Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:42 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: ./SrxNiSbx2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 69 44 12 1408 712 114 Max 70 45 13 1409 729 117 Sum 2503 1597 467 50697 25889 4159 bravais-lattice index = 14 lattice parameter (alat) = 11.6917 a.u. unit-cell volume = 703.9497 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.691657 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.744812 celldm(5)= -0.744812 celldm(6)= 0.489624 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.489624 0.871934 0.000000 ) a(3) = ( -0.744812 -0.435967 0.505161 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.561538 0.989783 ) b(2) = ( 0.000000 1.146876 0.989783 ) b(3) = ( 0.000000 0.000000 1.979566 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Sb 5.00 121.76000 Sb( 1.00) Ni 10.00 58.69340 Ni( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0194075), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0388150), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0582225), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0776300), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0970375), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.1164451), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.1358526), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.1552601), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.1746676), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.1940751), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.2134826), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.2328901), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.2522976), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.2717051), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.2911126), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.3105201), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.3299277), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.3493352), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.3687427), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.3881502), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.4075577), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.4269652), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.4463727), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.4657802), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.4851877), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.5045952), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.5240027), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.5434102), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.5628178), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.5822253), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.6016328), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.6210403), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.6404478), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.6598553), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.6792628), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.6986703), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.7180778), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.7374853), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.7568928), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.7763003), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.7957078), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.8151154), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.8345229), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.8539304), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.8733379), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.8927454), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.9121529), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.9315604), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.9509679), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.9703754), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.9897829), wk = 0.0030303 k( 53) = ( 0.0000000 0.0000000 0.9897829), wk = 0.0030303 k( 54) = ( -0.0095172 0.0162594 0.9897829), wk = 0.0030303 k( 55) = ( -0.0190345 0.0325188 0.9897829), wk = 0.0030303 k( 56) = ( -0.0285517 0.0487782 0.9897829), wk = 0.0030303 k( 57) = ( -0.0380689 0.0650376 0.9897829), wk = 0.0030303 k( 58) = ( -0.0475862 0.0812969 0.9897829), wk = 0.0030303 k( 59) = ( -0.0571034 0.0975563 0.9897829), wk = 0.0030303 k( 60) = ( -0.0666207 0.1138157 0.9897829), wk = 0.0030303 k( 61) = ( -0.0761379 0.1300751 0.9897829), wk = 0.0030303 k( 62) = ( -0.0856551 0.1463345 0.9897829), wk = 0.0030303 k( 63) = ( -0.0856551 0.1463345 0.9897829), wk = 0.0030303 k( 64) = ( -0.0925609 0.1581324 0.9761126), wk = 0.0030303 k( 65) = ( -0.0994666 0.1699302 0.9624422), wk = 0.0030303 k( 66) = ( -0.1063724 0.1817281 0.9487718), wk = 0.0030303 k( 67) = ( -0.1132781 0.1935260 0.9351014), wk = 0.0030303 k( 68) = ( -0.1201839 0.2053239 0.9214310), wk = 0.0030303 k( 69) = ( -0.1270896 0.2171218 0.9077606), wk = 0.0030303 k( 70) = ( -0.1339954 0.2289197 0.8940902), wk = 0.0030303 k( 71) = ( -0.1409011 0.2407175 0.8804199), wk = 0.0030303 k( 72) = ( -0.1478069 0.2525154 0.8667495), wk = 0.0030303 k( 73) = ( -0.1547126 0.2643133 0.8530791), wk = 0.0030303 k( 74) = ( -0.1616183 0.2761112 0.8394087), wk = 0.0030303 k( 75) = ( -0.1685241 0.2879091 0.8257384), wk = 0.0030303 k( 76) = ( -0.1754298 0.2997069 0.8120680), wk = 0.0030303 k( 77) = ( -0.1823356 0.3115048 0.7983976), wk = 0.0030303 k( 78) = ( -0.1892414 0.3233027 0.7847272), wk = 0.0030303 k( 79) = ( -0.1961471 0.3351006 0.7710568), wk = 0.0030303 k( 80) = ( -0.2030528 0.3468985 0.7573864), wk = 0.0030303 k( 81) = ( -0.2099586 0.3586964 0.7437160), wk = 0.0030303 k( 82) = ( -0.2168643 0.3704942 0.7300457), wk = 0.0030303 k( 83) = ( -0.2237701 0.3822921 0.7163753), wk = 0.0030303 k( 84) = ( -0.2306758 0.3940900 0.7027049), wk = 0.0030303 k( 85) = ( -0.2375816 0.4058879 0.6890345), wk = 0.0030303 k( 86) = ( -0.2444873 0.4176858 0.6753641), wk = 0.0030303 k( 87) = ( -0.2513931 0.4294837 0.6616937), wk = 0.0030303 k( 88) = ( -0.2582988 0.4412815 0.6480234), wk = 0.0030303 k( 89) = ( -0.2652046 0.4530794 0.6343530), wk = 0.0030303 k( 90) = ( -0.2721103 0.4648773 0.6206826), wk = 0.0030303 k( 91) = ( -0.2790161 0.4766752 0.6070122), wk = 0.0030303 k( 92) = ( -0.2859218 0.4884731 0.5933418), wk = 0.0030303 k( 93) = ( -0.2928276 0.5002709 0.5796714), wk = 0.0030303 k( 94) = ( -0.2928276 0.5002709 0.5796714), wk = 0.0030303 k( 95) = ( -0.2858555 0.4883597 0.5658698), wk = 0.0030303 k( 96) = ( -0.2788834 0.4764485 0.5520680), wk = 0.0030303 k( 97) = ( -0.2719113 0.4645373 0.5382664), wk = 0.0030303 k( 98) = ( -0.2649392 0.4526261 0.5244646), wk = 0.0030303 k( 99) = ( -0.2579671 0.4407149 0.5106629), wk = 0.0030303 k( 100) = ( -0.2509950 0.4288037 0.4968612), wk = 0.0030303 k( 101) = ( -0.2440230 0.4168924 0.4830595), wk = 0.0030303 k( 102) = ( -0.2370509 0.4049812 0.4692579), wk = 0.0030303 k( 103) = ( -0.2300788 0.3930700 0.4554561), wk = 0.0030303 k( 104) = ( -0.2231067 0.3811588 0.4416544), wk = 0.0030303 k( 105) = ( -0.2161346 0.3692476 0.4278527), wk = 0.0030303 k( 106) = ( -0.2091626 0.3573364 0.4140510), wk = 0.0030303 k( 107) = ( -0.2021905 0.3454252 0.4002493), wk = 0.0030303 k( 108) = ( -0.1952184 0.3335140 0.3864476), wk = 0.0030303 k( 109) = ( -0.1882463 0.3216027 0.3726459), wk = 0.0030303 k( 110) = ( -0.1812742 0.3096915 0.3588442), wk = 0.0030303 k( 111) = ( -0.1743021 0.2977803 0.3450425), wk = 0.0030303 k( 112) = ( -0.1673300 0.2858691 0.3312408), wk = 0.0030303 k( 113) = ( -0.1603579 0.2739579 0.3174391), wk = 0.0030303 k( 114) = ( -0.1533859 0.2620467 0.3036374), wk = 0.0030303 k( 115) = ( -0.1464138 0.2501355 0.2898357), wk = 0.0030303 k( 116) = ( -0.1394417 0.2382243 0.2760340), wk = 0.0030303 k( 117) = ( -0.1324696 0.2263130 0.2622323), wk = 0.0030303 k( 118) = ( -0.1254975 0.2144018 0.2484306), wk = 0.0030303 k( 119) = ( -0.1185254 0.2024906 0.2346289), wk = 0.0030303 k( 120) = ( -0.1115534 0.1905794 0.2208272), wk = 0.0030303 k( 121) = ( -0.1045813 0.1786682 0.2070255), wk = 0.0030303 k( 122) = ( -0.0976092 0.1667570 0.1932238), wk = 0.0030303 k( 123) = ( -0.0906371 0.1548458 0.1794221), wk = 0.0030303 k( 124) = ( -0.0836650 0.1429346 0.1656204), wk = 0.0030303 k( 125) = ( -0.0766929 0.1310233 0.1518187), wk = 0.0030303 k( 126) = ( -0.0697209 0.1191121 0.1380170), wk = 0.0030303 k( 127) = ( -0.0627488 0.1072009 0.1242153), wk = 0.0030303 k( 128) = ( -0.0557767 0.0952897 0.1104136), wk = 0.0030303 k( 129) = ( -0.0488046 0.0833785 0.0966119), wk = 0.0030303 k( 130) = ( -0.0418325 0.0714673 0.0828102), wk = 0.0030303 k( 131) = ( -0.0348604 0.0595561 0.0690085), wk = 0.0030303 k( 132) = ( -0.0278883 0.0476449 0.0552068), wk = 0.0030303 k( 133) = ( -0.0209163 0.0357336 0.0414051), wk = 0.0030303 k( 134) = ( -0.0139442 0.0238224 0.0276034), wk = 0.0030303 k( 135) = ( -0.0069721 0.0119112 0.0138017), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 138) = ( 0.0166667 0.0097556 0.0000000), wk = 0.0030303 k( 139) = ( 0.0333333 0.0195113 0.0000000), wk = 0.0030303 k( 140) = ( 0.0500000 0.0292669 0.0000000), wk = 0.0030303 k( 141) = ( 0.0666667 0.0390225 0.0000000), wk = 0.0030303 k( 142) = ( 0.0833333 0.0487782 0.0000000), wk = 0.0030303 k( 143) = ( 0.1000000 0.0585338 0.0000000), wk = 0.0030303 k( 144) = ( 0.1166667 0.0682894 0.0000000), wk = 0.0030303 k( 145) = ( 0.1333333 0.0780451 0.0000000), wk = 0.0030303 k( 146) = ( 0.1500000 0.0878007 0.0000000), wk = 0.0030303 k( 147) = ( 0.1666667 0.0975563 0.0000000), wk = 0.0030303 k( 148) = ( 0.1833333 0.1073120 0.0000000), wk = 0.0030303 k( 149) = ( 0.2000000 0.1170676 0.0000000), wk = 0.0030303 k( 150) = ( 0.2166667 0.1268232 0.0000000), wk = 0.0030303 k( 151) = ( 0.2333333 0.1365789 0.0000000), wk = 0.0030303 k( 152) = ( 0.2500000 0.1463345 0.0000000), wk = 0.0030303 k( 153) = ( 0.2666667 0.1560901 0.0000000), wk = 0.0030303 k( 154) = ( 0.2833333 0.1658457 0.0000000), wk = 0.0030303 k( 155) = ( 0.3000000 0.1756014 0.0000000), wk = 0.0030303 k( 156) = ( 0.3166667 0.1853570 0.0000000), wk = 0.0030303 k( 157) = ( 0.3333333 0.1951126 0.0000000), wk = 0.0030303 k( 158) = ( 0.3500000 0.2048683 0.0000000), wk = 0.0030303 k( 159) = ( 0.3666667 0.2146239 0.0000000), wk = 0.0030303 k( 160) = ( 0.3833333 0.2243795 0.0000000), wk = 0.0030303 k( 161) = ( 0.4000000 0.2341352 0.0000000), wk = 0.0030303 k( 162) = ( 0.4166667 0.2438908 0.0000000), wk = 0.0030303 k( 163) = ( 0.4333333 0.2536464 0.0000000), wk = 0.0030303 k( 164) = ( 0.4500000 0.2634021 0.0000000), wk = 0.0030303 k( 165) = ( 0.4666667 0.2731577 0.0000000), wk = 0.0030303 k( 166) = ( 0.4833333 0.2829133 0.0000000), wk = 0.0030303 k( 167) = ( 0.5000000 0.2926690 0.0000000), wk = 0.0030303 k( 168) = ( 0.5000000 0.2926690 0.0000000), wk = 0.0030303 k( 169) = ( 0.4930943 0.3044669 0.0136704), wk = 0.0030303 k( 170) = ( 0.4861885 0.3162647 0.0273408), wk = 0.0030303 k( 171) = ( 0.4792828 0.3280626 0.0410111), wk = 0.0030303 k( 172) = ( 0.4723770 0.3398605 0.0546815), wk = 0.0030303 k( 173) = ( 0.4654713 0.3516584 0.0683519), wk = 0.0030303 k( 174) = ( 0.4585655 0.3634563 0.0820223), wk = 0.0030303 k( 175) = ( 0.4516598 0.3752542 0.0956927), wk = 0.0030303 k( 176) = ( 0.4447540 0.3870520 0.1093631), wk = 0.0030303 k( 177) = ( 0.4378483 0.3988499 0.1230334), wk = 0.0030303 k( 178) = ( 0.4309425 0.4106478 0.1367038), wk = 0.0030303 k( 179) = ( 0.4240368 0.4224457 0.1503742), wk = 0.0030303 k( 180) = ( 0.4171310 0.4342435 0.1640446), wk = 0.0030303 k( 181) = ( 0.4102253 0.4460414 0.1777150), wk = 0.0030303 k( 182) = ( 0.4033195 0.4578393 0.1913854), wk = 0.0030303 k( 183) = ( 0.3964138 0.4696372 0.2050557), wk = 0.0030303 k( 184) = ( 0.3895080 0.4814351 0.2187261), wk = 0.0030303 k( 185) = ( 0.3826023 0.4932330 0.2323965), wk = 0.0030303 k( 186) = ( 0.3756965 0.5050308 0.2460669), wk = 0.0030303 k( 187) = ( 0.3687908 0.5168287 0.2597373), wk = 0.0030303 k( 188) = ( 0.3618850 0.5286266 0.2734077), wk = 0.0030303 k( 189) = ( 0.3549793 0.5404245 0.2870780), wk = 0.0030303 k( 190) = ( 0.3480736 0.5522224 0.3007484), wk = 0.0030303 k( 191) = ( 0.3411678 0.5640203 0.3144188), wk = 0.0030303 k( 192) = ( 0.3342620 0.5758181 0.3280892), wk = 0.0030303 k( 193) = ( 0.3273563 0.5876160 0.3417596), wk = 0.0030303 k( 194) = ( 0.3204506 0.5994139 0.3554299), wk = 0.0030303 k( 195) = ( 0.3135448 0.6112118 0.3691003), wk = 0.0030303 k( 196) = ( 0.3066391 0.6230097 0.3827707), wk = 0.0030303 k( 197) = ( 0.2997333 0.6348075 0.3964411), wk = 0.0030303 k( 198) = ( 0.2928276 0.6466054 0.4101115), wk = 0.0030303 k( 199) = ( 0.2928276 0.6466054 0.4101115), wk = 0.0030303 k( 200) = ( 0.2745258 0.6420325 0.4154102), wk = 0.0030303 k( 201) = ( 0.2562241 0.6374595 0.4207090), wk = 0.0030303 k( 202) = ( 0.2379224 0.6328866 0.4260077), wk = 0.0030303 k( 203) = ( 0.2196207 0.6283136 0.4313065), wk = 0.0030303 k( 204) = ( 0.2013189 0.6237407 0.4366052), wk = 0.0030303 k( 205) = ( 0.1830172 0.6191677 0.4419040), wk = 0.0030303 k( 206) = ( 0.1647155 0.6145948 0.4472027), wk = 0.0030303 k( 207) = ( 0.1464138 0.6100218 0.4525015), wk = 0.0030303 k( 208) = ( 0.1281121 0.6054488 0.4578002), wk = 0.0030303 k( 209) = ( 0.1098103 0.6008759 0.4630990), wk = 0.0030303 k( 210) = ( 0.0915086 0.5963030 0.4683977), wk = 0.0030303 k( 211) = ( 0.0732069 0.5917300 0.4736965), wk = 0.0030303 k( 212) = ( 0.0549052 0.5871570 0.4789952), wk = 0.0030303 k( 213) = ( 0.0366035 0.5825841 0.4842940), wk = 0.0030303 k( 214) = ( 0.0183017 0.5780111 0.4895927), wk = 0.0030303 k( 215) = ( 0.0000000 0.5734382 0.4948915), wk = 0.0030303 k( 216) = ( 0.0000000 0.5734382 0.4948915), wk = 0.0030303 k( 217) = ( 0.0069444 0.5615742 0.5086384), wk = 0.0030303 k( 218) = ( 0.0138889 0.5497102 0.5223854), wk = 0.0030303 k( 219) = ( 0.0208333 0.5378462 0.5361324), wk = 0.0030303 k( 220) = ( 0.0277778 0.5259822 0.5498794), wk = 0.0030303 k( 221) = ( 0.0347222 0.5141182 0.5636264), wk = 0.0030303 k( 222) = ( 0.0416667 0.5022542 0.5773734), wk = 0.0030303 k( 223) = ( 0.0486111 0.4903902 0.5911204), wk = 0.0030303 k( 224) = ( 0.0555556 0.4785262 0.6048674), wk = 0.0030303 k( 225) = ( 0.0625000 0.4666623 0.6186143), wk = 0.0030303 k( 226) = ( 0.0694444 0.4547983 0.6323613), wk = 0.0030303 k( 227) = ( 0.0763889 0.4429343 0.6461083), wk = 0.0030303 k( 228) = ( 0.0833333 0.4310703 0.6598553), wk = 0.0030303 k( 229) = ( 0.0902778 0.4192063 0.6736023), wk = 0.0030303 k( 230) = ( 0.0972222 0.4073423 0.6873493), wk = 0.0030303 k( 231) = ( 0.1041667 0.3954783 0.7010963), wk = 0.0030303 k( 232) = ( 0.1111111 0.3836143 0.7148432), wk = 0.0030303 k( 233) = ( 0.1180556 0.3717503 0.7285902), wk = 0.0030303 k( 234) = ( 0.1250000 0.3598863 0.7423372), wk = 0.0030303 k( 235) = ( 0.1319444 0.3480224 0.7560842), wk = 0.0030303 k( 236) = ( 0.1388889 0.3361583 0.7698312), wk = 0.0030303 k( 237) = ( 0.1458333 0.3242944 0.7835782), wk = 0.0030303 k( 238) = ( 0.1527778 0.3124304 0.7973251), wk = 0.0030303 k( 239) = ( 0.1597222 0.3005664 0.8110721), wk = 0.0030303 k( 240) = ( 0.1666667 0.2887024 0.8248191), wk = 0.0030303 k( 241) = ( 0.1736111 0.2768384 0.8385661), wk = 0.0030303 k( 242) = ( 0.1805556 0.2649744 0.8523131), wk = 0.0030303 k( 243) = ( 0.1875000 0.2531104 0.8660601), wk = 0.0030303 k( 244) = ( 0.1944444 0.2412464 0.8798070), wk = 0.0030303 k( 245) = ( 0.2013889 0.2293824 0.8935540), wk = 0.0030303 k( 246) = ( 0.2083333 0.2175184 0.9073010), wk = 0.0030303 k( 247) = ( 0.2152778 0.2056544 0.9210480), wk = 0.0030303 k( 248) = ( 0.2222222 0.1937905 0.9347950), wk = 0.0030303 k( 249) = ( 0.2291667 0.1819265 0.9485420), wk = 0.0030303 k( 250) = ( 0.2361111 0.1700625 0.9622890), wk = 0.0030303 k( 251) = ( 0.2430556 0.1581985 0.9760360), wk = 0.0030303 k( 252) = ( 0.2500000 0.1463345 0.9897829), wk = 0.0030303 k( 253) = ( 0.2500000 0.1463345 0.9897829), wk = 0.0030303 k( 254) = ( 0.2638889 0.1544642 0.9803629), wk = 0.0030303 k( 255) = ( 0.2777778 0.1625939 0.9709430), wk = 0.0030303 k( 256) = ( 0.2916667 0.1707236 0.9615230), wk = 0.0030303 k( 257) = ( 0.3055556 0.1788533 0.9521030), wk = 0.0030303 k( 258) = ( 0.3194444 0.1869830 0.9426829), wk = 0.0030303 k( 259) = ( 0.3333333 0.1951126 0.9332629), wk = 0.0030303 k( 260) = ( 0.3472222 0.2032423 0.9238429), wk = 0.0030303 k( 261) = ( 0.3611111 0.2113720 0.9144229), wk = 0.0030303 k( 262) = ( 0.3750000 0.2195017 0.9050030), wk = 0.0030303 k( 263) = ( 0.3888889 0.2276314 0.8955830), wk = 0.0030303 k( 264) = ( 0.4027778 0.2357611 0.8861630), wk = 0.0030303 k( 265) = ( 0.4166667 0.2438908 0.8767430), wk = 0.0030303 k( 266) = ( 0.4305556 0.2520205 0.8673230), wk = 0.0030303 k( 267) = ( 0.4444444 0.2601502 0.8579030), wk = 0.0030303 k( 268) = ( 0.4583333 0.2682799 0.8484830), wk = 0.0030303 k( 269) = ( 0.4722222 0.2764096 0.8390630), wk = 0.0030303 k( 270) = ( 0.4861111 0.2845393 0.8296430), wk = 0.0030303 k( 271) = ( 0.5000000 0.2926690 0.8202230), wk = 0.0030303 k( 272) = ( 0.5000000 0.2926690 0.8202230), wk = 0.0030303 k( 273) = ( 0.5000000 0.2926690 0.8006939), wk = 0.0030303 k( 274) = ( 0.5000000 0.2926690 0.7811647), wk = 0.0030303 k( 275) = ( 0.5000000 0.2926690 0.7616356), wk = 0.0030303 k( 276) = ( 0.5000000 0.2926690 0.7421065), wk = 0.0030303 k( 277) = ( 0.5000000 0.2926690 0.7225774), wk = 0.0030303 k( 278) = ( 0.5000000 0.2926690 0.7030483), wk = 0.0030303 k( 279) = ( 0.5000000 0.2926690 0.6835191), wk = 0.0030303 k( 280) = ( 0.5000000 0.2926690 0.6639900), wk = 0.0030303 k( 281) = ( 0.5000000 0.2926690 0.6444609), wk = 0.0030303 k( 282) = ( 0.5000000 0.2926690 0.6249318), wk = 0.0030303 k( 283) = ( 0.5000000 0.2926690 0.6054027), wk = 0.0030303 k( 284) = ( 0.5000000 0.2926690 0.5858735), wk = 0.0030303 k( 285) = ( 0.5000000 0.2926690 0.5663444), wk = 0.0030303 k( 286) = ( 0.5000000 0.2926690 0.5468153), wk = 0.0030303 k( 287) = ( 0.5000000 0.2926690 0.5272862), wk = 0.0030303 k( 288) = ( 0.5000000 0.2926690 0.5077571), wk = 0.0030303 k( 289) = ( 0.5000000 0.2926690 0.4882280), wk = 0.0030303 k( 290) = ( 0.5000000 0.2926690 0.4686988), wk = 0.0030303 k( 291) = ( 0.5000000 0.2926690 0.4491697), wk = 0.0030303 k( 292) = ( 0.5000000 0.2926690 0.4296406), wk = 0.0030303 k( 293) = ( 0.5000000 0.2926690 0.4101115), wk = 0.0030303 k( 294) = ( 0.5000000 0.2926690 0.3905824), wk = 0.0030303 k( 295) = ( 0.5000000 0.2926690 0.3710533), wk = 0.0030303 k( 296) = ( 0.5000000 0.2926690 0.3515241), wk = 0.0030303 k( 297) = ( 0.5000000 0.2926690 0.3319950), wk = 0.0030303 k( 298) = ( 0.5000000 0.2926690 0.3124659), wk = 0.0030303 k( 299) = ( 0.5000000 0.2926690 0.2929368), wk = 0.0030303 k( 300) = ( 0.5000000 0.2926690 0.2734077), wk = 0.0030303 k( 301) = ( 0.5000000 0.2926690 0.2538785), wk = 0.0030303 k( 302) = ( 0.5000000 0.2926690 0.2343494), wk = 0.0030303 k( 303) = ( 0.5000000 0.2926690 0.2148203), wk = 0.0030303 k( 304) = ( 0.5000000 0.2926690 0.1952912), wk = 0.0030303 k( 305) = ( 0.5000000 0.2926690 0.1757621), wk = 0.0030303 k( 306) = ( 0.5000000 0.2926690 0.1562329), wk = 0.0030303 k( 307) = ( 0.5000000 0.2926690 0.1367038), wk = 0.0030303 k( 308) = ( 0.5000000 0.2926690 0.1171747), wk = 0.0030303 k( 309) = ( 0.5000000 0.2926690 0.0976456), wk = 0.0030303 k( 310) = ( 0.5000000 0.2926690 0.0781165), wk = 0.0030303 k( 311) = ( 0.5000000 0.2926690 0.0585874), wk = 0.0030303 k( 312) = ( 0.5000000 0.2926690 0.0390582), wk = 0.0030303 k( 313) = ( 0.5000000 0.2926690 0.0195291), wk = 0.0030303 k( 314) = ( 0.5000000 0.2926690 0.0000000), wk = 0.0030303 k( 315) = ( 0.0000000 0.0000000 0.9897829), wk = 0.0030303 k( 316) = ( 0.0166667 0.0097556 0.9897829), wk = 0.0030303 k( 317) = ( 0.0333333 0.0195113 0.9897829), wk = 0.0030303 k( 318) = ( 0.0500000 0.0292669 0.9897829), wk = 0.0030303 k( 319) = ( 0.0666667 0.0390225 0.9897829), wk = 0.0030303 k( 320) = ( 0.0833333 0.0487782 0.9897829), wk = 0.0030303 k( 321) = ( 0.1000000 0.0585338 0.9897829), wk = 0.0030303 k( 322) = ( 0.1166667 0.0682894 0.9897829), wk = 0.0030303 k( 323) = ( 0.1333333 0.0780451 0.9897829), wk = 0.0030303 k( 324) = ( 0.1500000 0.0878007 0.9897829), wk = 0.0030303 k( 325) = ( 0.1666667 0.0975563 0.9897829), wk = 0.0030303 k( 326) = ( 0.1833333 0.1073120 0.9897829), wk = 0.0030303 k( 327) = ( 0.2000000 0.1170676 0.9897829), wk = 0.0030303 k( 328) = ( 0.2166667 0.1268232 0.9897829), wk = 0.0030303 k( 329) = ( 0.2333333 0.1365789 0.9897829), wk = 0.0030303 k( 330) = ( 0.2500000 0.1463345 0.9897829), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.2941176), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.3431372), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 54) = ( -0.0095172 0.0095172 0.5000000), wk = 0.0030303 k( 55) = ( -0.0190345 0.0190345 0.5000000), wk = 0.0030303 k( 56) = ( -0.0285517 0.0285517 0.5000000), wk = 0.0030303 k( 57) = ( -0.0380689 0.0380689 0.5000000), wk = 0.0030303 k( 58) = ( -0.0475862 0.0475862 0.5000000), wk = 0.0030303 k( 59) = ( -0.0571034 0.0571034 0.5000000), wk = 0.0030303 k( 60) = ( -0.0666207 0.0666207 0.5000000), wk = 0.0030303 k( 61) = ( -0.0761379 0.0761379 0.5000000), wk = 0.0030303 k( 62) = ( -0.0856551 0.0856551 0.5000000), wk = 0.0030303 k( 63) = ( -0.0856551 0.0856551 0.5000000), wk = 0.0030303 k( 64) = ( -0.0925609 0.0925609 0.4930943), wk = 0.0030303 k( 65) = ( -0.0994666 0.0994666 0.4861885), wk = 0.0030303 k( 66) = ( -0.1063724 0.1063724 0.4792828), wk = 0.0030303 k( 67) = ( -0.1132781 0.1132781 0.4723770), wk = 0.0030303 k( 68) = ( -0.1201839 0.1201839 0.4654713), wk = 0.0030303 k( 69) = ( -0.1270896 0.1270896 0.4585655), wk = 0.0030303 k( 70) = ( -0.1339954 0.1339954 0.4516598), wk = 0.0030303 k( 71) = ( -0.1409011 0.1409011 0.4447540), wk = 0.0030303 k( 72) = ( -0.1478069 0.1478069 0.4378483), wk = 0.0030303 k( 73) = ( -0.1547126 0.1547126 0.4309425), wk = 0.0030303 k( 74) = ( -0.1616183 0.1616183 0.4240368), wk = 0.0030303 k( 75) = ( -0.1685241 0.1685241 0.4171310), wk = 0.0030303 k( 76) = ( -0.1754298 0.1754298 0.4102253), wk = 0.0030303 k( 77) = ( -0.1823356 0.1823356 0.4033195), wk = 0.0030303 k( 78) = ( -0.1892414 0.1892413 0.3964138), wk = 0.0030303 k( 79) = ( -0.1961471 0.1961471 0.3895080), wk = 0.0030303 k( 80) = ( -0.2030528 0.2030528 0.3826023), wk = 0.0030303 k( 81) = ( -0.2099586 0.2099586 0.3756965), wk = 0.0030303 k( 82) = ( -0.2168643 0.2168643 0.3687908), wk = 0.0030303 k( 83) = ( -0.2237701 0.2237701 0.3618850), wk = 0.0030303 k( 84) = ( -0.2306758 0.2306758 0.3549793), wk = 0.0030303 k( 85) = ( -0.2375816 0.2375816 0.3480736), wk = 0.0030303 k( 86) = ( -0.2444873 0.2444873 0.3411678), wk = 0.0030303 k( 87) = ( -0.2513931 0.2513931 0.3342620), wk = 0.0030303 k( 88) = ( -0.2582988 0.2582988 0.3273563), wk = 0.0030303 k( 89) = ( -0.2652046 0.2652046 0.3204506), wk = 0.0030303 k( 90) = ( -0.2721103 0.2721103 0.3135448), wk = 0.0030303 k( 91) = ( -0.2790161 0.2790161 0.3066391), wk = 0.0030303 k( 92) = ( -0.2859218 0.2859218 0.2997333), wk = 0.0030303 k( 93) = ( -0.2928276 0.2928276 0.2928276), wk = 0.0030303 k( 94) = ( -0.2928276 0.2928276 0.2928276), wk = 0.0030303 k( 95) = ( -0.2858555 0.2858555 0.2858555), wk = 0.0030303 k( 96) = ( -0.2788834 0.2788834 0.2788834), wk = 0.0030303 k( 97) = ( -0.2719113 0.2719113 0.2719113), wk = 0.0030303 k( 98) = ( -0.2649392 0.2649392 0.2649392), wk = 0.0030303 k( 99) = ( -0.2579671 0.2579671 0.2579671), wk = 0.0030303 k( 100) = ( -0.2509950 0.2509950 0.2509950), wk = 0.0030303 k( 101) = ( -0.2440230 0.2440230 0.2440230), wk = 0.0030303 k( 102) = ( -0.2370509 0.2370509 0.2370509), wk = 0.0030303 k( 103) = ( -0.2300788 0.2300788 0.2300788), wk = 0.0030303 k( 104) = ( -0.2231067 0.2231067 0.2231067), wk = 0.0030303 k( 105) = ( -0.2161346 0.2161346 0.2161346), wk = 0.0030303 k( 106) = ( -0.2091626 0.2091625 0.2091626), wk = 0.0030303 k( 107) = ( -0.2021905 0.2021905 0.2021905), wk = 0.0030303 k( 108) = ( -0.1952184 0.1952184 0.1952184), wk = 0.0030303 k( 109) = ( -0.1882463 0.1882463 0.1882463), wk = 0.0030303 k( 110) = ( -0.1812742 0.1812742 0.1812742), wk = 0.0030303 k( 111) = ( -0.1743021 0.1743021 0.1743021), wk = 0.0030303 k( 112) = ( -0.1673300 0.1673300 0.1673300), wk = 0.0030303 k( 113) = ( -0.1603579 0.1603579 0.1603579), wk = 0.0030303 k( 114) = ( -0.1533859 0.1533859 0.1533859), wk = 0.0030303 k( 115) = ( -0.1464138 0.1464138 0.1464138), wk = 0.0030303 k( 116) = ( -0.1394417 0.1394417 0.1394417), wk = 0.0030303 k( 117) = ( -0.1324696 0.1324696 0.1324696), wk = 0.0030303 k( 118) = ( -0.1254975 0.1254975 0.1254975), wk = 0.0030303 k( 119) = ( -0.1185254 0.1185254 0.1185254), wk = 0.0030303 k( 120) = ( -0.1115534 0.1115534 0.1115534), wk = 0.0030303 k( 121) = ( -0.1045813 0.1045813 0.1045813), wk = 0.0030303 k( 122) = ( -0.0976092 0.0976092 0.0976092), wk = 0.0030303 k( 123) = ( -0.0906371 0.0906371 0.0906371), wk = 0.0030303 k( 124) = ( -0.0836650 0.0836650 0.0836650), wk = 0.0030303 k( 125) = ( -0.0766929 0.0766929 0.0766929), wk = 0.0030303 k( 126) = ( -0.0697209 0.0697208 0.0697209), wk = 0.0030303 k( 127) = ( -0.0627488 0.0627488 0.0627488), wk = 0.0030303 k( 128) = ( -0.0557767 0.0557767 0.0557767), wk = 0.0030303 k( 129) = ( -0.0488046 0.0488046 0.0488046), wk = 0.0030303 k( 130) = ( -0.0418325 0.0418325 0.0418325), wk = 0.0030303 k( 131) = ( -0.0348604 0.0348604 0.0348604), wk = 0.0030303 k( 132) = ( -0.0278883 0.0278883 0.0278883), wk = 0.0030303 k( 133) = ( -0.0209163 0.0209162 0.0209163), wk = 0.0030303 k( 134) = ( -0.0139442 0.0139442 0.0139442), wk = 0.0030303 k( 135) = ( -0.0069721 0.0069721 0.0069721), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 138) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0030303 k( 139) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0030303 k( 140) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0030303 k( 141) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0030303 k( 142) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0030303 k( 143) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0030303 k( 144) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0030303 k( 145) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0030303 k( 146) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0030303 k( 147) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0030303 k( 148) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0030303 k( 149) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0030303 k( 150) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0030303 k( 151) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0030303 k( 152) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030303 k( 153) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0030303 k( 154) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0030303 k( 155) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0030303 k( 156) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0030303 k( 157) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0030303 k( 158) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0030303 k( 159) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0030303 k( 160) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0030303 k( 161) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0030303 k( 162) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0030303 k( 163) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0030303 k( 164) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0030303 k( 165) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0030303 k( 166) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0030303 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 169) = ( 0.4930943 0.5069057 -0.4930943), wk = 0.0030303 k( 170) = ( 0.4861885 0.5138115 -0.4861885), wk = 0.0030303 k( 171) = ( 0.4792828 0.5207172 -0.4792828), wk = 0.0030303 k( 172) = ( 0.4723770 0.5276230 -0.4723770), wk = 0.0030303 k( 173) = ( 0.4654713 0.5345287 -0.4654713), wk = 0.0030303 k( 174) = ( 0.4585655 0.5414345 -0.4585655), wk = 0.0030303 k( 175) = ( 0.4516598 0.5483402 -0.4516598), wk = 0.0030303 k( 176) = ( 0.4447540 0.5552460 -0.4447540), wk = 0.0030303 k( 177) = ( 0.4378483 0.5621517 -0.4378483), wk = 0.0030303 k( 178) = ( 0.4309425 0.5690575 -0.4309425), wk = 0.0030303 k( 179) = ( 0.4240368 0.5759632 -0.4240368), wk = 0.0030303 k( 180) = ( 0.4171310 0.5828690 -0.4171310), wk = 0.0030303 k( 181) = ( 0.4102253 0.5897747 -0.4102253), wk = 0.0030303 k( 182) = ( 0.4033195 0.5966805 -0.4033195), wk = 0.0030303 k( 183) = ( 0.3964138 0.6035862 -0.3964138), wk = 0.0030303 k( 184) = ( 0.3895080 0.6104920 -0.3895080), wk = 0.0030303 k( 185) = ( 0.3826023 0.6173977 -0.3826023), wk = 0.0030303 k( 186) = ( 0.3756965 0.6243035 -0.3756965), wk = 0.0030303 k( 187) = ( 0.3687908 0.6312092 -0.3687908), wk = 0.0030303 k( 188) = ( 0.3618850 0.6381150 -0.3618850), wk = 0.0030303 k( 189) = ( 0.3549793 0.6450207 -0.3549793), wk = 0.0030303 k( 190) = ( 0.3480736 0.6519265 -0.3480736), wk = 0.0030303 k( 191) = ( 0.3411678 0.6588322 -0.3411678), wk = 0.0030303 k( 192) = ( 0.3342620 0.6657379 -0.3342620), wk = 0.0030303 k( 193) = ( 0.3273563 0.6726437 -0.3273563), wk = 0.0030303 k( 194) = ( 0.3204506 0.6795494 -0.3204506), wk = 0.0030303 k( 195) = ( 0.3135448 0.6864552 -0.3135448), wk = 0.0030303 k( 196) = ( 0.3066391 0.6933609 -0.3066391), wk = 0.0030303 k( 197) = ( 0.2997333 0.7002667 -0.2997333), wk = 0.0030303 k( 198) = ( 0.2928276 0.7071724 -0.2928276), wk = 0.0030303 k( 199) = ( 0.2928276 0.7071724 -0.2928276), wk = 0.0030303 k( 200) = ( 0.2745258 0.6942242 -0.2745258), wk = 0.0030303 k( 201) = ( 0.2562241 0.6812759 -0.2562241), wk = 0.0030303 k( 202) = ( 0.2379224 0.6683276 -0.2379224), wk = 0.0030303 k( 203) = ( 0.2196207 0.6553793 -0.2196207), wk = 0.0030303 k( 204) = ( 0.2013189 0.6424311 -0.2013190), wk = 0.0030303 k( 205) = ( 0.1830172 0.6294828 -0.1830172), wk = 0.0030303 k( 206) = ( 0.1647155 0.6165345 -0.1647155), wk = 0.0030303 k( 207) = ( 0.1464138 0.6035862 -0.1464138), wk = 0.0030303 k( 208) = ( 0.1281121 0.5906379 -0.1281121), wk = 0.0030303 k( 209) = ( 0.1098103 0.5776897 -0.1098103), wk = 0.0030303 k( 210) = ( 0.0915086 0.5647414 -0.0915086), wk = 0.0030303 k( 211) = ( 0.0732069 0.5517931 -0.0732069), wk = 0.0030303 k( 212) = ( 0.0549052 0.5388448 -0.0549052), wk = 0.0030303 k( 213) = ( 0.0366035 0.5258966 -0.0366034), wk = 0.0030303 k( 214) = ( 0.0183017 0.5129483 -0.0183017), wk = 0.0030303 k( 215) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 216) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 217) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030303 k( 218) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030303 k( 219) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030303 k( 220) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030303 k( 221) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030303 k( 222) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030303 k( 223) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030303 k( 224) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030303 k( 225) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030303 k( 226) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030303 k( 227) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030303 k( 228) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030303 k( 229) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030303 k( 230) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030303 k( 231) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030303 k( 232) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030303 k( 233) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030303 k( 234) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030303 k( 235) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030303 k( 236) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030303 k( 237) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030303 k( 238) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030303 k( 239) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030303 k( 240) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030303 k( 241) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030303 k( 242) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030303 k( 243) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030303 k( 244) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030303 k( 245) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030303 k( 246) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030303 k( 247) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030303 k( 248) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030303 k( 249) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030303 k( 250) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030303 k( 251) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030303 k( 252) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 253) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 254) = ( 0.2638889 0.2638889 0.2313525), wk = 0.0030303 k( 255) = ( 0.2777778 0.2777778 0.2127050), wk = 0.0030303 k( 256) = ( 0.2916667 0.2916667 0.1940575), wk = 0.0030303 k( 257) = ( 0.3055556 0.3055556 0.1754100), wk = 0.0030303 k( 258) = ( 0.3194444 0.3194444 0.1567625), wk = 0.0030303 k( 259) = ( 0.3333333 0.3333333 0.1381150), wk = 0.0030303 k( 260) = ( 0.3472222 0.3472222 0.1194674), wk = 0.0030303 k( 261) = ( 0.3611111 0.3611111 0.1008199), wk = 0.0030303 k( 262) = ( 0.3750000 0.3750000 0.0821724), wk = 0.0030303 k( 263) = ( 0.3888889 0.3888889 0.0635249), wk = 0.0030303 k( 264) = ( 0.4027778 0.4027778 0.0448774), wk = 0.0030303 k( 265) = ( 0.4166667 0.4166667 0.0262299), wk = 0.0030303 k( 266) = ( 0.4305556 0.4305556 0.0075824), wk = 0.0030303 k( 267) = ( 0.4444444 0.4444444 -0.0110651), wk = 0.0030303 k( 268) = ( 0.4583333 0.4583333 -0.0297126), wk = 0.0030303 k( 269) = ( 0.4722222 0.4722222 -0.0483601), wk = 0.0030303 k( 270) = ( 0.4861111 0.4861111 -0.0670076), wk = 0.0030303 k( 271) = ( 0.5000000 0.5000000 -0.0856551), wk = 0.0030303 k( 272) = ( 0.5000000 0.5000000 -0.0856551), wk = 0.0030303 k( 273) = ( 0.5000000 0.5000000 -0.0955205), wk = 0.0030303 k( 274) = ( 0.5000000 0.5000000 -0.1053858), wk = 0.0030303 k( 275) = ( 0.5000000 0.5000000 -0.1152512), wk = 0.0030303 k( 276) = ( 0.5000000 0.5000000 -0.1251165), wk = 0.0030303 k( 277) = ( 0.5000000 0.5000000 -0.1349819), wk = 0.0030303 k( 278) = ( 0.5000000 0.5000000 -0.1448473), wk = 0.0030303 k( 279) = ( 0.5000000 0.5000000 -0.1547126), wk = 0.0030303 k( 280) = ( 0.5000000 0.5000000 -0.1645780), wk = 0.0030303 k( 281) = ( 0.5000000 0.5000000 -0.1744433), wk = 0.0030303 k( 282) = ( 0.5000000 0.5000000 -0.1843087), wk = 0.0030303 k( 283) = ( 0.5000000 0.5000000 -0.1941740), wk = 0.0030303 k( 284) = ( 0.5000000 0.5000000 -0.2040394), wk = 0.0030303 k( 285) = ( 0.5000000 0.5000000 -0.2139047), wk = 0.0030303 k( 286) = ( 0.5000000 0.5000000 -0.2237701), wk = 0.0030303 k( 287) = ( 0.5000000 0.5000000 -0.2336354), wk = 0.0030303 k( 288) = ( 0.5000000 0.5000000 -0.2435008), wk = 0.0030303 k( 289) = ( 0.5000000 0.5000000 -0.2533662), wk = 0.0030303 k( 290) = ( 0.5000000 0.5000000 -0.2632315), wk = 0.0030303 k( 291) = ( 0.5000000 0.5000000 -0.2730969), wk = 0.0030303 k( 292) = ( 0.5000000 0.5000000 -0.2829622), wk = 0.0030303 k( 293) = ( 0.5000000 0.5000000 -0.2928276), wk = 0.0030303 k( 294) = ( 0.5000000 0.5000000 -0.3026929), wk = 0.0030303 k( 295) = ( 0.5000000 0.5000000 -0.3125583), wk = 0.0030303 k( 296) = ( 0.5000000 0.5000000 -0.3224236), wk = 0.0030303 k( 297) = ( 0.5000000 0.5000000 -0.3322890), wk = 0.0030303 k( 298) = ( 0.5000000 0.5000000 -0.3421543), wk = 0.0030303 k( 299) = ( 0.5000000 0.5000000 -0.3520197), wk = 0.0030303 k( 300) = ( 0.5000000 0.5000000 -0.3618850), wk = 0.0030303 k( 301) = ( 0.5000000 0.5000000 -0.3717504), wk = 0.0030303 k( 302) = ( 0.5000000 0.5000000 -0.3816157), wk = 0.0030303 k( 303) = ( 0.5000000 0.5000000 -0.3914811), wk = 0.0030303 k( 304) = ( 0.5000000 0.5000000 -0.4013465), wk = 0.0030303 k( 305) = ( 0.5000000 0.5000000 -0.4112118), wk = 0.0030303 k( 306) = ( 0.5000000 0.5000000 -0.4210772), wk = 0.0030303 k( 307) = ( 0.5000000 0.5000000 -0.4309425), wk = 0.0030303 k( 308) = ( 0.5000000 0.5000000 -0.4408079), wk = 0.0030303 k( 309) = ( 0.5000000 0.5000000 -0.4506732), wk = 0.0030303 k( 310) = ( 0.5000000 0.5000000 -0.4605386), wk = 0.0030303 k( 311) = ( 0.5000000 0.5000000 -0.4704039), wk = 0.0030303 k( 312) = ( 0.5000000 0.5000000 -0.4802693), wk = 0.0030303 k( 313) = ( 0.5000000 0.5000000 -0.4901347), wk = 0.0030303 k( 314) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 315) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 316) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0030303 k( 317) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0030303 k( 318) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030303 k( 319) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0030303 k( 320) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030303 k( 321) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030303 k( 322) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0030303 k( 323) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0030303 k( 324) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030303 k( 325) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030303 k( 326) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0030303 k( 327) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030303 k( 328) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0030303 k( 329) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0030303 k( 330) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 Dense grid: 50697 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 25889 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 180, 48) NL pseudopotentials 0.23 Mb ( 90, 170) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1409) G-vector shells 0.00 Mb ( 653) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 180, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrxNiSbx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 12.9 secs Computing kpt #: 15 total cpu time spent up to now is 13.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.6 secs Computing kpt #: 17 total cpu time spent up to now is 15.3 secs Computing kpt #: 18 total cpu time spent up to now is 16.0 secs Computing kpt #: 19 total cpu time spent up to now is 16.6 secs Computing kpt #: 20 total cpu time spent up to now is 17.3 secs Computing kpt #: 21 total cpu time spent up to now is 18.0 secs Computing kpt #: 22 total cpu time spent up to now is 18.7 secs Computing kpt #: 23 total cpu time spent up to now is 19.5 secs Computing kpt #: 24 total cpu time spent up to now is 20.3 secs Computing kpt #: 25 total cpu time spent up to now is 21.1 secs Computing kpt #: 26 total cpu time spent up to now is 22.0 secs Computing kpt #: 27 total cpu time spent up to now is 22.8 secs Computing kpt #: 28 total cpu time spent up to now is 23.5 secs Computing kpt #: 29 total cpu time spent up to now is 24.2 secs Computing kpt #: 30 total cpu time spent up to now is 24.8 secs Computing kpt #: 31 total cpu time spent up to now is 25.4 secs Computing kpt #: 32 total cpu time spent up to now is 26.0 secs Computing kpt #: 33 total cpu time spent up to now is 26.6 secs Computing kpt #: 34 total cpu time spent up to now is 27.1 secs Computing kpt #: 35 total cpu time spent up to now is 27.7 secs Computing kpt #: 36 total cpu time spent up to now is 28.3 secs Computing kpt #: 37 total cpu time spent up to now is 28.8 secs Computing kpt #: 38 total cpu time spent up to now is 29.4 secs Computing kpt #: 39 total cpu time spent up to now is 30.0 secs Computing kpt #: 40 total cpu time spent up to now is 31.0 secs Computing kpt #: 41 total cpu time spent up to now is 31.6 secs Computing kpt #: 42 total cpu time spent up to now is 32.3 secs Computing kpt #: 43 total cpu time spent up to now is 32.8 secs Computing kpt #: 44 total cpu time spent up to now is 33.5 secs Computing kpt #: 45 total cpu time spent up to now is 34.0 secs Computing kpt #: 46 total cpu time spent up to now is 34.6 secs Computing kpt #: 47 total cpu time spent up to now is 35.2 secs Computing kpt #: 48 total cpu time spent up to now is 35.8 secs Computing kpt #: 49 total cpu time spent up to now is 36.4 secs Computing kpt #: 50 total cpu time spent up to now is 37.0 secs Computing kpt #: 51 total cpu time spent up to now is 37.5 secs Computing kpt #: 52 total cpu time spent up to now is 38.0 secs Computing kpt #: 53 total cpu time spent up to now is 38.5 secs Computing kpt #: 54 total cpu time spent up to now is 39.0 secs Computing kpt #: 55 total cpu time spent up to now is 39.5 secs Computing kpt #: 56 total cpu time spent up to now is 40.1 secs Computing kpt #: 57 total cpu time spent up to now is 40.7 secs Computing kpt #: 58 total cpu time spent up to now is 41.4 secs Computing kpt #: 59 total cpu time spent up to now is 42.0 secs Computing kpt #: 60 total cpu time spent up to now is 42.6 secs Computing kpt #: 61 total cpu time spent up to now is 43.2 secs Computing kpt #: 62 total cpu time spent up to now is 43.8 secs Computing kpt #: 63 total cpu time spent up to now is 44.5 secs Computing kpt #: 64 total cpu time spent up to now is 45.1 secs Computing kpt #: 65 total cpu time spent up to now is 45.7 secs Computing kpt #: 66 total cpu time spent up to now is 46.3 secs Computing kpt #: 67 total cpu time spent up to now is 47.0 secs Computing kpt #: 68 total cpu time spent up to now is 47.6 secs Computing kpt #: 69 total cpu time spent up to now is 48.2 secs Computing kpt #: 70 total cpu time spent up to now is 48.9 secs Computing kpt #: 71 total cpu time spent up to now is 49.5 secs Computing kpt #: 72 total cpu time spent up to now is 50.2 secs Computing kpt #: 73 total cpu time spent up to now is 50.8 secs Computing kpt #: 74 total cpu time spent up to now is 51.4 secs Computing kpt #: 75 total cpu time spent up to now is 52.1 secs Computing kpt #: 76 total cpu time spent up to now is 52.7 secs Computing kpt #: 77 total cpu time spent up to now is 53.3 secs Computing kpt #: 78 total cpu time spent up to now is 54.0 secs Computing kpt #: 79 total cpu time spent up to now is 54.6 secs Computing kpt #: 80 total cpu time spent up to now is 55.2 secs Computing kpt #: 81 total cpu time spent up to now is 55.9 secs Computing kpt #: 82 total cpu time spent up to now is 56.5 secs Computing kpt #: 83 total cpu time spent up to now is 57.2 secs Computing kpt #: 84 total cpu time spent up to now is 57.8 secs Computing kpt #: 85 total cpu time spent up to now is 58.5 secs Computing kpt #: 86 total cpu time spent up to now is 59.2 secs Computing kpt #: 87 total cpu time spent up to now is 59.8 secs Computing kpt #: 88 total cpu time spent up to now is 60.5 secs Computing kpt #: 89 total cpu time spent up to now is 61.2 secs Computing kpt #: 90 total cpu time spent up to now is 62.0 secs Computing kpt #: 91 total cpu time spent up to now is 62.7 secs Computing kpt #: 92 total cpu time spent up to now is 63.4 secs Computing kpt #: 93 total cpu time spent up to now is 64.1 secs Computing kpt #: 94 total cpu time spent up to now is 64.8 secs Computing kpt #: 95 total cpu time spent up to now is 65.6 secs Computing kpt #: 96 total cpu time spent up to now is 66.3 secs Computing kpt #: 97 total cpu time spent up to now is 67.0 secs Computing kpt #: 98 total cpu time spent up to now is 67.7 secs Computing kpt #: 99 total cpu time spent up to now is 68.5 secs Computing kpt #: 100 total cpu time spent up to now is 69.2 secs Computing kpt #: 101 total cpu time spent up to now is 70.1 secs Computing kpt #: 102 total cpu time spent up to now is 70.9 secs Computing kpt #: 103 total cpu time spent up to now is 71.6 secs Computing kpt #: 104 total cpu time spent up to now is 72.4 secs Computing kpt #: 105 total cpu time spent up to now is 73.1 secs Computing kpt #: 106 total cpu time spent up to now is 73.9 secs Computing kpt #: 107 total cpu time spent up to now is 74.7 secs Computing kpt #: 108 total cpu time spent up to now is 75.5 secs Computing kpt #: 109 total cpu time spent up to now is 76.4 secs Computing kpt #: 110 total cpu time spent up to now is 77.2 secs Computing kpt #: 111 total cpu time spent up to now is 78.0 secs Computing kpt #: 112 total cpu time spent up to now is 78.9 secs Computing kpt #: 113 total cpu time spent up to now is 79.7 secs Computing kpt #: 114 total cpu time spent up to now is 80.6 secs Computing kpt #: 115 total cpu time spent up to now is 81.5 secs Computing kpt #: 116 total cpu time spent up to now is 82.5 secs Computing kpt #: 117 total cpu time spent up to now is 83.4 secs Computing kpt #: 118 total cpu time spent up to now is 84.1 secs Computing kpt #: 119 total cpu time spent up to now is 84.8 secs Computing kpt #: 120 total cpu time spent up to now is 85.4 secs Computing kpt #: 121 total cpu time spent up to now is 86.1 secs Computing kpt #: 122 total cpu time spent up to now is 86.7 secs Computing kpt #: 123 total cpu time spent up to now is 87.4 secs Computing kpt #: 124 total cpu time spent up to now is 88.0 secs Computing kpt #: 125 total cpu time spent up to now is 88.6 secs Computing kpt #: 126 total cpu time spent up to now is 89.3 secs Computing kpt #: 127 total cpu time spent up to now is 90.0 secs Computing kpt #: 128 total cpu time spent up to now is 90.9 secs Computing kpt #: 129 total cpu time spent up to now is 91.8 secs Computing kpt #: 130 total cpu time spent up to now is 92.6 secs Computing kpt #: 131 total cpu time spent up to now is 93.3 secs Computing kpt #: 132 total cpu time spent up to now is 94.0 secs Computing kpt #: 133 total cpu time spent up to now is 94.6 secs Computing kpt #: 134 total cpu time spent up to now is 95.2 secs Computing kpt #: 135 total cpu time spent up to now is 95.7 secs Computing kpt #: 136 total cpu time spent up to now is 96.2 secs Computing kpt #: 137 total cpu time spent up to now is 96.8 secs Computing kpt #: 138 total cpu time spent up to now is 97.3 secs Computing kpt #: 139 total cpu time spent up to now is 97.9 secs Computing kpt #: 140 total cpu time spent up to now is 98.5 secs Computing kpt #: 141 total cpu time spent up to now is 99.1 secs Computing kpt #: 142 total cpu time spent up to now is 99.8 secs Computing kpt #: 143 total cpu time spent up to now is 100.4 secs Computing kpt #: 144 total cpu time spent up to now is 101.0 secs Computing kpt #: 145 total cpu time spent up to now is 101.6 secs Computing kpt #: 146 total cpu time spent up to now is 102.2 secs Computing kpt #: 147 total cpu time spent up to now is 102.8 secs Computing kpt #: 148 total cpu time spent up to now is 103.4 secs Computing kpt #: 149 total cpu time spent up to now is 104.0 secs Computing kpt #: 150 total cpu time spent up to now is 104.7 secs Computing kpt #: 151 total cpu time spent up to now is 105.3 secs Computing kpt #: 152 total cpu time spent up to now is 105.9 secs Computing kpt #: 153 total cpu time spent up to now is 106.7 secs Computing kpt #: 154 total cpu time spent up to now is 107.4 secs Computing kpt #: 155 total cpu time spent up to now is 108.9 secs Computing kpt #: 156 total cpu time spent up to now is 109.6 secs Computing kpt #: 157 total cpu time spent up to now is 110.2 secs Computing kpt #: 158 total cpu time spent up to now is 110.8 secs Computing kpt #: 159 total cpu time spent up to now is 111.3 secs Computing kpt #: 160 total cpu time spent up to now is 111.8 secs Computing kpt #: 161 total cpu time spent up to now is 112.4 secs Computing kpt #: 162 total cpu time spent up to now is 112.9 secs Computing kpt #: 163 total cpu time spent up to now is 113.3 secs Computing kpt #: 164 total cpu time spent up to now is 113.8 secs Computing kpt #: 165 total cpu time spent up to now is 114.3 secs Computing kpt #: 166 total cpu time spent up to now is 114.8 secs Computing kpt #: 167 total cpu time spent up to now is 115.3 secs Computing kpt #: 168 total cpu time spent up to now is 115.8 secs Computing kpt #: 169 total cpu time spent up to now is 116.3 secs Computing kpt #: 170 total cpu time spent up to now is 116.8 secs Computing kpt #: 171 total cpu time spent up to now is 117.3 secs Computing kpt #: 172 total cpu time spent up to now is 117.9 secs Computing kpt #: 173 total cpu time spent up to now is 118.4 secs Computing kpt #: 174 total cpu time spent up to now is 119.0 secs Computing kpt #: 175 total cpu time spent up to now is 119.6 secs Computing kpt #: 176 total cpu time spent up to now is 120.3 secs Computing kpt #: 177 total cpu time spent up to now is 121.3 secs Computing kpt #: 178 total cpu time spent up to now is 122.0 secs Computing kpt #: 179 total cpu time spent up to now is 122.7 secs Computing kpt #: 180 total cpu time spent up to now is 123.4 secs Computing kpt #: 181 total cpu time spent up to now is 124.1 secs Computing kpt #: 182 total cpu time spent up to now is 124.8 secs Computing kpt #: 183 total cpu time spent up to now is 125.5 secs Computing kpt #: 184 total cpu time spent up to now is 126.2 secs Computing kpt #: 185 total cpu time spent up to now is 126.8 secs Computing kpt #: 186 total cpu time spent up to now is 127.5 secs Computing kpt #: 187 total cpu time spent up to now is 128.1 secs Computing kpt #: 188 total cpu time spent up to now is 128.7 secs Computing kpt #: 189 total cpu time spent up to now is 129.3 secs Computing kpt #: 190 total cpu time spent up to now is 130.0 secs Computing kpt #: 191 total cpu time spent up to now is 130.6 secs Computing kpt #: 192 total cpu time spent up to now is 131.3 secs Computing kpt #: 193 total cpu time spent up to now is 132.0 secs Computing kpt #: 194 total cpu time spent up to now is 132.7 secs Computing kpt #: 195 total cpu time spent up to now is 133.4 secs Computing kpt #: 196 total cpu time spent up to now is 134.1 secs Computing kpt #: 197 total cpu time spent up to now is 134.9 secs Computing kpt #: 198 total cpu time spent up to now is 135.6 secs Computing kpt #: 199 total cpu time spent up to now is 136.3 secs Computing kpt #: 200 total cpu time spent up to now is 137.0 secs Computing kpt #: 201 total cpu time spent up to now is 137.7 secs Computing kpt #: 202 total cpu time spent up to now is 138.3 secs Computing kpt #: 203 total cpu time spent up to now is 138.9 secs Computing kpt #: 204 total cpu time spent up to now is 139.5 secs Computing kpt #: 205 total cpu time spent up to now is 140.1 secs Computing kpt #: 206 total cpu time spent up to now is 140.6 secs Computing kpt #: 207 total cpu time spent up to now is 141.2 secs Computing kpt #: 208 total cpu time spent up to now is 141.8 secs Computing kpt #: 209 total cpu time spent up to now is 142.3 secs Computing kpt #: 210 total cpu time spent up to now is 142.9 secs Computing kpt #: 211 total cpu time spent up to now is 143.4 secs Computing kpt #: 212 total cpu time spent up to now is 144.0 secs Computing kpt #: 213 total cpu time spent up to now is 144.5 secs Computing kpt #: 214 total cpu time spent up to now is 145.0 secs Computing kpt #: 215 total cpu time spent up to now is 145.5 secs Computing kpt #: 216 total cpu time spent up to now is 146.0 secs Computing kpt #: 217 total cpu time spent up to now is 146.6 secs Computing kpt #: 218 total cpu time spent up to now is 147.3 secs Computing kpt #: 219 total cpu time spent up to now is 148.0 secs Computing kpt #: 220 total cpu time spent up to now is 148.6 secs Computing kpt #: 221 total cpu time spent up to now is 149.3 secs Computing kpt #: 222 total cpu time spent up to now is 150.0 secs Computing kpt #: 223 total cpu time spent up to now is 150.6 secs Computing kpt #: 224 total cpu time spent up to now is 151.4 secs Computing kpt #: 225 total cpu time spent up to now is 152.1 secs Computing kpt #: 226 total cpu time spent up to now is 153.1 secs Computing kpt #: 227 total cpu time spent up to now is 153.9 secs Computing kpt #: 228 total cpu time spent up to now is 154.8 secs Computing kpt #: 229 total cpu time spent up to now is 155.6 secs Computing kpt #: 230 total cpu time spent up to now is 156.7 secs Computing kpt #: 231 total cpu time spent up to now is 157.5 secs Computing kpt #: 232 total cpu time spent up to now is 158.3 secs Computing kpt #: 233 total cpu time spent up to now is 158.9 secs Computing kpt #: 234 total cpu time spent up to now is 159.6 secs Computing kpt #: 235 total cpu time spent up to now is 160.2 secs Computing kpt #: 236 total cpu time spent up to now is 160.9 secs Computing kpt #: 237 total cpu time spent up to now is 161.6 secs Computing kpt #: 238 total cpu time spent up to now is 162.3 secs Computing kpt #: 239 total cpu time spent up to now is 163.0 secs Computing kpt #: 240 total cpu time spent up to now is 163.7 secs Computing kpt #: 241 total cpu time spent up to now is 164.4 secs Computing kpt #: 242 total cpu time spent up to now is 165.1 secs Computing kpt #: 243 total cpu time spent up to now is 165.8 secs Computing kpt #: 244 total cpu time spent up to now is 166.5 secs Computing kpt #: 245 total cpu time spent up to now is 167.1 secs Computing kpt #: 246 total cpu time spent up to now is 167.8 secs Computing kpt #: 247 total cpu time spent up to now is 168.5 secs Computing kpt #: 248 total cpu time spent up to now is 169.2 secs Computing kpt #: 249 total cpu time spent up to now is 169.9 secs Computing kpt #: 250 total cpu time spent up to now is 170.7 secs Computing kpt #: 251 total cpu time spent up to now is 171.6 secs Computing kpt #: 252 total cpu time spent up to now is 172.5 secs Computing kpt #: 253 total cpu time spent up to now is 173.4 secs Computing kpt #: 254 total cpu time spent up to now is 174.1 secs Computing kpt #: 255 total cpu time spent up to now is 174.8 secs Computing kpt #: 256 total cpu time spent up to now is 175.5 secs Computing kpt #: 257 total cpu time spent up to now is 176.2 secs Computing kpt #: 258 total cpu time spent up to now is 176.8 secs Computing kpt #: 259 total cpu time spent up to now is 177.5 secs Computing kpt #: 260 total cpu time spent up to now is 178.1 secs Computing kpt #: 261 total cpu time spent up to now is 178.7 secs Computing kpt #: 262 total cpu time spent up to now is 179.3 secs Computing kpt #: 263 total cpu time spent up to now is 179.9 secs Computing kpt #: 264 total cpu time spent up to now is 180.5 secs Computing kpt #: 265 total cpu time spent up to now is 181.0 secs Computing kpt #: 266 total cpu time spent up to now is 181.7 secs Computing kpt #: 267 total cpu time spent up to now is 182.3 secs Computing kpt #: 268 total cpu time spent up to now is 182.9 secs Computing kpt #: 269 total cpu time spent up to now is 183.7 secs Computing kpt #: 270 total cpu time spent up to now is 184.3 secs Computing kpt #: 271 total cpu time spent up to now is 184.9 secs Computing kpt #: 272 total cpu time spent up to now is 185.5 secs Computing kpt #: 273 total cpu time spent up to now is 186.1 secs Computing kpt #: 274 total cpu time spent up to now is 186.8 secs Computing kpt #: 275 total cpu time spent up to now is 187.4 secs Computing kpt #: 276 total cpu time spent up to now is 188.0 secs Computing kpt #: 277 total cpu time spent up to now is 188.7 secs Computing kpt #: 278 total cpu time spent up to now is 189.3 secs Computing kpt #: 279 total cpu time spent up to now is 189.9 secs Computing kpt #: 280 total cpu time spent up to now is 190.6 secs Computing kpt #: 281 total cpu time spent up to now is 191.2 secs Computing kpt #: 282 total cpu time spent up to now is 191.8 secs Computing kpt #: 283 total cpu time spent up to now is 192.5 secs Computing kpt #: 284 total cpu time spent up to now is 193.1 secs Computing kpt #: 285 total cpu time spent up to now is 193.7 secs Computing kpt #: 286 total cpu time spent up to now is 194.3 secs Computing kpt #: 287 total cpu time spent up to now is 195.0 secs Computing kpt #: 288 total cpu time spent up to now is 195.6 secs Computing kpt #: 289 total cpu time spent up to now is 196.2 secs Computing kpt #: 290 total cpu time spent up to now is 196.9 secs Computing kpt #: 291 total cpu time spent up to now is 197.5 secs Computing kpt #: 292 total cpu time spent up to now is 198.1 secs Computing kpt #: 293 total cpu time spent up to now is 198.8 secs Computing kpt #: 294 total cpu time spent up to now is 199.4 secs Computing kpt #: 295 total cpu time spent up to now is 200.0 secs Computing kpt #: 296 total cpu time spent up to now is 200.6 secs Computing kpt #: 297 total cpu time spent up to now is 201.2 secs Computing kpt #: 298 total cpu time spent up to now is 201.9 secs Computing kpt #: 299 total cpu time spent up to now is 202.6 secs Computing kpt #: 300 total cpu time spent up to now is 203.2 secs Computing kpt #: 301 total cpu time spent up to now is 203.9 secs Computing kpt #: 302 total cpu time spent up to now is 204.6 secs Computing kpt #: 303 total cpu time spent up to now is 205.2 secs Computing kpt #: 304 total cpu time spent up to now is 205.9 secs Computing kpt #: 305 total cpu time spent up to now is 206.5 secs Computing kpt #: 306 total cpu time spent up to now is 207.1 secs Computing kpt #: 307 total cpu time spent up to now is 207.7 secs Computing kpt #: 308 total cpu time spent up to now is 208.3 secs Computing kpt #: 309 total cpu time spent up to now is 208.9 secs Computing kpt #: 310 total cpu time spent up to now is 209.4 secs Computing kpt #: 311 total cpu time spent up to now is 209.9 secs Computing kpt #: 312 total cpu time spent up to now is 210.4 secs Computing kpt #: 313 total cpu time spent up to now is 210.9 secs Computing kpt #: 314 total cpu time spent up to now is 211.4 secs Computing kpt #: 315 total cpu time spent up to now is 211.9 secs Computing kpt #: 316 total cpu time spent up to now is 212.4 secs Computing kpt #: 317 total cpu time spent up to now is 213.0 secs Computing kpt #: 318 total cpu time spent up to now is 213.5 secs Computing kpt #: 319 total cpu time spent up to now is 214.0 secs Computing kpt #: 320 total cpu time spent up to now is 214.5 secs Computing kpt #: 321 total cpu time spent up to now is 215.0 secs Computing kpt #: 322 total cpu time spent up to now is 215.6 secs Computing kpt #: 323 total cpu time spent up to now is 216.2 secs Computing kpt #: 324 total cpu time spent up to now is 216.8 secs Computing kpt #: 325 total cpu time spent up to now is 217.4 secs Computing kpt #: 326 total cpu time spent up to now is 218.0 secs Computing kpt #: 327 total cpu time spent up to now is 218.7 secs Computing kpt #: 328 total cpu time spent up to now is 219.3 secs Computing kpt #: 329 total cpu time spent up to now is 220.1 secs Computing kpt #: 330 total cpu time spent up to now is 221.0 secs ethr = 2.50E-08, avg # of iterations = 25.1 total cpu time spent up to now is 221.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3213 PWs) bands (ev): -25.3511 -25.3511 -8.2045 -8.2045 -7.0887 -7.0887 -7.0567 -7.0567 -2.0642 -2.0642 1.5124 1.5124 3.9422 3.9422 6.6388 6.6388 6.8476 6.8476 7.2926 7.2926 7.5499 7.5499 7.6361 7.6361 7.7403 7.7403 8.4632 8.4632 8.4852 8.4852 8.7628 8.7628 8.7937 8.7937 8.8956 8.8956 9.1855 9.1855 10.1804 10.1804 10.2855 10.2855 10.4869 10.4869 12.0072 12.0072 12.6517 12.6517 k = 0.0000 0.0000 0.0194 ( 3203 PWs) bands (ev): -25.3510 -25.3510 -8.2045 -8.2045 -7.0889 -7.0889 -7.0567 -7.0567 -2.0629 -2.0629 1.5120 1.5120 3.9432 3.9432 6.6369 6.6369 6.8458 6.8458 7.2909 7.2909 7.5480 7.5480 7.6366 7.6366 7.7409 7.7409 8.4613 8.4613 8.4871 8.4871 8.7621 8.7621 8.7927 8.7927 8.8942 8.8942 9.1877 9.1877 10.1472 10.1472 10.3057 10.3057 10.4975 10.4975 12.0142 12.0142 12.6599 12.6599 k = 0.0000 0.0000 0.0388 ( 3207 PWs) bands (ev): -25.3510 -25.3510 -8.2047 -8.2047 -7.0894 -7.0894 -7.0568 -7.0568 -2.0592 -2.0592 1.5109 1.5109 3.9462 3.9462 6.6311 6.6311 6.8407 6.8407 7.2855 7.2855 7.5423 7.5423 7.6380 7.6380 7.7423 7.7423 8.4565 8.4565 8.4914 8.4914 8.7595 8.7595 8.7898 8.7898 8.8900 8.8900 9.1940 9.1940 10.0856 10.0856 10.3234 10.3234 10.5350 10.5350 12.0353 12.0353 12.6837 12.6837 k = 0.0000 0.0000 0.0582 ( 3219 PWs) bands (ev): -25.3510 -25.3510 -8.2051 -8.2051 -7.0902 -7.0902 -7.0569 -7.0569 -2.0530 -2.0530 1.5091 1.5091 3.9510 3.9510 6.6209 6.6209 6.8326 6.8326 7.2756 7.2756 7.5341 7.5341 7.6405 7.6405 7.7446 7.7446 8.4507 8.4507 8.4964 8.4964 8.7550 8.7550 8.7851 8.7851 8.8837 8.8837 9.2036 9.2036 10.0189 10.0189 10.3157 10.3157 10.5995 10.5995 12.0700 12.0700 12.7208 12.7208 k = 0.0000 0.0000 0.0776 ( 3227 PWs) bands (ev): -25.3509 -25.3509 -8.2056 -8.2056 -7.0913 -7.0913 -7.0571 -7.0571 -2.0444 -2.0444 1.5066 1.5066 3.9578 3.9578 6.6063 6.6063 6.8223 6.8223 7.2600 7.2600 7.5248 7.5248 7.6437 7.6437 7.7479 7.7479 8.4447 8.4447 8.5015 8.5015 8.7486 8.7486 8.7792 8.7792 8.8761 8.8761 9.2154 9.2154 9.9525 9.9525 10.2895 10.2895 10.6810 10.6810 12.1182 12.1182 12.7682 12.7682 k = 0.0000 0.0000 0.0970 ( 3215 PWs) bands (ev): -25.3509 -25.3509 -8.2062 -8.2062 -7.0927 -7.0927 -7.0573 -7.0573 -2.0334 -2.0334 1.5034 1.5034 3.9664 3.9664 6.5868 6.5868 6.8105 6.8105 7.2372 7.2372 7.5164 7.5164 7.6481 7.6481 7.7521 7.7521 8.4388 8.4388 8.5063 8.5063 8.7400 8.7400 8.7724 8.7724 8.8678 8.8678 9.2287 9.2287 9.8878 9.8878 10.2521 10.2521 10.7723 10.7723 12.1793 12.1793 12.8218 12.8218 k = 0.0000 0.0000 0.1164 ( 3209 PWs) bands (ev): -25.3508 -25.3508 -8.2070 -8.2070 -7.0945 -7.0945 -7.0575 -7.0575 -2.0200 -2.0200 1.4995 1.4995 3.9767 3.9767 6.5621 6.5621 6.7978 6.7978 7.2062 7.2062 7.5101 7.5101 7.6531 7.6531 7.7572 7.7572 8.4333 8.4333 8.5107 8.5107 8.7297 8.7297 8.7652 8.7652 8.8591 8.8591 9.2424 9.2424 9.8257 9.8257 10.2080 10.2080 10.8700 10.8700 12.2526 12.2526 12.8775 12.8775 k = 0.0000 0.0000 0.1359 ( 3209 PWs) bands (ev): -25.3507 -25.3507 -8.2078 -8.2078 -7.0965 -7.0965 -7.0578 -7.0578 -2.0044 -2.0044 1.4951 1.4951 3.9885 3.9885 6.5321 6.5321 6.7850 6.7850 7.1668 7.1668 7.5069 7.5069 7.6589 7.6589 7.7630 7.7630 8.4282 8.4282 8.5146 8.5146 8.7178 8.7178 8.7575 8.7575 8.8502 8.8502 9.2559 9.2559 9.7663 9.7663 10.1599 10.1599 10.9727 10.9727 12.3375 12.3375 12.9313 12.9313 k = 0.0000 0.0000 0.1553 ( 3209 PWs) bands (ev): -25.3506 -25.3506 -8.2088 -8.2088 -7.0987 -7.0987 -7.0581 -7.0581 -1.9866 -1.9866 1.4901 1.4901 4.0019 4.0019 6.4971 6.4971 6.7724 6.7724 7.1194 7.1194 7.5069 7.5069 7.6655 7.6655 7.7693 7.7693 8.4235 8.4235 8.5178 8.5178 8.7047 8.7047 8.7493 8.7493 8.8410 8.8410 9.2688 9.2688 9.7099 9.7099 10.1100 10.1100 11.0797 11.0797 12.4333 12.4333 12.9797 12.9797 k = 0.0000 0.0000 0.1747 ( 3205 PWs) bands (ev): -25.3504 -25.3504 -8.2099 -8.2099 -7.1013 -7.1013 -7.0584 -7.0584 -1.9668 -1.9668 1.4845 1.4845 4.0165 4.0165 6.4576 6.4576 6.7601 6.7601 7.0649 7.0649 7.5097 7.5097 7.6730 7.6730 7.7761 7.7761 8.4192 8.4192 8.5204 8.5204 8.6911 8.6911 8.7407 8.7407 8.8317 8.8317 9.2808 9.2808 9.6564 9.6564 10.0596 10.0596 11.1905 11.1905 12.5392 12.5392 13.0188 13.0188 k = 0.0000 0.0000 0.1941 ( 3208 PWs) bands (ev): -25.3503 -25.3503 -8.2111 -8.2111 -7.1040 -7.1040 -7.0588 -7.0588 -1.9450 -1.9450 1.4785 1.4785 4.0322 4.0322 6.4144 6.4144 6.7482 6.7482 7.0045 7.0045 7.5148 7.5148 7.6812 7.6812 7.7834 7.7834 8.4153 8.4153 8.5223 8.5223 8.6770 8.6770 8.7316 8.7316 8.8220 8.8220 9.2918 9.2918 9.6058 9.6058 10.0100 10.0100 11.3048 11.3048 12.6545 12.6545 13.0442 13.0442 k = 0.0000 0.0000 0.2135 ( 3210 PWs) bands (ev): -25.3501 -25.3501 -8.2124 -8.2124 -7.1070 -7.1070 -7.0591 -7.0591 -1.9213 -1.9213 1.4722 1.4722 4.0487 4.0487 6.3683 6.3683 6.7367 6.7367 6.9391 6.9391 7.5216 7.5216 7.6904 7.6904 7.7909 7.7909 8.4116 8.4116 8.5234 8.5234 8.6629 8.6629 8.7219 8.7219 8.8120 8.8120 9.3017 9.3017 9.5581 9.5581 9.9619 9.9619 11.4225 11.4225 12.7784 12.7784 13.0588 13.0588 k = 0.0000 0.0000 0.2329 ( 3218 PWs) bands (ev): -25.3500 -25.3500 -8.2138 -8.2138 -7.1101 -7.1101 -7.0595 -7.0595 -1.8958 -1.8958 1.4654 1.4654 4.0659 4.0659 6.3201 6.3201 6.7255 6.7255 6.8699 6.8699 7.5297 7.5297 7.7002 7.7002 7.7987 7.7987 8.4080 8.4080 8.5236 8.5236 8.6488 8.6488 8.7118 8.7118 8.8017 8.8017 9.3103 9.3103 9.5132 9.5132 9.9160 9.9160 11.5433 11.5433 12.9098 12.9098 13.0705 13.0705 k = 0.0000 0.0000 0.2523 ( 3226 PWs) bands (ev): -25.3498 -25.3498 -8.2153 -8.2153 -7.1134 -7.1134 -7.0599 -7.0599 -1.8688 -1.8688 1.4584 1.4584 4.0835 4.0835 6.2708 6.2708 6.7144 6.7144 6.7977 6.7977 7.5385 7.5385 7.7109 7.7109 7.8065 7.8065 8.4044 8.4044 8.5229 8.5229 8.6350 8.6350 8.7013 8.7013 8.7910 8.7910 9.3178 9.3178 9.4710 9.4710 9.8727 9.8727 11.6671 11.6671 13.0452 13.0452 13.0862 13.0862 k = 0.0000 0.0000 0.2717 ( 3226 PWs) bands (ev): -25.3496 -25.3496 -8.2168 -8.2168 -7.1168 -7.1168 -7.0602 -7.0602 -1.8403 -1.8403 1.4512 1.4512 4.1011 4.1011 6.2212 6.2212 6.7034 6.7034 6.7233 6.7233 7.5478 7.5478 7.7223 7.7223 7.8147 7.8147 8.4008 8.4008 8.5211 8.5211 8.6219 8.6219 8.6906 8.6906 8.7802 8.7802 9.3241 9.3241 9.4315 9.4315 9.8322 9.8322 11.7938 11.7938 13.0940 13.0940 13.1973 13.1973 k = 0.0000 0.0000 0.2911 ( 3230 PWs) bands (ev): -25.3494 -25.3494 -8.2184 -8.2184 -7.1203 -7.1203 -7.0606 -7.0606 -1.8105 -1.8105 1.4438 1.4438 4.1185 4.1185 6.1722 6.1722 6.6474 6.6474 6.6925 6.6925 7.5572 7.5572 7.7343 7.7343 7.8230 7.8230 8.3969 8.3969 8.5179 8.5179 8.6096 8.6096 8.6796 8.6796 8.7692 8.7692 9.3288 9.3288 9.3949 9.3949 9.7947 9.7947 11.9232 11.9232 13.1126 13.1126 13.2501 13.2501 k = 0.0000 0.0000 0.3105 ( 3230 PWs) bands (ev): -25.3492 -25.3492 -8.2200 -8.2200 -7.1239 -7.1239 -7.0610 -7.0610 -1.7795 -1.7795 1.4363 1.4363 4.1353 4.1353 6.1246 6.1246 6.5705 6.5705 6.6816 6.6816 7.5664 7.5664 7.7471 7.7471 7.8313 7.8313 8.3926 8.3926 8.5133 8.5133 8.5983 8.5983 8.6686 8.6686 8.7581 8.7581 9.3302 9.3302 9.3629 9.3629 9.7603 9.7603 12.0551 12.0551 13.1344 13.1344 13.2758 13.2758 k = 0.0000 0.0000 0.3299 ( 3230 PWs) bands (ev): -25.3490 -25.3490 -8.2217 -8.2217 -7.1276 -7.1276 -7.0614 -7.0614 -1.7476 -1.7476 1.4288 1.4288 4.1512 4.1512 6.0792 6.0792 6.4933 6.4933 6.6707 6.6707 7.5752 7.5752 7.7605 7.7605 7.8396 7.8396 8.3877 8.3877 8.5071 8.5071 8.5884 8.5884 8.6576 8.6576 8.7469 8.7469 9.3166 9.3166 9.3471 9.3471 9.7289 9.7289 12.1894 12.1894 13.1603 13.1603 13.3005 13.3005 k = 0.0000 0.0000 0.3493 ( 3232 PWs) bands (ev): -25.3488 -25.3488 -8.2234 -8.2234 -7.1313 -7.1313 -7.0618 -7.0618 -1.7148 -1.7148 1.4213 1.4213 4.1660 4.1660 6.0365 6.0365 6.4162 6.4162 6.6599 6.6599 7.5834 7.5834 7.7744 7.7744 7.8477 7.8477 8.3822 8.3822 8.4991 8.4991 8.5799 8.5799 8.6468 8.6468 8.7358 8.7358 9.2888 9.2888 9.3466 9.3466 9.7004 9.7004 12.3258 12.3258 13.1906 13.1906 13.3244 13.3244 k = 0.0000 0.0000 0.3687 ( 3232 PWs) bands (ev): -25.3485 -25.3485 -8.2251 -8.2251 -7.1349 -7.1349 -7.0621 -7.0621 -1.6815 -1.6815 1.4139 1.4139 4.1793 4.1793 5.9971 5.9971 6.3397 6.3397 6.6492 6.6492 7.5908 7.5908 7.7888 7.7888 7.8557 7.8557 8.3759 8.3759 8.4895 8.4895 8.5726 8.5726 8.6363 8.6363 8.7248 8.7248 9.2599 9.2599 9.3483 9.3483 9.6747 9.6747 12.4640 12.4640 13.2255 13.2255 13.3478 13.3478 k = 0.0000 0.0000 0.3882 ( 3232 PWs) bands (ev): -25.3483 -25.3483 -8.2269 -8.2269 -7.1386 -7.1386 -7.0625 -7.0625 -1.6477 -1.6477 1.4065 1.4065 4.1910 4.1910 5.9614 5.9614 6.2643 6.2643 6.6385 6.6385 7.5972 7.5972 7.8036 7.8036 7.8635 7.8635 8.3688 8.3688 8.4785 8.4785 8.5665 8.5665 8.6263 8.6263 8.7141 8.7141 9.2318 9.2318 9.3500 9.3500 9.6516 9.6516 12.6039 12.6039 13.2648 13.2648 13.3709 13.3709 k = 0.0000 0.0000 0.4076 ( 3232 PWs) bands (ev): -25.3480 -25.3480 -8.2286 -8.2286 -7.1422 -7.1422 -7.0628 -7.0628 -1.6136 -1.6136 1.3994 1.3994 4.2008 4.2008 5.9294 5.9294 6.1908 6.1908 6.6280 6.6280 7.6025 7.6025 7.8187 7.8187 7.8711 7.8711 8.3608 8.3608 8.4665 8.4665 8.5610 8.5610 8.6169 8.6169 8.7038 8.7038 9.2049 9.2049 9.3515 9.3515 9.6308 9.6308 12.7449 12.7449 13.3077 13.3077 13.3948 13.3948 k = 0.0000 0.0000 0.4270 ( 3228 PWs) bands (ev): -25.3478 -25.3478 -8.2303 -8.2303 -7.1458 -7.1458 -7.0632 -7.0632 -1.5794 -1.5794 1.3924 1.3924 4.2087 4.2087 5.9007 5.9007 6.1201 6.1201 6.6176 6.6176 7.6066 7.6066 7.8338 7.8338 7.8786 7.8786 8.3518 8.3518 8.4538 8.4538 8.5559 8.5559 8.6084 8.6084 8.6940 8.6940 9.1792 9.1792 9.3527 9.3527 9.6122 9.6122 12.8864 12.8864 13.3517 13.3517 13.4217 13.4217 k = 0.0000 0.0000 0.4464 ( 3228 PWs) bands (ev): -25.3476 -25.3476 -8.2320 -8.2320 -7.1493 -7.1493 -7.0635 -7.0635 -1.5454 -1.5454 1.3858 1.3858 4.2148 4.2148 5.8739 5.8739 6.0538 6.0538 6.6073 6.6073 7.6095 7.6095 7.8488 7.8488 7.8860 7.8860 8.3420 8.3420 8.4405 8.4405 8.5509 8.5509 8.6010 8.6010 8.6850 8.6850 9.1543 9.1543 9.3535 9.3535 9.5953 9.5953 13.0274 13.0274 13.3904 13.3904 13.4571 13.4571 k = 0.0000 0.0000 0.4658 ( 3228 PWs) bands (ev): -25.3473 -25.3473 -8.2337 -8.2337 -7.1527 -7.1527 -7.0638 -7.0638 -1.5117 -1.5117 1.3793 1.3793 4.2192 4.2192 5.8459 5.8459 5.9954 5.9954 6.5973 6.5973 7.6109 7.6109 7.8630 7.8630 7.8937 7.8937 8.3313 8.3313 8.4268 8.4268 8.5457 8.5457 8.5947 8.5947 8.6767 8.6767 9.1305 9.1305 9.3541 9.3541 9.5800 9.5800 13.1650 13.1650 13.4179 13.4179 13.4909 13.4909 k = 0.0000 0.0000 0.4852 ( 3232 PWs) bands (ev): -25.3471 -25.3471 -8.2353 -8.2353 -7.1560 -7.1560 -7.0641 -7.0641 -1.4784 -1.4784 1.3732 1.3732 4.2221 4.2221 5.8112 5.8112 5.9502 5.9502 6.5875 6.5875 7.6111 7.6111 7.8756 7.8756 7.9025 7.9025 8.3198 8.3198 8.4128 8.4128 8.5402 8.5402 8.5897 8.5897 8.6694 8.6694 9.1074 9.1074 9.3545 9.3545 9.5660 9.5660 13.2842 13.2842 13.3391 13.3391 13.4469 13.4469 k = 0.0000 0.0000 0.5046 ( 3230 PWs) bands (ev): -25.3468 -25.3468 -8.2369 -8.2369 -7.1592 -7.1592 -7.0643 -7.0643 -1.4459 -1.4459 1.3675 1.3675 4.2240 4.2240 5.7658 5.7658 5.9222 5.9222 6.5780 6.5780 7.6098 7.6098 7.8853 7.8853 7.9134 7.9134 8.3077 8.3077 8.3987 8.3987 8.5346 8.5346 8.5858 8.5858 8.6632 8.6632 9.0850 9.0850 9.3546 9.3546 9.5528 9.5528 13.2001 13.2001 13.2756 13.2756 13.4459 13.4459 k = 0.0000 0.0000 0.5240 ( 3226 PWs) bands (ev): -25.3466 -25.3466 -8.2385 -8.2385 -7.1623 -7.1623 -7.0646 -7.0646 -1.4141 -1.4141 1.3620 1.3620 4.2251 4.2251 5.7120 5.7120 5.9085 5.9085 6.5688 6.5688 7.6072 7.6072 7.8920 7.8920 7.9265 7.9265 8.2949 8.2949 8.3845 8.3845 8.5291 8.5291 8.5829 8.5829 8.6582 8.6582 9.0633 9.0633 9.3545 9.3545 9.5403 9.5403 13.0692 13.0692 13.1511 13.1511 13.4612 13.4612 k = 0.0000 0.0000 0.5434 ( 3222 PWs) bands (ev): -25.3463 -25.3463 -8.2400 -8.2400 -7.1653 -7.1653 -7.0648 -7.0648 -1.3833 -1.3833 1.3570 1.3570 4.2260 4.2260 5.6545 5.6545 5.9043 5.9043 6.5598 6.5598 7.6033 7.6033 7.8964 7.8964 7.9407 7.9407 8.2817 8.2817 8.3702 8.3702 8.5239 8.5239 8.5809 8.5809 8.6543 8.6543 9.0421 9.0421 9.3543 9.3543 9.5281 9.5281 12.9477 12.9477 13.0144 13.0144 13.4725 13.4725 k = 0.0000 0.0000 0.5628 ( 3226 PWs) bands (ev): -25.3461 -25.3461 -8.2414 -8.2414 -7.1681 -7.1681 -7.0650 -7.0650 -1.3536 -1.3536 1.3523 1.3523 4.2273 4.2273 5.5961 5.5961 5.9058 5.9058 6.5512 6.5512 7.5981 7.5981 7.8990 7.8990 7.9553 7.9553 8.2681 8.2681 8.3560 8.3560 8.5190 8.5190 8.5797 8.5797 8.6515 8.6515 9.0213 9.0213 9.3539 9.3539 9.5158 9.5158 12.8362 12.8362 12.8780 12.8780 13.4810 13.4810 k = 0.0000 0.0000 0.5822 ( 3226 PWs) bands (ev): -25.3458 -25.3458 -8.2428 -8.2428 -7.1707 -7.1707 -7.0651 -7.0651 -1.3252 -1.3252 1.3480 1.3480 4.2292 4.2292 5.5384 5.5384 5.9112 5.9112 6.5430 6.5430 7.5918 7.5918 7.9003 7.9003 7.9698 7.9698 8.2541 8.2541 8.3419 8.3419 8.5148 8.5148 8.5793 8.5793 8.6499 8.6499 9.0009 9.0009 9.3534 9.3534 9.5034 9.5034 12.7341 12.7341 12.7454 12.7454 13.4872 13.4872 k = 0.0000 0.0000 0.6016 ( 3224 PWs) bands (ev): -25.3456 -25.3456 -8.2441 -8.2441 -7.1732 -7.1732 -7.0653 -7.0653 -1.2981 -1.2981 1.3440 1.3440 4.2325 4.2325 5.4821 5.4821 5.9190 5.9190 6.5351 6.5351 7.5844 7.5844 7.9004 7.9004 7.9838 7.9838 8.2399 8.2399 8.3280 8.3280 8.5114 8.5114 8.5798 8.5798 8.6493 8.6493 8.9810 8.9810 9.3528 9.3528 9.4906 9.4906 12.6118 12.6118 12.6477 12.6477 13.4913 13.4913 k = 0.0000 0.0000 0.6210 ( 3226 PWs) bands (ev): -25.3453 -25.3453 -8.2453 -8.2453 -7.1756 -7.1756 -7.0654 -7.0654 -1.2725 -1.2725 1.3405 1.3405 4.2373 4.2373 5.4276 5.4276 5.9280 5.9280 6.5276 6.5276 7.5761 7.5761 7.8993 7.8993 7.9971 7.9971 8.2256 8.2256 8.3142 8.3142 8.5088 8.5088 8.5813 8.5813 8.6496 8.6496 8.9612 8.9612 9.3521 9.3521 9.4773 9.4773 12.4849 12.4849 12.5702 12.5702 13.4935 13.4935 k = 0.0000 0.0000 0.6404 ( 3226 PWs) bands (ev): -25.3451 -25.3451 -8.2465 -8.2465 -7.1778 -7.1778 -7.0655 -7.0655 -1.2484 -1.2484 1.3373 1.3373 4.2442 4.2442 5.3752 5.3752 5.9374 5.9374 6.5205 6.5205 7.5669 7.5669 7.8972 7.8972 8.0096 8.0096 8.2113 8.2113 8.3008 8.3008 8.5072 8.5072 8.5839 8.5839 8.6508 8.6508 8.9418 8.9418 9.3513 9.3513 9.4633 9.4633 12.3618 12.3618 12.5051 12.5051 13.4938 13.4938 k = 0.0000 0.0000 0.6599 ( 3230 PWs) bands (ev): -25.3449 -25.3449 -8.2476 -8.2476 -7.1798 -7.1798 -7.0655 -7.0655 -1.2259 -1.2259 1.3344 1.3344 4.2533 4.2533 5.3252 5.3252 5.9464 5.9464 6.5138 6.5138 7.5571 7.5571 7.8941 7.8941 8.0209 8.0209 8.1970 8.1970 8.2877 8.2877 8.5065 8.5065 8.5875 8.5875 8.6527 8.6527 8.9227 8.9227 9.3504 9.3504 9.4486 9.4486 12.2429 12.2429 12.4526 12.4526 13.4924 13.4924 k = 0.0000 0.0000 0.6793 ( 3224 PWs) bands (ev): -25.3447 -25.3447 -8.2487 -8.2487 -7.1817 -7.1817 -7.0656 -7.0656 -1.2051 -1.2051 1.3319 1.3319 4.2650 4.2650 5.2776 5.2776 5.9542 5.9542 6.5074 6.5074 7.5468 7.5468 7.8902 7.8902 8.0311 8.0311 8.1828 8.1828 8.2750 8.2750 8.5069 8.5069 8.5922 8.5922 8.6555 8.6555 8.9039 8.9039 9.3494 9.3494 9.4334 9.4334 12.1286 12.1286 12.4126 12.4126 13.4893 13.4893 k = 0.0000 0.0000 0.6987 ( 3228 PWs) bands (ev): -25.3445 -25.3445 -8.2496 -8.2496 -7.1835 -7.1835 -7.0656 -7.0656 -1.1859 -1.1859 1.3298 1.3298 4.2792 4.2792 5.2324 5.2324 5.9603 5.9603 6.5014 6.5014 7.5361 7.5361 7.8855 7.8855 8.0400 8.0400 8.1690 8.1690 8.2628 8.2628 8.5081 8.5081 8.5979 8.5979 8.6591 8.6591 8.8852 8.8852 9.3484 9.3484 9.4178 9.4178 12.0190 12.0190 12.3850 12.3850 13.4846 13.4846 k = 0.0000 0.0000 0.7181 ( 3224 PWs) bands (ev): -25.3443 -25.3443 -8.2505 -8.2505 -7.1851 -7.1851 -7.0656 -7.0656 -1.1683 -1.1683 1.3279 1.3279 4.2960 4.2960 5.1899 5.1899 5.9642 5.9642 6.4958 6.4958 7.5251 7.5251 7.8804 7.8804 8.0474 8.0474 8.1557 8.1557 8.2512 8.2512 8.5104 8.5104 8.6044 8.6044 8.6637 8.6637 8.8669 8.8669 9.3472 9.3472 9.4021 9.4021 11.9145 11.9145 12.3697 12.3697 13.4783 13.4783 k = 0.0000 0.0000 0.7375 ( 3224 PWs) bands (ev): -25.3441 -25.3441 -8.2513 -8.2513 -7.1866 -7.1866 -7.0656 -7.0656 -1.1524 -1.1524 1.3263 1.3263 4.3153 4.3153 5.1501 5.1501 5.9654 5.9654 6.4905 6.4905 7.5141 7.5141 7.8750 7.8750 8.0532 8.0532 8.1431 8.1431 8.2401 8.2401 8.5135 8.5135 8.6113 8.6113 8.6694 8.6694 8.8489 8.8489 9.3458 9.3458 9.3864 9.3864 11.8152 11.8152 12.3664 12.3664 13.4702 13.4702 k = 0.0000 0.0000 0.7569 ( 3226 PWs) bands (ev): -25.3439 -25.3439 -8.2521 -8.2521 -7.1879 -7.1879 -7.0655 -7.0655 -1.1380 -1.1380 1.3249 1.3249 4.3371 4.3371 5.1129 5.1129 5.9637 5.9637 6.4856 6.4856 7.5032 7.5032 7.8694 7.8694 8.0572 8.0572 8.1315 8.1315 8.2297 8.2297 8.5175 8.5175 8.6181 8.6181 8.6764 8.6764 8.8312 8.8312 9.3437 9.3437 9.3717 9.3717 11.7215 11.7215 12.3744 12.3744 13.4604 13.4604 k = 0.0000 0.0000 0.7763 ( 3222 PWs) bands (ev): -25.3438 -25.3438 -8.2528 -8.2528 -7.1891 -7.1891 -7.0655 -7.0655 -1.1252 -1.1252 1.3238 1.3238 4.3609 4.3609 5.0784 5.0784 5.9591 5.9591 6.4811 6.4811 7.4925 7.4925 7.8641 7.8641 8.0591 8.0591 8.1214 8.1214 8.2200 8.2200 8.5222 8.5222 8.6245 8.6245 8.6848 8.6848 8.8140 8.8140 9.3398 9.3398 9.3593 9.3593 11.6335 11.6335 12.3932 12.3932 13.4487 13.4487 k = 0.0000 0.0000 0.7957 ( 3214 PWs) bands (ev): -25.3436 -25.3436 -8.2534 -8.2534 -7.1902 -7.1902 -7.0655 -7.0655 -1.1139 -1.1139 1.3229 1.3229 4.3864 4.3864 5.0468 5.0468 5.9515 5.9515 6.4769 6.4769 7.4822 7.4822 7.8591 7.8591 8.0585 8.0585 8.1135 8.1135 8.2112 8.2112 8.5278 8.5278 8.6300 8.6300 8.6945 8.6945 8.7972 8.7972 9.3318 9.3318 9.3519 9.3519 11.5517 11.5517 12.4220 12.4220 13.4347 13.4347 k = 0.0000 0.0000 0.8151 ( 3216 PWs) bands (ev): -25.3435 -25.3435 -8.2539 -8.2539 -7.1911 -7.1911 -7.0654 -7.0654 -1.1039 -1.1039 1.3221 1.3221 4.4133 4.4133 5.0179 5.0179 5.9413 5.9413 6.4732 6.4732 7.4724 7.4724 7.8547 7.8547 8.0552 8.0552 8.1080 8.1080 8.2029 8.2029 8.5340 8.5340 8.6348 8.6348 8.7051 8.7051 8.7811 8.7811 9.3205 9.3205 9.3485 9.3485 11.4762 11.4762 12.4600 12.4600 13.4182 13.4182 k = 0.0000 0.0000 0.8345 ( 3212 PWs) bands (ev): -25.3434 -25.3434 -8.2544 -8.2544 -7.1920 -7.1920 -7.0653 -7.0653 -1.0953 -1.0953 1.3215 1.3215 4.4408 4.4408 4.9917 4.9917 5.9287 5.9287 6.4698 6.4698 7.4632 7.4632 7.8509 7.8509 8.0497 8.0497 8.1048 8.1048 8.1954 8.1954 8.5410 8.5410 8.6387 8.6387 8.7157 8.7157 8.7661 8.7661 9.3088 9.3088 9.3468 9.3468 11.4074 11.4074 12.5062 12.5062 13.3988 13.3988 k = 0.0000 0.0000 0.8539 ( 3212 PWs) bands (ev): -25.3433 -25.3433 -8.2548 -8.2548 -7.1927 -7.1927 -7.0653 -7.0653 -1.0880 -1.0880 1.3211 1.3211 4.4683 4.4683 4.9684 4.9684 5.9145 5.9145 6.4668 6.4668 7.4547 7.4547 7.8479 7.8479 8.0429 8.0429 8.1032 8.1032 8.1888 8.1888 8.5486 8.5486 8.6417 8.6417 8.7240 8.7240 8.7543 8.7543 9.2977 9.2977 9.3457 9.3457 11.3456 11.3456 12.5594 12.5594 13.3760 13.3760 k = 0.0000 0.0000 0.8733 ( 3216 PWs) bands (ev): -25.3432 -25.3432 -8.2552 -8.2552 -7.1933 -7.1933 -7.0652 -7.0652 -1.0818 -1.0818 1.3207 1.3207 4.4951 4.4951 4.9479 4.9479 5.8993 5.8993 6.4642 6.4642 7.4471 7.4471 7.8456 7.8456 8.0355 8.0355 8.1025 8.1025 8.1828 8.1828 8.5567 8.5567 8.6440 8.6440 8.7232 8.7232 8.7520 8.7520 9.2878 9.2878 9.3449 9.3449 11.2912 11.2912 12.6184 12.6184 13.3491 13.3491 k = 0.0000 0.0000 0.8927 ( 3212 PWs) bands (ev): -25.3431 -25.3431 -8.2555 -8.2555 -7.1938 -7.1938 -7.0652 -7.0652 -1.0767 -1.0767 1.3204 1.3204 4.5202 4.5202 4.9302 4.9302 5.8841 5.8841 6.4620 6.4620 7.4405 7.4405 7.8440 7.8440 8.0284 8.0284 8.1022 8.1022 8.1779 8.1779 8.5652 8.5652 8.6456 8.6456 8.7135 8.7135 8.7588 8.7588 9.2792 9.2792 9.3443 9.3443 11.2444 11.2444 12.6818 12.6818 13.3178 13.3178 k = 0.0000 0.0000 0.9122 ( 3220 PWs) bands (ev): -25.3430 -25.3430 -8.2557 -8.2557 -7.1943 -7.1943 -7.0651 -7.0651 -1.0726 -1.0726 1.3202 1.3202 4.5427 4.5427 4.9155 4.9155 5.8698 5.8698 6.4602 6.4602 7.4349 7.4349 7.8430 7.8430 8.0220 8.0220 8.1021 8.1021 8.1738 8.1738 8.5739 8.5739 8.6463 8.6463 8.7019 8.7019 8.7670 8.7670 9.2721 9.2721 9.3438 9.3438 11.2057 11.2057 12.7477 12.7477 13.2817 13.2817 k = 0.0000 0.0000 0.9316 ( 3224 PWs) bands (ev): -25.3430 -25.3430 -8.2559 -8.2559 -7.1946 -7.1946 -7.0651 -7.0651 -1.0695 -1.0695 1.3201 1.3201 4.5616 4.5616 4.9038 4.9038 5.8574 5.8574 6.4588 6.4588 7.4305 7.4305 7.8424 7.8424 8.0166 8.0166 8.1021 8.1021 8.1705 8.1705 8.5826 8.5826 8.6460 8.6460 8.6915 8.6915 8.7745 8.7745 9.2664 9.2664 9.3435 9.3435 11.1752 11.1752 12.8139 12.8139 13.2413 13.2413 k = 0.0000 0.0000 0.9510 ( 3214 PWs) bands (ev): -25.3429 -25.3429 -8.2561 -8.2561 -7.1948 -7.1948 -7.0650 -7.0650 -1.0673 -1.0673 1.3200 1.3200 4.5761 4.5761 4.8953 4.8953 5.8477 5.8477 6.4579 6.4579 7.4274 7.4274 7.8421 7.8421 8.0127 8.0127 8.1022 8.1022 8.1683 8.1683 8.5906 8.5906 8.6445 8.6445 8.6834 8.6834 8.7802 8.7802 9.2624 9.2624 9.3432 9.3432 11.1532 11.1532 12.8764 12.8764 13.1986 13.1986 k = 0.0000 0.0000 0.9704 ( 3210 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0660 -1.0660 1.3200 1.3200 4.5851 4.5851 4.8901 4.8901 5.8416 5.8416 6.4573 6.4573 7.4254 7.4254 7.8421 7.8421 8.0102 8.0102 8.1023 8.1023 8.1670 8.1670 8.5968 8.5968 8.6425 8.6425 8.6784 8.6784 8.7837 8.7837 9.2600 9.2600 9.3431 9.3431 11.1400 11.1400 12.9277 12.9277 13.1598 13.1598 k = 0.0000 0.0000 0.9898 ( 3216 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0656 -1.0656 1.3200 1.3200 4.5882 4.5882 4.8883 4.8883 5.8395 5.8395 6.4571 6.4571 7.4247 7.4247 7.8421 7.8421 8.0093 8.0093 8.1023 8.1023 8.1664 8.1664 8.5992 8.5992 8.6414 8.6414 8.6767 8.6767 8.7849 8.7849 9.2592 9.2592 9.3430 9.3430 11.1356 11.1356 12.9499 12.9499 13.1418 13.1418 k = 0.0000 0.0000 0.9898 ( 3216 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0656 -1.0656 1.3200 1.3200 4.5882 4.5882 4.8883 4.8883 5.8395 5.8395 6.4571 6.4571 7.4247 7.4247 7.8421 7.8421 8.0093 8.0093 8.1023 8.1023 8.1664 8.1664 8.5992 8.5992 8.6414 8.6414 8.6767 8.6767 8.7849 8.7849 9.2592 9.2592 9.3430 9.3430 11.1356 11.1356 12.9499 12.9499 13.1418 13.1418 k =-0.0095 0.0163 0.9898 ( 3218 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0652 -1.0652 1.3173 1.3173 4.5893 4.5893 4.8921 4.8921 5.8387 5.8387 6.4560 6.4560 7.4244 7.4244 7.8425 7.8425 8.0096 8.0096 8.1020 8.1020 8.1661 8.1661 8.5984 8.5984 8.6409 8.6409 8.6744 8.6744 8.7917 8.7917 9.2591 9.2591 9.3435 9.3435 11.1360 11.1360 12.9497 12.9497 13.1456 13.1456 k =-0.0190 0.0325 0.9898 ( 3216 PWs) bands (ev): -25.3429 -25.3429 -8.2561 -8.2561 -7.1948 -7.1948 -7.0651 -7.0651 -1.0641 -1.0641 1.3092 1.3092 4.5927 4.5927 4.9036 4.9036 5.8362 5.8362 6.4528 6.4528 7.4234 7.4234 7.8439 7.8439 8.0106 8.0106 8.1011 8.1011 8.1652 8.1652 8.5951 8.5951 8.6401 8.6401 8.6699 8.6699 8.8097 8.8097 9.2590 9.2590 9.3451 9.3451 11.1371 11.1371 12.9491 12.9491 13.1566 13.1566 k =-0.0286 0.0488 0.9898 ( 3220 PWs) bands (ev): -25.3430 -25.3430 -8.2560 -8.2560 -7.1946 -7.1946 -7.0652 -7.0652 -1.0623 -1.0623 1.2960 1.2960 4.5984 4.5984 4.9226 4.9226 5.8319 5.8319 6.4476 6.4476 7.4217 7.4217 7.8462 7.8462 8.0122 8.0122 8.0997 8.0997 8.1636 8.1636 8.5882 8.5882 8.6402 8.6402 8.6668 8.6668 8.8350 8.8350 9.2587 9.2587 9.3477 9.3477 11.1390 11.1390 12.9481 12.9481 13.1745 13.1745 k =-0.0381 0.0650 0.9898 ( 3216 PWs) bands (ev): -25.3430 -25.3430 -8.2558 -8.2558 -7.1943 -7.1943 -7.0654 -7.0654 -1.0597 -1.0597 1.2778 1.2778 4.6064 4.6064 4.9487 4.9487 5.8259 5.8259 6.4409 6.4409 7.4193 7.4193 7.8494 7.8494 8.0143 8.0143 8.0979 8.0979 8.1615 8.1615 8.5778 8.5778 8.6420 8.6420 8.6672 8.6672 8.8652 8.8652 9.2584 9.2584 9.3515 9.3515 11.1418 11.1418 12.9467 12.9467 13.1985 13.1985 k =-0.0476 0.0813 0.9898 ( 3220 PWs) bands (ev): -25.3431 -25.3431 -8.2556 -8.2556 -7.1938 -7.1938 -7.0656 -7.0656 -1.0566 -1.0566 1.2549 1.2549 4.6166 4.6166 4.9816 4.9816 5.8181 5.8181 6.4329 6.4329 7.4163 7.4163 7.8534 7.8534 8.0169 8.0169 8.0957 8.0957 8.1588 8.1588 8.5651 8.5651 8.6440 8.6440 8.6718 8.6718 8.8989 8.8989 9.2581 9.2581 9.3564 9.3564 11.1453 11.1453 12.9451 12.9451 13.2272 13.2272 k =-0.0571 0.0976 0.9898 ( 3228 PWs) bands (ev): -25.3431 -25.3431 -8.2554 -8.2554 -7.1933 -7.1933 -7.0659 -7.0659 -1.0529 -1.0529 1.2277 1.2277 4.6291 4.6291 5.0209 5.0209 5.8083 5.8083 6.4242 6.4242 7.4126 7.4126 7.8582 7.8582 8.0198 8.0198 8.0931 8.0931 8.1556 8.1556 8.5520 8.5520 8.6449 8.6449 8.6811 8.6811 8.9356 8.9356 9.2578 9.2578 9.3624 9.3624 11.1497 11.1497 12.9432 12.9432 13.2590 13.2590 k =-0.0666 0.1138 0.9898 ( 3224 PWs) bands (ev): -25.3432 -25.3432 -8.2551 -8.2551 -7.1927 -7.1927 -7.0662 -7.0662 -1.0486 -1.0486 1.1965 1.1965 4.6438 4.6438 5.0659 5.0659 5.7965 5.7965 6.4153 6.4153 7.4082 7.4082 7.8636 7.8636 8.0228 8.0228 8.0905 8.0905 8.1520 8.1520 8.5394 8.5394 8.6448 8.6448 8.6948 8.6948 8.9748 8.9748 9.2578 9.2578 9.3699 9.3699 11.1549 11.1549 12.9410 12.9410 13.2915 13.2915 k =-0.0761 0.1301 0.9898 ( 3218 PWs) bands (ev): -25.3433 -25.3433 -8.2547 -8.2547 -7.1919 -7.1919 -7.0666 -7.0666 -1.0440 -1.0440 1.1617 1.1617 4.6608 4.6608 5.1160 5.1160 5.7829 5.7829 6.4067 6.4067 7.4033 7.4033 7.8698 7.8698 8.0258 8.0258 8.0882 8.0882 8.1479 8.1479 8.5278 8.5278 8.6441 8.6441 8.7118 8.7118 9.0163 9.0163 9.2579 9.2579 9.3786 9.3786 11.1611 11.1611 12.9388 12.9388 13.3216 13.3216 k =-0.0857 0.1463 0.9898 ( 3210 PWs) bands (ev): -25.3434 -25.3434 -8.2543 -8.2543 -7.1911 -7.1911 -7.0669 -7.0669 -1.0390 -1.0390 1.1238 1.1238 4.6801 4.6801 5.1705 5.1705 5.7675 5.7675 6.3989 6.3989 7.3977 7.3977 7.8764 7.8764 8.0280 8.0280 8.0866 8.0866 8.1435 8.1435 8.5174 8.5174 8.6430 8.6430 8.7318 8.7318 9.0600 9.0600 9.2583 9.2583 9.3889 9.3889 11.1682 11.1682 12.9365 12.9365 13.3454 13.3454 k =-0.0857 0.1463 0.9898 ( 3210 PWs) bands (ev): -25.3434 -25.3434 -8.2543 -8.2543 -7.1911 -7.1911 -7.0669 -7.0669 -1.0390 -1.0390 1.1238 1.1238 4.6801 4.6801 5.1705 5.1705 5.7675 5.7675 6.3989 6.3989 7.3977 7.3977 7.8764 7.8764 8.0280 8.0280 8.0866 8.0866 8.1435 8.1435 8.5174 8.5174 8.6430 8.6430 8.7318 8.7318 9.0600 9.0600 9.2583 9.2583 9.3889 9.3889 11.1682 11.1682 12.9365 12.9365 13.3454 13.3454 k =-0.0926 0.1581 0.9761 ( 3212 PWs) bands (ev): -25.3435 -25.3435 -8.2540 -8.2540 -7.1904 -7.1904 -7.0672 -7.0672 -1.0354 -1.0354 1.0947 1.0947 4.6933 4.6933 5.2131 5.2131 5.7573 5.7573 6.3937 6.3937 7.3936 7.3936 7.8815 7.8815 8.0292 8.0292 8.0863 8.0863 8.1403 8.1403 8.5106 8.5106 8.6413 8.6413 8.7487 8.7487 9.0921 9.0921 9.2594 9.2594 9.3978 9.3978 11.1760 11.1760 12.9292 12.9292 13.3588 13.3588 k =-0.0995 0.1699 0.9624 ( 3211 PWs) bands (ev): -25.3436 -25.3436 -8.2536 -8.2536 -7.1897 -7.1897 -7.0675 -7.0675 -1.0321 -1.0321 1.0645 1.0645 4.7030 4.7030 5.2587 5.2587 5.7506 5.7506 6.3888 6.3888 7.3896 7.3896 7.8870 7.8870 8.0297 8.0297 8.0870 8.0870 8.1376 8.1376 8.5044 8.5044 8.6384 8.6384 8.7678 8.7678 9.1230 9.1230 9.2624 9.2624 9.4088 9.4088 11.1886 11.1886 12.9120 12.9120 13.3680 13.3680 k =-0.1064 0.1817 0.9488 ( 3215 PWs) bands (ev): -25.3438 -25.3438 -8.2532 -8.2532 -7.1889 -7.1889 -7.0677 -7.0677 -1.0289 -1.0289 1.0336 1.0336 4.7089 4.7089 5.3067 5.3067 5.7480 5.7480 6.3842 6.3842 7.3857 7.3857 7.8927 7.8927 8.0292 8.0292 8.0890 8.0890 8.1357 8.1357 8.4989 8.4989 8.6348 8.6348 8.7882 8.7882 9.1520 9.1520 9.2678 9.2678 9.4227 9.4227 11.2058 11.2058 12.8874 12.8874 13.3691 13.3691 k =-0.1133 0.1935 0.9351 ( 3217 PWs) bands (ev): -25.3439 -25.3439 -8.2528 -8.2528 -7.1880 -7.1880 -7.0679 -7.0679 -1.0259 -1.0259 1.0021 1.0021 4.7105 4.7105 5.3569 5.3569 5.7502 5.7502 6.3798 6.3798 7.3819 7.3819 7.8987 7.8987 8.0276 8.0276 8.0921 8.0921 8.1347 8.1347 8.4942 8.4942 8.6308 8.6308 8.8092 8.8092 9.1781 9.1781 9.2761 9.2761 9.4402 9.4402 11.2274 11.2274 12.8574 12.8574 13.3601 13.3601 k =-0.1202 0.2053 0.9214 ( 3223 PWs) bands (ev): -25.3440 -25.3440 -8.2523 -8.2523 -7.1872 -7.1872 -7.0681 -7.0681 -1.0232 -1.0232 0.9703 0.9703 4.7077 4.7077 5.4087 5.4087 5.7576 5.7576 6.3756 6.3756 7.3781 7.3781 7.9048 7.9048 8.0250 8.0250 8.0956 8.0956 8.1353 8.1353 8.4901 8.4901 8.6266 8.6266 8.8304 8.8304 9.2004 9.2004 9.2879 9.2879 9.4624 9.4624 11.2534 11.2534 12.8235 12.8235 13.3406 13.3406 k =-0.1271 0.2171 0.9078 ( 3225 PWs) bands (ev): -25.3442 -25.3442 -8.2518 -8.2518 -7.1863 -7.1863 -7.0682 -7.0682 -1.0206 -1.0206 0.9383 0.9383 4.7004 4.7004 5.4616 5.4616 5.7703 5.7703 6.3715 6.3715 7.3742 7.3742 7.9110 7.9110 8.0220 8.0220 8.0987 8.0987 8.1381 8.1381 8.4866 8.4866 8.6222 8.6222 8.8512 8.8512 9.2190 9.2190 9.3029 9.3029 9.4899 9.4899 11.2837 11.2837 12.7871 12.7871 13.3117 13.3117 k =-0.1340 0.2289 0.8941 ( 3227 PWs) bands (ev): -25.3443 -25.3443 -8.2514 -8.2514 -7.1855 -7.1855 -7.0682 -7.0682 -1.0183 -1.0183 0.9064 0.9064 4.6888 4.6888 5.5152 5.5152 5.7883 5.7883 6.3677 6.3677 7.3703 7.3703 7.9170 7.9170 8.0191 8.0191 8.1006 8.1006 8.1436 8.1436 8.4837 8.4837 8.6174 8.6174 8.8712 8.8712 9.2344 9.2344 9.3205 9.3205 9.5234 9.5234 11.3180 11.3180 12.7493 12.7493 13.2749 13.2749 k =-0.1409 0.2407 0.8804 ( 3225 PWs) bands (ev): -25.3445 -25.3445 -8.2509 -8.2509 -7.1847 -7.1847 -7.0681 -7.0681 -1.0161 -1.0161 0.8747 0.8747 4.6734 4.6734 5.5689 5.5689 5.8115 5.8115 6.3640 6.3640 7.3662 7.3662 7.9225 7.9225 8.0168 8.0168 8.1013 8.1013 8.1516 8.1516 8.4814 8.4814 8.6125 8.6125 8.8902 8.8902 9.2479 9.2479 9.3397 9.3397 9.5630 9.5630 11.3563 11.3563 12.7108 12.7108 13.2315 13.2315 k =-0.1478 0.2525 0.8667 ( 3225 PWs) bands (ev): -25.3446 -25.3446 -8.2504 -8.2504 -7.1839 -7.1839 -7.0678 -7.0678 -1.0141 -1.0141 0.8434 0.8434 4.6546 4.6546 5.6222 5.6222 5.8393 5.8393 6.3607 6.3607 7.3619 7.3619 7.9271 7.9271 8.0159 8.0159 8.1010 8.1010 8.1615 8.1615 8.4794 8.4794 8.6073 8.6073 8.9080 8.9080 9.2603 9.2603 9.3601 9.3601 9.6085 9.6085 11.3984 11.3984 12.6723 12.6723 13.1830 13.1830 k =-0.1547 0.2643 0.8531 ( 3235 PWs) bands (ev): -25.3448 -25.3448 -8.2499 -8.2499 -7.1833 -7.1833 -7.0675 -7.0675 -1.0123 -1.0123 0.8127 0.8127 4.6329 4.6329 5.6747 5.6747 5.8713 5.8713 6.3578 6.3578 7.3573 7.3573 7.9303 7.9303 8.0169 8.0169 8.1000 8.1000 8.1727 8.1727 8.4777 8.4777 8.6017 8.6017 8.9244 8.9244 9.2720 9.2720 9.3817 9.3817 9.6597 9.6597 11.4442 11.4442 12.6345 12.6345 13.1304 13.1304 k =-0.1616 0.2761 0.8394 ( 3231 PWs) bands (ev): -25.3450 -25.3450 -8.2494 -8.2494 -7.1826 -7.1826 -7.0671 -7.0671 -1.0106 -1.0106 0.7827 0.7827 4.6090 4.6090 5.7259 5.7259 5.9068 5.9068 6.3554 6.3554 7.3525 7.3525 7.9319 7.9319 8.0203 8.0203 8.0988 8.0988 8.1849 8.1849 8.4763 8.4763 8.5958 8.5958 8.9398 8.9398 9.2832 9.2832 9.4044 9.4044 9.7164 9.7164 11.4935 11.4935 12.5979 12.5979 13.0745 13.0745 k =-0.1685 0.2879 0.8257 ( 3227 PWs) bands (ev): -25.3451 -25.3451 -8.2489 -8.2489 -7.1821 -7.1821 -7.0665 -7.0665 -1.0091 -1.0091 0.7535 0.7535 4.5834 4.5834 5.7753 5.7753 5.9452 5.9452 6.3538 6.3538 7.3474 7.3474 7.9321 7.9321 8.0261 8.0261 8.0975 8.0975 8.1977 8.1977 8.4751 8.4751 8.5896 8.5896 8.9541 8.9541 9.2939 9.2939 9.4281 9.4281 9.7784 9.7784 11.5462 11.5462 12.5628 12.5628 13.0159 13.0159 k =-0.1754 0.2997 0.8121 ( 3225 PWs) bands (ev): -25.3453 -25.3453 -8.2484 -8.2484 -7.1817 -7.1817 -7.0658 -7.0658 -1.0078 -1.0078 0.7253 0.7253 4.5567 4.5567 5.8225 5.8225 5.9858 5.9858 6.3531 6.3531 7.3421 7.3421 7.9310 7.9310 8.0339 8.0339 8.0963 8.0963 8.2107 8.2107 8.4741 8.4741 8.5830 8.5830 8.9679 8.9679 9.3041 9.3041 9.4524 9.4524 9.8455 9.8455 11.6021 11.6021 12.5294 12.5294 12.9554 12.9554 k =-0.1823 0.3115 0.7984 ( 3231 PWs) bands (ev): -25.3455 -25.3455 -8.2480 -8.2480 -7.1813 -7.1813 -7.0650 -7.0650 -1.0065 -1.0065 0.6981 0.6981 4.5294 4.5294 5.8670 5.8670 6.0277 6.0277 6.3536 6.3536 7.3364 7.3364 7.9292 7.9292 8.0431 8.0431 8.0952 8.0952 8.2237 8.2237 8.4731 8.4731 8.5760 8.5760 8.9816 8.9816 9.3138 9.3138 9.4768 9.4768 9.9177 9.9177 11.6611 11.6611 12.4978 12.4978 12.8937 12.8937 k =-0.1892 0.3233 0.7847 ( 3238 PWs) bands (ev): -25.3457 -25.3457 -8.2476 -8.2476 -7.1810 -7.1810 -7.0641 -7.0641 -1.0055 -1.0055 0.6722 0.6722 4.5019 4.5019 5.9085 5.9085 6.0703 6.0703 6.3557 6.3557 7.3305 7.3305 7.9270 7.9270 8.0530 8.0530 8.0950 8.0950 8.2366 8.2366 8.4721 8.4721 8.5685 8.5685 8.9955 8.9955 9.3230 9.3230 9.5007 9.5007 9.9949 9.9949 11.7230 11.7230 12.4679 12.4679 12.8317 12.8317 k =-0.1961 0.3351 0.7711 ( 3236 PWs) bands (ev): -25.3458 -25.3458 -8.2472 -8.2472 -7.1808 -7.1808 -7.0632 -7.0632 -1.0045 -1.0045 0.6475 0.6475 4.4746 4.4746 5.9465 5.9465 6.1130 6.1130 6.3597 6.3597 7.3244 7.3244 7.9248 7.9248 8.0622 8.0622 8.0965 8.0965 8.2492 8.2492 8.4712 8.4712 8.5605 8.5605 9.0103 9.0103 9.3317 9.3317 9.5235 9.5235 10.0771 10.0771 11.7876 11.7876 12.4392 12.4392 12.7707 12.7707 k =-0.2031 0.3469 0.7574 ( 3242 PWs) bands (ev): -25.3460 -25.3460 -8.2468 -8.2468 -7.1807 -7.1807 -7.0621 -7.0621 -1.0036 -1.0036 0.6242 0.6242 4.4479 4.4479 5.9806 5.9806 6.1550 6.1550 6.3658 6.3658 7.3182 7.3182 7.9228 7.9228 8.0690 8.0690 8.1011 8.1011 8.2612 8.2612 8.4704 8.4704 8.5521 8.5521 9.0261 9.0261 9.3400 9.3400 9.5443 9.5443 10.1642 10.1642 11.8549 11.8549 12.4110 12.4110 12.7122 12.7122 k =-0.2100 0.3587 0.7437 ( 3234 PWs) bands (ev): -25.3461 -25.3461 -8.2464 -8.2464 -7.1807 -7.1807 -7.0610 -7.0610 -1.0029 -1.0029 0.6023 0.6023 4.4221 4.4221 6.0103 6.0103 6.1959 6.1959 6.3743 6.3743 7.3120 7.3120 7.9210 7.9210 8.0722 8.0722 8.1101 8.1101 8.2726 8.2726 8.4696 8.4696 8.5434 8.5434 9.0437 9.0437 9.3478 9.3478 9.5624 9.5624 10.2560 10.2560 11.9244 11.9244 12.3819 12.3819 12.6585 12.6585 k =-0.2169 0.3705 0.7300 ( 3238 PWs) bands (ev): -25.3463 -25.3463 -8.2461 -8.2461 -7.1808 -7.1808 -7.0599 -7.0599 -1.0022 -1.0022 0.5820 0.5820 4.3975 4.3975 6.0355 6.0355 6.2351 6.2351 6.3851 6.3851 7.3058 7.3058 7.9197 7.9197 8.0727 8.0727 8.1220 8.1220 8.2830 8.2830 8.4690 8.4690 8.5342 8.5342 9.0630 9.0630 9.3552 9.3552 9.5772 9.5772 10.3522 10.3522 11.9960 11.9960 12.3505 12.3505 12.6120 12.6120 k =-0.2238 0.3823 0.7164 ( 3234 PWs) bands (ev): -25.3464 -25.3464 -8.2458 -8.2458 -7.1808 -7.1808 -7.0587 -7.0587 -1.0017 -1.0017 0.5632 0.5632 4.3743 4.3743 6.0562 6.0562 6.2723 6.2723 6.3981 6.3981 7.2997 7.2997 7.9187 7.9187 8.0721 8.0721 8.1354 8.1354 8.2926 8.2926 8.4684 8.4684 8.5246 8.5246 9.0845 9.0845 9.3621 9.3621 9.5882 9.5882 10.4525 10.4525 12.0692 12.0692 12.3156 12.3156 12.5748 12.5748 k =-0.2307 0.3941 0.7027 ( 3234 PWs) bands (ev): -25.3465 -25.3465 -8.2456 -8.2456 -7.1810 -7.1810 -7.0576 -7.0576 -1.0012 -1.0012 0.5460 0.5460 4.3528 4.3528 6.0727 6.0727 6.3071 6.3071 6.4128 6.4128 7.2938 7.2938 7.9181 7.9181 8.0707 8.0707 8.1495 8.1495 8.3011 8.3011 8.4678 8.4678 8.5148 8.5148 9.1081 9.1081 9.3685 9.3685 9.5948 9.5948 10.5563 10.5563 12.1431 12.1431 12.2776 12.2776 12.5477 12.5477 k =-0.2376 0.4059 0.6890 ( 3234 PWs) bands (ev): -25.3466 -25.3466 -8.2453 -8.2453 -7.1811 -7.1811 -7.0565 -7.0565 -1.0007 -1.0007 0.5306 0.5306 4.3330 4.3330 6.0855 6.0855 6.3391 6.3391 6.4286 6.4286 7.2882 7.2882 7.9178 7.9178 8.0692 8.0692 8.1637 8.1637 8.3087 8.3087 8.4673 8.4673 8.5048 8.5048 9.1340 9.1340 9.3743 9.3743 9.5967 9.5967 10.6630 10.6630 12.2091 12.2091 12.2457 12.2457 12.5301 12.5301 k =-0.2445 0.4177 0.6754 ( 3232 PWs) bands (ev): -25.3467 -25.3467 -8.2451 -8.2451 -7.1813 -7.1813 -7.0555 -7.0555 -1.0004 -1.0004 0.5168 0.5168 4.3153 4.3153 6.0951 6.0951 6.3679 6.3679 6.4448 6.4448 7.2830 7.2830 7.9178 7.9178 8.0675 8.0675 8.1775 8.1775 8.3153 8.3153 8.4666 8.4666 8.4951 8.4951 9.1620 9.1620 9.3797 9.3797 9.5937 9.5937 10.7715 10.7715 12.1892 12.1892 12.2992 12.2992 12.5205 12.5205 k =-0.2514 0.4295 0.6617 ( 3233 PWs) bands (ev): -25.3468 -25.3468 -8.2450 -8.2450 -7.1814 -7.1814 -7.0546 -7.0546 -1.0001 -1.0001 0.5048 0.5048 4.2997 4.2997 6.1022 6.1022 6.3932 6.3932 6.4605 6.4605 7.2783 7.2783 7.9180 7.9180 8.0658 8.0658 8.1908 8.1908 8.3212 8.3212 8.4652 8.4652 8.4860 8.4860 9.1917 9.1917 9.3846 9.3846 9.5860 9.5860 10.8804 10.8804 12.1506 12.1506 12.3710 12.3710 12.5176 12.5176 k =-0.2583 0.4413 0.6480 ( 3231 PWs) bands (ev): -25.3469 -25.3469 -8.2448 -8.2448 -7.1816 -7.1816 -7.0538 -7.0538 -0.9999 -0.9999 0.4946 0.4946 4.2863 4.2863 6.1074 6.1074 6.4149 6.4149 6.4751 6.4751 7.2742 7.2742 7.9183 7.9183 8.0643 8.0643 8.2031 8.2031 8.3263 8.3263 8.4622 8.4622 8.4788 8.4788 9.2225 9.2225 9.3890 9.3890 9.5738 9.5738 10.9875 10.9875 12.1148 12.1148 12.4368 12.4368 12.5227 12.5227 k =-0.2652 0.4531 0.6344 ( 3231 PWs) bands (ev): -25.3470 -25.3470 -8.2447 -8.2447 -7.1818 -7.1818 -7.0531 -7.0531 -0.9997 -0.9997 0.4863 0.4863 4.2752 4.2752 6.1110 6.1110 6.4327 6.4327 6.4880 6.4880 7.2708 7.2708 7.9188 7.9188 8.0628 8.0628 8.2139 8.2139 8.3308 8.3308 8.4568 8.4568 8.4748 8.4748 9.2536 9.2536 9.3930 9.3930 9.5578 9.5578 11.0897 11.0897 12.0839 12.0839 12.4816 12.4816 12.5451 12.5451 k =-0.2721 0.4649 0.6207 ( 3229 PWs) bands (ev): -25.3470 -25.3470 -8.2446 -8.2446 -7.1819 -7.1819 -7.0526 -7.0526 -0.9995 -0.9995 0.4797 0.4797 4.2665 4.2665 6.1134 6.1134 6.4465 6.4465 6.4986 6.4986 7.2681 7.2681 7.9192 7.9192 8.0617 8.0617 8.2230 8.2230 8.3347 8.3347 8.4502 8.4502 8.4731 8.4731 9.2833 9.2833 9.3970 9.3970 9.5390 9.5390 11.1823 11.1823 12.0589 12.0589 12.4981 12.4981 12.5820 12.5820 k =-0.2790 0.4767 0.6070 ( 3227 PWs) bands (ev): -25.3471 -25.3471 -8.2445 -8.2445 -7.1820 -7.1820 -7.0522 -7.0522 -0.9994 -0.9994 0.4750 0.4750 4.2602 4.2602 6.1150 6.1150 6.4564 6.4564 6.5065 6.5065 7.2661 7.2661 7.9196 7.9196 8.0607 8.0607 8.2299 8.2299 8.3379 8.3379 8.4441 8.4441 8.4724 8.4724 9.3092 9.3092 9.4012 9.4012 9.5196 9.5196 11.2586 11.2586 12.0406 12.0406 12.5043 12.5043 12.5909 12.5909 k =-0.2859 0.4885 0.5933 ( 3229 PWs) bands (ev): -25.3471 -25.3471 -8.2445 -8.2445 -7.1820 -7.1820 -7.0519 -7.0519 -0.9994 -0.9994 0.4722 0.4722 4.2565 4.2565 6.1159 6.1159 6.4622 6.4622 6.5113 6.5113 7.2650 7.2650 7.9199 7.9199 8.0601 8.0601 8.2342 8.2342 8.3401 8.3401 8.4398 8.4398 8.4721 8.4721 9.3275 9.3275 9.4056 9.4056 9.5032 9.5032 11.3100 11.3100 12.0295 12.0295 12.5072 12.5072 12.5630 12.5630 k =-0.2928 0.5003 0.5797 ( 3231 PWs) bands (ev): -25.3471 -25.3471 -8.2445 -8.2445 -7.1820 -7.1820 -7.0518 -7.0518 -0.9994 -0.9994 0.4713 0.4713 4.2552 4.2552 6.1162 6.1162 6.4641 6.4641 6.5129 6.5129 7.2647 7.2647 7.9200 7.9200 8.0597 8.0597 8.2359 8.2359 8.3410 8.3410 8.4380 8.4380 8.4720 8.4720 9.3341 9.3341 9.4079 9.4079 9.4964 9.4964 11.3283 11.3283 12.0258 12.0258 12.5080 12.5080 12.5479 12.5479 k =-0.2928 0.5003 0.5797 ( 3231 PWs) bands (ev): -25.3471 -25.3471 -8.2445 -8.2445 -7.1820 -7.1820 -7.0518 -7.0518 -0.9994 -0.9994 0.4713 0.4713 4.2552 4.2552 6.1162 6.1162 6.4641 6.4641 6.5129 6.5129 7.2647 7.2647 7.9200 7.9200 8.0597 8.0597 8.2359 8.2359 8.3410 8.3410 8.4380 8.4380 8.4720 8.4720 9.3341 9.3341 9.4079 9.4079 9.4964 9.4964 11.3283 11.3283 12.0258 12.0258 12.5080 12.5080 12.5479 12.5479 k =-0.2859 0.4884 0.5659 ( 3233 PWs) bands (ev): -25.3470 -25.3470 -8.2453 -8.2453 -7.1839 -7.1839 -7.0509 -7.0509 -1.0053 -1.0053 0.5152 0.5152 4.2229 4.2229 6.0922 6.0922 6.4406 6.4406 6.5062 6.5062 7.2723 7.2723 7.9206 7.9206 8.0777 8.0777 8.2352 8.2352 8.3342 8.3342 8.4200 8.4200 8.4631 8.4631 9.3005 9.3005 9.3807 9.3807 9.4926 9.4926 11.2545 11.2545 12.1014 12.1014 12.5003 12.5003 12.5768 12.5768 k =-0.2789 0.4764 0.5521 ( 3225 PWs) bands (ev): -25.3470 -25.3470 -8.2459 -8.2459 -7.1855 -7.1855 -7.0502 -7.0502 -1.0140 -1.0140 0.5594 0.5594 4.1961 4.1961 6.0664 6.0664 6.4181 6.4181 6.5007 6.5007 7.2798 7.2798 7.9201 7.9201 8.0955 8.0955 8.2358 8.2358 8.3285 8.3285 8.4021 8.4021 8.4564 8.4564 9.2653 9.2653 9.3529 9.3529 9.4954 9.4954 11.1791 11.1791 12.1766 12.1766 12.4725 12.4725 12.6307 12.6307 k =-0.2719 0.4645 0.5383 ( 3225 PWs) bands (ev): -25.3469 -25.3469 -8.2464 -8.2464 -7.1867 -7.1867 -7.0494 -7.0494 -1.0255 -1.0255 0.6038 0.6038 4.1747 4.1747 6.0391 6.0391 6.3966 6.3966 6.4963 6.4963 7.2871 7.2871 7.9184 7.9184 8.1126 8.1126 8.2372 8.2372 8.3239 8.3239 8.3854 8.3854 8.4513 8.4513 9.2287 9.2287 9.3278 9.3278 9.5012 9.5012 11.1027 11.1027 12.2507 12.2507 12.4460 12.4460 12.6885 12.6885 k =-0.2649 0.4526 0.5245 ( 3225 PWs) bands (ev): -25.3469 -25.3469 -8.2467 -8.2467 -7.1875 -7.1875 -7.0488 -7.0488 -1.0399 -1.0399 0.6484 0.6484 4.1585 4.1585 6.0106 6.0106 6.3766 6.3766 6.4929 6.4929 7.2943 7.2943 7.9154 7.9154 8.1290 8.1290 8.2390 8.2390 8.3203 8.3203 8.3711 8.3711 8.4479 8.4479 9.1911 9.1911 9.3060 9.3060 9.5088 9.5088 11.0257 11.0257 12.3223 12.3223 12.4223 12.4223 12.7488 12.7488 k =-0.2580 0.4407 0.5107 ( 3231 PWs) bands (ev): -25.3468 -25.3468 -8.2469 -8.2469 -7.1880 -7.1880 -7.0483 -7.0483 -1.0571 -1.0571 0.6928 0.6928 4.1474 4.1474 5.9812 5.9812 6.3584 6.3584 6.4907 6.4907 7.3013 7.3013 7.9113 7.9113 8.1440 8.1440 8.2403 8.2403 8.3176 8.3176 8.3607 8.3607 8.4458 8.4458 9.1535 9.1535 9.2873 9.2873 9.5177 9.5177 10.9484 10.9484 12.3897 12.3897 12.4020 12.4020 12.8112 12.8112 k =-0.2510 0.4288 0.4969 ( 3239 PWs) bands (ev): -25.3468 -25.3468 -8.2469 -8.2469 -7.1882 -7.1882 -7.0479 -7.0479 -1.0770 -1.0770 0.7371 0.7371 4.1409 4.1409 5.9513 5.9513 6.3422 6.3422 6.4897 6.4897 7.3081 7.3081 7.9062 7.9062 8.1569 8.1569 8.2399 8.2399 8.3166 8.3166 8.3554 8.3554 8.4449 8.4449 9.1162 9.1162 9.2711 9.2711 9.5277 9.5277 10.8712 10.8712 12.3839 12.3839 12.4521 12.4521 12.8760 12.8760 k =-0.2440 0.4169 0.4831 ( 3241 PWs) bands (ev): -25.3468 -25.3468 -8.2467 -8.2467 -7.1880 -7.1880 -7.0475 -7.0475 -1.0995 -1.0995 0.7810 0.7810 4.1389 4.1389 5.9214 5.9214 6.3284 6.3284 6.4897 6.4897 7.3148 7.3148 7.9002 7.9002 8.1666 8.1666 8.2375 8.2375 8.3191 8.3191 8.3549 8.3549 8.4454 8.4454 9.0797 9.0797 9.2572 9.2572 9.5390 9.5390 10.7945 10.7945 12.3693 12.3693 12.5058 12.5058 12.9435 12.9435 k =-0.2371 0.4050 0.4693 ( 3235 PWs) bands (ev): -25.3469 -25.3469 -8.2464 -8.2464 -7.1875 -7.1875 -7.0472 -7.0472 -1.1245 -1.1245 0.8244 0.8244 4.1407 4.1407 5.8919 5.8919 6.3175 6.3175 6.4909 6.4909 7.3213 7.3213 7.8934 7.8934 8.1706 8.1706 8.2354 8.2354 8.3260 8.3260 8.3584 8.3584 8.4470 8.4470 9.0443 9.0443 9.2452 9.2452 9.5513 9.5513 10.7183 10.7183 12.3576 12.3576 12.5490 12.5490 13.0138 13.0138 k =-0.2301 0.3931 0.4555 ( 3239 PWs) bands (ev): -25.3469 -25.3469 -8.2459 -8.2459 -7.1866 -7.1866 -7.0471 -7.0471 -1.1518 -1.1518 0.8672 0.8672 4.1458 4.1458 5.8635 5.8635 6.3095 6.3095 6.4932 6.4932 7.3276 7.3276 7.8858 7.8858 8.1667 8.1667 8.2369 8.2369 8.3366 8.3366 8.3647 8.3647 8.4495 8.4495 9.0101 9.0101 9.2350 9.2350 9.5647 9.5647 10.6431 10.6431 12.3487 12.3487 12.5791 12.5791 13.0874 13.0874 k =-0.2231 0.3812 0.4417 ( 3237 PWs) bands (ev): -25.3470 -25.3470 -8.2453 -8.2453 -7.1854 -7.1854 -7.0470 -7.0470 -1.1813 -1.1813 0.9092 0.9092 4.1537 4.1537 5.8369 5.8369 6.3049 6.3049 6.4966 6.4966 7.3338 7.3338 7.8778 7.8778 8.1558 8.1558 8.2427 8.2427 8.3501 8.3501 8.3732 8.3732 8.4531 8.4531 8.9773 8.9773 9.2264 9.2264 9.5794 9.5794 10.5688 10.5688 12.3427 12.3427 12.5942 12.5942 13.1641 13.1641 k =-0.2161 0.3692 0.4279 ( 3229 PWs) bands (ev): -25.3470 -25.3470 -8.2444 -8.2444 -7.1838 -7.1838 -7.0470 -7.0470 -1.2127 -1.2127 0.9504 0.9504 4.1636 4.1636 5.8127 5.8127 6.3038 6.3038 6.5010 6.5010 7.3399 7.3399 7.8692 7.8692 8.1407 8.1407 8.2510 8.2510 8.3656 8.3656 8.3836 8.3836 8.4575 8.4575 8.9460 8.9460 9.2192 9.2192 9.5952 9.5952 10.4958 10.4958 12.3393 12.3393 12.5931 12.5931 13.2436 13.2436 k =-0.2092 0.3573 0.4141 ( 3233 PWs) bands (ev): -25.3471 -25.3471 -8.2435 -8.2435 -7.1820 -7.1820 -7.0471 -7.0471 -1.2459 -1.2459 0.9905 0.9905 4.1748 4.1748 5.7916 5.7916 6.3064 6.3064 6.5064 6.5064 7.3458 7.3458 7.8602 7.8602 8.1231 8.1231 8.2606 8.2606 8.3823 8.3823 8.3954 8.3954 8.4626 8.4626 8.9161 8.9161 9.2135 9.2135 9.6123 9.6123 10.4241 10.4241 12.3385 12.3385 12.5758 12.5758 13.3254 13.3254 k =-0.2022 0.3454 0.4002 ( 3237 PWs) bands (ev): -25.3472 -25.3472 -8.2424 -8.2424 -7.1798 -7.1798 -7.0473 -7.0473 -1.2806 -1.2806 1.0294 1.0294 4.1865 4.1865 5.7746 5.7746 6.3129 6.3129 6.5127 6.5127 7.3515 7.3515 7.8509 7.8509 8.1043 8.1043 8.2708 8.2708 8.3996 8.3996 8.4087 8.4087 8.4684 8.4684 8.8879 8.8879 9.2093 9.2093 9.6306 9.6306 10.3539 10.3539 12.3401 12.3401 12.5431 12.5431 13.4088 13.4088 k =-0.1952 0.3335 0.3864 ( 3235 PWs) bands (ev): -25.3473 -25.3473 -8.2411 -8.2411 -7.1772 -7.1772 -7.0475 -7.0475 -1.3165 -1.3165 1.0671 1.0671 4.1979 4.1979 5.7623 5.7623 6.3234 6.3234 6.5199 6.5199 7.3570 7.3570 7.8414 7.8414 8.0850 8.0850 8.2814 8.2814 8.4166 8.4166 8.4236 8.4236 8.4749 8.4749 8.8616 8.8616 9.2065 9.2065 9.6502 9.6502 10.2852 10.2852 12.3440 12.3440 12.4967 12.4967 13.4932 13.4932 k =-0.1882 0.3216 0.3726 ( 3239 PWs) bands (ev): -25.3475 -25.3475 -8.2398 -8.2398 -7.1744 -7.1744 -7.0478 -7.0478 -1.3536 -1.3536 1.1034 1.1034 4.2082 4.2082 5.7554 5.7554 6.3379 6.3379 6.5280 6.5280 7.3625 7.3625 7.8316 7.8316 8.0653 8.0653 8.2921 8.2921 8.4323 8.4323 8.4406 8.4406 8.4818 8.4818 8.8372 8.8372 9.2051 9.2051 9.6711 9.6711 10.2182 10.2182 12.3496 12.3496 12.4392 12.4392 13.5778 13.5778 k =-0.1813 0.3097 0.3588 ( 3243 PWs) bands (ev): -25.3476 -25.3476 -8.2383 -8.2383 -7.1714 -7.1714 -7.0482 -7.0482 -1.3914 -1.3914 1.1382 1.1382 4.2167 4.2167 5.7545 5.7545 6.3565 6.3565 6.5369 6.5369 7.3677 7.3677 7.8217 7.8217 8.0457 8.0457 8.3029 8.3029 8.4472 8.4472 8.4587 8.4587 8.4894 8.4894 8.8146 8.8146 9.2052 9.2052 9.6934 9.6934 10.1530 10.1530 12.3515 12.3515 12.3782 12.3782 13.6618 13.6618 k =-0.1743 0.2978 0.3450 ( 3243 PWs) bands (ev): -25.3477 -25.3477 -8.2368 -8.2368 -7.1680 -7.1680 -7.0487 -7.0487 -1.4299 -1.4299 1.1714 1.1714 4.2228 4.2228 5.7602 5.7602 6.3792 6.3792 6.5465 6.5465 7.3729 7.3729 7.8116 7.8116 8.0262 8.0262 8.3137 8.3137 8.4617 8.4617 8.4768 8.4768 8.4979 8.4979 8.7943 8.7943 9.2069 9.2069 9.7168 9.7168 10.0897 10.0897 12.2933 12.2933 12.3721 12.3721 13.7447 13.7447 k =-0.1673 0.2859 0.3312 ( 3243 PWs) bands (ev): -25.3479 -25.3479 -8.2351 -8.2351 -7.1644 -7.1644 -7.0492 -7.0492 -1.4687 -1.4687 1.2030 1.2030 4.2260 4.2260 5.7727 5.7727 6.4059 6.4059 6.5569 6.5569 7.3779 7.3779 7.8016 7.8016 8.0069 8.0069 8.3244 8.3244 8.4757 8.4757 8.4933 8.4933 8.5084 8.5084 8.7763 8.7763 9.2104 9.2104 9.7416 9.7416 10.0283 10.0283 12.2145 12.2145 12.3832 12.3832 13.8257 13.8257 k =-0.1604 0.2740 0.3174 ( 3245 PWs) bands (ev): -25.3481 -25.3481 -8.2334 -8.2334 -7.1606 -7.1606 -7.0497 -7.0497 -1.5076 -1.5076 1.2330 1.2330 4.2260 4.2260 5.7921 5.7921 6.4366 6.4366 6.5679 6.5679 7.3828 7.3828 7.7915 7.7915 7.9879 7.9879 8.3348 8.3348 8.4889 8.4889 8.5065 8.5065 8.5228 8.5228 8.7608 8.7608 9.2156 9.2156 9.7674 9.7674 9.9691 9.9691 12.1314 12.1314 12.3965 12.3965 13.9036 13.9036 k =-0.1534 0.2620 0.3036 ( 3243 PWs) bands (ev): -25.3482 -25.3482 -8.2316 -8.2316 -7.1566 -7.1566 -7.0503 -7.0503 -1.5465 -1.5465 1.2612 1.2612 4.2226 4.2226 5.8182 5.8182 6.4709 6.4709 6.5796 6.5796 7.3877 7.3877 7.7814 7.7814 7.9693 7.9693 8.3448 8.3448 8.5006 8.5006 8.5180 8.5180 8.5399 8.5399 8.7480 8.7480 9.2228 9.2228 9.7937 9.7937 9.9126 9.9126 12.0461 12.0461 12.4114 12.4114 13.9773 13.9773 k =-0.1464 0.2501 0.2898 ( 3239 PWs) bands (ev): -25.3484 -25.3484 -8.2298 -8.2298 -7.1525 -7.1525 -7.0509 -7.0509 -1.5852 -1.5852 1.2877 1.2877 4.2161 4.2161 5.8507 5.8507 6.5087 6.5087 6.5920 6.5920 7.3924 7.3924 7.7714 7.7714 7.9511 7.9511 8.3543 8.3543 8.5100 8.5100 8.5300 8.5300 8.5577 8.5577 8.7381 8.7381 9.2322 9.2322 9.8159 9.8159 9.8634 9.8634 11.9595 11.9595 12.4274 12.4274 14.0440 14.0440 k =-0.1394 0.2382 0.2760 ( 3239 PWs) bands (ev): -25.3486 -25.3486 -8.2280 -8.2280 -7.1482 -7.1482 -7.0515 -7.0515 -1.6233 -1.6233 1.3125 1.3125 4.2066 4.2066 5.8891 5.8891 6.5491 6.5491 6.6057 6.6057 7.3970 7.3970 7.7615 7.7615 7.9334 7.9334 8.3631 8.3631 8.5173 8.5173 8.5429 8.5429 8.5754 8.5754 8.7312 8.7312 9.2439 9.2439 9.7936 9.7936 9.8620 9.8620 11.8728 11.8728 12.4441 12.4441 14.0965 14.0965 k =-0.1325 0.2263 0.2622 ( 3237 PWs) bands (ev): -25.3488 -25.3488 -8.2262 -8.2262 -7.1438 -7.1438 -7.0522 -7.0522 -1.6608 -1.6608 1.3355 1.3355 4.1944 4.1944 5.9326 5.9326 6.5894 6.5894 6.6229 6.6229 7.4016 7.4016 7.7517 7.7517 7.9162 7.9162 8.3712 8.3712 8.5229 8.5229 8.5564 8.5564 8.5927 8.5927 8.7276 8.7276 9.2583 9.2583 9.7451 9.7451 9.8898 9.8898 11.7864 11.7864 12.4611 12.4611 14.1088 14.1088 k =-0.1255 0.2144 0.2484 ( 3229 PWs) bands (ev): -25.3489 -25.3489 -8.2243 -8.2243 -7.1394 -7.1394 -7.0528 -7.0528 -1.6975 -1.6975 1.3568 1.3568 4.1799 4.1799 5.9805 5.9805 6.6188 6.6188 6.6542 6.6542 7.4062 7.4062 7.7420 7.7420 7.8996 7.8996 8.3784 8.3784 8.5272 8.5272 8.5703 8.5703 8.6094 8.6094 8.7271 8.7271 9.2754 9.2754 9.6963 9.6963 9.9210 9.9210 11.7010 11.7010 12.4780 12.4780 14.0474 14.0474 k =-0.1185 0.2025 0.2346 ( 3231 PWs) bands (ev): -25.3491 -25.3491 -8.2225 -8.2225 -7.1349 -7.1349 -7.0535 -7.0535 -1.7332 -1.7332 1.3764 1.3764 4.1637 4.1637 6.0318 6.0318 6.6362 6.6362 6.7001 6.7001 7.4109 7.4109 7.7325 7.7325 7.8836 7.8836 8.3847 8.3847 8.5302 8.5302 8.5842 8.5842 8.6254 8.6254 8.7298 8.7298 9.2956 9.2956 9.6491 9.6491 9.9536 9.9536 11.6168 11.6168 12.4940 12.4940 13.9442 13.9442 k =-0.1116 0.1906 0.2208 ( 3231 PWs) bands (ev): -25.3493 -25.3493 -8.2207 -8.2207 -7.1304 -7.1304 -7.0541 -7.0541 -1.7676 -1.7676 1.3943 1.3943 4.1461 4.1461 6.0857 6.0857 6.6508 6.6508 6.7510 6.7510 7.4156 7.4156 7.7233 7.7233 7.8682 7.8682 8.3902 8.3902 8.5321 8.5321 8.5984 8.5984 8.6406 8.6406 8.7352 8.7352 9.3191 9.3191 9.6039 9.6039 9.9871 9.9871 11.5342 11.5342 12.5082 12.5082 13.8259 13.8259 k =-0.1046 0.1787 0.2070 ( 3231 PWs) bands (ev): -25.3495 -25.3495 -8.2190 -8.2190 -7.1260 -7.1260 -7.0547 -7.0547 -1.8008 -1.8008 1.4107 1.4107 4.1276 4.1276 6.1413 6.1413 6.6648 6.6648 6.8039 6.8039 7.4206 7.4206 7.7143 7.7143 7.8535 7.8535 8.3950 8.3950 8.5331 8.5331 8.6126 8.6126 8.6551 8.6551 8.7430 8.7430 9.3460 9.3460 9.5611 9.5611 10.0213 10.0213 11.4532 11.4532 12.5197 12.5197 13.7028 13.7028 k =-0.0976 0.1668 0.1932 ( 3227 PWs) bands (ev): -25.3497 -25.3497 -8.2173 -8.2173 -7.1216 -7.1216 -7.0552 -7.0552 -1.8325 -1.8325 1.4256 1.4256 4.1086 4.1086 6.1974 6.1974 6.6786 6.6786 6.8579 6.8579 7.4258 7.4258 7.7056 7.7056 7.8396 7.8396 8.3992 8.3992 8.5332 8.5332 8.6270 8.6270 8.6689 8.6689 8.7528 8.7528 9.3760 9.3760 9.5210 9.5210 10.0558 10.0558 11.3738 11.3738 12.5268 12.5268 13.5811 13.5811 k =-0.0906 0.1548 0.1794 ( 3221 PWs) bands (ev): -25.3498 -25.3498 -8.2156 -8.2156 -7.1174 -7.1174 -7.0557 -7.0557 -1.8626 -1.8626 1.4391 1.4391 4.0895 4.0895 6.2533 6.2533 6.6925 6.6925 6.9121 6.9121 7.4314 7.4314 7.6974 7.6974 7.8264 7.8264 8.4031 8.4031 8.5325 8.5325 8.6414 8.6414 8.6822 8.6822 8.7639 8.7639 9.4070 9.4070 9.4864 9.4864 10.0903 10.0903 11.2962 11.2962 12.5275 12.5275 13.4653 13.4653 k =-0.0837 0.1429 0.1656 ( 3225 PWs) bands (ev): -25.3500 -25.3500 -8.2141 -8.2141 -7.1134 -7.1134 -7.0562 -7.0562 -1.8910 -1.8910 1.4511 1.4511 4.0707 4.0707 6.3079 6.3079 6.7064 6.7064 6.9656 6.9656 7.4375 7.4375 7.6894 7.6894 7.8140 7.8140 8.4066 8.4066 8.5312 8.5312 8.6559 8.6559 8.6949 8.6949 8.7759 8.7759 9.4204 9.4204 9.4758 9.4758 10.1247 10.1247 11.2200 11.2200 12.5194 12.5194 13.3598 13.3598 k =-0.0767 0.1310 0.1518 ( 3217 PWs) bands (ev): -25.3502 -25.3502 -8.2127 -8.2127 -7.1096 -7.1096 -7.0566 -7.0566 -1.9176 -1.9176 1.4618 1.4618 4.0524 4.0524 6.3603 6.3603 6.7205 6.7205 7.0175 7.0175 7.4443 7.4443 7.6819 7.6819 7.8024 7.8024 8.4103 8.4103 8.5294 8.5294 8.6702 8.6702 8.7072 8.7072 8.7884 8.7884 9.3970 9.3970 9.5088 9.5088 10.1585 10.1585 11.1452 11.1452 12.4996 12.4996 13.2686 13.2686 k =-0.0697 0.1191 0.1380 ( 3217 PWs) bands (ev): -25.3503 -25.3503 -8.2113 -8.2113 -7.1060 -7.1060 -7.0569 -7.0569 -1.9422 -1.9422 1.4713 1.4713 4.0349 4.0349 6.4097 6.4097 6.7348 6.7348 7.0668 7.0668 7.4521 7.4521 7.6748 7.6748 7.7918 7.7918 8.4140 8.4140 8.5269 8.5269 8.6842 8.6842 8.7191 8.7191 8.8012 8.8012 9.3665 9.3665 9.5556 9.5556 10.1913 10.1913 11.0715 11.0715 12.4663 12.4663 13.1945 13.1945 k =-0.0627 0.1072 0.1242 ( 3221 PWs) bands (ev): -25.3504 -25.3504 -8.2100 -8.2100 -7.1027 -7.1027 -7.0571 -7.0571 -1.9648 -1.9648 1.4797 1.4797 4.0185 4.0185 6.4552 6.4552 6.7493 6.7493 7.1125 7.1125 7.4610 7.4610 7.6683 7.6683 7.7819 7.7819 8.4180 8.4180 8.5238 8.5238 8.6977 8.6977 8.7305 8.7305 8.8141 8.8141 9.3365 9.3365 9.6087 9.6087 10.2228 10.2228 10.9986 10.9986 12.4195 12.4195 13.1367 13.1367 k =-0.0558 0.0953 0.1104 ( 3229 PWs) bands (ev): -25.3506 -25.3506 -8.2089 -8.2089 -7.0997 -7.0997 -7.0572 -7.0572 -1.9852 -1.9852 1.4869 1.4869 4.0033 4.0033 6.4961 6.4961 6.7640 6.7640 7.1537 7.1537 7.4713 7.4713 7.6622 7.6622 7.7730 7.7730 8.4224 8.4224 8.5203 8.5203 8.7104 8.7104 8.7414 8.7414 8.8269 8.8269 9.3083 9.3083 9.6668 9.6668 10.2523 10.2523 10.9263 10.9263 12.3618 12.3618 13.0865 13.0865 k =-0.0488 0.0834 0.0966 ( 3225 PWs) bands (ev): -25.3507 -25.3507 -8.2079 -8.2079 -7.0971 -7.0971 -7.0573 -7.0573 -2.0034 -2.0034 1.4932 1.4932 3.9895 3.9895 6.5319 6.5319 6.7789 6.7789 7.1897 7.1897 7.4828 7.4828 7.6567 7.6567 7.7652 7.7652 8.4273 8.4273 8.5163 8.5163 8.7222 8.7222 8.7518 8.7518 8.8395 8.8395 9.2822 9.2822 9.7294 9.7294 10.2793 10.2793 10.8545 10.8545 12.2978 12.2978 13.0176 13.0176 k =-0.0418 0.0715 0.0828 ( 3225 PWs) bands (ev): -25.3508 -25.3508 -8.2070 -8.2070 -7.0948 -7.0948 -7.0572 -7.0572 -2.0193 -2.0193 1.4985 1.4985 3.9773 3.9773 6.5622 6.5622 6.7937 6.7937 7.2198 7.2198 7.4955 7.4955 7.6517 7.6517 7.7585 7.7585 8.4327 8.4327 8.5119 8.5119 8.7327 8.7327 8.7615 8.7615 8.8517 8.8517 9.2585 9.2585 9.7958 9.7958 10.3031 10.3031 10.7830 10.7830 12.2325 12.2325 12.9320 12.9320 k =-0.0349 0.0596 0.0690 ( 3225 PWs) bands (ev): -25.3509 -25.3509 -8.2062 -8.2062 -7.0929 -7.0929 -7.0572 -7.0572 -2.0329 -2.0329 1.5028 1.5028 3.9668 3.9668 6.5870 6.5870 6.8079 6.8079 7.2441 7.2441 7.5087 7.5087 7.6474 7.6474 7.7528 7.7528 8.4384 8.4384 8.5070 8.5070 8.7419 8.7419 8.7704 8.7704 8.8632 8.8632 9.2376 9.2376 9.8653 9.8653 10.3227 10.3227 10.7124 10.7124 12.1704 12.1704 12.8510 12.8510 k =-0.0279 0.0476 0.0552 ( 3225 PWs) bands (ev): -25.3509 -25.3509 -8.2056 -8.2056 -7.0914 -7.0914 -7.0571 -7.0571 -2.0441 -2.0441 1.5063 1.5063 3.9580 3.9580 6.6065 6.6065 6.8209 6.8209 7.2627 7.2627 7.5215 7.5215 7.6435 7.6435 7.7482 7.7482 8.4444 8.4444 8.5018 8.5018 8.7494 8.7494 8.7783 8.7783 8.8737 8.8737 9.2197 9.2197 9.9372 9.9372 10.3365 10.3365 10.6439 10.6439 12.1151 12.1151 12.7813 12.7813 k =-0.0209 0.0357 0.0414 ( 3211 PWs) bands (ev): -25.3510 -25.3510 -8.2051 -8.2051 -7.0902 -7.0902 -7.0569 -7.0569 -2.0529 -2.0529 1.5090 1.5090 3.9512 3.9512 6.6210 6.6210 6.8320 6.8320 7.2764 7.2764 7.5330 7.5330 7.6404 7.6404 7.7449 7.7449 8.4506 8.4506 8.4966 8.4966 8.7553 8.7553 8.7848 8.7848 8.8827 8.8827 9.2052 9.2052 10.0101 10.0101 10.3416 10.3416 10.5805 10.5805 12.0694 12.0694 12.7255 12.7255 k =-0.0139 0.0238 0.0276 ( 3201 PWs) bands (ev): -25.3510 -25.3510 -8.2047 -8.2047 -7.0894 -7.0894 -7.0568 -7.0568 -2.0591 -2.0591 1.5109 1.5109 3.9462 3.9462 6.6311 6.6311 6.8405 6.8405 7.2856 7.2856 7.5421 7.5421 7.6380 7.6380 7.7425 7.7425 8.4565 8.4565 8.4914 8.4914 8.7596 8.7596 8.7897 8.7897 8.8897 8.8897 9.1944 9.1944 10.0817 10.0817 10.3330 10.3330 10.5287 10.5287 12.0353 12.0353 12.6848 12.6848 k =-0.0070 0.0119 0.0138 ( 3205 PWs) bands (ev): -25.3510 -25.3510 -8.2045 -8.2045 -7.0889 -7.0889 -7.0567 -7.0567 -2.0629 -2.0629 1.5120 1.5120 3.9432 3.9432 6.6369 6.6369 6.8458 6.8458 7.2909 7.2909 7.5479 7.5479 7.6366 7.6366 7.7409 7.7409 8.4612 8.4612 8.4871 8.4871 8.7621 8.7621 8.7927 8.7927 8.8942 8.8942 9.1878 9.1878 10.1463 10.1463 10.3072 10.3072 10.4969 10.4969 12.0143 12.0143 12.6600 12.6600 k = 0.0000 0.0000 0.0000 ( 3213 PWs) bands (ev): -25.3511 -25.3511 -8.2045 -8.2045 -7.0887 -7.0887 -7.0567 -7.0567 -2.0642 -2.0642 1.5124 1.5124 3.9422 3.9422 6.6388 6.6388 6.8476 6.8476 7.2926 7.2926 7.5499 7.5499 7.6361 7.6361 7.7403 7.7403 8.4632 8.4632 8.4852 8.4852 8.7628 8.7628 8.7937 8.7937 8.8956 8.8956 9.1855 9.1855 10.1804 10.1804 10.2855 10.2855 10.4869 10.4869 12.0072 12.0072 12.6517 12.6517 k = 0.0000 0.0000 0.0000 ( 3213 PWs) bands (ev): -25.3511 -25.3511 -8.2045 -8.2045 -7.0887 -7.0887 -7.0567 -7.0567 -2.0642 -2.0642 1.5124 1.5124 3.9422 3.9422 6.6388 6.6388 6.8476 6.8476 7.2926 7.2926 7.5499 7.5499 7.6361 7.6361 7.7403 7.7403 8.4632 8.4632 8.4852 8.4852 8.7628 8.7628 8.7937 8.7937 8.8956 8.8956 9.1855 9.1855 10.1804 10.1804 10.2855 10.2855 10.4869 10.4869 12.0072 12.0072 12.6517 12.6517 k = 0.0167 0.0098 0.0000 ( 3205 PWs) bands (ev): -25.3511 -25.3511 -8.2045 -8.2045 -7.0887 -7.0887 -7.0568 -7.0568 -2.0628 -2.0628 1.5058 1.5058 3.9499 3.9499 6.6388 6.6388 6.8477 6.8477 7.2918 7.2918 7.5488 7.5488 7.6352 7.6352 7.7404 7.7404 8.4641 8.4641 8.4835 8.4835 8.7629 8.7629 8.7938 8.7938 8.8958 8.8958 9.1855 9.1855 10.1815 10.1815 10.2887 10.2887 10.4904 10.4904 12.0105 12.0105 12.6411 12.6411 k = 0.0333 0.0195 0.0000 ( 3209 PWs) bands (ev): -25.3510 -25.3510 -8.2045 -8.2045 -7.0887 -7.0887 -7.0570 -7.0570 -2.0589 -2.0589 1.4864 1.4864 3.9728 3.9728 6.6387 6.6387 6.8482 6.8482 7.2892 7.2892 7.5455 7.5455 7.6329 7.6329 7.7404 7.7404 8.4667 8.4667 8.4785 8.4785 8.7630 8.7630 8.7940 8.7940 8.8960 8.8960 9.1855 9.1855 10.1849 10.1849 10.2984 10.2984 10.5008 10.5008 12.0203 12.0203 12.6123 12.6123 k = 0.0500 0.0293 0.0000 ( 3217 PWs) bands (ev): -25.3510 -25.3510 -8.2046 -8.2046 -7.0888 -7.0888 -7.0573 -7.0573 -2.0523 -2.0523 1.4549 1.4549 4.0099 4.0099 6.6385 6.6385 6.8489 6.8489 7.2851 7.2851 7.5400 7.5400 7.6290 7.6290 7.7405 7.7405 8.4702 8.4702 8.4710 8.4710 8.7630 8.7630 8.7943 8.7943 8.8964 8.8964 9.1855 9.1855 10.1905 10.1905 10.3145 10.3145 10.5180 10.5180 12.0366 12.0366 12.5714 12.5714 k = 0.0667 0.0390 0.0000 ( 3217 PWs) bands (ev): -25.3510 -25.3510 -8.2048 -8.2048 -7.0888 -7.0888 -7.0577 -7.0577 -2.0431 -2.0431 1.4124 1.4124 4.0601 4.0601 6.6385 6.6385 6.8500 6.8500 7.2794 7.2794 7.5324 7.5324 7.6239 7.6239 7.7405 7.7405 8.4592 8.4592 8.4771 8.4771 8.7630 8.7630 8.7947 8.7947 8.8968 8.8968 9.1856 9.1856 10.1980 10.1980 10.3370 10.3370 10.5419 10.5419 12.0595 12.0595 12.5238 12.5238 k = 0.0833 0.0488 0.0000 ( 3209 PWs) bands (ev): -25.3510 -25.3510 -8.2049 -8.2049 -7.0888 -7.0888 -7.0582 -7.0582 -2.0314 -2.0314 1.3604 1.3604 4.1218 4.1218 6.6383 6.6383 6.8515 6.8515 7.2723 7.2723 7.5228 7.5228 7.6175 7.6175 7.7406 7.7406 8.4455 8.4455 8.4851 8.4851 8.7632 8.7632 8.7956 8.7956 8.8977 8.8977 9.1856 9.1856 10.2072 10.2072 10.3654 10.3654 10.5721 10.5721 12.0889 12.0889 12.4730 12.4730 k = 0.1000 0.0585 0.0000 ( 3209 PWs) bands (ev): -25.3510 -25.3510 -8.2051 -8.2051 -7.0888 -7.0888 -7.0589 -7.0589 -2.0171 -2.0171 1.3003 1.3003 4.1933 4.1933 6.6380 6.6380 6.8532 6.8532 7.2638 7.2638 7.5113 7.5113 7.6102 7.6102 7.7408 7.7408 8.4295 8.4295 8.4949 8.4949 8.7633 8.7633 8.7966 8.7966 8.8986 8.8986 9.1856 9.1856 10.2180 10.2180 10.3998 10.3998 10.6085 10.6085 12.1249 12.1249 12.4212 12.4212 k = 0.1167 0.0683 0.0000 ( 3225 PWs) bands (ev): -25.3510 -25.3510 -8.2053 -8.2053 -7.0889 -7.0889 -7.0596 -7.0596 -2.0003 -2.0003 1.2336 1.2336 4.2729 4.2729 6.6377 6.6377 6.8552 6.8552 7.2540 7.2540 7.4981 7.4981 7.6023 7.6023 7.7411 7.7411 8.4113 8.4113 8.5066 8.5066 8.7635 8.7635 8.7978 8.7978 8.8998 8.8998 9.1854 9.1854 10.2299 10.2299 10.4397 10.4397 10.6508 10.6508 12.1674 12.1674 12.3697 12.3697 k = 0.1333 0.0780 0.0000 ( 3229 PWs) bands (ev): -25.3510 -25.3510 -8.2056 -8.2056 -7.0889 -7.0889 -7.0605 -7.0605 -1.9810 -1.9810 1.1614 1.1614 4.3590 4.3590 6.6373 6.6373 6.8575 6.8575 7.2432 7.2432 7.4833 7.4833 7.5941 7.5941 7.7414 7.7414 8.3914 8.3914 8.5208 8.5208 8.7637 8.7637 8.7994 8.7994 8.9012 8.9012 9.1855 9.1855 10.2426 10.2426 10.4849 10.4849 10.6986 10.6986 12.2164 12.2164 12.3195 12.3195 k = 0.1500 0.0878 0.0000 ( 3241 PWs) bands (ev): -25.3510 -25.3510 -8.2059 -8.2059 -7.0890 -7.0890 -7.0614 -7.0614 -1.9593 -1.9593 1.0852 1.0852 4.4500 4.4500 6.6370 6.6370 6.8603 6.8603 7.2315 7.2315 7.4672 7.4672 7.5859 7.5859 7.7417 7.7417 8.3702 8.3702 8.5370 8.5370 8.7638 8.7638 8.8014 8.8014 8.9028 8.9028 9.1855 9.1855 10.2559 10.2559 10.5352 10.5352 10.7516 10.7516 12.2709 12.2709 12.2718 12.2718 k = 0.1667 0.0976 0.0000 ( 3257 PWs) bands (ev): -25.3510 -25.3510 -8.2062 -8.2062 -7.0890 -7.0890 -7.0624 -7.0624 -1.9353 -1.9353 1.0057 1.0057 4.5445 4.5445 6.6366 6.6366 6.8634 6.8634 7.2190 7.2190 7.4498 7.4498 7.5780 7.5780 7.7421 7.7421 8.3477 8.3477 8.5558 8.5558 8.7641 8.7641 8.8039 8.8039 8.9048 8.9048 9.1854 9.1854 10.2695 10.2695 10.5901 10.5901 10.8095 10.8095 12.2244 12.2244 12.3336 12.3336 k = 0.1833 0.1073 0.0000 ( 3245 PWs) bands (ev): -25.3510 -25.3510 -8.2065 -8.2065 -7.0891 -7.0891 -7.0634 -7.0634 -1.9089 -1.9089 0.9240 0.9240 4.6412 4.6412 6.6363 6.6363 6.8670 6.8670 7.2061 7.2061 7.4315 7.4315 7.5712 7.5712 7.7426 7.7426 8.3248 8.3248 8.5772 8.5772 8.7644 8.7644 8.8069 8.8069 8.9071 8.9071 9.1856 9.1856 10.2830 10.2830 10.6495 10.6495 10.8719 10.8719 12.1803 12.1803 12.4016 12.4016 k = 0.2000 0.1171 0.0000 ( 3249 PWs) bands (ev): -25.3510 -25.3510 -8.2068 -8.2068 -7.0891 -7.0891 -7.0645 -7.0645 -1.8805 -1.8805 0.8408 0.8408 4.7387 4.7387 6.6359 6.6359 6.8709 6.8709 7.1926 7.1926 7.4123 7.4123 7.5653 7.5653 7.7430 7.7430 8.3015 8.3015 8.6015 8.6015 8.7648 8.7648 8.8107 8.8107 8.9096 8.9096 9.1856 9.1856 10.2964 10.2964 10.7128 10.7128 10.9384 10.9384 12.1385 12.1385 12.4758 12.4758 k = 0.2167 0.1268 0.0000 ( 3249 PWs) bands (ev): -25.3510 -25.3510 -8.2071 -8.2071 -7.0892 -7.0892 -7.0656 -7.0656 -1.8499 -1.8499 0.7568 0.7568 4.8358 4.8358 6.6355 6.6355 6.8751 6.8751 7.1790 7.1790 7.3925 7.3925 7.5610 7.5610 7.7437 7.7437 8.2780 8.2780 8.6288 8.6288 8.7652 8.7652 8.8154 8.8154 8.9124 8.9124 9.1857 9.1857 10.3094 10.3094 10.7797 10.7797 11.0088 11.0088 12.0992 12.0992 12.5559 12.5559 k = 0.2333 0.1366 0.0000 ( 3245 PWs) bands (ev): -25.3510 -25.3510 -8.2075 -8.2075 -7.0892 -7.0892 -7.0668 -7.0668 -1.8173 -1.8173 0.6725 0.6725 4.9314 4.9314 6.6351 6.6351 6.8798 6.8798 7.1652 7.1652 7.3722 7.3722 7.5585 7.5585 7.7443 7.7443 8.2547 8.2547 8.6592 8.6592 8.7656 8.7656 8.8215 8.8215 8.9154 8.9154 9.1858 9.1858 10.3218 10.3218 10.8497 10.8497 11.0825 11.0825 12.0625 12.0625 12.6418 12.6418 k = 0.2500 0.1463 0.0000 ( 3245 PWs) bands (ev): -25.3510 -25.3510 -8.2078 -8.2078 -7.0893 -7.0893 -7.0679 -7.0679 -1.7830 -1.7830 0.5884 0.5884 5.0243 5.0243 6.6348 6.6348 6.8848 6.8848 7.1516 7.1516 7.3516 7.3516 7.5581 7.5581 7.7450 7.7450 8.2318 8.2318 8.6919 8.6919 8.7661 8.7661 8.8299 8.8299 8.9186 8.9186 9.1859 9.1859 10.3336 10.3336 10.9224 10.9224 11.1591 11.1591 12.0282 12.0282 12.7333 12.7333 k = 0.2667 0.1561 0.0000 ( 3237 PWs) bands (ev): -25.3509 -25.3509 -8.2082 -8.2082 -7.0893 -7.0893 -7.0691 -7.0691 -1.7469 -1.7469 0.5050 0.5050 5.1136 5.1136 6.6344 6.6344 6.8903 6.8903 7.1382 7.1382 7.3309 7.3309 7.5599 7.5599 7.7457 7.7457 8.2096 8.2096 8.7256 8.7256 8.7665 8.7665 8.8428 8.8428 8.9219 8.9219 9.1861 9.1861 10.3446 10.3446 10.9973 10.9973 11.2382 11.2382 11.9964 11.9964 12.8303 12.8303 k = 0.2833 0.1658 0.0000 ( 3237 PWs) bands (ev): -25.3509 -25.3509 -8.2085 -8.2085 -7.0894 -7.0894 -7.0702 -7.0702 -1.7094 -1.7094 0.4228 0.4228 5.1982 5.1982 6.6340 6.6340 6.8962 6.8962 7.1251 7.1251 7.3102 7.3102 7.5640 7.5640 7.7464 7.7464 8.1881 8.1881 8.7562 8.7562 8.7670 8.7670 8.8643 8.8643 8.9253 8.9253 9.1863 9.1863 10.3549 10.3549 11.0739 11.0739 11.3193 11.3193 11.9670 11.9670 12.9325 12.9325 k = 0.3000 0.1756 0.0000 ( 3237 PWs) bands (ev): -25.3509 -25.3509 -8.2089 -8.2089 -7.0895 -7.0895 -7.0713 -7.0713 -1.6706 -1.6706 0.3420 0.3420 5.2774 5.2774 6.6337 6.6337 6.9025 6.9025 7.1125 7.1125 7.2897 7.2897 7.5703 7.5703 7.7471 7.7471 8.1676 8.1676 8.7674 8.7674 8.7793 8.7793 8.8994 8.8994 8.9287 8.9287 9.1868 9.1868 10.3644 10.3644 11.1513 11.1513 11.4018 11.4018 11.9398 11.9398 13.0397 13.0397 k = 0.3167 0.1854 0.0000 ( 3245 PWs) bands (ev): -25.3509 -25.3509 -8.2092 -8.2092 -7.0895 -7.0895 -7.0724 -7.0724 -1.6307 -1.6307 0.2633 0.2633 5.3506 5.3506 6.6334 6.6334 6.9091 6.9091 7.1005 7.1005 7.2694 7.2694 7.5786 7.5786 7.7476 7.7476 8.1482 8.1482 8.7678 8.7678 8.7943 8.7943 8.9320 8.9320 8.9491 8.9491 9.1875 9.1875 10.3730 10.3730 11.2289 11.2289 11.4850 11.4850 11.9147 11.9147 12.9140 12.9140 k = 0.3333 0.1951 0.0000 ( 3253 PWs) bands (ev): -25.3509 -25.3509 -8.2095 -8.2095 -7.0896 -7.0896 -7.0734 -7.0734 -1.5903 -1.5903 0.1869 0.1869 5.4171 5.4171 6.6331 6.6331 6.9162 6.9162 7.0892 7.0892 7.2496 7.2496 7.5884 7.5884 7.7483 7.7483 8.1301 8.1301 8.7682 8.7682 8.8041 8.8041 8.9353 8.9353 9.0101 9.0101 9.1889 9.1889 10.3808 10.3808 11.3056 11.3056 11.5682 11.5682 11.8915 11.8915 12.6949 12.6949 k = 0.3500 0.2049 0.0000 ( 3261 PWs) bands (ev): -25.3509 -25.3509 -8.2098 -8.2098 -7.0896 -7.0896 -7.0744 -7.0744 -1.5495 -1.5495 0.1135 0.1135 5.4766 5.4766 6.6328 6.6328 6.9235 6.9235 7.0788 7.0788 7.2303 7.2303 7.5997 7.5997 7.7489 7.7489 8.1134 8.1134 8.7686 8.7686 8.8111 8.8111 8.9385 8.9385 9.0791 9.0791 9.1925 9.1925 10.3878 10.3878 11.3799 11.3799 11.6505 11.6505 11.8697 11.8697 12.4826 12.4826 k = 0.3667 0.2146 0.0000 ( 3269 PWs) bands (ev): -25.3509 -25.3509 -8.2101 -8.2101 -7.0897 -7.0897 -7.0753 -7.0753 -1.5090 -1.5090 0.0436 0.0436 5.5291 5.5291 6.6325 6.6325 6.9312 6.9312 7.0691 7.0691 7.2118 7.2118 7.6116 7.6116 7.7495 7.7495 8.0981 8.0981 8.7689 8.7689 8.8165 8.8165 8.9416 8.9416 9.1447 9.1447 9.2080 9.2080 10.3939 10.3939 11.4495 11.4495 11.7308 11.7308 11.8484 11.8484 12.2806 12.2806 k = 0.3833 0.2244 0.0000 ( 3277 PWs) bands (ev): -25.3509 -25.3509 -8.2104 -8.2104 -7.0897 -7.0897 -7.0761 -7.0761 -1.4693 -1.4693 -0.0221 -0.0221 5.5745 5.5745 6.6323 6.6323 6.9390 6.9390 7.0604 7.0604 7.1941 7.1941 7.6237 7.6237 7.7500 7.7500 8.0844 8.0844 8.7692 8.7692 8.8209 8.8209 8.9444 8.9444 9.1722 9.1722 9.2690 9.2690 10.3993 10.3993 11.5098 11.5098 11.8079 11.8079 11.8249 11.8249 12.0963 12.0963 k = 0.4000 0.2341 0.0000 ( 3269 PWs) bands (ev): -25.3509 -25.3509 -8.2106 -8.2106 -7.0897 -7.0897 -7.0768 -7.0768 -1.4313 -1.4313 -0.0827 -0.0827 5.6130 5.6130 6.6322 6.6322 6.9470 6.9470 7.0529 7.0529 7.1776 7.1776 7.6355 7.6355 7.7505 7.7505 8.0725 8.0725 8.7696 8.7696 8.8246 8.8246 8.9471 8.9471 9.1778 9.1778 9.3578 9.3578 10.4039 10.4039 11.5465 11.5465 11.7933 11.7933 11.8805 11.8805 11.9503 11.9503 k = 0.4167 0.2439 0.0000 ( 3268 PWs) bands (ev): -25.3509 -25.3509 -8.2108 -8.2108 -7.0898 -7.0898 -7.0774 -7.0774 -1.3958 -1.3958 -0.1374 -0.1374 5.6448 5.6448 6.6320 6.6320 6.9549 6.9549 7.0463 7.0463 7.1623 7.1623 7.6464 7.6464 7.7509 7.7509 8.0623 8.0623 8.7698 8.7698 8.8276 8.8276 8.9494 8.9494 9.1797 9.1797 9.4538 9.4538 10.4078 10.4078 11.5188 11.5188 11.7649 11.7649 11.8731 11.8731 11.9468 11.9468 k = 0.4333 0.2536 0.0000 ( 3280 PWs) bands (ev): -25.3509 -25.3509 -8.2109 -8.2109 -7.0898 -7.0898 -7.0779 -7.0779 -1.3641 -1.3641 -0.1849 -0.1849 5.6702 5.6702 6.6319 6.6319 6.9623 6.9623 7.0409 7.0409 7.1487 7.1487 7.6558 7.6558 7.7510 7.7510 8.0539 8.0539 8.7700 8.7700 8.8300 8.8300 8.9513 8.9513 9.1806 9.1806 9.5508 9.5508 10.4110 10.4110 11.4138 11.4138 11.7763 11.7763 11.8430 11.8430 12.0049 12.0049 k = 0.4500 0.2634 0.0000 ( 3288 PWs) bands (ev): -25.3509 -25.3509 -8.2111 -8.2111 -7.0898 -7.0898 -7.0783 -7.0783 -1.3373 -1.3373 -0.2240 -0.2240 5.6896 5.6896 6.6319 6.6319 6.9691 6.9691 7.0367 7.0367 7.1372 7.1372 7.6635 7.6635 7.7513 7.7513 8.0470 8.0470 8.7701 8.7701 8.8319 8.8319 8.9528 8.9528 9.1811 9.1811 9.6430 9.6430 10.4133 10.4133 11.2896 11.2896 11.8041 11.8041 11.8291 11.8291 12.0530 12.0530 k = 0.4667 0.2732 0.0000 ( 3280 PWs) bands (ev): -25.3509 -25.3509 -8.2111 -8.2111 -7.0898 -7.0898 -7.0786 -7.0786 -1.3168 -1.3168 -0.2532 -0.2532 5.7032 5.7032 6.6318 6.6318 6.9745 6.9745 7.0337 7.0337 7.1284 7.1284 7.6693 7.6693 7.7515 7.7515 8.0423 8.0423 8.7702 8.7702 8.8332 8.8332 8.9539 8.9539 9.1814 9.1814 9.7219 9.7219 10.4150 10.4150 11.1814 11.1814 11.8173 11.8173 11.8337 11.8337 12.0891 12.0891 k = 0.4833 0.2829 0.0000 ( 3276 PWs) bands (ev): -25.3509 -25.3509 -8.2112 -8.2112 -7.0899 -7.0899 -7.0788 -7.0788 -1.3040 -1.3040 -0.2714 -0.2714 5.7113 5.7113 6.6318 6.6318 6.9782 6.9782 7.0319 7.0319 7.1227 7.1227 7.6728 7.6728 7.7516 7.7516 8.0395 8.0395 8.7703 8.7703 8.8341 8.8341 8.9546 8.9546 9.1816 9.1816 9.7768 9.7768 10.4161 10.4161 11.1075 11.1075 11.8141 11.8141 11.8498 11.8498 12.1114 12.1114 k = 0.5000 0.2927 0.0000 ( 3276 PWs) bands (ev): -25.3509 -25.3509 -8.2112 -8.2112 -7.0899 -7.0899 -7.0789 -7.0789 -1.2996 -1.2996 -0.2775 -0.2775 5.7139 5.7139 6.6318 6.6318 6.9795 6.9795 7.0313 7.0313 7.1207 7.1207 7.6740 7.6740 7.7516 7.7516 8.0385 8.0385 8.7704 8.7704 8.8343 8.8343 8.9549 8.9549 9.1816 9.1816 9.7967 9.7967 10.4164 10.4164 11.0810 11.0810 11.8128 11.8128 11.8557 11.8557 12.1190 12.1190 k = 0.5000 0.2927 0.0000 ( 3276 PWs) bands (ev): -25.3509 -25.3509 -8.2112 -8.2112 -7.0899 -7.0899 -7.0789 -7.0789 -1.2996 -1.2996 -0.2775 -0.2775 5.7139 5.7139 6.6318 6.6318 6.9795 6.9795 7.0313 7.0313 7.1207 7.1207 7.6740 7.6740 7.7516 7.7516 8.0385 8.0385 8.7704 8.7704 8.8343 8.8343 8.9549 8.9549 9.1816 9.1816 9.7967 9.7967 10.4164 10.4164 11.0810 11.0810 11.8128 11.8128 11.8557 11.8557 12.1190 12.1190 k = 0.4931 0.3045 0.0137 ( 3268 PWs) bands (ev): -25.3509 -25.3509 -8.2113 -8.2113 -7.0900 -7.0900 -7.0789 -7.0789 -1.2988 -1.2988 -0.2766 -0.2766 5.7128 5.7128 6.6289 6.6289 6.9757 6.9757 7.0309 7.0309 7.1203 7.1203 7.6749 7.6749 7.7522 7.7522 8.0413 8.0413 8.7696 8.7696 8.8320 8.8320 8.9522 8.9522 9.1829 9.1829 9.7987 9.7987 10.4213 10.4213 11.0775 11.0775 11.8176 11.8176 11.8552 11.8552 12.1175 12.1175 k = 0.4862 0.3163 0.0273 ( 3270 PWs) bands (ev): -25.3508 -25.3508 -8.2115 -8.2115 -7.0905 -7.0905 -7.0789 -7.0789 -1.2964 -1.2964 -0.2738 -0.2738 5.7094 5.7094 6.6202 6.6202 6.9649 6.9649 7.0296 7.0296 7.1191 7.1191 7.6774 7.6774 7.7532 7.7532 8.0493 8.0493 8.7672 8.7672 8.8252 8.8252 8.9445 8.9445 9.1869 9.1869 9.8042 9.8042 10.4358 10.4358 11.0669 11.0669 11.8313 11.8313 11.8544 11.8544 12.1131 12.1131 k = 0.4793 0.3281 0.0410 ( 3268 PWs) bands (ev): -25.3508 -25.3508 -8.2118 -8.2118 -7.0913 -7.0913 -7.0788 -7.0788 -1.2924 -1.2924 -0.2692 -0.2692 5.7034 5.7034 6.6055 6.6055 6.9484 6.9484 7.0271 7.0271 7.1173 7.1173 7.6814 7.6814 7.7548 7.7548 8.0621 8.0621 8.7629 8.7629 8.8142 8.8142 8.9331 8.9331 9.1931 9.1931 9.8125 9.8125 10.4593 10.4593 11.0491 11.0491 11.8442 11.8442 11.8635 11.8635 12.1067 12.1067 k = 0.4724 0.3399 0.0547 ( 3272 PWs) bands (ev): -25.3507 -25.3507 -8.2122 -8.2122 -7.0925 -7.0925 -7.0787 -7.0787 -1.2869 -1.2869 -0.2627 -0.2627 5.6944 5.6944 6.5850 6.5850 6.9280 6.9280 7.0231 7.0231 7.1154 7.1154 7.6869 7.6869 7.7571 7.7571 8.0786 8.0786 8.7560 8.7560 8.7998 8.7998 8.9194 8.9194 9.2013 9.2013 9.8222 9.8222 10.4911 10.4911 11.0239 11.0239 11.8431 11.8431 11.8959 11.8959 12.0993 12.0993 k = 0.4655 0.3517 0.0684 ( 3268 PWs) bands (ev): -25.3507 -25.3507 -8.2127 -8.2127 -7.0941 -7.0941 -7.0785 -7.0785 -1.2798 -1.2798 -0.2544 -0.2544 5.6819 5.6819 6.5588 6.5588 6.9054 6.9054 7.0173 7.0173 7.1137 7.1137 7.6938 7.6938 7.7603 7.7603 8.0979 8.0979 8.7452 8.7452 8.7839 8.7839 8.9046 8.9046 9.2111 9.2111 9.8322 9.8322 10.5300 10.5300 10.9912 10.9912 11.8395 11.8395 11.9404 11.9404 12.0919 12.0919 k = 0.4586 0.3635 0.0820 ( 3266 PWs) bands (ev): -25.3506 -25.3506 -8.2133 -8.2133 -7.0961 -7.0961 -7.0781 -7.0781 -1.2714 -1.2714 -0.2442 -0.2442 5.6651 5.6651 6.5279 6.5279 6.8821 6.8821 7.0093 7.0093 7.1128 7.1128 7.7019 7.7019 7.7639 7.7639 8.1190 8.1190 8.7286 8.7286 8.7693 8.7693 8.8895 8.8895 9.2222 9.2222 9.8415 9.8415 10.5745 10.5745 10.9512 10.9512 11.8362 11.8362 11.9946 11.9946 12.0857 12.0857 k = 0.4517 0.3753 0.0957 ( 3270 PWs) bands (ev): -25.3505 -25.3505 -8.2141 -8.2141 -7.0984 -7.0984 -7.0776 -7.0776 -1.2616 -1.2616 -0.2323 -0.2323 5.6433 5.6433 6.4934 6.4934 6.8592 6.8592 6.9990 6.9990 7.1128 7.1128 7.7110 7.7110 7.7682 7.7682 8.1409 8.1409 8.7061 8.7061 8.7571 8.7571 8.8744 8.8744 9.2343 9.2343 9.8494 9.8494 10.6233 10.6233 10.9042 10.9042 11.8341 11.8341 12.0541 12.0541 12.0848 12.0848 k = 0.4448 0.3871 0.1094 ( 3274 PWs) bands (ev): -25.3504 -25.3504 -8.2150 -8.2150 -7.1012 -7.1012 -7.0770 -7.0770 -1.2505 -1.2505 -0.2185 -0.2185 5.6154 5.6154 6.4572 6.4572 6.8372 6.8372 6.9863 6.9863 7.1140 7.1140 7.7209 7.7209 7.7733 7.7733 8.1631 8.1631 8.6801 8.6801 8.7462 8.7462 8.8593 8.8593 9.2471 9.2471 9.8552 9.8552 10.6749 10.6749 10.8509 10.8509 11.8339 11.8339 12.0712 12.0712 12.1363 12.1363 k = 0.4378 0.3988 0.1230 ( 3264 PWs) bands (ev): -25.3503 -25.3503 -8.2159 -8.2159 -7.1042 -7.1042 -7.0763 -7.0763 -1.2382 -1.2382 -0.2029 -0.2029 5.5808 5.5808 6.4213 6.4213 6.8163 6.8163 6.9715 6.9715 7.1162 7.1162 7.7316 7.7316 7.7792 7.7792 8.1848 8.1848 8.6525 8.6525 8.7355 8.7355 8.8442 8.8442 9.2603 9.2603 9.8587 9.8587 10.7273 10.7273 10.7929 10.7929 11.8361 11.8361 12.0697 12.0697 12.2151 12.2151 k = 0.4309 0.4106 0.1367 ( 3276 PWs) bands (ev): -25.3501 -25.3501 -8.2170 -8.2170 -7.1076 -7.1076 -7.0754 -7.0754 -1.2249 -1.2249 -0.1856 -0.1856 5.5388 5.5388 6.3875 6.3875 6.7963 6.7963 6.9547 6.9547 7.1195 7.1195 7.7427 7.7427 7.7856 7.7856 8.2055 8.2055 8.6245 8.6245 8.7242 8.7242 8.8289 8.8289 9.2736 9.2736 9.8595 9.8595 10.7247 10.7247 10.7860 10.7860 11.8407 11.8407 12.0685 12.0685 12.2994 12.2994 k = 0.4240 0.4224 0.1504 ( 3276 PWs) bands (ev): -25.3500 -25.3500 -8.2181 -8.2181 -7.1112 -7.1112 -7.0745 -7.0745 -1.2106 -1.2106 -0.1666 -0.1666 5.4894 5.4894 6.3572 6.3572 6.7772 6.7772 6.9361 6.9361 7.1237 7.1237 7.7543 7.7543 7.7929 7.7929 8.2248 8.2248 8.5970 8.5970 8.7125 8.7125 8.8134 8.8134 9.2870 9.2870 9.8573 9.8573 10.6583 10.6583 10.8395 10.8395 11.8477 11.8477 12.0682 12.0682 12.3819 12.3819 k = 0.4171 0.4342 0.1640 ( 3268 PWs) bands (ev): -25.3499 -25.3499 -8.2194 -8.2194 -7.1150 -7.1150 -7.0735 -7.0735 -1.1955 -1.1955 -0.1458 -0.1458 5.4327 5.4327 6.3312 6.3312 6.7587 6.7587 6.9161 6.9161 7.1286 7.1286 7.7662 7.7662 7.8010 7.8010 8.2424 8.2424 8.5708 8.5708 8.7001 8.7001 8.7976 8.7976 9.3003 9.3003 9.8518 9.8518 10.5879 10.5879 10.8942 10.8942 11.8568 11.8568 12.0689 12.0689 12.4406 12.4406 k = 0.4102 0.4460 0.1777 ( 3264 PWs) bands (ev): -25.3497 -25.3497 -8.2207 -8.2207 -7.1190 -7.1190 -7.0724 -7.0724 -1.1798 -1.1798 -0.1233 -0.1233 5.3694 5.3694 6.3098 6.3098 6.7408 6.7408 6.8947 6.8947 7.1342 7.1342 7.7781 7.7781 7.8099 7.8099 8.2580 8.2580 8.5459 8.5459 8.6871 8.6871 8.7813 8.7813 9.3132 9.3132 9.8427 9.8427 10.5154 10.5154 10.9490 10.9490 11.8672 11.8672 12.0710 12.0710 12.4371 12.4371 k = 0.4033 0.4578 0.1914 ( 3252 PWs) bands (ev): -25.3495 -25.3495 -8.2221 -8.2221 -7.1232 -7.1232 -7.0713 -7.0713 -1.1635 -1.1635 -0.0992 -0.0992 5.3007 5.3007 6.2927 6.2927 6.7233 6.7233 6.8722 6.8722 7.1404 7.1404 7.7901 7.7901 7.8197 7.8197 8.2712 8.2712 8.5229 8.5229 8.6734 8.6734 8.7648 8.7648 9.3259 9.3259 9.8300 9.8300 10.4417 10.4417 11.0038 11.0038 11.8778 11.8778 12.0747 12.0747 12.3933 12.3933 k = 0.3964 0.4696 0.2051 ( 3250 PWs) bands (ev): -25.3494 -25.3494 -8.2235 -8.2235 -7.1275 -7.1275 -7.0701 -7.0701 -1.1470 -1.1470 -0.0734 -0.0734 5.2277 5.2277 6.2793 6.2793 6.7061 6.7061 6.8487 6.8487 7.1470 7.1470 7.8018 7.8018 7.8302 7.8302 8.2817 8.2817 8.5017 8.5017 8.6592 8.6592 8.7477 8.7477 9.3379 9.3379 9.8134 9.8134 10.3675 10.3675 11.0587 11.0587 11.8870 11.8870 12.0809 12.0809 12.3445 12.3445 k = 0.3895 0.4814 0.2187 ( 3238 PWs) bands (ev): -25.3492 -25.3492 -8.2250 -8.2250 -7.1318 -7.1318 -7.0688 -7.0688 -1.1303 -1.1303 -0.0461 -0.0461 5.1517 5.1517 6.2690 6.2690 6.6894 6.6894 6.8245 6.8245 7.1540 7.1540 7.8134 7.8134 7.8415 7.8415 8.2893 8.2893 8.4829 8.4829 8.6445 8.6445 8.7302 8.7302 9.3495 9.3495 9.7930 9.7930 10.2936 10.2936 11.1139 11.1139 11.8930 11.8930 12.0909 12.0909 12.3016 12.3016 k = 0.3826 0.4932 0.2324 ( 3244 PWs) bands (ev): -25.3490 -25.3490 -8.2265 -8.2265 -7.1362 -7.1362 -7.0675 -7.0675 -1.1137 -1.1137 -0.0172 -0.0172 5.0738 5.0738 6.2610 6.2610 6.6730 6.6730 6.7994 6.7994 7.1613 7.1613 7.8247 7.8247 7.8535 7.8535 8.2939 8.2939 8.4662 8.4662 8.6293 8.6293 8.7122 8.7122 9.3603 9.3603 9.7690 9.7690 10.2203 10.2203 11.1696 11.1696 11.8938 11.8938 12.1058 12.1058 12.2677 12.2677 k = 0.3757 0.5050 0.2461 ( 3240 PWs) bands (ev): -25.3488 -25.3488 -8.2281 -8.2281 -7.1406 -7.1406 -7.0662 -7.0662 -1.0973 -1.0973 0.0131 0.0131 4.9952 4.9952 6.2545 6.2545 6.6570 6.6570 6.7738 6.7738 7.1688 7.1688 7.8358 7.8358 7.8663 7.8663 8.2955 8.2955 8.4520 8.4520 8.6140 8.6140 8.6938 8.6938 9.3704 9.3704 9.7416 9.7416 10.1480 10.1480 11.2261 11.2261 11.8878 11.8878 12.1262 12.1262 12.2437 12.2437 k = 0.3688 0.5168 0.2597 ( 3244 PWs) bands (ev): -25.3487 -25.3487 -8.2297 -8.2297 -7.1449 -7.1449 -7.0649 -7.0649 -1.0815 -1.0815 0.0450 0.0450 4.9168 4.9168 6.2490 6.2490 6.6414 6.6414 6.7477 6.7477 7.1766 7.1766 7.8464 7.8464 7.8797 7.8797 8.2942 8.2942 8.4398 8.4398 8.5984 8.5984 8.6750 8.6750 9.3799 9.3799 9.7113 9.7113 10.0772 10.0772 11.2837 11.2837 11.8747 11.8747 12.1518 12.1518 12.2300 12.2300 k = 0.3619 0.5286 0.2734 ( 3244 PWs) bands (ev): -25.3485 -25.3485 -8.2313 -8.2313 -7.1492 -7.1492 -7.0636 -7.0636 -1.0663 -1.0663 0.0782 0.0782 4.8396 4.8396 6.2436 6.2436 6.6264 6.6264 6.7213 6.7213 7.1845 7.1845 7.8567 7.8567 7.8937 7.8937 8.2906 8.2906 8.4292 8.4292 8.5828 8.5828 8.6558 8.6558 9.3888 9.3888 9.6786 9.6786 10.0081 10.0081 11.3426 11.3426 11.8543 11.8543 12.1805 12.1805 12.2279 12.2279 k = 0.3550 0.5404 0.2871 ( 3236 PWs) bands (ev): -25.3483 -25.3483 -8.2328 -8.2328 -7.1533 -7.1533 -7.0622 -7.0622 -1.0520 -1.0520 0.1127 0.1127 4.7642 4.7642 6.2381 6.2381 6.6119 6.6119 6.6948 6.6948 7.1926 7.1926 7.8665 7.8665 7.9083 7.9083 8.2851 8.2851 8.4198 8.4198 8.5675 8.5675 8.6362 8.6362 9.3970 9.3970 9.6442 9.6442 9.9410 9.9410 11.4029 11.4029 11.8270 11.8270 12.2060 12.2060 12.2424 12.2424 k = 0.3481 0.5522 0.3007 ( 3232 PWs) bands (ev): -25.3482 -25.3482 -8.2344 -8.2344 -7.1574 -7.1574 -7.0609 -7.0609 -1.0388 -1.0388 0.1485 0.1485 4.6914 4.6914 6.2317 6.2317 6.5979 6.5979 6.6683 6.6683 7.2007 7.2007 7.8758 7.8758 7.9234 7.9234 8.2785 8.2785 8.4110 8.4110 8.5523 8.5523 8.6163 8.6163 9.4046 9.4046 9.6086 9.6086 9.8761 9.8761 11.4648 11.4648 11.7932 11.7932 12.2248 12.2248 12.2759 12.2759 k = 0.3412 0.5640 0.3144 ( 3232 PWs) bands (ev): -25.3480 -25.3480 -8.2359 -8.2359 -7.1612 -7.1612 -7.0596 -7.0596 -1.0270 -1.0270 0.1855 0.1855 4.6217 4.6217 6.2240 6.2240 6.5846 6.5846 6.6417 6.6417 7.2089 7.2089 7.8844 7.8844 7.9391 7.9391 8.2712 8.2712 8.4023 8.4023 8.5375 8.5375 8.5961 8.5961 9.4115 9.4115 9.5726 9.5726 9.8133 9.8133 11.5282 11.5282 11.7533 11.7533 12.2449 12.2449 12.3189 12.3189 k = 0.3343 0.5758 0.3281 ( 3236 PWs) bands (ev): -25.3478 -25.3478 -8.2374 -8.2374 -7.1649 -7.1649 -7.0584 -7.0584 -1.0168 -1.0168 0.2237 0.2237 4.5556 4.5556 6.2148 6.2148 6.5719 6.5719 6.6153 6.6153 7.2171 7.2171 7.8923 7.8923 7.9552 7.9552 8.2639 8.2639 8.3935 8.3935 8.5232 8.5232 8.5759 8.5759 9.4178 9.4178 9.5367 9.5367 9.7531 9.7531 11.5922 11.5922 11.7087 11.7087 12.2701 12.2701 12.3669 12.3669 k = 0.3274 0.5876 0.3418 ( 3236 PWs) bands (ev): -25.3477 -25.3477 -8.2388 -8.2388 -7.1684 -7.1684 -7.0572 -7.0572 -1.0084 -1.0084 0.2629 0.2629 4.4936 4.4936 6.2037 6.2037 6.5599 6.5599 6.5892 6.5892 7.2252 7.2252 7.8994 7.8994 7.9719 7.9719 8.2570 8.2570 8.3845 8.3845 8.5095 8.5095 8.5556 8.5556 9.4233 9.4233 9.5014 9.5014 9.6957 9.6957 11.6372 11.6372 11.6792 11.6792 12.3004 12.3004 12.4186 12.4186 k = 0.3205 0.5994 0.3554 ( 3240 PWs) bands (ev): -25.3476 -25.3476 -8.2401 -8.2401 -7.1717 -7.1717 -7.0560 -7.0560 -1.0019 -1.0019 0.3030 0.3030 4.4360 4.4360 6.1906 6.1906 6.5487 6.5487 6.5634 6.5634 7.2333 7.2333 7.9056 7.9056 7.9889 7.9889 8.2507 8.2507 8.3752 8.3752 8.4963 8.4963 8.5356 8.5356 9.4275 9.4275 9.4673 9.4673 9.6414 9.6414 11.5929 11.5929 11.7359 11.7359 12.3357 12.3357 12.4731 12.4731 k = 0.3135 0.6112 0.3691 ( 3226 PWs) bands (ev): -25.3474 -25.3474 -8.2414 -8.2414 -7.1747 -7.1747 -7.0548 -7.0548 -0.9977 -0.9977 0.3440 0.3440 4.3832 4.3832 6.1753 6.1753 6.5367 6.5367 6.5396 6.5396 7.2414 7.2414 7.9108 7.9108 8.0064 8.0064 8.2452 8.2452 8.3660 8.3660 8.4834 8.4834 8.5165 8.5165 9.4252 9.4252 9.4394 9.4394 9.5913 9.5913 11.5327 11.5327 11.8057 11.8057 12.3754 12.3754 12.5291 12.5291 k = 0.3066 0.6230 0.3828 ( 3231 PWs) bands (ev): -25.3473 -25.3473 -8.2425 -8.2425 -7.1774 -7.1774 -7.0538 -7.0538 -0.9957 -0.9957 0.3858 0.3858 4.3353 4.3353 6.1577 6.1577 6.5126 6.5126 6.5291 6.5291 7.2493 7.2493 7.9151 7.9151 8.0240 8.0240 8.2409 8.2409 8.3570 8.3570 8.4698 8.4698 8.4987 8.4987 9.3980 9.3980 9.4341 9.4341 9.5471 9.5471 11.4678 11.4678 11.8778 11.8778 12.4189 12.4189 12.5769 12.5769 k = 0.2997 0.6348 0.3964 ( 3227 PWs) bands (ev): -25.3472 -25.3472 -8.2436 -8.2436 -7.1799 -7.1799 -7.0528 -7.0528 -0.9962 -0.9962 0.4283 0.4283 4.2926 4.2926 6.1380 6.1380 6.4881 6.4881 6.5205 6.5205 7.2571 7.2571 7.9181 7.9181 8.0418 8.0418 8.2378 8.2378 8.3486 8.3486 8.4549 8.4549 8.4837 8.4837 9.3664 9.3664 9.4268 9.4268 9.5137 9.5137 11.3994 11.3994 11.9513 11.9513 12.4651 12.4651 12.5722 12.5722 k = 0.2928 0.6466 0.4101 ( 3231 PWs) bands (ev): -25.3471 -25.3471 -8.2445 -8.2445 -7.1820 -7.1820 -7.0518 -7.0518 -0.9994 -0.9994 0.4713 0.4713 4.2552 4.2552 6.1162 6.1162 6.4641 6.4641 6.5129 6.5129 7.2647 7.2647 7.9200 7.9200 8.0597 8.0597 8.2359 8.2359 8.3410 8.3410 8.4380 8.4380 8.4720 8.4720 9.3341 9.3341 9.4079 9.4079 9.4964 9.4964 11.3283 11.3283 12.0258 12.0258 12.5080 12.5080 12.5479 12.5479 k = 0.2928 0.6466 0.4101 ( 3231 PWs) bands (ev): -25.3471 -25.3471 -8.2445 -8.2445 -7.1820 -7.1820 -7.0518 -7.0518 -0.9994 -0.9994 0.4713 0.4713 4.2552 4.2552 6.1162 6.1162 6.4641 6.4641 6.5129 6.5129 7.2647 7.2647 7.9200 7.9200 8.0597 8.0597 8.2359 8.2359 8.3410 8.3410 8.4380 8.4380 8.4720 8.4720 9.3341 9.3341 9.4079 9.4079 9.4964 9.4964 11.3283 11.3283 12.0258 12.0258 12.5080 12.5080 12.5479 12.5479 k = 0.2745 0.6420 0.4154 ( 3229 PWs) bands (ev): -25.3471 -25.3471 -8.2448 -8.2448 -7.1828 -7.1828 -7.0515 -7.0515 -1.0019 -1.0019 0.4891 0.4891 4.2446 4.2446 6.0915 6.0915 6.4659 6.4659 6.5119 6.5119 7.2678 7.2678 7.9190 7.9190 8.0669 8.0669 8.2359 8.2359 8.3386 8.3386 8.4311 8.4311 8.4684 8.4684 9.2920 9.2920 9.4251 9.4251 9.4998 9.4998 11.2992 11.2992 12.0504 12.0504 12.4357 12.4357 12.5607 12.5607 k = 0.2562 0.6375 0.4207 ( 3231 PWs) bands (ev): -25.3470 -25.3470 -8.2451 -8.2451 -7.1835 -7.1835 -7.0511 -7.0511 -1.0060 -1.0060 0.5084 0.5084 4.2396 4.2396 6.0398 6.0398 6.4817 6.4817 6.5181 6.5181 7.2713 7.2713 7.9152 7.9152 8.0746 8.0746 8.2367 8.2367 8.3369 8.3369 8.4241 8.4241 8.4653 8.4653 9.2320 9.2320 9.4534 9.4534 9.5180 9.5180 11.2685 11.2685 12.0609 12.0609 12.3365 12.3365 12.5558 12.5558 k = 0.2379 0.6329 0.4260 ( 3230 PWs) bands (ev): -25.3470 -25.3470 -8.2454 -8.2454 -7.1842 -7.1842 -7.0507 -7.0507 -1.0111 -1.0111 0.5289 0.5289 4.2404 4.2404 5.9703 5.9703 6.4914 6.4914 6.5429 6.5429 7.2750 7.2750 7.9087 7.9087 8.0828 8.0828 8.2382 8.2382 8.3361 8.3361 8.4171 8.4171 8.4628 8.4628 9.1732 9.1732 9.4693 9.4693 9.5552 9.5552 11.2372 11.2372 12.0372 12.0372 12.2662 12.2662 12.5478 12.5478 k = 0.2196 0.6283 0.4313 ( 3234 PWs) bands (ev): -25.3470 -25.3470 -8.2456 -8.2456 -7.1848 -7.1848 -7.0504 -7.0504 -1.0170 -1.0170 0.5499 0.5499 4.2473 4.2473 5.8900 5.8900 6.4929 6.4929 6.5815 6.5815 7.2788 7.2788 7.8999 7.8999 8.0915 8.0915 8.2400 8.2400 8.3360 8.3360 8.4101 8.4101 8.4610 8.4610 9.1182 9.1182 9.4767 9.4767 9.6043 9.6043 11.2062 11.2062 11.9628 11.9628 12.2466 12.2466 12.5404 12.5404 k = 0.2013 0.6237 0.4366 ( 3230 PWs) bands (ev): -25.3470 -25.3470 -8.2458 -8.2458 -7.1853 -7.1853 -7.0500 -7.0500 -1.0235 -1.0235 0.5709 0.5709 4.2603 4.2603 5.8030 5.8030 6.4924 6.4924 6.6245 6.6245 7.2828 7.2828 7.8890 7.8890 8.1005 8.1005 8.2418 8.2418 8.3366 8.3366 8.4035 8.4035 8.4599 8.4599 9.0676 9.0676 9.4813 9.4813 9.6590 9.6590 11.1761 11.1761 11.8598 11.8598 12.2569 12.2569 12.5346 12.5346 k = 0.1830 0.6192 0.4419 ( 3230 PWs) bands (ev): -25.3469 -25.3469 -8.2460 -8.2460 -7.1859 -7.1859 -7.0496 -7.0496 -1.0302 -1.0302 0.5914 0.5914 4.2796 4.2796 5.7117 5.7117 6.4914 6.4914 6.6681 6.6681 7.2867 7.2867 7.8764 7.8764 8.1098 8.1098 8.2432 8.2432 8.3377 8.3377 8.3974 8.3974 8.4596 8.4596 9.0213 9.0213 9.4845 9.4845 9.7171 9.7171 11.1474 11.1474 11.7487 11.7487 12.2770 12.2770 12.5312 12.5312 k = 0.1647 0.6146 0.4472 ( 3233 PWs) bands (ev): -25.3469 -25.3469 -8.2462 -8.2462 -7.1863 -7.1863 -7.0493 -7.0493 -1.0368 -1.0368 0.6111 0.6111 4.3051 4.3051 5.6178 5.6178 6.4902 6.4902 6.7108 6.7108 7.2906 7.2906 7.8627 7.8627 8.1193 8.1193 8.2439 8.2439 8.3389 8.3389 8.3919 8.3919 8.4602 8.4602 8.9792 8.9792 9.4871 9.4871 9.7774 9.7774 11.1206 11.1206 11.6368 11.6368 12.2989 12.2989 12.5309 12.5309 k = 0.1464 0.6100 0.4525 ( 3241 PWs) bands (ev): -25.3469 -25.3469 -8.2463 -8.2463 -7.1867 -7.1867 -7.0490 -7.0490 -1.0433 -1.0433 0.6296 0.6296 4.3368 4.3368 5.5225 5.5225 6.4890 6.4890 6.7516 6.7516 7.2944 7.2944 7.8482 7.8482 8.1290 8.1290 8.2438 8.2438 8.3401 8.3401 8.3870 8.3870 8.4619 8.4619 8.9411 8.9411 9.4891 9.4891 9.8395 9.8395 11.0959 11.0959 11.5273 11.5273 12.3192 12.3192 12.5343 12.5343 k = 0.1281 0.6054 0.4578 ( 3243 PWs) bands (ev): -25.3469 -25.3469 -8.2465 -8.2465 -7.1871 -7.1871 -7.0487 -7.0487 -1.0495 -1.0495 0.6466 0.6466 4.3747 4.3747 5.4267 5.4267 6.4879 6.4879 6.7897 6.7897 7.2979 7.2979 7.8335 7.8335 8.1387 8.1387 8.2426 8.2426 8.3409 8.3409 8.3831 8.3831 8.4646 8.4646 8.9072 8.9072 9.4908 9.4908 9.9027 9.9027 11.0735 11.0735 11.4216 11.4216 12.3360 12.3360 12.5419 12.5419 k = 0.1098 0.6009 0.4631 ( 3246 PWs) bands (ev): -25.3469 -25.3469 -8.2466 -8.2466 -7.1874 -7.1874 -7.0484 -7.0484 -1.0550 -1.0550 0.6618 0.6618 4.4187 4.4187 5.3314 5.3314 6.4870 6.4870 6.8244 6.8244 7.3012 7.3012 7.8191 7.8191 8.1485 8.1485 8.2403 8.2403 8.3414 8.3414 8.3800 8.3800 8.4682 8.4682 8.8771 8.8771 9.4922 9.4922 9.9662 9.9662 11.0535 11.0535 11.3213 11.3213 12.3487 12.3487 12.5531 12.5531 k = 0.0915 0.5963 0.4684 ( 3248 PWs) bands (ev): -25.3469 -25.3469 -8.2467 -8.2467 -7.1877 -7.1877 -7.0482 -7.0482 -1.0600 -1.0600 0.6751 0.6751 4.4687 4.4687 5.2371 5.2371 6.4861 6.4861 6.8552 6.8552 7.3042 7.3042 7.8055 7.8055 8.1582 8.1582 8.2370 8.2370 8.3415 8.3415 8.3777 8.3777 8.4726 8.4726 8.8509 8.8509 9.4932 9.4932 10.0287 10.0287 11.0358 11.0358 11.2280 11.2280 12.3574 12.3574 12.5668 12.5668 k = 0.0732 0.5917 0.4737 ( 3245 PWs) bands (ev): -25.3468 -25.3468 -8.2468 -8.2468 -7.1879 -7.1879 -7.0480 -7.0480 -1.0641 -1.0641 0.6861 0.6861 4.5244 4.5244 5.1446 5.1446 6.4854 6.4854 6.8814 6.8814 7.3067 7.3067 7.7933 7.7933 8.1678 8.1678 8.2326 8.2326 8.3414 8.3414 8.3760 8.3760 8.4772 8.4772 8.8290 8.8290 9.4941 9.4941 10.0885 10.0885 11.0198 11.0198 11.1442 11.1442 12.3629 12.3629 12.5812 12.5812 k = 0.0549 0.5872 0.4790 ( 3244 PWs) bands (ev): -25.3468 -25.3468 -8.2468 -8.2468 -7.1881 -7.1881 -7.0478 -7.0478 -1.0674 -1.0674 0.6948 0.6948 4.5855 4.5855 5.0545 5.0545 6.4849 6.4849 6.9025 6.9025 7.3088 7.3088 7.7831 7.7831 8.1771 8.1771 8.2272 8.2272 8.3412 8.3412 8.3748 8.3748 8.4817 8.4817 8.8114 8.8114 9.4947 9.4947 10.1430 10.1430 11.0030 11.0030 11.0754 11.0754 12.3661 12.3661 12.5945 12.5945 k = 0.0366 0.5826 0.4843 ( 3246 PWs) bands (ev): -25.3468 -25.3468 -8.2469 -8.2469 -7.1882 -7.1882 -7.0477 -7.0477 -1.0699 -1.0699 0.7011 0.7011 4.6516 4.6516 4.9675 4.9675 6.4845 6.4845 6.9180 6.9180 7.3103 7.3103 7.7753 7.7753 8.1860 8.1860 8.2211 8.2211 8.3409 8.3409 8.3740 8.3740 8.4855 8.4855 8.7984 8.7984 9.4951 9.4951 10.1882 10.1882 10.9779 10.9779 11.0330 11.0330 12.3679 12.3679 12.6052 12.6052 k = 0.0183 0.5780 0.4896 ( 3248 PWs) bands (ev): -25.3468 -25.3468 -8.2469 -8.2469 -7.1883 -7.1883 -7.0477 -7.0477 -1.0713 -1.0713 0.7049 0.7049 4.7215 4.7215 4.8849 4.8849 6.4843 6.4843 6.9275 6.9275 7.3112 7.3112 7.7705 7.7705 8.1940 8.1940 8.2148 8.2148 8.3407 8.3407 8.3735 8.3735 8.4879 8.4879 8.7905 8.7905 9.4954 9.4954 10.2188 10.2188 10.9495 10.9495 11.0174 11.0174 12.3688 12.3688 12.6121 12.6121 k = 0.0000 0.5734 0.4949 ( 3242 PWs) bands (ev): -25.3468 -25.3468 -8.2469 -8.2469 -7.1883 -7.1883 -7.0476 -7.0476 -1.0718 -1.0718 0.7062 0.7062 4.7779 4.7779 4.8243 4.8243 6.4842 6.4842 6.9307 6.9307 7.3116 7.3116 7.7688 7.7688 8.1983 8.1983 8.2111 8.2111 8.3407 8.3407 8.3734 8.3734 8.4889 8.4889 8.7878 8.7878 9.4954 9.4954 10.2298 10.2298 10.9378 10.9378 11.0136 11.0136 12.3691 12.3691 12.6145 12.6145 k = 0.0000 0.5734 0.4949 ( 3242 PWs) bands (ev): -25.3468 -25.3468 -8.2469 -8.2469 -7.1883 -7.1883 -7.0476 -7.0476 -1.0718 -1.0718 0.7062 0.7062 4.7779 4.7779 4.8243 4.8243 6.4842 6.4842 6.9307 6.9307 7.3116 7.3116 7.7688 7.7688 8.1983 8.1983 8.2111 8.2111 8.3407 8.3407 8.3734 8.3734 8.4889 8.4889 8.7878 8.7878 9.4954 9.4954 10.2298 10.2298 10.9378 10.9378 11.0136 11.0136 12.3691 12.3691 12.6145 12.6145 k = 0.0069 0.5616 0.5086 ( 3240 PWs) bands (ev): -25.3468 -25.3468 -8.2469 -8.2469 -7.1883 -7.1883 -7.0477 -7.0477 -1.0718 -1.0718 0.7071 0.7071 4.7785 4.7785 4.8244 4.8244 6.4815 6.4815 6.9320 6.9320 7.3102 7.3102 7.7692 7.7692 8.1972 8.1972 8.2102 8.2102 8.3406 8.3406 8.3755 8.3755 8.4884 8.4884 8.7879 8.7879 9.4932 9.4932 10.2274 10.2274 10.9385 10.9385 10.9958 10.9958 12.3916 12.3916 12.6155 12.6155 k = 0.0139 0.5497 0.5224 ( 3242 PWs) bands (ev): -25.3468 -25.3468 -8.2470 -8.2470 -7.1882 -7.1882 -7.0480 -7.0480 -1.0717 -1.0717 0.7099 0.7099 4.7804 4.7804 4.8248 4.8248 6.4736 6.4736 6.9357 6.9357 7.3060 7.3060 7.7703 7.7703 8.1941 8.1941 8.2076 8.2076 8.3405 8.3405 8.3811 8.3811 8.4869 8.4869 8.7881 8.7881 9.4866 9.4866 10.2203 10.2203 10.9384 10.9384 10.9476 10.9476 12.4558 12.4558 12.6191 12.6191 k = 0.0208 0.5378 0.5361 ( 3240 PWs) bands (ev): -25.3468 -25.3468 -8.2470 -8.2470 -7.1881 -7.1881 -7.0484 -7.0484 -1.0716 -1.0716 0.7145 0.7145 4.7833 4.7833 4.8255 4.8255 6.4609 6.4609 6.9415 6.9415 7.2991 7.2991 7.7721 7.7721 8.1895 8.1895 8.2033 8.2033 8.3413 8.3413 8.3891 8.3891 8.4845 8.4845 8.7885 8.7885 9.4758 9.4758 10.2084 10.2084 10.8701 10.8701 10.9445 10.9445 12.5536 12.5536 12.6268 12.6268 k = 0.0278 0.5260 0.5499 ( 3236 PWs) bands (ev): -25.3467 -25.3467 -8.2471 -8.2471 -7.1880 -7.1880 -7.0489 -7.0489 -1.0714 -1.0714 0.7209 0.7209 4.7871 4.7871 4.8266 4.8266 6.4440 6.4440 6.9489 6.9489 7.2896 7.2896 7.7745 7.7745 8.1837 8.1837 8.1975 8.1975 8.3430 8.3430 8.3984 8.3984 8.4815 8.4815 8.7890 8.7890 9.4613 9.4613 10.1917 10.1917 10.7794 10.7794 10.9492 10.9492 12.6395 12.6395 12.6769 12.6769 k = 0.0347 0.5141 0.5636 ( 3232 PWs) bands (ev): -25.3466 -25.3466 -8.2472 -8.2472 -7.1878 -7.1878 -7.0496 -7.0496 -1.0712 -1.0712 0.7291 0.7291 4.7914 4.7914 4.8284 4.8284 6.4235 6.4235 6.9573 6.9573 7.2775 7.2775 7.7775 7.7775 8.1768 8.1768 8.1907 8.1907 8.3455 8.3455 8.4086 8.4086 8.4780 8.4780 8.7897 8.7897 9.4435 9.4435 10.1703 10.1703 10.6794 10.6794 10.9551 10.9551 12.6594 12.6594 12.8176 12.8176 k = 0.0417 0.5023 0.5774 ( 3238 PWs) bands (ev): -25.3466 -25.3466 -8.2473 -8.2473 -7.1876 -7.1876 -7.0504 -7.0504 -1.0709 -1.0709 0.7390 0.7390 4.7958 4.7958 4.8312 4.8312 6.4001 6.4001 6.9662 6.9662 7.2630 7.2630 7.7808 7.7808 8.1691 8.1691 8.1834 8.1834 8.3481 8.3481 8.4189 8.4189 8.4746 8.4746 8.7904 8.7904 9.4229 9.4229 10.1445 10.1445 10.5751 10.5751 10.9622 10.9622 12.6864 12.6864 12.9710 12.9710 k = 0.0486 0.4904 0.5911 ( 3236 PWs) bands (ev): -25.3465 -25.3465 -8.2474 -8.2474 -7.1874 -7.1874 -7.0514 -7.0514 -1.0706 -1.0706 0.7507 0.7507 4.7997 4.7997 4.8353 4.8353 6.3744 6.3744 6.9750 6.9750 7.2462 7.2462 7.7845 7.7845 8.1606 8.1606 8.1764 8.1764 8.3502 8.3502 8.4292 8.4292 8.4718 8.4718 8.7911 8.7911 9.4000 9.4000 10.1144 10.1144 10.4699 10.4699 10.9703 10.9703 12.7207 12.7207 13.1316 13.1316 k = 0.0556 0.4785 0.6049 ( 3234 PWs) bands (ev): -25.3464 -25.3464 -8.2476 -8.2476 -7.1872 -7.1872 -7.0524 -7.0524 -1.0703 -1.0703 0.7640 0.7640 4.8026 4.8026 4.8411 4.8411 6.3469 6.3469 6.9833 6.9833 7.2275 7.2275 7.7884 7.7884 8.1516 8.1516 8.1699 8.1699 8.3509 8.3509 8.4388 8.4388 8.4704 8.4704 8.7918 8.7918 9.3753 9.3753 10.0804 10.0804 10.3660 10.3660 10.9792 10.9792 12.7621 12.7621 13.2847 13.2847 k = 0.0625 0.4667 0.6186 ( 3234 PWs) bands (ev): -25.3463 -25.3463 -8.2478 -8.2478 -7.1870 -7.1870 -7.0535 -7.0535 -1.0700 -1.0700 0.7789 0.7789 4.8044 4.8044 4.8483 4.8483 6.3183 6.3183 6.9908 6.9908 7.2070 7.2070 7.7924 7.7924 8.1422 8.1422 8.1640 8.1640 8.3496 8.3496 8.4474 8.4474 8.4711 8.4711 8.7925 8.7925 9.3494 9.3494 10.0431 10.0431 10.2652 10.2652 10.9887 10.9887 12.8101 12.8101 13.3923 13.3923 k = 0.0694 0.4548 0.6324 ( 3240 PWs) bands (ev): -25.3461 -25.3461 -8.2480 -8.2480 -7.1868 -7.1868 -7.0546 -7.0546 -1.0696 -1.0696 0.7954 0.7954 4.8052 4.8052 4.8566 4.8566 6.2889 6.2889 6.9972 6.9972 7.1851 7.1851 7.7961 7.7961 8.1328 8.1328 8.1587 8.1587 8.3461 8.3461 8.4545 8.4545 8.4746 8.4746 8.7931 8.7931 9.3225 9.3225 10.0029 10.0029 10.1685 10.1685 10.9987 10.9987 12.8639 12.8639 13.4814 13.4814 k = 0.0764 0.4429 0.6461 ( 3244 PWs) bands (ev): -25.3460 -25.3460 -8.2482 -8.2482 -7.1866 -7.1866 -7.0558 -7.0558 -1.0692 -1.0692 0.8134 0.8134 4.8051 4.8051 4.8656 4.8656 6.2592 6.2592 7.0021 7.0021 7.1622 7.1622 7.7996 7.7996 8.1239 8.1239 8.1540 8.1540 8.3402 8.3402 8.4602 8.4602 8.4805 8.4805 8.7936 8.7936 9.2950 9.2950 9.9605 9.9605 10.0767 10.0767 11.0088 11.0088 12.9227 12.9227 13.5692 13.5692 k = 0.0833 0.4311 0.6599 ( 3242 PWs) bands (ev): -25.3458 -25.3458 -8.2485 -8.2485 -7.1864 -7.1864 -7.0570 -7.0570 -1.0687 -1.0687 0.8327 0.8327 4.8043 4.8043 4.8747 4.8747 6.2295 6.2295 7.0054 7.0054 7.1390 7.1390 7.8027 7.8027 8.1157 8.1157 8.1499 8.1499 8.3322 8.3322 8.4655 8.4655 8.4878 8.4878 8.7939 8.7939 9.2672 9.2672 9.9163 9.9163 9.9905 9.9905 11.0188 11.0188 12.9854 12.9854 13.6575 13.6575 k = 0.0903 0.4192 0.6736 ( 3238 PWs) bands (ev): -25.3457 -25.3457 -8.2488 -8.2488 -7.1863 -7.1863 -7.0582 -7.0582 -1.0683 -1.0683 0.8533 0.8533 4.8029 4.8029 4.8834 4.8834 6.2002 6.2002 7.0065 7.0065 7.1162 7.1162 7.8052 7.8052 8.1082 8.1082 8.1464 8.1464 8.3225 8.3225 8.4708 8.4708 8.4955 8.4955 8.7940 8.7940 9.2393 9.2393 9.8712 9.8712 9.9101 9.9101 11.0282 11.0282 13.0512 13.0512 13.7459 13.7459 k = 0.0972 0.4073 0.6873 ( 3238 PWs) bands (ev): -25.3455 -25.3455 -8.2491 -8.2491 -7.1863 -7.1863 -7.0593 -7.0593 -1.0679 -1.0679 0.8752 0.8752 4.8009 4.8009 4.8915 4.8915 6.1716 6.1716 7.0048 7.0048 7.0946 7.0946 7.8068 7.8068 8.1017 8.1017 8.1434 8.1434 8.3115 8.3115 8.4761 8.4761 8.5032 8.5032 8.7938 8.7938 9.2113 9.2113 9.8253 9.8253 9.8361 9.8361 11.0367 11.0367 13.1190 13.1190 13.8336 13.8336 k = 0.1042 0.3955 0.7011 ( 3238 PWs) bands (ev): -25.3454 -25.3454 -8.2494 -8.2494 -7.1863 -7.1863 -7.0604 -7.0604 -1.0674 -1.0674 0.8981 0.8981 4.7984 4.7984 4.8984 4.8984 6.1439 6.1439 6.9996 6.9996 7.0757 7.0757 7.8076 7.8076 8.0963 8.0963 8.1410 8.1410 8.2996 8.2996 8.4813 8.4813 8.5107 8.5107 8.7933 8.7933 9.1835 9.1835 9.7671 9.7671 9.7807 9.7807 11.0440 11.0440 13.1879 13.1879 13.8558 13.8558 k = 0.1111 0.3836 0.7148 ( 3234 PWs) bands (ev): -25.3452 -25.3452 -8.2498 -8.2498 -7.1864 -7.1864 -7.0614 -7.0614 -1.0670 -1.0670 0.9219 0.9219 4.7953 4.7953 4.9039 4.9039 6.1174 6.1174 6.9903 6.9903 7.0605 7.0605 7.8074 7.8074 8.0920 8.0920 8.1390 8.1390 8.2872 8.2872 8.4864 8.4864 8.5179 8.5179 8.7925 8.7925 9.1558 9.1558 9.7053 9.7053 9.7358 9.7358 11.0494 11.0494 13.2570 13.2570 13.7644 13.7644 k = 0.1181 0.3718 0.7286 ( 3226 PWs) bands (ev): -25.3450 -25.3450 -8.2501 -8.2501 -7.1866 -7.1866 -7.0623 -7.0623 -1.0666 -1.0666 0.9466 0.9466 4.7918 4.7918 4.9075 4.9075 6.0924 6.0924 6.9772 6.9772 7.0492 7.0492 7.8061 7.8061 8.0887 8.0887 8.1374 8.1374 8.2744 8.2744 8.4911 8.4911 8.5249 8.5249 8.7913 8.7913 9.1282 9.1282 9.6494 9.6494 9.6923 9.6923 11.0527 11.0527 13.3254 13.3254 13.6805 13.6805 k = 0.1250 0.3599 0.7423 ( 3220 PWs) bands (ev): -25.3449 -25.3449 -8.2505 -8.2505 -7.1868 -7.1868 -7.0631 -7.0631 -1.0662 -1.0662 0.9719 0.9719 4.7877 4.7877 4.9091 4.9091 6.0689 6.0689 6.9622 6.9622 7.0406 7.0406 7.8039 7.8039 8.0865 8.0865 8.1363 8.1363 8.2616 8.2616 8.4955 8.4955 8.5317 8.5317 8.7896 8.7896 9.1007 9.1007 9.5993 9.5993 9.6505 9.6505 11.0534 11.0534 13.3923 13.3923 13.6061 13.6061 k = 0.1319 0.3480 0.7561 ( 3220 PWs) bands (ev): -25.3447 -25.3447 -8.2509 -8.2509 -7.1872 -7.1872 -7.0638 -7.0638 -1.0658 -1.0658 0.9977 0.9977 4.7831 4.7831 4.9083 4.9083 6.0472 6.0472 6.9469 6.9469 7.0334 7.0334 7.8005 7.8005 8.0851 8.0851 8.1355 8.1355 8.2490 8.2490 8.4995 8.4995 8.5382 8.5382 8.7875 8.7875 9.0733 9.0733 9.5547 9.5547 9.6107 9.6107 11.0510 11.0510 13.4569 13.4569 13.5422 13.5422 k = 0.1389 0.3362 0.7698 ( 3220 PWs) bands (ev): -25.3445 -25.3445 -8.2514 -8.2514 -7.1876 -7.1876 -7.0644 -7.0644 -1.0654 -1.0654 1.0239 1.0239 4.7781 4.7781 4.9051 4.9051 6.0273 6.0273 6.9327 6.9327 7.0266 7.0266 7.7962 7.7962 8.0844 8.0844 8.1350 8.1350 8.2366 8.2366 8.5033 8.5033 8.5446 8.5446 8.7848 8.7848 9.0459 9.0459 9.5155 9.5155 9.5733 9.5733 11.0454 11.0454 13.4864 13.4864 13.5217 13.5217 k = 0.1458 0.3243 0.7836 ( 3218 PWs) bands (ev): -25.3444 -25.3444 -8.2518 -8.2518 -7.1880 -7.1880 -7.0649 -7.0649 -1.0650 -1.0650 1.0501 1.0501 4.7727 4.7727 4.8994 4.8994 6.0093 6.0093 6.9205 6.9205 7.0199 7.0199 7.7911 7.7911 8.0843 8.0843 8.1348 8.1348 8.2246 8.2246 8.5070 8.5070 8.5508 8.5508 8.7816 8.7816 9.0186 9.0186 9.4811 9.4811 9.5385 9.5385 11.0363 11.0363 13.4455 13.4455 13.5798 13.5798 k = 0.1528 0.3124 0.7973 ( 3218 PWs) bands (ev): -25.3442 -25.3442 -8.2522 -8.2522 -7.1886 -7.1886 -7.0653 -7.0653 -1.0647 -1.0647 1.0763 1.0763 4.7670 4.7670 4.8913 4.8913 5.9933 5.9933 6.9108 6.9108 7.0130 7.0130 7.7854 7.7854 8.0845 8.0845 8.1347 8.1347 8.2132 8.2132 8.5107 8.5107 8.5569 8.5569 8.7778 8.7778 8.9913 8.9913 9.4513 9.4513 9.5066 9.5066 11.0238 11.0238 13.4151 13.4151 13.6356 13.6356 k = 0.1597 0.3006 0.8111 ( 3220 PWs) bands (ev): -25.3440 -25.3440 -8.2527 -8.2527 -7.1892 -7.1892 -7.0655 -7.0655 -1.0644 -1.0644 1.1022 1.1022 4.7610 4.7610 4.8809 4.8809 5.9792 5.9792 6.9037 6.9037 7.0060 7.0060 7.7791 7.7791 8.0848 8.0848 8.1347 8.1347 8.2024 8.2024 8.5146 8.5146 8.5630 8.5630 8.7733 8.7733 8.9641 8.9641 9.4256 9.4256 9.4777 9.4777 11.0080 11.0080 13.3962 13.3962 13.6880 13.6880 k = 0.1667 0.2887 0.8248 ( 3220 PWs) bands (ev): -25.3439 -25.3439 -8.2531 -8.2531 -7.1898 -7.1898 -7.0657 -7.0657 -1.0641 -1.0641 1.1276 1.1276 4.7549 4.7549 4.8685 4.8685 5.9669 5.9669 6.8993 6.8993 6.9988 6.9988 7.7723 7.7723 8.0851 8.0851 8.1349 8.1349 8.1924 8.1924 8.5190 8.5190 8.5692 8.5692 8.7683 8.7683 8.9371 8.9371 9.4036 9.4036 9.4517 9.4517 10.9892 10.9892 13.3889 13.3889 13.7368 13.7368 k = 0.1736 0.2768 0.8386 ( 3216 PWs) bands (ev): -25.3437 -25.3437 -8.2535 -8.2535 -7.1904 -7.1904 -7.0658 -7.0658 -1.0638 -1.0638 1.1523 1.1523 4.7487 4.7487 4.8545 4.8545 5.9564 5.9564 6.8974 6.8974 6.9915 6.9915 7.7654 7.7654 8.0852 8.0852 8.1351 8.1351 8.1833 8.1833 8.5238 8.5238 8.5754 8.5754 8.7625 8.7625 8.9105 8.9105 9.3849 9.3849 9.4286 9.4286 10.9680 10.9680 13.3929 13.3929 13.7820 13.7820 k = 0.1806 0.2650 0.8523 ( 3224 PWs) bands (ev): -25.3436 -25.3436 -8.2539 -8.2539 -7.1910 -7.1910 -7.0658 -7.0658 -1.0636 -1.0636 1.1759 1.1759 4.7425 4.7425 4.8392 4.8392 5.9475 5.9475 6.8979 6.8979 6.9843 6.9843 7.7583 7.7583 8.0851 8.0851 8.1352 8.1352 8.1750 8.1750 8.5292 8.5292 8.5819 8.5819 8.7560 8.7560 8.8843 8.8843 9.3690 9.3690 9.4083 9.4083 10.9451 10.9451 13.4079 13.4079 13.8235 13.8235 k = 0.1875 0.2531 0.8661 ( 3226 PWs) bands (ev): -25.3435 -25.3435 -8.2543 -8.2543 -7.1917 -7.1917 -7.0658 -7.0658 -1.0634 -1.0634 1.1983 1.1983 4.7364 4.7364 4.8233 4.8233 5.9402 5.9402 6.9004 6.9004 6.9773 6.9773 7.7513 7.7513 8.0846 8.0846 8.1354 8.1354 8.1678 8.1678 8.5353 8.5353 8.5886 8.5886 8.7488 8.7488 8.8589 8.8589 9.3559 9.3559 9.3907 9.3907 10.9211 10.9211 13.4332 13.4332 13.8614 13.8614 k = 0.1944 0.2412 0.8798 ( 3236 PWs) bands (ev): -25.3434 -25.3434 -8.2547 -8.2547 -7.1923 -7.1923 -7.0658 -7.0658 -1.0632 -1.0632 1.2192 1.2192 4.7304 4.7304 4.8073 4.8073 5.9342 5.9342 6.9044 6.9044 6.9705 6.9705 7.7444 7.7444 8.0837 8.0837 8.1354 8.1354 8.1614 8.1614 8.5422 8.5422 8.5957 8.5957 8.7407 8.7407 8.8345 8.8345 9.3449 9.3449 9.3755 9.3755 10.8969 10.8969 13.4683 13.4683 13.8958 13.8958 k = 0.2014 0.2294 0.8936 ( 3234 PWs) bands (ev): -25.3433 -25.3433 -8.2550 -8.2550 -7.1929 -7.1929 -7.0657 -7.0657 -1.0631 -1.0631 1.2383 1.2383 4.7248 4.7248 4.7917 4.7917 5.9294 5.9294 6.9095 6.9095 6.9643 6.9643 7.7380 7.7380 8.0827 8.0827 8.1354 8.1354 8.1561 8.1561 8.5499 8.5499 8.6031 8.6031 8.7319 8.7319 8.8113 8.8113 9.3360 9.3360 9.3626 9.3626 10.8732 10.8732 13.5126 13.5126 13.9265 13.9265 k = 0.2083 0.2175 0.9073 ( 3236 PWs) bands (ev): -25.3432 -25.3432 -8.2553 -8.2553 -7.1934 -7.1934 -7.0655 -7.0655 -1.0629 -1.0629 1.2555 1.2555 4.7195 4.7195 4.7771 4.7771 5.9256 5.9256 6.9152 6.9152 6.9586 6.9586 7.7319 7.7319 8.0814 8.0814 8.1354 8.1354 8.1517 8.1517 8.5584 8.5584 8.6108 8.6108 8.7224 8.7224 8.7896 8.7896 9.3288 9.3288 9.3519 9.3519 10.8510 10.8510 13.5654 13.5654 13.9537 13.9537 k = 0.2153 0.2057 0.9210 ( 3234 PWs) bands (ev): -25.3431 -25.3431 -8.2556 -8.2556 -7.1938 -7.1938 -7.0654 -7.0654 -1.0628 -1.0628 1.2704 1.2704 4.7146 4.7146 4.7640 4.7640 5.9227 5.9227 6.9209 6.9209 6.9537 6.9537 7.7266 7.7266 8.0801 8.0801 8.1352 8.1352 8.1483 8.1483 8.5676 8.5676 8.6187 8.6187 8.7123 8.7123 8.7696 8.7696 9.3231 9.3231 9.3431 9.3431 10.8308 10.8308 13.6260 13.6260 13.9771 13.9771 k = 0.2222 0.1938 0.9348 ( 3240 PWs) bands (ev): -25.3430 -25.3430 -8.2558 -8.2558 -7.1942 -7.1942 -7.0653 -7.0653 -1.0627 -1.0627 1.2829 1.2829 4.7102 4.7102 4.7529 4.7529 5.9205 5.9205 6.9261 6.9261 6.9497 6.9497 7.7219 7.7219 8.0787 8.0787 8.1350 8.1350 8.1456 8.1456 8.5775 8.5775 8.6263 8.6263 8.7019 8.7019 8.7515 8.7515 9.3187 9.3187 9.3360 9.3360 10.8133 10.8133 13.6938 13.6938 13.9966 13.9966 k = 0.2292 0.1819 0.9485 ( 3242 PWs) bands (ev): -25.3430 -25.3430 -8.2560 -8.2560 -7.1946 -7.1946 -7.0652 -7.0652 -1.0627 -1.0627 1.2929 1.2929 4.7064 4.7064 4.7442 4.7442 5.9189 5.9189 6.9303 6.9303 6.9468 6.9468 7.7182 7.7182 8.0775 8.0775 8.1347 8.1347 8.1436 8.1436 8.5878 8.5878 8.6329 8.6329 8.6923 8.6923 8.7356 8.7356 9.3155 9.3155 9.3306 9.3306 10.7991 10.7991 13.7682 13.7682 14.0121 14.0121 k = 0.2361 0.1701 0.9623 ( 3242 PWs) bands (ev): -25.3429 -25.3429 -8.2561 -8.2561 -7.1948 -7.1948 -7.0651 -7.0651 -1.0626 -1.0626 1.3001 1.3001 4.7035 4.7035 4.7379 4.7379 5.9179 5.9179 6.9329 6.9329 6.9454 6.9454 7.7154 7.7154 8.0766 8.0766 8.1345 8.1345 8.1424 8.1424 8.5981 8.5981 8.6368 8.6368 8.6853 8.6853 8.7222 8.7222 9.3133 9.3133 9.3268 9.3268 10.7887 10.7887 13.8486 13.8486 14.0233 14.0233 k = 0.2431 0.1582 0.9760 ( 3240 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1949 -7.1949 -7.0651 -7.0651 -1.0626 -1.0626 1.3045 1.3045 4.7015 4.7015 4.7342 4.7342 5.9173 5.9173 6.9340 6.9340 6.9451 6.9451 7.7137 7.7137 8.0761 8.0761 8.1343 8.1343 8.1416 8.1416 8.6071 8.6071 8.6366 8.6366 8.6828 8.6828 8.7122 8.7122 9.3120 9.3120 9.3246 9.3246 10.7823 10.7823 13.9342 13.9342 14.0301 14.0301 k = 0.2500 0.1463 0.9898 ( 3240 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0626 -1.0626 1.3059 1.3059 4.7009 4.7009 4.7330 4.7330 5.9171 5.9171 6.9343 6.9343 6.9451 6.9451 7.7131 7.7131 8.0759 8.0759 8.1343 8.1343 8.1414 8.1414 8.6113 8.6113 8.6351 8.6351 8.6829 8.6829 8.7081 8.7081 9.3116 9.3116 9.3238 9.3238 10.7801 10.7801 14.0175 14.0175 14.0268 14.0268 k = 0.2500 0.1463 0.9898 ( 3240 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0626 -1.0626 1.3059 1.3059 4.7009 4.7009 4.7330 4.7330 5.9171 5.9171 6.9343 6.9343 6.9451 6.9451 7.7131 7.7131 8.0759 8.0759 8.1343 8.1343 8.1414 8.1414 8.6113 8.6113 8.6351 8.6351 8.6829 8.6829 8.7081 8.7081 9.3116 9.3116 9.3238 9.3238 10.7801 10.7801 14.0175 14.0175 14.0268 14.0268 k = 0.2639 0.1545 0.9804 ( 3240 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0626 -1.0626 1.3057 1.3057 4.6978 4.6978 4.7369 4.7369 5.9164 5.9164 6.8972 6.8972 6.9821 6.9821 7.7143 7.7143 8.0756 8.0756 8.1340 8.1340 8.1416 8.1416 8.6103 8.6103 8.6353 8.6353 8.6826 8.6826 8.7100 8.7100 9.3101 9.3101 9.3254 9.3254 10.7827 10.7827 13.9305 13.9305 13.9989 13.9989 k = 0.2778 0.1626 0.9709 ( 3242 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1949 -7.1949 -7.0651 -7.0651 -1.0626 -1.0626 1.3048 1.3048 4.6901 4.6901 4.7473 4.7473 5.9144 5.9144 6.8564 6.8564 7.0226 7.0226 7.7176 7.7176 8.0744 8.0744 8.1330 8.1330 8.1425 8.1425 8.6074 8.6074 8.6359 8.6359 8.6810 8.6810 8.7163 8.7163 9.3076 9.3076 9.3281 9.3281 10.7904 10.7904 13.8307 13.8307 13.9712 13.9712 k = 0.2917 0.1707 0.9615 ( 3236 PWs) bands (ev): -25.3429 -25.3429 -8.2561 -8.2561 -7.1949 -7.1949 -7.0651 -7.0651 -1.0626 -1.0626 1.3031 1.3031 4.6816 4.6816 4.7608 4.7608 5.9108 5.9108 6.8158 6.8158 7.0627 7.0627 7.7230 7.7230 8.0725 8.0725 8.1317 8.1317 8.1440 8.1440 8.6036 8.6036 8.6366 8.6366 8.6786 8.6786 8.7263 8.7263 9.3045 9.3045 9.3314 9.3314 10.8029 10.8029 13.7343 13.7343 13.9372 13.9372 k = 0.3056 0.1789 0.9521 ( 3238 PWs) bands (ev): -25.3429 -25.3429 -8.2561 -8.2561 -7.1948 -7.1948 -7.0651 -7.0651 -1.0625 -1.0625 1.3004 1.3004 4.6735 4.6735 4.7764 4.7764 5.9058 5.9058 6.7756 6.7756 7.1019 7.1019 7.7302 7.7302 8.0699 8.0699 8.1301 8.1301 8.1455 8.1455 8.5990 8.5990 8.6371 8.6371 8.6759 8.6759 8.7394 8.7394 9.3011 9.3011 9.3351 9.3351 10.8198 10.8198 13.6417 13.6417 13.8975 13.8975 k = 0.3194 0.1870 0.9427 ( 3234 PWs) bands (ev): -25.3429 -25.3429 -8.2560 -8.2560 -7.1947 -7.1947 -7.0652 -7.0652 -1.0622 -1.0622 1.2965 1.2965 4.6662 4.6662 4.7941 4.7941 5.8994 5.8994 6.7361 6.7361 7.1400 7.1400 7.7390 7.7390 8.0667 8.0667 8.1282 8.1282 8.1471 8.1471 8.5940 8.5940 8.6376 8.6376 8.6734 8.6734 8.7549 8.7549 9.2974 9.2974 9.3390 9.3390 10.8408 10.8408 13.5533 13.5533 13.8525 13.8525 k = 0.3333 0.1951 0.9333 ( 3230 PWs) bands (ev): -25.3430 -25.3430 -8.2560 -8.2560 -7.1946 -7.1946 -7.0652 -7.0652 -1.0618 -1.0618 1.2914 1.2914 4.6599 4.6599 4.8138 4.8138 5.8915 5.8915 6.6976 6.6976 7.1766 7.1766 7.7493 7.7493 8.0632 8.0632 8.1260 8.1260 8.1485 8.1485 8.5889 8.5889 8.6380 8.6380 8.6715 8.6715 8.7725 8.7725 9.2936 9.2936 9.3430 9.3430 10.8653 10.8653 13.4696 13.4696 13.8028 13.8028 k = 0.3472 0.2032 0.9238 ( 3230 PWs) bands (ev): -25.3430 -25.3430 -8.2559 -8.2559 -7.1944 -7.1944 -7.0653 -7.0653 -1.0611 -1.0611 1.2849 1.2849 4.6547 4.6547 4.8356 4.8356 5.8825 5.8825 6.6601 6.6601 7.2115 7.2115 7.7606 7.7606 8.0593 8.0593 8.1234 8.1234 8.1497 8.1497 8.5835 8.5835 8.6385 8.6385 8.6702 8.6702 8.7919 8.7919 9.2896 9.2896 9.3471 9.3471 10.8929 10.8929 13.3908 13.3908 13.7494 13.7494 k = 0.3611 0.2114 0.9144 ( 3223 PWs) bands (ev): -25.3430 -25.3430 -8.2558 -8.2558 -7.1942 -7.1942 -7.0654 -7.0654 -1.0602 -1.0602 1.2770 1.2770 4.6507 4.6507 4.8596 4.8596 5.8725 5.8725 6.6241 6.6241 7.2442 7.2442 7.7728 7.7728 8.0553 8.0553 8.1204 8.1204 8.1506 8.1506 8.5779 8.5779 8.6392 8.6392 8.6698 8.6698 8.8130 8.8130 9.2856 9.2856 9.3511 9.3511 10.9229 10.9229 13.3173 13.3173 13.6933 13.6933 k = 0.3750 0.2195 0.9050 ( 3227 PWs) bands (ev): -25.3430 -25.3430 -8.2557 -8.2557 -7.1940 -7.1940 -7.0655 -7.0655 -1.0591 -1.0591 1.2675 1.2675 4.6479 4.6479 4.8856 4.8856 5.8618 5.8618 6.5896 6.5896 7.2746 7.2746 7.7855 7.7855 8.0512 8.0512 8.1171 8.1171 8.1512 8.1512 8.5720 8.5720 8.6399 8.6399 8.6703 8.6703 8.8354 8.8354 9.2815 9.2815 9.3550 9.3550 10.9547 10.9547 13.2495 13.2495 13.6362 13.6362 k = 0.3889 0.2276 0.8956 ( 3226 PWs) bands (ev): -25.3431 -25.3431 -8.2556 -8.2556 -7.1938 -7.1938 -7.0656 -7.0656 -1.0576 -1.0576 1.2566 1.2566 4.6464 4.6464 4.9137 4.9137 5.8504 5.8504 6.5569 6.5569 7.3023 7.3023 7.7986 7.7986 8.0472 8.0472 8.1134 8.1134 8.1513 8.1513 8.5660 8.5660 8.6405 8.6405 8.6722 8.6722 8.8592 8.8592 9.2774 9.2774 9.3589 9.3589 10.9873 10.9873 13.1876 13.1876 13.5796 13.5796 k = 0.4028 0.2358 0.8862 ( 3224 PWs) bands (ev): -25.3431 -25.3431 -8.2555 -8.2555 -7.1936 -7.1936 -7.0657 -7.0657 -1.0560 -1.0560 1.2442 1.2442 4.6462 4.6462 4.9435 4.9435 5.8388 5.8388 6.5263 6.5263 7.3270 7.3270 7.8117 7.8117 8.0433 8.0433 8.1093 8.1093 8.1511 8.1511 8.5599 8.5599 8.6410 8.6410 8.6754 8.6754 8.8840 8.8840 9.2734 9.2734 9.3626 9.3626 11.0199 11.0199 13.1319 13.1319 13.5254 13.5254 k = 0.4167 0.2439 0.8767 ( 3225 PWs) bands (ev): -25.3431 -25.3431 -8.2554 -8.2554 -7.1933 -7.1933 -7.0659 -7.0659 -1.0540 -1.0540 1.2303 1.2303 4.6472 4.6472 4.9749 4.9749 5.8272 5.8272 6.4979 6.4979 7.3484 7.3484 7.8245 7.8245 8.0396 8.0396 8.1051 8.1051 8.1506 8.1506 8.5537 8.5537 8.6414 8.6414 8.6800 8.6800 8.9097 8.9097 9.2695 9.2695 9.3662 9.3662 11.0515 11.0515 13.0828 13.0828 13.4755 13.4755 k = 0.4306 0.2520 0.8673 ( 3221 PWs) bands (ev): -25.3432 -25.3432 -8.2552 -8.2552 -7.1930 -7.1930 -7.0660 -7.0660 -1.0519 -1.0519 1.2150 1.2150 4.6497 4.6497 5.0075 5.0075 5.8157 5.8157 6.4722 6.4722 7.3665 7.3665 7.8369 7.8369 8.0363 8.0363 8.1009 8.1009 8.1497 8.1497 8.5475 8.5475 8.6414 8.6414 8.6861 8.6861 8.9359 8.9359 9.2658 9.2658 9.3698 9.3698 11.0812 11.0812 13.0404 13.0404 13.4314 13.4314 k = 0.4444 0.2602 0.8579 ( 3221 PWs) bands (ev): -25.3432 -25.3432 -8.2551 -8.2551 -7.1927 -7.1927 -7.0662 -7.0662 -1.0495 -1.0495 1.1986 1.1986 4.6534 4.6534 5.0407 5.0407 5.8047 5.8047 6.4493 6.4493 7.3808 7.3808 7.8484 7.8484 8.0335 8.0335 8.0967 8.0967 8.1485 8.1485 8.5414 8.5414 8.6412 8.6412 8.6933 8.6933 8.9623 8.9623 9.2625 9.2625 9.3734 9.3734 11.1078 11.1078 13.0051 13.0051 13.3948 13.3948 k = 0.4583 0.2683 0.8485 ( 3216 PWs) bands (ev): -25.3433 -25.3433 -8.2549 -8.2549 -7.1923 -7.1923 -7.0664 -7.0664 -1.0470 -1.0470 1.1811 1.1811 4.6586 4.6586 5.0741 5.0741 5.7941 5.7941 6.4299 6.4299 7.3914 7.3914 7.8588 7.8588 8.0312 8.0312 8.0930 8.0930 8.1469 8.1469 8.5355 8.5355 8.6408 8.6408 8.7018 8.7018 8.9886 8.9886 9.2596 9.2596 9.3772 9.3772 11.1305 11.1305 12.9771 12.9771 13.3671 13.3671 k = 0.4722 0.2764 0.8391 ( 3214 PWs) bands (ev): -25.3433 -25.3433 -8.2547 -8.2547 -7.1919 -7.1919 -7.0665 -7.0665 -1.0444 -1.0444 1.1626 1.1626 4.6652 4.6652 5.1069 5.1069 5.7842 5.7842 6.4142 6.4142 7.3982 7.3982 7.8677 7.8677 8.0296 8.0296 8.0900 8.0900 8.1451 8.1451 8.5298 8.5298 8.6404 8.6404 8.7109 8.7109 9.0144 9.0144 9.2573 9.2573 9.3812 9.3812 11.1483 11.1483 12.9566 12.9566 13.3494 13.3494 k = 0.4861 0.2845 0.8296 ( 3216 PWs) bands (ev): -25.3434 -25.3434 -8.2545 -8.2545 -7.1915 -7.1915 -7.0667 -7.0667 -1.0417 -1.0417 1.1436 1.1436 4.6732 4.6732 5.1385 5.1385 5.7750 5.7750 6.4029 6.4029 7.4010 7.4010 7.8746 7.8746 8.0287 8.0287 8.0879 8.0879 8.1430 8.1430 8.5243 8.5243 8.6398 8.6398 8.7209 8.7209 9.0392 9.0392 9.2558 9.2558 9.3857 9.3857 11.1608 11.1608 12.9437 12.9437 13.3425 13.3425 k = 0.5000 0.2927 0.8202 ( 3210 PWs) bands (ev): -25.3434 -25.3434 -8.2543 -8.2543 -7.1911 -7.1911 -7.0669 -7.0669 -1.0391 -1.0391 1.1240 1.1240 4.6826 4.6826 5.1681 5.1681 5.7666 5.7666 6.3966 6.3966 7.4000 7.4000 7.8793 7.8793 8.0288 8.0288 8.0869 8.0869 8.1409 8.1409 8.5193 8.5193 8.6393 8.6393 8.7314 8.7314 9.0626 9.0626 9.2554 9.2554 9.3907 9.3907 11.1675 11.1675 12.9387 12.9387 13.3466 13.3466 k = 0.5000 0.2927 0.8202 ( 3210 PWs) bands (ev): -25.3434 -25.3434 -8.2543 -8.2543 -7.1911 -7.1911 -7.0669 -7.0669 -1.0391 -1.0391 1.1240 1.1240 4.6826 4.6826 5.1681 5.1681 5.7666 5.7666 6.3966 6.3966 7.4000 7.4000 7.8793 7.8793 8.0288 8.0288 8.0869 8.0869 8.1409 8.1409 8.5193 8.5193 8.6393 8.6393 8.7314 8.7314 9.0626 9.0626 9.2554 9.2554 9.3907 9.3907 11.1675 11.1675 12.9387 12.9387 13.3466 13.3466 k = 0.5000 0.2927 0.8007 ( 3210 PWs) bands (ev): -25.3436 -25.3436 -8.2539 -8.2539 -7.1901 -7.1901 -7.0673 -7.0673 -1.0337 -1.0337 1.0818 1.0818 4.7049 4.7049 5.2284 5.2284 5.7491 5.7491 6.3897 6.3897 7.3937 7.3937 7.8866 7.8866 8.0295 8.0295 8.0871 8.0871 8.1360 8.1360 8.5098 8.5098 8.6378 8.6378 8.7549 8.7549 9.1101 9.1101 9.2561 9.2561 9.4029 9.4029 11.1760 11.1760 12.9363 12.9363 13.3603 13.3603 k = 0.5000 0.2927 0.7812 ( 3212 PWs) bands (ev): -25.3437 -25.3437 -8.2533 -8.2533 -7.1890 -7.1890 -7.0678 -7.0678 -1.0282 -1.0282 1.0372 1.0372 4.7295 4.7295 5.2913 5.2913 5.7308 5.7308 6.3844 6.3844 7.3867 7.3867 7.8942 7.8942 8.0288 8.0288 8.0888 8.0888 8.1310 8.1310 8.5019 8.5019 8.6361 8.6361 8.7812 8.7812 9.1596 9.1596 9.2572 9.2572 9.4170 9.4170 11.1857 11.1857 12.9341 12.9341 13.3587 13.3587 k = 0.5000 0.2927 0.7616 ( 3210 PWs) bands (ev): -25.3439 -25.3439 -8.2527 -8.2527 -7.1878 -7.1878 -7.0682 -7.0682 -1.0227 -1.0227 0.9905 0.9905 4.7564 4.7564 5.3553 5.3553 5.7131 5.7131 6.3809 6.3809 7.3792 7.3792 7.9019 7.9019 8.0267 8.0267 8.0915 8.0915 8.1267 8.1267 8.4956 8.4956 8.6343 8.6343 8.8100 8.8100 9.2109 9.2109 9.2590 9.2590 9.4334 9.4334 11.1966 11.1966 12.9320 12.9320 13.3397 13.3397 k = 0.5000 0.2927 0.7421 ( 3222 PWs) bands (ev): -25.3440 -25.3440 -8.2521 -8.2521 -7.1864 -7.1864 -7.0687 -7.0687 -1.0174 -1.0174 0.9421 0.9421 4.7856 4.7856 5.4175 5.4175 5.6984 5.6984 6.3793 6.3793 7.3711 7.3711 7.9094 7.9094 8.0238 8.0238 8.0938 8.0938 8.1242 8.1242 8.4908 8.4908 8.6323 8.6323 8.8413 8.8413 9.2543 9.2543 9.2709 9.2709 9.4522 9.4522 11.2088 11.2088 12.9303 12.9303 13.3036 13.3037 k = 0.5000 0.2927 0.7226 ( 3222 PWs) bands (ev): -25.3442 -25.3442 -8.2514 -8.2514 -7.1849 -7.1849 -7.0692 -7.0692 -1.0124 -1.0124 0.8926 0.8926 4.8171 4.8171 5.4723 5.4723 5.6922 5.6922 6.3796 6.3796 7.3625 7.3625 7.9163 7.9163 8.0209 8.0209 8.0934 8.0934 8.1255 8.1255 8.4876 8.4876 8.6303 8.6303 8.8750 8.8750 9.2603 9.2603 9.3229 9.3229 9.4737 9.4737 11.2225 11.2225 12.9288 12.9288 13.2530 13.2530 k = 0.5000 0.2927 0.7030 ( 3234 PWs) bands (ev): -25.3444 -25.3444 -8.2506 -8.2506 -7.1833 -7.1833 -7.0697 -7.0697 -1.0079 -1.0079 0.8421 0.8421 4.8507 4.8507 5.5098 5.5098 5.7043 5.7043 6.3818 6.3818 7.3535 7.3535 7.9219 7.9219 8.0189 8.0189 8.0897 8.0897 8.1312 8.1312 8.4857 8.4857 8.6280 8.6280 8.9109 8.9109 9.2628 9.2628 9.3804 9.3804 9.4981 9.4981 11.2378 11.2378 12.9276 12.9276 13.1911 13.1911 k = 0.5000 0.2927 0.6835 ( 3230 PWs) bands (ev): -25.3446 -25.3446 -8.2498 -8.2498 -7.1815 -7.1815 -7.0703 -7.0703 -1.0039 -1.0039 0.7910 0.7910 4.8866 4.8866 5.5226 5.5226 5.7419 5.7419 6.3859 6.3859 7.3441 7.3441 7.9257 7.9257 8.0188 8.0188 8.0838 8.0838 8.1398 8.1398 8.4854 8.4854 8.6260 8.6260 8.9488 8.9488 9.2656 9.2656 9.4402 9.4402 9.5257 9.5257 11.2548 11.2548 12.9268 12.9268 13.1211 13.1211 k = 0.5000 0.2927 0.6640 ( 3234 PWs) bands (ev): -25.3448 -25.3448 -8.2489 -8.2489 -7.1796 -7.1796 -7.0708 -7.0708 -1.0007 -1.0007 0.7397 0.7397 4.9245 4.9245 5.5176 5.5176 5.7982 5.7982 6.3917 6.3917 7.3343 7.3343 7.9266 7.9266 8.0211 8.0211 8.0771 8.0771 8.1502 8.1502 8.4864 8.4864 8.6239 8.6239 8.9886 8.9886 9.2687 9.2687 9.5021 9.5021 9.5565 9.5565 11.2737 11.2737 12.9261 12.9261 13.0457 13.0457 k = 0.5000 0.2927 0.6445 ( 3230 PWs) bands (ev): -25.3450 -25.3450 -8.2479 -8.2479 -7.1775 -7.1775 -7.0713 -7.0713 -0.9983 -0.9983 0.6883 0.6883 4.9644 4.9644 5.5046 5.5046 5.8632 5.8632 6.3992 6.3992 7.3243 7.3243 7.9248 7.9248 8.0257 8.0257 8.0706 8.0706 8.1618 8.1618 8.4886 8.4886 8.6220 8.6220 9.0301 9.0301 9.2725 9.2725 9.5657 9.5657 9.5911 9.5911 11.2947 11.2947 12.9254 12.9254 12.9673 12.9673 k = 0.5000 0.2927 0.6249 ( 3238 PWs) bands (ev): -25.3452 -25.3452 -8.2469 -8.2469 -7.1753 -7.1753 -7.0718 -7.0718 -0.9969 -0.9969 0.6372 0.6372 5.0062 5.0062 5.4892 5.4892 5.9313 5.9313 6.4083 6.4083 7.3140 7.3140 7.9204 7.9204 8.0303 8.0303 8.0664 8.0664 8.1742 8.1742 8.4919 8.4919 8.6201 8.6201 9.0727 9.0727 9.2771 9.2771 9.6255 9.6255 9.6349 9.6349 11.3180 11.3180 12.8869 12.8869 12.9247 12.9247 k = 0.5000 0.2927 0.6054 ( 3234 PWs) bands (ev): -25.3455 -25.3455 -8.2458 -8.2458 -7.1729 -7.1729 -7.0723 -7.0723 -0.9965 -0.9965 0.5864 0.5864 5.0497 5.0497 5.4740 5.4740 5.9999 5.9999 6.4190 6.4190 7.3035 7.3035 7.9143 7.9143 8.0310 8.0310 8.0685 8.0685 8.1872 8.1872 8.4963 8.4963 8.6186 8.6186 9.1156 9.1156 9.2833 9.2833 9.6688 9.6688 9.7009 9.7009 11.3438 11.3438 12.8067 12.8067 12.9226 12.9226 k = 0.5000 0.2927 0.5859 ( 3234 PWs) bands (ev): -25.3457 -25.3457 -8.2447 -8.2447 -7.1704 -7.1704 -7.0728 -7.0728 -0.9973 -0.9973 0.5363 0.5363 5.0946 5.0946 5.4605 5.4605 6.0672 6.0672 6.4312 6.4312 7.2928 7.2928 7.9069 7.9069 8.0259 8.0259 8.0781 8.0781 8.2006 8.2006 8.5015 8.5015 8.6175 8.6175 9.1571 9.1571 9.2925 9.2925 9.7138 9.7138 9.7705 9.7705 11.3724 11.3724 12.7274 12.7274 12.9184 12.9184 k = 0.5000 0.2927 0.5663 ( 3242 PWs) bands (ev): -25.3459 -25.3459 -8.2435 -8.2435 -7.1677 -7.1677 -7.0733 -7.0733 -0.9994 -0.9994 0.4869 0.4869 5.1407 5.1407 5.4499 5.4499 6.1324 6.1324 6.4451 6.4451 7.2821 7.2821 7.8986 7.8986 8.0174 8.0174 8.0924 8.0924 8.2141 8.2141 8.5073 8.5073 8.6169 8.6169 9.1941 9.1941 9.3076 9.3076 9.7621 9.7621 9.8421 9.8421 11.4040 11.4040 12.6498 12.6498 12.9099 12.9099 k = 0.5000 0.2927 0.5468 ( 3246 PWs) bands (ev): -25.3462 -25.3462 -8.2422 -8.2422 -7.1649 -7.1649 -7.0738 -7.0738 -1.0027 -1.0027 0.4385 0.4385 5.1872 5.1872 5.4431 5.4431 6.1945 6.1945 6.4609 6.4609 7.2713 7.2713 7.8898 7.8898 8.0074 8.0074 8.1094 8.1094 8.2277 8.2277 8.5137 8.5137 8.6169 8.6169 9.2222 9.2222 9.3327 9.3327 9.8136 9.8136 9.9157 9.9157 11.4389 11.4389 12.5747 12.5747 12.8937 12.8937 k = 0.5000 0.2927 0.5273 ( 3254 PWs) bands (ev): -25.3464 -25.3464 -8.2409 -8.2409 -7.1620 -7.1620 -7.0742 -7.0742 -1.0074 -1.0074 0.3911 0.3911 5.2330 5.2330 5.4417 5.4417 6.2528 6.2528 6.4788 6.4788 7.2605 7.2605 7.8809 7.8809 7.9965 7.9965 8.1284 8.1284 8.2411 8.2411 8.5204 8.5204 8.6178 8.6178 9.2399 9.2399 9.3691 9.3691 9.8681 9.8681 9.9912 9.9912 11.4775 11.4775 12.5028 12.5028 12.8638 12.8638 k = 0.5000 0.2927 0.5078 ( 3256 PWs) bands (ev): -25.3467 -25.3467 -8.2396 -8.2396 -7.1590 -7.1590 -7.0747 -7.0747 -1.0134 -1.0134 0.3448 0.3448 5.2760 5.2760 5.4478 5.4478 6.3063 6.3063 6.4994 6.4994 7.2498 7.2498 7.8719 7.8719 7.9851 7.9851 8.1491 8.1491 8.2542 8.2542 8.5273 8.5273 8.6200 8.6200 9.2504 9.2504 9.4132 9.4132 9.9252 9.9252 10.0684 10.0684 11.5199 11.5199 12.4348 12.4348 12.8126 12.8126 k = 0.5000 0.2927 0.4882 ( 3252 PWs) bands (ev): -25.3469 -25.3469 -8.2382 -8.2382 -7.1558 -7.1558 -7.0751 -7.0751 -1.0207 -1.0207 0.2998 0.2998 5.3131 5.3131 5.4647 5.4647 6.3544 6.3544 6.5232 6.5232 7.2392 7.2392 7.8629 7.8629 7.9732 7.9732 8.1711 8.1711 8.2666 8.2666 8.5343 8.5343 8.6234 8.6234 9.2569 9.2569 9.4613 9.4613 9.9845 9.9845 10.1473 10.1473 11.5665 11.5665 12.3714 12.3714 12.7347 12.7347 k = 0.5000 0.2927 0.4687 ( 3254 PWs) bands (ev): -25.3472 -25.3472 -8.2367 -8.2367 -7.1525 -7.1525 -7.0755 -7.0755 -1.0294 -1.0294 0.2562 0.2562 5.3415 5.3415 5.4948 5.4948 6.3964 6.3964 6.5506 6.5506 7.2286 7.2286 7.8540 7.8540 7.9610 7.9610 8.1946 8.1946 8.2780 8.2780 8.5414 8.5414 8.6284 8.6284 9.2612 9.2612 9.5110 9.5110 10.0454 10.0454 10.2278 10.2278 11.6172 11.6172 12.3130 12.3130 12.6320 12.6320 k = 0.5000 0.2927 0.4492 ( 3242 PWs) bands (ev): -25.3474 -25.3474 -8.2353 -8.2353 -7.1492 -7.1492 -7.0758 -7.0758 -1.0392 -1.0392 0.2140 0.2140 5.3623 5.3623 5.5372 5.5372 6.4325 6.4325 6.5816 6.5816 7.2184 7.2184 7.8451 7.8451 7.9485 7.9485 8.2193 8.2193 8.2883 8.2883 8.5485 8.5485 8.6349 8.6349 9.2643 9.2643 9.5611 9.5611 10.1075 10.1075 10.3100 10.3100 11.6722 11.6722 12.2605 12.2605 12.5120 12.5120 k = 0.5000 0.2927 0.4296 ( 3248 PWs) bands (ev): -25.3477 -25.3477 -8.2338 -8.2338 -7.1457 -7.1457 -7.0762 -7.0762 -1.0503 -1.0503 0.1733 0.1733 5.3790 5.3790 5.5880 5.5880 6.4634 6.4634 6.6151 6.6151 7.2082 7.2082 7.8364 7.8364 7.9357 7.9357 8.2449 8.2449 8.2968 8.2968 8.5559 8.5559 8.6430 8.6430 9.2665 9.2665 9.6104 9.6104 10.1700 10.1700 10.3935 10.3935 11.7311 11.7311 12.2144 12.2144 12.3825 12.3825 k = 0.5000 0.2927 0.4101 ( 3260 PWs) bands (ev): -25.3479 -25.3479 -8.2323 -8.2323 -7.1422 -7.1422 -7.0765 -7.0765 -1.0624 -1.0624 0.1341 0.1341 5.3944 5.3944 5.6441 5.6441 6.4905 6.4905 6.6500 6.6500 7.1984 7.1984 7.8279 7.8279 7.9227 7.9227 8.2714 8.2714 8.3037 8.3037 8.5638 8.5638 8.6523 8.6523 9.2680 9.2680 9.6579 9.6579 10.2325 10.2325 10.4784 10.4784 11.7929 11.7929 12.1748 12.1748 12.2496 12.2496 k = 0.5000 0.2927 0.3906 ( 3260 PWs) bands (ev): -25.3481 -25.3481 -8.2308 -8.2308 -7.1387 -7.1387 -7.0768 -7.0768 -1.0754 -1.0754 0.0966 0.0966 5.4101 5.4101 5.7036 5.7036 6.5152 6.5152 6.6850 6.6850 7.1889 7.1889 7.8195 7.8195 7.9096 7.9096 8.2969 8.2969 8.3105 8.3105 8.5727 8.5727 8.6629 8.6629 9.2690 9.2690 9.7032 9.7032 10.2943 10.2943 10.5645 10.5645 11.8549 11.8549 12.1112 12.1112 12.1500 12.1500 k = 0.5000 0.2927 0.3711 ( 3256 PWs) bands (ev): -25.3484 -25.3484 -8.2292 -8.2292 -7.1351 -7.1351 -7.0771 -7.0771 -1.0893 -1.0893 0.0607 0.0607 5.4267 5.4267 5.7654 5.7654 6.5386 6.5386 6.7194 6.7194 7.1798 7.1798 7.8114 7.8114 7.8964 7.8964 8.3064 8.3064 8.3318 8.3318 8.5825 8.5825 8.6744 8.6744 9.2694 9.2694 9.7452 9.7452 10.3551 10.3551 10.6517 10.6517 11.8954 11.8954 12.0044 12.0044 12.1259 12.1259 k = 0.5000 0.2927 0.3515 ( 3248 PWs) bands (ev): -25.3486 -25.3486 -8.2277 -8.2277 -7.1315 -7.1315 -7.0773 -7.0773 -1.1038 -1.1038 0.0265 0.0265 5.4446 5.4446 5.8288 5.8288 6.5613 6.5613 6.7524 6.7524 7.1711 7.1711 7.8033 7.8033 7.8832 7.8832 8.3062 8.3062 8.3613 8.3613 8.5936 8.5936 8.6869 8.6869 9.2693 9.2693 9.7832 9.7832 10.4144 10.4144 10.7399 10.7399 11.8159 11.8159 12.0149 12.0149 12.1157 12.1157 k = 0.5000 0.2927 0.3320 ( 3242 PWs) bands (ev): -25.3488 -25.3488 -8.2262 -8.2262 -7.1279 -7.1279 -7.0775 -7.0775 -1.1189 -1.1189 -0.0060 -0.0060 5.4636 5.4636 5.8932 5.8932 6.5837 6.5837 6.7839 6.7839 7.1628 7.1628 7.7955 7.7955 7.8700 7.8700 8.3027 8.3027 8.3923 8.3923 8.6058 8.6058 8.7000 8.7000 9.2686 9.2686 9.8166 9.8166 10.4720 10.4720 10.8287 10.8287 11.6905 11.6905 12.0611 12.0611 12.1255 12.1255 k = 0.5000 0.2927 0.3125 ( 3250 PWs) bands (ev): -25.3490 -25.3490 -8.2248 -8.2248 -7.1243 -7.1243 -7.0778 -7.0778 -1.1343 -1.1343 -0.0367 -0.0367 5.4836 5.4836 5.9582 5.9582 6.6063 6.6063 6.8137 6.8137 7.1548 7.1548 7.7876 7.7876 7.8569 7.8569 8.2962 8.2962 8.4244 8.4244 8.6190 8.6190 8.7136 8.7136 9.2674 9.2674 9.8447 9.8447 10.5275 10.5275 10.9179 10.9179 11.5636 11.5636 12.0858 12.0858 12.1656 12.1656 k = 0.5000 0.2927 0.2929 ( 3250 PWs) bands (ev): -25.3492 -25.3492 -8.2234 -8.2234 -7.1208 -7.1208 -7.0779 -7.0779 -1.1499 -1.1499 -0.0656 -0.0656 5.5044 5.5044 6.0234 6.0234 6.6292 6.6292 6.8417 6.8417 7.1474 7.1474 7.7798 7.7798 7.8440 7.8440 8.2872 8.2872 8.4573 8.4573 8.6329 8.6329 8.7277 8.7277 9.2656 9.2656 9.8674 9.8674 10.5809 10.5809 11.0074 11.0074 11.4397 11.4397 12.1019 12.1019 12.2147 12.2147 k = 0.5000 0.2927 0.2734 ( 3250 PWs) bands (ev): -25.3494 -25.3494 -8.2220 -8.2220 -7.1174 -7.1174 -7.0781 -7.0781 -1.1656 -1.1656 -0.0928 -0.0928 5.5255 5.5255 6.0884 6.0884 6.6527 6.6527 6.8679 6.8679 7.1405 7.1405 7.7719 7.7719 7.8316 7.8316 8.2758 8.2758 8.4909 8.4909 8.6475 8.6475 8.7422 8.7422 9.2630 9.2630 9.8844 9.8844 10.6322 10.6322 11.0963 11.0963 11.3204 11.3204 12.1196 12.1196 12.2560 12.2560 k = 0.5000 0.2927 0.2539 ( 3254 PWs) bands (ev): -25.3496 -25.3496 -8.2206 -8.2206 -7.1140 -7.1140 -7.0782 -7.0782 -1.1810 -1.1810 -0.1181 -0.1181 5.5468 5.5468 6.1525 6.1525 6.6769 6.6769 6.8923 6.8923 7.1342 7.1342 7.7638 7.7638 7.8197 7.8197 8.2620 8.2620 8.5249 8.5249 8.6623 8.6623 8.7572 8.7572 9.2598 9.2598 9.8956 9.8956 10.6815 10.6815 11.1771 11.1771 11.2139 11.2139 12.1382 12.1382 12.2834 12.2834 k = 0.5000 0.2927 0.2343 ( 3252 PWs) bands (ev): -25.3498 -25.3498 -8.2193 -8.2193 -7.1108 -7.1108 -7.0784 -7.0784 -1.1962 -1.1962 -0.1416 -0.1416 5.5679 5.5679 6.2153 6.2153 6.7018 6.7018 6.9150 6.9150 7.1287 7.1287 7.7555 7.7555 7.8086 7.8086 8.2461 8.2461 8.5592 8.5592 8.6772 8.6772 8.7728 8.7728 9.2557 9.2557 9.9014 9.9014 10.7287 10.7287 11.0943 11.0943 11.2758 11.2758 12.1529 12.1529 12.2949 12.2949 k = 0.5000 0.2927 0.2148 ( 3256 PWs) bands (ev): -25.3500 -25.3500 -8.2181 -8.2181 -7.1078 -7.1078 -7.0785 -7.0785 -1.2108 -1.2108 -0.1632 -0.1632 5.5885 5.5885 6.2760 6.2760 6.7277 6.7277 6.9358 6.9358 7.1238 7.1238 7.7469 7.7469 7.7985 7.7985 8.2281 8.2281 8.5933 8.5933 8.6918 8.6918 8.7889 8.7889 9.2510 9.2510 9.9021 9.9021 10.7740 10.7740 10.9925 10.9925 11.3613 11.3613 12.1576 12.1576 12.2911 12.2911 k = 0.5000 0.2927 0.1953 ( 3264 PWs) bands (ev): -25.3501 -25.3501 -8.2170 -8.2170 -7.1049 -7.1049 -7.0786 -7.0786 -1.2248 -1.2248 -0.1830 -0.1830 5.6082 5.6082 6.3341 6.3341 6.7545 6.7545 6.9547 6.9547 7.1197 7.1197 7.7379 7.7379 7.7894 7.7894 8.2085 8.2085 8.6267 8.6267 8.7059 8.7059 8.8056 8.8056 9.2453 9.2453 9.8983 9.8983 10.8171 10.8171 10.8974 10.8974 11.4449 11.4449 12.1465 12.1465 12.2745 12.2745 k = 0.5000 0.2927 0.1758 ( 3268 PWs) bands (ev): -25.3503 -25.3503 -8.2160 -8.2160 -7.1022 -7.1022 -7.0786 -7.0786 -1.2379 -1.2379 -0.2009 -0.2009 5.6269 5.6269 6.3886 6.3886 6.7823 6.7823 6.9716 6.9716 7.1165 7.1165 7.7287 7.7287 7.7814 7.7814 8.1876 8.1876 8.6589 8.6589 8.7194 8.7194 8.8230 8.8230 9.2390 9.2390 9.8908 9.8908 10.8085 10.8085 10.8593 10.8593 11.5251 11.5251 12.1187 12.1187 12.2490 12.2490 k = 0.5000 0.2927 0.1562 ( 3264 PWs) bands (ev): -25.3504 -25.3504 -8.2150 -8.2150 -7.0997 -7.0997 -7.0787 -7.0787 -1.2501 -1.2501 -0.2170 -0.2170 5.6442 5.6442 6.4389 6.4389 6.8109 6.8109 6.9863 6.9863 7.1144 7.1144 7.7194 7.7194 7.7747 7.7747 8.1656 8.1656 8.6891 8.6891 8.7327 8.7327 8.8412 8.8412 9.2319 9.2319 9.8803 9.8803 10.7288 10.7288 10.8982 10.8982 11.6006 11.6006 12.0778 12.0778 12.2186 12.2186 k = 0.5000 0.2927 0.1367 ( 3264 PWs) bands (ev): -25.3505 -25.3505 -8.2141 -8.2141 -7.0975 -7.0975 -7.0788 -7.0788 -1.2612 -1.2612 -0.2312 -0.2312 5.6600 5.6600 6.4840 6.4840 6.8402 6.8402 6.9989 6.9989 7.1134 7.1134 7.7103 7.7103 7.7689 7.7689 8.1431 8.1431 8.7154 8.7154 8.7464 8.7464 8.8600 8.8600 9.2243 9.2243 9.8675 9.8675 10.6571 10.6571 10.9351 10.9351 11.6697 11.6697 12.0301 12.0301 12.1870 12.1870 k = 0.5000 0.2927 0.1172 ( 3264 PWs) bands (ev): -25.3506 -25.3506 -8.2134 -8.2134 -7.0955 -7.0955 -7.0788 -7.0788 -1.2710 -1.2710 -0.2435 -0.2435 5.6739 5.6739 6.5235 6.5235 6.8694 6.8694 7.0091 7.0091 7.1134 7.1134 7.7017 7.7017 7.7641 7.7641 8.1207 8.1207 8.7354 8.7354 8.7626 8.7626 8.8791 8.8791 9.2161 9.2161 9.8536 9.8536 10.5942 10.5942 10.9694 10.9694 11.7302 11.7302 11.9810 11.9810 12.1578 12.1578 k = 0.5000 0.2927 0.0976 ( 3266 PWs) bands (ev): -25.3507 -25.3507 -8.2127 -8.2127 -7.0938 -7.0938 -7.0788 -7.0788 -1.2795 -1.2795 -0.2539 -0.2539 5.6859 5.6859 6.5570 6.5570 6.8978 6.8978 7.0170 7.0170 7.1143 7.1143 7.6940 7.6940 7.7603 7.7603 8.0992 8.0992 8.7484 8.7484 8.7812 8.7812 8.8980 8.8980 9.2078 9.2078 9.8393 9.8393 10.5403 10.5403 11.0004 11.0004 11.7797 11.7797 11.9346 11.9346 12.1342 12.1342 k = 0.5000 0.2927 0.0781 ( 3266 PWs) bands (ev): -25.3507 -25.3507 -8.2122 -8.2122 -7.0924 -7.0924 -7.0788 -7.0788 -1.2866 -1.2866 -0.2624 -0.2624 5.6959 5.6959 6.5842 6.5842 6.9241 6.9241 7.0229 7.0229 7.1158 7.1158 7.6871 7.6871 7.7573 7.7573 8.0795 8.0795 8.7570 8.7570 8.7990 8.7990 8.9158 8.9158 9.1998 9.1998 9.8258 9.8258 10.4960 10.4960 11.0276 11.0276 11.8156 11.8156 11.8940 11.8940 12.1191 12.1191 k = 0.5000 0.2927 0.0586 ( 3270 PWs) bands (ev): -25.3508 -25.3508 -8.2118 -8.2118 -7.0913 -7.0913 -7.0788 -7.0788 -1.2923 -1.2923 -0.2690 -0.2690 5.7037 5.7037 6.6052 6.6052 6.9468 6.9468 7.0269 7.0269 7.1175 7.1175 7.6816 7.6816 7.7549 7.7549 8.0626 8.0626 8.7631 8.7631 8.8140 8.8140 8.9316 8.9316 9.1926 9.1926 9.8139 9.8139 10.4613 10.4613 11.0500 11.0500 11.8360 11.8360 11.8623 11.8623 12.1132 12.1132 k = 0.5000 0.2927 0.0391 ( 3268 PWs) bands (ev): -25.3508 -25.3508 -8.2115 -8.2115 -7.0905 -7.0905 -7.0789 -7.0789 -1.2963 -1.2963 -0.2737 -0.2737 5.7094 5.7094 6.6200 6.6200 6.9644 6.9644 7.0295 7.0295 7.1192 7.1192 7.6774 7.6774 7.7532 7.7532 8.0496 8.0496 8.7672 8.7672 8.8252 8.8252 8.9441 8.9441 9.1868 9.1868 9.8046 9.8046 10.4364 10.4364 11.0669 11.0669 11.8312 11.8312 11.8531 11.8531 12.1142 12.1142 k = 0.5000 0.2927 0.0195 ( 3272 PWs) bands (ev): -25.3509 -25.3509 -8.2113 -8.2113 -7.0900 -7.0900 -7.0789 -7.0789 -1.2988 -1.2988 -0.2766 -0.2766 5.7128 5.7128 6.6288 6.6288 6.9756 6.9756 7.0309 7.0309 7.1203 7.1203 7.6749 7.6749 7.7521 7.7521 8.0413 8.0413 8.7696 8.7696 8.8320 8.8320 8.9521 8.9521 9.1829 9.1829 9.7987 9.7987 10.4214 10.4214 11.0774 11.0774 11.8177 11.8177 11.8552 11.8552 12.1175 12.1175 k = 0.5000 0.2927 0.0000 ( 3276 PWs) bands (ev): -25.3509 -25.3509 -8.2112 -8.2112 -7.0899 -7.0899 -7.0789 -7.0789 -1.2996 -1.2996 -0.2775 -0.2775 5.7139 5.7139 6.6318 6.6318 6.9795 6.9795 7.0313 7.0313 7.1207 7.1207 7.6740 7.6740 7.7516 7.7516 8.0385 8.0385 8.7704 8.7704 8.8343 8.8343 8.9549 8.9549 9.1816 9.1816 9.7967 9.7967 10.4164 10.4164 11.0810 11.0810 11.8128 11.8128 11.8557 11.8557 12.1190 12.1190 k = 0.0000 0.0000 0.9898 ( 3216 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0656 -1.0656 1.3200 1.3200 4.5882 4.5882 4.8883 4.8883 5.8395 5.8395 6.4571 6.4571 7.4247 7.4247 7.8421 7.8421 8.0093 8.0093 8.1023 8.1023 8.1664 8.1664 8.5992 8.5992 8.6414 8.6414 8.6767 8.6767 8.7849 8.7849 9.2592 9.2592 9.3430 9.3430 11.1356 11.1356 12.9499 12.9499 13.1418 13.1418 k = 0.0167 0.0098 0.9898 ( 3224 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0656 -1.0656 1.3198 1.3198 4.5888 4.5888 4.8872 4.8872 5.8402 5.8402 6.4599 6.4599 7.4219 7.4219 7.8404 7.8404 8.0102 8.0102 8.1027 8.1027 8.1661 8.1661 8.5993 8.5993 8.6413 8.6413 8.6767 8.6767 8.7840 8.7840 9.2597 9.2597 9.3429 9.3429 11.1305 11.1305 12.9555 12.9555 13.1518 13.1518 k = 0.0333 0.0195 0.9898 ( 3220 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0655 -1.0655 1.3194 1.3194 4.5906 4.5906 4.8839 4.8839 5.8425 5.8425 6.4684 6.4684 7.4132 7.4132 7.8359 7.8359 8.0128 8.0128 8.1039 8.1039 8.1656 8.1656 8.5996 8.5996 8.6412 8.6412 8.6768 8.6768 8.7814 8.7814 9.2614 9.2614 9.3425 9.3425 11.1158 11.1158 12.9721 12.9721 13.1811 13.1811 k = 0.0500 0.0293 0.9898 ( 3220 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0653 -1.0653 1.3186 1.3186 4.5936 4.5936 4.8786 4.8786 5.8461 5.8461 6.4823 6.4823 7.3991 7.3991 7.8286 7.8286 8.0167 8.0167 8.1059 8.1059 8.1648 8.1648 8.5999 8.5999 8.6411 8.6411 8.6769 8.6769 8.7772 8.7772 9.2640 9.2640 9.3420 9.3420 11.0927 11.0927 12.9996 12.9996 13.2282 13.2282 k = 0.0667 0.0390 0.9898 ( 3224 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0651 -1.0651 1.3176 1.3176 4.5979 4.5979 4.8712 4.8712 5.8511 5.8511 6.5015 6.5015 7.3797 7.3797 7.8190 7.8190 8.0217 8.0217 8.1083 8.1083 8.1637 8.1637 8.6005 8.6005 8.6410 8.6410 8.6770 8.6770 8.7716 8.7716 9.2674 9.2674 9.3413 9.3413 11.0629 11.0629 13.0377 13.0377 13.2908 13.2908 k = 0.0833 0.0488 0.9898 ( 3228 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0648 -1.0648 1.3164 1.3164 4.6033 4.6033 4.8621 4.8621 5.8572 5.8572 6.5256 6.5256 7.3553 7.3553 7.8077 7.8077 8.0276 8.0276 8.1112 8.1112 8.1623 8.1623 8.6012 8.6012 8.6407 8.6407 8.6771 8.6771 8.7650 8.7650 9.2716 9.2716 9.3403 9.3403 11.0287 11.0287 13.0862 13.0862 13.3658 13.3658 k = 0.1000 0.0585 0.9898 ( 3210 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0645 -1.0645 1.3151 1.3151 4.6099 4.6099 4.8514 4.8514 5.8643 5.8643 6.5541 6.5541 7.3266 7.3266 7.7953 7.7953 8.0340 8.0340 8.1144 8.1144 8.1608 8.1608 8.6021 8.6021 8.6405 8.6405 8.6774 8.6774 8.7578 8.7578 9.2762 9.2762 9.3392 9.3392 10.9919 10.9919 13.1447 13.1447 13.4501 13.4501 k = 0.1167 0.0683 0.9898 ( 3218 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0642 -1.0642 1.3137 1.3137 4.6175 4.6175 4.8393 4.8393 5.8721 5.8721 6.5868 6.5868 7.2937 7.2937 7.7821 7.7821 8.0406 8.0406 8.1175 8.1175 8.1589 8.1589 8.6031 8.6031 8.6402 8.6402 8.6776 8.6776 8.7501 8.7501 9.2809 9.2809 9.3378 9.3378 10.9546 10.9546 13.2127 13.2127 13.5401 13.5401 k = 0.1333 0.0780 0.9898 ( 3216 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0639 -1.0639 1.3122 1.3122 4.6263 4.6263 4.8261 4.8261 5.8802 5.8802 6.6231 6.6231 7.2571 7.2571 7.7689 7.7689 8.0471 8.0471 8.1207 8.1207 8.1566 8.1566 8.6042 8.6042 8.6397 8.6397 8.6780 8.6780 8.7423 8.7423 9.2860 9.2860 9.3362 9.3362 10.9184 10.9184 13.2897 13.2897 13.6321 13.6321 k = 0.1500 0.0878 0.9898 ( 3216 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0650 -7.0650 -1.0636 -1.0636 1.3108 1.3108 4.6360 4.6360 4.8120 4.8120 5.8884 5.8884 6.6626 6.6626 7.2175 7.2175 7.7560 7.7560 8.0535 8.0535 8.1236 8.1236 8.1543 8.1543 8.6055 8.6055 8.6391 8.6391 8.6786 8.6786 8.7347 8.7347 9.2911 9.2911 9.3344 9.3344 10.8846 10.8846 13.3752 13.3752 13.7221 13.7221 k = 0.1667 0.0976 0.9898 ( 3224 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0633 -1.0633 1.3094 1.3094 4.6467 4.6467 4.7974 4.7974 5.8961 5.8961 6.7048 6.7048 7.1751 7.1751 7.7440 7.7440 8.0594 8.0594 8.1262 8.1262 8.1517 8.1517 8.6068 8.6068 8.6384 8.6384 8.6792 8.6792 8.7277 8.7277 9.2961 9.2961 9.3323 9.3323 10.8543 10.8543 13.4685 13.4685 13.8058 13.8058 k = 0.1833 0.1073 0.9898 ( 3224 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0631 -1.0631 1.3082 1.3082 4.6582 4.6582 4.7824 4.7824 5.9031 5.9031 6.7493 6.7493 7.1305 7.1305 7.7335 7.7335 8.0647 8.0647 8.1285 8.1285 8.1492 8.1492 8.6081 8.6081 8.6377 8.6377 8.6800 8.6800 8.7213 8.7213 9.3008 9.3008 9.3301 9.3301 10.8284 10.8284 13.5691 13.5691 13.8793 13.8793 k = 0.2000 0.1171 0.9898 ( 3236 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0629 -1.0629 1.3072 1.3072 4.6704 4.6704 4.7674 4.7674 5.9090 5.9090 6.7955 6.7955 7.0841 7.0841 7.7248 7.7248 8.0691 8.0691 8.1305 8.1305 8.1467 8.1467 8.6092 8.6092 8.6370 8.6370 8.6807 8.6807 8.7159 8.7159 9.3050 9.3050 9.3278 9.3278 10.8077 10.8077 13.6764 13.6764 13.9391 13.9391 k = 0.2167 0.1268 0.9898 ( 3244 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0627 -1.0627 1.3065 1.3065 4.6827 4.6827 4.7528 4.7528 5.9134 5.9134 6.8431 6.8431 7.0363 7.0363 7.7183 7.7183 8.0725 8.0725 8.1322 8.1322 8.1444 8.1444 8.6102 8.6102 8.6363 8.6363 8.6816 8.6816 8.7118 8.7118 9.3087 9.3087 9.3255 9.3255 10.7925 10.7925 13.7896 13.7896 13.9828 13.9828 k = 0.2333 0.1366 0.9898 ( 3240 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0626 -1.0626 1.3061 1.3061 4.6943 4.6943 4.7400 4.7400 5.9162 5.9162 6.8916 6.8916 6.9879 6.9879 7.7144 7.7144 8.0749 8.0749 8.1336 8.1336 8.1425 8.1425 8.6109 8.6109 8.6356 8.6356 8.6824 8.6824 8.7090 8.7090 9.3113 9.3113 9.3239 9.3239 10.7833 10.7833 13.9080 13.9080 14.0093 14.0093 k = 0.2500 0.1463 0.9898 ( 3240 PWs) bands (ev): -25.3429 -25.3429 -8.2562 -8.2562 -7.1950 -7.1950 -7.0651 -7.0651 -1.0626 -1.0626 1.3059 1.3059 4.7009 4.7009 4.7330 4.7330 5.9171 5.9171 6.9343 6.9343 6.9451 6.9451 7.7131 7.7131 8.0759 8.0759 8.1343 8.1343 8.1414 8.1414 8.6113 8.6113 8.6351 8.6351 8.6829 8.6829 8.7081 8.7081 9.3116 9.3116 9.3238 9.3238 10.7801 10.7801 14.0175 14.0175 14.0268 14.0269 Writing output data file SrxNiSbx2.save init_run : 0.34s CPU 0.50s WALL ( 1 calls) electrons : 215.14s CPU 217.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 215.13s CPU 217.84s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 330 calls) cegterg : 197.32s CPU 199.52s WALL ( 608 calls) Called by sum_band: Called by *egterg: h_psi : 138.29s CPU 139.95s WALL ( 9236 calls) s_psi : 7.08s CPU 7.23s WALL ( 9236 calls) g_psi : 0.23s CPU 0.21s WALL ( 8298 calls) cdiaghg : 51.57s CPU 52.15s WALL ( 8628 calls) cegterg:over : 5.12s CPU 5.28s WALL ( 8298 calls) cegterg:upda : 4.14s CPU 4.06s WALL ( 8298 calls) cegterg:last : 2.47s CPU 2.53s WALL ( 1592 calls) cdiaghg:chol : 2.87s CPU 2.93s WALL ( 8628 calls) cdiaghg:inve : 1.88s CPU 1.89s WALL ( 8628 calls) cdiaghg:para : 2.92s CPU 2.95s WALL ( 17256 calls) Called by h_psi: h_psi:vloc : 122.66s CPU 124.22s WALL ( 9236 calls) h_psi:vnl : 15.39s CPU 15.53s WALL ( 9236 calls) add_vuspsi : 8.21s CPU 8.19s WALL ( 9236 calls) General routines calbec : 7.16s CPU 7.31s WALL ( 9236 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.19s CPU 116.81s WALL ( 922780 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 660 calls) Parallel routines fft_scatter : 34.00s CPU 34.48s WALL ( 922803 calls) PWSCF : 3m49.80s CPU 4m 9.88s WALL This run was terminated on: 21: 3:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=