Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 6:14 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: ./Cl2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 19 5 1163 859 135 Max 24 20 6 1174 886 144 Sum 849 709 209 42041 31315 5049 bravais-lattice index = 14 lattice parameter (alat) = 7.1388 a.u. unit-cell volume = 743.1265 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.138829 celldm(2)= 1.000000 celldm(3)= 2.158373 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.323122 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.323122 0.946357 0.000000 ) a(3) = ( 0.000000 0.000000 2.158373 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.341437 -0.000000 ) b(2) = ( 0.000000 1.056683 -0.000000 ) b(3) = ( 0.000000 0.000000 0.463312 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Cl 7.00 35.45300 Cl( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0068708 0.0096062 -0.0000000), wk = 0.0024631 k( 3) = ( 0.0137416 0.0192124 -0.0000000), wk = 0.0024631 k( 4) = ( 0.0206124 0.0288186 -0.0000000), wk = 0.0024631 k( 5) = ( 0.0274832 0.0384248 -0.0000000), wk = 0.0024631 k( 6) = ( 0.0343540 0.0480311 -0.0000000), wk = 0.0024631 k( 7) = ( 0.0412248 0.0576373 -0.0000000), wk = 0.0024631 k( 8) = ( 0.0480956 0.0672435 -0.0000000), wk = 0.0024631 k( 9) = ( 0.0549664 0.0768497 -0.0000000), wk = 0.0024631 k( 10) = ( 0.0618372 0.0864559 -0.0000000), wk = 0.0024631 k( 11) = ( 0.0687080 0.0960621 -0.0000000), wk = 0.0024631 k( 12) = ( 0.0755788 0.1056683 -0.0000000), wk = 0.0024631 k( 13) = ( 0.0824496 0.1152745 -0.0000000), wk = 0.0024631 k( 14) = ( 0.0893204 0.1248807 -0.0000000), wk = 0.0024631 k( 15) = ( 0.0961912 0.1344870 -0.0000000), wk = 0.0024631 k( 16) = ( 0.1030620 0.1440932 -0.0000000), wk = 0.0024631 k( 17) = ( 0.1099328 0.1536994 -0.0000000), wk = 0.0024631 k( 18) = ( 0.1168036 0.1633056 -0.0000000), wk = 0.0024631 k( 19) = ( 0.1236745 0.1729118 -0.0000000), wk = 0.0024631 k( 20) = ( 0.1305453 0.1825180 -0.0000000), wk = 0.0024631 k( 21) = ( 0.1374161 0.1921242 -0.0000000), wk = 0.0024631 k( 22) = ( 0.1442868 0.2017304 -0.0000000), wk = 0.0024631 k( 23) = ( 0.1511577 0.2113367 -0.0000000), wk = 0.0024631 k( 24) = ( 0.1580285 0.2209429 -0.0000000), wk = 0.0024631 k( 25) = ( 0.1648993 0.2305491 -0.0000000), wk = 0.0024631 k( 26) = ( 0.1717701 0.2401553 -0.0000000), wk = 0.0024631 k( 27) = ( 0.1786409 0.2497615 -0.0000000), wk = 0.0024631 k( 28) = ( 0.1855117 0.2593677 -0.0000000), wk = 0.0024631 k( 29) = ( 0.1923825 0.2689739 -0.0000000), wk = 0.0024631 k( 30) = ( 0.1992533 0.2785801 -0.0000000), wk = 0.0024631 k( 31) = ( 0.2061241 0.2881864 -0.0000000), wk = 0.0024631 k( 32) = ( 0.2129949 0.2977926 -0.0000000), wk = 0.0024631 k( 33) = ( 0.2198657 0.3073988 -0.0000000), wk = 0.0024631 k( 34) = ( 0.2267365 0.3170050 -0.0000000), wk = 0.0024631 k( 35) = ( 0.2336073 0.3266112 -0.0000000), wk = 0.0024631 k( 36) = ( 0.2404781 0.3362174 -0.0000000), wk = 0.0024631 k( 37) = ( 0.2473489 0.3458236 -0.0000000), wk = 0.0024631 k( 38) = ( 0.2542197 0.3554298 -0.0000000), wk = 0.0024631 k( 39) = ( 0.2610905 0.3650360 -0.0000000), wk = 0.0024631 k( 40) = ( 0.2679613 0.3746423 -0.0000000), wk = 0.0024631 k( 41) = ( 0.2748321 0.3842485 -0.0000000), wk = 0.0024631 k( 42) = ( 0.2817029 0.3938547 -0.0000000), wk = 0.0024631 k( 43) = ( 0.2885737 0.4034609 -0.0000000), wk = 0.0024631 k( 44) = ( 0.2954445 0.4130671 -0.0000000), wk = 0.0024631 k( 45) = ( 0.3023153 0.4226733 -0.0000000), wk = 0.0024631 k( 46) = ( 0.3091861 0.4322795 -0.0000000), wk = 0.0024631 k( 47) = ( 0.3160569 0.4418857 -0.0000000), wk = 0.0024631 k( 48) = ( 0.3229277 0.4514920 -0.0000000), wk = 0.0024631 k( 49) = ( 0.3297985 0.4610982 -0.0000000), wk = 0.0024631 k( 50) = ( 0.3366693 0.4707044 -0.0000000), wk = 0.0024631 k( 51) = ( 0.3435401 0.4803106 -0.0000000), wk = 0.0024631 k( 52) = ( 0.3504109 0.4899168 -0.0000000), wk = 0.0024631 k( 53) = ( 0.3572817 0.4995230 -0.0000000), wk = 0.0024631 k( 54) = ( 0.3641525 0.5091292 -0.0000000), wk = 0.0024631 k( 55) = ( 0.3710233 0.5187354 -0.0000000), wk = 0.0024631 k( 56) = ( 0.3778941 0.5283416 -0.0000000), wk = 0.0024631 k( 57) = ( 0.3778941 0.5283416 -0.0000000), wk = 0.0024631 k( 58) = ( 0.3660850 0.5283416 -0.0000000), wk = 0.0024631 k( 59) = ( 0.3542758 0.5283416 -0.0000000), wk = 0.0024631 k( 60) = ( 0.3424666 0.5283416 -0.0000000), wk = 0.0024631 k( 61) = ( 0.3306574 0.5283416 -0.0000000), wk = 0.0024631 k( 62) = ( 0.3188482 0.5283416 -0.0000000), wk = 0.0024631 k( 63) = ( 0.3070390 0.5283416 -0.0000000), wk = 0.0024631 k( 64) = ( 0.2952298 0.5283416 -0.0000000), wk = 0.0024631 k( 65) = ( 0.2834206 0.5283416 -0.0000000), wk = 0.0024631 k( 66) = ( 0.2716114 0.5283416 -0.0000000), wk = 0.0024631 k( 67) = ( 0.2598022 0.5283416 -0.0000000), wk = 0.0024631 k( 68) = ( 0.2479930 0.5283416 -0.0000000), wk = 0.0024631 k( 69) = ( 0.2361838 0.5283416 -0.0000000), wk = 0.0024631 k( 70) = ( 0.2243746 0.5283416 -0.0000000), wk = 0.0024631 k( 71) = ( 0.2125654 0.5283416 -0.0000000), wk = 0.0024631 k( 72) = ( 0.2007563 0.5283416 -0.0000000), wk = 0.0024631 k( 73) = ( 0.1889471 0.5283416 -0.0000000), wk = 0.0024631 k( 74) = ( 0.1771379 0.5283416 -0.0000000), wk = 0.0024631 k( 75) = ( 0.1653287 0.5283416 -0.0000000), wk = 0.0024631 k( 76) = ( 0.1535195 0.5283416 -0.0000000), wk = 0.0024631 k( 77) = ( 0.1417103 0.5283416 -0.0000000), wk = 0.0024631 k( 78) = ( 0.1299011 0.5283416 -0.0000000), wk = 0.0024631 k( 79) = ( 0.1180919 0.5283416 -0.0000000), wk = 0.0024631 k( 80) = ( 0.1062827 0.5283416 -0.0000000), wk = 0.0024631 k( 81) = ( 0.0944735 0.5283416 -0.0000000), wk = 0.0024631 k( 82) = ( 0.0826643 0.5283416 -0.0000000), wk = 0.0024631 k( 83) = ( 0.0708552 0.5283416 -0.0000000), wk = 0.0024631 k( 84) = ( 0.0590460 0.5283416 -0.0000000), wk = 0.0024631 k( 85) = ( 0.0472368 0.5283416 -0.0000000), wk = 0.0024631 k( 86) = ( 0.0354276 0.5283416 -0.0000000), wk = 0.0024631 k( 87) = ( 0.0236184 0.5283416 -0.0000000), wk = 0.0024631 k( 88) = ( 0.0118092 0.5283416 -0.0000000), wk = 0.0024631 k( 89) = ( 0.0000000 0.5283416 -0.0000000), wk = 0.0024631 k( 90) = ( 0.0000000 0.5283416 -0.0000000), wk = 0.0024631 k( 91) = ( 0.0000000 0.5283416 0.0115828), wk = 0.0024631 k( 92) = ( 0.0000000 0.5283416 0.0231656), wk = 0.0024631 k( 93) = ( 0.0000000 0.5283416 0.0347484), wk = 0.0024631 k( 94) = ( 0.0000000 0.5283416 0.0463312), wk = 0.0024631 k( 95) = ( 0.0000000 0.5283416 0.0579140), wk = 0.0024631 k( 96) = ( 0.0000000 0.5283416 0.0694968), wk = 0.0024631 k( 97) = ( 0.0000000 0.5283416 0.0810796), wk = 0.0024631 k( 98) = ( 0.0000000 0.5283416 0.0926624), wk = 0.0024631 k( 99) = ( 0.0000000 0.5283416 0.1042452), wk = 0.0024631 k( 100) = ( 0.0000000 0.5283416 0.1158280), wk = 0.0024631 k( 101) = ( 0.0000000 0.5283416 0.1274108), wk = 0.0024631 k( 102) = ( 0.0000000 0.5283416 0.1389936), wk = 0.0024631 k( 103) = ( 0.0000000 0.5283416 0.1505764), wk = 0.0024631 k( 104) = ( 0.0000000 0.5283416 0.1621592), wk = 0.0024631 k( 105) = ( 0.0000000 0.5283416 0.1737420), wk = 0.0024631 k( 106) = ( 0.0000000 0.5283416 0.1853248), wk = 0.0024631 k( 107) = ( 0.0000000 0.5283416 0.1969075), wk = 0.0024631 k( 108) = ( 0.0000000 0.5283416 0.2084903), wk = 0.0024631 k( 109) = ( 0.0000000 0.5283416 0.2200731), wk = 0.0024631 k( 110) = ( 0.0000000 0.5283416 0.2316559), wk = 0.0024631 k( 111) = ( 0.0000000 0.5283416 0.2316559), wk = 0.0024631 k( 112) = ( 0.0118092 0.5283416 0.2316559), wk = 0.0024631 k( 113) = ( 0.0236184 0.5283416 0.2316559), wk = 0.0024631 k( 114) = ( 0.0354276 0.5283416 0.2316559), wk = 0.0024631 k( 115) = ( 0.0472368 0.5283416 0.2316559), wk = 0.0024631 k( 116) = ( 0.0590460 0.5283416 0.2316559), wk = 0.0024631 k( 117) = ( 0.0708552 0.5283416 0.2316559), wk = 0.0024631 k( 118) = ( 0.0826643 0.5283416 0.2316559), wk = 0.0024631 k( 119) = ( 0.0944735 0.5283416 0.2316559), wk = 0.0024631 k( 120) = ( 0.1062827 0.5283416 0.2316559), wk = 0.0024631 k( 121) = ( 0.1180919 0.5283416 0.2316559), wk = 0.0024631 k( 122) = ( 0.1299011 0.5283416 0.2316559), wk = 0.0024631 k( 123) = ( 0.1417103 0.5283416 0.2316559), wk = 0.0024631 k( 124) = ( 0.1535195 0.5283416 0.2316559), wk = 0.0024631 k( 125) = ( 0.1653287 0.5283416 0.2316559), wk = 0.0024631 k( 126) = ( 0.1771379 0.5283416 0.2316559), wk = 0.0024631 k( 127) = ( 0.1889471 0.5283416 0.2316559), wk = 0.0024631 k( 128) = ( 0.2007563 0.5283416 0.2316559), wk = 0.0024631 k( 129) = ( 0.2125654 0.5283416 0.2316559), wk = 0.0024631 k( 130) = ( 0.2243746 0.5283416 0.2316559), wk = 0.0024631 k( 131) = ( 0.2361838 0.5283416 0.2316559), wk = 0.0024631 k( 132) = ( 0.2479930 0.5283416 0.2316559), wk = 0.0024631 k( 133) = ( 0.2598022 0.5283416 0.2316559), wk = 0.0024631 k( 134) = ( 0.2716114 0.5283416 0.2316559), wk = 0.0024631 k( 135) = ( 0.2834206 0.5283416 0.2316559), wk = 0.0024631 k( 136) = ( 0.2952298 0.5283416 0.2316559), wk = 0.0024631 k( 137) = ( 0.3070390 0.5283416 0.2316559), wk = 0.0024631 k( 138) = ( 0.3188482 0.5283416 0.2316559), wk = 0.0024631 k( 139) = ( 0.3306574 0.5283416 0.2316559), wk = 0.0024631 k( 140) = ( 0.3424666 0.5283416 0.2316559), wk = 0.0024631 k( 141) = ( 0.3542758 0.5283416 0.2316559), wk = 0.0024631 k( 142) = ( 0.3660850 0.5283416 0.2316559), wk = 0.0024631 k( 143) = ( 0.3778941 0.5283416 0.2316559), wk = 0.0024631 k( 144) = ( 0.3778941 0.5283416 0.2316559), wk = 0.0024631 k( 145) = ( 0.3710233 0.5187354 0.2316559), wk = 0.0024631 k( 146) = ( 0.3641525 0.5091292 0.2316559), wk = 0.0024631 k( 147) = ( 0.3572817 0.4995230 0.2316559), wk = 0.0024631 k( 148) = ( 0.3504109 0.4899168 0.2316559), wk = 0.0024631 k( 149) = ( 0.3435401 0.4803106 0.2316559), wk = 0.0024631 k( 150) = ( 0.3366693 0.4707044 0.2316559), wk = 0.0024631 k( 151) = ( 0.3297985 0.4610982 0.2316559), wk = 0.0024631 k( 152) = ( 0.3229277 0.4514920 0.2316559), wk = 0.0024631 k( 153) = ( 0.3160569 0.4418857 0.2316559), wk = 0.0024631 k( 154) = ( 0.3091861 0.4322795 0.2316559), wk = 0.0024631 k( 155) = ( 0.3023153 0.4226733 0.2316559), wk = 0.0024631 k( 156) = ( 0.2954445 0.4130671 0.2316559), wk = 0.0024631 k( 157) = ( 0.2885737 0.4034609 0.2316559), wk = 0.0024631 k( 158) = ( 0.2817029 0.3938547 0.2316559), wk = 0.0024631 k( 159) = ( 0.2748321 0.3842485 0.2316559), wk = 0.0024631 k( 160) = ( 0.2679613 0.3746423 0.2316559), wk = 0.0024631 k( 161) = ( 0.2610905 0.3650360 0.2316559), wk = 0.0024631 k( 162) = ( 0.2542197 0.3554298 0.2316559), wk = 0.0024631 k( 163) = ( 0.2473489 0.3458236 0.2316559), wk = 0.0024631 k( 164) = ( 0.2404781 0.3362174 0.2316559), wk = 0.0024631 k( 165) = ( 0.2336073 0.3266112 0.2316559), wk = 0.0024631 k( 166) = ( 0.2267365 0.3170050 0.2316559), wk = 0.0024631 k( 167) = ( 0.2198657 0.3073988 0.2316559), wk = 0.0024631 k( 168) = ( 0.2129949 0.2977926 0.2316559), wk = 0.0024631 k( 169) = ( 0.2061241 0.2881864 0.2316559), wk = 0.0024631 k( 170) = ( 0.1992533 0.2785801 0.2316559), wk = 0.0024631 k( 171) = ( 0.1923825 0.2689739 0.2316559), wk = 0.0024631 k( 172) = ( 0.1855117 0.2593677 0.2316559), wk = 0.0024631 k( 173) = ( 0.1786409 0.2497615 0.2316559), wk = 0.0024631 k( 174) = ( 0.1717701 0.2401553 0.2316559), wk = 0.0024631 k( 175) = ( 0.1648993 0.2305491 0.2316559), wk = 0.0024631 k( 176) = ( 0.1580285 0.2209429 0.2316559), wk = 0.0024631 k( 177) = ( 0.1511577 0.2113367 0.2316559), wk = 0.0024631 k( 178) = ( 0.1442868 0.2017304 0.2316559), wk = 0.0024631 k( 179) = ( 0.1374161 0.1921242 0.2316559), wk = 0.0024631 k( 180) = ( 0.1305453 0.1825180 0.2316559), wk = 0.0024631 k( 181) = ( 0.1236745 0.1729118 0.2316559), wk = 0.0024631 k( 182) = ( 0.1168036 0.1633056 0.2316559), wk = 0.0024631 k( 183) = ( 0.1099328 0.1536994 0.2316559), wk = 0.0024631 k( 184) = ( 0.1030620 0.1440932 0.2316559), wk = 0.0024631 k( 185) = ( 0.0961912 0.1344870 0.2316559), wk = 0.0024631 k( 186) = ( 0.0893204 0.1248807 0.2316559), wk = 0.0024631 k( 187) = ( 0.0824496 0.1152745 0.2316559), wk = 0.0024631 k( 188) = ( 0.0755788 0.1056683 0.2316559), wk = 0.0024631 k( 189) = ( 0.0687080 0.0960621 0.2316559), wk = 0.0024631 k( 190) = ( 0.0618372 0.0864559 0.2316559), wk = 0.0024631 k( 191) = ( 0.0549664 0.0768497 0.2316559), wk = 0.0024631 k( 192) = ( 0.0480956 0.0672435 0.2316559), wk = 0.0024631 k( 193) = ( 0.0412248 0.0576373 0.2316559), wk = 0.0024631 k( 194) = ( 0.0343540 0.0480311 0.2316559), wk = 0.0024631 k( 195) = ( 0.0274832 0.0384248 0.2316559), wk = 0.0024631 k( 196) = ( 0.0206124 0.0288186 0.2316559), wk = 0.0024631 k( 197) = ( 0.0137416 0.0192124 0.2316559), wk = 0.0024631 k( 198) = ( 0.0068708 0.0096062 0.2316559), wk = 0.0024631 k( 199) = ( 0.0000000 0.0000000 0.2316559), wk = 0.0024631 k( 200) = ( 0.0000000 0.0000000 0.2316559), wk = 0.0024631 k( 201) = ( 0.0000000 0.0000000 0.2200731), wk = 0.0024631 k( 202) = ( 0.0000000 0.0000000 0.2084903), wk = 0.0024631 k( 203) = ( 0.0000000 0.0000000 0.1969075), wk = 0.0024631 k( 204) = ( 0.0000000 0.0000000 0.1853248), wk = 0.0024631 k( 205) = ( 0.0000000 0.0000000 0.1737420), wk = 0.0024631 k( 206) = ( 0.0000000 0.0000000 0.1621592), wk = 0.0024631 k( 207) = ( 0.0000000 0.0000000 0.1505764), wk = 0.0024631 k( 208) = ( 0.0000000 0.0000000 0.1389936), wk = 0.0024631 k( 209) = ( 0.0000000 0.0000000 0.1274108), wk = 0.0024631 k( 210) = ( 0.0000000 0.0000000 0.1158280), wk = 0.0024631 k( 211) = ( 0.0000000 0.0000000 0.1042452), wk = 0.0024631 k( 212) = ( 0.0000000 0.0000000 0.0926624), wk = 0.0024631 k( 213) = ( 0.0000000 0.0000000 0.0810796), wk = 0.0024631 k( 214) = ( 0.0000000 0.0000000 0.0694968), wk = 0.0024631 k( 215) = ( 0.0000000 0.0000000 0.0579140), wk = 0.0024631 k( 216) = ( 0.0000000 0.0000000 0.0463312), wk = 0.0024631 k( 217) = ( 0.0000000 0.0000000 0.0347484), wk = 0.0024631 k( 218) = ( 0.0000000 0.0000000 0.0231656), wk = 0.0024631 k( 219) = ( 0.0000000 0.0000000 0.0115828), wk = 0.0024631 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 222) = ( -0.0096154 0.0068774 0.0000000), wk = 0.0024631 k( 223) = ( -0.0192308 0.0137547 0.0000000), wk = 0.0024631 k( 224) = ( -0.0288462 0.0206321 0.0000000), wk = 0.0024631 k( 225) = ( -0.0384615 0.0275095 0.0000000), wk = 0.0024631 k( 226) = ( -0.0480769 0.0343868 0.0000000), wk = 0.0024631 k( 227) = ( -0.0576923 0.0412642 0.0000000), wk = 0.0024631 k( 228) = ( -0.0673077 0.0481415 0.0000000), wk = 0.0024631 k( 229) = ( -0.0769231 0.0550189 0.0000000), wk = 0.0024631 k( 230) = ( -0.0865385 0.0618963 0.0000000), wk = 0.0024631 k( 231) = ( -0.0961538 0.0687736 0.0000000), wk = 0.0024631 k( 232) = ( -0.1057692 0.0756510 0.0000000), wk = 0.0024631 k( 233) = ( -0.1153846 0.0825284 0.0000000), wk = 0.0024631 k( 234) = ( -0.1250000 0.0894057 0.0000000), wk = 0.0024631 k( 235) = ( -0.1346154 0.0962831 0.0000000), wk = 0.0024631 k( 236) = ( -0.1442308 0.1031605 0.0000000), wk = 0.0024631 k( 237) = ( -0.1538461 0.1100378 0.0000000), wk = 0.0024631 k( 238) = ( -0.1634615 0.1169152 0.0000000), wk = 0.0024631 k( 239) = ( -0.1730769 0.1237925 0.0000000), wk = 0.0024631 k( 240) = ( -0.1826923 0.1306699 0.0000000), wk = 0.0024631 k( 241) = ( -0.1923077 0.1375473 0.0000000), wk = 0.0024631 k( 242) = ( -0.2019231 0.1444246 0.0000000), wk = 0.0024631 k( 243) = ( -0.2115385 0.1513020 0.0000000), wk = 0.0024631 k( 244) = ( -0.2211539 0.1581794 0.0000000), wk = 0.0024631 k( 245) = ( -0.2307692 0.1650567 0.0000000), wk = 0.0024631 k( 246) = ( -0.2403846 0.1719341 0.0000000), wk = 0.0024631 k( 247) = ( -0.2500000 0.1788114 0.0000000), wk = 0.0024631 k( 248) = ( -0.2596154 0.1856888 0.0000000), wk = 0.0024631 k( 249) = ( -0.2692308 0.1925662 0.0000000), wk = 0.0024631 k( 250) = ( -0.2788462 0.1994435 0.0000000), wk = 0.0024631 k( 251) = ( -0.2884615 0.2063209 0.0000000), wk = 0.0024631 k( 252) = ( -0.2980769 0.2131983 0.0000000), wk = 0.0024631 k( 253) = ( -0.3076923 0.2200756 0.0000000), wk = 0.0024631 k( 254) = ( -0.3173077 0.2269530 0.0000000), wk = 0.0024631 k( 255) = ( -0.3269231 0.2338304 0.0000000), wk = 0.0024631 k( 256) = ( -0.3365385 0.2407077 0.0000000), wk = 0.0024631 k( 257) = ( -0.3461538 0.2475851 0.0000000), wk = 0.0024631 k( 258) = ( -0.3557692 0.2544624 0.0000000), wk = 0.0024631 k( 259) = ( -0.3653846 0.2613398 0.0000000), wk = 0.0024631 k( 260) = ( -0.3750000 0.2682172 0.0000000), wk = 0.0024631 k( 261) = ( -0.3846154 0.2750945 0.0000000), wk = 0.0024631 k( 262) = ( -0.3942308 0.2819719 0.0000000), wk = 0.0024631 k( 263) = ( -0.4038462 0.2888493 0.0000000), wk = 0.0024631 k( 264) = ( -0.4134615 0.2957266 0.0000000), wk = 0.0024631 k( 265) = ( -0.4230769 0.3026040 0.0000000), wk = 0.0024631 k( 266) = ( -0.4326923 0.3094814 0.0000000), wk = 0.0024631 k( 267) = ( -0.4423077 0.3163587 0.0000000), wk = 0.0024631 k( 268) = ( -0.4519231 0.3232361 0.0000000), wk = 0.0024631 k( 269) = ( -0.4615385 0.3301134 0.0000000), wk = 0.0024631 k( 270) = ( -0.4711538 0.3369908 0.0000000), wk = 0.0024631 k( 271) = ( -0.4807692 0.3438682 0.0000000), wk = 0.0024631 k( 272) = ( -0.4903846 0.3507455 0.0000000), wk = 0.0024631 k( 273) = ( -0.5000000 0.3576229 0.0000000), wk = 0.0024631 k( 274) = ( -0.5000000 0.3576229 0.0000000), wk = 0.0024631 k( 275) = ( -0.4932163 0.3671073 -0.0000000), wk = 0.0024631 k( 276) = ( -0.4864327 0.3765917 -0.0000000), wk = 0.0024631 k( 277) = ( -0.4796490 0.3860760 -0.0000000), wk = 0.0024631 k( 278) = ( -0.4728654 0.3955604 -0.0000000), wk = 0.0024631 k( 279) = ( -0.4660817 0.4050448 -0.0000000), wk = 0.0024631 k( 280) = ( -0.4592981 0.4145291 -0.0000000), wk = 0.0024631 k( 281) = ( -0.4525144 0.4240135 -0.0000000), wk = 0.0024631 k( 282) = ( -0.4457307 0.4334979 -0.0000000), wk = 0.0024631 k( 283) = ( -0.4389471 0.4429823 -0.0000000), wk = 0.0024631 k( 284) = ( -0.4321634 0.4524666 -0.0000000), wk = 0.0024631 k( 285) = ( -0.4253798 0.4619510 -0.0000000), wk = 0.0024631 k( 286) = ( -0.4185961 0.4714354 -0.0000000), wk = 0.0024631 k( 287) = ( -0.4118124 0.4809198 -0.0000000), wk = 0.0024631 k( 288) = ( -0.4050288 0.4904041 -0.0000000), wk = 0.0024631 k( 289) = ( -0.3982451 0.4998885 -0.0000000), wk = 0.0024631 k( 290) = ( -0.3914615 0.5093729 -0.0000000), wk = 0.0024631 k( 291) = ( -0.3846778 0.5188573 -0.0000000), wk = 0.0024631 k( 292) = ( -0.3778941 0.5283416 -0.0000000), wk = 0.0024631 k( 293) = ( -0.3778941 0.5283416 -0.0000000), wk = 0.0024631 k( 294) = ( -0.3778941 0.5283416 0.0115828), wk = 0.0024631 k( 295) = ( -0.3778941 0.5283416 0.0231656), wk = 0.0024631 k( 296) = ( -0.3778941 0.5283416 0.0347484), wk = 0.0024631 k( 297) = ( -0.3778941 0.5283416 0.0463312), wk = 0.0024631 k( 298) = ( -0.3778941 0.5283416 0.0579140), wk = 0.0024631 k( 299) = ( -0.3778941 0.5283416 0.0694968), wk = 0.0024631 k( 300) = ( -0.3778941 0.5283416 0.0810796), wk = 0.0024631 k( 301) = ( -0.3778941 0.5283416 0.0926624), wk = 0.0024631 k( 302) = ( -0.3778941 0.5283416 0.1042452), wk = 0.0024631 k( 303) = ( -0.3778941 0.5283416 0.1158280), wk = 0.0024631 k( 304) = ( -0.3778941 0.5283416 0.1274108), wk = 0.0024631 k( 305) = ( -0.3778941 0.5283416 0.1389936), wk = 0.0024631 k( 306) = ( -0.3778941 0.5283416 0.1505764), wk = 0.0024631 k( 307) = ( -0.3778941 0.5283416 0.1621592), wk = 0.0024631 k( 308) = ( -0.3778941 0.5283416 0.1737420), wk = 0.0024631 k( 309) = ( -0.3778941 0.5283416 0.1853248), wk = 0.0024631 k( 310) = ( -0.3778941 0.5283416 0.1969075), wk = 0.0024631 k( 311) = ( -0.3778941 0.5283416 0.2084903), wk = 0.0024631 k( 312) = ( -0.3778941 0.5283416 0.2200731), wk = 0.0024631 k( 313) = ( -0.3778941 0.5283416 0.2316559), wk = 0.0024631 k( 314) = ( -0.3778941 0.5283416 0.2316559), wk = 0.0024631 k( 315) = ( -0.3846778 0.5188573 0.2316559), wk = 0.0024631 k( 316) = ( -0.3914615 0.5093729 0.2316559), wk = 0.0024631 k( 317) = ( -0.3982451 0.4998885 0.2316559), wk = 0.0024631 k( 318) = ( -0.4050288 0.4904041 0.2316559), wk = 0.0024631 k( 319) = ( -0.4118124 0.4809198 0.2316559), wk = 0.0024631 k( 320) = ( -0.4185961 0.4714354 0.2316559), wk = 0.0024631 k( 321) = ( -0.4253798 0.4619510 0.2316559), wk = 0.0024631 k( 322) = ( -0.4321634 0.4524666 0.2316559), wk = 0.0024631 k( 323) = ( -0.4389471 0.4429823 0.2316559), wk = 0.0024631 k( 324) = ( -0.4457307 0.4334979 0.2316559), wk = 0.0024631 k( 325) = ( -0.4525144 0.4240135 0.2316559), wk = 0.0024631 k( 326) = ( -0.4592981 0.4145291 0.2316559), wk = 0.0024631 k( 327) = ( -0.4660817 0.4050448 0.2316559), wk = 0.0024631 k( 328) = ( -0.4728654 0.3955604 0.2316559), wk = 0.0024631 k( 329) = ( -0.4796490 0.3860760 0.2316559), wk = 0.0024631 k( 330) = ( -0.4864327 0.3765917 0.2316559), wk = 0.0024631 k( 331) = ( -0.4932163 0.3671073 0.2316559), wk = 0.0024631 k( 332) = ( -0.5000000 0.3576229 0.2316559), wk = 0.0024631 k( 333) = ( -0.5000000 0.3576229 0.2316559), wk = 0.0024631 k( 334) = ( -0.5000000 0.3576229 0.2200731), wk = 0.0024631 k( 335) = ( -0.5000000 0.3576229 0.2084903), wk = 0.0024631 k( 336) = ( -0.5000000 0.3576229 0.1969075), wk = 0.0024631 k( 337) = ( -0.5000000 0.3576229 0.1853248), wk = 0.0024631 k( 338) = ( -0.5000000 0.3576229 0.1737420), wk = 0.0024631 k( 339) = ( -0.5000000 0.3576229 0.1621592), wk = 0.0024631 k( 340) = ( -0.5000000 0.3576229 0.1505764), wk = 0.0024631 k( 341) = ( -0.5000000 0.3576229 0.1389936), wk = 0.0024631 k( 342) = ( -0.5000000 0.3576229 0.1274108), wk = 0.0024631 k( 343) = ( -0.5000000 0.3576229 0.1158280), wk = 0.0024631 k( 344) = ( -0.5000000 0.3576229 0.1042452), wk = 0.0024631 k( 345) = ( -0.5000000 0.3576229 0.0926624), wk = 0.0024631 k( 346) = ( -0.5000000 0.3576229 0.0810796), wk = 0.0024631 k( 347) = ( -0.5000000 0.3576229 0.0694968), wk = 0.0024631 k( 348) = ( -0.5000000 0.3576229 0.0579140), wk = 0.0024631 k( 349) = ( -0.5000000 0.3576229 0.0463312), wk = 0.0024631 k( 350) = ( -0.5000000 0.3576229 0.0347484), wk = 0.0024631 k( 351) = ( -0.5000000 0.3576229 0.0231656), wk = 0.0024631 k( 352) = ( -0.5000000 0.3576229 0.0115828), wk = 0.0024631 k( 353) = ( -0.5000000 0.3576229 0.0000000), wk = 0.0024631 k( 354) = ( 0.0000000 0.0000000 0.2316559), wk = 0.0024631 k( 355) = ( -0.0096154 0.0068774 0.2316559), wk = 0.0024631 k( 356) = ( -0.0192308 0.0137547 0.2316559), wk = 0.0024631 k( 357) = ( -0.0288462 0.0206321 0.2316559), wk = 0.0024631 k( 358) = ( -0.0384615 0.0275095 0.2316559), wk = 0.0024631 k( 359) = ( -0.0480769 0.0343868 0.2316559), wk = 0.0024631 k( 360) = ( -0.0576923 0.0412642 0.2316559), wk = 0.0024631 k( 361) = ( -0.0673077 0.0481415 0.2316559), wk = 0.0024631 k( 362) = ( -0.0769231 0.0550189 0.2316559), wk = 0.0024631 k( 363) = ( -0.0865385 0.0618963 0.2316559), wk = 0.0024631 k( 364) = ( -0.0961538 0.0687736 0.2316559), wk = 0.0024631 k( 365) = ( -0.1057692 0.0756510 0.2316559), wk = 0.0024631 k( 366) = ( -0.1153846 0.0825284 0.2316559), wk = 0.0024631 k( 367) = ( -0.1250000 0.0894057 0.2316559), wk = 0.0024631 k( 368) = ( -0.1346154 0.0962831 0.2316559), wk = 0.0024631 k( 369) = ( -0.1442308 0.1031605 0.2316559), wk = 0.0024631 k( 370) = ( -0.1538461 0.1100378 0.2316559), wk = 0.0024631 k( 371) = ( -0.1634615 0.1169152 0.2316559), wk = 0.0024631 k( 372) = ( -0.1730769 0.1237925 0.2316559), wk = 0.0024631 k( 373) = ( -0.1826923 0.1306699 0.2316559), wk = 0.0024631 k( 374) = ( -0.1923077 0.1375473 0.2316559), wk = 0.0024631 k( 375) = ( -0.2019231 0.1444246 0.2316559), wk = 0.0024631 k( 376) = ( -0.2115385 0.1513020 0.2316559), wk = 0.0024631 k( 377) = ( -0.2211539 0.1581794 0.2316559), wk = 0.0024631 k( 378) = ( -0.2307692 0.1650567 0.2316559), wk = 0.0024631 k( 379) = ( -0.2403846 0.1719341 0.2316559), wk = 0.0024631 k( 380) = ( -0.2500000 0.1788114 0.2316559), wk = 0.0024631 k( 381) = ( -0.2596154 0.1856888 0.2316559), wk = 0.0024631 k( 382) = ( -0.2692308 0.1925662 0.2316559), wk = 0.0024631 k( 383) = ( -0.2788462 0.1994435 0.2316559), wk = 0.0024631 k( 384) = ( -0.2884615 0.2063209 0.2316559), wk = 0.0024631 k( 385) = ( -0.2980769 0.2131983 0.2316559), wk = 0.0024631 k( 386) = ( -0.3076923 0.2200756 0.2316559), wk = 0.0024631 k( 387) = ( -0.3173077 0.2269530 0.2316559), wk = 0.0024631 k( 388) = ( -0.3269231 0.2338304 0.2316559), wk = 0.0024631 k( 389) = ( -0.3365385 0.2407077 0.2316559), wk = 0.0024631 k( 390) = ( -0.3461538 0.2475851 0.2316559), wk = 0.0024631 k( 391) = ( -0.3557692 0.2544624 0.2316559), wk = 0.0024631 k( 392) = ( -0.3653846 0.2613398 0.2316559), wk = 0.0024631 k( 393) = ( -0.3750000 0.2682172 0.2316559), wk = 0.0024631 k( 394) = ( -0.3846154 0.2750945 0.2316559), wk = 0.0024631 k( 395) = ( -0.3942308 0.2819719 0.2316559), wk = 0.0024631 k( 396) = ( -0.4038462 0.2888493 0.2316559), wk = 0.0024631 k( 397) = ( -0.4134615 0.2957266 0.2316559), wk = 0.0024631 k( 398) = ( -0.4230769 0.3026040 0.2316559), wk = 0.0024631 k( 399) = ( -0.4326923 0.3094814 0.2316559), wk = 0.0024631 k( 400) = ( -0.4423077 0.3163587 0.2316559), wk = 0.0024631 k( 401) = ( -0.4519231 0.3232361 0.2316559), wk = 0.0024631 k( 402) = ( -0.4615385 0.3301134 0.2316559), wk = 0.0024631 k( 403) = ( -0.4711538 0.3369908 0.2316559), wk = 0.0024631 k( 404) = ( -0.4807692 0.3438682 0.2316559), wk = 0.0024631 k( 405) = ( -0.4903846 0.3507455 0.2316559), wk = 0.0024631 k( 406) = ( -0.5000000 0.3576229 0.2316559), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0068708 0.0068708 0.0000000), wk = 0.0024631 k( 3) = ( 0.0137416 0.0137416 0.0000000), wk = 0.0024631 k( 4) = ( 0.0206124 0.0206124 0.0000000), wk = 0.0024631 k( 5) = ( 0.0274832 0.0274832 0.0000000), wk = 0.0024631 k( 6) = ( 0.0343540 0.0343540 0.0000000), wk = 0.0024631 k( 7) = ( 0.0412248 0.0412248 0.0000000), wk = 0.0024631 k( 8) = ( 0.0480956 0.0480956 -0.0000000), wk = 0.0024631 k( 9) = ( 0.0549664 0.0549664 0.0000000), wk = 0.0024631 k( 10) = ( 0.0618372 0.0618372 0.0000000), wk = 0.0024631 k( 11) = ( 0.0687080 0.0687080 0.0000000), wk = 0.0024631 k( 12) = ( 0.0755788 0.0755788 0.0000000), wk = 0.0024631 k( 13) = ( 0.0824496 0.0824496 0.0000000), wk = 0.0024631 k( 14) = ( 0.0893204 0.0893204 0.0000000), wk = 0.0024631 k( 15) = ( 0.0961912 0.0961912 -0.0000000), wk = 0.0024631 k( 16) = ( 0.1030620 0.1030620 0.0000000), wk = 0.0024631 k( 17) = ( 0.1099328 0.1099328 0.0000000), wk = 0.0024631 k( 18) = ( 0.1168036 0.1168036 -0.0000000), wk = 0.0024631 k( 19) = ( 0.1236745 0.1236745 0.0000000), wk = 0.0024631 k( 20) = ( 0.1305453 0.1305453 0.0000000), wk = 0.0024631 k( 21) = ( 0.1374161 0.1374161 -0.0000000), wk = 0.0024631 k( 22) = ( 0.1442868 0.1442869 -0.0000000), wk = 0.0024631 k( 23) = ( 0.1511577 0.1511577 0.0000000), wk = 0.0024631 k( 24) = ( 0.1580285 0.1580285 0.0000000), wk = 0.0024631 k( 25) = ( 0.1648993 0.1648993 0.0000000), wk = 0.0024631 k( 26) = ( 0.1717701 0.1717701 0.0000000), wk = 0.0024631 k( 27) = ( 0.1786409 0.1786409 0.0000000), wk = 0.0024631 k( 28) = ( 0.1855117 0.1855117 0.0000000), wk = 0.0024631 k( 29) = ( 0.1923825 0.1923825 0.0000000), wk = 0.0024631 k( 30) = ( 0.1992533 0.1992533 0.0000000), wk = 0.0024631 k( 31) = ( 0.2061241 0.2061241 0.0000000), wk = 0.0024631 k( 32) = ( 0.2129949 0.2129949 -0.0000000), wk = 0.0024631 k( 33) = ( 0.2198657 0.2198657 0.0000000), wk = 0.0024631 k( 34) = ( 0.2267365 0.2267365 0.0000000), wk = 0.0024631 k( 35) = ( 0.2336073 0.2336073 0.0000000), wk = 0.0024631 k( 36) = ( 0.2404781 0.2404781 0.0000000), wk = 0.0024631 k( 37) = ( 0.2473489 0.2473489 0.0000000), wk = 0.0024631 k( 38) = ( 0.2542197 0.2542197 -0.0000000), wk = 0.0024631 k( 39) = ( 0.2610905 0.2610905 0.0000000), wk = 0.0024631 k( 40) = ( 0.2679613 0.2679613 0.0000000), wk = 0.0024631 k( 41) = ( 0.2748321 0.2748321 -0.0000000), wk = 0.0024631 k( 42) = ( 0.2817029 0.2817029 0.0000000), wk = 0.0024631 k( 43) = ( 0.2885737 0.2885737 0.0000000), wk = 0.0024631 k( 44) = ( 0.2954445 0.2954445 0.0000000), wk = 0.0024631 k( 45) = ( 0.3023153 0.3023153 0.0000000), wk = 0.0024631 k( 46) = ( 0.3091861 0.3091861 0.0000000), wk = 0.0024631 k( 47) = ( 0.3160569 0.3160569 0.0000000), wk = 0.0024631 k( 48) = ( 0.3229277 0.3229277 0.0000000), wk = 0.0024631 k( 49) = ( 0.3297985 0.3297985 0.0000000), wk = 0.0024631 k( 50) = ( 0.3366693 0.3366693 0.0000000), wk = 0.0024631 k( 51) = ( 0.3435401 0.3435401 0.0000000), wk = 0.0024631 k( 52) = ( 0.3504109 0.3504109 0.0000000), wk = 0.0024631 k( 53) = ( 0.3572817 0.3572817 0.0000000), wk = 0.0024631 k( 54) = ( 0.3641525 0.3641525 0.0000000), wk = 0.0024631 k( 55) = ( 0.3710233 0.3710233 0.0000000), wk = 0.0024631 k( 56) = ( 0.3778941 0.3778941 0.0000000), wk = 0.0024631 k( 57) = ( 0.3778941 0.3778941 0.0000000), wk = 0.0024631 k( 58) = ( 0.3660850 0.3817100 -0.0000000), wk = 0.0024631 k( 59) = ( 0.3542758 0.3855258 -0.0000000), wk = 0.0024631 k( 60) = ( 0.3424666 0.3893416 0.0000000), wk = 0.0024631 k( 61) = ( 0.3306574 0.3931574 0.0000000), wk = 0.0024631 k( 62) = ( 0.3188482 0.3969732 0.0000000), wk = 0.0024631 k( 63) = ( 0.3070390 0.4007890 0.0000000), wk = 0.0024631 k( 64) = ( 0.2952298 0.4046048 -0.0000000), wk = 0.0024631 k( 65) = ( 0.2834206 0.4084206 0.0000000), wk = 0.0024631 k( 66) = ( 0.2716114 0.4122364 0.0000000), wk = 0.0024631 k( 67) = ( 0.2598022 0.4160522 0.0000000), wk = 0.0024631 k( 68) = ( 0.2479930 0.4198680 0.0000000), wk = 0.0024631 k( 69) = ( 0.2361838 0.4236838 0.0000000), wk = 0.0024631 k( 70) = ( 0.2243746 0.4274996 0.0000000), wk = 0.0024631 k( 71) = ( 0.2125654 0.4313154 -0.0000000), wk = 0.0024631 k( 72) = ( 0.2007563 0.4351313 -0.0000000), wk = 0.0024631 k( 73) = ( 0.1889471 0.4389471 -0.0000000), wk = 0.0024631 k( 74) = ( 0.1771379 0.4427629 0.0000000), wk = 0.0024631 k( 75) = ( 0.1653287 0.4465787 0.0000000), wk = 0.0024631 k( 76) = ( 0.1535195 0.4503945 -0.0000000), wk = 0.0024631 k( 77) = ( 0.1417103 0.4542103 -0.0000000), wk = 0.0024631 k( 78) = ( 0.1299011 0.4580261 0.0000000), wk = 0.0024631 k( 79) = ( 0.1180919 0.4618419 0.0000000), wk = 0.0024631 k( 80) = ( 0.1062827 0.4656577 0.0000000), wk = 0.0024631 k( 81) = ( 0.0944735 0.4694735 0.0000000), wk = 0.0024631 k( 82) = ( 0.0826643 0.4732893 0.0000000), wk = 0.0024631 k( 83) = ( 0.0708552 0.4771052 0.0000000), wk = 0.0024631 k( 84) = ( 0.0590460 0.4809210 0.0000000), wk = 0.0024631 k( 85) = ( 0.0472368 0.4847368 0.0000000), wk = 0.0024631 k( 86) = ( 0.0354276 0.4885526 0.0000000), wk = 0.0024631 k( 87) = ( 0.0236184 0.4923684 -0.0000000), wk = 0.0024631 k( 88) = ( 0.0118092 0.4961842 0.0000000), wk = 0.0024631 k( 89) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 90) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 91) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0024631 k( 92) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0024631 k( 93) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0024631 k( 94) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024631 k( 95) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024631 k( 96) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0024631 k( 97) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0024631 k( 98) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024631 k( 99) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0024631 k( 100) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024631 k( 101) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0024631 k( 102) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024631 k( 103) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0024631 k( 104) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0024631 k( 105) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024631 k( 106) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024631 k( 107) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0024631 k( 108) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0024631 k( 109) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0024631 k( 110) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024631 k( 111) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024631 k( 112) = ( 0.0118092 0.4961842 0.5000000), wk = 0.0024631 k( 113) = ( 0.0236184 0.4923684 0.5000000), wk = 0.0024631 k( 114) = ( 0.0354276 0.4885526 0.5000000), wk = 0.0024631 k( 115) = ( 0.0472368 0.4847368 0.5000000), wk = 0.0024631 k( 116) = ( 0.0590460 0.4809210 0.5000000), wk = 0.0024631 k( 117) = ( 0.0708552 0.4771052 0.5000000), wk = 0.0024631 k( 118) = ( 0.0826643 0.4732893 0.5000000), wk = 0.0024631 k( 119) = ( 0.0944735 0.4694735 0.5000000), wk = 0.0024631 k( 120) = ( 0.1062827 0.4656577 0.5000000), wk = 0.0024631 k( 121) = ( 0.1180919 0.4618419 0.5000000), wk = 0.0024631 k( 122) = ( 0.1299011 0.4580261 0.5000000), wk = 0.0024631 k( 123) = ( 0.1417103 0.4542103 0.5000000), wk = 0.0024631 k( 124) = ( 0.1535195 0.4503945 0.5000000), wk = 0.0024631 k( 125) = ( 0.1653287 0.4465787 0.5000000), wk = 0.0024631 k( 126) = ( 0.1771379 0.4427629 0.5000000), wk = 0.0024631 k( 127) = ( 0.1889471 0.4389471 0.5000000), wk = 0.0024631 k( 128) = ( 0.2007563 0.4351313 0.5000000), wk = 0.0024631 k( 129) = ( 0.2125654 0.4313154 0.5000000), wk = 0.0024631 k( 130) = ( 0.2243746 0.4274996 0.5000000), wk = 0.0024631 k( 131) = ( 0.2361838 0.4236838 0.5000000), wk = 0.0024631 k( 132) = ( 0.2479930 0.4198680 0.5000000), wk = 0.0024631 k( 133) = ( 0.2598022 0.4160522 0.5000000), wk = 0.0024631 k( 134) = ( 0.2716114 0.4122364 0.5000000), wk = 0.0024631 k( 135) = ( 0.2834206 0.4084206 0.5000000), wk = 0.0024631 k( 136) = ( 0.2952298 0.4046048 0.5000000), wk = 0.0024631 k( 137) = ( 0.3070390 0.4007890 0.5000000), wk = 0.0024631 k( 138) = ( 0.3188482 0.3969732 0.5000000), wk = 0.0024631 k( 139) = ( 0.3306574 0.3931574 0.5000000), wk = 0.0024631 k( 140) = ( 0.3424666 0.3893416 0.5000000), wk = 0.0024631 k( 141) = ( 0.3542758 0.3855258 0.5000000), wk = 0.0024631 k( 142) = ( 0.3660850 0.3817100 0.5000000), wk = 0.0024631 k( 143) = ( 0.3778941 0.3778941 0.5000000), wk = 0.0024631 k( 144) = ( 0.3778941 0.3778941 0.5000000), wk = 0.0024631 k( 145) = ( 0.3710233 0.3710233 0.5000000), wk = 0.0024631 k( 146) = ( 0.3641525 0.3641525 0.5000000), wk = 0.0024631 k( 147) = ( 0.3572817 0.3572817 0.5000000), wk = 0.0024631 k( 148) = ( 0.3504109 0.3504109 0.5000000), wk = 0.0024631 k( 149) = ( 0.3435401 0.3435401 0.5000000), wk = 0.0024631 k( 150) = ( 0.3366693 0.3366693 0.5000000), wk = 0.0024631 k( 151) = ( 0.3297985 0.3297985 0.5000000), wk = 0.0024631 k( 152) = ( 0.3229277 0.3229277 0.5000000), wk = 0.0024631 k( 153) = ( 0.3160569 0.3160569 0.5000000), wk = 0.0024631 k( 154) = ( 0.3091861 0.3091861 0.5000000), wk = 0.0024631 k( 155) = ( 0.3023153 0.3023153 0.5000000), wk = 0.0024631 k( 156) = ( 0.2954445 0.2954445 0.5000000), wk = 0.0024631 k( 157) = ( 0.2885737 0.2885737 0.5000000), wk = 0.0024631 k( 158) = ( 0.2817029 0.2817029 0.5000000), wk = 0.0024631 k( 159) = ( 0.2748321 0.2748321 0.5000000), wk = 0.0024631 k( 160) = ( 0.2679613 0.2679613 0.5000000), wk = 0.0024631 k( 161) = ( 0.2610905 0.2610905 0.5000000), wk = 0.0024631 k( 162) = ( 0.2542197 0.2542197 0.5000000), wk = 0.0024631 k( 163) = ( 0.2473489 0.2473489 0.5000000), wk = 0.0024631 k( 164) = ( 0.2404781 0.2404781 0.5000000), wk = 0.0024631 k( 165) = ( 0.2336073 0.2336073 0.5000000), wk = 0.0024631 k( 166) = ( 0.2267365 0.2267365 0.5000000), wk = 0.0024631 k( 167) = ( 0.2198657 0.2198657 0.5000000), wk = 0.0024631 k( 168) = ( 0.2129949 0.2129949 0.5000000), wk = 0.0024631 k( 169) = ( 0.2061241 0.2061241 0.5000000), wk = 0.0024631 k( 170) = ( 0.1992533 0.1992533 0.5000000), wk = 0.0024631 k( 171) = ( 0.1923825 0.1923825 0.5000000), wk = 0.0024631 k( 172) = ( 0.1855117 0.1855117 0.5000000), wk = 0.0024631 k( 173) = ( 0.1786409 0.1786409 0.5000000), wk = 0.0024631 k( 174) = ( 0.1717701 0.1717701 0.5000000), wk = 0.0024631 k( 175) = ( 0.1648993 0.1648993 0.5000000), wk = 0.0024631 k( 176) = ( 0.1580285 0.1580285 0.5000000), wk = 0.0024631 k( 177) = ( 0.1511577 0.1511577 0.5000000), wk = 0.0024631 k( 178) = ( 0.1442868 0.1442869 0.5000000), wk = 0.0024631 k( 179) = ( 0.1374161 0.1374161 0.5000000), wk = 0.0024631 k( 180) = ( 0.1305453 0.1305453 0.5000000), wk = 0.0024631 k( 181) = ( 0.1236745 0.1236745 0.5000000), wk = 0.0024631 k( 182) = ( 0.1168036 0.1168036 0.5000000), wk = 0.0024631 k( 183) = ( 0.1099328 0.1099328 0.5000000), wk = 0.0024631 k( 184) = ( 0.1030620 0.1030620 0.5000000), wk = 0.0024631 k( 185) = ( 0.0961912 0.0961912 0.5000000), wk = 0.0024631 k( 186) = ( 0.0893204 0.0893204 0.5000000), wk = 0.0024631 k( 187) = ( 0.0824496 0.0824496 0.5000000), wk = 0.0024631 k( 188) = ( 0.0755788 0.0755788 0.5000000), wk = 0.0024631 k( 189) = ( 0.0687080 0.0687080 0.5000000), wk = 0.0024631 k( 190) = ( 0.0618372 0.0618372 0.5000000), wk = 0.0024631 k( 191) = ( 0.0549664 0.0549664 0.5000000), wk = 0.0024631 k( 192) = ( 0.0480956 0.0480956 0.5000000), wk = 0.0024631 k( 193) = ( 0.0412248 0.0412248 0.5000000), wk = 0.0024631 k( 194) = ( 0.0343540 0.0343540 0.5000000), wk = 0.0024631 k( 195) = ( 0.0274832 0.0274832 0.5000000), wk = 0.0024631 k( 196) = ( 0.0206124 0.0206124 0.5000000), wk = 0.0024631 k( 197) = ( 0.0137416 0.0137416 0.5000000), wk = 0.0024631 k( 198) = ( 0.0068708 0.0068708 0.5000000), wk = 0.0024631 k( 199) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 201) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0024631 k( 202) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024631 k( 203) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0024631 k( 204) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024631 k( 205) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024631 k( 206) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024631 k( 207) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0024631 k( 208) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024631 k( 209) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0024631 k( 210) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024631 k( 211) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0024631 k( 212) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024631 k( 213) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0024631 k( 214) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024631 k( 215) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024631 k( 216) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024631 k( 217) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0024631 k( 218) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024631 k( 219) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0024631 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 222) = ( -0.0096154 0.0096154 -0.0000000), wk = 0.0024631 k( 223) = ( -0.0192308 0.0192308 0.0000000), wk = 0.0024631 k( 224) = ( -0.0288462 0.0288461 -0.0000000), wk = 0.0024631 k( 225) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0024631 k( 226) = ( -0.0480769 0.0480769 -0.0000000), wk = 0.0024631 k( 227) = ( -0.0576923 0.0576923 0.0000000), wk = 0.0024631 k( 228) = ( -0.0673077 0.0673077 0.0000000), wk = 0.0024631 k( 229) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0024631 k( 230) = ( -0.0865385 0.0865385 0.0000000), wk = 0.0024631 k( 231) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0024631 k( 232) = ( -0.1057692 0.1057692 0.0000000), wk = 0.0024631 k( 233) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0024631 k( 234) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0024631 k( 235) = ( -0.1346154 0.1346154 0.0000000), wk = 0.0024631 k( 236) = ( -0.1442308 0.1442308 0.0000000), wk = 0.0024631 k( 237) = ( -0.1538461 0.1538461 0.0000000), wk = 0.0024631 k( 238) = ( -0.1634615 0.1634615 -0.0000000), wk = 0.0024631 k( 239) = ( -0.1730769 0.1730769 0.0000000), wk = 0.0024631 k( 240) = ( -0.1826923 0.1826923 0.0000000), wk = 0.0024631 k( 241) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0024631 k( 242) = ( -0.2019231 0.2019231 -0.0000000), wk = 0.0024631 k( 243) = ( -0.2115385 0.2115385 0.0000000), wk = 0.0024631 k( 244) = ( -0.2211539 0.2211539 -0.0000000), wk = 0.0024631 k( 245) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0024631 k( 246) = ( -0.2403846 0.2403846 -0.0000000), wk = 0.0024631 k( 247) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024631 k( 248) = ( -0.2596154 0.2596154 0.0000000), wk = 0.0024631 k( 249) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0024631 k( 250) = ( -0.2788462 0.2788462 0.0000000), wk = 0.0024631 k( 251) = ( -0.2884615 0.2884615 0.0000000), wk = 0.0024631 k( 252) = ( -0.2980769 0.2980769 0.0000000), wk = 0.0024631 k( 253) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0024631 k( 254) = ( -0.3173077 0.3173077 0.0000000), wk = 0.0024631 k( 255) = ( -0.3269231 0.3269231 -0.0000000), wk = 0.0024631 k( 256) = ( -0.3365385 0.3365385 0.0000000), wk = 0.0024631 k( 257) = ( -0.3461538 0.3461538 -0.0000000), wk = 0.0024631 k( 258) = ( -0.3557692 0.3557692 -0.0000000), wk = 0.0024631 k( 259) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0024631 k( 260) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0024631 k( 261) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0024631 k( 262) = ( -0.3942308 0.3942308 0.0000000), wk = 0.0024631 k( 263) = ( -0.4038462 0.4038462 0.0000000), wk = 0.0024631 k( 264) = ( -0.4134615 0.4134615 -0.0000000), wk = 0.0024631 k( 265) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0024631 k( 266) = ( -0.4326923 0.4326923 -0.0000000), wk = 0.0024631 k( 267) = ( -0.4423077 0.4423077 0.0000000), wk = 0.0024631 k( 268) = ( -0.4519231 0.4519231 -0.0000000), wk = 0.0024631 k( 269) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0024631 k( 270) = ( -0.4711538 0.4711539 0.0000000), wk = 0.0024631 k( 271) = ( -0.4807692 0.4807692 0.0000000), wk = 0.0024631 k( 272) = ( -0.4903846 0.4903846 -0.0000000), wk = 0.0024631 k( 273) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 274) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 275) = ( -0.4932163 0.5067837 -0.0000000), wk = 0.0024631 k( 276) = ( -0.4864327 0.5135673 0.0000000), wk = 0.0024631 k( 277) = ( -0.4796490 0.5203510 0.0000000), wk = 0.0024631 k( 278) = ( -0.4728654 0.5271346 -0.0000000), wk = 0.0024631 k( 279) = ( -0.4660817 0.5339183 0.0000000), wk = 0.0024631 k( 280) = ( -0.4592981 0.5407019 0.0000000), wk = 0.0024631 k( 281) = ( -0.4525144 0.5474856 0.0000000), wk = 0.0024631 k( 282) = ( -0.4457307 0.5542693 -0.0000000), wk = 0.0024631 k( 283) = ( -0.4389471 0.5610529 0.0000000), wk = 0.0024631 k( 284) = ( -0.4321634 0.5678366 -0.0000000), wk = 0.0024631 k( 285) = ( -0.4253798 0.5746203 0.0000000), wk = 0.0024631 k( 286) = ( -0.4185961 0.5814039 -0.0000000), wk = 0.0024631 k( 287) = ( -0.4118124 0.5881876 0.0000000), wk = 0.0024631 k( 288) = ( -0.4050288 0.5949712 0.0000000), wk = 0.0024631 k( 289) = ( -0.3982451 0.6017549 0.0000000), wk = 0.0024631 k( 290) = ( -0.3914615 0.6085385 0.0000000), wk = 0.0024631 k( 291) = ( -0.3846778 0.6153222 0.0000000), wk = 0.0024631 k( 292) = ( -0.3778941 0.6221059 -0.0000000), wk = 0.0024631 k( 293) = ( -0.3778941 0.6221059 -0.0000000), wk = 0.0024631 k( 294) = ( -0.3778941 0.6221059 0.0250000), wk = 0.0024631 k( 295) = ( -0.3778941 0.6221059 0.0500000), wk = 0.0024631 k( 296) = ( -0.3778941 0.6221059 0.0750000), wk = 0.0024631 k( 297) = ( -0.3778941 0.6221059 0.1000000), wk = 0.0024631 k( 298) = ( -0.3778941 0.6221059 0.1250000), wk = 0.0024631 k( 299) = ( -0.3778941 0.6221059 0.1500000), wk = 0.0024631 k( 300) = ( -0.3778941 0.6221059 0.1750000), wk = 0.0024631 k( 301) = ( -0.3778941 0.6221059 0.2000000), wk = 0.0024631 k( 302) = ( -0.3778941 0.6221059 0.2250000), wk = 0.0024631 k( 303) = ( -0.3778941 0.6221059 0.2500000), wk = 0.0024631 k( 304) = ( -0.3778941 0.6221059 0.2750000), wk = 0.0024631 k( 305) = ( -0.3778941 0.6221059 0.3000000), wk = 0.0024631 k( 306) = ( -0.3778941 0.6221059 0.3250000), wk = 0.0024631 k( 307) = ( -0.3778941 0.6221059 0.3500000), wk = 0.0024631 k( 308) = ( -0.3778941 0.6221059 0.3750000), wk = 0.0024631 k( 309) = ( -0.3778941 0.6221059 0.4000000), wk = 0.0024631 k( 310) = ( -0.3778941 0.6221059 0.4250000), wk = 0.0024631 k( 311) = ( -0.3778941 0.6221059 0.4500000), wk = 0.0024631 k( 312) = ( -0.3778941 0.6221059 0.4750000), wk = 0.0024631 k( 313) = ( -0.3778941 0.6221059 0.5000000), wk = 0.0024631 k( 314) = ( -0.3778941 0.6221059 0.5000000), wk = 0.0024631 k( 315) = ( -0.3846778 0.6153222 0.5000000), wk = 0.0024631 k( 316) = ( -0.3914615 0.6085385 0.5000000), wk = 0.0024631 k( 317) = ( -0.3982451 0.6017549 0.5000000), wk = 0.0024631 k( 318) = ( -0.4050288 0.5949712 0.5000000), wk = 0.0024631 k( 319) = ( -0.4118124 0.5881876 0.5000000), wk = 0.0024631 k( 320) = ( -0.4185961 0.5814039 0.5000000), wk = 0.0024631 k( 321) = ( -0.4253798 0.5746203 0.5000000), wk = 0.0024631 k( 322) = ( -0.4321634 0.5678366 0.5000000), wk = 0.0024631 k( 323) = ( -0.4389471 0.5610529 0.5000000), wk = 0.0024631 k( 324) = ( -0.4457307 0.5542693 0.5000000), wk = 0.0024631 k( 325) = ( -0.4525144 0.5474856 0.5000000), wk = 0.0024631 k( 326) = ( -0.4592981 0.5407019 0.5000000), wk = 0.0024631 k( 327) = ( -0.4660817 0.5339183 0.5000000), wk = 0.0024631 k( 328) = ( -0.4728654 0.5271346 0.5000000), wk = 0.0024631 k( 329) = ( -0.4796490 0.5203510 0.5000000), wk = 0.0024631 k( 330) = ( -0.4864327 0.5135673 0.5000000), wk = 0.0024631 k( 331) = ( -0.4932163 0.5067837 0.5000000), wk = 0.0024631 k( 332) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 333) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 334) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0024631 k( 335) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0024631 k( 336) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0024631 k( 337) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024631 k( 338) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0024631 k( 339) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0024631 k( 340) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0024631 k( 341) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024631 k( 342) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0024631 k( 343) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024631 k( 344) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0024631 k( 345) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024631 k( 346) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0024631 k( 347) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0024631 k( 348) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0024631 k( 349) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024631 k( 350) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0024631 k( 351) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0024631 k( 352) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0024631 k( 353) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024631 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 355) = ( -0.0096154 0.0096154 0.5000000), wk = 0.0024631 k( 356) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0024631 k( 357) = ( -0.0288462 0.0288461 0.5000000), wk = 0.0024631 k( 358) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0024631 k( 359) = ( -0.0480769 0.0480769 0.5000000), wk = 0.0024631 k( 360) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0024631 k( 361) = ( -0.0673077 0.0673077 0.5000000), wk = 0.0024631 k( 362) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0024631 k( 363) = ( -0.0865385 0.0865385 0.5000000), wk = 0.0024631 k( 364) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0024631 k( 365) = ( -0.1057692 0.1057692 0.5000000), wk = 0.0024631 k( 366) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0024631 k( 367) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024631 k( 368) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0024631 k( 369) = ( -0.1442308 0.1442308 0.5000000), wk = 0.0024631 k( 370) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0024631 k( 371) = ( -0.1634615 0.1634615 0.5000000), wk = 0.0024631 k( 372) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0024631 k( 373) = ( -0.1826923 0.1826923 0.5000000), wk = 0.0024631 k( 374) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0024631 k( 375) = ( -0.2019231 0.2019231 0.5000000), wk = 0.0024631 k( 376) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0024631 k( 377) = ( -0.2211539 0.2211539 0.5000000), wk = 0.0024631 k( 378) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0024631 k( 379) = ( -0.2403846 0.2403846 0.5000000), wk = 0.0024631 k( 380) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024631 k( 381) = ( -0.2596154 0.2596154 0.5000000), wk = 0.0024631 k( 382) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0024631 k( 383) = ( -0.2788462 0.2788462 0.5000000), wk = 0.0024631 k( 384) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0024631 k( 385) = ( -0.2980769 0.2980769 0.5000000), wk = 0.0024631 k( 386) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0024631 k( 387) = ( -0.3173077 0.3173077 0.5000000), wk = 0.0024631 k( 388) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0024631 k( 389) = ( -0.3365385 0.3365385 0.5000000), wk = 0.0024631 k( 390) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0024631 k( 391) = ( -0.3557692 0.3557692 0.5000000), wk = 0.0024631 k( 392) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0024631 k( 393) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024631 k( 394) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0024631 k( 395) = ( -0.3942308 0.3942308 0.5000000), wk = 0.0024631 k( 396) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0024631 k( 397) = ( -0.4134615 0.4134615 0.5000000), wk = 0.0024631 k( 398) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0024631 k( 399) = ( -0.4326923 0.4326923 0.5000000), wk = 0.0024631 k( 400) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0024631 k( 401) = ( -0.4519231 0.4519231 0.5000000), wk = 0.0024631 k( 402) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0024631 k( 403) = ( -0.4711538 0.4711539 0.5000000), wk = 0.0024631 k( 404) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0024631 k( 405) = ( -0.4903846 0.4903846 0.5000000), wk = 0.0024631 k( 406) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024631 Dense grid: 42041 G-vectors FFT dimensions: ( 36, 36, 75) Smooth grid: 31315 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 228, 36) NL pseudopotentials 0.24 Mb ( 114, 136) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1165) G-vector shells 0.00 Mb ( 594) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 228, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Cl2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.2 secs Computing kpt #: 17 total cpu time spent up to now is 4.4 secs Computing kpt #: 18 total cpu time spent up to now is 4.6 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.2 secs Computing kpt #: 22 total cpu time spent up to now is 5.4 secs Computing kpt #: 23 total cpu time spent up to now is 5.6 secs Computing kpt #: 24 total cpu time spent up to now is 5.8 secs Computing kpt #: 25 total cpu time spent up to now is 6.0 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.4 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.8 secs Computing kpt #: 30 total cpu time spent up to now is 7.1 secs Computing kpt #: 31 total cpu time spent up to now is 7.3 secs Computing kpt #: 32 total cpu time spent up to now is 7.6 secs Computing kpt #: 33 total cpu time spent up to now is 7.9 secs Computing kpt #: 34 total cpu time spent up to now is 8.2 secs Computing kpt #: 35 total cpu time spent up to now is 8.5 secs Computing kpt #: 36 total cpu time spent up to now is 8.7 secs Computing kpt #: 37 total cpu time spent up to now is 9.0 secs Computing kpt #: 38 total cpu time spent up to now is 9.2 secs Computing kpt #: 39 total cpu time spent up to now is 9.5 secs Computing kpt #: 40 total cpu time spent up to now is 9.7 secs Computing kpt #: 41 total cpu time spent up to now is 9.9 secs Computing kpt #: 42 total cpu time spent up to now is 10.1 secs Computing kpt #: 43 total cpu time spent up to now is 10.4 secs Computing kpt #: 44 total cpu time spent up to now is 10.6 secs Computing kpt #: 45 total cpu time spent up to now is 10.8 secs Computing kpt #: 46 total cpu time spent up to now is 11.0 secs Computing kpt #: 47 total cpu time spent up to now is 11.2 secs Computing kpt #: 48 total cpu time spent up to now is 11.4 secs Computing kpt #: 49 total cpu time spent up to now is 11.6 secs Computing kpt #: 50 total cpu time spent up to now is 11.8 secs Computing kpt #: 51 total cpu time spent up to now is 12.0 secs Computing kpt #: 52 total cpu time spent up to now is 12.3 secs Computing kpt #: 53 total cpu time spent up to now is 12.5 secs Computing kpt #: 54 total cpu time spent up to now is 12.8 secs Computing kpt #: 55 total cpu time spent up to now is 13.0 secs Computing kpt #: 56 total cpu time spent up to now is 13.3 secs Computing kpt #: 57 total cpu time spent up to now is 13.5 secs Computing kpt #: 58 total cpu time spent up to now is 13.8 secs Computing kpt #: 59 total cpu time spent up to now is 14.0 secs Computing kpt #: 60 total cpu time spent up to now is 14.3 secs Computing kpt #: 61 total cpu time spent up to now is 14.5 secs Computing kpt #: 62 total cpu time spent up to now is 14.7 secs Computing kpt #: 63 total cpu time spent up to now is 15.0 secs Computing kpt #: 64 total cpu time spent up to now is 15.2 secs Computing kpt #: 65 total cpu time spent up to now is 15.4 secs Computing kpt #: 66 total cpu time spent up to now is 15.6 secs Computing kpt #: 67 total cpu time spent up to now is 15.9 secs Computing kpt #: 68 total cpu time spent up to now is 16.1 secs Computing kpt #: 69 total cpu time spent up to now is 16.3 secs Computing kpt #: 70 total cpu time spent up to now is 16.5 secs Computing kpt #: 71 total cpu time spent up to now is 16.7 secs Computing kpt #: 72 total cpu time spent up to now is 17.0 secs Computing kpt #: 73 total cpu time spent up to now is 17.2 secs Computing kpt #: 74 total cpu time spent up to now is 17.5 secs Computing kpt #: 75 total cpu time spent up to now is 17.8 secs Computing kpt #: 76 total cpu time spent up to now is 18.0 secs Computing kpt #: 77 total cpu time spent up to now is 18.3 secs Computing kpt #: 78 total cpu time spent up to now is 18.5 secs Computing kpt #: 79 total cpu time spent up to now is 18.8 secs Computing kpt #: 80 total cpu time spent up to now is 19.0 secs Computing kpt #: 81 total cpu time spent up to now is 19.3 secs Computing kpt #: 82 total cpu time spent up to now is 19.5 secs Computing kpt #: 83 total cpu time spent up to now is 19.8 secs Computing kpt #: 84 total cpu time spent up to now is 20.0 secs Computing kpt #: 85 total cpu time spent up to now is 20.3 secs Computing kpt #: 86 total cpu time spent up to now is 20.5 secs Computing kpt #: 87 total cpu time spent up to now is 20.7 secs Computing kpt #: 88 total cpu time spent up to now is 20.9 secs Computing kpt #: 89 total cpu time spent up to now is 21.1 secs Computing kpt #: 90 total cpu time spent up to now is 21.4 secs Computing kpt #: 91 total cpu time spent up to now is 21.6 secs Computing kpt #: 92 total cpu time spent up to now is 21.8 secs Computing kpt #: 93 total cpu time spent up to now is 22.0 secs Computing kpt #: 94 total cpu time spent up to now is 22.2 secs Computing kpt #: 95 total cpu time spent up to now is 22.4 secs Computing kpt #: 96 total cpu time spent up to now is 22.7 secs Computing kpt #: 97 total cpu time spent up to now is 22.9 secs Computing kpt #: 98 total cpu time spent up to now is 23.1 secs Computing kpt #: 99 total cpu time spent up to now is 23.3 secs Computing kpt #: 100 total cpu time spent up to now is 23.5 secs Computing kpt #: 101 total cpu time spent up to now is 23.7 secs Computing kpt #: 102 total cpu time spent up to now is 23.9 secs Computing kpt #: 103 total cpu time spent up to now is 24.1 secs Computing kpt #: 104 total cpu time spent up to now is 24.3 secs Computing kpt #: 105 total cpu time spent up to now is 24.6 secs Computing kpt #: 106 total cpu time spent up to now is 24.8 secs Computing kpt #: 107 total cpu time spent up to now is 25.0 secs Computing kpt #: 108 total cpu time spent up to now is 25.2 secs Computing kpt #: 109 total cpu time spent up to now is 25.4 secs Computing kpt #: 110 total cpu time spent up to now is 25.6 secs Computing kpt #: 111 total cpu time spent up to now is 25.8 secs Computing kpt #: 112 total cpu time spent up to now is 26.0 secs Computing kpt #: 113 total cpu time spent up to now is 26.2 secs Computing kpt #: 114 total cpu time spent up to now is 26.4 secs Computing kpt #: 115 total cpu time spent up to now is 26.7 secs Computing kpt #: 116 total cpu time spent up to now is 26.9 secs Computing kpt #: 117 total cpu time spent up to now is 27.1 secs Computing kpt #: 118 total cpu time spent up to now is 27.3 secs Computing kpt #: 119 total cpu time spent up to now is 27.5 secs Computing kpt #: 120 total cpu time spent up to now is 27.8 secs Computing kpt #: 121 total cpu time spent up to now is 28.0 secs Computing kpt #: 122 total cpu time spent up to now is 28.2 secs Computing kpt #: 123 total cpu time spent up to now is 28.5 secs Computing kpt #: 124 total cpu time spent up to now is 28.7 secs Computing kpt #: 125 total cpu time spent up to now is 29.0 secs Computing kpt #: 126 total cpu time spent up to now is 29.2 secs Computing kpt #: 127 total cpu time spent up to now is 29.5 secs Computing kpt #: 128 total cpu time spent up to now is 29.7 secs Computing kpt #: 129 total cpu time spent up to now is 30.0 secs Computing kpt #: 130 total cpu time spent up to now is 30.3 secs Computing kpt #: 131 total cpu time spent up to now is 30.5 secs Computing kpt #: 132 total cpu time spent up to now is 30.8 secs Computing kpt #: 133 total cpu time spent up to now is 31.1 secs Computing kpt #: 134 total cpu time spent up to now is 31.4 secs Computing kpt #: 135 total cpu time spent up to now is 31.7 secs Computing kpt #: 136 total cpu time spent up to now is 31.9 secs Computing kpt #: 137 total cpu time spent up to now is 32.2 secs Computing kpt #: 138 total cpu time spent up to now is 32.5 secs Computing kpt #: 139 total cpu time spent up to now is 32.8 secs Computing kpt #: 140 total cpu time spent up to now is 33.1 secs Computing kpt #: 141 total cpu time spent up to now is 33.4 secs Computing kpt #: 142 total cpu time spent up to now is 33.7 secs Computing kpt #: 143 total cpu time spent up to now is 34.0 secs Computing kpt #: 144 total cpu time spent up to now is 34.3 secs Computing kpt #: 145 total cpu time spent up to now is 34.6 secs Computing kpt #: 146 total cpu time spent up to now is 34.9 secs Computing kpt #: 147 total cpu time spent up to now is 35.2 secs Computing kpt #: 148 total cpu time spent up to now is 35.5 secs Computing kpt #: 149 total cpu time spent up to now is 35.8 secs Computing kpt #: 150 total cpu time spent up to now is 36.2 secs Computing kpt #: 151 total cpu time spent up to now is 36.6 secs Computing kpt #: 152 total cpu time spent up to now is 37.0 secs Computing kpt #: 153 total cpu time spent up to now is 37.4 secs Computing kpt #: 154 total cpu time spent up to now is 37.9 secs Computing kpt #: 155 total cpu time spent up to now is 38.3 secs Computing kpt #: 156 total cpu time spent up to now is 38.7 secs Computing kpt #: 157 total cpu time spent up to now is 39.2 secs Computing kpt #: 158 total cpu time spent up to now is 39.6 secs Computing kpt #: 159 total cpu time spent up to now is 39.9 secs Computing kpt #: 160 total cpu time spent up to now is 40.2 secs Computing kpt #: 161 total cpu time spent up to now is 40.5 secs Computing kpt #: 162 total cpu time spent up to now is 40.8 secs Computing kpt #: 163 total cpu time spent up to now is 41.0 secs Computing kpt #: 164 total cpu time spent up to now is 41.3 secs Computing kpt #: 165 total cpu time spent up to now is 41.5 secs Computing kpt #: 166 total cpu time spent up to now is 41.7 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 42.4 secs Computing kpt #: 170 total cpu time spent up to now is 42.6 secs Computing kpt #: 171 total cpu time spent up to now is 42.8 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 43.2 secs Computing kpt #: 174 total cpu time spent up to now is 43.4 secs Computing kpt #: 175 total cpu time spent up to now is 43.6 secs Computing kpt #: 176 total cpu time spent up to now is 43.8 secs Computing kpt #: 177 total cpu time spent up to now is 44.0 secs Computing kpt #: 178 total cpu time spent up to now is 44.2 secs Computing kpt #: 179 total cpu time spent up to now is 44.3 secs Computing kpt #: 180 total cpu time spent up to now is 44.5 secs Computing kpt #: 181 total cpu time spent up to now is 44.7 secs Computing kpt #: 182 total cpu time spent up to now is 44.9 secs Computing kpt #: 183 total cpu time spent up to now is 45.1 secs Computing kpt #: 184 total cpu time spent up to now is 45.3 secs Computing kpt #: 185 total cpu time spent up to now is 45.5 secs Computing kpt #: 186 total cpu time spent up to now is 45.7 secs Computing kpt #: 187 total cpu time spent up to now is 45.9 secs Computing kpt #: 188 total cpu time spent up to now is 46.1 secs Computing kpt #: 189 total cpu time spent up to now is 46.2 secs Computing kpt #: 190 total cpu time spent up to now is 46.4 secs Computing kpt #: 191 total cpu time spent up to now is 46.6 secs Computing kpt #: 192 total cpu time spent up to now is 46.8 secs Computing kpt #: 193 total cpu time spent up to now is 47.0 secs Computing kpt #: 194 total cpu time spent up to now is 47.2 secs Computing kpt #: 195 total cpu time spent up to now is 47.4 secs Computing kpt #: 196 total cpu time spent up to now is 47.6 secs Computing kpt #: 197 total cpu time spent up to now is 47.8 secs Computing kpt #: 198 total cpu time spent up to now is 48.0 secs Computing kpt #: 199 total cpu time spent up to now is 48.2 secs Computing kpt #: 200 total cpu time spent up to now is 48.4 secs Computing kpt #: 201 total cpu time spent up to now is 48.6 secs Computing kpt #: 202 total cpu time spent up to now is 48.8 secs Computing kpt #: 203 total cpu time spent up to now is 48.9 secs Computing kpt #: 204 total cpu time spent up to now is 49.1 secs Computing kpt #: 205 total cpu time spent up to now is 49.3 secs Computing kpt #: 206 total cpu time spent up to now is 49.5 secs Computing kpt #: 207 total cpu time spent up to now is 49.7 secs Computing kpt #: 208 total cpu time spent up to now is 49.9 secs Computing kpt #: 209 total cpu time spent up to now is 50.1 secs Computing kpt #: 210 total cpu time spent up to now is 50.3 secs Computing kpt #: 211 total cpu time spent up to now is 50.5 secs Computing kpt #: 212 total cpu time spent up to now is 50.7 secs Computing kpt #: 213 total cpu time spent up to now is 50.9 secs Computing kpt #: 214 total cpu time spent up to now is 51.1 secs Computing kpt #: 215 total cpu time spent up to now is 51.2 secs Computing kpt #: 216 total cpu time spent up to now is 51.4 secs Computing kpt #: 217 total cpu time spent up to now is 51.6 secs Computing kpt #: 218 total cpu time spent up to now is 51.8 secs Computing kpt #: 219 total cpu time spent up to now is 52.0 secs Computing kpt #: 220 total cpu time spent up to now is 52.2 secs Computing kpt #: 221 total cpu time spent up to now is 52.4 secs Computing kpt #: 222 total cpu time spent up to now is 52.5 secs Computing kpt #: 223 total cpu time spent up to now is 52.7 secs Computing kpt #: 224 total cpu time spent up to now is 52.9 secs Computing kpt #: 225 total cpu time spent up to now is 53.1 secs Computing kpt #: 226 total cpu time spent up to now is 53.3 secs Computing kpt #: 227 total cpu time spent up to now is 53.5 secs Computing kpt #: 228 total cpu time spent up to now is 53.7 secs Computing kpt #: 229 total cpu time spent up to now is 53.9 secs Computing kpt #: 230 total cpu time spent up to now is 54.2 secs Computing kpt #: 231 total cpu time spent up to now is 54.4 secs Computing kpt #: 232 total cpu time spent up to now is 54.7 secs Computing kpt #: 233 total cpu time spent up to now is 54.9 secs Computing kpt #: 234 total cpu time spent up to now is 55.2 secs Computing kpt #: 235 total cpu time spent up to now is 55.4 secs Computing kpt #: 236 total cpu time spent up to now is 55.6 secs Computing kpt #: 237 total cpu time spent up to now is 55.8 secs Computing kpt #: 238 total cpu time spent up to now is 56.1 secs Computing kpt #: 239 total cpu time spent up to now is 56.3 secs Computing kpt #: 240 total cpu time spent up to now is 56.5 secs Computing kpt #: 241 total cpu time spent up to now is 56.8 secs Computing kpt #: 242 total cpu time spent up to now is 57.0 secs Computing kpt #: 243 total cpu time spent up to now is 57.3 secs Computing kpt #: 244 total cpu time spent up to now is 57.6 secs Computing kpt #: 245 total cpu time spent up to now is 57.8 secs Computing kpt #: 246 total cpu time spent up to now is 58.1 secs Computing kpt #: 247 total cpu time spent up to now is 58.4 secs Computing kpt #: 248 total cpu time spent up to now is 58.7 secs Computing kpt #: 249 total cpu time spent up to now is 58.9 secs Computing kpt #: 250 total cpu time spent up to now is 59.3 secs Computing kpt #: 251 total cpu time spent up to now is 59.7 secs Computing kpt #: 252 total cpu time spent up to now is 60.1 secs Computing kpt #: 253 total cpu time spent up to now is 60.4 secs Computing kpt #: 254 total cpu time spent up to now is 60.8 secs Computing kpt #: 255 total cpu time spent up to now is 61.0 secs Computing kpt #: 256 total cpu time spent up to now is 61.4 secs Computing kpt #: 257 total cpu time spent up to now is 61.7 secs Computing kpt #: 258 total cpu time spent up to now is 62.0 secs Computing kpt #: 259 total cpu time spent up to now is 62.2 secs Computing kpt #: 260 total cpu time spent up to now is 62.5 secs Computing kpt #: 261 total cpu time spent up to now is 62.7 secs Computing kpt #: 262 total cpu time spent up to now is 63.0 secs Computing kpt #: 263 total cpu time spent up to now is 63.2 secs Computing kpt #: 264 total cpu time spent up to now is 63.5 secs Computing kpt #: 265 total cpu time spent up to now is 63.7 secs Computing kpt #: 266 total cpu time spent up to now is 64.0 secs Computing kpt #: 267 total cpu time spent up to now is 64.2 secs Computing kpt #: 268 total cpu time spent up to now is 64.5 secs Computing kpt #: 269 total cpu time spent up to now is 64.7 secs Computing kpt #: 270 total cpu time spent up to now is 65.0 secs Computing kpt #: 271 total cpu time spent up to now is 65.2 secs Computing kpt #: 272 total cpu time spent up to now is 65.5 secs Computing kpt #: 273 total cpu time spent up to now is 65.7 secs Computing kpt #: 274 total cpu time spent up to now is 66.0 secs Computing kpt #: 275 total cpu time spent up to now is 66.2 secs Computing kpt #: 276 total cpu time spent up to now is 66.5 secs Computing kpt #: 277 total cpu time spent up to now is 66.7 secs Computing kpt #: 278 total cpu time spent up to now is 67.0 secs Computing kpt #: 279 total cpu time spent up to now is 67.3 secs Computing kpt #: 280 total cpu time spent up to now is 67.5 secs Computing kpt #: 281 total cpu time spent up to now is 67.9 secs Computing kpt #: 282 total cpu time spent up to now is 68.2 secs Computing kpt #: 283 total cpu time spent up to now is 68.5 secs Computing kpt #: 284 total cpu time spent up to now is 68.8 secs Computing kpt #: 285 total cpu time spent up to now is 69.1 secs Computing kpt #: 286 total cpu time spent up to now is 69.4 secs Computing kpt #: 287 total cpu time spent up to now is 69.8 secs Computing kpt #: 288 total cpu time spent up to now is 70.2 secs Computing kpt #: 289 total cpu time spent up to now is 70.5 secs Computing kpt #: 290 total cpu time spent up to now is 70.8 secs Computing kpt #: 291 total cpu time spent up to now is 71.0 secs Computing kpt #: 292 total cpu time spent up to now is 71.4 secs Computing kpt #: 293 total cpu time spent up to now is 71.6 secs Computing kpt #: 294 total cpu time spent up to now is 71.9 secs Computing kpt #: 295 total cpu time spent up to now is 72.1 secs Computing kpt #: 296 total cpu time spent up to now is 72.4 secs Computing kpt #: 297 total cpu time spent up to now is 72.6 secs Computing kpt #: 298 total cpu time spent up to now is 72.9 secs Computing kpt #: 299 total cpu time spent up to now is 73.1 secs Computing kpt #: 300 total cpu time spent up to now is 73.4 secs Computing kpt #: 301 total cpu time spent up to now is 73.6 secs Computing kpt #: 302 total cpu time spent up to now is 73.9 secs Computing kpt #: 303 total cpu time spent up to now is 74.2 secs Computing kpt #: 304 total cpu time spent up to now is 74.5 secs Computing kpt #: 305 total cpu time spent up to now is 74.8 secs Computing kpt #: 306 total cpu time spent up to now is 75.1 secs Computing kpt #: 307 total cpu time spent up to now is 75.4 secs Computing kpt #: 308 total cpu time spent up to now is 75.7 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 76.3 secs Computing kpt #: 311 total cpu time spent up to now is 76.6 secs Computing kpt #: 312 total cpu time spent up to now is 76.9 secs Computing kpt #: 313 total cpu time spent up to now is 77.2 secs Computing kpt #: 314 total cpu time spent up to now is 77.5 secs Computing kpt #: 315 total cpu time spent up to now is 77.8 secs Computing kpt #: 316 total cpu time spent up to now is 78.1 secs Computing kpt #: 317 total cpu time spent up to now is 78.4 secs Computing kpt #: 318 total cpu time spent up to now is 78.7 secs Computing kpt #: 319 total cpu time spent up to now is 78.9 secs Computing kpt #: 320 total cpu time spent up to now is 79.2 secs Computing kpt #: 321 total cpu time spent up to now is 79.4 secs Computing kpt #: 322 total cpu time spent up to now is 79.7 secs Computing kpt #: 323 total cpu time spent up to now is 80.0 secs Computing kpt #: 324 total cpu time spent up to now is 80.2 secs Computing kpt #: 325 total cpu time spent up to now is 80.5 secs Computing kpt #: 326 total cpu time spent up to now is 80.7 secs Computing kpt #: 327 total cpu time spent up to now is 80.9 secs Computing kpt #: 328 total cpu time spent up to now is 81.1 secs Computing kpt #: 329 total cpu time spent up to now is 81.4 secs Computing kpt #: 330 total cpu time spent up to now is 81.6 secs Computing kpt #: 331 total cpu time spent up to now is 81.8 secs Computing kpt #: 332 total cpu time spent up to now is 82.0 secs Computing kpt #: 333 total cpu time spent up to now is 82.2 secs Computing kpt #: 334 total cpu time spent up to now is 82.4 secs Computing kpt #: 335 total cpu time spent up to now is 82.7 secs Computing kpt #: 336 total cpu time spent up to now is 82.9 secs Computing kpt #: 337 total cpu time spent up to now is 83.1 secs Computing kpt #: 338 total cpu time spent up to now is 83.3 secs Computing kpt #: 339 total cpu time spent up to now is 83.5 secs Computing kpt #: 340 total cpu time spent up to now is 83.7 secs Computing kpt #: 341 total cpu time spent up to now is 83.9 secs Computing kpt #: 342 total cpu time spent up to now is 84.1 secs Computing kpt #: 343 total cpu time spent up to now is 84.3 secs Computing kpt #: 344 total cpu time spent up to now is 84.6 secs Computing kpt #: 345 total cpu time spent up to now is 84.8 secs Computing kpt #: 346 total cpu time spent up to now is 85.0 secs Computing kpt #: 347 total cpu time spent up to now is 85.3 secs Computing kpt #: 348 total cpu time spent up to now is 85.5 secs Computing kpt #: 349 total cpu time spent up to now is 85.8 secs Computing kpt #: 350 total cpu time spent up to now is 86.0 secs Computing kpt #: 351 total cpu time spent up to now is 86.2 secs Computing kpt #: 352 total cpu time spent up to now is 86.5 secs Computing kpt #: 353 total cpu time spent up to now is 86.7 secs Computing kpt #: 354 total cpu time spent up to now is 86.9 secs Computing kpt #: 355 total cpu time spent up to now is 87.1 secs Computing kpt #: 356 total cpu time spent up to now is 87.3 secs Computing kpt #: 357 total cpu time spent up to now is 87.5 secs Computing kpt #: 358 total cpu time spent up to now is 87.7 secs Computing kpt #: 359 total cpu time spent up to now is 87.9 secs Computing kpt #: 360 total cpu time spent up to now is 88.1 secs Computing kpt #: 361 total cpu time spent up to now is 88.3 secs Computing kpt #: 362 total cpu time spent up to now is 88.5 secs Computing kpt #: 363 total cpu time spent up to now is 88.7 secs Computing kpt #: 364 total cpu time spent up to now is 88.9 secs Computing kpt #: 365 total cpu time spent up to now is 89.1 secs Computing kpt #: 366 total cpu time spent up to now is 89.3 secs Computing kpt #: 367 total cpu time spent up to now is 89.5 secs Computing kpt #: 368 total cpu time spent up to now is 89.7 secs Computing kpt #: 369 total cpu time spent up to now is 89.9 secs Computing kpt #: 370 total cpu time spent up to now is 90.1 secs Computing kpt #: 371 total cpu time spent up to now is 90.3 secs Computing kpt #: 372 total cpu time spent up to now is 90.5 secs Computing kpt #: 373 total cpu time spent up to now is 90.7 secs Computing kpt #: 374 total cpu time spent up to now is 90.9 secs Computing kpt #: 375 total cpu time spent up to now is 91.1 secs Computing kpt #: 376 total cpu time spent up to now is 91.3 secs Computing kpt #: 377 total cpu time spent up to now is 91.6 secs Computing kpt #: 378 total cpu time spent up to now is 91.8 secs Computing kpt #: 379 total cpu time spent up to now is 92.0 secs Computing kpt #: 380 total cpu time spent up to now is 92.3 secs Computing kpt #: 381 total cpu time spent up to now is 92.5 secs Computing kpt #: 382 total cpu time spent up to now is 92.7 secs Computing kpt #: 383 total cpu time spent up to now is 93.0 secs Computing kpt #: 384 total cpu time spent up to now is 93.2 secs Computing kpt #: 385 total cpu time spent up to now is 93.5 secs Computing kpt #: 386 total cpu time spent up to now is 93.7 secs Computing kpt #: 387 total cpu time spent up to now is 94.0 secs Computing kpt #: 388 total cpu time spent up to now is 94.2 secs Computing kpt #: 389 total cpu time spent up to now is 94.5 secs Computing kpt #: 390 total cpu time spent up to now is 94.7 secs Computing kpt #: 391 total cpu time spent up to now is 94.9 secs Computing kpt #: 392 total cpu time spent up to now is 95.2 secs Computing kpt #: 393 total cpu time spent up to now is 95.4 secs Computing kpt #: 394 total cpu time spent up to now is 95.7 secs Computing kpt #: 395 total cpu time spent up to now is 95.9 secs Computing kpt #: 396 total cpu time spent up to now is 96.1 secs Computing kpt #: 397 total cpu time spent up to now is 96.3 secs Computing kpt #: 398 total cpu time spent up to now is 96.5 secs Computing kpt #: 399 total cpu time spent up to now is 96.7 secs Computing kpt #: 400 total cpu time spent up to now is 97.0 secs Computing kpt #: 401 total cpu time spent up to now is 97.2 secs Computing kpt #: 402 total cpu time spent up to now is 97.4 secs Computing kpt #: 403 total cpu time spent up to now is 97.6 secs Computing kpt #: 404 total cpu time spent up to now is 97.8 secs Computing kpt #: 405 total cpu time spent up to now is 98.0 secs Computing kpt #: 406 total cpu time spent up to now is 98.3 secs ethr = 3.57E-08, avg # of iterations = 22.2 total cpu time spent up to now is 98.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3941 PWs) bands (ev): -15.9363 -15.9363 -15.7042 -15.7042 -11.7985 -11.7985 -11.1332 -11.1332 -4.6209 -4.6209 -3.6103 -3.6103 -1.7609 -1.7609 -1.7145 -1.7145 -1.3018 -1.3018 -1.2871 -1.2871 0.1754 0.1754 0.5664 0.5664 0.8158 0.8158 0.9185 0.9185 3.4893 3.4893 4.1781 4.1781 7.9223 7.9223 8.2413 8.2413 k = 0.0069 0.0096-0.0000 ( 3937 PWs) bands (ev): -15.9360 -15.9360 -15.7041 -15.7041 -11.7983 -11.7983 -11.1335 -11.1335 -4.6209 -4.6209 -3.6107 -3.6107 -1.7620 -1.7620 -1.7162 -1.7162 -1.3028 -1.3028 -1.2877 -1.2877 0.1769 0.1769 0.5673 0.5673 0.8153 0.8153 0.9184 0.9184 3.4891 3.4891 4.1779 4.1779 7.9248 7.9248 8.2427 8.2427 k = 0.0137 0.0192-0.0000 ( 3933 PWs) bands (ev): -15.9352 -15.9352 -15.7038 -15.7038 -11.7976 -11.7976 -11.1345 -11.1345 -4.6208 -4.6208 -3.6120 -3.6120 -1.7652 -1.7652 -1.7214 -1.7214 -1.3058 -1.3058 -1.2895 -1.2895 0.1815 0.1815 0.5696 0.5696 0.8138 0.8138 0.9183 0.9183 3.4885 3.4885 4.1771 4.1771 7.9320 7.9320 8.2469 8.2469 k = 0.0206 0.0288-0.0000 ( 3933 PWs) bands (ev): -15.9338 -15.9338 -15.7033 -15.7033 -11.7965 -11.7965 -11.1361 -11.1361 -4.6207 -4.6207 -3.6141 -3.6141 -1.7705 -1.7705 -1.7298 -1.7298 -1.3108 -1.3108 -1.2925 -1.2925 0.1890 0.1890 0.5735 0.5735 0.8114 0.8114 0.9181 0.9181 3.4877 3.4877 4.1760 4.1760 7.9441 7.9441 8.2540 8.2540 k = 0.0275 0.0384-0.0000 ( 3933 PWs) bands (ev): -15.9319 -15.9319 -15.7025 -15.7025 -11.7950 -11.7950 -11.1383 -11.1383 -4.6206 -4.6206 -3.6170 -3.6170 -1.7778 -1.7778 -1.7414 -1.7414 -1.3178 -1.3178 -1.2967 -1.2967 0.1992 0.1992 0.5787 0.5787 0.8081 0.8081 0.9179 0.9179 3.4866 3.4866 4.1743 4.1743 7.9609 7.9609 8.2642 8.2642 k = 0.0344 0.0480-0.0000 ( 3935 PWs) bands (ev): -15.9295 -15.9295 -15.7016 -15.7016 -11.7930 -11.7930 -11.1412 -11.1412 -4.6203 -4.6203 -3.6208 -3.6208 -1.7871 -1.7871 -1.7558 -1.7558 -1.3268 -1.3268 -1.3021 -1.3021 0.2120 0.2120 0.5851 0.5851 0.8038 0.8038 0.9176 0.9176 3.4855 3.4855 4.1723 4.1723 7.9823 7.9823 8.2775 8.2775 k = 0.0412 0.0576-0.0000 ( 3935 PWs) bands (ev): -15.9265 -15.9265 -15.7004 -15.7004 -11.7906 -11.7906 -11.1446 -11.1446 -4.6200 -4.6200 -3.6255 -3.6255 -1.7982 -1.7982 -1.7727 -1.7727 -1.3378 -1.3378 -1.3087 -1.3087 0.2269 0.2269 0.5923 0.5923 0.7987 0.7987 0.9172 0.9172 3.4845 3.4845 4.1699 4.1699 8.0082 8.0082 8.2942 8.2942 k = 0.0481 0.0672-0.0000 ( 3935 PWs) bands (ev): -15.9231 -15.9231 -15.6991 -15.6991 -11.7878 -11.7878 -11.1487 -11.1487 -4.6196 -4.6196 -3.6311 -3.6311 -1.8112 -1.8112 -1.7916 -1.7916 -1.3506 -1.3506 -1.3164 -1.3164 0.2438 0.2438 0.6002 0.6002 0.7926 0.7926 0.9168 0.9168 3.4838 3.4838 4.1671 4.1671 8.0383 8.0383 8.3143 8.3143 k = 0.0550 0.0768-0.0000 ( 3931 PWs) bands (ev): -15.9191 -15.9191 -15.6975 -15.6975 -11.7845 -11.7845 -11.1533 -11.1533 -4.6191 -4.6191 -3.6375 -3.6375 -1.8265 -1.8265 -1.8114 -1.8114 -1.3653 -1.3653 -1.3253 -1.3253 0.2622 0.2622 0.6084 0.6084 0.7856 0.7856 0.9163 0.9163 3.4836 3.4836 4.1641 4.1641 8.0726 8.0726 8.3382 8.3382 k = 0.0618 0.0865-0.0000 ( 3927 PWs) bands (ev): -15.9146 -15.9146 -15.6958 -15.6958 -11.7808 -11.7808 -11.1585 -11.1585 -4.6185 -4.6185 -3.6449 -3.6449 -1.8450 -1.8450 -1.8308 -1.8308 -1.3818 -1.3818 -1.3353 -1.3353 0.2819 0.2819 0.6166 0.6166 0.7779 0.7779 0.9158 0.9158 3.4841 3.4841 4.1609 4.1609 8.1109 8.1109 8.3659 8.3659 k = 0.0687 0.0961-0.0000 ( 3929 PWs) bands (ev): -15.9096 -15.9096 -15.6939 -15.6939 -11.7767 -11.7767 -11.1643 -11.1643 -4.6177 -4.6177 -3.6532 -3.6532 -1.8671 -1.8671 -1.8489 -1.8489 -1.4002 -1.4002 -1.3465 -1.3465 0.3024 0.3024 0.6244 0.6244 0.7693 0.7693 0.9153 0.9153 3.4856 3.4856 4.1575 4.1575 8.1529 8.1529 8.3977 8.3977 k = 0.0756 0.1057-0.0000 ( 3935 PWs) bands (ev): -15.9042 -15.9042 -15.6919 -15.6919 -11.7721 -11.7721 -11.1705 -11.1705 -4.6167 -4.6167 -3.6624 -3.6624 -1.8915 -1.8915 -1.8664 -1.8664 -1.4202 -1.4202 -1.3588 -1.3588 0.3235 0.3235 0.6316 0.6316 0.7600 0.7600 0.9147 0.9147 3.4882 3.4882 4.1539 4.1539 8.1984 8.1984 8.4336 8.4336 k = 0.0824 0.1153-0.0000 ( 3935 PWs) bands (ev): -15.8983 -15.8983 -15.6897 -15.6897 -11.7672 -11.7672 -11.1773 -11.1773 -4.6156 -4.6156 -3.6725 -3.6725 -1.9170 -1.9170 -1.8840 -1.8840 -1.4420 -1.4420 -1.3721 -1.3721 0.3449 0.3449 0.6379 0.6379 0.7500 0.7500 0.9140 0.9140 3.4922 3.4922 4.1504 4.1504 8.2472 8.2472 8.4739 8.4739 k = 0.0893 0.1249-0.0000 ( 3939 PWs) bands (ev): -15.8920 -15.8920 -15.6874 -15.6874 -11.7618 -11.7618 -11.1845 -11.1845 -4.6142 -4.6142 -3.6836 -3.6836 -1.9430 -1.9430 -1.9017 -1.9017 -1.4653 -1.4653 -1.3866 -1.3866 0.3663 0.3663 0.6428 0.6428 0.7393 0.7393 0.9134 0.9134 3.4977 3.4977 4.1468 4.1468 8.2992 8.2992 8.5185 8.5185 k = 0.0962 0.1345-0.0000 ( 3935 PWs) bands (ev): -15.8853 -15.8853 -15.6850 -15.6850 -11.7560 -11.7560 -11.1921 -11.1921 -4.6125 -4.6125 -3.6956 -3.6956 -1.9691 -1.9691 -1.9195 -1.9195 -1.4903 -1.4903 -1.4020 -1.4020 0.3873 0.3873 0.6463 0.6463 0.7282 0.7282 0.9127 0.9127 3.5048 3.5048 4.1432 4.1432 8.3541 8.3541 8.5676 8.5676 k = 0.1031 0.1441-0.0000 ( 3935 PWs) bands (ev): -15.8782 -15.8782 -15.6825 -15.6825 -11.7499 -11.7499 -11.2002 -11.2002 -4.6106 -4.6106 -3.7086 -3.7086 -1.9951 -1.9951 -1.9374 -1.9374 -1.5167 -1.5167 -1.4186 -1.4186 0.4079 0.4079 0.6479 0.6479 0.7168 0.7168 0.9119 0.9119 3.5136 3.5136 4.1396 4.1396 8.4117 8.4117 8.6211 8.6211 k = 0.1099 0.1537-0.0000 ( 3937 PWs) bands (ev): -15.8707 -15.8707 -15.6799 -15.6799 -11.7433 -11.7433 -11.2087 -11.2087 -4.6083 -4.6083 -3.7225 -3.7225 -2.0205 -2.0205 -1.9552 -1.9552 -1.5446 -1.5446 -1.4361 -1.4361 0.4277 0.4277 0.6473 0.6473 0.7052 0.7052 0.9111 0.9111 3.5242 3.5242 4.1362 4.1362 8.4718 8.4718 8.6792 8.6792 k = 0.1168 0.1633-0.0000 ( 3933 PWs) bands (ev): -15.8628 -15.8628 -15.6772 -15.6772 -11.7363 -11.7363 -11.2175 -11.2175 -4.6056 -4.6056 -3.7373 -3.7373 -2.0453 -2.0453 -1.9728 -1.9728 -1.5738 -1.5738 -1.4546 -1.4546 0.4466 0.4466 0.6443 0.6443 0.6938 0.6938 0.9103 0.9103 3.5365 3.5365 4.1328 4.1328 8.5343 8.5343 8.7418 8.7418 k = 0.1237 0.1729-0.0000 ( 3925 PWs) bands (ev): -15.8546 -15.8546 -15.6745 -15.6745 -11.7289 -11.7289 -11.2266 -11.2266 -4.6025 -4.6025 -3.7530 -3.7530 -2.0692 -2.0692 -1.9902 -1.9902 -1.6043 -1.6043 -1.4740 -1.4740 0.4644 0.4644 0.6386 0.6386 0.6828 0.6828 0.9095 0.9095 3.5505 3.5505 4.1294 4.1294 8.5990 8.5990 8.8088 8.8088 k = 0.1305 0.1825-0.0000 ( 3921 PWs) bands (ev): -15.8461 -15.8461 -15.6717 -15.6717 -11.7212 -11.7212 -11.2360 -11.2360 -4.5989 -4.5989 -3.7696 -3.7696 -2.0920 -2.0920 -2.0073 -2.0073 -1.6360 -1.6360 -1.4943 -1.4943 0.4809 0.4809 0.6302 0.6302 0.6724 0.6724 0.9086 0.9086 3.5661 3.5661 4.1261 4.1261 8.6657 8.6657 8.8802 8.8802 k = 0.1374 0.1921-0.0000 ( 3925 PWs) bands (ev): -15.8373 -15.8373 -15.6689 -15.6689 -11.7131 -11.7131 -11.2456 -11.2456 -4.5948 -4.5948 -3.7869 -3.7869 -2.1136 -2.1136 -2.0239 -2.0239 -1.6688 -1.6688 -1.5155 -1.5155 0.4959 0.4959 0.6196 0.6196 0.6623 0.6623 0.9078 0.9078 3.5832 3.5832 4.1228 4.1228 8.7343 8.7343 8.9559 8.9559 k = 0.1443 0.2017-0.0000 ( 3925 PWs) bands (ev): -15.8283 -15.8283 -15.6662 -15.6662 -11.7046 -11.7046 -11.2555 -11.2555 -4.5902 -4.5902 -3.8051 -3.8051 -2.1340 -2.1340 -2.0402 -2.0402 -1.7027 -1.7027 -1.5375 -1.5375 0.5089 0.5089 0.6074 0.6074 0.6523 0.6523 0.9069 0.9069 3.6016 3.6016 4.1194 4.1194 8.8047 8.8047 9.0358 9.0358 k = 0.1512 0.2113-0.0000 ( 3935 PWs) bands (ev): -15.8191 -15.8191 -15.6634 -15.6634 -11.6957 -11.6957 -11.2656 -11.2656 -4.5850 -4.5850 -3.8239 -3.8239 -2.1530 -2.1530 -2.0560 -2.0560 -1.7375 -1.7375 -1.5603 -1.5603 0.5192 0.5192 0.5950 0.5950 0.6421 0.6421 0.9060 0.9060 3.6210 3.6210 4.1160 4.1160 8.8766 8.8766 9.1197 9.1197 k = 0.1580 0.2209-0.0000 ( 3935 PWs) bands (ev): -15.8096 -15.8096 -15.6607 -15.6607 -11.6865 -11.6865 -11.2758 -11.2758 -4.5791 -4.5791 -3.8434 -3.8434 -2.1705 -2.1705 -2.0713 -2.0713 -1.7732 -1.7732 -1.5839 -1.5839 0.5251 0.5251 0.5840 0.5840 0.6317 0.6317 0.9052 0.9052 3.6413 3.6413 4.1124 4.1124 8.9501 8.9501 9.2074 9.2074 k = 0.1649 0.2305-0.0000 ( 3939 PWs) bands (ev): -15.7999 -15.7999 -15.6580 -15.6580 -11.6769 -11.6769 -11.2861 -11.2861 -4.5725 -4.5725 -3.8634 -3.8634 -2.1866 -2.1866 -2.0861 -2.0861 -1.8096 -1.8096 -1.6081 -1.6081 0.5242 0.5242 0.5766 0.5766 0.6216 0.6216 0.9044 0.9044 3.6622 3.6622 4.1085 4.1085 9.0248 9.0248 9.2989 9.2989 k = 0.1718 0.2402-0.0000 ( 3927 PWs) bands (ev): -15.7902 -15.7902 -15.6554 -15.6554 -11.6670 -11.6670 -11.2965 -11.2965 -4.5652 -4.5652 -3.8838 -3.8838 -2.2013 -2.2013 -2.1004 -2.1004 -1.8467 -1.8467 -1.6330 -1.6330 0.5154 0.5154 0.5725 0.5725 0.6134 0.6134 0.9037 0.9037 3.6835 3.6835 4.1043 4.1043 9.1009 9.1009 9.3937 9.3937 k = 0.1786 0.2498-0.0000 ( 3919 PWs) bands (ev): -15.7802 -15.7802 -15.6529 -15.6529 -11.6567 -11.6567 -11.3069 -11.3069 -4.5571 -4.5571 -3.9047 -3.9047 -2.2144 -2.2144 -2.1143 -2.1143 -1.8844 -1.8844 -1.6585 -1.6585 0.5013 0.5013 0.5673 0.5673 0.6093 0.6093 0.9030 0.9030 3.7049 3.7049 4.0998 4.0998 9.1780 9.1780 9.4919 9.4919 k = 0.1855 0.2594-0.0000 ( 3917 PWs) bands (ev): -15.7702 -15.7702 -15.6505 -15.6505 -11.6461 -11.6461 -11.3174 -11.3174 -4.5482 -4.5482 -3.9258 -3.9258 -2.2262 -2.2262 -2.1278 -2.1278 -1.9225 -1.9225 -1.6845 -1.6845 0.4843 0.4843 0.5580 0.5580 0.6100 0.6100 0.9024 0.9024 3.7262 3.7262 4.0947 4.0947 9.2561 9.2561 9.5929 9.5929 k = 0.1924 0.2690-0.0000 ( 3917 PWs) bands (ev): -15.7602 -15.7602 -15.6481 -15.6481 -11.6351 -11.6351 -11.3278 -11.3278 -4.5384 -4.5384 -3.9471 -3.9471 -2.2366 -2.2366 -2.1409 -2.1409 -1.9610 -1.9610 -1.7110 -1.7110 0.4657 0.4657 0.5454 0.5454 0.6137 0.6137 0.9018 0.9018 3.7471 3.7471 4.0890 4.0890 9.3349 9.3349 9.6966 9.6966 k = 0.1993 0.2786-0.0000 ( 3917 PWs) bands (ev): -15.7500 -15.7500 -15.6459 -15.6459 -11.6239 -11.6239 -11.3382 -11.3382 -4.5278 -4.5278 -3.9685 -3.9685 -2.2456 -2.2456 -2.1536 -2.1536 -1.9996 -1.9996 -1.7379 -1.7379 0.4462 0.4462 0.5310 0.5310 0.6186 0.6186 0.9012 0.9012 3.7674 3.7674 4.0826 4.0826 9.4143 9.4143 9.8026 9.8026 k = 0.2061 0.2882-0.0000 ( 3919 PWs) bands (ev): -15.7399 -15.7399 -15.6439 -15.6439 -11.6123 -11.6123 -11.3486 -11.3486 -4.5163 -4.5163 -3.9899 -3.9899 -2.2535 -2.2535 -2.1661 -2.1661 -2.0382 -2.0382 -1.7653 -1.7653 0.4259 0.4259 0.5157 0.5157 0.6239 0.6239 0.9007 0.9007 3.7868 3.7868 4.0755 4.0755 9.4941 9.4941 9.9105 9.9105 k = 0.2130 0.2978-0.0000 ( 3915 PWs) bands (ev): -15.7298 -15.7298 -15.6420 -15.6420 -11.6005 -11.6005 -11.3588 -11.3588 -4.5038 -4.5038 -4.0112 -4.0112 -2.2604 -2.2604 -2.1785 -2.1785 -2.0765 -2.0765 -1.7929 -1.7929 0.4052 0.4052 0.5000 0.5000 0.6292 0.6292 0.9003 0.9003 3.8052 3.8052 4.0675 4.0675 9.5739 9.5739 9.9593 9.9594 k = 0.2199 0.3074-0.0000 ( 3909 PWs) bands (ev): -15.7197 -15.7197 -15.6402 -15.6402 -11.5883 -11.5883 -11.3689 -11.3689 -4.4905 -4.4905 -4.0323 -4.0323 -2.2665 -2.2665 -2.1910 -2.1910 -2.1139 -2.1139 -1.8208 -1.8208 0.3840 0.3840 0.4840 0.4840 0.6343 0.6343 0.8998 0.8998 3.8225 3.8225 4.0587 4.0587 9.6533 9.6533 9.9457 9.9457 k = 0.2267 0.3170-0.0000 ( 3911 PWs) bands (ev): -15.7097 -15.7097 -15.6387 -15.6387 -11.5759 -11.5759 -11.3789 -11.3789 -4.4762 -4.4762 -4.0531 -4.0531 -2.2724 -2.2724 -2.2043 -2.2043 -2.1492 -2.1492 -1.8489 -1.8489 0.3626 0.3626 0.4680 0.4680 0.6392 0.6392 0.8994 0.8994 3.8384 3.8384 4.0488 4.0488 9.7319 9.7319 9.9344 9.9344 k = 0.2336 0.3266-0.0000 ( 3917 PWs) bands (ev): -15.6998 -15.6998 -15.6373 -15.6373 -11.5632 -11.5632 -11.3887 -11.3887 -4.4609 -4.4609 -4.0736 -4.0736 -2.2795 -2.2795 -2.2196 -2.2196 -2.1800 -2.1800 -1.8772 -1.8772 0.3408 0.3408 0.4521 0.4521 0.6439 0.6439 0.8991 0.8991 3.8529 3.8529 4.0379 4.0379 9.8089 9.8089 9.9255 9.9255 k = 0.2405 0.3362-0.0000 ( 3917 PWs) bands (ev): -15.6900 -15.6900 -15.6360 -15.6360 -11.5502 -11.5502 -11.3983 -11.3983 -4.4448 -4.4448 -4.0936 -4.0936 -2.2911 -2.2911 -2.2369 -2.2369 -2.2028 -2.2028 -1.9055 -1.9055 0.3189 0.3189 0.4365 0.4365 0.6485 0.6485 0.8987 0.8987 3.8659 3.8659 4.0260 4.0260 9.8834 9.8834 9.9189 9.9189 k = 0.2473 0.3458-0.0000 ( 3917 PWs) bands (ev): -15.6803 -15.6803 -15.6350 -15.6350 -11.5370 -11.5370 -11.4077 -11.4077 -4.4277 -4.4277 -4.1130 -4.1130 -2.3123 -2.3123 -2.2503 -2.2503 -2.2185 -2.2185 -1.9338 -1.9338 0.2968 0.2968 0.4211 0.4211 0.6529 0.6529 0.8984 0.8984 3.8773 3.8773 4.0130 4.0130 9.9143 9.9143 9.9542 9.9542 k = 0.2542 0.3554-0.0000 ( 3915 PWs) bands (ev): -15.6708 -15.6708 -15.6342 -15.6342 -11.5236 -11.5236 -11.4168 -11.4168 -4.4098 -4.4098 -4.1319 -4.1319 -2.3425 -2.3425 -2.2568 -2.2568 -2.2305 -2.2305 -1.9621 -1.9621 0.2747 0.2747 0.4062 0.4062 0.6572 0.6572 0.8980 0.8980 3.8870 3.8870 3.9989 3.9989 9.9120 9.9120 10.0192 10.0192 k = 0.2611 0.3650-0.0000 ( 3919 PWs) bands (ev): -15.6615 -15.6615 -15.6335 -15.6335 -11.5099 -11.5099 -11.4258 -11.4258 -4.3909 -4.3909 -4.1501 -4.1501 -2.3771 -2.3771 -2.2594 -2.2594 -2.2406 -2.2406 -1.9902 -1.9902 0.2525 0.2525 0.3916 0.3916 0.6614 0.6614 0.8977 0.8977 3.8952 3.8952 3.9838 3.9838 9.9117 9.9117 10.0758 10.0758 k = 0.2680 0.3746-0.0000 ( 3915 PWs) bands (ev): -15.6523 -15.6523 -15.6330 -15.6330 -11.4961 -11.4961 -11.4344 -11.4344 -4.3713 -4.3713 -4.1676 -4.1676 -2.4134 -2.4134 -2.2610 -2.2610 -2.2485 -2.2485 -2.0182 -2.0182 0.2303 0.2303 0.3773 0.3773 0.6654 0.6654 0.8973 0.8973 3.9018 3.9018 3.9677 3.9677 9.9132 9.9132 10.1207 10.1207 k = 0.2748 0.3842-0.0000 ( 3911 PWs) bands (ev): -15.6434 -15.6434 -15.6328 -15.6328 -11.4821 -11.4821 -11.4428 -11.4428 -4.3509 -4.3509 -4.1843 -4.1843 -2.4502 -2.4502 -2.2652 -2.2652 -2.2518 -2.2518 -2.0458 -2.0458 0.2081 0.2081 0.3635 0.3635 0.6694 0.6694 0.8970 0.8970 3.9068 3.9068 3.9506 3.9506 9.9163 9.9163 10.1497 10.1497 k = 0.2817 0.3939-0.0000 ( 3901 PWs) bands (ev): -15.6347 -15.6347 -15.6327 -15.6327 -11.4680 -11.4680 -11.4510 -11.4510 -4.3298 -4.3298 -4.2003 -4.2003 -2.4870 -2.4870 -2.2722 -2.2722 -2.2507 -2.2507 -2.0731 -2.0731 0.1861 0.1861 0.3500 0.3500 0.6732 0.6732 0.8966 0.8966 3.9102 3.9102 3.9327 3.9327 9.9210 9.9210 10.1598 10.1598 k = 0.2886 0.4035-0.0000 ( 3897 PWs) bands (ev): -15.6328 -15.6328 -15.6262 -15.6262 -11.4588 -11.4588 -11.4538 -11.4538 -4.3081 -4.3081 -4.2154 -4.2154 -2.5236 -2.5236 -2.2798 -2.2798 -2.2476 -2.2476 -2.0999 -2.0999 0.1642 0.1642 0.3368 0.3368 0.6769 0.6769 0.8962 0.8962 3.9112 3.9112 3.9152 3.9152 9.9270 9.9270 10.1497 10.1497 k = 0.2954 0.4131-0.0000 ( 3893 PWs) bands (ev): -15.6331 -15.6331 -15.6180 -15.6180 -11.4664 -11.4664 -11.4394 -11.4394 -4.2858 -4.2858 -4.2297 -4.2297 -2.5597 -2.5597 -2.2873 -2.2873 -2.2437 -2.2437 -2.1261 -2.1261 0.1424 0.1424 0.3239 0.3239 0.6804 0.6804 0.8958 0.8958 3.8942 3.8942 3.9136 3.9136 9.9342 9.9342 10.1216 10.1216 k = 0.3023 0.4227-0.0000 ( 3905 PWs) bands (ev): -15.6335 -15.6335 -15.6101 -15.6101 -11.4736 -11.4736 -11.4250 -11.4250 -4.2630 -4.2630 -4.2431 -4.2431 -2.5953 -2.5953 -2.2945 -2.2945 -2.2393 -2.2393 -2.1513 -2.1513 0.1209 0.1209 0.3111 0.3111 0.6836 0.6836 0.8954 0.8954 3.8744 3.8744 3.9132 3.9132 9.9424 9.9424 10.0794 10.0794 k = 0.3092 0.4323-0.0000 ( 3905 PWs) bands (ev): -15.6342 -15.6342 -15.6024 -15.6024 -11.4806 -11.4806 -11.4106 -11.4106 -4.2558 -4.2558 -4.2398 -4.2398 -2.6303 -2.6303 -2.3014 -2.3014 -2.2351 -2.2351 -2.1749 -2.1749 0.0997 0.0997 0.2984 0.2984 0.6865 0.6865 0.8949 0.8949 3.8541 3.8541 3.9117 3.9117 9.9512 9.9512 10.0272 10.0272 k = 0.3161 0.4419-0.0000 ( 3905 PWs) bands (ev): -15.6349 -15.6349 -15.5950 -15.5950 -11.4873 -11.4873 -11.3962 -11.3962 -4.2675 -4.2675 -4.2164 -4.2164 -2.6645 -2.6645 -2.3081 -2.3081 -2.2330 -2.2330 -2.1947 -2.1947 0.0788 0.0788 0.2857 0.2857 0.6891 0.6891 0.8944 0.8944 3.8335 3.8335 3.9094 3.9094 9.9593 9.9593 9.9695 9.9695 k = 0.3229 0.4515-0.0000 ( 3901 PWs) bands (ev): -15.6358 -15.6358 -15.5879 -15.5879 -11.4937 -11.4937 -11.3818 -11.3818 -4.2783 -4.2783 -4.1927 -4.1927 -2.6979 -2.6979 -2.3147 -2.3147 -2.2391 -2.2391 -2.2045 -2.2045 0.0582 0.0582 0.2729 0.2729 0.6912 0.6912 0.8939 0.8939 3.8129 3.8129 3.9064 3.9064 9.9050 9.9050 9.9707 9.9707 k = 0.3298 0.4611-0.0000 ( 3905 PWs) bands (ev): -15.6369 -15.6369 -15.5812 -15.5812 -11.4998 -11.4998 -11.3675 -11.3675 -4.2883 -4.2883 -4.1690 -4.1690 -2.7305 -2.7305 -2.3219 -2.3219 -2.2541 -2.2541 -2.2029 -2.2029 0.0381 0.0381 0.2600 0.2600 0.6928 0.6928 0.8933 0.8933 3.7923 3.7923 3.9026 3.9026 9.8401 9.8401 9.9804 9.9804 k = 0.3367 0.4707-0.0000 ( 3909 PWs) bands (ev): -15.6381 -15.6381 -15.5747 -15.5747 -11.5055 -11.5055 -11.3533 -11.3533 -4.2975 -4.2975 -4.1454 -4.1454 -2.7621 -2.7621 -2.3305 -2.3305 -2.2700 -2.2700 -2.1969 -2.1969 0.0183 0.0183 0.2468 0.2468 0.6939 0.6939 0.8927 0.8927 3.7721 3.7721 3.8984 3.8984 9.7745 9.7745 9.9900 9.9900 k = 0.3435 0.4803-0.0000 ( 3909 PWs) bands (ev): -15.6393 -15.6393 -15.5685 -15.5685 -11.5110 -11.5110 -11.3392 -11.3392 -4.3059 -4.3059 -4.1219 -4.1219 -2.7928 -2.7928 -2.3417 -2.3417 -2.2828 -2.2828 -2.1894 -2.1894 -0.0009 -0.0009 0.2333 0.2333 0.6942 0.6942 0.8921 0.8921 3.7523 3.7523 3.8939 3.8939 9.7094 9.7094 9.9993 9.9993 k = 0.3504 0.4899-0.0000 ( 3911 PWs) bands (ev): -15.6407 -15.6407 -15.5626 -15.5626 -11.5162 -11.5162 -11.3253 -11.3253 -4.3135 -4.3135 -4.0986 -4.0986 -2.8225 -2.8225 -2.3559 -2.3559 -2.2912 -2.2912 -2.1810 -2.1810 -0.0197 -0.0197 0.2195 0.2195 0.6939 0.6939 0.8915 0.8915 3.7331 3.7331 3.8892 3.8892 9.6457 9.6457 10.0080 10.0080 k = 0.3573 0.4995-0.0000 ( 3905 PWs) bands (ev): -15.6422 -15.6422 -15.5570 -15.5570 -11.5212 -11.5212 -11.3116 -11.3116 -4.3204 -4.3204 -4.0758 -4.0758 -2.8511 -2.8511 -2.3725 -2.3725 -2.2956 -2.2956 -2.1720 -2.1720 -0.0378 -0.0378 0.2052 0.2052 0.6927 0.6927 0.8908 0.8908 3.7147 3.7147 3.8843 3.8843 9.5840 9.5840 10.0160 10.0160 k = 0.3642 0.5091-0.0000 ( 3903 PWs) bands (ev): -15.6437 -15.6437 -15.5518 -15.5518 -11.5258 -11.5258 -11.2982 -11.2982 -4.3265 -4.3265 -4.0536 -4.0536 -2.8786 -2.8786 -2.3903 -2.3903 -2.2971 -2.2971 -2.1626 -2.1626 -0.0554 -0.0554 0.1904 0.1904 0.6908 0.6908 0.8900 0.8900 3.6973 3.6973 3.8795 3.8795 9.5250 9.5250 10.0232 10.0232 k = 0.3710 0.5187-0.0000 ( 3911 PWs) bands (ev): -15.6452 -15.6452 -15.5468 -15.5468 -11.5302 -11.5302 -11.2851 -11.2851 -4.3320 -4.3320 -4.0319 -4.0319 -2.9050 -2.9050 -2.4085 -2.4085 -2.2963 -2.2963 -2.1529 -2.1529 -0.0724 -0.0724 0.1752 0.1752 0.6879 0.6879 0.8893 0.8893 3.6809 3.6809 3.8748 3.8748 9.4692 9.4692 10.0294 10.0294 k = 0.3779 0.5283-0.0000 ( 3911 PWs) bands (ev): -15.6468 -15.6468 -15.5422 -15.5422 -11.5343 -11.5343 -11.2724 -11.2724 -4.3368 -4.3368 -4.0110 -4.0110 -2.9302 -2.9302 -2.4265 -2.4265 -2.2937 -2.2937 -2.1429 -2.1429 -0.0887 -0.0887 0.1595 0.1595 0.6842 0.6842 0.8886 0.8886 3.6657 3.6657 3.8704 3.8704 9.4169 9.4169 10.0345 10.0345 k = 0.3779 0.5283-0.0000 ( 3911 PWs) bands (ev): -15.6468 -15.6468 -15.5422 -15.5422 -11.5343 -11.5343 -11.2724 -11.2724 -4.3368 -4.3368 -4.0110 -4.0110 -2.9302 -2.9302 -2.4265 -2.4265 -2.2937 -2.2937 -2.1429 -2.1429 -0.0887 -0.0887 0.1595 0.1595 0.6842 0.6842 0.8886 0.8886 3.6657 3.6657 3.8704 3.8704 9.4169 9.4169 10.0345 10.0345 k = 0.3661 0.5283-0.0000 ( 3910 PWs) bands (ev): -15.6460 -15.6460 -15.5449 -15.5449 -11.5320 -11.5320 -11.2797 -11.2797 -4.3344 -4.3344 -4.0229 -4.0229 -2.9149 -2.9149 -2.4185 -2.4185 -2.2923 -2.2923 -2.1485 -2.1485 -0.0787 -0.0787 0.1688 0.1688 0.6865 0.6865 0.8889 0.8889 3.6744 3.6744 3.8731 3.8731 9.4475 9.4475 10.0307 10.0307 k = 0.3543 0.5283-0.0000 ( 3911 PWs) bands (ev): -15.6455 -15.6455 -15.5479 -15.5479 -11.5300 -11.5300 -11.2871 -11.2871 -4.3323 -4.3323 -4.0348 -4.0348 -2.8979 -2.8979 -2.4159 -2.4159 -2.2835 -2.2835 -2.1533 -2.1533 -0.0674 -0.0674 0.1783 0.1783 0.6886 0.6886 0.8889 0.8889 3.6837 3.6837 3.8762 3.8762 9.4808 9.4808 10.0241 10.0241 k = 0.3425 0.5283-0.0000 ( 3913 PWs) bands (ev): -15.6452 -15.6452 -15.5511 -15.5511 -11.5280 -11.5280 -11.2946 -11.2946 -4.3307 -4.3307 -4.0467 -4.0467 -2.8794 -2.8794 -2.4186 -2.4186 -2.2677 -2.2677 -2.1571 -2.1571 -0.0549 -0.0549 0.1879 0.1879 0.6904 0.6904 0.8887 0.8887 3.6934 3.6934 3.8796 3.8796 9.5167 9.5167 10.0142 10.0142 k = 0.3307 0.5283-0.0000 ( 3914 PWs) bands (ev): -15.6451 -15.6451 -15.5546 -15.5546 -11.5262 -11.5262 -11.3021 -11.3021 -4.3294 -4.3294 -4.0586 -4.0586 -2.8597 -2.8597 -2.4250 -2.4250 -2.2464 -2.2464 -2.1596 -2.1596 -0.0413 -0.0413 0.1976 0.1976 0.6921 0.6921 0.8882 0.8882 3.7035 3.7035 3.8834 3.8834 9.5550 9.5550 10.0002 10.0002 k = 0.3188 0.5283-0.0000 ( 3918 PWs) bands (ev): -15.6452 -15.6452 -15.5582 -15.5582 -11.5245 -11.5245 -11.3096 -11.3096 -4.3285 -4.3285 -4.0704 -4.0704 -2.8389 -2.8389 -2.4337 -2.4337 -2.2215 -2.2215 -2.1606 -2.1606 -0.0267 -0.0267 0.2071 0.2071 0.6936 0.6936 0.8875 0.8875 3.7141 3.7141 3.8875 3.8875 9.5957 9.5957 9.9817 9.9817 k = 0.3070 0.5283-0.0000 ( 3922 PWs) bands (ev): -15.6455 -15.6455 -15.5620 -15.5620 -11.5230 -11.5230 -11.3172 -11.3172 -4.3279 -4.3279 -4.0821 -4.0821 -2.8175 -2.8175 -2.4436 -2.4436 -2.1948 -2.1948 -2.1589 -2.1589 -0.0113 -0.0113 0.2166 0.2166 0.6950 0.6950 0.8864 0.8864 3.7249 3.7249 3.8917 3.8917 9.6387 9.6387 9.9582 9.9582 k = 0.2952 0.5283-0.0000 ( 3922 PWs) bands (ev): -15.6460 -15.6460 -15.5659 -15.5659 -11.5215 -11.5215 -11.3247 -11.3247 -4.3275 -4.3275 -4.0937 -4.0937 -2.7958 -2.7958 -2.4540 -2.4540 -2.1716 -2.1716 -2.1498 -2.1498 0.0047 0.0047 0.2258 0.2258 0.6964 0.6964 0.8849 0.8849 3.7361 3.7361 3.8963 3.8963 9.6838 9.6838 9.9295 9.9295 k = 0.2834 0.5283-0.0000 ( 3919 PWs) bands (ev): -15.6466 -15.6466 -15.5700 -15.5700 -11.5201 -11.5201 -11.3322 -11.3322 -4.3275 -4.3275 -4.1053 -4.1053 -2.7742 -2.7742 -2.4646 -2.4646 -2.1606 -2.1606 -2.1249 -2.1249 0.0213 0.0213 0.2348 0.2348 0.6977 0.6977 0.8832 0.8832 3.7475 3.7475 3.9009 3.9009 9.7309 9.7309 9.8956 9.8956 k = 0.2716 0.5283-0.0000 ( 3921 PWs) bands (ev): -15.6473 -15.6473 -15.5742 -15.5742 -11.5188 -11.5188 -11.3397 -11.3397 -4.3276 -4.3276 -4.1167 -4.1167 -2.7530 -2.7530 -2.4752 -2.4752 -2.1528 -2.1528 -2.0933 -2.0933 0.0382 0.0382 0.2435 0.2435 0.6990 0.6990 0.8811 0.8811 3.7592 3.7592 3.9057 3.9057 9.7799 9.7799 9.8568 9.8568 k = 0.2598 0.5283-0.0000 ( 3921 PWs) bands (ev): -15.6482 -15.6482 -15.5784 -15.5784 -11.5175 -11.5175 -11.3471 -11.3471 -4.3279 -4.3279 -4.1280 -4.1280 -2.7328 -2.7328 -2.4856 -2.4856 -2.1433 -2.1433 -2.0599 -2.0599 0.0553 0.0553 0.2519 0.2519 0.7004 0.7004 0.8787 0.8787 3.7709 3.7709 3.9106 3.9106 9.8127 9.8127 9.8313 9.8313 k = 0.2480 0.5283-0.0000 ( 3915 PWs) bands (ev): -15.6491 -15.6491 -15.5827 -15.5827 -11.5163 -11.5163 -11.3545 -11.3545 -4.3283 -4.3283 -4.1392 -4.1392 -2.7137 -2.7137 -2.4957 -2.4957 -2.1314 -2.1314 -2.0255 -2.0255 0.0724 0.0724 0.2598 0.2598 0.7019 0.7019 0.8759 0.8759 3.7828 3.7828 3.9155 3.9155 9.7658 9.7658 9.8831 9.8831 k = 0.2362 0.5283-0.0000 ( 3919 PWs) bands (ev): -15.6501 -15.6501 -15.5871 -15.5871 -11.5151 -11.5151 -11.3618 -11.3618 -4.3289 -4.3289 -4.1502 -4.1502 -2.6962 -2.6962 -2.5055 -2.5055 -2.1165 -2.1165 -1.9906 -1.9906 0.0894 0.0894 0.2672 0.2672 0.7035 0.7035 0.8728 0.8728 3.7946 3.7946 3.9205 3.9205 9.7153 9.7153 9.9366 9.9366 k = 0.2244 0.5283-0.0000 ( 3923 PWs) bands (ev): -15.6511 -15.6511 -15.5915 -15.5915 -11.5139 -11.5139 -11.3690 -11.3690 -4.3295 -4.3295 -4.1610 -4.1610 -2.6804 -2.6804 -2.5148 -2.5148 -2.0987 -2.0987 -1.9556 -1.9556 0.1061 0.1061 0.2740 0.2740 0.7053 0.7053 0.8694 0.8694 3.8065 3.8065 3.9254 3.9254 9.6624 9.6624 9.9914 9.9914 k = 0.2126 0.5283-0.0000 ( 3921 PWs) bands (ev): -15.6522 -15.6522 -15.5959 -15.5959 -11.5127 -11.5127 -11.3761 -11.3761 -4.3301 -4.3301 -4.1716 -4.1716 -2.6666 -2.6666 -2.5237 -2.5237 -2.0779 -2.0779 -1.9207 -1.9207 0.1224 0.1224 0.2803 0.2803 0.7073 0.7073 0.8656 0.8656 3.8182 3.8182 3.9302 3.9302 9.6079 9.6079 10.0470 10.0470 k = 0.2008 0.5283-0.0000 ( 3927 PWs) bands (ev): -15.6533 -15.6533 -15.6002 -15.6002 -11.5115 -11.5115 -11.3830 -11.3830 -4.3308 -4.3308 -4.1820 -4.1820 -2.6547 -2.6547 -2.5322 -2.5322 -2.0543 -2.0543 -1.8861 -1.8861 0.1381 0.1381 0.2860 0.2860 0.7096 0.7096 0.8615 0.8615 3.8298 3.8298 3.9349 3.9349 9.5528 9.5528 10.1034 10.1034 k = 0.1889 0.5283-0.0000 ( 3923 PWs) bands (ev): -15.6543 -15.6543 -15.6045 -15.6045 -11.5103 -11.5103 -11.3899 -11.3899 -4.3314 -4.3314 -4.1922 -4.1922 -2.6447 -2.6447 -2.5402 -2.5402 -2.0281 -2.0281 -1.8522 -1.8522 0.1532 0.1532 0.2910 0.2910 0.7122 0.7122 0.8572 0.8572 3.8412 3.8412 3.9395 3.9395 9.4980 9.4980 10.1602 10.1602 k = 0.1771 0.5283-0.0000 ( 3927 PWs) bands (ev): -15.6553 -15.6553 -15.6088 -15.6088 -11.5090 -11.5090 -11.3966 -11.3966 -4.3318 -4.3318 -4.2021 -4.2021 -2.6365 -2.6365 -2.5477 -2.5477 -1.9997 -1.9997 -1.8191 -1.8191 0.1675 0.1675 0.2953 0.2953 0.7150 0.7150 0.8526 0.8526 3.8523 3.8523 3.9438 3.9438 9.4442 9.4442 10.1051 10.1051 k = 0.1653 0.5283-0.0000 ( 3929 PWs) bands (ev): -15.6563 -15.6563 -15.6129 -15.6129 -11.5077 -11.5077 -11.4032 -11.4032 -4.3322 -4.3322 -4.2118 -4.2118 -2.6299 -2.6299 -2.5547 -2.5547 -1.9695 -1.9695 -1.7872 -1.7872 0.1809 0.1809 0.2989 0.2989 0.7181 0.7181 0.8477 0.8477 3.8632 3.8632 3.9479 3.9479 9.3922 9.3922 10.0089 10.0089 k = 0.1535 0.5283-0.0000 ( 3929 PWs) bands (ev): -15.6571 -15.6571 -15.6170 -15.6170 -11.5062 -11.5062 -11.4096 -11.4096 -4.3325 -4.3325 -4.2212 -4.2212 -2.6247 -2.6247 -2.5613 -2.5613 -1.9379 -1.9379 -1.7567 -1.7567 0.1935 0.1935 0.3018 0.3018 0.7215 0.7215 0.8427 0.8427 3.8737 3.8737 3.9517 3.9517 9.3428 9.3428 9.9157 9.9157 k = 0.1417 0.5283-0.0000 ( 3927 PWs) bands (ev): -15.6579 -15.6579 -15.6210 -15.6210 -11.5047 -11.5047 -11.4158 -11.4158 -4.3325 -4.3325 -4.2302 -4.2302 -2.6207 -2.6207 -2.5674 -2.5674 -1.9053 -1.9053 -1.7279 -1.7279 0.2051 0.2051 0.3039 0.3039 0.7251 0.7251 0.8375 0.8375 3.8837 3.8837 3.9553 3.9553 9.2965 9.2965 9.8262 9.8262 k = 0.1299 0.5283-0.0000 ( 3926 PWs) bands (ev): -15.6586 -15.6586 -15.6248 -15.6248 -11.5031 -11.5031 -11.4219 -11.4219 -4.3323 -4.3323 -4.2389 -4.2389 -2.6177 -2.6177 -2.5730 -2.5730 -1.8724 -1.8724 -1.7010 -1.7010 0.2158 0.2158 0.3054 0.3054 0.7289 0.7289 0.8322 0.8322 3.8934 3.8934 3.9585 3.9585 9.2540 9.2540 9.7407 9.7407 k = 0.1181 0.5283-0.0000 ( 3932 PWs) bands (ev): -15.6591 -15.6591 -15.6284 -15.6284 -11.5013 -11.5013 -11.4277 -11.4277 -4.3319 -4.3319 -4.2473 -4.2473 -2.6154 -2.6154 -2.5781 -2.5781 -1.8394 -1.8394 -1.6764 -1.6764 0.2256 0.2256 0.3062 0.3062 0.7329 0.7329 0.8269 0.8269 3.9026 3.9026 3.9613 3.9613 9.2158 9.2158 9.6596 9.6596 k = 0.1063 0.5283-0.0000 ( 3929 PWs) bands (ev): -15.6595 -15.6595 -15.6319 -15.6319 -11.4995 -11.4995 -11.4334 -11.4334 -4.3312 -4.3312 -4.2554 -4.2554 -2.6138 -2.6138 -2.5828 -2.5828 -1.8070 -1.8070 -1.6543 -1.6543 0.2345 0.2345 0.3064 0.3064 0.7371 0.7371 0.8215 0.8215 3.9112 3.9112 3.9637 3.9637 9.1824 9.1824 9.5831 9.5831 k = 0.0945 0.5283-0.0000 ( 3932 PWs) bands (ev): -15.6597 -15.6597 -15.6353 -15.6353 -11.4974 -11.4974 -11.4389 -11.4389 -4.3303 -4.3303 -4.2630 -4.2630 -2.6126 -2.6126 -2.5870 -2.5870 -1.7754 -1.7754 -1.6349 -1.6349 0.2426 0.2426 0.3059 0.3059 0.7413 0.7413 0.8161 0.8161 3.9193 3.9193 3.9656 3.9656 9.1540 9.1540 9.5116 9.5116 k = 0.0827 0.5283-0.0000 ( 3928 PWs) bands (ev): -15.6598 -15.6598 -15.6384 -15.6384 -11.4953 -11.4953 -11.4441 -11.4441 -4.3290 -4.3290 -4.2703 -4.2703 -2.6117 -2.6117 -2.5909 -2.5909 -1.7451 -1.7451 -1.6185 -1.6185 0.2500 0.2500 0.3049 0.3049 0.7457 0.7457 0.8108 0.8108 3.9269 3.9269 3.9671 3.9671 9.1311 9.1311 9.4451 9.4451 k = 0.0709 0.5283-0.0000 ( 3930 PWs) bands (ev): -15.6596 -15.6596 -15.6414 -15.6414 -11.4929 -11.4929 -11.4492 -11.4492 -4.3274 -4.3274 -4.2772 -4.2772 -2.6111 -2.6111 -2.5942 -2.5942 -1.7166 -1.7166 -1.6053 -1.6053 0.2566 0.2566 0.3033 0.3033 0.7500 0.7500 0.8056 0.8056 3.9338 3.9338 3.9681 3.9681 9.1138 9.1138 9.3841 9.3841 k = 0.0590 0.5283-0.0000 ( 3924 PWs) bands (ev): -15.6593 -15.6593 -15.6441 -15.6441 -11.4904 -11.4904 -11.4540 -11.4540 -4.3254 -4.3254 -4.2836 -4.2836 -2.6106 -2.6106 -2.5972 -2.5972 -1.6902 -1.6902 -1.5954 -1.5954 0.2626 0.2626 0.3014 0.3014 0.7544 0.7544 0.8005 0.8005 3.9401 3.9401 3.9686 3.9686 9.1025 9.1025 9.3285 9.3285 k = 0.0472 0.5283-0.0000 ( 3914 PWs) bands (ev): -15.6588 -15.6588 -15.6466 -15.6466 -11.4877 -11.4877 -11.4586 -11.4586 -4.3230 -4.3230 -4.2897 -4.2897 -2.6100 -2.6100 -2.5998 -2.5998 -1.6661 -1.6661 -1.5890 -1.5890 0.2681 0.2681 0.2989 0.2989 0.7588 0.7588 0.7955 0.7955 3.9458 3.9458 3.9685 3.9685 9.0972 9.0972 9.2786 9.2786 k = 0.0354 0.5283-0.0000 ( 3913 PWs) bands (ev): -15.6580 -15.6580 -15.6489 -15.6489 -11.4848 -11.4848 -11.4630 -11.4630 -4.3203 -4.3203 -4.2953 -4.2953 -2.6095 -2.6095 -2.6021 -2.6021 -1.6448 -1.6448 -1.5862 -1.5862 0.2731 0.2731 0.2962 0.2962 0.7633 0.7633 0.7906 0.7906 3.9509 3.9509 3.9678 3.9678 9.0981 9.0981 9.2345 9.2345 k = 0.0236 0.5283-0.0000 ( 3911 PWs) bands (ev): -15.6571 -15.6571 -15.6510 -15.6510 -11.4817 -11.4817 -11.4672 -11.4672 -4.3172 -4.3172 -4.3005 -4.3005 -2.6088 -2.6088 -2.6040 -2.6040 -1.6265 -1.6265 -1.5870 -1.5870 0.2778 0.2778 0.2931 0.2931 0.7677 0.7677 0.7859 0.7859 3.9553 3.9553 3.9665 3.9665 9.1052 9.1052 9.1963 9.1963 k = 0.0118 0.5283-0.0000 ( 3910 PWs) bands (ev): -15.6559 -15.6559 -15.6528 -15.6528 -11.4784 -11.4784 -11.4711 -11.4711 -4.3136 -4.3136 -4.3053 -4.3053 -2.6080 -2.6080 -2.6056 -2.6056 -1.6114 -1.6114 -1.5916 -1.5916 0.2821 0.2821 0.2897 0.2897 0.7721 0.7721 0.7812 0.7812 3.9591 3.9591 3.9647 3.9647 9.1187 9.1187 9.1643 9.1643 k = 0.0000 0.5283-0.0000 ( 3908 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4750 -11.4750 -11.4747 -11.4747 -4.3098 -4.3098 -4.3096 -4.3096 -2.6070 -2.6070 -2.6068 -2.6068 -1.5998 -1.5998 -1.5996 -1.5996 0.2859 0.2859 0.2861 0.2861 0.7765 0.7765 0.7767 0.7767 3.9621 3.9621 3.9623 3.9623 9.1383 9.1383 9.1384 9.1384 k = 0.0000 0.5283-0.0000 ( 3908 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4750 -11.4750 -11.4747 -11.4747 -4.3098 -4.3098 -4.3096 -4.3096 -2.6070 -2.6070 -2.6068 -2.6068 -1.5998 -1.5998 -1.5996 -1.5996 0.2859 0.2859 0.2861 0.2861 0.7765 0.7765 0.7767 0.7767 3.9621 3.9621 3.9623 3.9623 9.1383 9.1383 9.1384 9.1384 k = 0.0000 0.5283 0.0116 ( 3908 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4750 -11.4750 -11.4747 -11.4747 -4.3092 -4.3092 -4.3088 -4.3088 -2.6087 -2.6087 -2.6081 -2.6081 -1.6003 -1.6003 -1.5996 -1.5996 0.2854 0.2854 0.2889 0.2889 0.7756 0.7756 0.7790 0.7790 3.9612 3.9612 3.9614 3.9614 9.1395 9.1395 9.1397 9.1397 k = 0.0000 0.5283 0.0232 ( 3908 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4750 -11.4750 -11.4747 -11.4747 -4.3072 -4.3072 -4.3067 -4.3067 -2.6133 -2.6133 -2.6122 -2.6122 -1.6012 -1.6012 -1.5998 -1.5998 0.2868 0.2868 0.2939 0.2939 0.7758 0.7758 0.7827 0.7827 3.9585 3.9585 3.9589 3.9589 9.1434 9.1434 9.1437 9.1437 k = 0.0000 0.5283 0.0347 ( 3918 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4751 -11.4751 -11.4748 -11.4748 -4.3038 -4.3038 -4.3033 -4.3033 -2.6207 -2.6207 -2.6191 -2.6191 -1.6025 -1.6025 -1.6005 -1.6005 0.2903 0.2903 0.3009 0.3009 0.7774 0.7774 0.7877 0.7877 3.9540 3.9540 3.9548 3.9548 9.1497 9.1497 9.1502 9.1502 k = 0.0000 0.5283 0.0463 ( 3924 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4752 -11.4752 -11.4749 -11.4749 -4.2992 -4.2992 -4.2985 -4.2985 -2.6307 -2.6307 -2.6286 -2.6286 -1.6041 -1.6041 -1.6015 -1.6015 0.2956 0.2956 0.3097 0.3097 0.7802 0.7802 0.7940 0.7940 3.9480 3.9480 3.9490 3.9490 9.1585 9.1585 9.1591 9.1591 k = 0.0000 0.5283 0.0579 ( 3922 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4753 -11.4753 -11.4750 -11.4750 -4.2934 -4.2934 -4.2926 -4.2926 -2.6432 -2.6432 -2.6406 -2.6406 -1.6060 -1.6060 -1.6028 -1.6028 0.3024 0.3024 0.3200 0.3200 0.7844 0.7844 0.8015 0.8015 3.9406 3.9406 3.9418 3.9418 9.1696 9.1696 9.1704 9.1704 k = 0.0000 0.5283 0.0695 ( 3922 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4754 -11.4754 -11.4751 -11.4751 -4.2866 -4.2866 -4.2856 -4.2856 -2.6577 -2.6577 -2.6548 -2.6548 -1.6080 -1.6080 -1.6043 -1.6043 0.3104 0.3104 0.3313 0.3313 0.7899 0.7899 0.8103 0.8103 3.9318 3.9318 3.9332 3.9332 9.1829 9.1829 9.1838 9.1838 k = 0.0000 0.5283 0.0811 ( 3930 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4755 -11.4755 -11.4752 -11.4752 -4.2787 -4.2787 -4.2776 -4.2776 -2.6740 -2.6740 -2.6707 -2.6707 -1.6102 -1.6102 -1.6060 -1.6060 0.3193 0.3193 0.3434 0.3434 0.7967 0.7967 0.8202 0.8202 3.9220 3.9220 3.9236 3.9236 9.1982 9.1982 9.1992 9.1992 k = 0.0000 0.5283 0.0927 ( 3932 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4756 -11.4756 -11.4753 -11.4753 -4.2701 -4.2701 -4.2688 -4.2688 -2.6918 -2.6918 -2.6882 -2.6882 -1.6124 -1.6124 -1.6078 -1.6078 0.3286 0.3286 0.3558 0.3558 0.8047 0.8047 0.8312 0.8312 3.9112 3.9112 3.9130 3.9130 9.2152 9.2152 9.2162 9.2162 k = 0.0000 0.5283 0.1042 ( 3932 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4758 -11.4758 -11.4755 -11.4755 -4.2608 -4.2608 -4.2594 -4.2594 -2.7105 -2.7105 -2.7066 -2.7066 -1.6146 -1.6146 -1.6096 -1.6096 0.3380 0.3380 0.3681 0.3681 0.8137 0.8137 0.8430 0.8430 3.8998 3.8998 3.9018 3.9018 9.2336 9.2336 9.2347 9.2347 k = 0.0000 0.5283 0.1158 ( 3930 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4759 -11.4759 -11.4756 -11.4756 -4.2511 -4.2511 -4.2495 -4.2495 -2.7298 -2.7298 -2.7257 -2.7257 -1.6167 -1.6167 -1.6114 -1.6114 0.3473 0.3473 0.3800 0.3800 0.8236 0.8236 0.8555 0.8555 3.8880 3.8880 3.8901 3.8901 9.2530 9.2530 9.2542 9.2542 k = 0.0000 0.5283 0.1274 ( 3928 PWs) bands (ev): -15.6546 -15.6546 -15.6543 -15.6543 -11.4760 -11.4760 -11.4757 -11.4757 -4.2412 -4.2412 -4.2395 -4.2395 -2.7492 -2.7492 -2.7450 -2.7450 -1.6188 -1.6188 -1.6132 -1.6132 0.3562 0.3562 0.3912 0.3912 0.8342 0.8342 0.8684 0.8684 3.8761 3.8761 3.8784 3.8784 9.2732 9.2732 9.2744 9.2744 k = 0.0000 0.5283 0.1390 ( 3918 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4762 -11.4762 -11.4759 -11.4759 -4.2313 -4.2313 -4.2295 -4.2295 -2.7682 -2.7682 -2.7639 -2.7639 -1.6206 -1.6206 -1.6148 -1.6148 0.3645 0.3645 0.4015 0.4015 0.8451 0.8451 0.8813 0.8813 3.8643 3.8643 3.8668 3.8668 9.2935 9.2935 9.2948 9.2948 k = 0.0000 0.5283 0.1506 ( 3926 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4763 -11.4763 -11.4760 -11.4760 -4.2217 -4.2217 -4.2198 -4.2198 -2.7865 -2.7865 -2.7820 -2.7820 -1.6224 -1.6224 -1.6163 -1.6163 0.3720 0.3720 0.4107 0.4107 0.8560 0.8560 0.8939 0.8939 3.8531 3.8531 3.8557 3.8557 9.3135 9.3135 9.3149 9.3149 k = 0.0000 0.5283 0.1622 ( 3928 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4764 -11.4764 -11.4761 -11.4761 -4.2127 -4.2127 -4.2107 -4.2107 -2.8034 -2.8034 -2.7989 -2.7989 -1.6239 -1.6239 -1.6177 -1.6177 0.3786 0.3786 0.4187 0.4187 0.8666 0.8666 0.9058 0.9058 3.8427 3.8427 3.8454 3.8454 9.3327 9.3327 9.3340 9.3340 k = 0.0000 0.5283 0.1737 ( 3926 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4765 -11.4765 -11.4762 -11.4762 -4.2045 -4.2045 -4.2024 -4.2024 -2.8186 -2.8186 -2.8140 -2.8140 -1.6252 -1.6252 -1.6189 -1.6189 0.3842 0.3842 0.4254 0.4254 0.8763 0.8763 0.9166 0.9166 3.8333 3.8333 3.8361 3.8361 9.3504 9.3504 9.3517 9.3517 k = 0.0000 0.5283 0.1853 ( 3924 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4766 -11.4766 -11.4763 -11.4763 -4.1973 -4.1973 -4.1951 -4.1951 -2.8317 -2.8317 -2.8271 -2.8271 -1.6262 -1.6262 -1.6198 -1.6198 0.3888 0.3888 0.4309 0.4309 0.8849 0.8849 0.9261 0.9261 3.8252 3.8252 3.8281 3.8281 9.3660 9.3660 9.3673 9.3673 k = 0.0000 0.5283 0.1969 ( 3930 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4767 -11.4767 -11.4764 -11.4764 -4.1915 -4.1915 -4.1893 -4.1893 -2.8422 -2.8422 -2.8376 -2.8376 -1.6271 -1.6271 -1.6206 -1.6206 0.3924 0.3924 0.4352 0.4352 0.8920 0.8920 0.9338 0.9338 3.8187 3.8187 3.8216 3.8216 9.3789 9.3789 9.3802 9.3802 k = 0.0000 0.5283 0.2085 ( 3930 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4768 -11.4768 -11.4765 -11.4765 -4.1872 -4.1872 -4.1849 -4.1849 -2.8500 -2.8500 -2.8454 -2.8454 -1.6277 -1.6277 -1.6211 -1.6211 0.3950 0.3950 0.4382 0.4382 0.8973 0.8973 0.9395 0.9395 3.8138 3.8138 3.8168 3.8168 9.3885 9.3885 9.3898 9.3898 k = 0.0000 0.5283 0.2201 ( 3928 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4768 -11.4768 -11.4765 -11.4765 -4.1846 -4.1846 -4.1822 -4.1822 -2.8548 -2.8548 -2.8501 -2.8501 -1.6281 -1.6281 -1.6215 -1.6215 0.3966 0.3966 0.4400 0.4400 0.9005 0.9005 0.9430 0.9430 3.8109 3.8109 3.8139 3.8139 9.3945 9.3945 9.3958 9.3958 k = 0.0000 0.5283 0.2317 ( 3920 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4768 -11.4768 -11.4765 -11.4765 -4.1837 -4.1837 -4.1813 -4.1813 -2.8564 -2.8564 -2.8517 -2.8517 -1.6282 -1.6282 -1.6216 -1.6216 0.3971 0.3971 0.4406 0.4406 0.9017 0.9017 0.9442 0.9442 3.8099 3.8099 3.8129 3.8129 9.3965 9.3965 9.3978 9.3978 k = 0.0000 0.5283 0.2317 ( 3920 PWs) bands (ev): -15.6545 -15.6545 -15.6542 -15.6542 -11.4768 -11.4768 -11.4765 -11.4765 -4.1837 -4.1837 -4.1813 -4.1813 -2.8564 -2.8564 -2.8517 -2.8517 -1.6282 -1.6282 -1.6216 -1.6216 0.3971 0.3971 0.4406 0.4406 0.9017 0.9017 0.9442 0.9442 3.8099 3.8099 3.8129 3.8129 9.3965 9.3965 9.3978 9.3978 k = 0.0118 0.5283 0.2317 ( 3924 PWs) bands (ev): -15.6544 -15.6544 -15.6541 -15.6541 -11.4767 -11.4767 -11.4764 -11.4764 -4.1836 -4.1836 -4.1813 -4.1813 -2.8559 -2.8559 -2.8512 -2.8512 -1.6301 -1.6301 -1.6236 -1.6236 0.3972 0.3972 0.4408 0.4408 0.9012 0.9012 0.9438 0.9438 3.8099 3.8099 3.8129 3.8129 9.3988 9.3988 9.4000 9.4000 k = 0.0236 0.5283 0.2317 ( 3924 PWs) bands (ev): -15.6540 -15.6540 -15.6537 -15.6537 -11.4764 -11.4764 -11.4761 -11.4761 -4.1834 -4.1834 -4.1811 -4.1811 -2.8544 -2.8544 -2.8498 -2.8498 -1.6360 -1.6360 -1.6294 -1.6294 0.3977 0.3977 0.4413 0.4413 0.8996 0.8996 0.9423 0.9423 3.8097 3.8097 3.8127 3.8127 9.4055 9.4055 9.4067 9.4067 k = 0.0354 0.5283 0.2317 ( 3922 PWs) bands (ev): -15.6535 -15.6535 -15.6532 -15.6532 -11.4758 -11.4758 -11.4755 -11.4755 -4.1832 -4.1832 -4.1808 -4.1808 -2.8520 -2.8520 -2.8473 -2.8473 -1.6457 -1.6457 -1.6391 -1.6391 0.3984 0.3984 0.4421 0.4421 0.8971 0.8971 0.9400 0.9400 3.8095 3.8095 3.8125 3.8125 9.4167 9.4167 9.4179 9.4179 k = 0.0472 0.5283 0.2317 ( 3918 PWs) bands (ev): -15.6527 -15.6527 -15.6524 -15.6524 -11.4751 -11.4751 -11.4748 -11.4748 -4.1828 -4.1828 -4.1805 -4.1805 -2.8486 -2.8486 -2.8439 -2.8439 -1.6591 -1.6591 -1.6525 -1.6525 0.3993 0.3993 0.4432 0.4432 0.8936 0.8936 0.9366 0.9366 3.8092 3.8092 3.8122 3.8122 9.4325 9.4325 9.4336 9.4336 k = 0.0590 0.5283 0.2317 ( 3928 PWs) bands (ev): -15.6517 -15.6517 -15.6514 -15.6514 -11.4741 -11.4741 -11.4738 -11.4738 -4.1823 -4.1823 -4.1800 -4.1800 -2.8442 -2.8442 -2.8395 -2.8395 -1.6760 -1.6760 -1.6694 -1.6694 0.4004 0.4004 0.4446 0.4446 0.8890 0.8890 0.9323 0.9323 3.8088 3.8088 3.8118 3.8118 9.4527 9.4527 9.4538 9.4538 k = 0.0709 0.5283 0.2317 ( 3928 PWs) bands (ev): -15.6505 -15.6505 -15.6502 -15.6502 -11.4729 -11.4729 -11.4726 -11.4726 -4.1817 -4.1817 -4.1794 -4.1794 -2.8389 -2.8389 -2.8341 -2.8341 -1.6963 -1.6963 -1.6897 -1.6897 0.4016 0.4016 0.4461 0.4461 0.8834 0.8834 0.9270 0.9270 3.8083 3.8083 3.8112 3.8112 9.4775 9.4775 9.4784 9.4784 k = 0.0827 0.5283 0.2317 ( 3924 PWs) bands (ev): -15.6491 -15.6491 -15.6488 -15.6488 -11.4716 -11.4716 -11.4713 -11.4713 -4.1810 -4.1810 -4.1787 -4.1787 -2.8327 -2.8327 -2.8279 -2.8279 -1.7197 -1.7197 -1.7130 -1.7130 0.4029 0.4029 0.4476 0.4476 0.8768 0.8768 0.9206 0.9206 3.8077 3.8077 3.8106 3.8106 9.5067 9.5067 9.5076 9.5076 k = 0.0945 0.5283 0.2317 ( 3918 PWs) bands (ev): -15.6475 -15.6475 -15.6472 -15.6472 -11.4700 -11.4700 -11.4697 -11.4697 -4.1801 -4.1801 -4.1780 -4.1780 -2.8256 -2.8256 -2.8207 -2.8207 -1.7459 -1.7459 -1.7392 -1.7392 0.4042 0.4042 0.4493 0.4493 0.8690 0.8690 0.9132 0.9132 3.8070 3.8070 3.8099 3.8099 9.5404 9.5404 9.5411 9.5411 k = 0.1063 0.5283 0.2317 ( 3918 PWs) bands (ev): -15.6458 -15.6458 -15.6455 -15.6455 -11.4682 -11.4682 -11.4680 -11.4680 -4.1793 -4.1793 -4.1771 -4.1771 -2.8177 -2.8177 -2.8127 -2.8127 -1.7747 -1.7747 -1.7679 -1.7679 0.4055 0.4055 0.4509 0.4509 0.8602 0.8602 0.9048 0.9048 3.8062 3.8062 3.8090 3.8090 9.5784 9.5784 9.5790 9.5790 k = 0.1181 0.5283 0.2317 ( 3914 PWs) bands (ev): -15.6439 -15.6439 -15.6436 -15.6436 -11.4663 -11.4663 -11.4660 -11.4660 -4.1783 -4.1783 -4.1762 -4.1762 -2.8089 -2.8089 -2.8039 -2.8039 -1.8057 -1.8057 -1.7989 -1.7989 0.4066 0.4066 0.4524 0.4524 0.8504 0.8504 0.8953 0.8953 3.8053 3.8053 3.8081 3.8081 9.6206 9.6206 9.6211 9.6211 k = 0.1299 0.5283 0.2317 ( 3914 PWs) bands (ev): -15.6418 -15.6418 -15.6415 -15.6415 -11.4642 -11.4642 -11.4639 -11.4639 -4.1772 -4.1772 -4.1752 -4.1752 -2.7994 -2.7994 -2.7943 -2.7943 -1.8386 -1.8386 -1.8318 -1.8318 0.4076 0.4076 0.4537 0.4537 0.8394 0.8394 0.8848 0.8848 3.8042 3.8042 3.8070 3.8070 9.6667 9.6667 9.6671 9.6671 k = 0.1417 0.5283 0.2317 ( 3916 PWs) bands (ev): -15.6396 -15.6396 -15.6393 -15.6393 -11.4620 -11.4620 -11.4617 -11.4617 -4.1761 -4.1761 -4.1741 -4.1741 -2.7892 -2.7892 -2.7840 -2.7840 -1.8732 -1.8732 -1.8662 -1.8662 0.4084 0.4084 0.4549 0.4549 0.8274 0.8274 0.8732 0.8732 3.8030 3.8030 3.8057 3.8057 9.7166 9.7166 9.7169 9.7169 k = 0.1535 0.5283 0.2317 ( 3916 PWs) bands (ev): -15.6372 -15.6372 -15.6369 -15.6369 -11.4596 -11.4596 -11.4593 -11.4593 -4.1748 -4.1748 -4.1730 -4.1730 -2.7783 -2.7783 -2.7730 -2.7730 -1.9090 -1.9090 -1.9020 -1.9020 0.4090 0.4090 0.4558 0.4558 0.8144 0.8144 0.8605 0.8605 3.8017 3.8017 3.8043 3.8043 9.7699 9.7699 9.7702 9.7702 k = 0.1653 0.5283 0.2317 ( 3918 PWs) bands (ev): -15.6348 -15.6348 -15.6345 -15.6345 -11.4571 -11.4571 -11.4568 -11.4568 -4.1736 -4.1736 -4.1718 -4.1718 -2.7669 -2.7669 -2.7615 -2.7615 -1.9457 -1.9457 -1.9387 -1.9387 0.4094 0.4094 0.4565 0.4565 0.8004 0.8004 0.8469 0.8469 3.8002 3.8002 3.8028 3.8028 9.8263 9.8263 9.8264 9.8264 k = 0.1771 0.5283 0.2317 ( 3918 PWs) bands (ev): -15.6323 -15.6323 -15.6320 -15.6320 -11.4544 -11.4544 -11.4541 -11.4541 -4.1723 -4.1723 -4.1705 -4.1705 -2.7550 -2.7550 -2.7495 -2.7495 -1.9831 -1.9831 -1.9759 -1.9759 0.4095 0.4095 0.4569 0.4569 0.7854 0.7854 0.8323 0.8323 3.7985 3.7985 3.8010 3.8010 9.8851 9.8851 9.8853 9.8853 k = 0.1889 0.5283 0.2317 ( 3918 PWs) bands (ev): -15.6297 -15.6297 -15.6294 -15.6294 -11.4517 -11.4517 -11.4514 -11.4514 -4.1709 -4.1709 -4.1692 -4.1692 -2.7427 -2.7427 -2.7371 -2.7371 -2.0206 -2.0206 -2.0134 -2.0134 0.4093 0.4093 0.4571 0.4571 0.7695 0.7695 0.8167 0.8167 3.7967 3.7967 3.7991 3.7991 9.9458 9.9458 9.9460 9.9460 k = 0.2008 0.5283 0.2317 ( 3914 PWs) bands (ev): -15.6271 -15.6271 -15.6268 -15.6268 -11.4488 -11.4488 -11.4485 -11.4485 -4.1695 -4.1695 -4.1679 -4.1679 -2.7303 -2.7303 -2.7245 -2.7245 -2.0580 -2.0580 -2.0507 -2.0507 0.4090 0.4090 0.4569 0.4569 0.7528 0.7528 0.8002 0.8002 3.7947 3.7947 3.7970 3.7970 10.0078 10.0078 10.0080 10.0080 k = 0.2126 0.5283 0.2317 ( 3922 PWs) bands (ev): -15.6244 -15.6244 -15.6241 -15.6241 -11.4459 -11.4459 -11.4456 -11.4456 -4.1680 -4.1680 -4.1666 -4.1666 -2.7177 -2.7177 -2.7118 -2.7118 -2.0949 -2.0949 -2.0875 -2.0875 0.4084 0.4084 0.4565 0.4565 0.7353 0.7353 0.7829 0.7829 3.7925 3.7925 3.7948 3.7948 10.0701 10.0701 10.0703 10.0703 k = 0.2244 0.5283 0.2317 ( 3924 PWs) bands (ev): -15.6217 -15.6217 -15.6214 -15.6214 -11.4429 -11.4429 -11.4426 -11.4426 -4.1666 -4.1666 -4.1652 -4.1652 -2.7054 -2.7054 -2.6994 -2.6994 -2.1308 -2.1308 -2.1233 -2.1233 0.4076 0.4076 0.4558 0.4558 0.7171 0.7171 0.7649 0.7649 3.7902 3.7902 3.7923 3.7923 10.1317 10.1317 10.1319 10.1319 k = 0.2362 0.5283 0.2317 ( 3920 PWs) bands (ev): -15.6191 -15.6191 -15.6188 -15.6188 -11.4399 -11.4399 -11.4396 -11.4396 -4.1651 -4.1651 -4.1638 -4.1638 -2.6935 -2.6935 -2.6874 -2.6874 -2.1652 -2.1652 -2.1577 -2.1577 0.4067 0.4067 0.4549 0.4549 0.6983 0.6983 0.7461 0.7461 3.7876 3.7876 3.7896 3.7896 10.1910 10.1910 10.1911 10.1911 k = 0.2480 0.5283 0.2317 ( 3920 PWs) bands (ev): -15.6164 -15.6164 -15.6161 -15.6161 -11.4368 -11.4368 -11.4365 -11.4365 -4.1636 -4.1636 -4.1624 -4.1624 -2.6823 -2.6823 -2.6761 -2.6761 -2.1977 -2.1977 -2.1902 -2.1902 0.4057 0.4057 0.4538 0.4538 0.6791 0.6791 0.7267 0.7267 3.7849 3.7849 3.7868 3.7868 10.2456 10.2456 10.2458 10.2458 k = 0.2598 0.5283 0.2317 ( 3926 PWs) bands (ev): -15.6139 -15.6139 -15.6136 -15.6136 -11.4337 -11.4337 -11.4334 -11.4334 -4.1622 -4.1622 -4.1611 -4.1611 -2.6724 -2.6724 -2.6662 -2.6662 -2.2276 -2.2276 -2.2202 -2.2202 0.4047 0.4047 0.4524 0.4524 0.6594 0.6594 0.7067 0.7067 3.7819 3.7819 3.7837 3.7837 10.2912 10.2912 10.2915 10.2915 k = 0.2716 0.5283 0.2317 ( 3920 PWs) bands (ev): -15.6114 -15.6114 -15.6111 -15.6111 -11.4305 -11.4305 -11.4303 -11.4303 -4.1607 -4.1607 -4.1597 -4.1597 -2.6641 -2.6641 -2.6580 -2.6580 -2.2543 -2.2543 -2.2470 -2.2470 0.4036 0.4036 0.4507 0.4507 0.6395 0.6395 0.6863 0.6863 3.7788 3.7788 3.7805 3.7805 10.3201 10.3201 10.3207 10.3207 k = 0.2834 0.5283 0.2317 ( 3928 PWs) bands (ev): -15.6090 -15.6090 -15.6087 -15.6087 -11.4274 -11.4274 -11.4271 -11.4271 -4.1593 -4.1593 -4.1584 -4.1584 -2.6581 -2.6581 -2.6521 -2.6521 -2.2770 -2.2770 -2.2700 -2.2700 0.4025 0.4025 0.4488 0.4488 0.6194 0.6194 0.6654 0.6654 3.7755 3.7755 3.7770 3.7770 10.3242 10.3242 10.3249 10.3249 k = 0.2952 0.5283 0.2317 ( 3932 PWs) bands (ev): -15.6067 -15.6067 -15.6064 -15.6064 -11.4243 -11.4243 -11.4240 -11.4240 -4.1579 -4.1579 -4.1571 -4.1571 -2.6548 -2.6548 -2.6493 -2.6493 -2.2950 -2.2950 -2.2885 -2.2885 0.4015 0.4015 0.4465 0.4465 0.5995 0.5995 0.6443 0.6443 3.7721 3.7721 3.7734 3.7734 10.3064 10.3064 10.3071 10.3071 k = 0.3070 0.5283 0.2317 ( 3924 PWs) bands (ev): -15.6045 -15.6045 -15.6042 -15.6042 -11.4213 -11.4213 -11.4210 -11.4210 -4.1566 -4.1566 -4.1559 -4.1559 -2.6548 -2.6548 -2.6498 -2.6498 -2.3077 -2.3077 -2.3019 -2.3019 0.4006 0.4006 0.4438 0.4438 0.5800 0.5800 0.6229 0.6229 3.7685 3.7685 3.7697 3.7697 10.2773 10.2773 10.2779 10.2779 k = 0.3188 0.5283 0.2317 ( 3924 PWs) bands (ev): -15.6026 -15.6026 -15.6023 -15.6023 -11.4182 -11.4182 -11.4180 -11.4180 -4.1553 -4.1553 -4.1547 -4.1547 -2.6581 -2.6581 -2.6539 -2.6539 -2.3149 -2.3149 -2.3100 -2.3100 0.3999 0.3999 0.4405 0.4405 0.5611 0.5611 0.6015 0.6015 3.7648 3.7648 3.7658 3.7658 10.2439 10.2439 10.2445 10.2445 k = 0.3307 0.5283 0.2317 ( 3922 PWs) bands (ev): -15.6008 -15.6008 -15.6005 -15.6005 -11.4153 -11.4153 -11.4150 -11.4150 -4.1541 -4.1541 -4.1536 -4.1536 -2.6646 -2.6646 -2.6613 -2.6613 -2.3167 -2.3167 -2.3128 -2.3128 0.3993 0.3993 0.4361 0.4361 0.5434 0.5434 0.5800 0.5800 3.7609 3.7609 3.7618 3.7618 10.2097 10.2097 10.2101 10.2101 k = 0.3425 0.5283 0.2317 ( 3928 PWs) bands (ev): -15.5992 -15.5992 -15.5989 -15.5989 -11.4124 -11.4124 -11.4121 -11.4121 -4.1531 -4.1531 -4.1526 -4.1526 -2.6738 -2.6738 -2.6714 -2.6714 -2.3137 -2.3137 -2.3108 -2.3108 0.3989 0.3989 0.4302 0.4302 0.5275 0.5275 0.5586 0.5586 3.7570 3.7570 3.7577 3.7577 10.1761 10.1761 10.1765 10.1765 k = 0.3543 0.5283 0.2317 ( 3926 PWs) bands (ev): -15.5978 -15.5978 -15.5975 -15.5975 -11.4096 -11.4096 -11.4093 -11.4093 -4.1521 -4.1521 -4.1517 -4.1517 -2.6850 -2.6850 -2.6835 -2.6835 -2.3065 -2.3065 -2.3047 -2.3047 0.3988 0.3988 0.4222 0.4222 0.5141 0.5141 0.5375 0.5375 3.7530 3.7530 3.7535 3.7535 10.1440 10.1440 10.1443 10.1443 k = 0.3661 0.5283 0.2317 ( 3920 PWs) bands (ev): -15.5967 -15.5967 -15.5964 -15.5964 -11.4069 -11.4069 -11.4066 -11.4066 -4.1512 -4.1512 -4.1508 -4.1508 -2.6973 -2.6973 -2.6966 -2.6966 -2.2961 -2.2961 -2.2952 -2.2952 0.3987 0.3987 0.4116 0.4116 0.5038 0.5038 0.5167 0.5167 3.7490 3.7490 3.7492 3.7492 10.1138 10.1138 10.1140 10.1140 k = 0.3779 0.5283 0.2317 ( 3914 PWs) bands (ev): -15.5958 -15.5958 -15.5955 -15.5955 -11.4043 -11.4043 -11.4041 -11.4041 -4.1505 -4.1505 -4.1501 -4.1501 -2.7101 -2.7101 -2.7098 -2.7098 -2.2831 -2.2831 -2.2829 -2.2829 0.3984 0.3984 0.3986 0.3986 0.4966 0.4966 0.4968 0.4968 3.7449 3.7449 3.7450 3.7450 10.0858 10.0858 10.0859 10.0859 k = 0.3779 0.5283 0.2317 ( 3914 PWs) bands (ev): -15.5958 -15.5958 -15.5955 -15.5955 -11.4043 -11.4043 -11.4041 -11.4041 -4.1505 -4.1505 -4.1501 -4.1501 -2.7101 -2.7101 -2.7098 -2.7098 -2.2831 -2.2831 -2.2829 -2.2829 0.3984 0.3984 0.3986 0.3986 0.4966 0.4966 0.4968 0.4968 3.7449 3.7449 3.7450 3.7450 10.0858 10.0858 10.0859 10.0859 k = 0.3710 0.5187 0.2317 ( 3924 PWs) bands (ev): -15.5972 -15.5972 -15.5969 -15.5969 -11.4087 -11.4087 -11.4084 -11.4084 -4.1516 -4.1516 -4.1512 -4.1512 -2.6873 -2.6873 -2.6871 -2.6871 -2.3065 -2.3065 -2.3062 -2.3062 0.4105 0.4105 0.4107 0.4107 0.5188 0.5188 0.5190 0.5190 3.7518 3.7518 3.7519 3.7519 10.1340 10.1340 10.1341 10.1341 k = 0.3642 0.5091 0.2317 ( 3924 PWs) bands (ev): -15.5987 -15.5987 -15.5984 -15.5984 -11.4131 -11.4131 -11.4128 -11.4128 -4.1527 -4.1527 -4.1523 -4.1523 -2.6635 -2.6635 -2.6633 -2.6633 -2.3291 -2.3291 -2.3288 -2.3288 0.4219 0.4219 0.4221 0.4221 0.5418 0.5418 0.5421 0.5421 3.7582 3.7582 3.7584 3.7584 10.1859 10.1859 10.1860 10.1860 k = 0.3573 0.4995 0.2317 ( 3924 PWs) bands (ev): -15.6005 -15.6005 -15.6002 -15.6002 -11.4175 -11.4175 -11.4173 -11.4173 -4.1537 -4.1537 -4.1533 -4.1533 -2.6389 -2.6389 -2.6387 -2.6387 -2.3508 -2.3508 -2.3505 -2.3505 0.4329 0.4329 0.4330 0.4330 0.5653 0.5653 0.5655 0.5655 3.7642 3.7642 3.7643 3.7643 10.2414 10.2414 10.2415 10.2415 k = 0.3504 0.4899 0.2317 ( 3920 PWs) bands (ev): -15.6024 -15.6024 -15.6021 -15.6021 -11.4220 -11.4220 -11.4217 -11.4217 -4.1547 -4.1547 -4.1544 -4.1544 -2.6136 -2.6136 -2.6134 -2.6134 -2.3713 -2.3713 -2.3710 -2.3710 0.4436 0.4436 0.4438 0.4438 0.5888 0.5888 0.5890 0.5890 3.7696 3.7696 3.7698 3.7698 10.3002 10.3002 10.3003 10.3003 k = 0.3435 0.4803 0.2317 ( 3920 PWs) bands (ev): -15.6045 -15.6045 -15.6042 -15.6042 -11.4264 -11.4264 -11.4261 -11.4261 -4.1557 -4.1557 -4.1554 -4.1554 -2.5877 -2.5877 -2.5875 -2.5875 -2.3902 -2.3902 -2.3900 -2.3900 0.4542 0.4542 0.4543 0.4543 0.6121 0.6121 0.6123 0.6123 3.7746 3.7746 3.7747 3.7747 10.3619 10.3619 10.3621 10.3621 k = 0.3367 0.4707 0.2317 ( 3924 PWs) bands (ev): -15.6068 -15.6068 -15.6065 -15.6065 -11.4307 -11.4307 -11.4304 -11.4304 -4.1567 -4.1567 -4.1564 -4.1564 -2.5617 -2.5617 -2.5614 -2.5614 -2.4071 -2.4071 -2.4068 -2.4068 0.4647 0.4647 0.4649 0.4649 0.6348 0.6348 0.6351 0.6351 3.7791 3.7791 3.7792 3.7792 10.4260 10.4260 10.4261 10.4261 k = 0.3298 0.4611 0.2317 ( 3920 PWs) bands (ev): -15.6094 -15.6094 -15.6091 -15.6091 -11.4350 -11.4350 -11.4347 -11.4347 -4.1578 -4.1578 -4.1574 -4.1574 -2.5363 -2.5363 -2.5360 -2.5360 -2.4210 -2.4210 -2.4207 -2.4207 0.4752 0.4752 0.4754 0.4754 0.6569 0.6569 0.6571 0.6571 3.7832 3.7832 3.7833 3.7833 10.4911 10.4911 10.4912 10.4912 k = 0.3229 0.4515 0.2317 ( 3920 PWs) bands (ev): -15.6122 -15.6122 -15.6119 -15.6119 -11.4392 -11.4392 -11.4389 -11.4389 -4.1589 -4.1589 -4.1585 -4.1585 -2.5136 -2.5136 -2.5134 -2.5134 -2.4296 -2.4296 -2.4293 -2.4293 0.4857 0.4857 0.4859 0.4859 0.6781 0.6781 0.6783 0.6783 3.7869 3.7869 3.7870 3.7870 10.5552 10.5552 10.5553 10.5553 k = 0.3161 0.4419 0.2317 ( 3918 PWs) bands (ev): -15.6152 -15.6152 -15.6149 -15.6149 -11.4432 -11.4432 -11.4430 -11.4430 -4.1601 -4.1601 -4.1597 -4.1597 -2.4985 -2.4985 -2.4983 -2.4983 -2.4282 -2.4282 -2.4279 -2.4279 0.4962 0.4962 0.4964 0.4964 0.6982 0.6982 0.6984 0.6984 3.7902 3.7902 3.7904 3.7904 10.6134 10.6134 10.6135 10.6135 k = 0.3092 0.4323 0.2317 ( 3924 PWs) bands (ev): -15.6184 -15.6184 -15.6181 -15.6181 -11.4472 -11.4472 -11.4469 -11.4469 -4.1613 -4.1613 -4.1609 -4.1609 -2.4946 -2.4946 -2.4944 -2.4944 -2.4129 -2.4129 -2.4126 -2.4126 0.5068 0.5068 0.5070 0.5070 0.7171 0.7171 0.7173 0.7173 3.7934 3.7934 3.7935 3.7935 10.6540 10.6540 10.6541 10.6541 k = 0.3023 0.4227 0.2317 ( 3924 PWs) bands (ev): -15.6219 -15.6219 -15.6216 -15.6216 -11.4510 -11.4510 -11.4507 -11.4507 -4.1627 -4.1627 -4.1623 -4.1623 -2.4974 -2.4974 -2.4971 -2.4971 -2.3882 -2.3882 -2.3880 -2.3880 0.5173 0.5173 0.5175 0.5175 0.7347 0.7347 0.7349 0.7349 3.7963 3.7963 3.7964 3.7964 10.6594 10.6594 10.6595 10.6595 k = 0.2954 0.4131 0.2317 ( 3920 PWs) bands (ev): -15.6256 -15.6256 -15.6253 -15.6253 -11.4546 -11.4546 -11.4543 -11.4543 -4.1642 -4.1642 -4.1638 -4.1638 -2.5016 -2.5016 -2.5014 -2.5014 -2.3593 -2.3593 -2.3590 -2.3590 0.5279 0.5279 0.5281 0.5281 0.7507 0.7507 0.7510 0.7510 3.7991 3.7991 3.7992 3.7992 10.6325 10.6325 10.6326 10.6326 k = 0.2886 0.4035 0.2317 ( 3924 PWs) bands (ev): -15.6295 -15.6295 -15.6292 -15.6292 -11.4580 -11.4580 -11.4577 -11.4577 -4.1658 -4.1658 -4.1654 -4.1654 -2.5052 -2.5052 -2.5049 -2.5049 -2.3282 -2.3282 -2.3280 -2.3280 0.5385 0.5385 0.5387 0.5387 0.7652 0.7652 0.7655 0.7655 3.8018 3.8018 3.8020 3.8020 10.5768 10.5768 10.5769 10.5769 k = 0.2817 0.3939 0.2317 ( 3920 PWs) bands (ev): -15.6337 -15.6337 -15.6334 -15.6334 -11.4613 -11.4613 -11.4610 -11.4610 -4.1675 -4.1675 -4.1671 -4.1671 -2.5072 -2.5072 -2.5069 -2.5069 -2.2960 -2.2960 -2.2957 -2.2957 0.5490 0.5490 0.5492 0.5492 0.7781 0.7781 0.7783 0.7783 3.8045 3.8045 3.8047 3.8047 10.5069 10.5069 10.5071 10.5071 k = 0.2748 0.3842 0.2317 ( 3916 PWs) bands (ev): -15.6381 -15.6381 -15.6378 -15.6378 -11.4643 -11.4643 -11.4640 -11.4640 -4.1694 -4.1694 -4.1690 -4.1690 -2.5073 -2.5073 -2.5070 -2.5070 -2.2629 -2.2629 -2.2626 -2.2626 0.5596 0.5596 0.5597 0.5597 0.7891 0.7891 0.7894 0.7894 3.8073 3.8073 3.8074 3.8074 10.4291 10.4291 10.4293 10.4293 k = 0.2680 0.3746 0.2317 ( 3920 PWs) bands (ev): -15.6427 -15.6427 -15.6424 -15.6424 -11.4672 -11.4672 -11.4669 -11.4669 -4.1714 -4.1714 -4.1710 -4.1710 -2.5052 -2.5052 -2.5050 -2.5050 -2.2291 -2.2291 -2.2289 -2.2289 0.5700 0.5700 0.5702 0.5702 0.7984 0.7984 0.7986 0.7986 3.8101 3.8101 3.8103 3.8103 10.3462 10.3462 10.3464 10.3464 k = 0.2611 0.3650 0.2317 ( 3912 PWs) bands (ev): -15.6476 -15.6476 -15.6473 -15.6473 -11.4698 -11.4698 -11.4695 -11.4695 -4.1735 -4.1735 -4.1731 -4.1731 -2.5009 -2.5009 -2.5007 -2.5007 -2.1949 -2.1949 -2.1947 -2.1947 0.5804 0.5804 0.5806 0.5806 0.8058 0.8058 0.8060 0.8060 3.8131 3.8131 3.8132 3.8132 10.2599 10.2599 10.2601 10.2601 k = 0.2542 0.3554 0.2317 ( 3920 PWs) bands (ev): -15.6526 -15.6526 -15.6523 -15.6523 -11.4722 -11.4722 -11.4719 -11.4719 -4.1757 -4.1757 -4.1753 -4.1753 -2.4943 -2.4943 -2.4941 -2.4941 -2.1603 -2.1603 -2.1601 -2.1601 0.5907 0.5907 0.5909 0.5909 0.8113 0.8113 0.8115 0.8115 3.8162 3.8162 3.8163 3.8163 10.1712 10.1712 10.1714 10.1714 k = 0.2473 0.3458 0.2317 ( 3908 PWs) bands (ev): -15.6579 -15.6579 -15.6576 -15.6576 -11.4743 -11.4743 -11.4741 -11.4741 -4.1780 -4.1780 -4.1776 -4.1776 -2.4854 -2.4854 -2.4851 -2.4851 -2.1255 -2.1255 -2.1252 -2.1252 0.6009 0.6009 0.6011 0.6011 0.8149 0.8149 0.8151 0.8151 3.8194 3.8194 3.8195 3.8195 10.0810 10.0810 10.0812 10.0812 k = 0.2405 0.3362 0.2317 ( 3916 PWs) bands (ev): -15.6633 -15.6633 -15.6630 -15.6630 -11.4763 -11.4763 -11.4760 -11.4760 -4.1803 -4.1803 -4.1799 -4.1799 -2.4742 -2.4742 -2.4740 -2.4740 -2.0904 -2.0904 -2.0902 -2.0902 0.6109 0.6109 0.6111 0.6111 0.8166 0.8166 0.8168 0.8168 3.8227 3.8227 3.8228 3.8228 9.9900 9.9900 9.9902 9.9902 k = 0.2336 0.3266 0.2317 ( 3918 PWs) bands (ev): -15.6690 -15.6690 -15.6687 -15.6687 -11.4780 -11.4780 -11.4777 -11.4777 -4.1826 -4.1826 -4.1822 -4.1822 -2.4608 -2.4608 -2.4605 -2.4605 -2.0553 -2.0553 -2.0551 -2.0551 0.6208 0.6208 0.6209 0.6209 0.8165 0.8165 0.8167 0.8167 3.8261 3.8261 3.8262 3.8262 9.8988 9.8988 9.8990 9.8990 k = 0.2267 0.3170 0.2317 ( 3932 PWs) bands (ev): -15.6748 -15.6748 -15.6745 -15.6745 -11.4795 -11.4795 -11.4792 -11.4792 -4.1848 -4.1848 -4.1845 -4.1845 -2.4451 -2.4451 -2.4449 -2.4449 -2.0202 -2.0202 -2.0199 -2.0199 0.6303 0.6303 0.6305 0.6305 0.8145 0.8145 0.8148 0.8148 3.8295 3.8295 3.8297 3.8297 9.8079 9.8079 9.8081 9.8081 k = 0.2199 0.3074 0.2317 ( 3928 PWs) bands (ev): -15.6807 -15.6807 -15.6804 -15.6804 -11.4808 -11.4808 -11.4805 -11.4805 -4.1870 -4.1870 -4.1867 -4.1867 -2.4274 -2.4274 -2.4271 -2.4271 -1.9851 -1.9851 -1.9849 -1.9849 0.6396 0.6396 0.6398 0.6398 0.8109 0.8109 0.8111 0.8111 3.8329 3.8329 3.8331 3.8331 9.7179 9.7179 9.7181 9.7181 k = 0.2130 0.2978 0.2317 ( 3928 PWs) bands (ev): -15.6868 -15.6868 -15.6865 -15.6865 -11.4819 -11.4819 -11.4816 -11.4816 -4.1891 -4.1891 -4.1887 -4.1887 -2.4075 -2.4075 -2.4073 -2.4073 -1.9502 -1.9502 -1.9499 -1.9499 0.6484 0.6484 0.6486 0.6486 0.8057 0.8057 0.8059 0.8059 3.8362 3.8362 3.8364 3.8364 9.6291 9.6291 9.6293 9.6293 k = 0.2061 0.2882 0.2317 ( 3928 PWs) bands (ev): -15.6930 -15.6930 -15.6927 -15.6927 -11.4827 -11.4827 -11.4824 -11.4824 -4.1910 -4.1910 -4.1907 -4.1907 -2.3858 -2.3858 -2.3855 -2.3855 -1.9154 -1.9154 -1.9152 -1.9152 0.6566 0.6566 0.6568 0.6568 0.7991 0.7991 0.7994 0.7994 3.8394 3.8394 3.8396 3.8396 9.5419 9.5419 9.5421 9.5421 k = 0.1993 0.2786 0.2317 ( 3928 PWs) bands (ev): -15.6992 -15.6992 -15.6989 -15.6989 -11.4834 -11.4834 -11.4831 -11.4831 -4.1928 -4.1928 -4.1924 -4.1924 -2.3622 -2.3622 -2.3619 -2.3619 -1.8810 -1.8810 -1.8807 -1.8807 0.6640 0.6640 0.6642 0.6642 0.7915 0.7915 0.7918 0.7918 3.8424 3.8424 3.8425 3.8425 9.4568 9.4568 9.4570 9.4570 k = 0.1924 0.2690 0.2317 ( 3938 PWs) bands (ev): -15.7056 -15.7056 -15.7053 -15.7053 -11.4839 -11.4839 -11.4836 -11.4836 -4.1943 -4.1943 -4.1939 -4.1939 -2.3368 -2.3368 -2.3365 -2.3365 -1.8469 -1.8469 -1.8467 -1.8467 0.6702 0.6702 0.6704 0.6704 0.7833 0.7833 0.7836 0.7836 3.8450 3.8450 3.8451 3.8451 9.3741 9.3741 9.3743 9.3743 k = 0.1855 0.2594 0.2317 ( 3938 PWs) bands (ev): -15.7120 -15.7120 -15.7117 -15.7117 -11.4842 -11.4842 -11.4839 -11.4839 -4.1955 -4.1955 -4.1952 -4.1952 -2.3099 -2.3099 -2.3096 -2.3096 -1.8133 -1.8133 -1.8130 -1.8130 0.6745 0.6745 0.6746 0.6746 0.7753 0.7753 0.7755 0.7755 3.8472 3.8472 3.8473 3.8473 9.2940 9.2940 9.2942 9.2942 k = 0.1786 0.2498 0.2317 ( 3934 PWs) bands (ev): -15.7184 -15.7184 -15.7181 -15.7181 -11.4844 -11.4844 -11.4841 -11.4841 -4.1965 -4.1965 -4.1962 -4.1962 -2.2814 -2.2814 -2.2812 -2.2812 -1.7801 -1.7801 -1.7799 -1.7799 0.6759 0.6759 0.6761 0.6761 0.7684 0.7684 0.7686 0.7686 3.8489 3.8489 3.8490 3.8490 9.2169 9.2169 9.2171 9.2171 k = 0.1718 0.2402 0.2317 ( 3930 PWs) bands (ev): -15.7249 -15.7249 -15.7246 -15.7246 -11.4843 -11.4843 -11.4841 -11.4841 -4.1972 -4.1972 -4.1969 -4.1969 -2.2517 -2.2517 -2.2514 -2.2514 -1.7476 -1.7476 -1.7473 -1.7473 0.6735 0.6735 0.6737 0.6737 0.7638 0.7638 0.7640 0.7640 3.8500 3.8500 3.8501 3.8501 9.1429 9.1429 9.1431 9.1431 k = 0.1649 0.2305 0.2317 ( 3934 PWs) bands (ev): -15.7313 -15.7313 -15.7310 -15.7310 -11.4842 -11.4842 -11.4839 -11.4839 -4.1976 -4.1976 -4.1973 -4.1973 -2.2207 -2.2207 -2.2205 -2.2205 -1.7157 -1.7157 -1.7154 -1.7154 0.6664 0.6664 0.6667 0.6667 0.7624 0.7624 0.7625 0.7625 3.8505 3.8505 3.8506 3.8506 9.0724 9.0724 9.0726 9.0726 k = 0.1580 0.2209 0.2317 ( 3942 PWs) bands (ev): -15.7377 -15.7377 -15.7374 -15.7374 -11.4839 -11.4839 -11.4837 -11.4837 -4.1977 -4.1977 -4.1973 -4.1973 -2.1887 -2.1887 -2.1885 -2.1885 -1.6845 -1.6845 -1.6843 -1.6843 0.6551 0.6551 0.6553 0.6553 0.7638 0.7638 0.7640 0.7640 3.8503 3.8503 3.8504 3.8504 9.0054 9.0054 9.0056 9.0056 k = 0.1512 0.2113 0.2317 ( 3946 PWs) bands (ev): -15.7440 -15.7440 -15.7437 -15.7437 -11.4836 -11.4836 -11.4833 -11.4833 -4.1974 -4.1974 -4.1971 -4.1971 -2.1559 -2.1559 -2.1556 -2.1556 -1.6541 -1.6541 -1.6539 -1.6539 0.6403 0.6403 0.6405 0.6405 0.7675 0.7675 0.7677 0.7677 3.8493 3.8493 3.8494 3.8494 8.9422 8.9422 8.9423 8.9423 k = 0.1443 0.2017 0.2317 ( 3936 PWs) bands (ev): -15.7503 -15.7503 -15.7500 -15.7500 -11.4831 -11.4831 -11.4828 -11.4828 -4.1968 -4.1968 -4.1965 -4.1965 -2.1223 -2.1223 -2.1220 -2.1220 -1.6246 -1.6246 -1.6244 -1.6244 0.6229 0.6229 0.6232 0.6232 0.7726 0.7726 0.7728 0.7728 3.8475 3.8475 3.8477 3.8477 8.8827 8.8827 8.8829 8.8829 k = 0.1374 0.1921 0.2317 ( 3936 PWs) bands (ev): -15.7564 -15.7564 -15.7561 -15.7561 -11.4825 -11.4825 -11.4822 -11.4822 -4.1960 -4.1960 -4.1956 -4.1956 -2.0881 -2.0881 -2.0879 -2.0879 -1.5960 -1.5960 -1.5958 -1.5958 0.6037 0.6037 0.6039 0.6039 0.7785 0.7785 0.7787 0.7787 3.8450 3.8450 3.8451 3.8451 8.8272 8.8272 8.8274 8.8274 k = 0.1305 0.1825 0.2317 ( 3928 PWs) bands (ev): -15.7624 -15.7624 -15.7621 -15.7621 -11.4819 -11.4819 -11.4816 -11.4816 -4.1948 -4.1948 -4.1944 -4.1944 -2.0536 -2.0536 -2.0533 -2.0533 -1.5684 -1.5684 -1.5681 -1.5681 0.5831 0.5831 0.5833 0.5833 0.7849 0.7849 0.7851 0.7851 3.8416 3.8416 3.8418 3.8418 8.7756 8.7756 8.7758 8.7758 k = 0.1237 0.1729 0.2317 ( 3922 PWs) bands (ev): -15.7682 -15.7682 -15.7679 -15.7679 -11.4812 -11.4812 -11.4809 -11.4809 -4.1933 -4.1933 -4.1930 -4.1930 -2.0189 -2.0189 -2.0186 -2.0186 -1.5418 -1.5418 -1.5416 -1.5416 0.5615 0.5615 0.5617 0.5617 0.7915 0.7915 0.7917 0.7917 3.8375 3.8375 3.8377 3.8377 8.7279 8.7279 8.7281 8.7281 k = 0.1168 0.1633 0.2317 ( 3914 PWs) bands (ev): -15.7739 -15.7739 -15.7736 -15.7736 -11.4805 -11.4805 -11.4802 -11.4802 -4.1916 -4.1916 -4.1913 -4.1913 -1.9841 -1.9841 -1.9839 -1.9839 -1.5163 -1.5163 -1.5161 -1.5161 0.5392 0.5392 0.5394 0.5394 0.7982 0.7982 0.7983 0.7983 3.8327 3.8327 3.8328 3.8328 8.6842 8.6842 8.6843 8.6843 k = 0.1099 0.1537 0.2317 ( 3910 PWs) bands (ev): -15.7794 -15.7794 -15.7791 -15.7791 -11.4797 -11.4797 -11.4794 -11.4794 -4.1897 -4.1897 -4.1894 -4.1894 -1.9496 -1.9496 -1.9493 -1.9493 -1.4920 -1.4920 -1.4918 -1.4918 0.5164 0.5164 0.5166 0.5166 0.8047 0.8047 0.8049 0.8049 3.8272 3.8272 3.8274 3.8274 8.6442 8.6442 8.6444 8.6444 k = 0.1031 0.1441 0.2317 ( 3914 PWs) bands (ev): -15.7847 -15.7847 -15.7844 -15.7844 -11.4789 -11.4789 -11.4786 -11.4786 -4.1877 -4.1877 -4.1873 -4.1873 -1.9154 -1.9154 -1.9152 -1.9152 -1.4689 -1.4689 -1.4687 -1.4687 0.4934 0.4934 0.4936 0.4936 0.8112 0.8112 0.8114 0.8114 3.8212 3.8212 3.8213 3.8213 8.6080 8.6080 8.6082 8.6082 k = 0.0962 0.1345 0.2317 ( 3918 PWs) bands (ev): -15.7897 -15.7897 -15.7894 -15.7894 -11.4781 -11.4781 -11.4779 -11.4779 -4.1854 -4.1854 -4.1851 -4.1851 -1.8819 -1.8819 -1.8816 -1.8816 -1.4471 -1.4471 -1.4468 -1.4468 0.4704 0.4704 0.4706 0.4706 0.8175 0.8175 0.8177 0.8177 3.8147 3.8147 3.8148 3.8148 8.5754 8.5754 8.5756 8.5756 k = 0.0893 0.1249 0.2317 ( 3914 PWs) bands (ev): -15.7945 -15.7945 -15.7942 -15.7942 -11.4774 -11.4774 -11.4771 -11.4771 -4.1831 -4.1831 -4.1828 -4.1828 -1.8492 -1.8492 -1.8489 -1.8489 -1.4265 -1.4265 -1.4263 -1.4263 0.4476 0.4476 0.4478 0.4478 0.8235 0.8235 0.8237 0.8237 3.8078 3.8078 3.8079 3.8079 8.5463 8.5463 8.5465 8.5465 k = 0.0824 0.1153 0.2317 ( 3906 PWs) bands (ev): -15.7990 -15.7990 -15.7987 -15.7987 -11.4766 -11.4766 -11.4763 -11.4763 -4.1807 -4.1807 -4.1804 -4.1804 -1.8175 -1.8175 -1.8172 -1.8172 -1.4073 -1.4073 -1.4071 -1.4071 0.4252 0.4252 0.4254 0.4254 0.8292 0.8292 0.8294 0.8294 3.8007 3.8007 3.8008 3.8008 8.5205 8.5205 8.5206 8.5206 k = 0.0756 0.1057 0.2317 ( 3914 PWs) bands (ev): -15.8032 -15.8032 -15.8029 -15.8029 -11.4759 -11.4759 -11.4756 -11.4756 -4.1783 -4.1783 -4.1780 -4.1780 -1.7871 -1.7871 -1.7868 -1.7868 -1.3895 -1.3895 -1.3892 -1.3892 0.4034 0.4034 0.4037 0.4037 0.8346 0.8346 0.8348 0.8348 3.7934 3.7934 3.7935 3.7935 8.4978 8.4978 8.4979 8.4979 k = 0.0687 0.0961 0.2317 ( 3922 PWs) bands (ev): -15.8071 -15.8071 -15.8068 -15.8068 -11.4752 -11.4752 -11.4749 -11.4749 -4.1759 -4.1759 -4.1756 -4.1756 -1.7582 -1.7582 -1.7580 -1.7580 -1.3731 -1.3731 -1.3728 -1.3728 0.3825 0.3825 0.3828 0.3828 0.8397 0.8397 0.8398 0.8398 3.7862 3.7862 3.7863 3.7863 8.4780 8.4780 8.4781 8.4781 k = 0.0618 0.0865 0.2317 ( 3914 PWs) bands (ev): -15.8106 -15.8106 -15.8103 -15.8103 -11.4745 -11.4745 -11.4742 -11.4742 -4.1736 -4.1736 -4.1733 -4.1733 -1.7311 -1.7311 -1.7309 -1.7309 -1.3581 -1.3581 -1.3579 -1.3579 0.3627 0.3627 0.3629 0.3629 0.8443 0.8443 0.8445 0.8445 3.7792 3.7792 3.7793 3.7793 8.4608 8.4608 8.4610 8.4610 k = 0.0550 0.0768 0.2317 ( 3922 PWs) bands (ev): -15.8139 -15.8139 -15.8136 -15.8136 -11.4739 -11.4739 -11.4736 -11.4736 -4.1715 -4.1715 -4.1711 -4.1711 -1.7060 -1.7060 -1.7058 -1.7058 -1.3446 -1.3446 -1.3444 -1.3444 0.3441 0.3441 0.3444 0.3444 0.8486 0.8486 0.8487 0.8487 3.7725 3.7725 3.7726 3.7726 8.4462 8.4462 8.4464 8.4464 k = 0.0481 0.0672 0.2317 ( 3918 PWs) bands (ev): -15.8168 -15.8168 -15.8165 -15.8165 -11.4733 -11.4733 -11.4730 -11.4730 -4.1694 -4.1694 -4.1691 -4.1691 -1.6832 -1.6832 -1.6829 -1.6829 -1.3326 -1.3326 -1.3324 -1.3324 0.3271 0.3271 0.3273 0.3273 0.8524 0.8524 0.8525 0.8525 3.7662 3.7662 3.7663 3.7663 8.4339 8.4339 8.4341 8.4341 k = 0.0412 0.0576 0.2317 ( 3912 PWs) bands (ev): -15.8193 -15.8193 -15.8190 -15.8190 -11.4728 -11.4728 -11.4725 -11.4725 -4.1676 -4.1676 -4.1672 -4.1672 -1.6628 -1.6628 -1.6626 -1.6626 -1.3222 -1.3222 -1.3220 -1.3220 0.3118 0.3118 0.3121 0.3121 0.8557 0.8557 0.8559 0.8559 3.7605 3.7605 3.7606 3.7606 8.4237 8.4237 8.4238 8.4238 k = 0.0344 0.0480 0.2317 ( 3916 PWs) bands (ev): -15.8214 -15.8214 -15.8211 -15.8211 -11.4724 -11.4724 -11.4721 -11.4721 -4.1659 -4.1659 -4.1656 -4.1656 -1.6452 -1.6452 -1.6449 -1.6449 -1.3133 -1.3133 -1.3131 -1.3131 0.2985 0.2985 0.2987 0.2987 0.8585 0.8585 0.8587 0.8587 3.7554 3.7554 3.7555 3.7555 8.4154 8.4154 8.4155 8.4155 k = 0.0275 0.0384 0.2317 ( 3912 PWs) bands (ev): -15.8232 -15.8232 -15.8229 -15.8229 -11.4720 -11.4720 -11.4717 -11.4717 -4.1646 -4.1646 -4.1642 -4.1642 -1.6304 -1.6304 -1.6302 -1.6302 -1.3060 -1.3060 -1.3058 -1.3058 0.2873 0.2873 0.2875 0.2875 0.8609 0.8609 0.8611 0.8611 3.7512 3.7512 3.7513 3.7513 8.4088 8.4088 8.4090 8.4090 k = 0.0206 0.0288 0.2317 ( 3904 PWs) bands (ev): -15.8246 -15.8246 -15.8243 -15.8243 -11.4717 -11.4717 -11.4715 -11.4715 -4.1635 -4.1635 -4.1631 -4.1631 -1.6187 -1.6187 -1.6185 -1.6185 -1.3003 -1.3003 -1.3001 -1.3001 0.2783 0.2783 0.2786 0.2786 0.8628 0.8628 0.8629 0.8629 3.7477 3.7477 3.7478 3.7478 8.4039 8.4039 8.4040 8.4040 k = 0.0137 0.0192 0.2317 ( 3908 PWs) bands (ev): -15.8256 -15.8256 -15.8253 -15.8253 -11.4715 -11.4715 -11.4713 -11.4713 -4.1627 -4.1627 -4.1624 -4.1624 -1.6103 -1.6103 -1.6100 -1.6100 -1.2962 -1.2962 -1.2960 -1.2960 0.2719 0.2719 0.2721 0.2721 0.8641 0.8641 0.8643 0.8643 3.7453 3.7453 3.7453 3.7453 8.4004 8.4004 8.4006 8.4006 k = 0.0069 0.0096 0.2317 ( 3904 PWs) bands (ev): -15.8262 -15.8262 -15.8259 -15.8259 -11.4714 -11.4714 -11.4711 -11.4711 -4.1622 -4.1622 -4.1619 -4.1619 -1.6052 -1.6052 -1.6049 -1.6049 -1.2938 -1.2938 -1.2936 -1.2936 0.2679 0.2679 0.2682 0.2682 0.8649 0.8649 0.8651 0.8651 3.7437 3.7437 3.7438 3.7438 8.3984 8.3984 8.3985 8.3985 k = 0.0000 0.0000 0.2317 ( 3906 PWs) bands (ev): -15.8264 -15.8264 -15.8261 -15.8261 -11.4714 -11.4714 -11.4711 -11.4711 -4.1620 -4.1620 -4.1617 -4.1617 -1.6035 -1.6035 -1.6032 -1.6032 -1.2930 -1.2930 -1.2927 -1.2927 0.2666 0.2666 0.2669 0.2669 0.8652 0.8652 0.8653 0.8653 3.7432 3.7432 3.7433 3.7433 8.3977 8.3977 8.3979 8.3979 k = 0.0000 0.0000 0.2317 ( 3906 PWs) bands (ev): -15.8264 -15.8264 -15.8261 -15.8261 -11.4714 -11.4714 -11.4711 -11.4711 -4.1620 -4.1620 -4.1617 -4.1617 -1.6035 -1.6035 -1.6032 -1.6032 -1.2930 -1.2930 -1.2927 -1.2927 0.2666 0.2666 0.2669 0.2669 0.8652 0.8652 0.8653 0.8653 3.7432 3.7432 3.7433 3.7433 8.3977 8.3977 8.3979 8.3979 k = 0.0000 0.0000 0.2201 ( 3908 PWs) bands (ev): -15.8352 -15.8352 -15.8171 -15.8171 -11.4972 -11.4972 -11.4452 -11.4452 -4.1998 -4.1998 -4.1235 -4.1235 -1.6054 -1.6054 -1.6029 -1.6029 -1.2934 -1.2934 -1.2923 -1.2923 0.2506 0.2506 0.2842 0.2842 0.8612 0.8612 0.8693 0.8693 3.7173 3.7173 3.7703 3.7703 8.3793 8.3793 8.4123 8.4123 k = 0.0000 0.0000 0.2085 ( 3912 PWs) bands (ev): -15.8441 -15.8441 -15.8080 -15.8080 -11.5229 -11.5229 -11.4193 -11.4193 -4.2370 -4.2370 -4.0848 -4.0848 -1.6089 -1.6089 -1.6041 -1.6041 -1.2940 -1.2940 -1.2918 -1.2918 0.2359 0.2359 0.3028 0.3028 0.8573 0.8573 0.8733 0.8733 3.6926 3.6926 3.7981 3.7981 8.3572 8.3572 8.4227 8.4227 k = 0.0000 0.0000 0.1969 ( 3920 PWs) bands (ev): -15.8529 -15.8529 -15.7989 -15.7989 -11.5483 -11.5483 -11.3936 -11.3936 -4.2734 -4.2734 -4.0460 -4.0460 -1.6138 -1.6138 -1.6070 -1.6070 -1.2947 -1.2947 -1.2913 -1.2913 0.2228 0.2228 0.3223 0.3223 0.8534 0.8534 0.8773 0.8773 3.6692 3.6692 3.8267 3.8267 8.3320 8.3320 8.4288 8.4288 k = 0.0000 0.0000 0.1853 ( 3918 PWs) bands (ev): -15.8614 -15.8614 -15.7899 -15.7899 -11.5731 -11.5731 -11.3684 -11.3684 -4.3088 -4.3088 -4.0073 -4.0073 -1.6198 -1.6198 -1.6117 -1.6117 -1.2953 -1.2953 -1.2908 -1.2908 0.2113 0.2113 0.3425 0.3425 0.8496 0.8496 0.8812 0.8812 3.6471 3.6471 3.8558 3.8558 8.3040 8.3040 8.4305 8.4305 k = 0.0000 0.0000 0.1737 ( 3908 PWs) bands (ev): -15.8696 -15.8696 -15.7811 -15.7811 -11.5973 -11.5973 -11.3437 -11.3437 -4.3429 -4.3429 -3.9689 -3.9689 -1.6268 -1.6268 -1.6180 -1.6180 -1.2959 -1.2959 -1.2904 -1.2904 0.2015 0.2015 0.3632 0.3632 0.8459 0.8459 0.8851 0.8851 3.6265 3.6265 3.8853 3.8853 8.2738 8.2738 8.4281 8.4281 k = 0.0000 0.0000 0.1622 ( 3901 PWs) bands (ev): -15.8775 -15.8775 -15.7725 -15.7725 -11.6206 -11.6206 -11.3197 -11.3197 -4.3757 -4.3757 -3.9311 -3.9311 -1.6346 -1.6346 -1.6258 -1.6258 -1.2966 -1.2966 -1.2900 -1.2900 0.1933 0.1933 0.3840 0.3840 0.8423 0.8423 0.8888 0.8888 3.6074 3.6074 3.9148 3.9148 8.2420 8.2420 8.4218 8.4218 k = 0.0000 0.0000 0.1506 ( 3897 PWs) bands (ev): -15.8850 -15.8850 -15.7642 -15.7642 -11.6430 -11.6430 -11.2965 -11.2965 -4.4071 -4.4071 -3.8940 -3.8940 -1.6432 -1.6432 -1.6348 -1.6348 -1.2972 -1.2972 -1.2897 -1.2897 0.1867 0.1867 0.4048 0.4048 0.8389 0.8389 0.8924 0.8924 3.5898 3.5898 3.9440 3.9440 8.2092 8.2092 8.4120 8.4120 k = 0.0000 0.0000 0.1390 ( 3913 PWs) bands (ev): -15.8922 -15.8922 -15.7562 -15.7562 -11.6643 -11.6643 -11.2745 -11.2745 -4.4367 -4.4367 -3.8581 -3.8581 -1.6525 -1.6525 -1.6446 -1.6446 -1.2978 -1.2978 -1.2893 -1.2893 0.1815 0.1815 0.4252 0.4252 0.8357 0.8357 0.8959 0.8959 3.5738 3.5738 3.9729 3.9729 8.1759 8.1759 8.3992 8.3992 k = 0.0000 0.0000 0.1274 ( 3909 PWs) bands (ev): -15.8989 -15.8989 -15.7486 -15.7486 -11.6844 -11.6844 -11.2535 -11.2535 -4.4646 -4.4646 -3.8234 -3.8234 -1.6628 -1.6628 -1.6546 -1.6546 -1.2984 -1.2984 -1.2890 -1.2890 0.1777 0.1777 0.4450 0.4450 0.8326 0.8326 0.8992 0.8992 3.5593 3.5593 4.0010 4.0010 8.1426 8.1426 8.3840 8.3840 k = 0.0000 0.0000 0.1158 ( 3905 PWs) bands (ev): -15.9051 -15.9051 -15.7414 -15.7414 -11.7032 -11.7032 -11.2339 -11.2339 -4.4905 -4.4905 -3.7904 -3.7904 -1.6742 -1.6742 -1.6641 -1.6641 -1.2989 -1.2989 -1.2887 -1.2887 0.1751 0.1751 0.4640 0.4640 0.8298 0.8298 0.9023 0.9023 3.5464 3.5464 4.0280 4.0280 8.1100 8.1100 8.3671 8.3671 k = 0.0000 0.0000 0.1042 ( 3899 PWs) bands (ev): -15.9108 -15.9108 -15.7347 -15.7347 -11.7206 -11.7206 -11.2157 -11.2157 -4.5144 -4.5144 -3.7592 -3.7592 -1.6865 -1.6865 -1.6729 -1.6729 -1.2994 -1.2994 -1.2884 -1.2884 0.1734 0.1734 0.4820 0.4820 0.8272 0.8272 0.9052 0.9052 3.5349 3.5349 4.0537 4.0537 8.0786 8.0786 8.3491 8.3491 k = 0.0000 0.0000 0.0927 ( 3913 PWs) bands (ev): -15.9160 -15.9160 -15.7286 -15.7286 -11.7364 -11.7364 -11.1990 -11.1990 -4.5362 -4.5362 -3.7302 -3.7302 -1.6991 -1.6991 -1.6810 -1.6810 -1.2999 -1.2999 -1.2882 -1.2882 0.1726 0.1726 0.4986 0.4986 0.8249 0.8249 0.9079 0.9079 3.5248 3.5248 4.0777 4.0777 8.0488 8.0488 8.3308 8.3308 k = 0.0000 0.0000 0.0811 ( 3909 PWs) bands (ev): -15.9207 -15.9207 -15.7231 -15.7231 -11.7506 -11.7506 -11.1841 -11.1841 -4.5556 -4.5556 -3.7037 -3.7037 -1.7114 -1.7114 -1.6884 -1.6884 -1.3003 -1.3003 -1.2879 -1.2879 0.1724 0.1724 0.5138 0.5138 0.8228 0.8228 0.9103 0.9103 3.5161 3.5161 4.0998 4.0998 8.0213 8.0213 8.3127 8.3127 k = 0.0000 0.0000 0.0695 ( 3921 PWs) bands (ev): -15.9248 -15.9248 -15.7182 -15.7182 -11.7631 -11.7631 -11.1709 -11.1709 -4.5726 -4.5726 -3.6800 -3.6800 -1.7231 -1.7231 -1.6950 -1.6950 -1.3007 -1.3007 -1.2877 -1.2877 0.1726 0.1726 0.5273 0.5273 0.8209 0.8209 0.9124 0.9124 3.5088 3.5088 4.1196 4.1196 7.9964 7.9964 8.2957 8.2957 k = 0.0000 0.0000 0.0579 ( 3925 PWs) bands (ev): -15.9282 -15.9282 -15.7140 -15.7140 -11.7738 -11.7738 -11.1595 -11.1595 -4.5872 -4.5872 -3.6594 -3.6594 -1.7338 -1.7338 -1.7008 -1.7008 -1.3010 -1.3010 -1.2875 -1.2875 0.1731 0.1731 0.5390 0.5390 0.8193 0.8193 0.9142 0.9142 3.5027 3.5027 4.1369 4.1369 7.9746 7.9746 8.2802 8.2802 k = 0.0000 0.0000 0.0463 ( 3931 PWs) bands (ev): -15.9311 -15.9311 -15.7105 -15.7105 -11.7826 -11.7826 -11.1502 -11.1502 -4.5993 -4.5993 -3.6421 -3.6421 -1.7431 -1.7431 -1.7056 -1.7056 -1.3013 -1.3013 -1.2874 -1.2874 0.1738 0.1738 0.5487 0.5487 0.8181 0.8181 0.9157 0.9157 3.4978 3.4978 4.1514 4.1514 7.9562 7.9562 8.2668 8.2668 k = 0.0000 0.0000 0.0347 ( 3927 PWs) bands (ev): -15.9334 -15.9334 -15.7078 -15.7078 -11.7895 -11.7895 -11.1428 -11.1428 -4.6087 -4.6087 -3.6283 -3.6283 -1.7507 -1.7507 -1.7094 -1.7094 -1.3015 -1.3015 -1.2873 -1.2873 0.1744 0.1744 0.5564 0.5564 0.8171 0.8171 0.9169 0.9169 3.4940 3.4940 4.1630 4.1630 7.9416 7.9416 8.2559 8.2559 k = 0.0000 0.0000 0.0232 ( 3931 PWs) bands (ev): -15.9350 -15.9350 -15.7058 -15.7058 -11.7945 -11.7945 -11.1375 -11.1375 -4.6155 -4.6155 -3.6183 -3.6183 -1.7563 -1.7563 -1.7122 -1.7122 -1.3016 -1.3016 -1.2872 -1.2872 0.1749 0.1749 0.5620 0.5620 0.8163 0.8163 0.9178 0.9178 3.4914 3.4914 4.1713 4.1713 7.9310 7.9310 8.2478 8.2478 k = 0.0000 0.0000 0.0116 ( 3941 PWs) bands (ev): -15.9359 -15.9359 -15.7046 -15.7046 -11.7975 -11.7975 -11.1343 -11.1343 -4.6196 -4.6196 -3.6123 -3.6123 -1.7598 -1.7598 -1.7139 -1.7139 -1.3017 -1.3017 -1.2872 -1.2872 0.1753 0.1753 0.5653 0.5653 0.8159 0.8159 0.9183 0.9183 3.4898 3.4898 4.1764 4.1764 7.9245 7.9245 8.2429 8.2429 k = 0.0000 0.0000 0.0000 ( 3941 PWs) bands (ev): -15.9363 -15.9363 -15.7042 -15.7042 -11.7985 -11.7985 -11.1332 -11.1332 -4.6209 -4.6209 -3.6103 -3.6103 -1.7609 -1.7609 -1.7145 -1.7145 -1.3018 -1.3018 -1.2871 -1.2871 0.1754 0.1754 0.5664 0.5664 0.8158 0.8158 0.9185 0.9185 3.4893 3.4893 4.1781 4.1781 7.9223 7.9223 8.2413 8.2413 k = 0.0000 0.0000 0.0000 ( 3941 PWs) bands (ev): -15.9363 -15.9363 -15.7042 -15.7042 -11.7985 -11.7985 -11.1332 -11.1332 -4.6209 -4.6209 -3.6103 -3.6103 -1.7609 -1.7609 -1.7145 -1.7145 -1.3018 -1.3018 -1.2871 -1.2871 0.1754 0.1754 0.5664 0.5664 0.8158 0.8158 0.9185 0.9185 3.4893 3.4893 4.1781 4.1781 7.9223 7.9223 8.2413 8.2413 k =-0.0096 0.0069 0.0000 ( 3931 PWs) bands (ev): -15.9360 -15.9360 -15.7041 -15.7041 -11.7983 -11.7983 -11.1332 -11.1332 -4.6208 -4.6208 -3.6105 -3.6105 -1.7614 -1.7614 -1.7150 -1.7150 -1.3035 -1.3035 -1.2892 -1.2892 0.1758 0.1758 0.5666 0.5666 0.8158 0.8158 0.9176 0.9176 3.4896 3.4896 4.1778 4.1778 7.9255 7.9255 8.2433 8.2433 k =-0.0192 0.0138 0.0000 ( 3939 PWs) bands (ev): -15.9353 -15.9353 -15.7035 -15.7035 -11.7977 -11.7977 -11.1333 -11.1333 -4.6203 -4.6203 -3.6111 -3.6111 -1.7628 -1.7628 -1.7165 -1.7165 -1.3088 -1.3088 -1.2953 -1.2953 0.1769 0.1769 0.5669 0.5669 0.8161 0.8161 0.9151 0.9151 3.4904 3.4904 4.1768 4.1768 7.9348 7.9348 8.2494 8.2494 k =-0.0288 0.0206 0.0000 ( 3937 PWs) bands (ev): -15.9341 -15.9341 -15.7027 -15.7027 -11.7967 -11.7967 -11.1333 -11.1333 -4.6195 -4.6195 -3.6121 -3.6121 -1.7650 -1.7650 -1.7191 -1.7191 -1.3176 -1.3176 -1.3056 -1.3056 0.1786 0.1786 0.5676 0.5676 0.8165 0.8165 0.9109 0.9109 3.4918 3.4918 4.1752 4.1752 7.9503 7.9503 8.2595 8.2595 k =-0.0385 0.0275 0.0000 ( 3937 PWs) bands (ev): -15.9325 -15.9325 -15.7014 -15.7014 -11.7953 -11.7953 -11.1334 -11.1334 -4.6184 -4.6184 -3.6135 -3.6135 -1.7682 -1.7682 -1.7227 -1.7227 -1.3296 -1.3296 -1.3197 -1.3197 0.1810 0.1810 0.5684 0.5684 0.8170 0.8170 0.9051 0.9051 3.4938 3.4938 4.1730 4.1730 7.9719 7.9719 8.2736 8.2736 k =-0.0481 0.0344 0.0000 ( 3941 PWs) bands (ev): -15.9304 -15.9304 -15.6999 -15.6999 -11.7934 -11.7934 -11.1335 -11.1335 -4.6170 -4.6170 -3.6154 -3.6154 -1.7722 -1.7722 -1.7273 -1.7273 -1.3449 -1.3449 -1.3377 -1.3377 0.1839 0.1839 0.5694 0.5694 0.8177 0.8177 0.8976 0.8976 3.4962 3.4962 4.1701 4.1701 7.9996 7.9996 8.2917 8.2917 k =-0.0577 0.0413 0.0000 ( 3945 PWs) bands (ev): -15.9279 -15.9279 -15.6979 -15.6979 -11.7912 -11.7912 -11.1336 -11.1336 -4.6153 -4.6153 -3.6176 -3.6176 -1.7771 -1.7771 -1.7328 -1.7328 -1.3632 -1.3632 -1.3595 -1.3595 0.1871 0.1871 0.5705 0.5705 0.8185 0.8185 0.8884 0.8884 3.4992 3.4992 4.1667 4.1667 8.0332 8.0332 8.3138 8.3138 k =-0.0673 0.0481 0.0000 ( 3941 PWs) bands (ev): -15.9249 -15.9249 -15.6957 -15.6957 -11.7886 -11.7886 -11.1338 -11.1338 -4.6133 -4.6133 -3.6202 -3.6202 -1.7828 -1.7828 -1.7393 -1.7393 -1.3848 -1.3848 -1.3843 -1.3843 0.1905 0.1905 0.5717 0.5717 0.8195 0.8195 0.8777 0.8777 3.5025 3.5025 4.1626 4.1626 8.0725 8.0725 8.3398 8.3398 k =-0.0769 0.0550 0.0000 ( 3933 PWs) bands (ev): -15.9214 -15.9214 -15.6931 -15.6931 -11.7857 -11.7857 -11.1339 -11.1339 -4.6110 -4.6110 -3.6231 -3.6231 -1.7892 -1.7892 -1.7467 -1.7467 -1.4134 -1.4134 -1.4080 -1.4080 0.1940 0.1940 0.5729 0.5729 0.8205 0.8205 0.8653 0.8653 3.5063 3.5063 4.1580 4.1580 8.1175 8.1175 8.3697 8.3697 k =-0.0865 0.0619 0.0000 ( 3927 PWs) bands (ev): -15.9176 -15.9176 -15.6902 -15.6902 -11.7823 -11.7823 -11.1341 -11.1341 -4.6084 -4.6084 -3.6264 -3.6264 -1.7964 -1.7964 -1.7550 -1.7550 -1.4452 -1.4452 -1.4341 -1.4341 0.1974 0.1974 0.5741 0.5741 0.8217 0.8217 0.8514 0.8514 3.5105 3.5105 4.1528 4.1528 8.1679 8.1679 8.4034 8.4034 k =-0.0962 0.0688 0.0000 ( 3929 PWs) bands (ev): -15.9133 -15.9133 -15.6870 -15.6870 -11.7786 -11.7786 -11.1343 -11.1343 -4.6055 -4.6055 -3.6301 -3.6301 -1.8042 -1.8042 -1.7642 -1.7642 -1.4799 -1.4799 -1.4624 -1.4624 0.2005 0.2005 0.5752 0.5752 0.8228 0.8228 0.8360 0.8360 3.5149 3.5149 4.1471 4.1471 8.2236 8.2236 8.4408 8.4408 k =-0.1058 0.0757 0.0000 ( 3921 PWs) bands (ev): -15.9087 -15.9087 -15.6836 -15.6836 -11.7746 -11.7746 -11.1345 -11.1345 -4.6023 -4.6023 -3.6341 -3.6341 -1.8126 -1.8126 -1.7741 -1.7741 -1.5172 -1.5172 -1.4925 -1.4925 0.2032 0.2032 0.5761 0.5761 0.8182 0.8182 0.8250 0.8250 3.5196 3.5196 4.1408 4.1408 8.2842 8.2842 8.4818 8.4818 k =-0.1154 0.0825 0.0000 ( 3903 PWs) bands (ev): -15.9036 -15.9036 -15.6798 -15.6798 -11.7702 -11.7702 -11.1348 -11.1348 -4.5988 -4.5988 -3.6384 -3.6384 -1.8216 -1.8216 -1.7848 -1.7848 -1.5570 -1.5570 -1.5243 -1.5243 0.2055 0.2055 0.5768 0.5768 0.8002 0.8002 0.8260 0.8260 3.5246 3.5246 4.1341 4.1341 8.3495 8.3495 8.5262 8.5262 k =-0.1250 0.0894 0.0000 ( 3895 PWs) bands (ev): -15.8982 -15.8982 -15.6757 -15.6757 -11.7656 -11.7656 -11.1350 -11.1350 -4.5950 -4.5950 -3.6430 -3.6430 -1.8313 -1.8313 -1.7964 -1.7964 -1.5989 -1.5989 -1.5574 -1.5574 0.2071 0.2071 0.5773 0.5773 0.7804 0.7804 0.8274 0.8274 3.5296 3.5296 4.1269 4.1269 8.4192 8.4192 8.5740 8.5740 k =-0.1346 0.0963 0.0000 ( 3891 PWs) bands (ev): -15.8924 -15.8924 -15.6714 -15.6714 -11.7606 -11.7606 -11.1353 -11.1353 -4.5910 -4.5910 -3.6479 -3.6479 -1.8414 -1.8414 -1.8088 -1.8088 -1.6426 -1.6426 -1.5918 -1.5918 0.2080 0.2080 0.5774 0.5774 0.7594 0.7594 0.8290 0.8290 3.5348 3.5348 4.1193 4.1193 8.4929 8.4929 8.6248 8.6248 k =-0.1442 0.1032 0.0000 ( 3887 PWs) bands (ev): -15.8863 -15.8863 -15.6669 -15.6669 -11.7553 -11.7553 -11.1356 -11.1356 -4.5867 -4.5867 -3.6530 -3.6530 -1.8522 -1.8522 -1.8221 -1.8221 -1.6875 -1.6875 -1.6270 -1.6270 0.2080 0.2080 0.5770 0.5770 0.7372 0.7372 0.8305 0.8305 3.5399 3.5399 4.1113 4.1113 8.5704 8.5704 8.6785 8.6785 k =-0.1538 0.1100 0.0000 ( 3883 PWs) bands (ev): -15.8799 -15.8799 -15.6621 -15.6621 -11.7498 -11.7498 -11.1359 -11.1359 -4.5821 -4.5821 -3.6584 -3.6584 -1.8639 -1.8639 -1.8367 -1.8367 -1.7330 -1.7330 -1.6629 -1.6629 0.2072 0.2072 0.5759 0.5759 0.7142 0.7142 0.8322 0.8322 3.5451 3.5451 4.1029 4.1029 8.6512 8.6512 8.7347 8.7347 k =-0.1635 0.1169 0.0000 ( 3881 PWs) bands (ev): -15.8733 -15.8733 -15.6571 -15.6571 -11.7441 -11.7441 -11.1363 -11.1363 -4.5773 -4.5773 -3.6640 -3.6640 -1.8771 -1.8771 -1.8533 -1.8533 -1.7772 -1.7772 -1.6992 -1.6992 0.2055 0.2055 0.5738 0.5738 0.6906 0.6906 0.8338 0.8338 3.5501 3.5501 4.0942 4.0942 8.7348 8.7348 8.7931 8.7931 k =-0.1731 0.1238 0.0000 ( 3881 PWs) bands (ev): -15.8663 -15.8663 -15.6519 -15.6519 -11.7381 -11.7381 -11.1366 -11.1366 -4.5722 -4.5722 -3.6698 -3.6698 -1.8946 -1.8946 -1.8726 -1.8726 -1.8166 -1.8166 -1.7354 -1.7354 0.2028 0.2028 0.5701 0.5701 0.6673 0.6673 0.8355 0.8355 3.5550 3.5550 4.0852 4.0852 8.8206 8.8206 8.8533 8.8533 k =-0.1827 0.1307 0.0000 ( 3881 PWs) bands (ev): -15.8591 -15.8591 -15.6466 -15.6466 -11.7319 -11.7319 -11.1370 -11.1370 -4.5668 -4.5668 -3.6758 -3.6758 -1.9240 -1.9240 -1.8918 -1.8918 -1.8464 -1.8464 -1.7712 -1.7712 0.1992 0.1992 0.5635 0.5635 0.6455 0.6455 0.8371 0.8371 3.5598 3.5598 4.0759 4.0759 8.9078 8.9078 8.9151 8.9151 k =-0.1923 0.1375 0.0000 ( 3885 PWs) bands (ev): -15.8517 -15.8517 -15.6411 -15.6411 -11.7255 -11.7255 -11.1374 -11.1374 -4.5613 -4.5613 -3.6819 -3.6819 -1.9663 -1.9663 -1.9092 -1.9092 -1.8673 -1.8673 -1.8059 -1.8059 0.1946 0.1946 0.5523 0.5523 0.6271 0.6271 0.8388 0.8388 3.5643 3.5643 4.0664 4.0664 8.9765 8.9765 8.9972 8.9972 k =-0.2019 0.1444 0.0000 ( 3893 PWs) bands (ev): -15.8441 -15.8441 -15.6354 -15.6354 -11.7190 -11.7190 -11.1377 -11.1377 -4.5554 -4.5554 -3.6881 -3.6881 -2.0150 -2.0150 -1.9275 -1.9275 -1.8836 -1.8836 -1.8386 -1.8386 0.1891 0.1891 0.5347 0.5347 0.6139 0.6139 0.8405 0.8405 3.5685 3.5685 4.0567 4.0567 9.0386 9.0386 9.0860 9.0860 k =-0.2115 0.1513 0.0000 ( 3889 PWs) bands (ev): -15.8363 -15.8363 -15.6297 -15.6297 -11.7124 -11.7124 -11.1381 -11.1381 -4.5494 -4.5494 -3.6945 -3.6945 -2.0665 -2.0665 -1.9490 -1.9490 -1.8976 -1.8976 -1.8681 -1.8681 0.1826 0.1826 0.5114 0.5114 0.6055 0.6055 0.8422 0.8422 3.5724 3.5724 4.0468 4.0468 9.0998 9.0998 9.1743 9.1743 k =-0.2212 0.1582 0.0000 ( 3897 PWs) bands (ev): -15.8284 -15.8284 -15.6238 -15.6238 -11.7056 -11.7056 -11.1385 -11.1385 -4.5431 -4.5431 -3.7009 -3.7009 -2.1192 -2.1192 -1.9746 -1.9746 -1.9101 -1.9101 -1.8935 -1.8935 0.1753 0.1753 0.4839 0.4839 0.6002 0.6002 0.8439 0.8439 3.5760 3.5760 4.0369 4.0369 9.1593 9.1593 9.2611 9.2611 k =-0.2308 0.1651 0.0000 ( 3895 PWs) bands (ev): -15.8204 -15.8204 -15.6179 -15.6179 -11.6987 -11.6987 -11.1390 -11.1390 -4.5366 -4.5366 -3.7074 -3.7074 -2.1726 -2.1726 -2.0040 -2.0040 -1.9217 -1.9217 -1.9148 -1.9148 0.1672 0.1672 0.4540 0.4540 0.5966 0.5966 0.8456 0.8456 3.5793 3.5793 4.0268 4.0268 9.2161 9.2161 9.3451 9.3451 k =-0.2404 0.1719 0.0000 ( 3895 PWs) bands (ev): -15.8123 -15.8123 -15.6119 -15.6119 -11.6918 -11.6918 -11.1394 -11.1394 -4.5300 -4.5300 -3.7139 -3.7139 -2.2263 -2.2263 -2.0360 -2.0360 -1.9354 -1.9354 -1.9303 -1.9303 0.1582 0.1582 0.4225 0.4225 0.5940 0.5940 0.8473 0.8473 3.5821 3.5821 4.0168 4.0168 9.2690 9.2690 9.4252 9.4252 k =-0.2500 0.1788 0.0000 ( 3891 PWs) bands (ev): -15.8042 -15.8042 -15.6058 -15.6058 -11.6848 -11.6848 -11.1398 -11.1398 -4.5231 -4.5231 -3.7204 -3.7204 -2.2799 -2.2799 -2.0693 -2.0693 -1.9518 -1.9518 -1.9405 -1.9405 0.1486 0.1486 0.3900 0.3900 0.5919 0.5919 0.8490 0.8490 3.5846 3.5846 4.0067 4.0067 9.3170 9.3170 9.5000 9.5000 k =-0.2596 0.1857 0.0000 ( 3881 PWs) bands (ev): -15.7960 -15.7960 -15.5998 -15.5998 -11.6779 -11.6779 -11.1402 -11.1402 -4.5160 -4.5160 -3.7268 -3.7268 -2.3333 -2.3333 -2.1033 -2.1033 -1.9675 -1.9675 -1.9494 -1.9494 0.1383 0.1383 0.3567 0.3567 0.5902 0.5902 0.8507 0.8507 3.5867 3.5867 3.9966 3.9966 9.3592 9.3592 9.5682 9.5682 k =-0.2692 0.1926 0.0000 ( 3892 PWs) bands (ev): -15.7879 -15.7879 -15.5938 -15.5938 -11.6709 -11.6709 -11.1407 -11.1407 -4.5088 -4.5088 -3.7333 -3.7333 -2.3863 -2.3863 -2.1372 -2.1372 -1.9825 -1.9825 -1.9576 -1.9576 0.1274 0.1274 0.3230 0.3230 0.5887 0.5887 0.8523 0.8523 3.5884 3.5884 3.9867 3.9867 9.3945 9.3945 9.6283 9.6283 k =-0.2788 0.1994 0.0000 ( 3904 PWs) bands (ev): -15.7797 -15.7797 -15.5878 -15.5878 -11.6640 -11.6640 -11.1411 -11.1411 -4.5014 -4.5014 -3.7397 -3.7397 -2.4386 -2.4386 -2.1708 -2.1708 -1.9969 -1.9969 -1.9651 -1.9651 0.1160 0.1160 0.2891 0.2891 0.5874 0.5874 0.8540 0.8540 3.5898 3.5898 3.9768 3.9768 9.4225 9.4225 9.6791 9.6791 k =-0.2885 0.2063 0.0000 ( 3906 PWs) bands (ev): -15.7717 -15.7717 -15.5818 -15.5818 -11.6571 -11.6571 -11.1416 -11.1416 -4.4938 -4.4938 -3.7460 -3.7460 -2.4902 -2.4902 -2.2037 -2.2037 -2.0107 -2.0107 -1.9720 -1.9720 0.1040 0.1040 0.2553 0.2553 0.5862 0.5862 0.8556 0.8556 3.5908 3.5908 3.9670 3.9670 9.4430 9.4430 9.7198 9.7198 k =-0.2981 0.2132 0.0000 ( 3910 PWs) bands (ev): -15.7637 -15.7637 -15.5760 -15.5760 -11.6504 -11.6504 -11.1420 -11.1420 -4.4861 -4.4861 -3.7521 -3.7521 -2.5408 -2.5408 -2.2359 -2.2359 -2.0240 -2.0240 -1.9783 -1.9783 0.0917 0.0917 0.2217 0.2217 0.5851 0.5851 0.8573 0.8573 3.5914 3.5914 3.9575 3.9575 9.4562 9.4562 9.7420 9.7420 k =-0.3077 0.2201 0.0000 ( 3912 PWs) bands (ev): -15.7559 -15.7559 -15.5702 -15.5702 -11.6437 -11.6437 -11.1424 -11.1424 -4.4784 -4.4784 -3.7582 -3.7582 -2.5904 -2.5904 -2.2672 -2.2672 -2.0369 -2.0369 -1.9840 -1.9840 0.0788 0.0788 0.1885 0.1885 0.5842 0.5842 0.8589 0.8589 3.5917 3.5917 3.9481 3.9481 9.4624 9.4624 9.7290 9.7290 k =-0.3173 0.2270 0.0000 ( 3918 PWs) bands (ev): -15.7482 -15.7482 -15.5645 -15.5645 -11.6372 -11.6372 -11.1428 -11.1428 -4.4705 -4.4705 -3.7640 -3.7640 -2.6387 -2.6387 -2.2974 -2.2974 -2.0492 -2.0492 -1.9891 -1.9891 0.0654 0.0654 0.1563 0.1563 0.5833 0.5833 0.8605 0.8605 3.5917 3.5917 3.9390 3.9390 9.4626 9.4626 9.7138 9.7138 k =-0.3269 0.2338 0.0000 ( 3914 PWs) bands (ev): -15.7407 -15.7407 -15.5590 -15.5590 -11.6309 -11.6309 -11.1432 -11.1432 -4.4625 -4.4625 -3.7697 -3.7697 -2.6857 -2.6857 -2.3266 -2.3266 -2.0611 -2.0611 -1.9936 -1.9936 0.0512 0.0512 0.1253 0.1253 0.5826 0.5826 0.8621 0.8621 3.5915 3.5915 3.9302 3.9302 9.4577 9.4577 9.6970 9.6970 k =-0.3365 0.2407 0.0000 ( 3910 PWs) bands (ev): -15.7334 -15.7334 -15.5537 -15.5537 -11.6247 -11.6247 -11.1436 -11.1436 -4.4545 -4.4545 -3.7753 -3.7753 -2.7313 -2.7313 -2.3545 -2.3545 -2.0725 -2.0725 -1.9976 -1.9976 0.0357 0.0357 0.0964 0.0964 0.5819 0.5819 0.8637 0.8637 3.5910 3.5910 3.9217 3.9217 9.4485 9.4485 9.6790 9.6790 k =-0.3462 0.2476 0.0000 ( 3906 PWs) bands (ev): -15.7264 -15.7264 -15.5485 -15.5485 -11.6188 -11.6188 -11.1440 -11.1440 -4.4466 -4.4466 -3.7805 -3.7805 -2.7752 -2.7752 -2.3812 -2.3812 -2.0833 -2.0833 -2.0010 -2.0010 0.0180 0.0180 0.0707 0.0707 0.5814 0.5814 0.8652 0.8652 3.5903 3.5903 3.9135 3.9135 9.4361 9.4361 9.6601 9.6601 k =-0.3558 0.2545 0.0000 ( 3906 PWs) bands (ev): -15.7196 -15.7196 -15.5436 -15.5436 -11.6130 -11.6130 -11.1444 -11.1444 -4.4386 -4.4386 -3.7856 -3.7856 -2.8173 -2.8173 -2.4066 -2.4066 -2.0936 -2.0936 -2.0039 -2.0039 -0.0026 -0.0026 0.0491 0.0491 0.5809 0.5809 0.8667 0.8667 3.5894 3.5894 3.9056 3.9056 9.4213 9.4213 9.6406 9.6406 k =-0.3654 0.2613 0.0000 ( 3910 PWs) bands (ev): -15.7132 -15.7132 -15.5388 -15.5388 -11.6076 -11.6076 -11.1448 -11.1448 -4.4308 -4.4308 -3.7904 -3.7904 -2.8576 -2.8576 -2.4306 -2.4306 -2.1033 -2.1033 -2.0063 -2.0063 -0.0257 -0.0257 0.0316 0.0316 0.5805 0.5805 0.8681 0.8681 3.5883 3.5883 3.8981 3.8981 9.4049 9.4049 9.6208 9.6208 k =-0.3750 0.2682 0.0000 ( 3914 PWs) bands (ev): -15.7070 -15.7070 -15.5343 -15.5343 -11.6024 -11.6024 -11.1451 -11.1451 -4.4230 -4.4230 -3.7950 -3.7950 -2.8959 -2.8959 -2.4531 -2.4531 -2.1124 -2.1124 -2.0083 -2.0083 -0.0502 -0.0502 0.0170 0.0170 0.5802 0.5802 0.8695 0.8695 3.5872 3.5872 3.8911 3.8911 9.3876 9.3876 9.6009 9.6009 k =-0.3846 0.2751 0.0000 ( 3912 PWs) bands (ev): -15.7012 -15.7012 -15.5301 -15.5301 -11.5975 -11.5975 -11.1454 -11.1454 -4.4154 -4.4154 -3.7992 -3.7992 -2.9321 -2.9321 -2.4742 -2.4742 -2.1210 -2.1210 -2.0099 -2.0099 -0.0749 -0.0749 0.0044 0.0044 0.5799 0.5799 0.8709 0.8709 3.5860 3.5860 3.8844 3.8844 9.3699 9.3699 9.5813 9.5813 k =-0.3942 0.2820 0.0000 ( 3914 PWs) bands (ev): -15.6958 -15.6958 -15.5261 -15.5261 -11.5929 -11.5929 -11.1457 -11.1457 -4.4081 -4.4081 -3.8032 -3.8032 -2.9660 -2.9660 -2.4937 -2.4937 -2.1289 -2.1289 -2.0111 -2.0111 -0.0988 -0.0988 -0.0067 -0.0067 0.5798 0.5798 0.8721 0.8721 3.5848 3.5848 3.8783 3.8783 9.3523 9.3523 9.5622 9.5622 k =-0.4038 0.2888 0.0000 ( 3898 PWs) bands (ev): -15.6908 -15.6908 -15.5225 -15.5225 -11.5887 -11.5887 -11.1460 -11.1460 -4.4011 -4.4011 -3.8069 -3.8069 -2.9975 -2.9975 -2.5116 -2.5116 -2.1361 -2.1361 -2.0119 -2.0119 -0.1215 -0.1215 -0.0167 -0.0167 0.5796 0.5796 0.8733 0.8733 3.5835 3.5835 3.8725 3.8725 9.3353 9.3353 9.5439 9.5439 k =-0.4135 0.2957 0.0000 ( 3900 PWs) bands (ev): -15.6862 -15.6862 -15.5191 -15.5191 -11.5848 -11.5848 -11.1463 -11.1463 -4.3944 -4.3944 -3.8102 -3.8102 -3.0265 -3.0265 -2.5280 -2.5280 -2.1428 -2.1428 -2.0125 -2.0125 -0.1427 -0.1427 -0.0258 -0.0258 0.5795 0.5795 0.8744 0.8744 3.5823 3.5823 3.8673 3.8673 9.3191 9.3191 9.5266 9.5266 k =-0.4231 0.3026 0.0000 ( 3906 PWs) bands (ev): -15.6820 -15.6820 -15.5161 -15.5161 -11.5813 -11.5813 -11.1465 -11.1465 -4.3882 -4.3882 -3.8132 -3.8132 -3.0528 -3.0528 -2.5427 -2.5427 -2.1487 -2.1487 -2.0129 -2.0129 -0.1622 -0.1622 -0.0339 -0.0339 0.5795 0.5795 0.8754 0.8754 3.5811 3.5811 3.8626 3.8626 9.3040 9.3040 9.5105 9.5105 k =-0.4327 0.3095 0.0000 ( 3906 PWs) bands (ev): -15.6782 -15.6782 -15.5133 -15.5133 -11.5782 -11.5782 -11.1467 -11.1467 -4.3825 -4.3825 -3.8159 -3.8159 -3.0764 -3.0764 -2.5558 -2.5558 -2.1540 -2.1540 -2.0131 -2.0131 -0.1798 -0.1798 -0.0411 -0.0411 0.5795 0.5795 0.8763 0.8763 3.5800 3.5800 3.8584 3.8584 9.2903 9.2903 9.4959 9.4959 k =-0.4423 0.3164 0.0000 ( 3910 PWs) bands (ev): -15.6750 -15.6750 -15.5110 -15.5110 -11.5754 -11.5754 -11.1469 -11.1469 -4.3773 -4.3773 -3.8183 -3.8183 -3.0971 -3.0971 -2.5671 -2.5671 -2.1586 -2.1586 -2.0131 -2.0131 -0.1953 -0.1953 -0.0474 -0.0474 0.5795 0.5795 0.8771 0.8771 3.5789 3.5789 3.8547 3.8547 9.2781 9.2781 9.4828 9.4828 k =-0.4519 0.3232 0.0000 ( 3910 PWs) bands (ev): -15.6722 -15.6722 -15.5089 -15.5089 -11.5731 -11.5731 -11.1471 -11.1471 -4.3728 -4.3728 -3.8203 -3.8203 -3.1149 -3.1149 -2.5768 -2.5768 -2.1626 -2.1626 -2.0131 -2.0131 -0.2086 -0.2086 -0.0528 -0.0528 0.5795 0.5795 0.8778 0.8778 3.5781 3.5781 3.8516 3.8516 9.2675 9.2675 9.4716 9.4716 k =-0.4615 0.3301 0.0000 ( 3906 PWs) bands (ev): -15.6699 -15.6699 -15.5072 -15.5072 -11.5712 -11.5712 -11.1472 -11.1472 -4.3691 -4.3691 -3.8219 -3.8219 -3.1295 -3.1295 -2.5847 -2.5847 -2.1658 -2.1658 -2.0130 -2.0130 -0.2197 -0.2197 -0.0572 -0.0572 0.5795 0.5795 0.8784 0.8784 3.5773 3.5773 3.8491 3.8491 9.2587 9.2587 9.4622 9.4622 k =-0.4712 0.3370 0.0000 ( 3902 PWs) bands (ev): -15.6681 -15.6681 -15.5059 -15.5059 -11.5697 -11.5697 -11.1473 -11.1473 -4.3660 -4.3660 -3.8232 -3.8232 -3.1410 -3.1410 -2.5908 -2.5908 -2.1683 -2.1683 -2.0129 -2.0129 -0.2284 -0.2284 -0.0606 -0.0606 0.5795 0.5795 0.8789 0.8789 3.5767 3.5767 3.8471 3.8471 9.2518 9.2518 9.4547 9.4547 k =-0.4808 0.3439 0.0000 ( 3898 PWs) bands (ev): -15.6668 -15.6668 -15.5050 -15.5050 -11.5686 -11.5686 -11.1474 -11.1474 -4.3639 -4.3639 -3.8241 -3.8241 -3.1493 -3.1493 -2.5953 -2.5953 -2.1701 -2.1701 -2.0128 -2.0128 -0.2346 -0.2346 -0.0631 -0.0631 0.5795 0.5795 0.8792 0.8792 3.5763 3.5763 3.8456 3.8456 9.2468 9.2468 9.4494 9.4494 k =-0.4904 0.3507 0.0000 ( 3902 PWs) bands (ev): -15.6660 -15.6660 -15.5044 -15.5044 -11.5679 -11.5679 -11.1474 -11.1474 -4.3625 -4.3625 -3.8247 -3.8247 -3.1543 -3.1543 -2.5979 -2.5979 -2.1711 -2.1711 -2.0127 -2.0127 -0.2384 -0.2384 -0.0646 -0.0646 0.5796 0.5796 0.8794 0.8794 3.5760 3.5760 3.8448 3.8448 9.2438 9.2438 9.4461 9.4461 k =-0.5000 0.3576 0.0000 ( 3896 PWs) bands (ev): -15.6658 -15.6658 -15.5042 -15.5042 -11.5677 -11.5677 -11.1474 -11.1474 -4.3621 -4.3621 -3.8249 -3.8249 -3.1559 -3.1559 -2.5988 -2.5988 -2.1715 -2.1715 -2.0127 -2.0127 -0.2396 -0.2396 -0.0651 -0.0651 0.5796 0.5796 0.8795 0.8795 3.5759 3.5759 3.8445 3.8445 9.2428 9.2428 9.4451 9.4451 k =-0.5000 0.3576 0.0000 ( 3896 PWs) bands (ev): -15.6658 -15.6658 -15.5042 -15.5042 -11.5677 -11.5677 -11.1474 -11.1474 -4.3621 -4.3621 -3.8249 -3.8249 -3.1559 -3.1559 -2.5988 -2.5988 -2.1715 -2.1715 -2.0127 -2.0127 -0.2396 -0.2396 -0.0651 -0.0651 0.5796 0.5796 0.8795 0.8795 3.5759 3.5759 3.8445 3.8445 9.2428 9.2428 9.4451 9.4451 k =-0.4932 0.3671-0.0000 ( 3896 PWs) bands (ev): -15.6657 -15.6657 -15.5044 -15.5044 -11.5676 -11.5676 -11.1479 -11.1479 -4.3621 -4.3621 -3.8254 -3.8254 -3.1552 -3.1552 -2.5982 -2.5982 -2.1723 -2.1723 -2.0133 -2.0133 -0.2391 -0.2391 -0.0640 -0.0640 0.5802 0.5802 0.8795 0.8795 3.5760 3.5760 3.8445 3.8445 9.2362 9.2362 9.4568 9.4568 k =-0.4864 0.3766-0.0000 ( 3900 PWs) bands (ev): -15.6655 -15.6655 -15.5047 -15.5047 -11.5673 -11.5673 -11.1492 -11.1492 -4.3620 -4.3620 -3.8271 -3.8271 -3.1531 -3.1531 -2.5965 -2.5965 -2.1747 -2.1747 -2.0150 -2.0150 -0.2376 -0.2376 -0.0608 -0.0608 0.5821 0.5821 0.8796 0.8796 3.5762 3.5762 3.8445 3.8445 9.2202 9.2202 9.4883 9.4883 k =-0.4796 0.3861-0.0000 ( 3897 PWs) bands (ev): -15.6651 -15.6651 -15.5052 -15.5052 -11.5668 -11.5668 -11.1513 -11.1513 -4.3618 -4.3618 -3.8299 -3.8299 -3.1495 -3.1495 -2.5937 -2.5937 -2.1785 -2.1785 -2.0178 -2.0178 -0.2351 -0.2351 -0.0555 -0.0555 0.5852 0.5852 0.8798 0.8798 3.5765 3.5765 3.8445 3.8445 9.2012 9.2012 9.5331 9.5331 k =-0.4729 0.3956-0.0000 ( 3907 PWs) bands (ev): -15.6646 -15.6646 -15.5060 -15.5060 -11.5662 -11.5662 -11.1543 -11.1543 -4.3616 -4.3616 -3.8338 -3.8338 -3.1445 -3.1445 -2.5898 -2.5898 -2.1838 -2.1838 -2.0217 -2.0217 -0.2317 -0.2317 -0.0483 -0.0483 0.5894 0.5894 0.8800 0.8800 3.5772 3.5772 3.8446 3.8446 9.1831 9.1831 9.5867 9.5867 k =-0.4661 0.4050-0.0000 ( 3899 PWs) bands (ev): -15.6640 -15.6640 -15.5070 -15.5070 -11.5653 -11.5653 -11.1581 -11.1581 -4.3613 -4.3613 -3.8388 -3.8388 -3.1380 -3.1380 -2.5848 -2.5848 -2.1903 -2.1903 -2.0266 -2.0266 -0.2272 -0.2272 -0.0392 -0.0392 0.5946 0.5946 0.8803 0.8803 3.5781 3.5781 3.8447 3.8447 9.1682 9.1682 9.6192 9.6192 k =-0.4593 0.4145-0.0000 ( 3903 PWs) bands (ev): -15.6632 -15.6632 -15.5082 -15.5082 -11.5642 -11.5642 -11.1628 -11.1628 -4.3609 -4.3609 -3.8451 -3.8451 -3.1302 -3.1302 -2.5786 -2.5786 -2.1978 -2.1978 -2.0324 -2.0324 -0.2218 -0.2218 -0.0284 -0.0284 0.6007 0.6007 0.8807 0.8807 3.5794 3.5794 3.8450 3.8450 9.1574 9.1574 9.6489 9.6489 k =-0.4525 0.4240-0.0000 ( 3907 PWs) bands (ev): -15.6623 -15.6623 -15.5097 -15.5097 -11.5629 -11.5629 -11.1682 -11.1682 -4.3603 -4.3603 -3.8524 -3.8524 -3.1209 -3.1209 -2.5714 -2.5714 -2.2062 -2.2062 -2.0391 -2.0391 -0.2154 -0.2154 -0.0162 -0.0162 0.6075 0.6075 0.8811 0.8811 3.5813 3.5813 3.8454 3.8454 9.1513 9.1513 9.6836 9.6836 k =-0.4457 0.4335-0.0000 ( 3907 PWs) bands (ev): -15.6613 -15.6613 -15.5113 -15.5113 -11.5614 -11.5614 -11.1744 -11.1744 -4.3596 -4.3596 -3.8610 -3.8610 -3.1102 -3.1102 -2.5631 -2.5631 -2.2153 -2.2153 -2.0466 -2.0466 -0.2082 -0.2082 -0.0026 -0.0026 0.6150 0.6150 0.8816 0.8816 3.5838 3.5838 3.8460 3.8460 9.1501 9.1501 9.7231 9.7231 k =-0.4389 0.4430-0.0000 ( 3911 PWs) bands (ev): -15.6601 -15.6601 -15.5133 -15.5133 -11.5597 -11.5597 -11.1814 -11.1814 -4.3588 -4.3588 -3.8708 -3.8708 -3.0982 -3.0982 -2.5537 -2.5537 -2.2247 -2.2247 -2.0548 -2.0548 -0.2000 -0.2000 0.0120 0.0120 0.6228 0.6228 0.8822 0.8822 3.5870 3.5870 3.8468 3.8468 9.1542 9.1542 9.7672 9.7672 k =-0.4322 0.4525-0.0000 ( 3911 PWs) bands (ev): -15.6589 -15.6589 -15.5154 -15.5154 -11.5578 -11.5578 -11.1891 -11.1891 -4.3577 -4.3577 -3.8818 -3.8818 -3.0848 -3.0848 -2.5433 -2.5433 -2.2344 -2.2344 -2.0635 -2.0635 -0.1909 -0.1909 0.0274 0.0274 0.6308 0.6308 0.8828 0.8828 3.5911 3.5911 3.8480 3.8480 9.1634 9.1634 9.8157 9.8157 k =-0.4254 0.4620-0.0000 ( 3913 PWs) bands (ev): -15.6576 -15.6576 -15.5178 -15.5178 -11.5557 -11.5557 -11.1975 -11.1975 -4.3564 -4.3564 -3.8940 -3.8940 -3.0700 -3.0700 -2.5319 -2.5319 -2.2440 -2.2440 -2.0727 -2.0727 -0.1809 -0.1809 0.0435 0.0435 0.6389 0.6389 0.8834 0.8834 3.5962 3.5962 3.8494 3.8494 9.1779 9.1779 9.8684 9.8684 k =-0.4186 0.4714-0.0000 ( 3907 PWs) bands (ev): -15.6562 -15.6562 -15.5205 -15.5205 -11.5533 -11.5533 -11.2065 -11.2065 -4.3547 -4.3547 -3.9073 -3.9073 -3.0539 -3.0539 -2.5195 -2.5195 -2.2533 -2.2533 -2.0823 -2.0823 -0.1701 -0.1701 0.0601 0.0601 0.6468 0.6468 0.8841 0.8841 3.6024 3.6024 3.8512 3.8512 9.1975 9.1975 9.9249 9.9249 k =-0.4118 0.4809-0.0000 ( 3913 PWs) bands (ev): -15.6547 -15.6547 -15.5234 -15.5234 -11.5507 -11.5507 -11.2161 -11.2161 -4.3528 -4.3528 -3.9219 -3.9219 -3.0364 -3.0364 -2.5061 -2.5061 -2.2622 -2.2622 -2.0922 -2.0922 -0.1585 -0.1585 0.0769 0.0769 0.6545 0.6545 0.8848 0.8848 3.6097 3.6097 3.8534 3.8534 9.2223 9.2223 9.9851 9.9851 k =-0.4050 0.4904-0.0000 ( 3911 PWs) bands (ev): -15.6532 -15.6532 -15.5266 -15.5266 -11.5479 -11.5479 -11.2264 -11.2264 -4.3505 -4.3505 -3.9376 -3.9376 -3.0177 -3.0177 -2.4918 -2.4918 -2.2704 -2.2704 -2.1023 -2.1023 -0.1461 -0.1461 0.0938 0.0938 0.6618 0.6618 0.8855 0.8855 3.6183 3.6183 3.8560 3.8560 9.2520 9.2520 10.0423 10.0423 k =-0.3982 0.4999-0.0000 ( 3919 PWs) bands (ev): -15.6516 -15.6516 -15.5301 -15.5301 -11.5449 -11.5449 -11.2372 -11.2372 -4.3478 -4.3478 -3.9545 -3.9545 -2.9977 -2.9977 -2.4766 -2.4766 -2.2779 -2.2779 -2.1125 -2.1125 -0.1328 -0.1328 0.1106 0.1106 0.6684 0.6684 0.8863 0.8863 3.6282 3.6282 3.8591 3.8591 9.2865 9.2865 10.0433 10.0433 k =-0.3915 0.5094-0.0000 ( 3915 PWs) bands (ev): -15.6500 -15.6500 -15.5338 -15.5338 -11.5416 -11.5416 -11.2485 -11.2485 -4.3446 -4.3446 -3.9723 -3.9723 -2.9764 -2.9764 -2.4606 -2.4606 -2.2843 -2.2843 -2.1227 -2.1227 -0.1188 -0.1188 0.1272 0.1272 0.6745 0.6745 0.8870 0.8870 3.6394 3.6394 3.8625 3.8625 9.3256 9.3256 10.0414 10.0414 k =-0.3847 0.5189-0.0000 ( 3909 PWs) bands (ev): -15.6484 -15.6484 -15.5379 -15.5379 -11.5381 -11.5381 -11.2602 -11.2602 -4.3410 -4.3410 -3.9912 -3.9912 -2.9539 -2.9539 -2.4439 -2.4439 -2.2896 -2.2896 -2.1329 -2.1329 -0.1041 -0.1041 0.1435 0.1435 0.6797 0.6797 0.8878 0.8878 3.6519 3.6519 3.8663 3.8663 9.3692 9.3692 10.0385 10.0385 k =-0.3779 0.5283-0.0000 ( 3911 PWs) bands (ev): -15.6468 -15.6468 -15.5422 -15.5422 -11.5343 -11.5343 -11.2724 -11.2724 -4.3368 -4.3368 -4.0110 -4.0110 -2.9302 -2.9302 -2.4265 -2.4265 -2.2937 -2.2937 -2.1429 -2.1429 -0.0887 -0.0887 0.1595 0.1595 0.6842 0.6842 0.8886 0.8886 3.6657 3.6657 3.8704 3.8704 9.4169 9.4169 10.0345 10.0345 k =-0.3779 0.5283-0.0000 ( 3911 PWs) bands (ev): -15.6468 -15.6468 -15.5422 -15.5422 -11.5343 -11.5343 -11.2724 -11.2724 -4.3368 -4.3368 -4.0110 -4.0110 -2.9302 -2.9302 -2.4265 -2.4265 -2.2937 -2.2937 -2.1429 -2.1429 -0.0887 -0.0887 0.1595 0.1595 0.6842 0.6842 0.8886 0.8886 3.6657 3.6657 3.8704 3.8704 9.4169 9.4169 10.0345 10.0345 k =-0.3779 0.5283 0.0116 ( 3909 PWs) bands (ev): -15.6467 -15.6467 -15.5423 -15.5423 -11.5339 -11.5339 -11.2728 -11.2728 -4.3362 -4.3362 -4.0113 -4.0113 -2.9296 -2.9296 -2.4276 -2.4276 -2.2950 -2.2950 -2.1424 -2.1424 -0.0870 -0.0870 0.1602 0.1602 0.6841 0.6841 0.8872 0.8872 3.6657 3.6657 3.8700 3.8700 9.4196 9.4196 10.0364 10.0364 k =-0.3779 0.5283 0.0232 ( 3907 PWs) bands (ev): -15.6462 -15.6462 -15.5428 -15.5428 -11.5327 -11.5327 -11.2740 -11.2740 -4.3345 -4.3345 -4.0119 -4.0119 -2.9277 -2.9277 -2.4307 -2.4307 -2.2988 -2.2988 -2.1407 -2.1407 -0.0819 -0.0819 0.1624 0.1624 0.6835 0.6835 0.8831 0.8831 3.6659 3.6659 3.8689 3.8689 9.4276 9.4276 10.0420 10.0420 k =-0.3779 0.5283 0.0347 ( 3904 PWs) bands (ev): -15.6455 -15.6455 -15.5437 -15.5437 -11.5307 -11.5307 -11.2761 -11.2761 -4.3317 -4.3317 -4.0131 -4.0131 -2.9247 -2.9247 -2.4359 -2.4359 -2.3046 -2.3046 -2.1385 -2.1385 -0.0735 -0.0735 0.1662 0.1662 0.6824 0.6824 0.8763 0.8763 3.6663 3.6663 3.8671 3.8671 9.4408 9.4408 10.0514 10.0514 k =-0.3779 0.5283 0.0463 ( 3909 PWs) bands (ev): -15.6444 -15.6444 -15.5448 -15.5448 -11.5279 -11.5279 -11.2789 -11.2789 -4.3278 -4.3278 -4.0148 -4.0148 -2.9204 -2.9204 -2.4430 -2.4430 -2.3119 -2.3119 -2.1364 -2.1364 -0.0619 -0.0619 0.1716 0.1716 0.6807 0.6807 0.8668 0.8668 3.6668 3.6668 3.8645 3.8645 9.4591 9.4591 10.0644 10.0644 k =-0.3779 0.5283 0.0579 ( 3911 PWs) bands (ev): -15.6430 -15.6430 -15.5463 -15.5463 -11.5244 -11.5244 -11.2825 -11.2825 -4.3228 -4.3228 -4.0171 -4.0171 -2.9149 -2.9149 -2.4520 -2.4520 -2.3198 -2.3198 -2.1347 -2.1347 -0.0472 -0.0472 0.1786 0.1786 0.6783 0.6783 0.8548 0.8548 3.6676 3.6676 3.8612 3.8612 9.4823 9.4823 10.0811 10.0811 k =-0.3779 0.5283 0.0695 ( 3911 PWs) bands (ev): -15.6414 -15.6414 -15.5481 -15.5481 -11.5202 -11.5202 -11.2869 -11.2869 -4.3167 -4.3167 -4.0201 -4.0201 -2.9083 -2.9083 -2.4626 -2.4626 -2.3279 -2.3279 -2.1342 -2.1342 -0.0295 -0.0295 0.1875 0.1875 0.6749 0.6749 0.8402 0.8402 3.6687 3.6687 3.8572 3.8572 9.5102 9.5102 10.1014 10.1014 k =-0.3779 0.5283 0.0811 ( 3912 PWs) bands (ev): -15.6394 -15.6394 -15.5502 -15.5502 -11.5152 -11.5152 -11.2920 -11.2920 -4.3096 -4.3096 -4.0237 -4.0237 -2.9005 -2.9005 -2.4748 -2.4748 -2.3355 -2.3355 -2.1351 -2.1351 -0.0090 -0.0090 0.1982 0.1982 0.6704 0.6704 0.8232 0.8232 3.6702 3.6702 3.8524 3.8524 9.5423 9.5423 10.1253 10.1253 k =-0.3779 0.5283 0.0927 ( 3917 PWs) bands (ev): -15.6372 -15.6372 -15.5526 -15.5526 -11.5095 -11.5095 -11.2977 -11.2977 -4.3015 -4.3015 -4.0282 -4.0282 -2.8915 -2.8915 -2.4884 -2.4884 -2.3422 -2.3422 -2.1377 -2.1377 0.0141 0.0141 0.2108 0.2108 0.6646 0.6646 0.8040 0.8040 3.6722 3.6722 3.8470 3.8470 9.5784 9.5784 10.1525 10.1525 k =-0.3779 0.5283 0.1042 ( 3917 PWs) bands (ev): -15.6348 -15.6348 -15.5552 -15.5552 -11.5032 -11.5032 -11.3042 -11.3042 -4.2924 -4.2924 -4.0335 -4.0335 -2.8815 -2.8815 -2.5033 -2.5033 -2.3477 -2.3477 -2.1422 -2.1422 0.0395 0.0395 0.2253 0.2253 0.6572 0.6572 0.7825 0.7825 3.6747 3.6747 3.8409 3.8409 9.6180 9.6180 10.1827 10.1827 k =-0.3779 0.5283 0.1158 ( 3911 PWs) bands (ev): -15.6321 -15.6321 -15.5581 -15.5581 -11.4963 -11.4963 -11.3112 -11.3112 -4.2824 -4.2824 -4.0397 -4.0397 -2.8703 -2.8703 -2.5193 -2.5193 -2.3515 -2.3515 -2.1486 -2.1486 0.0672 0.0672 0.2417 0.2417 0.6482 0.6482 0.7591 0.7591 3.6778 3.6778 3.8341 3.8341 9.6605 9.6605 10.1876 10.1876 k =-0.3779 0.5283 0.1274 ( 3911 PWs) bands (ev): -15.6291 -15.6291 -15.5612 -15.5612 -11.4888 -11.4888 -11.3188 -11.3188 -4.2715 -4.2715 -4.0469 -4.0469 -2.8581 -2.8581 -2.5363 -2.5363 -2.3535 -2.3535 -2.1569 -2.1569 0.0967 0.0967 0.2598 0.2598 0.6372 0.6372 0.7339 0.7339 3.6815 3.6815 3.8268 3.8268 9.7053 9.7053 10.1807 10.1807 k =-0.3779 0.5283 0.1390 ( 3907 PWs) bands (ev): -15.6260 -15.6260 -15.5645 -15.5645 -11.4808 -11.4808 -11.3270 -11.3270 -4.2599 -4.2599 -4.0551 -4.0551 -2.8449 -2.8449 -2.5542 -2.5542 -2.3534 -2.3534 -2.1670 -2.1670 0.1280 0.1280 0.2796 0.2796 0.6243 0.6243 0.7071 0.7071 3.6860 3.6860 3.8189 3.8189 9.7518 9.7518 10.1756 10.1756 k =-0.3779 0.5283 0.1506 ( 3907 PWs) bands (ev): -15.6227 -15.6227 -15.5680 -15.5680 -11.4723 -11.4723 -11.3356 -11.3356 -4.2476 -4.2476 -4.0642 -4.0642 -2.8308 -2.8308 -2.5727 -2.5727 -2.3513 -2.3513 -2.1787 -2.1787 0.1607 0.1607 0.3008 0.3008 0.6091 0.6091 0.6792 0.6792 3.6911 3.6911 3.8105 3.8105 9.7991 9.7991 10.1717 10.1717 k =-0.3779 0.5283 0.1622 ( 3903 PWs) bands (ev): -15.6191 -15.6191 -15.5716 -15.5716 -11.4634 -11.4634 -11.3446 -11.3446 -4.2346 -4.2346 -4.0743 -4.0743 -2.8157 -2.8157 -2.5918 -2.5918 -2.3470 -2.3470 -2.1918 -2.1918 0.1945 0.1945 0.3231 0.3231 0.5915 0.5915 0.6505 0.6505 3.6970 3.6970 3.8017 3.8017 9.8466 9.8466 10.1679 10.1679 k =-0.3779 0.5283 0.1737 ( 3907 PWs) bands (ev): -15.6155 -15.6155 -15.5754 -15.5754 -11.4541 -11.4541 -11.3540 -11.3540 -4.2212 -4.2212 -4.0853 -4.0853 -2.7998 -2.7998 -2.6113 -2.6113 -2.3407 -2.3407 -2.2061 -2.2061 0.2292 0.2292 0.3463 0.3463 0.5714 0.5714 0.6217 0.6217 3.7036 3.7036 3.7925 3.7925 9.8933 9.8933 10.1632 10.1632 k =-0.3779 0.5283 0.1853 ( 3915 PWs) bands (ev): -15.6117 -15.6117 -15.5794 -15.5794 -11.4446 -11.4446 -11.3637 -11.3637 -4.2073 -4.2073 -4.0971 -4.0971 -2.7831 -2.7831 -2.6311 -2.6311 -2.3323 -2.3323 -2.2211 -2.2211 0.2645 0.2645 0.3697 0.3697 0.5485 0.5485 0.5934 0.5934 3.7108 3.7108 3.7831 3.7831 9.9384 9.9384 10.1563 10.1563 k =-0.3779 0.5283 0.1969 ( 3912 PWs) bands (ev): -15.6078 -15.6078 -15.5834 -15.5834 -11.4347 -11.4347 -11.3736 -11.3736 -4.1931 -4.1931 -4.1096 -4.1096 -2.7657 -2.7657 -2.6509 -2.6509 -2.3222 -2.3222 -2.2367 -2.2367 0.2999 0.2999 0.3923 0.3923 0.5237 0.5237 0.5664 0.5664 3.7186 3.7186 3.7736 3.7736 9.9810 9.9810 10.1459 10.1459 k =-0.3779 0.5283 0.2085 ( 3921 PWs) bands (ev): -15.6038 -15.6038 -15.5874 -15.5874 -11.4247 -11.4247 -11.3837 -11.3837 -4.1788 -4.1788 -4.1227 -4.1227 -2.7476 -2.7476 -2.6708 -2.6708 -2.3104 -2.3104 -2.2524 -2.2524 0.3350 0.3350 0.4110 0.4110 0.4999 0.4999 0.5408 0.5408 3.7269 3.7269 3.7639 3.7639 10.0203 10.0203 10.1310 10.1310 k =-0.3779 0.5283 0.2201 ( 3922 PWs) bands (ev): -15.5997 -15.5997 -15.5915 -15.5915 -11.4145 -11.4145 -11.3939 -11.3939 -4.1645 -4.1645 -4.1364 -4.1364 -2.7290 -2.7290 -2.6905 -2.6905 -2.2972 -2.2972 -2.2680 -2.2680 0.3687 0.3687 0.4162 0.4162 0.4876 0.4876 0.5170 0.5170 3.7358 3.7358 3.7544 3.7544 10.0554 10.0554 10.1111 10.1111 k =-0.3779 0.5283 0.2317 ( 3914 PWs) bands (ev): -15.5958 -15.5958 -15.5955 -15.5955 -11.4043 -11.4043 -11.4041 -11.4041 -4.1505 -4.1505 -4.1501 -4.1501 -2.7101 -2.7101 -2.7098 -2.7098 -2.2831 -2.2831 -2.2829 -2.2829 0.3984 0.3984 0.3986 0.3986 0.4966 0.4966 0.4968 0.4968 3.7449 3.7449 3.7450 3.7450 10.0858 10.0858 10.0859 10.0859 k =-0.3779 0.5283 0.2317 ( 3914 PWs) bands (ev): -15.5958 -15.5958 -15.5955 -15.5955 -11.4043 -11.4043 -11.4041 -11.4041 -4.1505 -4.1505 -4.1501 -4.1501 -2.7101 -2.7101 -2.7098 -2.7098 -2.2831 -2.2831 -2.2829 -2.2829 0.3984 0.3984 0.3986 0.3986 0.4966 0.4966 0.4968 0.4968 3.7449 3.7449 3.7450 3.7450 10.0858 10.0858 10.0859 10.0859 k =-0.3847 0.5189 0.2317 ( 3930 PWs) bands (ev): -15.5946 -15.5946 -15.5943 -15.5943 -11.4001 -11.4001 -11.3998 -11.3998 -4.1493 -4.1493 -4.1490 -4.1490 -2.7316 -2.7316 -2.7313 -2.7313 -2.2596 -2.2596 -2.2594 -2.2594 0.3855 0.3855 0.3857 0.3857 0.4760 0.4760 0.4762 0.4762 3.7376 3.7376 3.7377 3.7377 10.0419 10.0419 10.0420 10.0420 k =-0.3915 0.5094 0.2317 ( 3938 PWs) bands (ev): -15.5935 -15.5935 -15.5932 -15.5932 -11.3960 -11.3960 -11.3957 -11.3957 -4.1481 -4.1481 -4.1478 -4.1478 -2.7520 -2.7520 -2.7518 -2.7518 -2.2359 -2.2359 -2.2357 -2.2357 0.3714 0.3714 0.3716 0.3716 0.4572 0.4572 0.4574 0.4574 3.7299 3.7299 3.7301 3.7301 10.0016 10.0016 10.0017 10.0017 k =-0.3982 0.4999 0.2317 ( 3938 PWs) bands (ev): -15.5926 -15.5926 -15.5923 -15.5923 -11.3919 -11.3919 -11.3917 -11.3917 -4.1469 -4.1469 -4.1465 -4.1465 -2.7714 -2.7714 -2.7712 -2.7712 -2.2122 -2.2122 -2.2119 -2.2119 0.3558 0.3558 0.3560 0.3560 0.4406 0.4406 0.4408 0.4408 3.7220 3.7220 3.7221 3.7221 9.9649 9.9649 9.9651 9.9651 k =-0.4050 0.4904 0.2317 ( 3934 PWs) bands (ev): -15.5918 -15.5918 -15.5915 -15.5915 -11.3881 -11.3881 -11.3878 -11.3878 -4.1456 -4.1456 -4.1453 -4.1453 -2.7897 -2.7897 -2.7895 -2.7895 -2.1887 -2.1887 -2.1884 -2.1884 0.3387 0.3387 0.3390 0.3390 0.4264 0.4264 0.4265 0.4265 3.7138 3.7138 3.7140 3.7140 9.9317 9.9317 9.9319 9.9319 k =-0.4118 0.4809 0.2317 ( 3946 PWs) bands (ev): -15.5911 -15.5911 -15.5908 -15.5908 -11.3843 -11.3843 -11.3840 -11.3840 -4.1443 -4.1443 -4.1440 -4.1440 -2.8069 -2.8069 -2.8066 -2.8066 -2.1656 -2.1656 -2.1653 -2.1653 0.3207 0.3207 0.3209 0.3209 0.4142 0.4142 0.4144 0.4144 3.7055 3.7055 3.7057 3.7057 9.9019 9.9019 9.9020 9.9020 k =-0.4186 0.4714 0.2317 ( 3934 PWs) bands (ev): -15.5905 -15.5905 -15.5902 -15.5902 -11.3808 -11.3808 -11.3805 -11.3805 -4.1430 -4.1430 -4.1427 -4.1427 -2.8228 -2.8228 -2.8226 -2.8226 -2.1431 -2.1431 -2.1428 -2.1428 0.3020 0.3020 0.3022 0.3022 0.4040 0.4040 0.4042 0.4042 3.6972 3.6972 3.6973 3.6973 9.8753 9.8753 9.8754 9.8754 k =-0.4254 0.4620 0.2317 ( 3938 PWs) bands (ev): -15.5900 -15.5900 -15.5897 -15.5897 -11.3774 -11.3774 -11.3772 -11.3772 -4.1417 -4.1417 -4.1414 -4.1414 -2.8376 -2.8376 -2.8374 -2.8374 -2.1214 -2.1214 -2.1211 -2.1211 0.2833 0.2833 0.2835 0.2835 0.3952 0.3952 0.3954 0.3954 3.6889 3.6889 3.6891 3.6891 9.8518 9.8518 9.8519 9.8519 k =-0.4322 0.4525 0.2317 ( 3916 PWs) bands (ev): -15.5895 -15.5895 -15.5892 -15.5892 -11.3743 -11.3743 -11.3740 -11.3740 -4.1404 -4.1404 -4.1401 -4.1401 -2.8511 -2.8511 -2.8509 -2.8509 -2.1008 -2.1008 -2.1005 -2.1005 0.2650 0.2650 0.2652 0.2652 0.3877 0.3877 0.3879 0.3879 3.6809 3.6809 3.6810 3.6810 9.8311 9.8311 9.8312 9.8312 k =-0.4389 0.4430 0.2317 ( 3910 PWs) bands (ev): -15.5892 -15.5892 -15.5889 -15.5889 -11.3714 -11.3714 -11.3711 -11.3711 -4.1392 -4.1392 -4.1388 -4.1388 -2.8635 -2.8635 -2.8632 -2.8632 -2.0814 -2.0814 -2.0811 -2.0811 0.2475 0.2475 0.2477 0.2477 0.3812 0.3812 0.3814 0.3814 3.6731 3.6731 3.6733 3.6733 9.8131 9.8131 9.8132 9.8132 k =-0.4457 0.4335 0.2317 ( 3922 PWs) bands (ev): -15.5889 -15.5889 -15.5886 -15.5886 -11.3688 -11.3688 -11.3685 -11.3685 -4.1380 -4.1380 -4.1376 -4.1376 -2.8745 -2.8745 -2.8743 -2.8743 -2.0634 -2.0634 -2.0632 -2.0632 0.2311 0.2311 0.2313 0.2313 0.3756 0.3756 0.3758 0.3758 3.6658 3.6658 3.6659 3.6659 9.7975 9.7975 9.7977 9.7977 k =-0.4525 0.4240 0.2317 ( 3918 PWs) bands (ev): -15.5887 -15.5887 -15.5884 -15.5884 -11.3665 -11.3665 -11.3662 -11.3662 -4.1369 -4.1369 -4.1365 -4.1365 -2.8843 -2.8843 -2.8841 -2.8841 -2.0471 -2.0471 -2.0468 -2.0468 0.2161 0.2161 0.2163 0.2163 0.3708 0.3708 0.3709 0.3709 3.6590 3.6590 3.6592 3.6592 9.7843 9.7843 9.7845 9.7845 k =-0.4593 0.4145 0.2317 ( 3922 PWs) bands (ev): -15.5885 -15.5885 -15.5882 -15.5882 -11.3644 -11.3644 -11.3641 -11.3641 -4.1359 -4.1359 -4.1355 -4.1355 -2.8929 -2.8929 -2.8926 -2.8926 -2.0326 -2.0326 -2.0323 -2.0323 0.2027 0.2027 0.2029 0.2029 0.3667 0.3667 0.3668 0.3668 3.6529 3.6529 3.6531 3.6531 9.7733 9.7733 9.7734 9.7734 k =-0.4661 0.4050 0.2317 ( 3916 PWs) bands (ev): -15.5883 -15.5883 -15.5880 -15.5880 -11.3626 -11.3626 -11.3623 -11.3623 -4.1350 -4.1350 -4.1346 -4.1346 -2.9001 -2.9001 -2.8999 -2.8999 -2.0200 -2.0200 -2.0197 -2.0197 0.1910 0.1910 0.1912 0.1912 0.3632 0.3632 0.3634 0.3634 3.6476 3.6476 3.6477 3.6477 9.7642 9.7642 9.7643 9.7643 k =-0.4729 0.3956 0.2317 ( 3916 PWs) bands (ev): -15.5882 -15.5882 -15.5879 -15.5879 -11.3611 -11.3611 -11.3609 -11.3609 -4.1342 -4.1342 -4.1339 -4.1339 -2.9060 -2.9060 -2.9058 -2.9058 -2.0094 -2.0094 -2.0092 -2.0092 0.1812 0.1812 0.1815 0.1815 0.3605 0.3605 0.3606 0.3606 3.6431 3.6431 3.6432 3.6432 9.7569 9.7569 9.7571 9.7571 k =-0.4796 0.3861 0.2317 ( 3914 PWs) bands (ev): -15.5881 -15.5881 -15.5878 -15.5878 -11.3600 -11.3600 -11.3597 -11.3597 -4.1336 -4.1336 -4.1333 -4.1333 -2.9106 -2.9106 -2.9104 -2.9104 -2.0011 -2.0011 -2.0009 -2.0009 0.1735 0.1735 0.1737 0.1737 0.3583 0.3583 0.3585 0.3585 3.6395 3.6395 3.6396 3.6396 9.7514 9.7514 9.7515 9.7515 k =-0.4864 0.3766 0.2317 ( 3908 PWs) bands (ev): -15.5881 -15.5881 -15.5878 -15.5878 -11.3592 -11.3592 -11.3589 -11.3589 -4.1332 -4.1332 -4.1329 -4.1329 -2.9140 -2.9140 -2.9137 -2.9137 -1.9951 -1.9951 -1.9949 -1.9949 0.1679 0.1679 0.1682 0.1682 0.3568 0.3568 0.3570 0.3570 3.6369 3.6369 3.6370 3.6370 9.7476 9.7476 9.7477 9.7477 k =-0.4932 0.3671 0.2317 ( 3908 PWs) bands (ev): -15.5880 -15.5880 -15.5877 -15.5877 -11.3587 -11.3587 -11.3584 -11.3584 -4.1329 -4.1329 -4.1326 -4.1326 -2.9159 -2.9159 -2.9157 -2.9157 -1.9915 -1.9915 -1.9913 -1.9913 0.1645 0.1645 0.1648 0.1648 0.3559 0.3559 0.3561 0.3561 3.6353 3.6353 3.6354 3.6354 9.7453 9.7453 9.7454 9.7454 k =-0.5000 0.3576 0.2317 ( 3916 PWs) bands (ev): -15.5880 -15.5880 -15.5877 -15.5877 -11.3585 -11.3585 -11.3582 -11.3582 -4.1329 -4.1329 -4.1325 -4.1325 -2.9166 -2.9166 -2.9164 -2.9164 -1.9903 -1.9903 -1.9900 -1.9900 0.1634 0.1634 0.1636 0.1636 0.3556 0.3556 0.3558 0.3558 3.6347 3.6347 3.6349 3.6349 9.7445 9.7445 9.7446 9.7446 k =-0.5000 0.3576 0.2317 ( 3916 PWs) bands (ev): -15.5880 -15.5880 -15.5877 -15.5877 -11.3585 -11.3585 -11.3582 -11.3582 -4.1329 -4.1329 -4.1325 -4.1325 -2.9166 -2.9166 -2.9164 -2.9164 -1.9903 -1.9903 -1.9900 -1.9900 0.1634 0.1634 0.1636 0.1636 0.3556 0.3556 0.3558 0.3558 3.6347 3.6347 3.6349 3.6349 9.7445 9.7445 9.7446 9.7446 k =-0.5000 0.3576 0.2201 ( 3912 PWs) bands (ev): -15.5942 -15.5942 -15.5815 -15.5815 -11.3748 -11.3748 -11.3419 -11.3419 -4.1528 -4.1528 -4.1121 -4.1121 -2.9374 -2.9374 -2.8951 -2.8951 -1.9989 -1.9989 -1.9826 -1.9826 0.1390 0.1390 0.1872 0.1872 0.3166 0.3166 0.3964 0.3964 3.6244 3.6244 3.6461 3.6461 9.7350 9.7350 9.7471 9.7471 k =-0.5000 0.3576 0.2085 ( 3902 PWs) bands (ev): -15.6004 -15.6004 -15.5752 -15.5752 -11.3912 -11.3912 -11.3255 -11.3255 -4.1724 -4.1724 -4.0911 -4.0911 -2.9578 -2.9578 -2.8734 -2.8734 -2.0088 -2.0088 -1.9764 -1.9764 0.1148 0.1148 0.2054 0.2054 0.2838 0.2838 0.4373 0.4373 3.6149 3.6149 3.6583 3.6583 9.7192 9.7192 9.7421 9.7421 k =-0.5000 0.3576 0.1969 ( 3914 PWs) bands (ev): -15.6065 -15.6065 -15.5689 -15.5689 -11.4073 -11.4073 -11.3093 -11.3093 -4.1914 -4.1914 -4.0700 -4.0700 -2.9775 -2.9775 -2.8515 -2.8515 -2.0196 -2.0196 -1.9716 -1.9716 0.0915 0.0915 0.2009 0.2009 0.2747 0.2747 0.4778 0.4778 3.6064 3.6064 3.6712 3.6712 9.6981 9.6981 9.7296 9.7296 k =-0.5000 0.3576 0.1853 ( 3910 PWs) bands (ev): -15.6125 -15.6125 -15.5627 -15.5627 -11.4231 -11.4231 -11.2934 -11.2934 -4.2096 -4.2096 -4.0487 -4.0487 -2.9965 -2.9965 -2.8295 -2.8295 -2.0311 -2.0311 -1.9682 -1.9682 0.0692 0.0692 0.1712 0.1712 0.2918 0.2918 0.5176 0.5176 3.5990 3.5990 3.6846 3.6846 9.6727 9.6727 9.7100 9.7100 k =-0.5000 0.3576 0.1737 ( 3916 PWs) bands (ev): -15.6183 -15.6183 -15.5566 -15.5566 -11.4386 -11.4386 -11.2779 -11.2779 -4.2271 -4.2271 -4.0275 -4.0275 -3.0147 -3.0147 -2.8075 -2.8075 -2.0432 -2.0432 -1.9662 -1.9662 0.0478 0.0478 0.1350 0.1350 0.3167 0.3167 0.5564 0.5564 3.5927 3.5927 3.6985 3.6985 9.6444 9.6444 9.6839 9.6839 k =-0.5000 0.3576 0.1622 ( 3916 PWs) bands (ev): -15.6239 -15.6239 -15.5507 -15.5507 -11.4535 -11.4535 -11.2629 -11.2629 -4.2437 -4.2437 -4.0064 -4.0064 -3.0320 -3.0320 -2.7857 -2.7857 -2.0557 -2.0557 -1.9657 -1.9657 0.0271 0.0271 0.0986 0.0986 0.3434 0.3434 0.5939 0.5939 3.5873 3.5873 3.7126 3.7126 9.6144 9.6144 9.6523 9.6523 k =-0.5000 0.3576 0.1506 ( 3918 PWs) bands (ev): -15.6292 -15.6292 -15.5450 -15.5450 -11.4678 -11.4678 -11.2485 -11.2485 -4.2593 -4.2593 -3.9857 -3.9857 -3.0483 -3.0483 -2.7643 -2.7643 -2.0683 -2.0683 -1.9665 -1.9665 0.0063 0.0063 0.0643 0.0643 0.3704 0.3704 0.6299 0.6299 3.5830 3.5830 3.7269 3.7269 9.5837 9.5837 9.6164 9.6164 k =-0.5000 0.3576 0.1390 ( 3918 PWs) bands (ev): -15.6343 -15.6343 -15.5395 -15.5395 -11.4815 -11.4815 -11.2347 -11.2347 -4.2740 -4.2740 -3.9655 -3.9655 -3.0637 -3.0637 -2.7434 -2.7434 -2.0810 -2.0810 -1.9685 -1.9685 -0.0162 -0.0162 0.0345 0.0345 0.3970 0.3970 0.6641 0.6641 3.5796 3.5796 3.7411 3.7411 9.5534 9.5534 9.5774 9.5774 k =-0.5000 0.3576 0.1274 ( 3922 PWs) bands (ev): -15.6391 -15.6391 -15.5343 -15.5343 -11.4944 -11.4944 -11.2217 -11.2217 -4.2877 -4.2877 -3.9459 -3.9459 -3.0780 -3.0780 -2.7232 -2.7232 -2.0934 -2.0934 -1.9716 -1.9716 -0.0417 -0.0417 0.0108 0.0108 0.4228 0.4228 0.6964 0.6964 3.5771 3.5771 3.7551 3.7551 9.5245 9.5245 9.5366 9.5366 k =-0.5000 0.3576 0.1158 ( 3916 PWs) bands (ev): -15.6435 -15.6435 -15.5294 -15.5294 -11.5064 -11.5064 -11.2095 -11.2095 -4.3004 -4.3004 -3.9272 -3.9272 -3.0912 -3.0912 -2.7039 -2.7039 -2.1054 -2.1054 -1.9755 -1.9755 -0.0696 -0.0696 -0.0069 -0.0069 0.4474 0.4474 0.7265 0.7265 3.5753 3.5753 3.7686 3.7686 9.4938 9.4938 9.4993 9.4993 k =-0.5000 0.3576 0.1042 ( 3916 PWs) bands (ev): -15.6476 -15.6476 -15.5249 -15.5249 -11.5176 -11.5176 -11.1982 -11.1982 -4.3119 -4.3119 -3.9095 -3.9095 -3.1033 -3.1033 -2.6857 -2.6857 -2.1168 -2.1168 -1.9801 -1.9801 -0.0979 -0.0979 -0.0206 -0.0206 0.4706 0.4706 0.7544 0.7544 3.5742 3.5742 3.7815 3.7815 9.4535 9.4535 9.4751 9.4751 k =-0.5000 0.3576 0.0927 ( 3910 PWs) bands (ev): -15.6513 -15.6513 -15.5207 -15.5207 -11.5278 -11.5278 -11.1879 -11.1879 -4.3223 -4.3223 -3.8931 -3.8931 -3.1142 -3.1142 -2.6688 -2.6688 -2.1274 -2.1274 -1.9851 -1.9851 -0.1252 -0.1252 -0.0315 -0.0315 0.4922 0.4922 0.7798 0.7798 3.5737 3.5737 3.7936 3.7936 9.4142 9.4142 9.4553 9.4553 k =-0.5000 0.3576 0.0811 ( 3908 PWs) bands (ev): -15.6546 -15.6546 -15.5170 -15.5170 -11.5369 -11.5369 -11.1787 -11.1787 -4.3315 -4.3315 -3.8780 -3.8780 -3.1238 -3.1238 -2.6533 -2.6533 -2.1372 -2.1372 -1.9903 -1.9903 -0.1504 -0.1504 -0.0403 -0.0403 0.5117 0.5117 0.8026 0.8026 3.5735 3.5735 3.8048 3.8048 9.3773 9.3773 9.4398 9.4398 k =-0.5000 0.3576 0.0695 ( 3908 PWs) bands (ev): -15.6575 -15.6575 -15.5137 -15.5137 -11.5449 -11.5449 -11.1706 -11.1706 -4.3396 -4.3396 -3.8645 -3.8645 -3.1323 -3.1323 -2.6394 -2.6394 -2.1460 -2.1460 -1.9953 -1.9953 -0.1731 -0.1731 -0.0474 -0.0474 0.5291 0.5291 0.8226 0.8226 3.5737 3.5737 3.8148 3.8148 9.3436 9.3436 9.4288 9.4288 k =-0.5000 0.3576 0.0579 ( 3906 PWs) bands (ev): -15.6600 -15.6600 -15.5108 -15.5108 -11.5518 -11.5518 -11.1636 -11.1636 -4.3464 -4.3464 -3.8528 -3.8528 -3.1395 -3.1395 -2.6274 -2.6274 -2.1536 -2.1536 -2.0001 -2.0001 -0.1929 -0.1929 -0.0531 -0.0531 0.5442 0.5442 0.8397 0.8397 3.5741 3.5741 3.8236 3.8236 9.3140 9.3140 9.4228 9.4228 k =-0.5000 0.3576 0.0463 ( 3902 PWs) bands (ev): -15.6621 -15.6621 -15.5085 -15.5085 -11.5575 -11.5575 -11.1578 -11.1578 -4.3520 -4.3520 -3.8429 -3.8429 -3.1454 -3.1454 -2.6173 -2.6173 -2.1599 -2.1599 -2.0044 -2.0044 -0.2094 -0.2094 -0.0576 -0.0576 0.5567 0.5567 0.8539 0.8539 3.5746 3.5746 3.8310 3.8310 9.2890 9.2890 9.4217 9.4217 k =-0.5000 0.3576 0.0347 ( 3902 PWs) bands (ev): -15.6637 -15.6637 -15.5066 -15.5066 -11.5619 -11.5619 -11.1533 -11.1533 -4.3564 -4.3564 -3.8351 -3.8351 -3.1500 -3.1500 -2.6093 -2.6093 -2.1649 -2.1649 -2.0079 -2.0079 -0.2225 -0.2225 -0.0609 -0.0609 0.5666 0.5666 0.8650 0.8650 3.5751 3.5751 3.8368 3.8368 9.2691 9.2691 9.4253 9.4253 k =-0.5000 0.3576 0.0232 ( 3898 PWs) bands (ev): -15.6649 -15.6649 -15.5053 -15.5053 -11.5651 -11.5651 -11.1501 -11.1501 -4.3596 -4.3596 -3.8294 -3.8294 -3.1533 -3.1533 -2.6035 -2.6035 -2.1686 -2.1686 -2.0105 -2.0105 -0.2320 -0.2320 -0.0633 -0.0633 0.5738 0.5738 0.8730 0.8730 3.5755 3.5755 3.8410 3.8410 9.2546 9.2546 9.4326 9.4326 k =-0.5000 0.3576 0.0116 ( 3898 PWs) bands (ev): -15.6656 -15.6656 -15.5045 -15.5045 -11.5671 -11.5671 -11.1481 -11.1481 -4.3615 -4.3615 -3.8260 -3.8260 -3.1553 -3.1553 -2.6000 -2.6000 -2.1708 -2.1708 -2.0122 -2.0122 -0.2377 -0.2377 -0.0646 -0.0646 0.5781 0.5781 0.8779 0.8779 3.5758 3.5758 3.8436 3.8436 9.2458 9.2458 9.4410 9.4410 k =-0.5000 0.3576 0.0000 ( 3896 PWs) bands (ev): -15.6658 -15.6658 -15.5042 -15.5042 -11.5677 -11.5677 -11.1474 -11.1474 -4.3621 -4.3621 -3.8249 -3.8249 -3.1559 -3.1559 -2.5988 -2.5988 -2.1715 -2.1715 -2.0127 -2.0127 -0.2396 -0.2396 -0.0651 -0.0651 0.5796 0.5796 0.8795 0.8795 3.5759 3.5759 3.8445 3.8445 9.2428 9.2428 9.4451 9.4451 k = 0.0000 0.0000 0.2317 ( 3906 PWs) bands (ev): -15.8264 -15.8264 -15.8261 -15.8261 -11.4714 -11.4714 -11.4711 -11.4711 -4.1620 -4.1620 -4.1617 -4.1617 -1.6035 -1.6035 -1.6032 -1.6032 -1.2930 -1.2930 -1.2927 -1.2927 0.2666 0.2666 0.2669 0.2669 0.8652 0.8652 0.8653 0.8653 3.7432 3.7432 3.7433 3.7433 8.3977 8.3977 8.3979 8.3979 k =-0.0096 0.0069 0.2317 ( 3906 PWs) bands (ev): -15.8262 -15.8262 -15.8259 -15.8259 -11.4713 -11.4713 -11.4710 -11.4710 -4.1621 -4.1621 -4.1617 -4.1617 -1.6047 -1.6047 -1.6031 -1.6031 -1.2956 -1.2956 -1.2938 -1.2938 0.2657 0.2657 0.2679 0.2679 0.8639 0.8639 0.8662 0.8662 3.7430 3.7430 3.7438 3.7438 8.3999 8.3999 8.4006 8.4006 k =-0.0192 0.0138 0.2317 ( 3906 PWs) bands (ev): -15.8255 -15.8255 -15.8252 -15.8252 -11.4710 -11.4710 -11.4707 -11.4707 -4.1622 -4.1622 -4.1618 -4.1618 -1.6070 -1.6070 -1.6038 -1.6038 -1.3019 -1.3019 -1.2984 -1.2984 0.2646 0.2646 0.2690 0.2690 0.8621 0.8621 0.8668 0.8668 3.7430 3.7430 3.7445 3.7445 8.4068 8.4068 8.4081 8.4081 k =-0.0288 0.0206 0.2317 ( 3918 PWs) bands (ev): -15.8245 -15.8245 -15.8242 -15.8242 -11.4705 -11.4705 -11.4702 -11.4702 -4.1624 -4.1624 -4.1619 -4.1619 -1.6105 -1.6105 -1.6056 -1.6056 -1.3119 -1.3119 -1.3065 -1.3065 0.2636 0.2636 0.2702 0.2702 0.8599 0.8599 0.8670 0.8670 3.7433 3.7433 3.7455 3.7455 8.4186 8.4186 8.4206 8.4206 k =-0.0385 0.0275 0.2317 ( 3908 PWs) bands (ev): -15.8230 -15.8230 -15.8227 -15.8227 -11.4698 -11.4698 -11.4695 -11.4695 -4.1626 -4.1626 -4.1621 -4.1621 -1.6150 -1.6150 -1.6084 -1.6084 -1.3255 -1.3255 -1.3181 -1.3181 0.2625 0.2625 0.2713 0.2713 0.8573 0.8573 0.8667 0.8667 3.7437 3.7437 3.7467 3.7467 8.4352 8.4352 8.4378 8.4378 k =-0.0481 0.0344 0.2317 ( 3904 PWs) bands (ev): -15.8212 -15.8212 -15.8209 -15.8209 -11.4688 -11.4688 -11.4686 -11.4686 -4.1629 -4.1629 -4.1623 -4.1623 -1.6206 -1.6206 -1.6121 -1.6121 -1.3424 -1.3424 -1.3330 -1.3330 0.2613 0.2613 0.2724 0.2724 0.8543 0.8543 0.8661 0.8661 3.7444 3.7444 3.7480 3.7480 8.4566 8.4566 8.4599 8.4599 k =-0.0577 0.0413 0.2317 ( 3904 PWs) bands (ev): -15.8189 -15.8189 -15.8186 -15.8186 -11.4677 -11.4677 -11.4675 -11.4675 -4.1633 -4.1633 -4.1626 -4.1626 -1.6274 -1.6274 -1.6168 -1.6168 -1.3627 -1.3627 -1.3509 -1.3509 0.2599 0.2599 0.2732 0.2732 0.8509 0.8509 0.8652 0.8652 3.7452 3.7452 3.7495 3.7495 8.4828 8.4828 8.4867 8.4867 k =-0.0673 0.0481 0.2317 ( 3900 PWs) bands (ev): -15.8162 -15.8162 -15.8159 -15.8159 -11.4664 -11.4664 -11.4662 -11.4662 -4.1637 -4.1637 -4.1629 -4.1629 -1.6354 -1.6354 -1.6223 -1.6223 -1.3860 -1.3860 -1.3716 -1.3716 0.2583 0.2583 0.2739 0.2739 0.8472 0.8472 0.8638 0.8638 3.7461 3.7461 3.7511 3.7511 8.5137 8.5137 8.5182 8.5182 k =-0.0769 0.0550 0.2317 ( 3902 PWs) bands (ev): -15.8132 -15.8132 -15.8129 -15.8129 -11.4650 -11.4650 -11.4647 -11.4647 -4.1641 -4.1641 -4.1632 -4.1632 -1.6446 -1.6446 -1.6288 -1.6288 -1.4123 -1.4123 -1.3950 -1.3950 0.2563 0.2563 0.2741 0.2741 0.8431 0.8431 0.8621 0.8621 3.7471 3.7471 3.7527 3.7527 8.5493 8.5493 8.5544 8.5544 k =-0.0865 0.0619 0.2317 ( 3900 PWs) bands (ev): -15.8098 -15.8098 -15.8095 -15.8095 -11.4633 -11.4633 -11.4630 -11.4630 -4.1646 -4.1646 -4.1636 -4.1636 -1.6552 -1.6552 -1.6362 -1.6362 -1.4412 -1.4412 -1.4205 -1.4205 0.2538 0.2538 0.2740 0.2740 0.8386 0.8386 0.8600 0.8600 3.7481 3.7481 3.7542 3.7542 8.5895 8.5895 8.5952 8.5952 k =-0.0962 0.0688 0.2317 ( 3888 PWs) bands (ev): -15.8060 -15.8060 -15.8057 -15.8057 -11.4615 -11.4615 -11.4612 -11.4612 -4.1651 -4.1651 -4.1640 -4.1640 -1.6672 -1.6672 -1.6444 -1.6444 -1.4726 -1.4726 -1.4479 -1.4479 0.2509 0.2509 0.2733 0.2733 0.8339 0.8339 0.8576 0.8576 3.7491 3.7491 3.7557 3.7557 8.6342 8.6342 8.6405 8.6405 k =-0.1058 0.0757 0.2317 ( 3888 PWs) bands (ev): -15.8019 -15.8019 -15.8016 -15.8016 -11.4595 -11.4595 -11.4592 -11.4592 -4.1656 -4.1656 -4.1644 -4.1644 -1.6809 -1.6809 -1.6535 -1.6535 -1.5061 -1.5061 -1.4766 -1.4766 0.2474 0.2474 0.2721 0.2721 0.8288 0.8288 0.8548 0.8548 3.7499 3.7499 3.7571 3.7571 8.6834 8.6834 8.6902 8.6902 k =-0.1154 0.0825 0.2317 ( 3892 PWs) bands (ev): -15.7974 -15.7974 -15.7971 -15.7971 -11.4573 -11.4573 -11.4570 -11.4570 -4.1661 -4.1661 -4.1649 -4.1649 -1.6967 -1.6967 -1.6637 -1.6637 -1.5414 -1.5414 -1.5061 -1.5061 0.2433 0.2433 0.2703 0.2703 0.8234 0.8234 0.8517 0.8517 3.7507 3.7507 3.7582 3.7582 8.7369 8.7369 8.7443 8.7443 k =-0.1250 0.0894 0.2317 ( 3896 PWs) bands (ev): -15.7926 -15.7926 -15.7923 -15.7923 -11.4550 -11.4550 -11.4547 -11.4547 -4.1667 -4.1667 -4.1653 -4.1653 -1.7148 -1.7148 -1.6752 -1.6752 -1.5779 -1.5779 -1.5357 -1.5357 0.2386 0.2386 0.2678 0.2678 0.8176 0.8176 0.8481 0.8481 3.7512 3.7512 3.7592 3.7592 8.7945 8.7945 8.8025 8.8025 k =-0.1346 0.0963 0.2317 ( 3910 PWs) bands (ev): -15.7875 -15.7875 -15.7872 -15.7872 -11.4525 -11.4525 -11.4522 -11.4522 -4.1672 -4.1672 -4.1658 -4.1658 -1.7358 -1.7358 -1.6888 -1.6888 -1.6145 -1.6145 -1.5648 -1.5648 0.2333 0.2333 0.2646 0.2646 0.8115 0.8115 0.8441 0.8441 3.7516 3.7516 3.7598 3.7598 8.8562 8.8562 8.8646 8.8646 k =-0.1442 0.1032 0.2317 ( 3906 PWs) bands (ev): -15.7821 -15.7821 -15.7818 -15.7818 -11.4499 -11.4499 -11.4496 -11.4496 -4.1677 -4.1677 -4.1662 -4.1662 -1.7602 -1.7602 -1.7067 -1.7067 -1.6489 -1.6489 -1.5925 -1.5925 0.2274 0.2274 0.2608 0.2608 0.8050 0.8050 0.8397 0.8397 3.7516 3.7516 3.7601 3.7601 8.9216 8.9216 8.9306 8.9306 k =-0.1538 0.1100 0.2317 ( 3904 PWs) bands (ev): -15.7764 -15.7764 -15.7761 -15.7761 -11.4472 -11.4472 -11.4469 -11.4469 -4.1681 -4.1681 -4.1666 -4.1666 -1.7881 -1.7881 -1.7328 -1.7328 -1.6767 -1.6767 -1.6184 -1.6184 0.2209 0.2209 0.2563 0.2563 0.7981 0.7981 0.8348 0.8348 3.7514 3.7514 3.7601 3.7601 8.9906 8.9906 9.0000 9.0000 k =-0.1635 0.1169 0.2317 ( 3908 PWs) bands (ev): -15.7705 -15.7705 -15.7702 -15.7702 -11.4443 -11.4443 -11.4440 -11.4440 -4.1685 -4.1685 -4.1670 -4.1670 -1.8197 -1.8197 -1.7682 -1.7682 -1.6969 -1.6969 -1.6421 -1.6421 0.2139 0.2139 0.2512 0.2512 0.7908 0.7908 0.8294 0.8294 3.7508 3.7508 3.7597 3.7597 9.0628 9.0628 9.0727 9.0727 k =-0.1731 0.1238 0.2317 ( 3904 PWs) bands (ev): -15.7644 -15.7644 -15.7641 -15.7641 -11.4414 -11.4414 -11.4411 -11.4411 -4.1689 -4.1689 -4.1673 -4.1673 -1.8546 -1.8546 -1.8091 -1.8091 -1.7127 -1.7127 -1.6637 -1.6637 0.2064 0.2064 0.2456 0.2456 0.7831 0.7831 0.8234 0.8234 3.7499 3.7499 3.7589 3.7589 9.1378 9.1378 9.1482 9.1482 k =-0.1827 0.1307 0.2317 ( 3912 PWs) bands (ev): -15.7580 -15.7580 -15.7577 -15.7577 -11.4383 -11.4383 -11.4380 -11.4380 -4.1692 -4.1692 -4.1675 -4.1675 -1.8924 -1.8924 -1.8529 -1.8529 -1.7267 -1.7267 -1.6835 -1.6835 0.1986 0.1986 0.2394 0.2394 0.7749 0.7749 0.8168 0.8168 3.7485 3.7485 3.7577 3.7577 9.2152 9.2152 9.2261 9.2261 k =-0.1923 0.1375 0.2317 ( 3908 PWs) bands (ev): -15.7515 -15.7515 -15.7512 -15.7512 -11.4352 -11.4352 -11.4349 -11.4349 -4.1694 -4.1694 -4.1677 -4.1677 -1.9325 -1.9325 -1.8981 -1.8981 -1.7400 -1.7400 -1.7019 -1.7019 0.1904 0.1904 0.2329 0.2329 0.7662 0.7662 0.8096 0.8096 3.7468 3.7468 3.7560 3.7560 9.2946 9.2946 9.3059 9.3059 k =-0.2019 0.1444 0.2317 ( 3902 PWs) bands (ev): -15.7447 -15.7447 -15.7444 -15.7444 -11.4320 -11.4320 -11.4317 -11.4317 -4.1695 -4.1695 -4.1678 -4.1678 -1.9742 -1.9742 -1.9442 -1.9442 -1.7530 -1.7530 -1.7190 -1.7190 0.1819 0.1819 0.2259 0.2259 0.7570 0.7570 0.8018 0.8018 3.7448 3.7448 3.7539 3.7539 9.3751 9.3751 9.3869 9.3869 k =-0.2115 0.1513 0.2317 ( 3900 PWs) bands (ev): -15.7379 -15.7379 -15.7376 -15.7376 -11.4287 -11.4287 -11.4284 -11.4284 -4.1696 -4.1696 -4.1678 -4.1678 -2.0173 -2.0173 -1.9909 -1.9909 -1.7658 -1.7658 -1.7353 -1.7353 0.1733 0.1733 0.2188 0.2188 0.7472 0.7472 0.7933 0.7933 3.7423 3.7423 3.7514 3.7514 9.4560 9.4560 9.4683 9.4683 k =-0.2212 0.1582 0.2317 ( 3896 PWs) bands (ev): -15.7309 -15.7309 -15.7306 -15.7306 -11.4254 -11.4254 -11.4251 -11.4251 -4.1695 -4.1695 -4.1678 -4.1678 -2.0612 -2.0612 -2.0379 -2.0379 -1.7784 -1.7784 -1.7508 -1.7508 0.1647 0.1647 0.2114 0.2114 0.7368 0.7368 0.7840 0.7840 3.7395 3.7395 3.7485 3.7485 9.5364 9.5364 9.5491 9.5491 k =-0.2308 0.1651 0.2317 ( 3898 PWs) bands (ev): -15.7238 -15.7238 -15.7235 -15.7235 -11.4220 -11.4220 -11.4217 -11.4217 -4.1693 -4.1693 -4.1676 -4.1676 -2.1057 -2.1057 -2.0849 -2.0849 -1.7909 -1.7909 -1.7658 -1.7658 0.1561 0.1561 0.2040 0.2040 0.7258 0.7258 0.7741 0.7741 3.7363 3.7363 3.7452 3.7452 9.6150 9.6150 9.6281 9.6281 k =-0.2404 0.1719 0.2317 ( 3898 PWs) bands (ev): -15.7167 -15.7167 -15.7164 -15.7164 -11.4186 -11.4186 -11.4183 -11.4183 -4.1690 -4.1690 -4.1673 -4.1673 -2.1504 -2.1504 -2.1318 -2.1318 -1.8032 -1.8032 -1.7802 -1.7802 0.1476 0.1476 0.1966 0.1966 0.7141 0.7141 0.7634 0.7634 3.7327 3.7327 3.7415 3.7415 9.6903 9.6903 9.7037 9.7037 k =-0.2500 0.1788 0.2317 ( 3900 PWs) bands (ev): -15.7095 -15.7095 -15.7092 -15.7092 -11.4152 -11.4152 -11.4149 -11.4149 -4.1686 -4.1686 -4.1669 -4.1669 -2.1952 -2.1952 -2.1785 -2.1785 -1.8154 -1.8154 -1.7942 -1.7942 0.1394 0.1394 0.1894 0.1894 0.7019 0.7019 0.7520 0.7520 3.7289 3.7289 3.7375 3.7375 9.7606 9.7606 9.7742 9.7742 k =-0.2596 0.1857 0.2317 ( 3904 PWs) bands (ev): -15.7023 -15.7023 -15.7020 -15.7020 -11.4118 -11.4118 -11.4115 -11.4115 -4.1681 -4.1681 -4.1663 -4.1663 -2.2398 -2.2398 -2.2248 -2.2248 -1.8273 -1.8273 -1.8077 -1.8077 0.1315 0.1315 0.1824 0.1824 0.6889 0.6889 0.7399 0.7399 3.7248 3.7248 3.7332 3.7332 9.8239 9.8239 9.8376 9.8376 k =-0.2692 0.1926 0.2317 ( 3898 PWs) bands (ev): -15.6951 -15.6951 -15.6948 -15.6948 -11.4084 -11.4084 -11.4081 -11.4081 -4.1674 -4.1674 -4.1656 -4.1656 -2.2841 -2.2841 -2.2705 -2.2705 -1.8390 -1.8390 -1.8209 -1.8209 0.1240 0.1240 0.1757 0.1757 0.6754 0.6754 0.7270 0.7270 3.7204 3.7204 3.7286 3.7286 9.8784 9.8784 9.8919 9.8919 k =-0.2788 0.1994 0.2317 ( 3892 PWs) bands (ev): -15.6880 -15.6880 -15.6877 -15.6877 -11.4050 -11.4050 -11.4047 -11.4047 -4.1665 -4.1665 -4.1648 -4.1648 -2.3279 -2.3279 -2.3156 -2.3156 -1.8505 -1.8505 -1.8336 -1.8336 0.1170 0.1170 0.1694 0.1694 0.6612 0.6612 0.7134 0.7134 3.7158 3.7158 3.7238 3.7238 9.9222 9.9222 9.9353 9.9353 k =-0.2885 0.2063 0.2317 ( 3892 PWs) bands (ev): -15.6809 -15.6809 -15.6806 -15.6806 -11.4017 -11.4017 -11.4014 -11.4014 -4.1655 -4.1655 -4.1638 -4.1638 -2.3710 -2.3710 -2.3598 -2.3598 -1.8617 -1.8617 -1.8459 -1.8459 0.1105 0.1105 0.1636 0.1636 0.6464 0.6464 0.6991 0.6991 3.7110 3.7110 3.7187 3.7187 9.9545 9.9545 9.9669 9.9669 k =-0.2981 0.2132 0.2317 ( 3904 PWs) bands (ev): -15.6739 -15.6739 -15.6736 -15.6736 -11.3984 -11.3984 -11.3981 -11.3981 -4.1644 -4.1644 -4.1627 -4.1627 -2.4133 -2.4133 -2.4032 -2.4032 -1.8725 -1.8725 -1.8578 -1.8578 0.1047 0.1047 0.1583 0.1583 0.6311 0.6311 0.6842 0.6842 3.7061 3.7061 3.7135 3.7135 9.9750 9.9750 9.9865 9.9865 k =-0.3077 0.2201 0.2317 ( 3904 PWs) bands (ev): -15.6670 -15.6670 -15.6667 -15.6667 -11.3952 -11.3952 -11.3949 -11.3949 -4.1631 -4.1631 -4.1615 -4.1615 -2.4546 -2.4546 -2.4455 -2.4455 -1.8830 -1.8830 -1.8693 -1.8693 0.0997 0.0997 0.1537 0.1537 0.6152 0.6152 0.6687 0.6687 3.7011 3.7011 3.7082 3.7082 9.9848 9.9848 9.9953 9.9953 k =-0.3173 0.2270 0.2317 ( 3904 PWs) bands (ev): -15.6602 -15.6602 -15.6599 -15.6599 -11.3920 -11.3920 -11.3917 -11.3917 -4.1617 -4.1617 -4.1601 -4.1601 -2.4949 -2.4949 -2.4866 -2.4866 -1.8931 -1.8931 -1.8803 -1.8803 0.0953 0.0953 0.1497 0.1497 0.5989 0.5989 0.6526 0.6526 3.6960 3.6960 3.7028 3.7028 9.9856 9.9856 9.9950 9.9950 k =-0.3269 0.2338 0.2317 ( 3900 PWs) bands (ev): -15.6537 -15.6537 -15.6534 -15.6534 -11.3889 -11.3889 -11.3886 -11.3886 -4.1601 -4.1601 -4.1586 -4.1586 -2.5340 -2.5340 -2.5264 -2.5264 -1.9028 -1.9028 -1.8908 -1.8908 0.0919 0.0919 0.1465 0.1465 0.5821 0.5821 0.6360 0.6360 3.6909 3.6909 3.6974 3.6974 9.9791 9.9791 9.9875 9.9875 k =-0.3365 0.2407 0.2317 ( 3904 PWs) bands (ev): -15.6473 -15.6473 -15.6470 -15.6470 -11.3859 -11.3859 -11.3856 -11.3856 -4.1585 -4.1585 -4.1570 -4.1570 -2.5717 -2.5717 -2.5649 -2.5649 -1.9121 -1.9121 -1.9009 -1.9009 0.0892 0.0892 0.1440 0.1440 0.5649 0.5649 0.6189 0.6189 3.6858 3.6858 3.6920 3.6920 9.9674 9.9674 9.9749 9.9749 k =-0.3462 0.2476 0.2317 ( 3914 PWs) bands (ev): -15.6411 -15.6411 -15.6408 -15.6408 -11.3831 -11.3831 -11.3828 -11.3828 -4.1567 -4.1567 -4.1553 -4.1553 -2.6081 -2.6081 -2.6019 -2.6019 -1.9210 -1.9210 -1.9105 -1.9105 0.0875 0.0875 0.1423 0.1423 0.5475 0.5475 0.6014 0.6014 3.6807 3.6807 3.6866 3.6866 9.9519 9.9519 9.9586 9.9586 k =-0.3558 0.2545 0.2317 ( 3914 PWs) bands (ev): -15.6352 -15.6352 -15.6349 -15.6349 -11.3803 -11.3803 -11.3800 -11.3800 -4.1548 -4.1548 -4.1535 -4.1535 -2.6429 -2.6429 -2.6373 -2.6373 -1.9293 -1.9293 -1.9197 -1.9197 0.0867 0.0867 0.1415 0.1415 0.5298 0.5298 0.5837 0.5837 3.6758 3.6758 3.6813 3.6813 9.9341 9.9341 9.9400 9.9400 k =-0.3654 0.2613 0.2317 ( 3910 PWs) bands (ev): -15.6295 -15.6295 -15.6292 -15.6292 -11.3777 -11.3777 -11.3774 -11.3774 -4.1529 -4.1529 -4.1516 -4.1516 -2.6761 -2.6761 -2.6710 -2.6710 -1.9372 -1.9372 -1.9283 -1.9283 0.0869 0.0869 0.1414 0.1414 0.5120 0.5120 0.5656 0.5656 3.6710 3.6710 3.6762 3.6762 9.9149 9.9149 9.9201 9.9201 k =-0.3750 0.2682 0.2317 ( 3906 PWs) bands (ev): -15.6241 -15.6241 -15.6238 -15.6238 -11.3752 -11.3752 -11.3749 -11.3749 -4.1509 -4.1509 -4.1497 -4.1497 -2.7075 -2.7075 -2.7029 -2.7029 -1.9446 -1.9446 -1.9363 -1.9363 0.0880 0.0880 0.1422 0.1422 0.4942 0.4942 0.5475 0.5475 3.6664 3.6664 3.6712 3.6712 9.8952 9.8952 9.8998 9.8998 k =-0.3846 0.2751 0.2317 ( 3890 PWs) bands (ev): -15.6190 -15.6190 -15.6187 -15.6187 -11.3728 -11.3728 -11.3725 -11.3725 -4.1488 -4.1488 -4.1477 -4.1477 -2.7370 -2.7370 -2.7329 -2.7329 -1.9515 -1.9515 -1.9439 -1.9439 0.0901 0.0901 0.1438 0.1438 0.4764 0.4764 0.5292 0.5292 3.6620 3.6620 3.6664 3.6664 9.8755 9.8755 9.8797 9.8797 k =-0.3942 0.2820 0.2317 ( 3892 PWs) bands (ev): -15.6143 -15.6143 -15.6140 -15.6140 -11.3706 -11.3706 -11.3703 -11.3703 -4.1468 -4.1468 -4.1458 -4.1458 -2.7646 -2.7646 -2.7610 -2.7610 -1.9578 -1.9578 -1.9509 -1.9509 0.0932 0.0932 0.1460 0.1460 0.4590 0.4590 0.5110 0.5110 3.6578 3.6578 3.6619 3.6619 9.8564 9.8564 9.8601 9.8601 k =-0.4038 0.2888 0.2317 ( 3904 PWs) bands (ev): -15.6099 -15.6099 -15.6096 -15.6096 -11.3686 -11.3686 -11.3683 -11.3683 -4.1448 -4.1448 -4.1439 -4.1439 -2.7902 -2.7902 -2.7870 -2.7870 -1.9637 -1.9637 -1.9574 -1.9574 0.0971 0.0971 0.1489 0.1489 0.4419 0.4419 0.4929 0.4929 3.6539 3.6539 3.6576 3.6576 9.8382 9.8382 9.8415 9.8415 k =-0.4135 0.2957 0.2317 ( 3910 PWs) bands (ev): -15.6058 -15.6058 -15.6055 -15.6055 -11.3667 -11.3667 -11.3664 -11.3664 -4.1429 -4.1429 -4.1420 -4.1420 -2.8136 -2.8136 -2.8108 -2.8108 -1.9689 -1.9689 -1.9633 -1.9633 0.1019 0.1019 0.1524 0.1524 0.4254 0.4254 0.4751 0.4751 3.6503 3.6503 3.6536 3.6536 9.8212 9.8212 9.8241 9.8241 k =-0.4231 0.3026 0.2317 ( 3902 PWs) bands (ev): -15.6022 -15.6022 -15.6019 -15.6019 -11.3650 -11.3650 -11.3647 -11.3647 -4.1410 -4.1410 -4.1402 -4.1402 -2.8348 -2.8348 -2.8324 -2.8324 -1.9736 -1.9736 -1.9686 -1.9686 0.1075 0.1075 0.1562 0.1562 0.4097 0.4097 0.4576 0.4576 3.6470 3.6470 3.6500 3.6500 9.8056 9.8056 9.8081 9.8081 k =-0.4327 0.3095 0.2317 ( 3906 PWs) bands (ev): -15.5989 -15.5989 -15.5986 -15.5986 -11.3635 -11.3635 -11.3632 -11.3632 -4.1393 -4.1393 -4.1385 -4.1385 -2.8538 -2.8538 -2.8516 -2.8516 -1.9777 -1.9777 -1.9734 -1.9734 0.1139 0.1139 0.1601 0.1601 0.3951 0.3951 0.4407 0.4407 3.6441 3.6441 3.6467 3.6467 9.7916 9.7916 9.7937 9.7937 k =-0.4423 0.3164 0.2317 ( 3914 PWs) bands (ev): -15.5961 -15.5961 -15.5958 -15.5958 -11.3622 -11.3622 -11.3619 -11.3619 -4.1377 -4.1377 -4.1370 -4.1370 -2.8703 -2.8703 -2.8685 -2.8685 -1.9813 -1.9813 -1.9775 -1.9775 0.1208 0.1208 0.1639 0.1639 0.3819 0.3819 0.4244 0.4244 3.6415 3.6415 3.6437 3.6437 9.7792 9.7792 9.7810 9.7810 k =-0.4519 0.3232 0.2317 ( 3918 PWs) bands (ev): -15.5936 -15.5936 -15.5933 -15.5933 -11.3611 -11.3611 -11.3608 -11.3608 -4.1363 -4.1363 -4.1357 -4.1357 -2.8844 -2.8844 -2.8829 -2.8829 -1.9842 -1.9842 -1.9811 -1.9811 0.1282 0.1282 0.1673 0.1673 0.3706 0.3706 0.4091 0.4091 3.6393 3.6393 3.6412 3.6412 9.7686 9.7686 9.7701 9.7701 k =-0.4615 0.3301 0.2317 ( 3910 PWs) bands (ev): -15.5916 -15.5916 -15.5913 -15.5913 -11.3602 -11.3602 -11.3599 -11.3599 -4.1351 -4.1351 -4.1346 -4.1346 -2.8960 -2.8960 -2.8948 -2.8948 -1.9866 -1.9866 -1.9841 -1.9841 0.1359 0.1359 0.1697 0.1697 0.3615 0.3615 0.3949 0.3949 3.6376 3.6376 3.6391 3.6391 9.7599 9.7599 9.7611 9.7611 k =-0.4712 0.3370 0.2317 ( 3910 PWs) bands (ev): -15.5901 -15.5901 -15.5898 -15.5898 -11.3594 -11.3594 -11.3592 -11.3592 -4.1341 -4.1341 -4.1337 -4.1337 -2.9050 -2.9050 -2.9042 -2.9042 -1.9884 -1.9884 -1.9865 -1.9865 0.1437 0.1437 0.1708 0.1708 0.3553 0.3553 0.3821 0.3821 3.6362 3.6362 3.6374 3.6374 9.7531 9.7531 9.7540 9.7540 k =-0.4808 0.3439 0.2317 ( 3912 PWs) bands (ev): -15.5889 -15.5889 -15.5886 -15.5886 -11.3589 -11.3589 -11.3586 -11.3586 -4.1334 -4.1334 -4.1330 -4.1330 -2.9115 -2.9115 -2.9109 -2.9109 -1.9896 -1.9896 -1.9883 -1.9883 0.1511 0.1511 0.1702 0.1702 0.3521 0.3521 0.3710 0.3710 3.6353 3.6353 3.6361 3.6361 9.7483 9.7483 9.7489 9.7489 k =-0.4904 0.3507 0.2317 ( 3912 PWs) bands (ev): -15.5883 -15.5883 -15.5880 -15.5880 -11.3586 -11.3586 -11.3583 -11.3583 -4.1330 -4.1330 -4.1326 -4.1326 -2.9153 -2.9153 -2.9150 -2.9150 -1.9902 -1.9902 -1.9895 -1.9895 0.1578 0.1578 0.1677 0.1677 0.3523 0.3523 0.3621 0.3621 3.6348 3.6348 3.6352 3.6352 9.7454 9.7454 9.7457 9.7457 k =-0.5000 0.3576 0.2317 ( 3916 PWs) bands (ev): -15.5880 -15.5880 -15.5877 -15.5877 -11.3585 -11.3585 -11.3582 -11.3582 -4.1329 -4.1329 -4.1325 -4.1325 -2.9166 -2.9166 -2.9164 -2.9164 -1.9903 -1.9903 -1.9900 -1.9900 0.1634 0.1634 0.1636 0.1636 0.3556 0.3556 0.3558 0.3558 3.6347 3.6347 3.6349 3.6349 9.7445 9.7445 9.7446 9.7446 Writing output data file Cl2.save init_run : 0.13s CPU 0.30s WALL ( 1 calls) electrons : 93.94s CPU 96.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 93.93s CPU 96.92s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 406 calls) cegterg : 86.75s CPU 88.17s WALL ( 614 calls) Called by sum_band: Called by *egterg: h_psi : 41.67s CPU 43.41s WALL ( 10025 calls) s_psi : 3.84s CPU 3.92s WALL ( 10025 calls) g_psi : 0.18s CPU 0.18s WALL ( 9005 calls) cdiaghg : 35.78s CPU 35.07s WALL ( 9411 calls) cegterg:over : 3.44s CPU 3.46s WALL ( 9005 calls) cegterg:upda : 2.66s CPU 2.95s WALL ( 9005 calls) cegterg:last : 1.52s CPU 1.81s WALL ( 1433 calls) cdiaghg:chol : 1.92s CPU 1.94s WALL ( 9411 calls) cdiaghg:inve : 0.80s CPU 0.79s WALL ( 9411 calls) cdiaghg:para : 2.04s CPU 2.14s WALL ( 18822 calls) Called by h_psi: h_psi:vloc : 32.70s CPU 34.17s WALL ( 10025 calls) h_psi:vnl : 8.82s CPU 9.08s WALL ( 10025 calls) add_vuspsi : 4.42s CPU 4.65s WALL ( 10025 calls) General routines calbec : 4.37s CPU 4.41s WALL ( 10025 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 30.27s CPU 31.66s WALL ( 629556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.23s WALL ( 812 calls) Parallel routines fft_scatter : 15.35s CPU 16.14s WALL ( 629579 calls) PWSCF : 1m47.07s CPU 2m12.54s WALL This run was terminated on: 17: 8:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=