -15.5707 -12.8930 -12.8930 -12.5793 -12.5793 -12.3665 -12.3665 -5.5385 -5.5385 1.9647 1.9647 2.2792 2.2792 2.6312 2.6312 6.9563 6.9563 8.2430 8.2430 13.8339 13.8339 14.0078 14.0078 14.6218 14.6218 14.7770 14.7770 k = 0.1852 0.1567 0.7740 ( 1380 PWs) bands (ev): -31.4864 -31.4864 -15.5731 -15.5731 -12.8919 -12.8919 -12.5796 -12.5796 -12.3607 -12.3607 -5.5529 -5.5529 1.9890 1.9890 2.2957 2.2957 2.6051 2.6051 7.0349 7.0349 8.1695 8.1695 13.7874 13.7874 13.9899 13.9899 14.6197 14.6197 14.7595 14.7595 k = 0.1944 0.1646 0.7740 ( 1380 PWs) bands (ev): -31.4864 -31.4864 -15.5752 -15.5752 -12.8909 -12.8909 -12.5798 -12.5798 -12.3555 -12.3555 -5.5658 -5.5658 2.0108 2.0108 2.3130 2.3130 2.5792 2.5792 7.1150 7.1150 8.0939 8.0939 13.7404 13.7404 13.9804 13.9804 14.6196 14.6196 14.7427 14.7427 k = 0.2037 0.1724 0.7740 ( 1380 PWs) bands (ev): -31.4864 -31.4864 -15.5770 -15.5770 -12.8901 -12.8901 -12.5800 -12.5800 -12.3509 -12.3509 -5.5770 -5.5770 2.0297 2.0297 2.3311 2.3311 2.5537 2.5537 7.1961 7.1961 8.0165 8.0165 13.6974 13.6974 13.9750 13.9750 14.6214 14.6214 14.7263 14.7263 k = 0.2130 0.1802 0.7740 ( 1380 PWs) bands (ev): -31.4864 -31.4864 -15.5785 -15.5785 -12.8894 -12.8894 -12.5802 -12.5802 -12.3471 -12.3471 -5.5864 -5.5864 2.0456 2.0456 2.3501 2.3501 2.5286 2.5286 7.2782 7.2782 7.9376 7.9376 13.6606 13.6606 13.9719 13.9719 14.6252 14.6252 14.7106 14.7106 k = 0.2222 0.1881 0.7740 ( 1376 PWs) bands (ev): -31.4864 -31.4864 -15.5797 -15.5797 -12.8888 -12.8888 -12.5803 -12.5803 -12.3440 -12.3440 -5.5938 -5.5938 2.0582 2.0582 2.3698 2.3698 2.5040 2.5040 7.3609 7.3609 7.8573 7.8573 13.6313 13.6313 13.9700 13.9700 14.6307 14.6307 14.6957 14.6957 k = 0.2315 0.1959 0.7740 ( 1376 PWs) bands (ev): -31.4864 -31.4864 -15.5805 -15.5805 -12.8884 -12.8884 -12.5804 -12.5804 -12.3418 -12.3418 -5.5991 -5.5991 2.0674 2.0674 2.3904 2.3904 2.4800 2.4800 7.4439 7.4439 7.7760 7.7760 13.6099 13.6099 13.9689 13.9689 14.6379 14.6379 14.6817 14.6817 k = 0.2407 0.2037 0.7740 ( 1376 PWs) bands (ev): -31.4864 -31.4864 -15.5811 -15.5811 -12.8882 -12.8882 -12.5805 -12.5805 -12.3404 -12.3404 -5.6024 -5.6024 2.0729 2.0729 2.4117 2.4117 2.4566 2.4566 7.5270 7.5270 7.6940 7.6940 13.5970 13.5970 13.9683 13.9683 14.6468 14.6468 14.6688 14.6688 k = 0.2500 0.2116 0.7740 ( 1384 PWs) bands (ev): -31.4864 -31.4864 -15.5812 -15.5812 -12.8881 -12.8881 -12.5806 -12.5806 -12.3400 -12.3400 -5.6035 -5.6035 2.0747 2.0747 2.4325 2.4325 2.4351 2.4351 7.6019 7.6019 7.6193 7.6193 13.5926 13.5926 13.9681 13.9681 14.6569 14.6569 14.6572 14.6572 Writing output data file CaO2.save init_run : 0.14s CPU 0.51s WALL ( 1 calls) electrons : 99.29s CPU 103.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 99.29s CPU 103.58s 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 : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 449 calls) cegterg : 95.74s CPU 97.99s WALL ( 1018 calls) Called by sum_band: Called by *egterg: h_psi : 35.42s CPU 36.43s WALL ( 16813 calls) s_psi : 1.46s CPU 1.52s WALL ( 16813 calls) g_psi : 0.10s CPU 0.11s WALL ( 15346 calls) cdiaghg : 53.64s CPU 54.94s WALL ( 15795 calls) cegterg:over : 2.93s CPU 2.96s WALL ( 15346 calls) cegterg:upda : 1.88s CPU 2.11s WALL ( 15346 calls) cegterg:last : 1.15s CPU 1.06s WALL ( 2554 calls) cdiaghg:chol : 2.57s CPU 2.69s WALL ( 15795 calls) cdiaghg:inve : 1.06s CPU 1.21s WALL ( 15795 calls) cdiaghg:para : 3.16s CPU 3.28s WALL ( 31590 calls) Called by h_psi: h_psi:vloc : 31.75s CPU 32.70s WALL ( 16813 calls) h_psi:vnl : 3.58s CPU 3.66s WALL ( 16813 calls) add_vuspsi : 1.90s CPU 1.93s WALL ( 16813 calls) General routines calbec : 1.62s CPU 1.69s WALL ( 16813 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.82s CPU 29.87s WALL ( 917304 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.23s WALL ( 898 calls) Parallel routines fft_scatter : 17.67s CPU 18.57s WALL ( 917327 calls) PWSCF : 1m48.94s CPU 2m34.56s WALL This run was terminated on: 16:32:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=