Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:50:19 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: ./CdHg2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 121 32 9 3456 474 79 Max 122 33 10 3459 492 82 Sum 4375 1179 355 124457 17369 2883 bravais-lattice index = 14 lattice parameter (alat) = 9.7060 a.u. unit-cell volume = 456.5672 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.706043 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.702032 celldm(5)= -0.702032 celldm(6)= 0.404064 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.404064 0.914731 0.000000 ) a(3) = ( -0.702032 -0.457365 0.545864 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.441730 0.915978 ) b(2) = ( 0.000000 1.093218 0.915978 ) b(3) = ( 0.000000 0.000000 1.831957 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Hg 12.00 200.59000 Hg( 1.00) Cd 12.00 112.41100 Cd( 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= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0000000 0.0160698), wk = 0.0026525 k( 3) = ( 0.0000000 0.0000000 0.0321396), wk = 0.0026525 k( 4) = ( 0.0000000 0.0000000 0.0482094), wk = 0.0026525 k( 5) = ( 0.0000000 0.0000000 0.0642792), wk = 0.0026525 k( 6) = ( 0.0000000 0.0000000 0.0803490), wk = 0.0026525 k( 7) = ( 0.0000000 0.0000000 0.0964188), wk = 0.0026525 k( 8) = ( 0.0000000 0.0000000 0.1124886), wk = 0.0026525 k( 9) = ( 0.0000000 0.0000000 0.1285584), wk = 0.0026525 k( 10) = ( 0.0000000 0.0000000 0.1446282), wk = 0.0026525 k( 11) = ( 0.0000000 0.0000000 0.1606979), wk = 0.0026525 k( 12) = ( 0.0000000 0.0000000 0.1767677), wk = 0.0026525 k( 13) = ( 0.0000000 0.0000000 0.1928375), wk = 0.0026525 k( 14) = ( 0.0000000 0.0000000 0.2089073), wk = 0.0026525 k( 15) = ( 0.0000000 0.0000000 0.2249771), wk = 0.0026525 k( 16) = ( 0.0000000 0.0000000 0.2410469), wk = 0.0026525 k( 17) = ( 0.0000000 0.0000000 0.2571167), wk = 0.0026525 k( 18) = ( 0.0000000 0.0000000 0.2731865), wk = 0.0026525 k( 19) = ( 0.0000000 0.0000000 0.2892563), wk = 0.0026525 k( 20) = ( 0.0000000 0.0000000 0.3053261), wk = 0.0026525 k( 21) = ( 0.0000000 0.0000000 0.3213959), wk = 0.0026525 k( 22) = ( 0.0000000 0.0000000 0.3374657), wk = 0.0026525 k( 23) = ( 0.0000000 0.0000000 0.3535355), wk = 0.0026525 k( 24) = ( 0.0000000 0.0000000 0.3696053), wk = 0.0026525 k( 25) = ( 0.0000000 0.0000000 0.3856751), wk = 0.0026525 k( 26) = ( 0.0000000 0.0000000 0.4017449), wk = 0.0026525 k( 27) = ( 0.0000000 0.0000000 0.4178147), wk = 0.0026525 k( 28) = ( 0.0000000 0.0000000 0.4338845), wk = 0.0026525 k( 29) = ( 0.0000000 0.0000000 0.4499542), wk = 0.0026525 k( 30) = ( 0.0000000 0.0000000 0.4660240), wk = 0.0026525 k( 31) = ( 0.0000000 0.0000000 0.4820938), wk = 0.0026525 k( 32) = ( 0.0000000 0.0000000 0.4981636), wk = 0.0026525 k( 33) = ( 0.0000000 0.0000000 0.5142334), wk = 0.0026525 k( 34) = ( 0.0000000 0.0000000 0.5303032), wk = 0.0026525 k( 35) = ( 0.0000000 0.0000000 0.5463730), wk = 0.0026525 k( 36) = ( 0.0000000 0.0000000 0.5624428), wk = 0.0026525 k( 37) = ( 0.0000000 0.0000000 0.5785126), wk = 0.0026525 k( 38) = ( 0.0000000 0.0000000 0.5945824), wk = 0.0026525 k( 39) = ( 0.0000000 0.0000000 0.6106522), wk = 0.0026525 k( 40) = ( 0.0000000 0.0000000 0.6267220), wk = 0.0026525 k( 41) = ( 0.0000000 0.0000000 0.6427918), wk = 0.0026525 k( 42) = ( 0.0000000 0.0000000 0.6588616), wk = 0.0026525 k( 43) = ( 0.0000000 0.0000000 0.6749314), wk = 0.0026525 k( 44) = ( 0.0000000 0.0000000 0.6910011), wk = 0.0026525 k( 45) = ( 0.0000000 0.0000000 0.7070709), wk = 0.0026525 k( 46) = ( 0.0000000 0.0000000 0.7231407), wk = 0.0026525 k( 47) = ( 0.0000000 0.0000000 0.7392105), wk = 0.0026525 k( 48) = ( 0.0000000 0.0000000 0.7552803), wk = 0.0026525 k( 49) = ( 0.0000000 0.0000000 0.7713501), wk = 0.0026525 k( 50) = ( 0.0000000 0.0000000 0.7874199), wk = 0.0026525 k( 51) = ( 0.0000000 0.0000000 0.8034897), wk = 0.0026525 k( 52) = ( 0.0000000 0.0000000 0.8195595), wk = 0.0026525 k( 53) = ( 0.0000000 0.0000000 0.8356293), wk = 0.0026525 k( 54) = ( 0.0000000 0.0000000 0.8516991), wk = 0.0026525 k( 55) = ( 0.0000000 0.0000000 0.8677689), wk = 0.0026525 k( 56) = ( 0.0000000 0.0000000 0.8838387), wk = 0.0026525 k( 57) = ( 0.0000000 0.0000000 0.8999085), wk = 0.0026525 k( 58) = ( 0.0000000 0.0000000 0.9159783), wk = 0.0026525 k( 59) = ( 0.0000000 0.0000000 0.9159783), wk = 0.0026525 k( 60) = ( -0.0088424 0.0135727 0.9159783), wk = 0.0026525 k( 61) = ( -0.0176849 0.0271453 0.9159783), wk = 0.0026525 k( 62) = ( -0.0265273 0.0407180 0.9159783), wk = 0.0026525 k( 63) = ( -0.0353697 0.0542907 0.9159783), wk = 0.0026525 k( 64) = ( -0.0442121 0.0678633 0.9159783), wk = 0.0026525 k( 65) = ( -0.0530546 0.0814360 0.9159783), wk = 0.0026525 k( 66) = ( -0.0618970 0.0950087 0.9159783), wk = 0.0026525 k( 67) = ( -0.0707394 0.1085813 0.9159783), wk = 0.0026525 k( 68) = ( -0.0795818 0.1221540 0.9159783), wk = 0.0026525 k( 69) = ( -0.0884243 0.1357267 0.9159783), wk = 0.0026525 k( 70) = ( -0.0972667 0.1492993 0.9159783), wk = 0.0026525 k( 71) = ( -0.1061091 0.1628720 0.9159783), wk = 0.0026525 k( 72) = ( -0.1061091 0.1628720 0.9159783), wk = 0.0026525 k( 73) = ( -0.1122637 0.1723189 0.9047034), wk = 0.0026525 k( 74) = ( -0.1184182 0.1817658 0.8934286), wk = 0.0026525 k( 75) = ( -0.1245728 0.1912127 0.8821537), wk = 0.0026525 k( 76) = ( -0.1307273 0.2006596 0.8708788), wk = 0.0026525 k( 77) = ( -0.1368819 0.2101065 0.8596040), wk = 0.0026525 k( 78) = ( -0.1430364 0.2195534 0.8483291), wk = 0.0026525 k( 79) = ( -0.1491909 0.2290003 0.8370543), wk = 0.0026525 k( 80) = ( -0.1553455 0.2384472 0.8257794), wk = 0.0026525 k( 81) = ( -0.1615000 0.2478941 0.8145046), wk = 0.0026525 k( 82) = ( -0.1676546 0.2573410 0.8032297), wk = 0.0026525 k( 83) = ( -0.1738091 0.2667879 0.7919548), wk = 0.0026525 k( 84) = ( -0.1799637 0.2762348 0.7806800), wk = 0.0026525 k( 85) = ( -0.1861182 0.2856818 0.7694051), wk = 0.0026525 k( 86) = ( -0.1922728 0.2951287 0.7581302), wk = 0.0026525 k( 87) = ( -0.1984273 0.3045756 0.7468554), wk = 0.0026525 k( 88) = ( -0.2045819 0.3140225 0.7355805), wk = 0.0026525 k( 89) = ( -0.2107364 0.3234694 0.7243057), wk = 0.0026525 k( 90) = ( -0.2168909 0.3329163 0.7130308), wk = 0.0026525 k( 91) = ( -0.2230455 0.3423632 0.7017560), wk = 0.0026525 k( 92) = ( -0.2292000 0.3518101 0.6904811), wk = 0.0026525 k( 93) = ( -0.2353546 0.3612570 0.6792062), wk = 0.0026525 k( 94) = ( -0.2415091 0.3707039 0.6679314), wk = 0.0026525 k( 95) = ( -0.2476637 0.3801508 0.6566565), wk = 0.0026525 k( 96) = ( -0.2538182 0.3895977 0.6453817), wk = 0.0026525 k( 97) = ( -0.2599728 0.3990446 0.6341068), wk = 0.0026525 k( 98) = ( -0.2661273 0.4084915 0.6228320), wk = 0.0026525 k( 99) = ( -0.2722818 0.4179384 0.6115571), wk = 0.0026525 k( 100) = ( -0.2784364 0.4273853 0.6002822), wk = 0.0026525 k( 101) = ( -0.2845909 0.4368322 0.5890074), wk = 0.0026525 k( 102) = ( -0.2907455 0.4462791 0.5777325), wk = 0.0026525 k( 103) = ( -0.2969000 0.4557260 0.5664577), wk = 0.0026525 k( 104) = ( -0.3030546 0.4651729 0.5551828), wk = 0.0026525 k( 105) = ( -0.3030546 0.4651729 0.5551828), wk = 0.0026525 k( 106) = ( -0.2968698 0.4556796 0.5438525), wk = 0.0026525 k( 107) = ( -0.2906850 0.4461863 0.5325223), wk = 0.0026525 k( 108) = ( -0.2845002 0.4366930 0.5211920), wk = 0.0026525 k( 109) = ( -0.2783154 0.4271996 0.5098618), wk = 0.0026525 k( 110) = ( -0.2721306 0.4177063 0.4985315), wk = 0.0026525 k( 111) = ( -0.2659458 0.4082130 0.4872012), wk = 0.0026525 k( 112) = ( -0.2597611 0.3987197 0.4758710), wk = 0.0026525 k( 113) = ( -0.2535763 0.3892263 0.4645407), wk = 0.0026525 k( 114) = ( -0.2473915 0.3797330 0.4532104), wk = 0.0026525 k( 115) = ( -0.2412067 0.3702397 0.4418802), wk = 0.0026525 k( 116) = ( -0.2350219 0.3607464 0.4305499), wk = 0.0026525 k( 117) = ( -0.2288371 0.3512530 0.4192197), wk = 0.0026525 k( 118) = ( -0.2226523 0.3417597 0.4078894), wk = 0.0026525 k( 119) = ( -0.2164676 0.3322664 0.3965591), wk = 0.0026525 k( 120) = ( -0.2102828 0.3227731 0.3852289), wk = 0.0026525 k( 121) = ( -0.2040980 0.3132797 0.3738986), wk = 0.0026525 k( 122) = ( -0.1979132 0.3037864 0.3625684), wk = 0.0026525 k( 123) = ( -0.1917284 0.2942931 0.3512381), wk = 0.0026525 k( 124) = ( -0.1855436 0.2847998 0.3399078), wk = 0.0026525 k( 125) = ( -0.1793588 0.2753064 0.3285776), wk = 0.0026525 k( 126) = ( -0.1731740 0.2658131 0.3172473), wk = 0.0026525 k( 127) = ( -0.1669893 0.2563198 0.3059170), wk = 0.0026525 k( 128) = ( -0.1608045 0.2468265 0.2945868), wk = 0.0026525 k( 129) = ( -0.1546197 0.2373331 0.2832565), wk = 0.0026525 k( 130) = ( -0.1484349 0.2278398 0.2719263), wk = 0.0026525 k( 131) = ( -0.1422501 0.2183465 0.2605960), wk = 0.0026525 k( 132) = ( -0.1360653 0.2088532 0.2492658), wk = 0.0026525 k( 133) = ( -0.1298805 0.1993598 0.2379355), wk = 0.0026525 k( 134) = ( -0.1236957 0.1898665 0.2266052), wk = 0.0026525 k( 135) = ( -0.1175110 0.1803732 0.2152750), wk = 0.0026525 k( 136) = ( -0.1113262 0.1708799 0.2039447), wk = 0.0026525 k( 137) = ( -0.1051414 0.1613865 0.1926144), wk = 0.0026525 k( 138) = ( -0.0989566 0.1518932 0.1812842), wk = 0.0026525 k( 139) = ( -0.0927718 0.1423999 0.1699539), wk = 0.0026525 k( 140) = ( -0.0865870 0.1329066 0.1586237), wk = 0.0026525 k( 141) = ( -0.0804022 0.1234132 0.1472934), wk = 0.0026525 k( 142) = ( -0.0742175 0.1139199 0.1359631), wk = 0.0026525 k( 143) = ( -0.0680327 0.1044266 0.1246329), wk = 0.0026525 k( 144) = ( -0.0618479 0.0949333 0.1133026), wk = 0.0026525 k( 145) = ( -0.0556631 0.0854399 0.1019723), wk = 0.0026525 k( 146) = ( -0.0494783 0.0759466 0.0906421), wk = 0.0026525 k( 147) = ( -0.0432935 0.0664533 0.0793118), wk = 0.0026525 k( 148) = ( -0.0371087 0.0569599 0.0679816), wk = 0.0026525 k( 149) = ( -0.0309239 0.0474666 0.0566513), wk = 0.0026525 k( 150) = ( -0.0247392 0.0379733 0.0453210), wk = 0.0026525 k( 151) = ( -0.0185544 0.0284800 0.0339908), wk = 0.0026525 k( 152) = ( -0.0123696 0.0189866 0.0226605), wk = 0.0026525 k( 153) = ( -0.0061848 0.0094933 0.0113303), wk = 0.0026525 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 156) = ( 0.0135135 0.0088039 0.0000000), wk = 0.0026525 k( 157) = ( 0.0270270 0.0176078 0.0000000), wk = 0.0026525 k( 158) = ( 0.0405405 0.0264117 0.0000000), wk = 0.0026525 k( 159) = ( 0.0540540 0.0352156 0.0000000), wk = 0.0026525 k( 160) = ( 0.0675676 0.0440195 0.0000000), wk = 0.0026525 k( 161) = ( 0.0810811 0.0528233 0.0000000), wk = 0.0026525 k( 162) = ( 0.0945946 0.0616272 0.0000000), wk = 0.0026525 k( 163) = ( 0.1081081 0.0704311 0.0000000), wk = 0.0026525 k( 164) = ( 0.1216216 0.0792350 0.0000000), wk = 0.0026525 k( 165) = ( 0.1351351 0.0880389 0.0000000), wk = 0.0026525 k( 166) = ( 0.1486486 0.0968428 0.0000000), wk = 0.0026525 k( 167) = ( 0.1621622 0.1056467 0.0000000), wk = 0.0026525 k( 168) = ( 0.1756757 0.1144506 0.0000000), wk = 0.0026525 k( 169) = ( 0.1891892 0.1232545 0.0000000), wk = 0.0026525 k( 170) = ( 0.2027027 0.1320584 0.0000000), wk = 0.0026525 k( 171) = ( 0.2162162 0.1408623 0.0000000), wk = 0.0026525 k( 172) = ( 0.2297297 0.1496662 0.0000000), wk = 0.0026525 k( 173) = ( 0.2432432 0.1584700 0.0000000), wk = 0.0026525 k( 174) = ( 0.2567568 0.1672739 0.0000000), wk = 0.0026525 k( 175) = ( 0.2702703 0.1760778 0.0000000), wk = 0.0026525 k( 176) = ( 0.2837838 0.1848817 0.0000000), wk = 0.0026525 k( 177) = ( 0.2972973 0.1936856 0.0000000), wk = 0.0026525 k( 178) = ( 0.3108108 0.2024895 0.0000000), wk = 0.0026525 k( 179) = ( 0.3243243 0.2112934 0.0000000), wk = 0.0026525 k( 180) = ( 0.3378378 0.2200973 0.0000000), wk = 0.0026525 k( 181) = ( 0.3513514 0.2289012 0.0000000), wk = 0.0026525 k( 182) = ( 0.3648649 0.2377051 0.0000000), wk = 0.0026525 k( 183) = ( 0.3783784 0.2465090 0.0000000), wk = 0.0026525 k( 184) = ( 0.3918919 0.2553128 0.0000000), wk = 0.0026525 k( 185) = ( 0.4054054 0.2641167 0.0000000), wk = 0.0026525 k( 186) = ( 0.4189189 0.2729206 0.0000000), wk = 0.0026525 k( 187) = ( 0.4324324 0.2817245 0.0000000), wk = 0.0026525 k( 188) = ( 0.4459459 0.2905284 0.0000000), wk = 0.0026525 k( 189) = ( 0.4594595 0.2993323 0.0000000), wk = 0.0026525 k( 190) = ( 0.4729730 0.3081362 0.0000000), wk = 0.0026525 k( 191) = ( 0.4864865 0.3169401 0.0000000), wk = 0.0026525 k( 192) = ( 0.5000000 0.3257440 0.0000000), wk = 0.0026525 k( 193) = ( 0.5000000 0.3257440 0.0000000), wk = 0.0026525 k( 194) = ( 0.4938455 0.3351909 0.0112748), wk = 0.0026525 k( 195) = ( 0.4876909 0.3446378 0.0225497), wk = 0.0026525 k( 196) = ( 0.4815364 0.3540847 0.0338246), wk = 0.0026525 k( 197) = ( 0.4753818 0.3635316 0.0450994), wk = 0.0026525 k( 198) = ( 0.4692273 0.3729785 0.0563743), wk = 0.0026525 k( 199) = ( 0.4630727 0.3824254 0.0676492), wk = 0.0026525 k( 200) = ( 0.4569182 0.3918723 0.0789240), wk = 0.0026525 k( 201) = ( 0.4507636 0.4013192 0.0901989), wk = 0.0026525 k( 202) = ( 0.4446091 0.4107661 0.1014737), wk = 0.0026525 k( 203) = ( 0.4384545 0.4202130 0.1127486), wk = 0.0026525 k( 204) = ( 0.4323000 0.4296599 0.1240234), wk = 0.0026525 k( 205) = ( 0.4261455 0.4391068 0.1352983), wk = 0.0026525 k( 206) = ( 0.4199909 0.4485537 0.1465732), wk = 0.0026525 k( 207) = ( 0.4138364 0.4580006 0.1578480), wk = 0.0026525 k( 208) = ( 0.4076818 0.4674475 0.1691229), wk = 0.0026525 k( 209) = ( 0.4015273 0.4768945 0.1803977), wk = 0.0026525 k( 210) = ( 0.3953727 0.4863414 0.1916726), wk = 0.0026525 k( 211) = ( 0.3892182 0.4957883 0.2029475), wk = 0.0026525 k( 212) = ( 0.3830636 0.5052352 0.2142223), wk = 0.0026525 k( 213) = ( 0.3769091 0.5146821 0.2254972), wk = 0.0026525 k( 214) = ( 0.3707546 0.5241290 0.2367720), wk = 0.0026525 k( 215) = ( 0.3646000 0.5335759 0.2480469), wk = 0.0026525 k( 216) = ( 0.3584455 0.5430228 0.2593217), wk = 0.0026525 k( 217) = ( 0.3522909 0.5524697 0.2705966), wk = 0.0026525 k( 218) = ( 0.3461364 0.5619166 0.2818715), wk = 0.0026525 k( 219) = ( 0.3399818 0.5713635 0.2931463), wk = 0.0026525 k( 220) = ( 0.3338273 0.5808104 0.3044212), wk = 0.0026525 k( 221) = ( 0.3276728 0.5902573 0.3156960), wk = 0.0026525 k( 222) = ( 0.3215182 0.5997042 0.3269709), wk = 0.0026525 k( 223) = ( 0.3153637 0.6091511 0.3382458), wk = 0.0026525 k( 224) = ( 0.3092091 0.6185980 0.3495206), wk = 0.0026525 k( 225) = ( 0.3030546 0.6280449 0.3607955), wk = 0.0026525 k( 226) = ( 0.3030546 0.6280449 0.3607955), wk = 0.0026525 k( 227) = ( 0.2886234 0.6241670 0.3654237), wk = 0.0026525 k( 228) = ( 0.2741922 0.6202891 0.3700520), wk = 0.0026525 k( 229) = ( 0.2597611 0.6164112 0.3746803), wk = 0.0026525 k( 230) = ( 0.2453299 0.6125333 0.3793086), wk = 0.0026525 k( 231) = ( 0.2308987 0.6086554 0.3839368), wk = 0.0026525 k( 232) = ( 0.2164676 0.6047775 0.3885651), wk = 0.0026525 k( 233) = ( 0.2020364 0.6008996 0.3931934), wk = 0.0026525 k( 234) = ( 0.1876052 0.5970217 0.3978216), wk = 0.0026525 k( 235) = ( 0.1731740 0.5931438 0.4024499), wk = 0.0026525 k( 236) = ( 0.1587429 0.5892659 0.4070782), wk = 0.0026525 k( 237) = ( 0.1443117 0.5853880 0.4117064), wk = 0.0026525 k( 238) = ( 0.1298805 0.5815101 0.4163347), wk = 0.0026525 k( 239) = ( 0.1154494 0.5776322 0.4209630), wk = 0.0026525 k( 240) = ( 0.1010182 0.5737543 0.4255913), wk = 0.0026525 k( 241) = ( 0.0865870 0.5698764 0.4302195), wk = 0.0026525 k( 242) = ( 0.0721558 0.5659985 0.4348478), wk = 0.0026525 k( 243) = ( 0.0577247 0.5621206 0.4394761), wk = 0.0026525 k( 244) = ( 0.0432935 0.5582427 0.4441043), wk = 0.0026525 k( 245) = ( 0.0288623 0.5543648 0.4487326), wk = 0.0026525 k( 246) = ( 0.0144312 0.5504868 0.4533609), wk = 0.0026525 k( 247) = ( 0.0000000 0.5466089 0.4579891), wk = 0.0026525 k( 248) = ( 0.0000000 0.5466089 0.4579891), wk = 0.0026525 k( 249) = ( 0.0062500 0.5370155 0.4694389), wk = 0.0026525 k( 250) = ( 0.0125000 0.5274221 0.4808886), wk = 0.0026525 k( 251) = ( 0.0187500 0.5178287 0.4923383), wk = 0.0026525 k( 252) = ( 0.0250000 0.5082352 0.5037880), wk = 0.0026525 k( 253) = ( 0.0312500 0.4986418 0.5152378), wk = 0.0026525 k( 254) = ( 0.0375000 0.4890484 0.5266875), wk = 0.0026525 k( 255) = ( 0.0437500 0.4794550 0.5381372), wk = 0.0026525 k( 256) = ( 0.0500000 0.4698615 0.5495870), wk = 0.0026525 k( 257) = ( 0.0562500 0.4602681 0.5610367), wk = 0.0026525 k( 258) = ( 0.0625000 0.4506747 0.5724864), wk = 0.0026525 k( 259) = ( 0.0687500 0.4410813 0.5839361), wk = 0.0026525 k( 260) = ( 0.0750000 0.4314879 0.5953859), wk = 0.0026525 k( 261) = ( 0.0812500 0.4218944 0.6068356), wk = 0.0026525 k( 262) = ( 0.0875000 0.4123010 0.6182853), wk = 0.0026525 k( 263) = ( 0.0937500 0.4027076 0.6297351), wk = 0.0026525 k( 264) = ( 0.1000000 0.3931142 0.6411848), wk = 0.0026525 k( 265) = ( 0.1062500 0.3835207 0.6526345), wk = 0.0026525 k( 266) = ( 0.1125000 0.3739273 0.6640842), wk = 0.0026525 k( 267) = ( 0.1187500 0.3643339 0.6755340), wk = 0.0026525 k( 268) = ( 0.1250000 0.3547405 0.6869837), wk = 0.0026525 k( 269) = ( 0.1312500 0.3451470 0.6984334), wk = 0.0026525 k( 270) = ( 0.1375000 0.3355536 0.7098832), wk = 0.0026525 k( 271) = ( 0.1437500 0.3259602 0.7213329), wk = 0.0026525 k( 272) = ( 0.1500000 0.3163668 0.7327826), wk = 0.0026525 k( 273) = ( 0.1562500 0.3067733 0.7442323), wk = 0.0026525 k( 274) = ( 0.1625000 0.2971799 0.7556821), wk = 0.0026525 k( 275) = ( 0.1687500 0.2875865 0.7671318), wk = 0.0026525 k( 276) = ( 0.1750000 0.2779931 0.7785815), wk = 0.0026525 k( 277) = ( 0.1812500 0.2683996 0.7900313), wk = 0.0026525 k( 278) = ( 0.1875000 0.2588062 0.8014810), wk = 0.0026525 k( 279) = ( 0.1937500 0.2492128 0.8129307), wk = 0.0026525 k( 280) = ( 0.2000000 0.2396194 0.8243804), wk = 0.0026525 k( 281) = ( 0.2062500 0.2300260 0.8358302), wk = 0.0026525 k( 282) = ( 0.2125000 0.2204325 0.8472799), wk = 0.0026525 k( 283) = ( 0.2187500 0.2108391 0.8587296), wk = 0.0026525 k( 284) = ( 0.2250000 0.2012457 0.8701794), wk = 0.0026525 k( 285) = ( 0.2312500 0.1916523 0.8816291), wk = 0.0026525 k( 286) = ( 0.2375000 0.1820588 0.8930788), wk = 0.0026525 k( 287) = ( 0.2437500 0.1724654 0.9045285), wk = 0.0026525 k( 288) = ( 0.2500000 0.1628720 0.9159783), wk = 0.0026525 k( 289) = ( 0.2500000 0.1628720 0.9159783), wk = 0.0026525 k( 290) = ( 0.2613636 0.1702753 0.9071425), wk = 0.0026525 k( 291) = ( 0.2727273 0.1776785 0.8983067), wk = 0.0026525 k( 292) = ( 0.2840909 0.1850818 0.8894709), wk = 0.0026525 k( 293) = ( 0.2954545 0.1924851 0.8806351), wk = 0.0026525 k( 294) = ( 0.3068182 0.1998883 0.8717993), wk = 0.0026525 k( 295) = ( 0.3181818 0.2072916 0.8629636), wk = 0.0026525 k( 296) = ( 0.3295455 0.2146949 0.8541278), wk = 0.0026525 k( 297) = ( 0.3409091 0.2220982 0.8452920), wk = 0.0026525 k( 298) = ( 0.3522727 0.2295014 0.8364562), wk = 0.0026525 k( 299) = ( 0.3636364 0.2369047 0.8276204), wk = 0.0026525 k( 300) = ( 0.3750000 0.2443080 0.8187846), wk = 0.0026525 k( 301) = ( 0.3863636 0.2517113 0.8099488), wk = 0.0026525 k( 302) = ( 0.3977273 0.2591145 0.8011130), wk = 0.0026525 k( 303) = ( 0.4090909 0.2665178 0.7922772), wk = 0.0026525 k( 304) = ( 0.4204545 0.2739211 0.7834415), wk = 0.0026525 k( 305) = ( 0.4318182 0.2813243 0.7746057), wk = 0.0026525 k( 306) = ( 0.4431818 0.2887276 0.7657699), wk = 0.0026525 k( 307) = ( 0.4545455 0.2961309 0.7569341), wk = 0.0026525 k( 308) = ( 0.4659091 0.3035342 0.7480983), wk = 0.0026525 k( 309) = ( 0.4772727 0.3109374 0.7392625), wk = 0.0026525 k( 310) = ( 0.4886364 0.3183407 0.7304267), wk = 0.0026525 k( 311) = ( 0.5000000 0.3257440 0.7215909), wk = 0.0026525 k( 312) = ( 0.5000000 0.3257440 0.7215909), wk = 0.0026525 k( 313) = ( 0.5000000 0.3257440 0.7055556), wk = 0.0026525 k( 314) = ( 0.5000000 0.3257440 0.6895202), wk = 0.0026525 k( 315) = ( 0.5000000 0.3257440 0.6734849), wk = 0.0026525 k( 316) = ( 0.5000000 0.3257440 0.6574495), wk = 0.0026525 k( 317) = ( 0.5000000 0.3257440 0.6414142), wk = 0.0026525 k( 318) = ( 0.5000000 0.3257440 0.6253788), wk = 0.0026525 k( 319) = ( 0.5000000 0.3257440 0.6093435), wk = 0.0026525 k( 320) = ( 0.5000000 0.3257440 0.5933081), wk = 0.0026525 k( 321) = ( 0.5000000 0.3257440 0.5772728), wk = 0.0026525 k( 322) = ( 0.5000000 0.3257440 0.5612374), wk = 0.0026525 k( 323) = ( 0.5000000 0.3257440 0.5452020), wk = 0.0026525 k( 324) = ( 0.5000000 0.3257440 0.5291667), wk = 0.0026525 k( 325) = ( 0.5000000 0.3257440 0.5131313), wk = 0.0026525 k( 326) = ( 0.5000000 0.3257440 0.4970960), wk = 0.0026525 k( 327) = ( 0.5000000 0.3257440 0.4810606), wk = 0.0026525 k( 328) = ( 0.5000000 0.3257440 0.4650253), wk = 0.0026525 k( 329) = ( 0.5000000 0.3257440 0.4489899), wk = 0.0026525 k( 330) = ( 0.5000000 0.3257440 0.4329546), wk = 0.0026525 k( 331) = ( 0.5000000 0.3257440 0.4169192), wk = 0.0026525 k( 332) = ( 0.5000000 0.3257440 0.4008839), wk = 0.0026525 k( 333) = ( 0.5000000 0.3257440 0.3848485), wk = 0.0026525 k( 334) = ( 0.5000000 0.3257440 0.3688132), wk = 0.0026525 k( 335) = ( 0.5000000 0.3257440 0.3527778), wk = 0.0026525 k( 336) = ( 0.5000000 0.3257440 0.3367424), wk = 0.0026525 k( 337) = ( 0.5000000 0.3257440 0.3207071), wk = 0.0026525 k( 338) = ( 0.5000000 0.3257440 0.3046717), wk = 0.0026525 k( 339) = ( 0.5000000 0.3257440 0.2886364), wk = 0.0026525 k( 340) = ( 0.5000000 0.3257440 0.2726010), wk = 0.0026525 k( 341) = ( 0.5000000 0.3257440 0.2565657), wk = 0.0026525 k( 342) = ( 0.5000000 0.3257440 0.2405303), wk = 0.0026525 k( 343) = ( 0.5000000 0.3257440 0.2244950), wk = 0.0026525 k( 344) = ( 0.5000000 0.3257440 0.2084596), wk = 0.0026525 k( 345) = ( 0.5000000 0.3257440 0.1924242), wk = 0.0026525 k( 346) = ( 0.5000000 0.3257440 0.1763889), wk = 0.0026525 k( 347) = ( 0.5000000 0.3257440 0.1603535), wk = 0.0026525 k( 348) = ( 0.5000000 0.3257440 0.1443182), wk = 0.0026525 k( 349) = ( 0.5000000 0.3257440 0.1282828), wk = 0.0026525 k( 350) = ( 0.5000000 0.3257440 0.1122475), wk = 0.0026525 k( 351) = ( 0.5000000 0.3257440 0.0962121), wk = 0.0026525 k( 352) = ( 0.5000000 0.3257440 0.0801768), wk = 0.0026525 k( 353) = ( 0.5000000 0.3257440 0.0641414), wk = 0.0026525 k( 354) = ( 0.5000000 0.3257440 0.0481061), wk = 0.0026525 k( 355) = ( 0.5000000 0.3257440 0.0320707), wk = 0.0026525 k( 356) = ( 0.5000000 0.3257440 0.0160354), wk = 0.0026525 k( 357) = ( 0.5000000 0.3257440 0.0000000), wk = 0.0026525 k( 358) = ( 0.0000000 0.0000000 0.9159783), wk = 0.0026525 k( 359) = ( 0.0131579 0.0085722 0.9159783), wk = 0.0026525 k( 360) = ( 0.0263158 0.0171444 0.9159783), wk = 0.0026525 k( 361) = ( 0.0394737 0.0257166 0.9159783), wk = 0.0026525 k( 362) = ( 0.0526316 0.0342888 0.9159783), wk = 0.0026525 k( 363) = ( 0.0657895 0.0428610 0.9159783), wk = 0.0026525 k( 364) = ( 0.0789474 0.0514333 0.9159783), wk = 0.0026525 k( 365) = ( 0.0921053 0.0600055 0.9159783), wk = 0.0026525 k( 366) = ( 0.1052632 0.0685777 0.9159783), wk = 0.0026525 k( 367) = ( 0.1184210 0.0771499 0.9159783), wk = 0.0026525 k( 368) = ( 0.1315790 0.0857221 0.9159783), wk = 0.0026525 k( 369) = ( 0.1447368 0.0942943 0.9159783), wk = 0.0026525 k( 370) = ( 0.1578947 0.1028665 0.9159783), wk = 0.0026525 k( 371) = ( 0.1710526 0.1114387 0.9159783), wk = 0.0026525 k( 372) = ( 0.1842105 0.1200109 0.9159783), wk = 0.0026525 k( 373) = ( 0.1973684 0.1285831 0.9159783), wk = 0.0026525 k( 374) = ( 0.2105263 0.1371554 0.9159783), wk = 0.0026525 k( 375) = ( 0.2236842 0.1457276 0.9159783), wk = 0.0026525 k( 376) = ( 0.2368421 0.1542998 0.9159783), wk = 0.0026525 k( 377) = ( 0.2500000 0.1628720 0.9159783), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0026525 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0026525 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026525 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0026525 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0026525 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026525 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0026525 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0026525 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026525 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0026525 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0026525 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026525 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0026525 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0026525 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026525 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0026525 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0026525 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026525 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026525 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0026525 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026525 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0026525 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0026525 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026525 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0026525 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0026525 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026525 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0026525 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0026525 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026525 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0026525 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0026525 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026525 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0026525 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0026525 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026525 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0026525 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026525 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026525 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0026525 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0026525 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0026525 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0026525 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0026525 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026525 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0026525 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0026525 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026525 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0026525 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0026525 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026525 k( 53) = ( 0.0000000 0.0000000 0.4561403), wk = 0.0026525 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0026525 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026525 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0026525 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0026525 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 60) = ( -0.0088424 0.0088424 0.5000000), wk = 0.0026525 k( 61) = ( -0.0176849 0.0176849 0.5000000), wk = 0.0026525 k( 62) = ( -0.0265273 0.0265273 0.5000000), wk = 0.0026525 k( 63) = ( -0.0353697 0.0353697 0.5000000), wk = 0.0026525 k( 64) = ( -0.0442121 0.0442121 0.5000000), wk = 0.0026525 k( 65) = ( -0.0530546 0.0530546 0.5000000), wk = 0.0026525 k( 66) = ( -0.0618970 0.0618970 0.5000000), wk = 0.0026525 k( 67) = ( -0.0707394 0.0707394 0.5000000), wk = 0.0026525 k( 68) = ( -0.0795818 0.0795819 0.5000000), wk = 0.0026525 k( 69) = ( -0.0884243 0.0884243 0.5000000), wk = 0.0026525 k( 70) = ( -0.0972667 0.0972667 0.5000000), wk = 0.0026525 k( 71) = ( -0.1061091 0.1061091 0.5000000), wk = 0.0026525 k( 72) = ( -0.1061091 0.1061091 0.5000000), wk = 0.0026525 k( 73) = ( -0.1122637 0.1122637 0.4938455), wk = 0.0026525 k( 74) = ( -0.1184182 0.1184182 0.4876909), wk = 0.0026525 k( 75) = ( -0.1245728 0.1245728 0.4815364), wk = 0.0026525 k( 76) = ( -0.1307273 0.1307273 0.4753818), wk = 0.0026525 k( 77) = ( -0.1368819 0.1368819 0.4692273), wk = 0.0026525 k( 78) = ( -0.1430364 0.1430364 0.4630727), wk = 0.0026525 k( 79) = ( -0.1491909 0.1491910 0.4569182), wk = 0.0026525 k( 80) = ( -0.1553455 0.1553455 0.4507636), wk = 0.0026525 k( 81) = ( -0.1615000 0.1615000 0.4446091), wk = 0.0026525 k( 82) = ( -0.1676546 0.1676546 0.4384545), wk = 0.0026525 k( 83) = ( -0.1738091 0.1738091 0.4323000), wk = 0.0026525 k( 84) = ( -0.1799637 0.1799637 0.4261455), wk = 0.0026525 k( 85) = ( -0.1861182 0.1861182 0.4199909), wk = 0.0026525 k( 86) = ( -0.1922728 0.1922728 0.4138364), wk = 0.0026525 k( 87) = ( -0.1984273 0.1984273 0.4076818), wk = 0.0026525 k( 88) = ( -0.2045819 0.2045818 0.4015273), wk = 0.0026525 k( 89) = ( -0.2107364 0.2107364 0.3953727), wk = 0.0026525 k( 90) = ( -0.2168909 0.2168909 0.3892182), wk = 0.0026525 k( 91) = ( -0.2230455 0.2230455 0.3830636), wk = 0.0026525 k( 92) = ( -0.2292000 0.2292000 0.3769091), wk = 0.0026525 k( 93) = ( -0.2353546 0.2353546 0.3707546), wk = 0.0026525 k( 94) = ( -0.2415091 0.2415091 0.3646000), wk = 0.0026525 k( 95) = ( -0.2476637 0.2476637 0.3584455), wk = 0.0026525 k( 96) = ( -0.2538182 0.2538182 0.3522909), wk = 0.0026525 k( 97) = ( -0.2599728 0.2599728 0.3461364), wk = 0.0026525 k( 98) = ( -0.2661273 0.2661273 0.3399818), wk = 0.0026525 k( 99) = ( -0.2722818 0.2722818 0.3338273), wk = 0.0026525 k( 100) = ( -0.2784364 0.2784364 0.3276727), wk = 0.0026525 k( 101) = ( -0.2845909 0.2845909 0.3215182), wk = 0.0026525 k( 102) = ( -0.2907455 0.2907455 0.3153637), wk = 0.0026525 k( 103) = ( -0.2969000 0.2969000 0.3092091), wk = 0.0026525 k( 104) = ( -0.3030546 0.3030546 0.3030546), wk = 0.0026525 k( 105) = ( -0.3030546 0.3030546 0.3030546), wk = 0.0026525 k( 106) = ( -0.2968698 0.2968698 0.2968698), wk = 0.0026525 k( 107) = ( -0.2906850 0.2906850 0.2906850), wk = 0.0026525 k( 108) = ( -0.2845002 0.2845002 0.2845002), wk = 0.0026525 k( 109) = ( -0.2783154 0.2783154 0.2783154), wk = 0.0026525 k( 110) = ( -0.2721306 0.2721306 0.2721306), wk = 0.0026525 k( 111) = ( -0.2659458 0.2659459 0.2659458), wk = 0.0026525 k( 112) = ( -0.2597611 0.2597611 0.2597611), wk = 0.0026525 k( 113) = ( -0.2535763 0.2535763 0.2535763), wk = 0.0026525 k( 114) = ( -0.2473915 0.2473915 0.2473915), wk = 0.0026525 k( 115) = ( -0.2412067 0.2412067 0.2412067), wk = 0.0026525 k( 116) = ( -0.2350219 0.2350219 0.2350219), wk = 0.0026525 k( 117) = ( -0.2288371 0.2288371 0.2288371), wk = 0.0026525 k( 118) = ( -0.2226523 0.2226523 0.2226523), wk = 0.0026525 k( 119) = ( -0.2164676 0.2164676 0.2164675), wk = 0.0026525 k( 120) = ( -0.2102828 0.2102828 0.2102828), wk = 0.0026525 k( 121) = ( -0.2040980 0.2040980 0.2040980), wk = 0.0026525 k( 122) = ( -0.1979132 0.1979132 0.1979132), wk = 0.0026525 k( 123) = ( -0.1917284 0.1917284 0.1917284), wk = 0.0026525 k( 124) = ( -0.1855436 0.1855436 0.1855436), wk = 0.0026525 k( 125) = ( -0.1793588 0.1793588 0.1793588), wk = 0.0026525 k( 126) = ( -0.1731740 0.1731740 0.1731740), wk = 0.0026525 k( 127) = ( -0.1669893 0.1669893 0.1669892), wk = 0.0026525 k( 128) = ( -0.1608045 0.1608045 0.1608045), wk = 0.0026525 k( 129) = ( -0.1546197 0.1546197 0.1546197), wk = 0.0026525 k( 130) = ( -0.1484349 0.1484349 0.1484349), wk = 0.0026525 k( 131) = ( -0.1422501 0.1422501 0.1422501), wk = 0.0026525 k( 132) = ( -0.1360653 0.1360653 0.1360653), wk = 0.0026525 k( 133) = ( -0.1298805 0.1298805 0.1298805), wk = 0.0026525 k( 134) = ( -0.1236957 0.1236957 0.1236957), wk = 0.0026525 k( 135) = ( -0.1175110 0.1175110 0.1175110), wk = 0.0026525 k( 136) = ( -0.1113262 0.1113262 0.1113262), wk = 0.0026525 k( 137) = ( -0.1051414 0.1051414 0.1051414), wk = 0.0026525 k( 138) = ( -0.0989566 0.0989566 0.0989566), wk = 0.0026525 k( 139) = ( -0.0927718 0.0927718 0.0927718), wk = 0.0026525 k( 140) = ( -0.0865870 0.0865870 0.0865870), wk = 0.0026525 k( 141) = ( -0.0804022 0.0804022 0.0804022), wk = 0.0026525 k( 142) = ( -0.0742175 0.0742175 0.0742175), wk = 0.0026525 k( 143) = ( -0.0680327 0.0680327 0.0680327), wk = 0.0026525 k( 144) = ( -0.0618479 0.0618479 0.0618479), wk = 0.0026525 k( 145) = ( -0.0556631 0.0556631 0.0556631), wk = 0.0026525 k( 146) = ( -0.0494783 0.0494783 0.0494783), wk = 0.0026525 k( 147) = ( -0.0432935 0.0432935 0.0432935), wk = 0.0026525 k( 148) = ( -0.0371087 0.0371087 0.0371087), wk = 0.0026525 k( 149) = ( -0.0309239 0.0309239 0.0309239), wk = 0.0026525 k( 150) = ( -0.0247392 0.0247392 0.0247392), wk = 0.0026525 k( 151) = ( -0.0185544 0.0185544 0.0185544), wk = 0.0026525 k( 152) = ( -0.0123696 0.0123696 0.0123696), wk = 0.0026525 k( 153) = ( -0.0061848 0.0061848 0.0061848), wk = 0.0026525 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 156) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0026525 k( 157) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0026525 k( 158) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0026525 k( 159) = ( 0.0540540 0.0540541 -0.0540540), wk = 0.0026525 k( 160) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0026525 k( 161) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0026525 k( 162) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0026525 k( 163) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0026525 k( 164) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0026525 k( 165) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0026525 k( 166) = ( 0.1486486 0.1486487 -0.1486486), wk = 0.0026525 k( 167) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0026525 k( 168) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0026525 k( 169) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0026525 k( 170) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0026525 k( 171) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0026525 k( 172) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0026525 k( 173) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0026525 k( 174) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0026525 k( 175) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0026525 k( 176) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0026525 k( 177) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0026525 k( 178) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0026525 k( 179) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0026525 k( 180) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0026525 k( 181) = ( 0.3513514 0.3513514 -0.3513514), wk = 0.0026525 k( 182) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0026525 k( 183) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0026525 k( 184) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0026525 k( 185) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0026525 k( 186) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0026525 k( 187) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0026525 k( 188) = ( 0.4459459 0.4459460 -0.4459459), wk = 0.0026525 k( 189) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0026525 k( 190) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0026525 k( 191) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0026525 k( 192) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026525 k( 193) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026525 k( 194) = ( 0.4938455 0.5061545 -0.4938455), wk = 0.0026525 k( 195) = ( 0.4876909 0.5123091 -0.4876909), wk = 0.0026525 k( 196) = ( 0.4815364 0.5184636 -0.4815364), wk = 0.0026525 k( 197) = ( 0.4753818 0.5246182 -0.4753818), wk = 0.0026525 k( 198) = ( 0.4692273 0.5307727 -0.4692273), wk = 0.0026525 k( 199) = ( 0.4630727 0.5369273 -0.4630727), wk = 0.0026525 k( 200) = ( 0.4569182 0.5430818 -0.4569182), wk = 0.0026525 k( 201) = ( 0.4507636 0.5492364 -0.4507636), wk = 0.0026525 k( 202) = ( 0.4446091 0.5553909 -0.4446091), wk = 0.0026525 k( 203) = ( 0.4384545 0.5615455 -0.4384545), wk = 0.0026525 k( 204) = ( 0.4323000 0.5677000 -0.4323000), wk = 0.0026525 k( 205) = ( 0.4261455 0.5738545 -0.4261455), wk = 0.0026525 k( 206) = ( 0.4199909 0.5800091 -0.4199909), wk = 0.0026525 k( 207) = ( 0.4138364 0.5861636 -0.4138364), wk = 0.0026525 k( 208) = ( 0.4076818 0.5923182 -0.4076818), wk = 0.0026525 k( 209) = ( 0.4015273 0.5984727 -0.4015273), wk = 0.0026525 k( 210) = ( 0.3953727 0.6046273 -0.3953727), wk = 0.0026525 k( 211) = ( 0.3892182 0.6107818 -0.3892182), wk = 0.0026525 k( 212) = ( 0.3830636 0.6169364 -0.3830636), wk = 0.0026525 k( 213) = ( 0.3769091 0.6230909 -0.3769091), wk = 0.0026525 k( 214) = ( 0.3707546 0.6292454 -0.3707546), wk = 0.0026525 k( 215) = ( 0.3646000 0.6354000 -0.3646000), wk = 0.0026525 k( 216) = ( 0.3584455 0.6415545 -0.3584455), wk = 0.0026525 k( 217) = ( 0.3522909 0.6477091 -0.3522909), wk = 0.0026525 k( 218) = ( 0.3461364 0.6538636 -0.3461364), wk = 0.0026525 k( 219) = ( 0.3399818 0.6600182 -0.3399818), wk = 0.0026525 k( 220) = ( 0.3338273 0.6661727 -0.3338273), wk = 0.0026525 k( 221) = ( 0.3276728 0.6723273 -0.3276728), wk = 0.0026525 k( 222) = ( 0.3215182 0.6784818 -0.3215182), wk = 0.0026525 k( 223) = ( 0.3153637 0.6846363 -0.3153637), wk = 0.0026525 k( 224) = ( 0.3092091 0.6907909 -0.3092091), wk = 0.0026525 k( 225) = ( 0.3030546 0.6969454 -0.3030546), wk = 0.0026525 k( 226) = ( 0.3030546 0.6969454 -0.3030546), wk = 0.0026525 k( 227) = ( 0.2886234 0.6875671 -0.2886234), wk = 0.0026525 k( 228) = ( 0.2741922 0.6781887 -0.2741922), wk = 0.0026525 k( 229) = ( 0.2597611 0.6688104 -0.2597611), wk = 0.0026525 k( 230) = ( 0.2453299 0.6594320 -0.2453299), wk = 0.0026525 k( 231) = ( 0.2308987 0.6500537 -0.2308987), wk = 0.0026525 k( 232) = ( 0.2164676 0.6406753 -0.2164676), wk = 0.0026525 k( 233) = ( 0.2020364 0.6312969 -0.2020364), wk = 0.0026525 k( 234) = ( 0.1876052 0.6219186 -0.1876052), wk = 0.0026525 k( 235) = ( 0.1731740 0.6125403 -0.1731740), wk = 0.0026525 k( 236) = ( 0.1587429 0.6031619 -0.1587429), wk = 0.0026525 k( 237) = ( 0.1443117 0.5937835 -0.1443117), wk = 0.0026525 k( 238) = ( 0.1298805 0.5844052 -0.1298805), wk = 0.0026525 k( 239) = ( 0.1154494 0.5750268 -0.1154494), wk = 0.0026525 k( 240) = ( 0.1010182 0.5656485 -0.1010182), wk = 0.0026525 k( 241) = ( 0.0865870 0.5562701 -0.0865870), wk = 0.0026525 k( 242) = ( 0.0721558 0.5468918 -0.0721559), wk = 0.0026525 k( 243) = ( 0.0577247 0.5375134 -0.0577247), wk = 0.0026525 k( 244) = ( 0.0432935 0.5281351 -0.0432935), wk = 0.0026525 k( 245) = ( 0.0288623 0.5187567 -0.0288623), wk = 0.0026525 k( 246) = ( 0.0144312 0.5093783 -0.0144312), wk = 0.0026525 k( 247) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 248) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 249) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0026525 k( 250) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0026525 k( 251) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0026525 k( 252) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0026525 k( 253) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0026525 k( 254) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0026525 k( 255) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0026525 k( 256) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0026525 k( 257) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0026525 k( 258) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026525 k( 259) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0026525 k( 260) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0026525 k( 261) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0026525 k( 262) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0026525 k( 263) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0026525 k( 264) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0026525 k( 265) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0026525 k( 266) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0026525 k( 267) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0026525 k( 268) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026525 k( 269) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0026525 k( 270) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0026525 k( 271) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0026525 k( 272) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0026525 k( 273) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0026525 k( 274) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0026525 k( 275) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0026525 k( 276) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0026525 k( 277) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0026525 k( 278) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026525 k( 279) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0026525 k( 280) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0026525 k( 281) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0026525 k( 282) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0026525 k( 283) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0026525 k( 284) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0026525 k( 285) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0026525 k( 286) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0026525 k( 287) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0026525 k( 288) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026525 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026525 k( 290) = ( 0.2613636 0.2613636 0.2338132), wk = 0.0026525 k( 291) = ( 0.2727273 0.2727273 0.2176264), wk = 0.0026525 k( 292) = ( 0.2840909 0.2840909 0.2014397), wk = 0.0026525 k( 293) = ( 0.2954545 0.2954546 0.1852529), wk = 0.0026525 k( 294) = ( 0.3068182 0.3068182 0.1690661), wk = 0.0026525 k( 295) = ( 0.3181818 0.3181818 0.1528793), wk = 0.0026525 k( 296) = ( 0.3295455 0.3295455 0.1366926), wk = 0.0026525 k( 297) = ( 0.3409091 0.3409091 0.1205058), wk = 0.0026525 k( 298) = ( 0.3522727 0.3522727 0.1043190), wk = 0.0026525 k( 299) = ( 0.3636364 0.3636364 0.0881322), wk = 0.0026525 k( 300) = ( 0.3750000 0.3750000 0.0719454), wk = 0.0026525 k( 301) = ( 0.3863636 0.3863636 0.0557586), wk = 0.0026525 k( 302) = ( 0.3977273 0.3977273 0.0395719), wk = 0.0026525 k( 303) = ( 0.4090909 0.4090909 0.0233851), wk = 0.0026525 k( 304) = ( 0.4204545 0.4204546 0.0071983), wk = 0.0026525 k( 305) = ( 0.4318182 0.4318182 -0.0089885), wk = 0.0026525 k( 306) = ( 0.4431818 0.4431818 -0.0251752), wk = 0.0026525 k( 307) = ( 0.4545455 0.4545455 -0.0413620), wk = 0.0026525 k( 308) = ( 0.4659091 0.4659091 -0.0575488), wk = 0.0026525 k( 309) = ( 0.4772727 0.4772727 -0.0737356), wk = 0.0026525 k( 310) = ( 0.4886364 0.4886364 -0.0899224), wk = 0.0026525 k( 311) = ( 0.5000000 0.5000000 -0.1061091), wk = 0.0026525 k( 312) = ( 0.5000000 0.5000000 -0.1061091), wk = 0.0026525 k( 313) = ( 0.5000000 0.5000000 -0.1148623), wk = 0.0026525 k( 314) = ( 0.5000000 0.5000000 -0.1236154), wk = 0.0026525 k( 315) = ( 0.5000000 0.5000000 -0.1323685), wk = 0.0026525 k( 316) = ( 0.5000000 0.5000000 -0.1411217), wk = 0.0026525 k( 317) = ( 0.5000000 0.5000000 -0.1498748), wk = 0.0026525 k( 318) = ( 0.5000000 0.5000000 -0.1586279), wk = 0.0026525 k( 319) = ( 0.5000000 0.5000000 -0.1673811), wk = 0.0026525 k( 320) = ( 0.5000000 0.5000000 -0.1761342), wk = 0.0026525 k( 321) = ( 0.5000000 0.5000000 -0.1848873), wk = 0.0026525 k( 322) = ( 0.5000000 0.5000000 -0.1936404), wk = 0.0026525 k( 323) = ( 0.5000000 0.5000000 -0.2023936), wk = 0.0026525 k( 324) = ( 0.5000000 0.5000000 -0.2111467), wk = 0.0026525 k( 325) = ( 0.5000000 0.5000000 -0.2198998), wk = 0.0026525 k( 326) = ( 0.5000000 0.5000000 -0.2286530), wk = 0.0026525 k( 327) = ( 0.5000000 0.5000000 -0.2374061), wk = 0.0026525 k( 328) = ( 0.5000000 0.5000000 -0.2461592), wk = 0.0026525 k( 329) = ( 0.5000000 0.5000000 -0.2549124), wk = 0.0026525 k( 330) = ( 0.5000000 0.5000000 -0.2636655), wk = 0.0026525 k( 331) = ( 0.5000000 0.5000000 -0.2724186), wk = 0.0026525 k( 332) = ( 0.5000000 0.5000000 -0.2811717), wk = 0.0026525 k( 333) = ( 0.5000000 0.5000000 -0.2899249), wk = 0.0026525 k( 334) = ( 0.5000000 0.5000000 -0.2986780), wk = 0.0026525 k( 335) = ( 0.5000000 0.5000000 -0.3074311), wk = 0.0026525 k( 336) = ( 0.5000000 0.5000000 -0.3161843), wk = 0.0026525 k( 337) = ( 0.5000000 0.5000000 -0.3249374), wk = 0.0026525 k( 338) = ( 0.5000000 0.5000000 -0.3336905), wk = 0.0026525 k( 339) = ( 0.5000000 0.5000000 -0.3424436), wk = 0.0026525 k( 340) = ( 0.5000000 0.5000000 -0.3511968), wk = 0.0026525 k( 341) = ( 0.5000000 0.5000000 -0.3599499), wk = 0.0026525 k( 342) = ( 0.5000000 0.5000000 -0.3687030), wk = 0.0026525 k( 343) = ( 0.5000000 0.5000000 -0.3774562), wk = 0.0026525 k( 344) = ( 0.5000000 0.5000000 -0.3862093), wk = 0.0026525 k( 345) = ( 0.5000000 0.5000000 -0.3949624), wk = 0.0026525 k( 346) = ( 0.5000000 0.5000000 -0.4037156), wk = 0.0026525 k( 347) = ( 0.5000000 0.5000000 -0.4124687), wk = 0.0026525 k( 348) = ( 0.5000000 0.5000000 -0.4212218), wk = 0.0026525 k( 349) = ( 0.5000000 0.5000000 -0.4299750), wk = 0.0026525 k( 350) = ( 0.5000000 0.5000000 -0.4387281), wk = 0.0026525 k( 351) = ( 0.5000000 0.5000000 -0.4474812), wk = 0.0026525 k( 352) = ( 0.5000000 0.5000000 -0.4562344), wk = 0.0026525 k( 353) = ( 0.5000000 0.5000000 -0.4649875), wk = 0.0026525 k( 354) = ( 0.5000000 0.5000000 -0.4737406), wk = 0.0026525 k( 355) = ( 0.5000000 0.5000000 -0.4824937), wk = 0.0026525 k( 356) = ( 0.5000000 0.5000000 -0.4912469), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026525 k( 358) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 359) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0026525 k( 360) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0026525 k( 361) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0026525 k( 362) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0026525 k( 363) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0026525 k( 364) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0026525 k( 365) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0026525 k( 366) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0026525 k( 367) = ( 0.1184210 0.1184211 0.3815789), wk = 0.0026525 k( 368) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0026525 k( 369) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0026525 k( 370) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0026525 k( 371) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0026525 k( 372) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0026525 k( 373) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0026525 k( 374) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0026525 k( 375) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0026525 k( 376) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0026525 k( 377) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026525 Dense grid: 124457 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 17369 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 126, 44) NL pseudopotentials 0.10 Mb ( 63, 102) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.03 Mb ( 3457) G-vector shells 0.01 Mb ( 1594) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 126, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./CdHg2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 11.0 secs Computing kpt #: 11 total cpu time spent up to now is 11.6 secs Computing kpt #: 12 total cpu time spent up to now is 12.2 secs Computing kpt #: 13 total cpu time spent up to now is 12.8 secs Computing kpt #: 14 total cpu time spent up to now is 13.3 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.4 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 total cpu time spent up to now is 16.7 secs Computing kpt #: 21 total cpu time spent up to now is 17.2 secs Computing kpt #: 22 total cpu time spent up to now is 17.7 secs Computing kpt #: 23 total cpu time spent up to now is 18.2 secs Computing kpt #: 24 total cpu time spent up to now is 18.7 secs Computing kpt #: 25 total cpu time spent up to now is 19.2 secs Computing kpt #: 26 total cpu time spent up to now is 19.7 secs Computing kpt #: 27 total cpu time spent up to now is 20.3 secs Computing kpt #: 28 total cpu time spent up to now is 20.8 secs Computing kpt #: 29 total cpu time spent up to now is 21.3 secs Computing kpt #: 30 total cpu time spent up to now is 21.9 secs Computing kpt #: 31 total cpu time spent up to now is 22.4 secs Computing kpt #: 32 total cpu time spent up to now is 23.0 secs Computing kpt #: 33 total cpu time spent up to now is 23.7 secs Computing kpt #: 34 total cpu time spent up to now is 24.3 secs Computing kpt #: 35 total cpu time spent up to now is 25.0 secs Computing kpt #: 36 total cpu time spent up to now is 25.7 secs Computing kpt #: 37 total cpu time spent up to now is 26.3 secs Computing kpt #: 38 total cpu time spent up to now is 27.0 secs Computing kpt #: 39 total cpu time spent up to now is 27.8 secs Computing kpt #: 40 total cpu time spent up to now is 28.5 secs Computing kpt #: 41 total cpu time spent up to now is 29.2 secs Computing kpt #: 42 total cpu time spent up to now is 29.9 secs Computing kpt #: 43 total cpu time spent up to now is 30.6 secs Computing kpt #: 44 total cpu time spent up to now is 31.4 secs Computing kpt #: 45 total cpu time spent up to now is 32.1 secs Computing kpt #: 46 total cpu time spent up to now is 32.8 secs Computing kpt #: 47 total cpu time spent up to now is 33.5 secs Computing kpt #: 48 total cpu time spent up to now is 34.2 secs Computing kpt #: 49 total cpu time spent up to now is 35.0 secs Computing kpt #: 50 total cpu time spent up to now is 35.7 secs Computing kpt #: 51 total cpu time spent up to now is 36.4 secs Computing kpt #: 52 total cpu time spent up to now is 37.2 secs Computing kpt #: 53 total cpu time spent up to now is 37.9 secs Computing kpt #: 54 total cpu time spent up to now is 38.7 secs Computing kpt #: 55 total cpu time spent up to now is 39.6 secs Computing kpt #: 56 total cpu time spent up to now is 40.7 secs Computing kpt #: 57 total cpu time spent up to now is 41.8 secs Computing kpt #: 58 total cpu time spent up to now is 42.8 secs Computing kpt #: 59 total cpu time spent up to now is 43.9 secs Computing kpt #: 60 total cpu time spent up to now is 45.0 secs Computing kpt #: 61 total cpu time spent up to now is 46.1 secs Computing kpt #: 62 total cpu time spent up to now is 47.2 secs Computing kpt #: 63 total cpu time spent up to now is 48.3 secs Computing kpt #: 64 total cpu time spent up to now is 49.4 secs Computing kpt #: 65 total cpu time spent up to now is 50.5 secs Computing kpt #: 66 total cpu time spent up to now is 51.6 secs Computing kpt #: 67 total cpu time spent up to now is 52.7 secs Computing kpt #: 68 total cpu time spent up to now is 53.8 secs Computing kpt #: 69 total cpu time spent up to now is 54.9 secs Computing kpt #: 70 total cpu time spent up to now is 56.0 secs Computing kpt #: 71 total cpu time spent up to now is 56.9 secs Computing kpt #: 72 total cpu time spent up to now is 58.0 secs Computing kpt #: 73 total cpu time spent up to now is 58.9 secs Computing kpt #: 74 total cpu time spent up to now is 59.7 secs Computing kpt #: 75 total cpu time spent up to now is 60.5 secs Computing kpt #: 76 total cpu time spent up to now is 61.3 secs Computing kpt #: 77 total cpu time spent up to now is 62.1 secs Computing kpt #: 78 total cpu time spent up to now is 62.9 secs Computing kpt #: 79 total cpu time spent up to now is 63.7 secs Computing kpt #: 80 total cpu time spent up to now is 64.5 secs Computing kpt #: 81 total cpu time spent up to now is 65.2 secs Computing kpt #: 82 total cpu time spent up to now is 66.0 secs Computing kpt #: 83 total cpu time spent up to now is 66.8 secs Computing kpt #: 84 total cpu time spent up to now is 67.5 secs Computing kpt #: 85 total cpu time spent up to now is 68.3 secs Computing kpt #: 86 total cpu time spent up to now is 69.0 secs Computing kpt #: 87 total cpu time spent up to now is 69.8 secs Computing kpt #: 88 total cpu time spent up to now is 70.5 secs Computing kpt #: 89 total cpu time spent up to now is 71.3 secs Computing kpt #: 90 total cpu time spent up to now is 72.0 secs Computing kpt #: 91 total cpu time spent up to now is 72.8 secs Computing kpt #: 92 total cpu time spent up to now is 73.5 secs Computing kpt #: 93 total cpu time spent up to now is 74.3 secs Computing kpt #: 94 total cpu time spent up to now is 75.1 secs Computing kpt #: 95 total cpu time spent up to now is 76.0 secs Computing kpt #: 96 total cpu time spent up to now is 77.0 secs Computing kpt #: 97 total cpu time spent up to now is 77.8 secs Computing kpt #: 98 total cpu time spent up to now is 78.5 secs Computing kpt #: 99 total cpu time spent up to now is 79.1 secs Computing kpt #: 100 total cpu time spent up to now is 79.7 secs Computing kpt #: 101 total cpu time spent up to now is 80.3 secs Computing kpt #: 102 total cpu time spent up to now is 80.9 secs Computing kpt #: 103 total cpu time spent up to now is 81.5 secs Computing kpt #: 104 total cpu time spent up to now is 82.0 secs Computing kpt #: 105 total cpu time spent up to now is 82.6 secs Computing kpt #: 106 total cpu time spent up to now is 83.2 secs Computing kpt #: 107 total cpu time spent up to now is 83.8 secs Computing kpt #: 108 total cpu time spent up to now is 84.4 secs Computing kpt #: 109 total cpu time spent up to now is 85.0 secs Computing kpt #: 110 total cpu time spent up to now is 85.6 secs Computing kpt #: 111 total cpu time spent up to now is 86.2 secs Computing kpt #: 112 total cpu time spent up to now is 86.8 secs Computing kpt #: 113 total cpu time spent up to now is 87.5 secs Computing kpt #: 114 total cpu time spent up to now is 88.1 secs Computing kpt #: 115 total cpu time spent up to now is 88.9 secs Computing kpt #: 116 total cpu time spent up to now is 89.7 secs Computing kpt #: 117 total cpu time spent up to now is 90.7 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.1 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.5 secs Computing kpt #: 120 total cpu time spent up to now is 94.5 secs Computing kpt #: 121 total cpu time spent up to now is 95.5 secs Computing kpt #: 122 total cpu time spent up to now is 96.3 secs Computing kpt #: 123 total cpu time spent up to now is 97.0 secs Computing kpt #: 124 total cpu time spent up to now is 97.6 secs Computing kpt #: 125 total cpu time spent up to now is 98.3 secs Computing kpt #: 126 total cpu time spent up to now is 98.9 secs Computing kpt #: 127 total cpu time spent up to now is 99.5 secs Computing kpt #: 128 total cpu time spent up to now is 100.1 secs Computing kpt #: 129 total cpu time spent up to now is 100.7 secs Computing kpt #: 130 total cpu time spent up to now is 101.3 secs Computing kpt #: 131 total cpu time spent up to now is 101.9 secs Computing kpt #: 132 total cpu time spent up to now is 102.5 secs Computing kpt #: 133 total cpu time spent up to now is 103.1 secs Computing kpt #: 134 total cpu time spent up to now is 103.7 secs Computing kpt #: 135 total cpu time spent up to now is 104.5 secs Computing kpt #: 136 total cpu time spent up to now is 105.3 secs Computing kpt #: 137 total cpu time spent up to now is 105.9 secs Computing kpt #: 138 total cpu time spent up to now is 106.5 secs Computing kpt #: 139 total cpu time spent up to now is 107.1 secs Computing kpt #: 140 total cpu time spent up to now is 107.7 secs Computing kpt #: 141 total cpu time spent up to now is 108.3 secs Computing kpt #: 142 total cpu time spent up to now is 108.9 secs Computing kpt #: 143 total cpu time spent up to now is 109.6 secs Computing kpt #: 144 total cpu time spent up to now is 110.2 secs Computing kpt #: 145 total cpu time spent up to now is 110.8 secs Computing kpt #: 146 total cpu time spent up to now is 111.4 secs Computing kpt #: 147 total cpu time spent up to now is 112.0 secs Computing kpt #: 148 total cpu time spent up to now is 112.7 secs Computing kpt #: 149 total cpu time spent up to now is 113.3 secs Computing kpt #: 150 total cpu time spent up to now is 114.0 secs Computing kpt #: 151 total cpu time spent up to now is 114.7 secs Computing kpt #: 152 total cpu time spent up to now is 115.4 secs Computing kpt #: 153 total cpu time spent up to now is 116.1 secs Computing kpt #: 154 total cpu time spent up to now is 116.9 secs Computing kpt #: 155 total cpu time spent up to now is 117.7 secs Computing kpt #: 156 total cpu time spent up to now is 118.5 secs Computing kpt #: 157 total cpu time spent up to now is 119.2 secs Computing kpt #: 158 total cpu time spent up to now is 119.9 secs Computing kpt #: 159 total cpu time spent up to now is 120.5 secs Computing kpt #: 160 total cpu time spent up to now is 121.1 secs Computing kpt #: 161 total cpu time spent up to now is 121.7 secs Computing kpt #: 162 total cpu time spent up to now is 122.4 secs Computing kpt #: 163 total cpu time spent up to now is 123.0 secs Computing kpt #: 164 total cpu time spent up to now is 123.6 secs Computing kpt #: 165 total cpu time spent up to now is 124.2 secs Computing kpt #: 166 total cpu time spent up to now is 124.8 secs Computing kpt #: 167 total cpu time spent up to now is 125.4 secs Computing kpt #: 168 total cpu time spent up to now is 126.0 secs Computing kpt #: 169 total cpu time spent up to now is 126.6 secs Computing kpt #: 170 total cpu time spent up to now is 127.2 secs Computing kpt #: 171 total cpu time spent up to now is 127.8 secs Computing kpt #: 172 total cpu time spent up to now is 128.5 secs Computing kpt #: 173 total cpu time spent up to now is 129.1 secs Computing kpt #: 174 total cpu time spent up to now is 129.8 secs Computing kpt #: 175 total cpu time spent up to now is 130.4 secs Computing kpt #: 176 total cpu time spent up to now is 131.2 secs Computing kpt #: 177 total cpu time spent up to now is 132.1 secs Computing kpt #: 178 total cpu time spent up to now is 133.1 secs Computing kpt #: 179 total cpu time spent up to now is 133.9 secs Computing kpt #: 180 total cpu time spent up to now is 134.7 secs Computing kpt #: 181 total cpu time spent up to now is 135.4 secs Computing kpt #: 182 total cpu time spent up to now is 136.1 secs Computing kpt #: 183 total cpu time spent up to now is 136.7 secs Computing kpt #: 184 total cpu time spent up to now is 137.3 secs Computing kpt #: 185 total cpu time spent up to now is 137.9 secs Computing kpt #: 186 total cpu time spent up to now is 138.5 secs Computing kpt #: 187 total cpu time spent up to now is 139.1 secs Computing kpt #: 188 total cpu time spent up to now is 139.7 secs Computing kpt #: 189 total cpu time spent up to now is 140.3 secs Computing kpt #: 190 total cpu time spent up to now is 140.9 secs Computing kpt #: 191 total cpu time spent up to now is 141.6 secs Computing kpt #: 192 total cpu time spent up to now is 142.1 secs Computing kpt #: 193 total cpu time spent up to now is 142.7 secs Computing kpt #: 194 total cpu time spent up to now is 143.4 secs Computing kpt #: 195 total cpu time spent up to now is 144.0 secs Computing kpt #: 196 total cpu time spent up to now is 144.7 secs Computing kpt #: 197 total cpu time spent up to now is 145.3 secs Computing kpt #: 198 total cpu time spent up to now is 146.0 secs Computing kpt #: 199 total cpu time spent up to now is 146.6 secs Computing kpt #: 200 total cpu time spent up to now is 147.3 secs Computing kpt #: 201 total cpu time spent up to now is 148.0 secs Computing kpt #: 202 total cpu time spent up to now is 148.7 secs Computing kpt #: 203 total cpu time spent up to now is 149.4 secs Computing kpt #: 204 total cpu time spent up to now is 150.2 secs Computing kpt #: 205 total cpu time spent up to now is 151.0 secs Computing kpt #: 206 total cpu time spent up to now is 151.8 secs Computing kpt #: 207 total cpu time spent up to now is 152.6 secs Computing kpt #: 208 total cpu time spent up to now is 153.3 secs Computing kpt #: 209 total cpu time spent up to now is 153.9 secs Computing kpt #: 210 total cpu time spent up to now is 154.5 secs Computing kpt #: 211 total cpu time spent up to now is 155.1 secs Computing kpt #: 212 total cpu time spent up to now is 155.7 secs Computing kpt #: 213 total cpu time spent up to now is 156.3 secs Computing kpt #: 214 total cpu time spent up to now is 156.9 secs Computing kpt #: 215 total cpu time spent up to now is 157.5 secs Computing kpt #: 216 total cpu time spent up to now is 158.1 secs Computing kpt #: 217 total cpu time spent up to now is 158.6 secs Computing kpt #: 218 total cpu time spent up to now is 159.2 secs Computing kpt #: 219 total cpu time spent up to now is 159.8 secs Computing kpt #: 220 total cpu time spent up to now is 160.4 secs Computing kpt #: 221 total cpu time spent up to now is 161.0 secs Computing kpt #: 222 total cpu time spent up to now is 161.6 secs Computing kpt #: 223 total cpu time spent up to now is 162.1 secs Computing kpt #: 224 total cpu time spent up to now is 162.7 secs Computing kpt #: 225 total cpu time spent up to now is 163.3 secs Computing kpt #: 226 total cpu time spent up to now is 163.9 secs Computing kpt #: 227 total cpu time spent up to now is 164.5 secs Computing kpt #: 228 total cpu time spent up to now is 165.1 secs Computing kpt #: 229 total cpu time spent up to now is 165.6 secs Computing kpt #: 230 total cpu time spent up to now is 166.2 secs Computing kpt #: 231 total cpu time spent up to now is 166.8 secs Computing kpt #: 232 total cpu time spent up to now is 167.4 secs Computing kpt #: 233 total cpu time spent up to now is 168.0 secs Computing kpt #: 234 total cpu time spent up to now is 168.6 secs Computing kpt #: 235 total cpu time spent up to now is 169.3 secs Computing kpt #: 236 total cpu time spent up to now is 169.9 secs Computing kpt #: 237 total cpu time spent up to now is 170.5 secs Computing kpt #: 238 total cpu time spent up to now is 171.1 secs Computing kpt #: 239 total cpu time spent up to now is 171.7 secs Computing kpt #: 240 total cpu time spent up to now is 172.3 secs Computing kpt #: 241 total cpu time spent up to now is 172.9 secs Computing kpt #: 242 total cpu time spent up to now is 173.6 secs Computing kpt #: 243 total cpu time spent up to now is 174.2 secs Computing kpt #: 244 total cpu time spent up to now is 174.9 secs Computing kpt #: 245 total cpu time spent up to now is 175.7 secs Computing kpt #: 246 total cpu time spent up to now is 176.4 secs Computing kpt #: 247 total cpu time spent up to now is 177.0 secs Computing kpt #: 248 total cpu time spent up to now is 177.6 secs Computing kpt #: 249 total cpu time spent up to now is 178.3 secs Computing kpt #: 250 total cpu time spent up to now is 179.1 secs Computing kpt #: 251 total cpu time spent up to now is 179.9 secs Computing kpt #: 252 total cpu time spent up to now is 180.6 secs Computing kpt #: 253 total cpu time spent up to now is 181.4 secs Computing kpt #: 254 total cpu time spent up to now is 182.2 secs Computing kpt #: 255 total cpu time spent up to now is 183.0 secs Computing kpt #: 256 total cpu time spent up to now is 183.7 secs Computing kpt #: 257 total cpu time spent up to now is 184.3 secs Computing kpt #: 258 total cpu time spent up to now is 184.9 secs Computing kpt #: 259 total cpu time spent up to now is 185.5 secs Computing kpt #: 260 total cpu time spent up to now is 186.1 secs Computing kpt #: 261 total cpu time spent up to now is 186.6 secs Computing kpt #: 262 total cpu time spent up to now is 187.2 secs Computing kpt #: 263 total cpu time spent up to now is 187.8 secs Computing kpt #: 264 total cpu time spent up to now is 188.4 secs Computing kpt #: 265 total cpu time spent up to now is 189.0 secs Computing kpt #: 266 total cpu time spent up to now is 189.6 secs Computing kpt #: 267 total cpu time spent up to now is 190.2 secs Computing kpt #: 268 total cpu time spent up to now is 190.8 secs Computing kpt #: 269 total cpu time spent up to now is 191.4 secs Computing kpt #: 270 total cpu time spent up to now is 192.0 secs Computing kpt #: 271 total cpu time spent up to now is 192.6 secs Computing kpt #: 272 total cpu time spent up to now is 193.2 secs Computing kpt #: 273 total cpu time spent up to now is 193.8 secs Computing kpt #: 274 total cpu time spent up to now is 194.4 secs Computing kpt #: 275 total cpu time spent up to now is 195.0 secs Computing kpt #: 276 total cpu time spent up to now is 195.6 secs Computing kpt #: 277 total cpu time spent up to now is 196.2 secs Computing kpt #: 278 total cpu time spent up to now is 196.8 secs Computing kpt #: 279 total cpu time spent up to now is 197.4 secs Computing kpt #: 280 total cpu time spent up to now is 198.0 secs Computing kpt #: 281 total cpu time spent up to now is 198.6 secs Computing kpt #: 282 total cpu time spent up to now is 199.2 secs Computing kpt #: 283 total cpu time spent up to now is 199.8 secs Computing kpt #: 284 total cpu time spent up to now is 200.4 secs Computing kpt #: 285 total cpu time spent up to now is 201.0 secs Computing kpt #: 286 total cpu time spent up to now is 201.6 secs Computing kpt #: 287 total cpu time spent up to now is 202.2 secs Computing kpt #: 288 total cpu time spent up to now is 202.8 secs Computing kpt #: 289 total cpu time spent up to now is 203.4 secs Computing kpt #: 290 total cpu time spent up to now is 204.0 secs Computing kpt #: 291 total cpu time spent up to now is 204.6 secs Computing kpt #: 292 total cpu time spent up to now is 205.2 secs Computing kpt #: 293 total cpu time spent up to now is 205.8 secs Computing kpt #: 294 total cpu time spent up to now is 206.4 secs Computing kpt #: 295 total cpu time spent up to now is 206.9 secs Computing kpt #: 296 total cpu time spent up to now is 207.5 secs Computing kpt #: 297 total cpu time spent up to now is 208.0 secs Computing kpt #: 298 total cpu time spent up to now is 208.5 secs Computing kpt #: 299 total cpu time spent up to now is 209.0 secs Computing kpt #: 300 total cpu time spent up to now is 209.5 secs Computing kpt #: 301 total cpu time spent up to now is 210.0 secs Computing kpt #: 302 total cpu time spent up to now is 210.5 secs Computing kpt #: 303 total cpu time spent up to now is 211.0 secs Computing kpt #: 304 total cpu time spent up to now is 211.5 secs Computing kpt #: 305 total cpu time spent up to now is 212.0 secs Computing kpt #: 306 total cpu time spent up to now is 212.5 secs Computing kpt #: 307 total cpu time spent up to now is 213.1 secs Computing kpt #: 308 total cpu time spent up to now is 213.7 secs Computing kpt #: 309 total cpu time spent up to now is 214.3 secs Computing kpt #: 310 total cpu time spent up to now is 215.0 secs Computing kpt #: 311 total cpu time spent up to now is 216.1 secs Computing kpt #: 312 total cpu time spent up to now is 217.1 secs Computing kpt #: 313 total cpu time spent up to now is 218.1 secs Computing kpt #: 314 total cpu time spent up to now is 219.0 secs Computing kpt #: 315 total cpu time spent up to now is 219.8 secs Computing kpt #: 316 total cpu time spent up to now is 220.7 secs Computing kpt #: 317 total cpu time spent up to now is 221.6 secs Computing kpt #: 318 total cpu time spent up to now is 222.6 secs Computing kpt #: 319 total cpu time spent up to now is 223.4 secs Computing kpt #: 320 total cpu time spent up to now is 224.2 secs Computing kpt #: 321 total cpu time spent up to now is 225.0 secs Computing kpt #: 322 total cpu time spent up to now is 225.8 secs Computing kpt #: 323 total cpu time spent up to now is 226.6 secs Computing kpt #: 324 total cpu time spent up to now is 227.4 secs Computing kpt #: 325 total cpu time spent up to now is 228.2 secs Computing kpt #: 326 total cpu time spent up to now is 228.9 secs Computing kpt #: 327 total cpu time spent up to now is 229.8 secs Computing kpt #: 328 total cpu time spent up to now is 230.6 secs Computing kpt #: 329 total cpu time spent up to now is 231.5 secs Computing kpt #: 330 total cpu time spent up to now is 232.7 secs Computing kpt #: 331 total cpu time spent up to now is 233.8 secs Computing kpt #: 332 total cpu time spent up to now is 234.6 secs Computing kpt #: 333 total cpu time spent up to now is 235.2 secs Computing kpt #: 334 total cpu time spent up to now is 235.8 secs Computing kpt #: 335 total cpu time spent up to now is 236.4 secs Computing kpt #: 336 total cpu time spent up to now is 237.0 secs Computing kpt #: 337 total cpu time spent up to now is 237.7 secs Computing kpt #: 338 total cpu time spent up to now is 238.3 secs Computing kpt #: 339 total cpu time spent up to now is 238.9 secs Computing kpt #: 340 total cpu time spent up to now is 239.6 secs Computing kpt #: 341 total cpu time spent up to now is 240.4 secs Computing kpt #: 342 total cpu time spent up to now is 241.2 secs Computing kpt #: 343 total cpu time spent up to now is 242.0 secs Computing kpt #: 344 total cpu time spent up to now is 242.8 secs Computing kpt #: 345 total cpu time spent up to now is 243.6 secs Computing kpt #: 346 total cpu time spent up to now is 244.3 secs Computing kpt #: 347 total cpu time spent up to now is 245.0 secs Computing kpt #: 348 total cpu time spent up to now is 245.7 secs Computing kpt #: 349 total cpu time spent up to now is 246.4 secs Computing kpt #: 350 total cpu time spent up to now is 247.1 secs Computing kpt #: 351 total cpu time spent up to now is 247.7 secs Computing kpt #: 352 total cpu time spent up to now is 248.4 secs Computing kpt #: 353 total cpu time spent up to now is 249.1 secs Computing kpt #: 354 total cpu time spent up to now is 249.7 secs Computing kpt #: 355 total cpu time spent up to now is 250.4 secs Computing kpt #: 356 total cpu time spent up to now is 251.0 secs Computing kpt #: 357 total cpu time spent up to now is 251.5 secs Computing kpt #: 358 total cpu time spent up to now is 252.6 secs Computing kpt #: 359 total cpu time spent up to now is 253.2 secs Computing kpt #: 360 total cpu time spent up to now is 253.8 secs Computing kpt #: 361 total cpu time spent up to now is 254.3 secs Computing kpt #: 362 total cpu time spent up to now is 254.8 secs Computing kpt #: 363 total cpu time spent up to now is 255.3 secs Computing kpt #: 364 total cpu time spent up to now is 255.8 secs Computing kpt #: 365 total cpu time spent up to now is 256.3 secs Computing kpt #: 366 total cpu time spent up to now is 256.8 secs Computing kpt #: 367 total cpu time spent up to now is 257.3 secs Computing kpt #: 368 total cpu time spent up to now is 257.8 secs Computing kpt #: 369 total cpu time spent up to now is 258.3 secs Computing kpt #: 370 total cpu time spent up to now is 258.8 secs Computing kpt #: 371 total cpu time spent up to now is 259.3 secs Computing kpt #: 372 total cpu time spent up to now is 259.8 secs Computing kpt #: 373 total cpu time spent up to now is 260.4 secs Computing kpt #: 374 total cpu time spent up to now is 261.0 secs Computing kpt #: 375 total cpu time spent up to now is 261.5 secs Computing kpt #: 376 total cpu time spent up to now is 262.2 secs Computing kpt #: 377 total cpu time spent up to now is 262.8 secs ethr = 2.78E-08, avg # of iterations = 35.9 total cpu time spent up to now is 262.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2137 PWs) bands (ev): 2.5447 2.5447 2.7382 2.7382 2.8581 2.8581 3.1415 3.1415 3.3623 3.3623 3.4834 3.4834 3.7413 3.7413 3.7571 3.7571 3.7848 3.7848 4.1774 4.1774 5.3372 5.3372 5.3841 5.3841 5.4254 5.4254 5.6442 5.6442 5.9561 5.9561 6.1202 6.1202 12.8671 12.8671 13.2855 13.2855 15.4001 15.4001 15.6218 15.6218 16.5836 16.5836 16.6461 16.6461 k = 0.0000 0.0000 0.0161 ( 2145 PWs) bands (ev): 2.5453 2.5453 2.7381 2.7381 2.8586 2.8586 3.1416 3.1416 3.3621 3.3621 3.4825 3.4825 3.7405 3.7405 3.7576 3.7576 3.7861 3.7861 4.1771 4.1771 5.3359 5.3359 5.3843 5.3843 5.4270 5.4270 5.6447 5.6447 5.9560 5.9560 6.1206 6.1206 12.8674 12.8674 13.2872 13.2872 15.3697 15.3697 15.6106 15.6106 16.5521 16.5521 16.6872 16.6872 k = 0.0000 0.0000 0.0321 ( 2153 PWs) bands (ev): 2.5474 2.5474 2.7383 2.7383 2.8602 2.8602 3.1422 3.1422 3.3617 3.3617 3.4797 3.4797 3.7381 3.7381 3.7590 3.7590 3.7899 3.7899 4.1761 4.1761 5.3321 5.3321 5.3852 5.3852 5.4315 5.4315 5.6461 5.6461 5.9557 5.9557 6.1216 6.1216 12.8682 12.8682 13.2923 13.2923 15.2911 15.2911 15.5695 15.5695 16.5195 16.5195 16.7393 16.7393 k = 0.0000 0.0000 0.0482 ( 2149 PWs) bands (ev): 2.5507 2.5507 2.7386 2.7386 2.8629 2.8629 3.1433 3.1433 3.3610 3.3610 3.4753 3.4753 3.7346 3.7346 3.7614 3.7614 3.7956 3.7956 4.1747 4.1747 5.3266 5.3266 5.3866 5.3866 5.4381 5.4381 5.6484 5.6484 5.9552 5.9552 6.1233 6.1233 12.8694 12.8694 13.3008 13.3008 15.1839 15.1839 15.4928 15.4928 16.4999 16.4999 16.7665 16.7665 k = 0.0000 0.0000 0.0643 ( 2153 PWs) bands (ev): 2.5551 2.5551 2.7390 2.7390 2.8667 2.8667 3.1447 3.1447 3.3602 3.3602 3.4696 3.4696 3.7303 3.7303 3.7647 3.7647 3.8026 3.8026 4.1727 4.1727 5.3200 5.3200 5.3886 5.3886 5.4461 5.4461 5.6516 5.6516 5.9545 5.9545 6.1256 6.1256 12.8706 12.8706 13.3127 13.3127 15.0616 15.0616 15.3866 15.3866 16.4825 16.4825 16.7612 16.7612 k = 0.0000 0.0000 0.0803 ( 2153 PWs) bands (ev): 2.5604 2.5604 2.7397 2.7397 2.8717 2.8717 3.1468 3.1468 3.3591 3.3591 3.4627 3.4627 3.7256 3.7256 3.7687 3.7687 3.8107 3.8107 4.1703 4.1703 5.3131 5.3131 5.3911 5.3911 5.4547 5.4547 5.6558 5.6558 5.9536 5.9536 6.1285 6.1285 12.8713 12.8713 13.3278 13.3278 14.9320 14.9320 15.2605 15.2605 16.4578 16.4578 16.7276 16.7276 k = 0.0000 0.0000 0.0964 ( 2153 PWs) bands (ev): 2.5664 2.5664 2.7405 2.7405 2.8779 2.8779 3.1494 3.1494 3.3580 3.3580 3.4550 3.4550 3.7206 3.7206 3.7732 3.7732 3.8196 3.8196 4.1678 4.1678 5.3060 5.3060 5.3941 5.3941 5.4637 5.4637 5.6610 5.6610 5.9524 5.9524 6.1319 6.1319 12.8709 12.8709 13.3461 13.3461 14.8003 14.8003 15.1227 15.1227 16.4212 16.4212 16.6730 16.6730 k = 0.0000 0.0000 0.1125 ( 2157 PWs) bands (ev): 2.5726 2.5726 2.7415 2.7415 2.8852 2.8852 3.1526 3.1526 3.3569 3.3569 3.4470 3.4470 3.7153 3.7153 3.7781 3.7781 3.8290 3.8290 4.1651 4.1651 5.2991 5.2991 5.3976 5.3976 5.4726 5.4726 5.6671 5.6671 5.9512 5.9512 6.1359 6.1359 12.8684 12.8684 13.3674 13.3674 14.6699 14.6699 14.9788 14.9788 16.3722 16.3722 16.6032 16.6032 k = 0.0000 0.0000 0.1286 ( 2157 PWs) bands (ev): 2.5788 2.5788 2.7427 2.7427 2.8938 2.8938 3.1567 3.1567 3.3559 3.3559 3.4388 3.4388 3.7099 3.7099 3.7833 3.7833 3.8388 3.8388 4.1625 4.1625 5.2926 5.2926 5.4013 5.4013 5.4812 5.4812 5.6740 5.6740 5.9497 5.9497 6.1404 6.1404 12.8628 12.8628 13.3916 13.3916 14.5435 14.5435 14.8328 14.8328 16.3122 16.3122 16.5226 16.5226 k = 0.0000 0.0000 0.1446 ( 2153 PWs) bands (ev): 2.5847 2.5847 2.7441 2.7441 2.9034 2.9034 3.1617 3.1617 3.3552 3.3552 3.4311 3.4311 3.7045 3.7045 3.7887 3.7887 3.8487 3.8487 4.1601 4.1601 5.2867 5.2867 5.4054 5.4054 5.4893 5.4893 5.6818 5.6818 5.9481 5.9481 6.1452 6.1452 12.8524 12.8524 13.4183 13.4183 14.4230 14.4230 14.6879 14.6879 16.2428 16.2428 16.4340 16.4340 k = 0.0000 0.0000 0.1607 ( 2157 PWs) bands (ev): 2.5900 2.5900 2.7457 2.7457 2.9136 2.9136 3.1676 3.1676 3.3546 3.3546 3.4242 3.4242 3.6992 3.6992 3.7943 3.7943 3.8585 3.8585 4.1580 4.1580 5.2813 5.2813 5.4096 5.4096 5.4970 5.4970 5.6903 5.6903 5.9463 5.9463 6.1504 6.1504 12.8358 12.8358 13.4469 13.4469 14.3094 14.3094 14.5476 14.5476 16.1658 16.1658 16.3396 16.3396 k = 0.0000 0.0000 0.1768 ( 2159 PWs) bands (ev): 2.5946 2.5946 2.7473 2.7473 2.9240 2.9240 3.1748 3.1748 3.3543 3.3543 3.4188 3.4188 3.6942 3.6942 3.8000 3.8000 3.8681 3.8681 4.1565 4.1565 5.2766 5.2766 5.4141 5.4141 5.5040 5.5040 5.6993 5.6993 5.9444 5.9444 6.1559 6.1559 12.8111 12.8111 13.4767 13.4767 14.2023 14.2023 14.4166 14.4166 16.0825 16.0825 16.2409 16.2409 k = 0.0000 0.0000 0.1928 ( 2159 PWs) bands (ev): 2.5983 2.5983 2.7491 2.7491 2.9341 2.9341 3.1831 3.1831 3.3540 3.3540 3.4156 3.4156 3.6898 3.6898 3.8058 3.8058 3.8772 3.8772 4.1556 4.1556 5.2726 5.2726 5.4187 5.4187 5.5104 5.5104 5.7088 5.7088 5.9424 5.9424 6.1616 6.1616 12.7767 12.7767 13.5057 13.5057 14.0991 14.0991 14.3020 14.3020 15.9943 15.9943 16.1392 16.1392 k = 0.0000 0.0000 0.2089 ( 2159 PWs) bands (ev): 2.6010 2.6010 2.7510 2.7510 2.9433 2.9433 3.1925 3.1925 3.3532 3.3532 3.4158 3.4158 3.6863 3.6863 3.8116 3.8116 3.8859 3.8859 4.1556 4.1556 5.2693 5.2693 5.4233 5.4233 5.5162 5.5162 5.7186 5.7186 5.9403 5.9403 6.1674 6.1674 12.7313 12.7313 13.5303 13.5303 13.9975 13.9975 14.2122 14.2122 15.9022 15.9022 16.0353 16.0353 k = 0.0000 0.0000 0.2250 ( 2163 PWs) bands (ev): 2.6027 2.6027 2.7528 2.7528 2.9511 2.9511 3.2025 3.2025 3.3516 3.3516 3.4201 3.4201 3.6845 3.6845 3.8175 3.8175 3.8938 3.8938 4.1565 4.1565 5.2668 5.2668 5.4281 5.4281 5.5214 5.5214 5.7284 5.7284 5.9381 5.9381 6.1733 6.1733 12.6747 12.6747 13.5412 13.5412 13.9039 13.9039 14.1507 14.1507 15.8072 15.8072 15.9302 15.9302 k = 0.0000 0.0000 0.2410 ( 2159 PWs) bands (ev): 2.6036 2.6036 2.7546 2.7546 2.9570 2.9570 3.2128 3.2128 3.3491 3.3491 3.4289 3.4289 3.6852 3.6852 3.8235 3.8235 3.9010 3.9010 4.1583 4.1583 5.2651 5.2651 5.4329 5.4329 5.5260 5.5260 5.7381 5.7381 5.9359 5.9359 6.1792 6.1792 12.6072 12.6072 13.5191 13.5191 13.8398 13.8398 14.1153 14.1153 15.7103 15.7103 15.8243 15.8243 k = 0.0000 0.0000 0.2571 ( 2159 PWs) bands (ev): 2.6036 2.6036 2.7564 2.7564 2.9609 2.9609 3.2227 3.2227 3.3458 3.3458 3.4414 3.4414 3.6896 3.6896 3.8295 3.8295 3.9074 3.9074 4.1611 4.1611 5.2641 5.2641 5.4378 5.4378 5.5301 5.5301 5.7475 5.7475 5.9338 5.9338 6.1850 6.1850 12.5302 12.5302 13.4496 13.4496 13.8229 13.8229 14.1018 14.1018 15.6121 15.6121 15.7182 15.7182 k = 0.0000 0.0000 0.2732 ( 2159 PWs) bands (ev): 2.6029 2.6029 2.7580 2.7580 2.9627 2.9627 3.2319 3.2319 3.3423 3.3423 3.4560 3.4560 3.6993 3.6993 3.8357 3.8357 3.9128 3.9128 4.1649 4.1649 5.2638 5.2638 5.4427 5.4427 5.5336 5.5336 5.7564 5.7564 5.9317 5.9317 6.1907 6.1907 12.4454 12.4454 13.3469 13.3469 13.8409 13.8409 14.1065 14.1065 15.5134 15.5134 15.6124 15.6124 k = 0.0000 0.0000 0.2893 ( 2163 PWs) bands (ev): 2.6015 2.6015 2.7595 2.7595 2.9627 2.9627 3.2401 3.2401 3.3388 3.3388 3.4705 3.4705 3.7161 3.7161 3.8422 3.8422 3.9174 3.9174 4.1696 4.1696 5.2643 5.2643 5.4477 5.4477 5.5367 5.5367 5.7647 5.7647 5.9298 5.9298 6.1961 6.1961 12.3548 12.3548 13.2301 13.2301 13.8758 13.8758 14.1264 14.1264 15.4151 15.4151 15.5072 15.5072 k = 0.0000 0.0000 0.3053 ( 2159 PWs) bands (ev): 2.5995 2.5995 2.7609 2.7609 2.9611 2.9611 3.2473 3.2473 3.3356 3.3356 3.4827 3.4827 3.7412 3.7412 3.8497 3.8497 3.9212 3.9212 4.1751 4.1751 5.2655 5.2655 5.4528 5.4528 5.5393 5.5393 5.7720 5.7720 5.9282 5.9282 6.2012 6.2012 12.2603 12.2603 13.1084 13.1084 13.9188 13.9188 14.1588 14.1588 15.3179 15.3179 15.4030 15.4030 k = 0.0000 0.0000 0.3214 ( 2153 PWs) bands (ev): 2.5971 2.5971 2.7621 2.7621 2.9581 2.9581 3.2536 3.2536 3.3329 3.3329 3.4916 3.4916 3.7734 3.7734 3.8596 3.8596 3.9244 3.9244 4.1813 4.1813 5.2674 5.2674 5.4579 5.4579 5.5414 5.5414 5.7784 5.7784 5.9270 5.9270 6.2061 6.2061 12.1633 12.1633 12.9860 12.9860 13.9658 13.9658 14.2017 14.2017 15.2229 15.2229 15.3002 15.3002 k = 0.0000 0.0000 0.3375 ( 2155 PWs) bands (ev): 2.5942 2.5942 2.7632 2.7632 2.9541 2.9541 3.2589 3.2589 3.3308 3.3308 3.4968 3.4968 3.8070 3.8070 3.8766 3.8766 3.9276 3.9276 4.1882 4.1882 5.2700 5.2700 5.4632 5.4632 5.5430 5.5430 5.7836 5.7836 5.9264 5.9264 6.2105 6.2105 12.0654 12.0654 12.8646 12.8646 14.0146 14.0146 14.2529 14.2529 15.1312 15.1312 15.1990 15.1990 k = 0.0000 0.0000 0.3535 ( 2163 PWs) bands (ev): 2.5910 2.5910 2.7640 2.7640 2.9493 2.9493 3.2632 3.2632 3.3296 3.3296 3.4993 3.4993 3.8312 3.8312 3.9060 3.9060 3.9350 3.9350 4.1955 4.1955 5.2731 5.2731 5.4686 5.4686 5.5441 5.5441 5.7877 5.7877 5.9264 5.9264 6.2145 6.2145 11.9674 11.9674 12.7453 12.7453 14.0631 14.0631 14.3108 14.3108 15.0446 15.0446 15.1003 15.1003 k = 0.0000 0.0000 0.3696 ( 2163 PWs) bands (ev): 2.5875 2.5875 2.7647 2.7647 2.9440 2.9440 3.2667 3.2667 3.3295 3.3295 3.4998 3.4998 3.8441 3.8441 3.9217 3.9217 3.9734 3.9734 4.2034 4.2034 5.2768 5.2768 5.4742 5.4742 5.5447 5.5447 5.7905 5.7905 5.9272 5.9272 6.2181 6.2181 11.8704 11.8704 12.6287 12.6287 14.1086 14.1086 14.3738 14.3738 14.9648 14.9648 15.0054 15.0054 k = 0.0000 0.0000 0.3857 ( 2167 PWs) bands (ev): 2.5838 2.5838 2.7653 2.7653 2.9384 2.9384 3.2691 3.2691 3.3307 3.3307 3.4991 3.4991 3.8517 3.8517 3.9238 3.9238 4.0348 4.0348 4.2120 4.2120 5.2811 5.2811 5.4799 5.4799 5.5447 5.5447 5.7922 5.7922 5.9289 5.9289 6.2212 6.2212 11.7750 11.7750 12.5151 12.5151 14.1470 14.1470 14.4395 14.4395 14.8908 14.8908 14.9211 14.9211 k = 0.0000 0.0000 0.4017 ( 2167 PWs) bands (ev): 2.5799 2.5799 2.7657 2.7657 2.9327 2.9327 3.2706 3.2706 3.3331 3.3331 3.4977 3.4977 3.8570 3.8570 3.9238 3.9238 4.1027 4.1027 4.2225 4.2225 5.2858 5.2858 5.4859 5.4859 5.5442 5.5442 5.7928 5.7928 5.9316 5.9316 6.2238 6.2238 11.6816 11.6816 12.4047 12.4047 14.1727 14.1727 14.5043 14.5043 14.8128 14.8128 14.8658 14.8658 k = 0.0000 0.0000 0.4178 ( 2171 PWs) bands (ev): 2.5759 2.5759 2.7659 2.7659 2.9270 2.9270 3.2712 3.2712 3.3368 3.3368 3.4962 3.4962 3.8612 3.8612 3.9229 3.9229 4.1676 4.1676 4.2410 4.2410 5.2909 5.2909 5.4920 5.4920 5.5430 5.5430 5.7926 5.7926 5.9353 5.9353 6.2259 6.2259 11.5908 11.5908 12.2978 12.2978 14.1790 14.1790 14.5561 14.5561 14.7448 14.7448 14.8437 14.8437 k = 0.0000 0.0000 0.4339 ( 2183 PWs) bands (ev): 2.5718 2.5718 2.7659 2.7659 2.9216 2.9216 3.2711 3.2711 3.3415 3.3415 3.4948 3.4948 3.8646 3.8646 3.9214 3.9214 4.2065 4.2065 4.2889 4.2889 5.2964 5.2964 5.4981 5.4981 5.5415 5.5415 5.7919 5.7919 5.9404 5.9404 6.2275 6.2275 11.5028 11.5028 12.1943 12.1943 14.1619 14.1619 14.5546 14.5546 14.7310 14.7310 14.8538 14.8538 k = 0.0000 0.0000 0.4500 ( 2191 PWs) bands (ev): 2.5676 2.5676 2.7658 2.7658 2.9164 2.9164 3.2705 3.2705 3.3471 3.3471 3.4938 3.4938 3.8674 3.8674 3.9193 3.9193 4.2209 4.2209 4.3636 4.3636 5.3021 5.3021 5.5039 5.5039 5.5400 5.5400 5.7908 5.7908 5.9468 5.9468 6.2286 6.2286 11.4180 11.4180 12.0944 12.0944 14.1232 14.1232 14.4938 14.4938 14.7782 14.7782 14.8931 14.8931 k = 0.0000 0.0000 0.4660 ( 2191 PWs) bands (ev): 2.5635 2.5635 2.7656 2.7656 2.9118 2.9118 3.2697 3.2697 3.3535 3.3535 3.4933 3.4933 3.8696 3.8696 3.9168 3.9168 4.2286 4.2286 4.4464 4.4464 5.3079 5.3079 5.5081 5.5081 5.5396 5.5396 5.7897 5.7897 5.9551 5.9551 6.2293 6.2293 11.3364 11.3364 11.9982 11.9982 14.0682 14.0682 14.4164 14.4164 14.8449 14.8449 14.9533 14.9533 k = 0.0000 0.0000 0.4821 ( 2191 PWs) bands (ev): 2.5594 2.5594 2.7653 2.7653 2.9076 2.9076 3.2687 3.2687 3.3604 3.3604 3.4934 3.4934 3.8713 3.8713 3.9139 3.9139 4.2338 4.2338 4.5319 4.5319 5.3137 5.3137 5.5090 5.5090 5.5425 5.5425 5.7888 5.7888 5.9655 5.9655 6.2297 6.2297 11.2582 11.2582 11.9056 11.9056 14.0028 14.0028 14.3362 14.3362 14.9176 14.9176 15.0247 15.0247 k = 0.0000 0.0000 0.4982 ( 2187 PWs) bands (ev): 2.5554 2.5554 2.7651 2.7651 2.9039 2.9039 3.2678 3.2678 3.3679 3.3679 3.4942 3.4942 3.8726 3.8726 3.9107 3.9107 4.2373 4.2373 4.6181 4.6181 5.3194 5.3194 5.5058 5.5058 5.5493 5.5493 5.7883 5.7883 5.9788 5.9788 6.2297 6.2297 11.1835 11.1835 11.8166 11.8166 13.9314 13.9314 14.2564 14.2564 14.9891 14.9891 15.0989 15.0989 k = 0.0000 0.0000 0.5142 ( 2183 PWs) bands (ev): 2.5515 2.5515 2.7647 2.7647 2.9009 2.9009 3.2670 3.2670 3.3757 3.3757 3.4957 3.4957 3.8733 3.8733 3.9071 3.9071 4.2395 4.2395 4.7035 4.7035 5.3247 5.3247 5.4995 5.4995 5.5595 5.5595 5.7883 5.7883 5.9957 5.9957 6.2296 6.2296 11.1124 11.1124 11.7312 11.7312 13.8568 13.8568 14.1780 14.1780 15.0387 15.0387 15.1710 15.1710 k = 0.0000 0.0000 0.5303 ( 2183 PWs) bands (ev): 2.5476 2.5476 2.7642 2.7642 2.8984 2.8984 3.2663 3.2663 3.3837 3.3837 3.4979 3.4979 3.8734 3.8734 3.9032 3.9032 4.2404 4.2404 4.7866 4.7866 5.3293 5.3293 5.4913 5.4913 5.5721 5.5721 5.7889 5.7889 6.0174 6.0174 6.2296 6.2296 11.0448 11.0448 11.6492 11.6492 13.7808 13.7808 14.1012 14.1012 15.0096 15.0096 15.2482 15.2482 k = 0.0000 0.0000 0.5464 ( 2183 PWs) bands (ev): 2.5438 2.5438 2.7637 2.7637 2.8966 2.8966 3.2660 3.2660 3.3920 3.3920 3.5009 3.5009 3.8730 3.8730 3.8991 3.8991 4.2401 4.2401 4.8658 4.8658 5.3330 5.3330 5.4819 5.4819 5.5866 5.5866 5.7899 5.7899 6.0447 6.0447 6.2301 6.2301 10.9809 10.9809 11.5707 11.5707 13.7046 13.7046 14.0260 14.0260 14.8696 14.8696 15.3386 15.3386 k = 0.0000 0.0000 0.5624 ( 2187 PWs) bands (ev): 2.5401 2.5401 2.7632 2.7632 2.8953 2.8953 3.2660 3.2660 3.4003 3.4003 3.5047 3.5047 3.8717 3.8717 3.8949 3.8949 4.2386 4.2386 4.9395 4.9395 5.3354 5.3354 5.4720 5.4720 5.6027 5.6027 5.7915 5.7915 6.0785 6.0785 6.2322 6.2322 10.9205 10.9205 11.4955 11.4955 13.6290 13.6290 13.9521 13.9521 14.6681 14.6681 15.4384 15.4384 k = 0.0000 0.0000 0.5785 ( 2179 PWs) bands (ev): 2.5367 2.5367 2.7628 2.7628 2.8948 2.8948 3.2665 3.2665 3.4089 3.4089 3.5092 3.5092 3.8697 3.8697 3.8907 3.8907 4.2358 4.2358 5.0065 5.0065 5.3360 5.3360 5.4623 5.4623 5.6199 5.6199 5.7934 5.7934 6.1174 6.1174 6.2392 6.2392 10.8636 10.8636 11.4234 11.4234 13.5542 13.5542 13.8784 13.8784 14.4463 14.4463 15.5445 15.5445 k = 0.0000 0.0000 0.5946 ( 2183 PWs) bands (ev): 2.5332 2.5332 2.7624 2.7624 2.8948 2.8948 3.2673 3.2673 3.4176 3.4176 3.5144 3.5144 3.8666 3.8666 3.8866 3.8866 4.2319 4.2319 5.0655 5.0655 5.3345 5.3345 5.4534 5.4534 5.6375 5.6375 5.7955 5.7955 6.1540 6.1540 6.2597 6.2597 10.8101 10.8101 11.3542 11.3542 13.4805 13.4805 13.8018 13.8018 14.2228 14.2228 15.6550 15.6550 k = 0.0000 0.0000 0.6107 ( 2183 PWs) bands (ev): 2.5300 2.5300 2.7621 2.7621 2.8954 2.8954 3.2687 3.2687 3.4263 3.4263 3.5202 3.5202 3.8625 3.8625 3.8827 3.8827 4.2268 4.2268 5.1160 5.1160 5.3307 5.3307 5.4459 5.4459 5.6549 5.6549 5.7978 5.7978 6.1757 6.1757 6.3076 6.3076 10.7601 10.7601 11.2877 11.2877 13.4071 13.4071 13.7141 13.7141 14.0130 14.0130 15.7693 15.7693 k = 0.0000 0.0000 0.6267 ( 2179 PWs) bands (ev): 2.5269 2.5269 2.7619 2.7619 2.8966 2.8966 3.2705 3.2705 3.4352 3.4352 3.5266 3.5266 3.8574 3.8574 3.8789 3.8789 4.2206 4.2206 5.1577 5.1577 5.3250 5.3250 5.4402 5.4402 5.6714 5.6714 5.8004 5.8004 6.1833 6.1833 6.3821 6.3821 10.7134 10.7134 11.2236 11.2236 13.3318 13.3318 13.5944 13.5944 13.8432 13.8432 15.8867 15.8867 k = 0.0000 0.0000 0.6428 ( 2179 PWs) bands (ev): 2.5239 2.5239 2.7617 2.7617 2.8984 2.8984 3.2727 3.2727 3.4442 3.4442 3.5335 3.5335 3.8514 3.8514 3.8751 3.8751 4.2136 4.2136 5.1903 5.1903 5.3187 5.3187 5.4363 5.4363 5.6866 5.6866 5.8032 5.8032 6.1846 6.1846 6.4751 6.4751 10.6699 10.6699 11.1615 11.1615 13.2451 13.2451 13.4357 13.4357 13.7316 13.7316 16.0068 16.0068 k = 0.0000 0.0000 0.6589 ( 2177 PWs) bands (ev): 2.5211 2.5211 2.7615 2.7615 2.9007 2.9007 3.2754 3.2754 3.4532 3.4532 3.5409 3.5409 3.8446 3.8446 3.8711 3.8711 4.2057 4.2057 5.2125 5.2125 5.3144 5.3144 5.4338 5.4338 5.7002 5.7002 5.8064 5.8064 6.1833 6.1833 6.5820 6.5820 10.6295 10.6295 11.1008 11.1008 13.1145 13.1145 13.2944 13.2944 13.6557 13.6557 16.1294 16.1294 k = 0.0000 0.0000 0.6749 ( 2171 PWs) bands (ev): 2.5184 2.5184 2.7614 2.7614 2.9034 2.9034 3.2786 3.2786 3.4625 3.4625 3.5486 3.5486 3.8373 3.8373 3.8666 3.8666 4.1971 4.1971 5.2224 5.2224 5.3157 5.3157 5.4325 5.4325 5.7120 5.7120 5.8100 5.8100 6.1807 6.1807 6.7003 6.7003 10.5921 10.5921 11.0410 11.0410 12.9274 12.9274 13.2049 13.2049 13.5951 13.5951 16.2541 16.2541 k = 0.0000 0.0000 0.6910 ( 2169 PWs) bands (ev): 2.5160 2.5160 2.7614 2.7614 2.9066 2.9066 3.2822 3.2822 3.4718 3.4718 3.5567 3.5567 3.8295 3.8295 3.8617 3.8617 4.1881 4.1881 5.2206 5.2206 5.3236 5.3236 5.4319 5.4319 5.7220 5.7220 5.8142 5.8142 6.1773 6.1773 6.8282 6.8282 10.5576 10.5576 10.9811 10.9811 12.7209 12.7209 13.1388 13.1388 13.5426 13.5426 16.3805 16.3805 k = 0.0000 0.0000 0.7071 ( 2173 PWs) bands (ev): 2.5136 2.5136 2.7613 2.7613 2.9100 2.9100 3.2862 3.2862 3.4812 3.4812 3.5650 3.5650 3.8214 3.8214 3.8562 3.8562 4.1787 4.1787 5.2111 5.2111 5.3353 5.3353 5.4318 5.4318 5.7302 5.7302 5.8191 5.8191 6.1735 6.1735 6.9645 6.9645 10.5259 10.5259 10.9198 10.9198 12.5131 12.5131 13.0820 13.0820 13.4954 13.4954 16.5083 16.5083 k = 0.0000 0.0000 0.7231 ( 2177 PWs) bands (ev): 2.5114 2.5114 2.7613 2.7613 2.9137 2.9137 3.2904 3.2904 3.4907 3.4907 3.5736 3.5736 3.8128 3.8128 3.8501 3.8501 4.1691 4.1691 5.1977 5.1977 5.3480 5.3480 5.4321 5.4321 5.7368 5.7368 5.8246 5.8246 6.1694 6.1694 7.1078 7.1078 10.4968 10.4968 10.8558 10.8558 12.3107 12.3107 13.0309 13.0309 13.4527 13.4527 16.6372 16.6372 k = 0.0000 0.0000 0.7392 ( 2177 PWs) bands (ev): 2.5094 2.5094 2.7613 2.7613 2.9176 2.9176 3.2950 3.2950 3.5003 3.5003 3.5822 3.5822 3.8041 3.8041 3.8433 3.8433 4.1597 4.1597 5.1827 5.1827 5.3602 5.3602 5.4325 5.4325 5.7419 5.7419 5.8307 5.8307 6.1652 6.1652 7.2574 7.2574 10.4700 10.4700 10.7868 10.7868 12.1177 12.1177 12.9844 12.9844 13.4139 13.4139 16.7665 16.7665 k = 0.0000 0.0000 0.7553 ( 2177 PWs) bands (ev): 2.5075 2.5075 2.7614 2.7614 2.9216 2.9216 3.2998 3.2998 3.5099 3.5099 3.5909 3.5909 3.7952 3.7952 3.8359 3.8359 4.1505 4.1505 5.1672 5.1672 5.3716 5.3716 5.4331 5.4331 5.7457 5.7457 5.8371 5.8371 6.1609 6.1609 7.4124 7.4124 10.4453 10.4453 10.7105 10.7105 11.9377 11.9377 12.9420 12.9420 13.3787 13.3787 16.8958 16.8958 k = 0.0000 0.0000 0.7714 ( 2177 PWs) bands (ev): 2.5058 2.5058 2.7614 2.7614 2.9256 2.9256 3.3046 3.3046 3.5195 3.5195 3.5997 3.5997 3.7863 3.7863 3.8278 3.8278 4.1418 4.1418 5.1519 5.1519 5.3818 5.3818 5.4338 5.4338 5.7485 5.7485 5.8437 5.8437 6.1567 6.1567 7.5723 7.5723 10.4217 10.4217 10.6245 10.6245 11.7744 11.7744 12.9037 12.9037 13.3471 13.3471 17.0241 17.0241 k = 0.0000 0.0000 0.7874 ( 2173 PWs) bands (ev): 2.5043 2.5043 2.7615 2.7615 2.9295 2.9295 3.3094 3.3094 3.5291 3.5291 3.6083 3.6083 3.7774 3.7774 3.8191 3.8191 4.1336 4.1336 5.1374 5.1374 5.3908 5.3908 5.4346 5.4346 5.7505 5.7505 5.8502 5.8502 6.1526 6.1526 7.7362 7.7362 10.3960 10.3960 10.5290 10.5290 11.6313 11.6313 12.8693 12.8693 13.3189 13.3189 17.1506 17.1506 k = 0.0000 0.0000 0.8035 ( 2171 PWs) bands (ev): 2.5029 2.5029 2.7616 2.7616 2.9332 2.9332 3.3142 3.3142 3.5385 3.5385 3.6169 3.6169 3.7689 3.7689 3.8099 3.8099 4.1262 4.1262 5.1239 5.1239 5.3986 5.3986 5.4355 5.4355 5.7520 5.7520 5.8564 5.8564 6.1487 6.1487 7.9037 7.9037 10.3496 10.3496 10.4406 10.4406 11.5107 11.5107 12.8389 12.8389 13.2940 13.2940 17.2739 17.2739 k = 0.0000 0.0000 0.8196 ( 2179 PWs) bands (ev): 2.5016 2.5016 2.7616 2.7616 2.9366 2.9366 3.3186 3.3186 3.5474 3.5474 3.6251 3.6251 3.7608 3.7608 3.8004 3.8004 4.1196 4.1196 5.1118 5.1118 5.4052 5.4052 5.4364 5.4364 5.7530 5.7530 5.8622 5.8622 6.1451 6.1451 8.0741 8.0741 10.2431 10.2431 10.3987 10.3987 11.4130 11.4130 12.8125 12.8125 13.2725 13.2725 17.3921 17.3921 k = 0.0000 0.0000 0.8356 ( 2175 PWs) bands (ev): 2.5006 2.5006 2.7617 2.7617 2.9397 2.9397 3.3227 3.3227 3.5559 3.5559 3.6330 3.6330 3.7535 3.7535 3.7907 3.7907 4.1140 4.1140 5.1011 5.1011 5.4105 5.4105 5.4375 5.4375 5.7536 5.7536 5.8674 5.8674 6.1419 6.1419 8.2464 8.2464 10.1019 10.1019 10.3801 10.3801 11.3368 11.3368 12.7902 12.7902 13.2544 13.2544 17.5031 17.5031 k = 0.0000 0.0000 0.8517 ( 2167 PWs) bands (ev): 2.4999 2.4999 2.7618 2.7618 2.9423 2.9423 3.3263 3.3263 3.5637 3.5637 3.6402 3.6402 3.7473 3.7473 3.7813 3.7813 4.1094 4.1094 5.0922 5.0922 5.4146 5.4146 5.4386 5.4386 5.7541 5.7541 5.8719 5.8719 6.1391 6.1391 8.4193 8.4193 9.9465 9.9465 10.3680 10.3680 11.2794 11.2794 12.7718 12.7718 13.2395 13.2395 17.6037 17.6037 k = 0.0000 0.0000 0.8678 ( 2162 PWs) bands (ev): 2.4992 2.4992 2.7619 2.7619 2.9445 2.9445 3.3292 3.3292 3.5703 3.5703 3.6464 3.6464 3.7426 3.7426 3.7724 3.7724 4.1057 4.1057 5.0851 5.0851 5.4177 5.4177 5.4396 5.4396 5.7543 5.7543 5.8755 5.8755 6.1368 6.1368 8.5905 8.5905 9.7851 9.7851 10.3595 10.3595 11.2380 11.2380 12.7575 12.7575 13.2280 13.2280 17.6900 17.6900 k = 0.0000 0.0000 0.8838 ( 2162 PWs) bands (ev): 2.4988 2.4988 2.7619 2.7619 2.9461 2.9461 3.3314 3.3314 3.5754 3.5754 3.6512 3.6512 3.7397 3.7397 3.7647 3.7647 4.1031 4.1031 5.0800 5.0800 5.4197 5.4197 5.4405 5.4405 5.7545 5.7545 5.8782 5.8782 6.1352 6.1352 8.7543 8.7543 9.6262 9.6262 10.3536 10.3536 11.2101 11.2101 12.7473 12.7473 13.2197 13.2197 17.7572 17.7572 k = 0.0000 0.0000 0.8999 ( 2168 PWs) bands (ev): 2.4985 2.4985 2.7619 2.7619 2.9469 2.9469 3.3327 3.3327 3.5786 3.5786 3.6542 3.6542 3.7384 3.7384 3.7592 3.7592 4.1015 4.1015 5.0769 5.0769 5.4208 5.4208 5.4412 5.4412 5.7546 5.7546 5.8798 5.8798 6.1341 6.1341 8.8945 8.8945 9.4883 9.4883 10.3502 10.3502 11.1941 11.1941 12.7411 12.7411 13.2148 13.2148 17.8003 17.8003 k = 0.0000 0.0000 0.9160 ( 2168 PWs) bands (ev): 2.4984 2.4984 2.7619 2.7619 2.9472 2.9472 3.3331 3.3331 3.5797 3.5797 3.6553 3.6553 3.7382 3.7382 3.7571 3.7571 4.1010 4.1010 5.0758 5.0758 5.4212 5.4212 5.4414 5.4414 5.7546 5.7546 5.8803 5.8803 6.1338 6.1338 8.9596 8.9596 9.4239 9.4239 10.3490 10.3490 11.1888 11.1888 12.7391 12.7391 13.2131 13.2131 17.8152 17.8152 k = 0.0000 0.0000 0.9160 ( 2168 PWs) bands (ev): 2.4984 2.4984 2.7619 2.7619 2.9472 2.9472 3.3331 3.3331 3.5797 3.5797 3.6553 3.6553 3.7382 3.7382 3.7571 3.7571 4.1010 4.1010 5.0758 5.0758 5.4212 5.4212 5.4414 5.4414 5.7546 5.7546 5.8803 5.8803 6.1338 6.1338 8.9596 8.9596 9.4239 9.4239 10.3490 10.3490 11.1888 11.1888 12.7391 12.7391 13.2131 13.2131 17.8152 17.8152 k =-0.0088 0.0136 0.9160 ( 2164 PWs) bands (ev): 2.4986 2.4986 2.7619 2.7619 2.9473 2.9473 3.3324 3.3324 3.5788 3.5788 3.6559 3.6559 3.7367 3.7367 3.7593 3.7593 4.1010 4.1010 5.0759 5.0759 5.4207 5.4207 5.4417 5.4417 5.7551 5.7551 5.8801 5.8801 6.1336 6.1336 8.9590 8.9590 9.4266 9.4266 10.3348 10.3348 11.1768 11.1768 12.7544 12.7544 13.2298 13.2298 17.8175 17.8175 k =-0.0177 0.0271 0.9160 ( 2164 PWs) bands (ev): 2.4993 2.4993 2.7616 2.7616 2.9473 2.9473 3.3300 3.3300 3.5762 3.5762 3.6576 3.6576 3.7336 3.7336 3.7648 3.7648 4.1012 4.1012 5.0763 5.0763 5.4193 5.4193 5.4427 5.4427 5.7565 5.7565 5.8796 5.8796 6.1329 6.1329 8.9572 8.9572 9.4349 9.4349 10.2932 10.2932 11.1418 11.1418 12.7997 12.7997 13.2784 13.2784 17.8245 17.8245 k =-0.0265 0.0407 0.9160 ( 2162 PWs) bands (ev): 2.5005 2.5005 2.7612 2.7612 2.9473 2.9473 3.3260 3.3260 3.5720 3.5720 3.6602 3.6602 3.7302 3.7302 3.7720 3.7720 4.1015 4.1015 5.0768 5.0768 5.4170 5.4170 5.4445 5.4445 5.7588 5.7588 5.8786 5.8786 6.1319 6.1319 8.9541 8.9541 9.4486 9.4486 10.2275 10.2275 11.0863 11.0863 12.8727 12.8727 13.3553 13.3553 17.8362 17.8362 k =-0.0354 0.0543 0.9160 ( 2162 PWs) bands (ev): 2.5021 2.5021 2.7605 2.7605 2.9473 2.9473 3.3207 3.3207 3.5664 3.5664 3.6635 3.6635 3.7271 3.7271 3.7802 3.7802 4.1019 4.1019 5.0776 5.0776 5.4138 5.4138 5.4470 5.4470 5.7619 5.7619 5.8774 5.8774 6.1305 6.1305 8.9496 8.9496 9.4675 9.4675 10.1420 10.1420 11.0143 11.0143 12.9703 12.9703 13.4559 13.4559 17.8525 17.8525 k =-0.0442 0.0679 0.9160 ( 2158 PWs) bands (ev): 2.5040 2.5040 2.7598 2.7598 2.9472 2.9472 3.3140 3.3140 3.5599 3.5599 3.6674 3.6674 3.7246 3.7246 3.7892 3.7892 4.1024 4.1024 5.0785 5.0785 5.4098 5.4098 5.4502 5.4502 5.7657 5.7657 5.8758 5.8758 6.1288 6.1288 8.9433 8.9433 9.4913 9.4913 10.0412 10.0412 10.9299 10.9299 13.0887 13.0887 13.5757 13.5757 17.8733 17.8733 k =-0.0531 0.0814 0.9160 ( 2166 PWs) bands (ev): 2.5063 2.5063 2.7587 2.7587 2.9471 2.9471 3.3062 3.3062 3.5522 3.5522 3.6717 3.6717 3.7225 3.7225 3.7987 3.7987 4.1031 4.1031 5.0796 5.0796 5.4051 5.4051 5.4541 5.4541 5.7701 5.7701 5.8741 5.8741 6.1269 6.1269 8.9349 8.9349 9.5194 9.5194 9.9296 9.9296 10.8369 10.8369 13.2245 13.2245 13.7110 13.7110 17.8987 17.8987 k =-0.0619 0.0950 0.9160 ( 2170 PWs) bands (ev): 2.5088 2.5088 2.7576 2.7576 2.9469 2.9469 3.2975 3.2975 3.5439 3.5439 3.6762 3.6762 3.7211 3.7211 3.8087 3.8087 4.1040 4.1040 5.0808 5.0808 5.3997 5.3997 5.4588 5.4588 5.7749 5.7749 5.8723 5.8723 6.1249 6.1249 8.9239 8.9239 9.5496 9.5496 9.8123 9.8123 10.7389 10.7389 13.3743 13.3743 13.8586 13.8586 17.9285 17.9285 k =-0.0707 0.1086 0.9160 ( 2176 PWs) bands (ev): 2.5115 2.5115 2.7563 2.7563 2.9467 2.9467 3.2881 3.2881 3.5348 3.5348 3.6808 3.6808 3.7202 3.7202 3.8190 3.8190 4.1052 4.1052 5.0822 5.0822 5.3938 5.3938 5.4642 5.4642 5.7798 5.7798 5.8706 5.8706 6.1229 6.1229 8.9098 8.9098 9.5699 9.5699 9.7035 9.7035 10.6388 10.6388 13.5357 13.5357 14.0162 14.0162 17.9626 17.9626 k =-0.0796 0.1222 0.9160 ( 2172 PWs) bands (ev): 2.5145 2.5145 2.7549 2.7549 2.9463 2.9463 3.2781 3.2781 3.5252 3.5252 3.6856 3.6856 3.7199 3.7199 3.8295 3.8295 4.1067 4.1067 5.0836 5.0836 5.3874 5.3874 5.4704 5.4704 5.7844 5.7844 5.8693 5.8693 6.1209 6.1209 8.8918 8.8918 9.5127 9.5127 9.6729 9.6729 10.5394 10.5394 13.7066 13.7066 14.1821 14.1821 18.0011 18.0011 k =-0.0884 0.1357 0.9160 ( 2168 PWs) bands (ev): 2.5175 2.5175 2.7535 2.7535 2.9459 2.9459 3.2679 3.2679 3.5150 3.5150 3.6902 3.6902 3.7202 3.7202 3.8400 3.8400 4.1086 4.1086 5.0852 5.0852 5.3807 5.3807 5.4772 5.4772 5.7885 5.7885 5.8687 5.8687 6.1191 6.1191 8.8691 8.8691 9.3910 9.3910 9.7086 9.7086 10.4428 10.4428 13.8853 13.8853 14.3548 14.3548 18.0438 18.0438 k =-0.0973 0.1493 0.9160 ( 2166 PWs) bands (ev): 2.5204 2.5204 2.7519 2.7519 2.9452 2.9452 3.2574 3.2574 3.5043 3.5043 3.6944 3.6944 3.7215 3.7215 3.8506 3.8506 4.1108 4.1108 5.0867 5.0867 5.3738 5.3738 5.4848 5.4848 5.7914 5.7914 5.8693 5.8693 6.1175 6.1175 8.8404 8.8404 9.2585 9.2585 9.7581 9.7581 10.3512 10.3512 14.0707 14.0707 14.5335 14.5335 18.0906 18.0906 k =-0.1061 0.1629 0.9160 ( 2162 PWs) bands (ev): 2.5232 2.5232 2.7503 2.7503 2.9443 2.9443 3.2470 3.2470 3.4932 3.4932 3.6979 3.6979 3.7239 3.7239 3.8611 3.8611 4.1136 4.1136 5.0883 5.0883 5.3669 5.3669 5.4930 5.4930 5.7928 5.7928 5.8713 5.8713 6.1162 6.1162 8.8047 8.8047 9.1237 9.1237 9.8137 9.8137 10.2666 10.2666 14.2615 14.2615 14.7174 14.7174 18.1416 18.1416 k =-0.1061 0.1629 0.9160 ( 2162 PWs) bands (ev): 2.5232 2.5232 2.7503 2.7503 2.9443 2.9443 3.2470 3.2470 3.4932 3.4932 3.6979 3.6979 3.7239 3.7239 3.8611 3.8611 4.1136 4.1136 5.0883 5.0883 5.3669 5.3669 5.4930 5.4930 5.7928 5.7928 5.8713 5.8713 6.1162 6.1162 8.8047 8.8047 9.1237 9.1237 9.8137 9.8137 10.2666 10.2666 14.2615 14.2615 14.7174 14.7174 18.1416 18.1416 k =-0.1123 0.1723 0.9047 ( 2166 PWs) bands (ev): 2.5250 2.5250 2.7491 2.7491 2.9433 2.9433 3.2396 3.2396 3.4848 3.4848 3.6997 3.6997 3.7263 3.7263 3.8690 3.8690 4.1159 4.1159 5.0900 5.0900 5.3619 5.3619 5.4990 5.4990 5.7929 5.7929 5.8736 5.8736 6.1155 6.1155 8.7655 8.7655 9.0301 9.0301 9.8412 9.8412 10.2388 10.2388 14.3979 14.3979 14.8487 14.8487 18.1715 18.1715 k =-0.1184 0.1818 0.8934 ( 2172 PWs) bands (ev): 2.5268 2.5268 2.7478 2.7478 2.9419 2.9419 3.2318 3.2318 3.4755 3.4755 3.7005 3.7005 3.7295 3.7295 3.8780 3.8780 4.1189 4.1189 5.0928 5.0928 5.3566 5.3566 5.5051 5.5051 5.7923 5.7923 5.8762 5.8762 6.1153 6.1153 8.7090 8.7090 8.9372 8.9372 9.8213 9.8213 10.2832 10.2832 14.5376 14.5376 14.9835 14.9835 18.1882 18.1882 k =-0.1246 0.1912 0.8822 ( 2172 PWs) bands (ev): 2.5286 2.5286 2.7466 2.7466 2.9401 2.9401 3.2238 3.2238 3.4656 3.4656 3.7002 3.7002 3.7335 3.7335 3.8882 3.8882 4.1226 4.1226 5.0968 5.0968 5.3511 5.3511 5.5113 5.5113 5.7911 5.7911 5.8793 5.8793 6.1155 6.1155 8.6421 8.6421 8.8451 8.8451 9.7594 9.7594 10.3880 10.3880 14.6802 14.6802 15.1213 15.1213 18.1934 18.1934 k =-0.1307 0.2007 0.8709 ( 2172 PWs) bands (ev): 2.5304 2.5304 2.7453 2.7453 2.9379 2.9379 3.2156 3.2156 3.4550 3.4550 3.6987 3.6987 3.7386 3.7386 3.8993 3.8993 4.1268 4.1268 5.1019 5.1019 5.3455 5.3455 5.5175 5.5175 5.7895 5.7895 5.8828 5.8828 6.1160 6.1160 8.5693 8.5693 8.7539 8.7539 9.6781 9.6781 10.5258 10.5258 14.8253 14.8253 15.2621 15.2621 18.1895 18.1895 k =-0.1369 0.2101 0.8596 ( 2169 PWs) bands (ev): 2.5320 2.5320 2.7441 2.7441 2.9353 2.9353 3.2072 3.2072 3.4439 3.4439 3.6960 3.6960 3.7448 3.7448 3.9112 3.9112 4.1315 4.1315 5.1081 5.1081 5.3397 5.3397 5.5238 5.5238 5.7876 5.7876 5.8867 5.8867 6.1169 6.1169 8.4935 8.4935 8.6639 8.6639 9.5894 9.5894 10.6820 10.6820 14.9724 14.9724 15.4055 15.4055 18.1787 18.1787 k =-0.1430 0.2196 0.8483 ( 2171 PWs) bands (ev): 2.5336 2.5336 2.7428 2.7428 2.9323 2.9323 3.1987 3.1987 3.4324 3.4324 3.6923 3.6923 3.7520 3.7520 3.9237 3.9237 4.1366 4.1366 5.1154 5.1154 5.3339 5.3339 5.5301 5.5301 5.7857 5.7857 5.8910 5.8910 6.1181 6.1181 8.4164 8.4164 8.5752 8.5752 9.4981 9.4981 10.8497 10.8497 15.1210 15.1210 15.5511 15.5511 18.1632 18.1632 k =-0.1492 0.2290 0.8371 ( 2170 PWs) bands (ev): 2.5349 2.5349 2.7416 2.7416 2.9289 2.9289 3.1901 3.1901 3.4206 3.4206 3.6876 3.6876 3.7601 3.7601 3.9369 3.9369 4.1421 4.1421 5.1238 5.1238 5.3281 5.3281 5.5363 5.5363 5.7839 5.7839 5.8956 5.8956 6.1197 6.1197 8.3393 8.3393 8.4879 8.4879 9.4064 9.4064 11.0257 11.0257 15.2704 15.2704 15.6988 15.6988 18.1449 18.1449 k =-0.1553 0.2384 0.8258 ( 2171 PWs) bands (ev): 2.5362 2.5362 2.7403 2.7403 2.9252 2.9252 3.1814 3.1814 3.4085 3.4085 3.6822 3.6822 3.7689 3.7689 3.9504 3.9504 4.1479 4.1479 5.1331 5.1331 5.3223 5.3223 5.5423 5.5423 5.7824 5.7824 5.9005 5.9005 6.1215 6.1215 8.2630 8.2630 8.4022 8.4022 9.3152 9.3152 11.2081 11.2081 15.4200 15.4200 15.8479 15.8479 18.1257 18.1257 k =-0.1615 0.2479 0.8145 ( 2175 PWs) bands (ev): 2.5373 2.5373 2.7390 2.7390 2.9212 2.9212 3.1727 3.1727 3.3962 3.3962 3.6762 3.6762 3.7784 3.7784 3.9642 3.9642 4.1540 4.1540 5.1434 5.1434 5.3166 5.3166 5.5481 5.5481 5.7815 5.7815 5.9056 5.9056 6.1237 6.1237 8.1879 8.1879 8.3182 8.3182 9.2253 9.2253 11.3958 11.3958 15.5689 15.5689 15.9981 15.9981 18.1071 18.1071 k =-0.1677 0.2573 0.8032 ( 2175 PWs) bands (ev): 2.5382 2.5382 2.7377 2.7377 2.9170 2.9170 3.1642 3.1642 3.3839 3.3839 3.6697 3.6697 3.7884 3.7884 3.9783 3.9783 4.1602 4.1602 5.1545 5.1545 5.3110 5.3110 5.5537 5.5537 5.7812 5.7812 5.9110 5.9110 6.1262 6.1262 8.1145 8.1145 8.2359 8.2359 9.1369 9.1369 11.5881 11.5881 15.7160 15.7160 16.1487 16.1487 18.0906 18.0906 k =-0.1738 0.2668 0.7920 ( 2173 PWs) bands (ev): 2.5390 2.5390 2.7364 2.7364 2.9126 2.9126 3.1557 3.1557 3.3715 3.3715 3.6628 3.6628 3.7990 3.7990 3.9925 3.9925 4.1666 4.1666 5.1663 5.1663 5.3056 5.3056 5.5589 5.5589 5.7818 5.7818 5.9166 5.9166 6.1290 6.1290 8.0430 8.0430 8.1555 8.1555 9.0503 9.0503 11.7843 11.7843 15.8603 15.8603 16.2989 16.2989 18.0775 18.0775 k =-0.1800 0.2762 0.7807 ( 2173 PWs) bands (ev): 2.5396 2.5396 2.7351 2.7351 2.9079 2.9079 3.1474 3.1474 3.3593 3.3593 3.6556 3.6556 3.8100 3.8100 4.0067 4.0067 4.1730 4.1730 5.1786 5.1786 5.3006 5.3006 5.5636 5.5636 5.7834 5.7834 5.9225 5.9225 6.1322 6.1322 7.9737 7.9737 8.0770 8.0770 8.9657 8.9657 11.9842 11.9842 16.0001 16.0001 16.4478 16.4478 18.0694 18.0694 k =-0.1861 0.2857 0.7694 ( 2165 PWs) bands (ev): 2.5401 2.5401 2.7339 2.7339 2.9032 2.9032 3.1393 3.1393 3.3473 3.3473 3.6482 3.6482 3.8213 3.8213 4.0210 4.0210 4.1794 4.1794 5.1913 5.1913 5.2960 5.2960 5.5678 5.5678 5.7862 5.7862 5.9286 5.9286 6.1357 6.1357 7.9067 7.9067 8.0005 8.0005 8.8832 8.8832 12.1874 12.1874 16.1340 16.1340 16.5939 16.5939 18.0680 18.0680 k =-0.1923 0.2951 0.7581 ( 2163 PWs) bands (ev): 2.5404 2.5404 2.7327 2.7327 2.8984 2.8984 3.1315 3.1315 3.3354 3.3354 3.6405 3.6405 3.8328 3.8328 4.0350 4.0350 4.1857 4.1857 5.2038 5.2038 5.2921 5.2921 5.5714 5.5714 5.7902 5.7902 5.9349 5.9349 6.1396 6.1396 7.8422 7.8422 7.9261 7.9261 8.8030 8.8030 12.3937 12.3937 16.2599 16.2599 16.7353 16.7353 18.0748 18.0748 k =-0.1984 0.3046 0.7469 ( 2165 PWs) bands (ev): 2.5405 2.5405 2.7314 2.7314 2.8935 2.8935 3.1239 3.1239 3.3237 3.3237 3.6329 3.6329 3.8444 3.8444 4.0488 4.0488 4.1919 4.1919 5.2158 5.2158 5.2893 5.2893 5.5744 5.5744 5.7954 5.7954 5.9415 5.9415 6.1438 6.1438 7.7803 7.7803 7.8539 7.8539 8.7252 8.7252 12.6028 12.6028 16.3760 16.3760 16.8696 16.8696 18.0923 18.0923 k =-0.2046 0.3140 0.7356 ( 2164 PWs) bands (ev): 2.5405 2.5405 2.7301 2.7301 2.8886 2.8886 3.1167 3.1167 3.3125 3.3125 3.6252 3.6252 3.8561 3.8561 4.0624 4.0624 4.1980 4.1980 5.2264 5.2264 5.2884 5.2884 5.5768 5.5768 5.8019 5.8019 5.9484 5.9484 6.1484 6.1484 7.7211 7.7211 7.7840 7.7840 8.6501 8.6501 12.8145 12.8145 16.4804 16.4804 16.9938 16.9938 18.1231 18.1231 k =-0.2107 0.3235 0.7243 ( 2168 PWs) bands (ev): 2.5404 2.5404 2.7288 2.7288 2.8837 2.8837 3.1097 3.1097 3.3016 3.3016 3.6176 3.6176 3.8677 3.8677 4.0756 4.0756 4.2039 4.2039 5.2343 5.2343 5.2904 5.2904 5.5785 5.5785 5.8095 5.8095 5.9556 5.9556 6.1535 6.1535 7.6646 7.6646 7.7167 7.7167 8.5777 8.5777 13.0286 13.0286 16.5718 16.5718 17.1044 17.1044 18.1702 18.1702 k =-0.2169 0.3329 0.7130 ( 2173 PWs) bands (ev): 2.5401 2.5401 2.7275 2.7275 2.8789 2.8789 3.1032 3.1032 3.2911 3.2911 3.6101 3.6101 3.8791 3.8791 4.0884 4.0884 4.2095 4.2095 5.2387 5.2387 5.2961 5.2961 5.5797 5.5797 5.8183 5.8183 5.9629 5.9629 6.1590 6.1590 7.6107 7.6107 7.6522 7.6522 8.5082 8.5082 13.2449 13.2449 16.6495 16.6495 17.1979 17.1979 18.2365 18.2365 k =-0.2230 0.3424 0.7018 ( 2175 PWs) bands (ev): 2.5398 2.5398 2.7262 2.7262 2.8742 2.8742 3.0970 3.0970 3.2811 3.2811 3.6028 3.6028 3.8902 3.8902 4.1007 4.1007 4.2149 4.2149 5.2399 5.2399 5.3051 5.3051 5.5803 5.5803 5.8279 5.8279 5.9706 5.9706 6.1648 6.1648 7.5591 7.5591 7.5912 7.5912 8.4418 8.4418 13.4630 13.4630 16.7136 16.7136 17.2725 17.2725 18.3232 18.3232 k =-0.2292 0.3518 0.6905 ( 2175 PWs) bands (ev): 2.5394 2.5394 2.7250 2.7250 2.8697 2.8697 3.0913 3.0913 3.2717 3.2717 3.5958 3.5958 3.9009 3.9009 4.1125 4.1125 4.2200 4.2200 5.2390 5.2390 5.3161 5.3161 5.5803 5.5803 5.8384 5.8384 5.9784 5.9784 6.1711 6.1711 7.5088 7.5088 7.5349 7.5349 8.3787 8.3787 13.6828 13.6828 16.7650 16.7650 17.3282 17.3282 18.4298 18.4298 k =-0.2354 0.3613 0.6792 ( 2179 PWs) bands (ev): 2.5389 2.5389 2.7238 2.7238 2.8655 2.8655 3.0860 3.0860 3.2629 3.2629 3.5891 3.5891 3.9112 3.9112 4.1236 4.1236 4.2248 4.2248 5.2369 5.2369 5.3281 5.3281 5.5800 5.5800 5.8493 5.8493 5.9863 5.9863 6.1778 6.1778 7.4582 7.4582 7.4851 7.4851 8.3192 8.3192 13.9038 13.9038 16.8050 16.8050 17.3667 17.3667 18.5534 18.5534 k =-0.2415 0.3707 0.6679 ( 2179 PWs) bands (ev): 2.5385 2.5385 2.7226 2.7226 2.8615 2.8615 3.0812 3.0812 3.2547 3.2547 3.5828 3.5828 3.9209 3.9209 4.1341 4.1341 4.2292 4.2292 5.2342 5.2342 5.3402 5.3402 5.5792 5.5792 5.8605 5.8605 5.9944 5.9944 6.1848 6.1848 7.4077 7.4077 7.4418 7.4418 8.2634 8.2634 14.1256 14.1256 16.8354 16.8354 17.3909 17.3909 18.6894 18.6894 k =-0.2477 0.3802 0.6567 ( 2175 PWs) bands (ev): 2.5380 2.5380 2.7215 2.7215 2.8578 2.8578 3.0769 3.0769 3.2472 3.2472 3.5770 3.5770 3.9300 3.9300 4.1438 4.1438 4.2333 4.2333 5.2314 5.2314 5.3521 5.3521 5.5782 5.5782 5.8718 5.8718 6.0024 6.0024 6.1920 6.1920 7.3588 7.3588 7.4039 7.4039 8.2117 8.2117 14.3477 14.3477 16.8579 16.8579 17.4035 17.4035 18.8295 18.8295 k =-0.2538 0.3896 0.6454 ( 2173 PWs) bands (ev): 2.5375 2.5375 2.7204 2.7204 2.8544 2.8544 3.0729 3.0729 3.2404 3.2404 3.5716 3.5716 3.9383 3.9383 4.1528 4.1528 4.2371 4.2371 5.2286 5.2286 5.3635 5.3635 5.5769 5.5769 5.8828 5.8828 6.0102 6.0102 6.1994 6.1994 7.3128 7.3128 7.3703 7.3703 8.1643 8.1643 14.5692 14.5692 16.8740 16.8740 17.4062 17.4062 18.9308 18.9308 k =-0.2600 0.3990 0.6341 ( 2171 PWs) bands (ev): 2.5370 2.5370 2.7195 2.7195 2.8514 2.8514 3.0695 3.0695 3.2343 3.2343 3.5667 3.5667 3.9458 3.9458 4.1608 4.1608 4.2404 4.2404 5.2260 5.2260 5.3740 5.3740 5.5754 5.5754 5.8933 5.8933 6.0178 6.0178 6.2067 6.2067 7.2705 7.2705 7.3409 7.3409 8.1216 8.1216 14.7890 14.7890 16.8850 16.8850 17.3999 17.3999 18.8428 18.8428 k =-0.2661 0.4085 0.6228 ( 2173 PWs) bands (ev): 2.5365 2.5365 2.7185 2.7185 2.8487 2.8487 3.0665 3.0665 3.2290 3.2290 3.5624 3.5624 3.9524 3.9524 4.1680 4.1680 4.2433 4.2433 5.2235 5.2235 5.3835 5.3835 5.5738 5.5738 5.9030 5.9030 6.0249 6.0249 6.2139 6.2139 7.2325 7.2325 7.3153 7.3153 8.0837 8.0837 15.0054 15.0054 16.8917 16.8917 17.3845 17.3845 18.6630 18.6630 k =-0.2723 0.4179 0.6116 ( 2173 PWs) bands (ev): 2.5361 2.5361 2.7177 2.7177 2.8464 2.8464 3.0639 3.0639 3.2245 3.2245 3.5588 3.5588 3.9581 3.9581 4.1741 4.1741 4.2459 4.2459 5.2214 5.2214 5.3919 5.3919 5.5723 5.5723 5.9116 5.9116 6.0315 6.0315 6.2206 6.2206 7.1991 7.1991 7.2937 7.2937 8.0510 8.0510 15.2160 15.2160 16.8949 16.8949 17.3587 17.3587 18.4787 18.4787 k =-0.2784 0.4274 0.6003 ( 2170 PWs) bands (ev): 2.5358 2.5358 2.7171 2.7171 2.8445 2.8445 3.0619 3.0619 3.2207 3.2207 3.5557 3.5557 3.9628 3.9628 4.1792 4.1792 4.2479 4.2479 5.2195 5.2195 5.3990 5.3990 5.5709 5.5709 5.9189 5.9189 6.0372 6.0372 6.2267 6.2267 7.1710 7.1710 7.2761 7.2761 8.0238 8.0238 15.4166 15.4166 16.8946 16.8946 17.3210 17.3210 18.3122 18.3122 k =-0.2846 0.4368 0.5890 ( 2176 PWs) bands (ev): 2.5355 2.5355 2.7164 2.7164 2.8430 2.8430 3.0602 3.0602 3.2178 3.2178 3.5533 3.5533 3.9665 3.9665 4.1832 4.1832 4.2496 4.2496 5.2181 5.2181 5.4046 5.4046 5.5696 5.5696 5.9248 5.9248 6.0419 6.0419 6.2318 6.2318 7.1485 7.1485 7.2623 7.2623 8.0024 8.0024 15.6005 15.6005 16.8905 16.8905 17.2718 17.2718 18.1757 18.1757 k =-0.2907 0.4463 0.5777 ( 2178 PWs) bands (ev): 2.5353 2.5353 2.7160 2.7160 2.8420 2.8420 3.0590 3.0590 3.2157 3.2157 3.5516 3.5516 3.9691 3.9691 4.1861 4.1861 4.2508 4.2508 5.2170 5.2170 5.4088 5.4088 5.5687 5.5687 5.9291 5.9291 6.0455 6.0455 6.2357 6.2357 7.1321 7.1321 7.2525 7.2525 7.9869 7.9869 15.7563 15.7563 16.8821 16.8821 17.2177 17.2177 18.0769 18.0769 k =-0.2969 0.4557 0.5665 ( 2174 PWs) bands (ev): 2.5352 2.5352 2.7157 2.7157 2.8414 2.8414 3.0583 3.0583 3.2145 3.2145 3.5506 3.5506 3.9706 3.9706 4.1878 4.1878 4.2515 4.2515 5.2164 5.2164 5.4113 5.4113 5.5681 5.5681 5.9317 5.9317 6.0477 6.0477 6.2382 6.2382 7.1220 7.1220 7.2466 7.2466 7.9775 7.9775 15.8658 15.8658 16.8714 16.8714 17.1738 17.1738 18.0184 18.0184 k =-0.3031 0.4652 0.5552 ( 2178 PWs) bands (ev): 2.5352 2.5352 2.7155 2.7155 2.8412 2.8412 3.0580 3.0580 3.2141 3.2141 3.5502 3.5502 3.9711 3.9711 4.1883 4.1883 4.2518 4.2518 5.2161 5.2161 5.4122 5.4122 5.5679 5.5679 5.9325 5.9325 6.0485 6.0485 6.2391 6.2391 7.1185 7.1185 7.2447 7.2447 7.9744 7.9744 15.9064 15.9064 16.8657 16.8657 17.1567 17.1567 17.9990 17.9990 k =-0.3031 0.4652 0.5552 ( 2178 PWs) bands (ev): 2.5352 2.5352 2.7155 2.7155 2.8412 2.8412 3.0580 3.0580 3.2141 3.2141 3.5502 3.5502 3.9711 3.9711 4.1883 4.1883 4.2518 4.2518 5.2161 5.2161 5.4122 5.4122 5.5679 5.5679 5.9325 5.9325 6.0485 6.0485 6.2391 6.2391 7.1185 7.1185 7.2447 7.2447 7.9744 7.9744 15.9064 15.9064 16.8657 16.8657 17.1567 17.1567 17.9990 17.9990 k =-0.2969 0.4557 0.5439 ( 2174 PWs) bands (ev): 2.5394 2.5394 2.7155 2.7155 2.8431 2.8431 3.0548 3.0548 3.2170 3.2170 3.5583 3.5583 3.9546 3.9546 4.1945 4.1945 4.2462 4.2462 5.2023 5.2023 5.4221 5.4221 5.5620 5.5620 5.9270 5.9270 6.0486 6.0486 6.2367 6.2367 7.1574 7.1574 7.2404 7.2404 8.0163 8.0163 16.0429 16.0429 16.7440 16.7440 17.0609 17.0609 17.9975 17.9975 k =-0.2907 0.4462 0.5325 ( 2166 PWs) bands (ev): 2.5436 2.5436 2.7157 2.7157 2.8456 2.8456 3.0524 3.0524 3.2196 3.2196 3.5672 3.5672 3.9376 3.9376 4.1999 4.1999 4.2401 4.2401 5.1863 5.1863 5.4319 5.4319 5.5556 5.5556 5.9206 5.9206 6.0465 6.0465 6.2346 6.2346 7.0725 7.0725 7.3433 7.3433 8.0898 8.0898 16.1719 16.1719 16.6243 16.6243 16.9557 16.9557 18.0199 18.0199 k =-0.2845 0.4367 0.5212 ( 2166 PWs) bands (ev): 2.5477 2.5477 2.7161 2.7161 2.8486 2.8486 3.0508 3.0508 3.2221 3.2221 3.5766 3.5766 3.9202 3.9202 4.2042 4.2042 4.2335 4.2335 5.1679 5.1679 5.4416 5.4416 5.5487 5.5487 5.9135 5.9135 6.0419 6.0419 6.2327 6.2327 6.9711 6.9711 7.4578 7.4578 8.1831 8.1831 16.2653 16.2653 16.5388 16.5388 16.8434 16.8434 18.0600 18.0600 k =-0.2783 0.4272 0.5099 ( 2170 PWs) bands (ev): 2.5517 2.5517 2.7166 2.7166 2.8520 2.8520 3.0500 3.0500 3.2246 3.2246 3.5866 3.5866 3.9026 3.9026 4.2075 4.2075 4.2266 4.2266 5.1470 5.1470 5.4510 5.4510 5.5412 5.5412 5.9059 5.9059 6.0345 6.0345 6.2312 6.2312 6.8665 6.8665 7.5779 7.5779 8.2891 8.2891 16.2437 16.2437 16.5627 16.5627 16.7328 16.7328 18.1130 18.1130 k =-0.2721 0.4177 0.4985 ( 2170 PWs) bands (ev): 2.5558 2.5558 2.7174 2.7174 2.8560 2.8560 3.0500 3.0500 3.2270 3.2270 3.5969 3.5969 3.8849 3.8849 4.2090 4.2090 4.2201 4.2201 5.1232 5.1232 5.4602 5.4602 5.5330 5.5330 5.8977 5.8977 6.0240 6.0240 6.2299 6.2299 6.7640 6.7640 7.7028 7.7028 8.4042 8.4042 16.1397 16.1397 16.5691 16.5691 16.7217 16.7217 18.1754 18.1754 k =-0.2659 0.4082 0.4872 ( 2178 PWs) bands (ev): 2.5597 2.5597 2.7183 2.7183 2.8604 2.8604 3.0507 3.0507 3.2294 3.2294 3.6074 3.6074 3.8670 3.8670 4.2061 4.2061 4.2167 4.2167 5.0962 5.0962 5.4692 5.4692 5.5240 5.5240 5.8891 5.8891 6.0101 6.0101 6.2290 6.2290 6.6668 6.6668 7.8320 7.8320 8.5261 8.5261 16.0176 16.0176 16.4574 16.4574 16.8486 16.8486 18.2451 18.2451 k =-0.2598 0.3987 0.4759 ( 2178 PWs) bands (ev): 2.5637 2.5637 2.7195 2.7195 2.8653 2.8653 3.0522 3.0522 3.2320 3.2320 3.6181 3.6181 3.8491 3.8491 4.1988 4.1988 4.2164 4.2164 5.0657 5.0657 5.4778 5.4778 5.5142 5.5142 5.8800 5.8800 5.9926 5.9926 6.2282 6.2282 6.5774 6.5774 7.9653 7.9653 8.6536 8.6536 15.8923 15.8923 16.3341 16.3341 16.9933 16.9933 18.3205 18.3205 k =-0.2536 0.3892 0.4645 ( 2178 PWs) bands (ev): 2.5677 2.5677 2.7208 2.7208 2.8706 2.8706 3.0544 3.0544 3.2347 3.2347 3.6289 3.6289 3.8314 3.8314 4.1901 4.1901 4.2163 4.2163 5.0313 5.0313 5.4860 5.4860 5.5037 5.5037 5.8700 5.8700 5.9716 5.9716 6.2276 6.2276 6.4974 6.4974 8.1024 8.1024 8.7859 8.7859 15.7675 15.7675 16.2095 16.2095 17.1426 17.1426 18.4004 18.4004 k =-0.2474 0.3797 0.4532 ( 2174 PWs) bands (ev): 2.5717 2.5717 2.7223 2.7223 2.8763 2.8763 3.0573 3.0573 3.2376 3.2376 3.6396 3.6396 3.8139 3.8139 4.1806 4.1806 4.2156 4.2156 4.9926 4.9926 5.4898 5.4898 5.4963 5.4963 5.8585 5.8585 5.9477 5.9477 6.2271 6.2271 6.4281 6.4281 8.2431 8.2431 8.9225 8.9225 15.6445 15.6445 16.0852 16.0852 17.2936 17.2936 18.4834 18.4834 k =-0.2412 0.3702 0.4419 ( 2176 PWs) bands (ev): 2.5756 2.5756 2.7239 2.7239 2.8824 2.8824 3.0608 3.0608 3.2406 3.2406 3.6501 3.6501 3.7966 3.7966 4.1707 4.1707 4.2141 4.2141 4.9492 4.9492 5.4786 5.4786 5.5026 5.5026 5.8442 5.8442 5.9229 5.9229 6.2262 6.2262 6.3697 6.3697 8.3873 8.3873 9.0630 9.0630 15.5239 15.5239 15.9622 15.9622 17.4449 17.4449 18.5672 18.5672 k =-0.2350 0.3607 0.4305 ( 2174 PWs) bands (ev): 2.5796 2.5796 2.7256 2.7256 2.8889 2.8889 3.0651 3.0651 3.2437 3.2437 3.6603 3.6603 3.7798 3.7798 4.1602 4.1602 4.2120 4.2120 4.9011 4.9011 5.4653 5.4653 5.5098 5.5098 5.8255 5.8255 5.9003 5.9003 6.2248 6.2248 6.3221 6.3221 8.5348 8.5348 9.2073 9.2073 15.4060 15.4060 15.8407 15.8407 17.5952 17.5952 18.6464 18.6464 k =-0.2288 0.3513 0.4192 ( 2180 PWs) bands (ev): 2.5835 2.5835 2.7273 2.7273 2.8956 2.8956 3.0699 3.0699 3.2469 3.2469 3.6701 3.6701 3.7636 3.7636 4.1493 4.1493 4.2090 4.2090 4.8482 4.8482 5.4512 5.4512 5.5166 5.5166 5.8012 5.8012 5.8823 5.8823 6.2215 6.2215 6.2849 6.2849 8.6855 8.6855 9.3550 9.3550 15.2910 15.2910 15.7210 15.7210 17.7425 17.7425 18.7045 18.7045 k =-0.2227 0.3418 0.4079 ( 2176 PWs) bands (ev): 2.5874 2.5874 2.7292 2.7292 2.9027 2.9027 3.0753 3.0753 3.2502 3.2502 3.6791 3.6791 3.7484 3.7484 4.1379 4.1379 4.2052 4.2052 4.7910 4.7910 5.4365 5.4365 5.5230 5.5230 5.7732 5.7732 5.8690 5.8690 6.2138 6.2138 6.2592 6.2592 8.8392 8.8392 9.5061 9.5061 15.1791 15.1791 15.6035 15.6035 17.8840 17.8840 18.7005 18.7111 k =-0.2165 0.3323 0.3966 ( 2178 PWs) bands (ev): 2.5912 2.5912 2.7310 2.7310 2.9099 2.9099 3.0812 3.0812 3.2536 3.2536 3.6867 3.6867 3.7349 3.7349 4.1258 4.1258 4.2006 4.2006 4.7301 4.7301 5.4215 5.4215 5.5288 5.5288 5.7441 5.7441 5.8589 5.8589 6.1988 6.1988 6.2458 6.2458 8.9959 8.9959 9.6603 9.6603 15.0703 15.0703 15.4883 15.4883 18.0134 18.0134 18.5957 18.5957 k =-0.2103 0.3228 0.3852 ( 2180 PWs) bands (ev): 2.5950 2.5950 2.7329 2.7329 2.9175 2.9175 3.0875 3.0875 3.2570 3.2570 3.6906 3.6906 3.7254 3.7254 4.1131 4.1131 4.1951 4.1951 4.6662 4.6662 5.4063 5.4063 5.5342 5.5342 5.7159 5.7159 5.8508 5.8508 6.1799 6.1799 6.2403 6.2403 9.1554 9.1554 9.8176 9.8176 14.9648 14.9648 15.3754 15.3754 18.1182 18.1182 18.4922 18.4922 k =-0.2041 0.3133 0.3739 ( 2180 PWs) bands (ev): 2.5987 2.5987 2.7347 2.7347 2.9252 2.9252 3.0944 3.0944 3.2605 3.2605 3.6874 3.6874 3.7233 3.7233 4.0994 4.0994 4.1888 4.1888 4.6007 4.6007 5.3914 5.3914 5.5389 5.5389 5.6896 5.6896 5.8439 5.8439 6.1608 6.1608 6.2376 6.2376 9.3175 9.3175 9.9780 9.9780 14.8625 14.8625 15.2651 15.2651 18.1774 18.1774 18.3902 18.3902 k =-0.1979 0.3038 0.3626 ( 2178 PWs) bands (ev): 2.6024 2.6024 2.7365 2.7365 2.9331 2.9331 3.1015 3.1015 3.2639 3.2639 3.6782 3.6782 3.7276 3.7276 4.0846 4.0846 4.1814 4.1814 4.5347 4.5347 5.3768 5.3768 5.5429 5.5429 5.6656 5.6656 5.8380 5.8380 6.1426 6.1426 6.2358 6.2358 9.4822 9.4822 10.1412 10.1412 14.7635 14.7635 15.1574 15.1574 18.1801 18.1801 18.2900 18.2900 k =-0.1917 0.2943 0.3512 ( 2174 PWs) bands (ev): 2.6060 2.6060 2.7382 2.7382 2.9411 2.9411 3.1090 3.1090 3.2672 3.2672 3.6672 3.6672 3.7342 3.7342 4.0681 4.0681 4.1727 4.1727 4.4700 4.4700 5.3627 5.3627 5.5462 5.5462 5.6439 5.6439 5.8328 5.8328 6.1254 6.1254 6.2343 6.2343 9.6493 9.6493 10.3072 10.3072 14.6680 14.6680 15.0524 15.0524 18.1424 18.1424 18.1921 18.1921 k =-0.1855 0.2848 0.3399 ( 2170 PWs) bands (ev): 2.6095 2.6095 2.7399 2.7399 2.9491 2.9491 3.1167 3.1167 3.2705 3.2705 3.6560 3.6560 3.7412 3.7412 4.0493 4.0493 4.1626 4.1626 4.4083 4.4083 5.3494 5.3494 5.5486 5.5486 5.6246 5.6246 5.8280 5.8280 6.1091 6.1091 6.2328 6.2328 9.8187 9.8187 10.4760 10.4760 14.5759 14.5759 14.9502 14.9502 18.0819 18.0819 18.0997 18.0997 k =-0.1794 0.2753 0.3286 ( 2168 PWs) bands (ev): 2.6128 2.6128 2.7414 2.7414 2.9571 2.9571 3.1244 3.1244 3.2736 3.2736 3.6453 3.6453 3.7484 3.7484 4.0271 4.0271 4.1504 4.1504 4.3520 4.3520 5.3369 5.3369 5.5498 5.5498 5.6076 5.6076 5.8237 5.8237 6.0935 6.0935 6.2311 6.2311 9.9901 9.9901 10.6473 10.6473 14.4874 14.4874 14.8509 14.8509 17.9967 17.9967 18.0259 18.0259 k =-0.1732 0.2658 0.3172 ( 2168 PWs) bands (ev): 2.6159 2.6159 2.7427 2.7427 2.9650 2.9650 3.1322 3.1322 3.2766 3.2766 3.6351 3.6351 3.7552 3.7552 4.0005 4.0005 4.1359 4.1359 4.3035 4.3035 5.3252 5.3252 5.5493 5.5493 5.5932 5.5932 5.8197 5.8197 6.0786 6.0786 6.2292 6.2292 10.1635 10.1635 10.8212 10.8212 14.4024 14.4024 14.7544 14.7544 17.9054 17.9054 17.9573 17.9573 k =-0.1670 0.2563 0.3059 ( 2172 PWs) bands (ev): 2.6188 2.6188 2.7439 2.7439 2.9726 2.9726 3.1397 3.1397 3.2795 3.2795 3.6254 3.6254 3.7618 3.7618 3.9685 3.9685 4.1190 4.1190 4.2646 4.2646 5.3145 5.3145 5.5463 5.5463 5.5820 5.5820 5.8159 5.8159 6.0641 6.0641 6.2269 6.2269 10.3386 10.3386 10.9975 10.9975 14.3212 14.3212 14.6610 14.6610 17.8156 17.8156 17.8890 17.8890 k =-0.1608 0.2468 0.2946 ( 2168 PWs) bands (ev): 2.6215 2.6215 2.7450 2.7450 2.9799 2.9799 3.1471 3.1471 3.2825 3.2825 3.6161 3.6161 3.7680 3.7680 3.9310 3.9310 4.1005 4.1005 4.2353 4.2353 5.3048 5.3048 5.5401 5.5401 5.5746 5.5746 5.8122 5.8122 6.0503 6.0503 6.2244 6.2244 10.5152 10.5152 11.1761 11.1761 14.2438 14.2438 14.5708 14.5708 17.7279 17.7279 17.8215 17.8215 k =-0.1546 0.2373 0.2833 ( 2166 PWs) bands (ev): 2.6240 2.6240 2.7458 2.7458 2.9867 2.9867 3.1539 3.1539 3.2855 3.2855 3.6067 3.6067 3.7738 3.7738 3.8895 3.8895 4.0818 4.0818 4.2140 4.2140 5.2960 5.2960 5.5313 5.5313 5.5702 5.5702 5.8085 5.8085 6.0370 6.0370 6.2215 6.2215 10.6930 10.6930 11.3568 11.3568 14.1705 14.1705 14.4838 14.4838 17.6426 17.6426 17.7556 17.7556 k =-0.1484 0.2278 0.2719 ( 2166 PWs) bands (ev): 2.6261 2.6261 2.7465 2.7465 2.9929 2.9929 3.1600 3.1600 3.2889 3.2889 3.5967 3.5967 3.7791 3.7791 3.8465 3.8465 4.0636 4.0636 4.1984 4.1984 5.2882 5.2882 5.5213 5.5213 5.5672 5.5672 5.8045 5.8045 6.0243 6.0243 6.2184 6.2184 10.8717 10.8717 11.5396 11.5396 14.1013 14.1013 14.4002 14.4002 17.5599 17.5599 17.6915 17.6915 k =-0.1423 0.2183 0.2606 ( 2166 PWs) bands (ev): 2.6279 2.6279 2.7471 2.7471 2.9982 2.9982 3.1652 3.1652 3.2928 3.2928 3.5851 3.5851 3.7838 3.7838 3.8051 3.8051 4.0463 4.0463 4.1864 4.1864 5.2815 5.2815 5.5110 5.5110 5.5647 5.5647 5.8002 5.8002 6.0124 6.0124 6.2148 6.2148 11.0508 11.0508 11.7242 11.7242 14.0366 14.0366 14.3201 14.3201 17.4798 17.4798 17.6295 17.6295 k =-0.1361 0.2089 0.2493 ( 2166 PWs) bands (ev): 2.6292 2.6292 2.7474 2.7474 3.0023 3.0023 3.1694 3.1694 3.2974 3.2974 3.5708 3.5708 3.7678 3.7678 3.7885 3.7885 4.0298 4.0298 4.1771 4.1771 5.2757 5.2757 5.5009 5.5009 5.5622 5.5622 5.7955 5.7955 6.0013 6.0013 6.2110 6.2110 11.2299 11.2299 11.9105 11.9105 13.9766 13.9766 14.2438 14.2438 17.4024 17.4024 17.5698 17.5698 k =-0.1299 0.1994 0.2379 ( 2166 PWs) bands (ev): 2.6301 2.6301 2.7476 2.7476 3.0051 3.0051 3.1724 3.1724 3.3028 3.3028 3.5526 3.5526 3.7377 3.7377 3.7922 3.7922 4.0140 4.0140 4.1696 4.1696 5.2709 5.2709 5.4911 5.4911 5.5595 5.5595 5.7901 5.7901 5.9913 5.9913 6.2068 6.2068 11.4082 11.4082 12.0980 12.0980 13.9218 13.9218 14.1716 14.1716 17.3278 17.3278 17.5125 17.5125 k =-0.1237 0.1899 0.2266 ( 2162 PWs) bands (ev): 2.6305 2.6305 2.7477 2.7477 3.0062 3.0062 3.1743 3.1743 3.3092 3.3092 3.5303 3.5303 3.7156 3.7156 3.7955 3.7955 3.9987 3.9987 4.1635 4.1635 5.2671 5.2671 5.4818 5.4818 5.5563 5.5563 5.7839 5.7839 5.9822 5.9822 6.2024 6.2024 11.5850 11.5850 12.2865 12.2865 13.8727 13.8727 14.1040 14.1040 17.2560 17.2560 17.4576 17.4576 k =-0.1175 0.1804 0.2153 ( 2166 PWs) bands (ev): 2.6303 2.6303 2.7475 2.7475 3.0053 3.0053 3.1751 3.1751 3.3166 3.3166 3.5051 3.5051 3.7009 3.7009 3.7981 3.7981 3.9837 3.9837 4.1587 4.1587 5.2643 5.2643 5.4728 5.4728 5.5528 5.5528 5.7770 5.7770 5.9744 5.9744 6.1977 6.1977 11.7590 11.7590 12.4753 12.4753 13.8300 13.8300 14.0418 14.0418 17.1871 17.1871 17.4052 17.4052 k =-0.1113 0.1709 0.2039 ( 2164 PWs) bands (ev): 2.6295 2.6295 2.7473 2.7473 3.0022 3.0022 3.1750 3.1750 3.3250 3.3250 3.4791 3.4791 3.6921 3.6921 3.8002 3.8002 3.9690 3.9690 4.1550 4.1550 5.2624 5.2624 5.4643 5.4643 5.5488 5.5488 5.7692 5.7692 5.9678 5.9678 6.1927 6.1927 11.9287 11.9287 12.6635 12.6635 13.7946 13.7946 13.9864 13.9864 17.1212 17.1212 17.3553 17.3553 k =-0.1051 0.1614 0.1926 ( 2166 PWs) bands (ev): 2.6280 2.6280 2.7469 2.7469 2.9967 2.9967 3.1741 3.1741 3.3341 3.3341 3.4542 3.4542 3.6876 3.6876 3.8016 3.8016 3.9546 3.9546 4.1523 4.1523 5.2615 5.2615 5.4563 5.4563 5.5444 5.5444 5.7606 5.7606 5.9623 5.9623 6.1876 6.1876 12.0922 12.0922 12.8495 12.8495 13.7673 13.7673 13.9399 13.9399 17.0583 17.0583 17.3079 17.3079 k =-0.0990 0.1519 0.1813 ( 2170 PWs) bands (ev): 2.6258 2.6258 2.7464 2.7464 2.9889 2.9889 3.1727 3.1727 3.3439 3.3439 3.4318 3.4318 3.6859 3.6859 3.8022 3.8022 3.9404 3.9404 4.1505 4.1505 5.2616 5.2616 5.4486 5.4486 5.5395 5.5395 5.7513 5.7513 5.9580 5.9580 6.1823 6.1823 12.2467 12.2467 13.0303 13.0303 13.7493 13.7493 13.9068 13.9068 16.9983 16.9983 17.2630 17.2630 k =-0.0928 0.1424 0.1700 ( 2170 PWs) bands (ev): 2.6227 2.6227 2.7458 2.7458 2.9790 2.9790 3.1709 3.1709 3.3542 3.3542 3.4128 3.4128 3.6862 3.6862 3.8022 3.8022 3.9264 3.9264 4.1496 4.1496 5.2626 5.2626 5.4413 5.4413 5.5341 5.5341 5.7415 5.7415 5.9548 5.9548 6.1769 6.1769 12.3888 12.3888 13.1989 13.1989 13.7435 13.7435 13.8937 13.8937 16.9414 16.9414 17.2205 17.2205 k =-0.0866 0.1329 0.1586 ( 2157 PWs) bands (ev): 2.6189 2.6189 2.7453 2.7453 2.9675 2.9675 3.1689 3.1689 3.3646 3.3646 3.3977 3.3977 3.6880 3.6880 3.8015 3.8015 3.9127 3.9127 4.1496 4.1496 5.2645 5.2645 5.4345 5.4345 5.5282 5.5282 5.7314 5.7314 5.9525 5.9525 6.1714 6.1714 12.5147 12.5147 13.3397 13.3397 13.7597 13.7597 13.9099 13.9099 16.8875 16.8875 17.1805 17.1805 k =-0.0804 0.1234 0.1473 ( 2157 PWs) bands (ev): 2.6142 2.6142 2.7446 2.7446 2.9549 2.9549 3.1666 3.1666 3.3733 3.3733 3.3879 3.3879 3.6907 3.6907 3.8000 3.8000 3.8993 3.8993 4.1503 4.1503 5.2672 5.2672 5.4280 5.4280 5.5218 5.5218 5.7211 5.7211 5.9510 5.9510 6.1659 6.1659 12.6207 12.6207 13.4272 13.4272 13.8172 13.8172 13.9646 13.9646 16.8365 16.8365 17.1427 17.1427 k =-0.0742 0.1139 0.1360 ( 2153 PWs) bands (ev): 2.6087 2.6087 2.7439 2.7439 2.9418 2.9418 3.1641 3.1641 3.3723 3.3723 3.3912 3.3912 3.6941 3.6941 3.7978 3.7978 3.8862 3.8862 4.1517 4.1517 5.2708 5.2708 5.4219 5.4219 5.5149 5.5149 5.7109 5.7109 5.9502 5.9502 6.1604 6.1604 12.7047 12.7047 13.4560 13.4560 13.9147 13.9147 14.0658 14.0658 16.7886 16.7886 17.1071 17.1071 k =-0.0680 0.1044 0.1246 ( 2153 PWs) bands (ev): 2.6026 2.6026 2.7432 2.7432 2.9288 2.9288 3.1615 3.1615 3.3670 3.3670 3.4013 3.4013 3.6981 3.6981 3.7950 3.7950 3.8736 3.8736 4.1537 4.1537 5.2751 5.2751 5.4162 5.4162 5.5074 5.5074 5.7010 5.7010 5.9499 5.9499 6.1551 6.1551 12.7669 12.7669 13.4514 13.4514 14.0298 14.0298 14.2089 14.2089 16.7435 16.7435 17.0735 17.0735 k =-0.0618 0.0949 0.1133 ( 2155 PWs) bands (ev): 2.5958 2.5958 2.7425 2.7425 2.9164 2.9164 3.1587 3.1587 3.3630 3.3630 3.4123 3.4123 3.7024 3.7024 3.7915 3.7915 3.8614 3.8614 4.1560 4.1560 5.2802 5.2802 5.4109 5.4109 5.4994 5.4994 5.6916 5.6916 5.9500 5.9500 6.1499 6.1499 12.8100 12.8100 13.4333 13.4333 14.1569 14.1569 14.3760 14.3760 16.7012 16.7012 17.0417 17.0417 k =-0.0557 0.0854 0.1020 ( 2151 PWs) bands (ev): 2.5887 2.5887 2.7418 2.7418 2.9049 2.9049 3.1560 3.1560 3.3606 3.3606 3.4233 3.4233 3.7069 3.7069 3.7875 3.7875 3.8498 3.8498 4.1588 4.1588 5.2859 5.2859 5.4061 5.4061 5.4910 5.4910 5.6828 5.6828 5.9505 5.9505 6.1449 6.1449 12.8381 12.8381 13.4108 13.4108 14.2953 14.2953 14.5528 14.5528 16.6617 16.6617 17.0114 17.0114 k =-0.0495 0.0759 0.0906 ( 2151 PWs) bands (ev): 2.5814 2.5814 2.7411 2.7411 2.8947 2.8947 3.1533 3.1533 3.3593 3.3593 3.4339 3.4339 3.7117 3.7117 3.7831 3.7831 3.8388 3.8388 4.1617 4.1617 5.2921 5.2921 5.4016 5.4016 5.4821 5.4821 5.6748 5.6748 5.9511 5.9511 6.1402 6.1402 12.8551 12.8551 13.3874 13.3874 14.4427 14.4427 14.7316 14.7316 16.6249 16.6249 16.9819 16.9819 k =-0.0433 0.0665 0.0793 ( 2151 PWs) bands (ev): 2.5741 2.5741 2.7404 2.7404 2.8857 2.8857 3.1508 3.1508 3.3590 3.3590 3.4440 3.4440 3.7165 3.7165 3.7784 3.7784 3.8285 3.8285 4.1647 4.1647 5.2989 5.2989 5.3976 5.3976 5.4730 5.4730 5.6677 5.6677 5.9520 5.9520 6.1359 6.1359 12.8646 12.8646 13.3651 13.3651 14.5952 14.5952 14.9079 14.9079 16.5909 16.5909 16.9525 16.9525 k =-0.0371 0.0570 0.0680 ( 2151 PWs) bands (ev): 2.5672 2.5672 2.7398 2.7398 2.8780 2.8780 3.1484 3.1484 3.3592 3.3592 3.4534 3.4534 3.7214 3.7214 3.7735 3.7735 3.8190 3.8190 4.1676 4.1676 5.3059 5.3059 5.3941 5.3941 5.4637 5.4637 5.6614 5.6614 5.9528 5.9528 6.1320 6.1320 12.8691 12.8691 13.3449 13.3449 14.7491 14.7491 15.0776 15.0776 16.5602 16.5602 16.9220 16.9220 k =-0.0309 0.0475 0.0567 ( 2155 PWs) bands (ev): 2.5608 2.5608 2.7393 2.7393 2.8717 2.8717 3.1463 3.1463 3.3597 3.3597 3.4618 3.4618 3.7262 3.7262 3.7689 3.7689 3.8102 3.8102 4.1703 4.1703 5.3131 5.3131 5.3911 5.3911 5.4546 5.4546 5.6562 5.6562 5.9537 5.9537 6.1285 6.1285 12.8705 12.8705 13.3272 13.3272 14.9005 14.9005 15.2357 15.2357 16.5341 16.5341 16.8887 16.8887 k =-0.0247 0.0380 0.0453 ( 2151 PWs) bands (ev): 2.5553 2.5553 2.7388 2.7388 2.8667 2.8667 3.1446 3.1446 3.3605 3.3605 3.4692 3.4692 3.7308 3.7308 3.7646 3.7646 3.8024 3.8024 4.1727 4.1727 5.3201 5.3201 5.3886 5.3886 5.4458 5.4458 5.6518 5.6518 5.9545 5.9545 6.1256 6.1256 12.8703 12.8703 13.3124 13.3124 15.0452 15.0452 15.3760 15.3760 16.5153 16.5153 16.8502 16.8502 k =-0.0186 0.0285 0.0340 ( 2151 PWs) bands (ev): 2.5507 2.5507 2.7385 2.7385 2.8629 2.8629 3.1432 3.1432 3.3612 3.3612 3.4752 3.4752 3.7350 3.7350 3.7611 3.7611 3.7955 3.7955 4.1746 4.1746 5.3267 5.3267 5.3866 5.3866 5.4379 5.4379 5.6485 5.6485 5.9552 5.9552 6.1233 6.1233 12.8693 12.8693 13.3007 13.3007 15.1775 15.1775 15.4901 15.4901 16.5085 16.5085 16.8039 16.8039 k =-0.0124 0.0190 0.0227 ( 2157 PWs) bands (ev): 2.5474 2.5474 2.7382 2.7382 2.8602 2.8602 3.1422 3.1422 3.3617 3.3617 3.4796 3.4796 3.7384 3.7384 3.7587 3.7587 3.7899 3.7899 4.1761 4.1761 5.3321 5.3321 5.3852 5.3852 5.4314 5.4314 5.6461 5.6461 5.9557 5.9557 6.1216 6.1216 12.8682 12.8682 13.2923 13.2923 15.2898 15.2898 15.5694 15.5694 16.5198 16.5198 16.7485 16.7485 k =-0.0062 0.0095 0.0113 ( 2149 PWs) bands (ev): 2.5453 2.5453 2.7381 2.7381 2.8586 2.8586 3.1416 3.1416 3.3621 3.3621 3.4825 3.4825 3.7406 3.7406 3.7574 3.7574 3.7861 3.7861 4.1770 4.1770 5.3359 5.3359 5.3843 5.3843 5.4270 5.4270 5.6447 5.6447 5.9560 5.9560 6.1206 6.1206 12.8674 12.8674 13.2872 13.2872 15.3698 15.3698 15.6106 15.6106 16.5520 16.5520 16.6876 16.6876 k = 0.0000 0.0000 0.0000 ( 2137 PWs) bands (ev): 2.5447 2.5447 2.7382 2.7382 2.8581 2.8581 3.1415 3.1415 3.3623 3.3623 3.4834 3.4834 3.7413 3.7413 3.7571 3.7571 3.7848 3.7848 4.1774 4.1774 5.3372 5.3372 5.3841 5.3841 5.4254 5.4254 5.6442 5.6442 5.9561 5.9561 6.1202 6.1202 12.8671 12.8671 13.2855 13.2855 15.4001 15.4001 15.6218 15.6218 16.5836 16.5836 16.6461 16.6461 k = 0.0000 0.0000 0.0000 ( 2137 PWs) bands (ev): 2.5447 2.5447 2.7382 2.7382 2.8581 2.8581 3.1415 3.1415 3.3623 3.3623 3.4834 3.4834 3.7413 3.7413 3.7571 3.7571 3.7848 3.7848 4.1774 4.1774 5.3372 5.3372 5.3841 5.3841 5.4254 5.4254 5.6442 5.6442 5.9561 5.9561 6.1202 6.1202 12.8671 12.8671 13.2855 13.2855 15.4001 15.4001 15.6218 15.6218 16.5836 16.5836 16.6461 16.6461 k = 0.0135 0.0088 0.0000 ( 2145 PWs) bands (ev): 2.5464 2.5464 2.7381 2.7381 2.8582 2.8582 3.1414 3.1414 3.3611 3.3611 3.4825 3.4825 3.7377 3.7377 3.7579 3.7579 3.7888 3.7888 4.1772 4.1772 5.3375 5.3375 5.3836 5.3836 5.4266 5.4266 5.6442 5.6442 5.9559 5.9559 6.1208 6.1208 12.7893 12.7893 13.3542 13.3542 15.3803 15.3803 15.6469 15.6469 16.4961 16.4961 16.7463 16.7463 k = 0.0270 0.0176 0.0000 ( 2133 PWs) bands (ev): 2.5515 2.5515 2.7381 2.7381 2.8585 2.8585 3.1414 3.1414 3.3577 3.3577 3.4803 3.4803 3.7292 3.7292 3.7605 3.7605 3.7983 3.7983 4.1765 4.1765 5.3382 5.3382 5.3823 5.3823 5.4298 5.4298 5.6444 5.6444 5.9551 5.9551 6.1225 6.1225 12.6267 12.6267 13.4890 13.4890 15.3351 15.3351 15.7077 15.7077 16.3999 16.3999 16.8819 16.8819 k = 0.0405 0.0264 0.0000 ( 2133 PWs) bands (ev): 2.5599 2.5599 2.7381 2.7381 2.8591 2.8591 3.1414 3.1414 3.3520 3.3520 3.4765 3.4765 3.7190 3.7190 3.7647 3.7647 3.8102 3.8102 4.1755 4.1755 5.3394 5.3394 5.3808 5.3808 5.4347 5.4347 5.6446 5.6446 5.9538 5.9538 6.1252 6.1252 12.4368 12.4368 13.6311 13.6311 15.2793 15.2793 15.7877 15.7877 16.3239 16.3239 16.8233 16.8233 k = 0.0541 0.0352 0.0000 ( 2133 PWs) bands (ev): 2.5714 2.5714 2.7380 2.7380 2.8602 2.8602 3.1413 3.1413 3.3439 3.3439 3.4714 3.4714 3.7085 3.7085 3.7703 3.7703 3.8230 3.8230 4.1740 4.1740 5.3410 5.3410 5.3795 5.3795 5.4406 5.4406 5.6449 5.6449 5.9521 5.9521 6.1290 6.1290 12.2356 12.2356 13.7629 13.7629 15.2164 15.2164 15.8812 15.8812 16.2744 16.2744 16.6725 16.6725 k = 0.0676 0.0440 0.0000 ( 2133 PWs) bands (ev): 2.5857 2.5857 2.7379 2.7379 2.8620 2.8620 3.1412 3.1412 3.3336 3.3336 3.4654 3.4654 3.6983 3.6983 3.7770 3.7770 3.8364 3.8364 4.1721 4.1721 5.3429 5.3429 5.3787 5.3787 5.4473 5.4473 5.6455 5.6455 5.9500 5.9500 6.1337 6.1337 12.0285 12.0285 13.8774 13.8774 15.1458 15.1458 15.9870 15.9870 16.2561 16.2561 16.5240 16.5240 k = 0.0811 0.0528 0.0000 ( 2149 PWs) bands (ev): 2.6021 2.6021 2.7375 2.7375 2.8650 2.8650 3.1409 3.1409 3.3212 3.3212 3.4587 3.4587 3.6887 3.6887 3.7846 3.7846 3.8499 3.8499 4.1699 4.1699 5.3449 5.3449 5.3787 5.3787 5.4542 5.4542 5.6463 5.6463 5.9476 5.9476 6.1394 6.1394 11.8180 11.8180 13.9713 13.9713 15.0661 15.0661 16.1050 16.1050 16.2715 16.2715 16.3780 16.3780 k = 0.0946 0.0616 0.0000 ( 2157 PWs) bands (ev): 2.6201 2.6201 2.7373 2.7373 2.8700 2.8700 3.1407 3.1407 3.3066 3.3066 3.4515 3.4515 3.6801 3.6801 3.7927 3.7927 3.8634 3.8634 4.1675 4.1675 5.3470 5.3470 5.3795 5.3795 5.4614 5.4614 5.6476 5.6476 5.9450 5.9450 6.1459 6.1459 11.6054 11.6054 14.0441 14.0441 14.9775 14.9775 16.2342 16.2342 16.2347 16.2347 16.3214 16.3214 k = 0.1081 0.0704 0.0000 ( 2157 PWs) bands (ev): 2.6385 2.6385 2.7371 2.7371 2.8779 2.8779 3.1404 3.1404 3.2904 3.2904 3.4441 3.4441 3.6725 3.6725 3.8010 3.8010 3.8769 3.8769 4.1649 4.1649 5.3490 5.3490 5.3814 5.3814 5.4684 5.4684 5.6493 5.6493 5.9421 5.9421 6.1533 6.1533 11.3920 11.3920 14.0972 14.0972 14.8811 14.8811 16.0940 16.0940 16.3614 16.3614 16.4163 16.4163 k = 0.1216 0.0792 0.0000 ( 2157 PWs) bands (ev): 2.6561 2.6561 2.7368 2.7368 2.8900 2.8900 3.1401 3.1401 3.2725 3.2725 3.4368 3.4368 3.6659 3.6659 3.8094 3.8094 3.8903 3.8903 4.1621 4.1621 5.3508 5.3508 5.3844 5.3844 5.4752 5.4752 5.6515 5.6515 5.9392 5.9392 6.1614 6.1614 11.1783 11.1783 14.1332 14.1332 14.7788 14.7788 15.9563 15.9563 16.4694 16.4694 16.5679 16.5679 k = 0.1351 0.0880 0.0000 ( 2153 PWs) bands (ev): 2.6713 2.6713 2.7365 2.7365 2.9077 2.9077 3.1397 3.1397 3.2533 3.2533 3.4296 3.4296 3.6605 3.6605 3.8176 3.8176 3.9035 3.9035 4.1594 4.1594 5.3522 5.3522 5.3885 5.3885 5.4816 5.4816 5.6544 5.6544 5.9362 5.9362 6.1702 6.1702 10.9649 10.9649 14.1555 14.1555 14.6725 14.6725 15.8216 15.8216 16.5831 16.5831 16.7459 16.7459 k = 0.1486 0.0968 0.0000 ( 2165 PWs) bands (ev): 2.6826 2.6826 2.7360 2.7360 2.9321 2.9321 3.1391 3.1391 3.2330 3.2330 3.4227 3.4227 3.6563 3.6563 3.8253 3.8253 3.9164 3.9164 4.1567 4.1567 5.3530 5.3530 5.3938 5.3938 5.4876 5.4876 5.6580 5.6580 5.9332 5.9332 6.1798 6.1798 10.7520 10.7520 14.1671 14.1671 14.5639 14.5639 15.6900 15.6900 16.7079 16.7079 16.9396 16.9396 k = 0.1622 0.1056 0.0000 ( 2165 PWs) bands (ev): 2.6896 2.6896 2.7356 2.7356 2.9640 2.9640 3.1384 3.1384 3.2121 3.2121 3.4164 3.4164 3.6532 3.6532 3.8323 3.8323 3.9289 3.9289 4.1542 4.1542 5.3532 5.3532 5.4002 5.4002 5.4930 5.4930 5.6624 5.6624 5.9301 5.9301 6.1900 6.1900 10.5402 10.5402 14.1709 14.1709 14.4545 14.4545 15.5616 15.5616 16.8427 16.8427 17.1459 17.1459 k = 0.1757 0.1145 0.0000 ( 2173 PWs) bands (ev): 2.6922 2.6922 2.7350 2.7350 3.0029 3.0029 3.1376 3.1376 3.1909 3.1909 3.4107 3.4107 3.6511 3.6511 3.8385 3.8385 3.9410 3.9410 4.1520 4.1520 5.3527 5.3527 5.4078 5.4078 5.4978 5.4978 5.6676 5.6676 5.9272 5.9272 6.2008 6.2008 10.3296 10.3296 14.1688 14.1688 14.3453 14.3453 15.4365 15.4365 16.9861 16.9861 17.3622 17.3622 k = 0.1892 0.1233 0.0000 ( 2173 PWs) bands (ev): 2.6909 2.6909 2.7344 2.7344 3.0480 3.0480 3.1366 3.1366 3.1702 3.1702 3.4059 3.4059 3.6501 3.6501 3.8436 3.8436 3.9528 3.9528 4.1502 4.1502 5.3515 5.3515 5.4164 5.4164 5.5019 5.5019 5.6735 5.6735 5.9242 5.9242 6.2122 6.2122 10.1205 10.1205 14.1620 14.1620 14.2379 14.2379 15.3148 15.3148 17.1372 17.1372 17.5868 17.5868 k = 0.2027 0.1321 0.0000 ( 2173 PWs) bands (ev): 2.6863 2.6863 2.7337 2.7337 3.0970 3.0970 3.1355 3.1355 3.1517 3.1517 3.4019 3.4019 3.6501 3.6501 3.8476 3.8476 3.9641 3.9641 4.1489 4.1489 5.3494 5.3494 5.4260 5.4260 5.5054 5.5054 5.6802 5.6802 5.9214 5.9214 6.2242 6.2242 9.9131 9.9131 14.1245 14.1245 14.1603 14.1603 15.1968 15.1968 17.2955 17.2955 17.8181 17.8181 k = 0.2162 0.1409 0.0000 ( 2169 PWs) bands (ev): 2.6791 2.6791 2.7330 2.7330 3.1210 3.1210 3.1341 3.1341 3.1642 3.1642 3.3988 3.3988 3.6509 3.6509 3.8502 3.8502 3.9749 3.9749 4.1482 4.1482 5.3465 5.3465 5.4366 5.4366 5.5083 5.5083 5.6876 5.6876 5.9186 5.9186 6.2367 6.2367 9.7078 9.7078 14.0233 14.0233 14.1467 14.1467 15.0825 15.0825 17.4604 17.4604 18.0545 18.0545 k = 0.2297 0.1497 0.0000 ( 2169 PWs) bands (ev): 2.6694 2.6694 2.7321 2.7321 3.1056 3.1056 3.1326 3.1326 3.2213 3.2213 3.3966 3.3966 3.6527 3.6527 3.8515 3.8515 3.9853 3.9853 4.1482 4.1482 5.3429 5.3429 5.4477 5.4477 5.5110 5.5110 5.6956 5.6956 5.9159 5.9159 6.2497 6.2497 9.5045 9.5045 13.9217 13.9217 14.1352 14.1352 14.9720 14.9720 17.6316 17.6316 18.2950 18.2950 k = 0.2432 0.1585 0.0000 ( 2177 PWs) bands (ev): 2.6577 2.6577 2.7312 2.7312 3.0881 3.0881 3.1309 3.1309 3.2855 3.2855 3.3954 3.3954 3.6554 3.6554 3.8513 3.8513 3.9952 3.9952 4.1488 4.1488 5.3386 5.3386 5.4590 5.4590 5.5137 5.5137 5.7040 5.7040 5.9133 5.9133 6.2631 6.2631 9.3035 9.3035 13.8228 13.8228 14.1234 14.1234 14.8655 14.8655 17.8087 17.8087 18.5384 18.5384 k = 0.2568 0.1673 0.0000 ( 2177 PWs) bands (ev): 2.6444 2.6444 2.7303 2.7303 3.0716 3.0716 3.1291 3.1291 3.3533 3.3533 3.3952 3.3952 3.6594 3.6594 3.8497 3.8497 4.0047 4.0047 4.1500 4.1500 5.3338 5.3338 5.4696 5.4696 5.5174 5.5174 5.7128 5.7128 5.9108 5.9108 6.2768 6.2768 9.1050 9.1050 13.7271 13.7271 14.1115 14.1115 14.7632 14.7632 17.9914 17.9914 18.7842 18.7842 k = 0.2703 0.1761 0.0000 ( 2177 PWs) bands (ev): 2.6298 2.6298 2.7293 2.7293 3.0563 3.0563 3.1272 3.1272 3.3960 3.3960 3.4232 3.4232 3.6653 3.6653 3.8468 3.8468 4.0138 4.0138 4.1519 4.1519 5.3285 5.3285 5.4782 5.4782 5.5233 5.5233 5.7218 5.7218 5.9084 5.9084 6.2909 6.2909 8.9093 8.9093 13.6350 13.6350 14.0999 14.0999 14.6652 14.6652 18.1796 18.1796 19.0313 19.0313 k = 0.2838 0.1849 0.0000 ( 2165 PWs) bands (ev): 2.6141 2.6141 2.7284 2.7284 3.0426 3.0426 3.1251 3.1251 3.3978 3.3978 3.4928 3.4928 3.6749 3.6749 3.8426 3.8426 4.0225 4.0225 4.1545 4.1545 5.3228 5.3228 5.4836 5.4836 5.5328 5.5328 5.7309 5.7309 5.9060 5.9060 6.3051 6.3051 8.7164 8.7164 13.5467 13.5467 14.0886 14.0886 14.5717 14.5717 18.3729 18.3729 19.2790 19.2790 k = 0.2973 0.1937 0.0000 ( 2169 PWs) bands (ev): 2.5976 2.5976 2.7273 2.7273 3.0302 3.0302 3.1230 3.1230 3.4004 3.4004 3.5565 3.5565 3.6933 3.6933 3.8372 3.8372 4.0309 4.0309 4.1574 4.1574 5.3168 5.3168 5.4858 5.4858 5.5459 5.5459 5.7400 5.7400 5.9038 5.9038 6.3194 6.3194 8.5266 8.5266 13.4625 13.4625 14.0777 14.0777 14.4827 14.4827 18.5709 18.5709 19.5265 19.5265 k = 0.3108 0.2025 0.0000 ( 2169 PWs) bands (ev): 2.5807 2.5807 2.7262 2.7262 3.0192 3.0192 3.1208 3.1208 3.4039 3.4039 3.6028 3.6028 3.7316 3.7316 3.8308 3.8308 4.0391 4.0391 4.1607 4.1607 5.3106 5.3106 5.4856 5.4856 5.5616 5.5616 5.7490 5.7490 5.9015 5.9015 6.3337 6.3337 8.3400 8.3401 13.3826 13.3826 14.0675 14.0675 14.3986 14.3986 18.7735 18.7735 19.5356 19.5356 k = 0.3243 0.2113 0.0000 ( 2169 PWs) bands (ev): 2.5637 2.5637 2.7251 2.7251 3.0097 3.0097 3.1186 3.1186 3.4080 3.4080 3.6270 3.6270 3.7936 3.7936 3.8235 3.8235 4.0472 4.0472 4.1642 4.1642 5.3044 5.3044 5.4841 5.4841 5.5794 5.5794 5.7578 5.7578 5.8994 5.8994 6.3478 6.3478 8.1571 8.1571 13.3072 13.3072 14.0578 14.0578 14.3194 14.3194 18.9803 18.9803 19.5210 19.5210 k = 0.3378 0.2201 0.0000 ( 2169 PWs) bands (ev): 2.5467 2.5467 2.7241 2.7241 3.0013 3.0013 3.1165 3.1165 3.4129 3.4129 3.6390 3.6390 3.8156 3.8156 3.8687 3.8687 4.0557 4.0557 4.1679 4.1679 5.2983 5.2983 5.4817 5.4817 5.5987 5.5987 5.7663 5.7663 5.8973 5.8973 6.3617 6.3617 7.9780 7.9780 13.2365 13.2365 14.0489 14.0489 14.2452 14.2452 19.1909 19.1909 19.5075 19.5075 k = 0.3514 0.2289 0.0000 ( 2177 PWs) bands (ev): 2.5303 2.5303 2.7229 2.7229 2.9940 2.9940 3.1143 3.1143 3.4181 3.4181 3.6459 3.6459 3.8070 3.8070 3.9476 3.9476 4.0661 4.0661 4.1717 4.1717 5.2922 5.2922 5.4789 5.4789 5.6194 5.6194 5.7744 5.7744 5.8952 5.8952 6.3751 6.3751 7.8031 7.8031 13.1707 13.1707 14.0406 14.0406 14.1763 14.1763 19.4050 19.4050 19.4950 19.4950 k = 0.3649 0.2377 0.0000 ( 2177 PWs) bands (ev): 2.5144 2.5144 2.7219 2.7219 2.9878 2.9878 3.1123 3.1123 3.4239 3.4239 3.6505 3.6505 3.7982 3.7982 4.0187 4.0187 4.0860 4.0860 4.1754 4.1754 5.2864 5.2864 5.4760 5.4760 5.6416 5.6416 5.7821 5.7821 5.8932 5.8932 6.3880 6.3880 7.6327 7.6327 13.1100 13.1100 14.0331 14.0331 14.1128 14.1128 19.4836 19.4836 19.6219 19.6219 k = 0.3784 0.2465 0.0000 ( 2189 PWs) bands (ev): 2.4991 2.4991 2.7208 2.7208 2.9825 2.9825 3.1104 3.1104 3.4299 3.4299 3.6538 3.6538 3.7893 3.7893 4.0545 4.0545 4.1413 4.1413 4.1790 4.1790 5.2809 5.2809 5.4730 5.4730 5.6655 5.6655 5.7894 5.7894 5.8912 5.8912 6.4003 6.4003 7.4672 7.4672 13.0545 13.0545 14.0263 14.0263 14.0549 14.0549 19.4733 19.4733 19.8412 19.8412 k = 0.3919 0.2553 0.0000 ( 2189 PWs) bands (ev): 2.4851 2.4851 2.7199 2.7199 2.9781 2.9781 3.1087 3.1087 3.4361 3.4361 3.6564 3.6564 3.7804 3.7804 4.0667 4.0667 4.1823 4.1823 4.2185 4.2185 5.2758 5.2758 5.4703 5.4703 5.6914 5.6914 5.7961 5.7961 5.8893 5.8893 6.4116 6.4116 7.3075 7.3075 13.0044 13.0044 14.0026 14.0026 14.0202 14.0202 19.4641 19.4641 20.0624 20.0624 k = 0.4054 0.2641 0.0000 ( 2197 PWs) bands (ev): 2.4724 2.4724 2.7190 2.7190 2.9744 2.9744 3.1071 3.1071 3.4423 3.4423 3.6583 3.6583 3.7717 3.7717 4.0739 4.0739 4.1854 4.1854 4.2975 4.2975 5.2711 5.2711 5.4680 5.4680 5.7197 5.7197 5.8023 5.8023 5.8874 5.8874 6.4220 6.4220 7.1541 7.1541 12.9599 12.9599 13.9561 13.9561 14.0148 14.0148 19.4556 19.4556 20.2845 20.2845 k = 0.4189 0.2729 0.0000 ( 2197 PWs) bands (ev): 2.4610 2.4610 2.7182 2.7182 2.9714 2.9714 3.1057 3.1057 3.4482 3.4482 3.6599 3.6599 3.7636 3.7636 4.0794 4.0794 4.1882 4.1882 4.3731 4.3731 5.2669 5.2669 5.4661 5.4661 5.7511 5.7511 5.8079 5.8079 5.8856 5.8856 6.4313 6.4313 7.0081 7.0081 12.9210 12.9210 13.9156 13.9156 14.0102 14.0102 19.4485 19.4485 20.5066 20.5066 k = 0.4324 0.2817 0.0000 ( 2197 PWs) bands (ev): 2.4512 2.4512 2.7175 2.7175 2.9689 2.9689 3.1045 3.1045 3.4538 3.4538 3.6610 3.6610 3.7561 3.7561 4.0838 4.0838 4.1907 4.1907 4.4427 4.4427 5.2633 5.2633 5.4647 5.4647 5.7858 5.7858 5.8129 5.8129 5.8839 5.8839 6.4394 6.4394 6.8710 6.8710 12.8879 12.8879 13.8811 13.8811 14.0063 14.0063 19.4425 19.4425 20.7275 20.7275 k = 0.4459 0.2905 0.0000 ( 2185 PWs) bands (ev): 2.4431 2.4431 2.7171 2.7171 2.9672 2.9672 3.1036 3.1036 3.4588 3.4588 3.6619 3.6619 3.7496 3.7496 4.0874 4.0874 4.1928 4.1928 4.5039 4.5039 5.2603 5.2603 5.4638 5.4638 5.8169 5.8169 5.8242 5.8242 5.8823 5.8823 6.4462 6.4462 6.7448 6.7448 12.8606 12.8606 13.8528 13.8528 14.0032 14.0032 19.4376 19.4376 20.9451 20.9451 k = 0.4595 0.2993 0.0000 ( 2185 PWs) bands (ev): 2.4367 2.4367 2.7166 2.7166 2.9657 2.9657 3.1028 3.1028 3.4630 3.4630 3.6626 3.6626 3.7442 3.7442 4.0901 4.0901 4.1944 4.1944 4.5544 4.5544 5.2579 5.2579 5.4633 5.4633 5.8204 5.8204 5.8645 5.8645 5.8810 5.8810 6.4516 6.4516 6.6327 6.6327 12.8394 12.8394 13.8306 13.8306 14.0007 14.0007 19.4338 19.4338 21.1561 21.1561 k = 0.4730 0.3081 0.0000 ( 2185 PWs) bands (ev): 2.4320 2.4320 2.7163 2.7163 2.9647 2.9647 3.1023 3.1023 3.4661 3.4661 3.6630 3.6630 3.7402 3.7402 4.0921 4.0921 4.1956 4.1956 4.5922 4.5922 5.2562 5.2562 5.4631 5.4631 5.8230 5.8230 5.8800 5.8800 5.9039 5.9039 6.4554 6.4554 6.5403 6.5403 12.8241 12.8241 13.8148 13.8148 13.9990 13.9990 19.4311 19.4311 21.3535 21.3535 k = 0.4865 0.3169 0.0000 ( 2185 PWs) bands (ev): 2.4292 2.4292 2.7161 2.7161 2.9641 2.9641 3.1019 3.1019 3.4680 3.4680 3.6633 3.6633 3.7377 3.7377 4.0933 4.0933 4.1963 4.1963 4.6156 4.6156 5.2551 5.2551 5.4631 5.4631 5.8245 5.8245 5.8793 5.8793 5.9351 5.9351 6.4578 6.4578 6.4766 6.4766 12.8150 12.8150 13.8052 13.8052 13.9979 13.9979 19.4295 19.4295 21.5183 21.5183 k = 0.5000 0.3257 0.0000 ( 2184 PWs) bands (ev): 2.4283 2.4283 2.7160 2.7160 2.9639 2.9639 3.1018 3.1018 3.4687 3.4687 3.6633 3.6633 3.7369 3.7369 4.0937 4.0937 4.1965 4.1965 4.6235 4.6235 5.2548 5.2548 5.4631 5.4631 5.8250 5.8250 5.8791 5.8791 5.9475 5.9475 6.4533 6.4533 6.4586 6.4586 12.8119 12.8119 13.8021 13.8021 13.9976 13.9976 19.4290 19.4290 21.5934 21.5934 k = 0.5000 0.3257 0.0000 ( 2184 PWs) bands (ev): 2.4283 2.4283 2.7160 2.7160 2.9639 2.9639 3.1018 3.1018 3.4687 3.4687 3.6633 3.6633 3.7369 3.7369 4.0937 4.0937 4.1965 4.1965 4.6235 4.6235 5.2548 5.2548 5.4631 5.4631 5.8250 5.8250 5.8791 5.8791 5.9475 5.9475 6.4533 6.4533 6.4586 6.4586 12.8119 12.8119 13.8021 13.8021 13.9976 13.9976 19.4290 19.4290 21.5934 21.5934 k = 0.4938 0.3352 0.0113 ( 2184 PWs) bands (ev): 2.4285 2.4285 2.7161 2.7161 2.9635 2.9635 3.1019 3.1019 3.4661 3.4661 3.6644 3.6644 3.7378 3.7378 4.0945 4.0945 4.1964 4.1964 4.6255 4.6255 5.2543 5.2543 5.4645 5.4645 5.8248 5.8248 5.8793 5.8793 5.9482 5.9482 6.4523 6.4523 6.4589 6.4589 12.7966 12.7966 13.7301 13.7301 14.0852 14.0852 19.4346 19.4346 21.5834 21.5834 k = 0.4877 0.3446 0.0225 ( 2180 PWs) bands (ev): 2.4289 2.4289 2.7165 2.7165 2.9622 2.9622 3.1021 3.1021 3.4587 3.4587 3.6667 3.6667 3.7409 3.7409 4.0971 4.0971 4.1960 4.1960 4.6313 4.6313 5.2531 5.2531 5.4687 5.4687 5.8241 5.8241 5.8802 5.8802 5.9505 5.9505 6.4499 6.4499 6.4596 6.4596 12.7491 12.7491 13.6270 13.6270 14.2372 14.2372 19.4517 19.4517 21.5536 21.5536 k = 0.4815 0.3541 0.0338 ( 2176 PWs) bands (ev): 2.4297 2.4297 2.7170 2.7170 2.9600 2.9600 3.1024 3.1024 3.4473 3.4473 3.6690 3.6690 3.7468 3.7468 4.1012 4.1012 4.1954 4.1954 4.6409 4.6409 5.2511 5.2511 5.4754 5.4754 5.8230 5.8230 5.8818 5.8818 5.9543 5.9543 6.4465 6.4465 6.4602 6.4602 12.6668 12.6668 13.5464 13.5464 14.4020 14.4020 19.4805 19.4805 21.5042 21.5042 k = 0.4754 0.3635 0.0451 ( 2178 PWs) bands (ev): 2.4308 2.4308 2.7177 2.7177 2.9570 2.9570 3.1029 3.1029 3.4329 3.4329 3.6696 3.6696 3.7561 3.7561 4.1069 4.1069 4.1946 4.1946 4.6543 4.6543 5.2488 5.2488 5.4842 5.4842 5.8214 5.8214 5.8843 5.8843 5.9597 5.9597 6.4421 6.4421 6.4607 6.4607 12.5511 12.5511 13.4962 13.4962 14.5705 14.5705 19.5207 19.5207 21.4358 21.4358 k = 0.4692 0.3730 0.0564 ( 2178 PWs) bands (ev): 2.4322 2.4322 2.7186 2.7186 2.9533 2.9533 3.1036 3.1036 3.4166 3.4166 3.6679 3.6679 3.7686 3.7686 4.1140 4.1140 4.1935 4.1935 4.6713 4.6713 5.2463 5.2463 5.4945 5.4945 5.8194 5.8194 5.8878 5.8878 5.9666 5.9666 6.4369 6.4369 6.4612 6.4612 12.4079 12.4079 13.4738 13.4738 14.7388 14.7388 19.5727 19.5727 21.3492 21.3492 k = 0.4631 0.3824 0.0676 ( 2186 PWs) bands (ev): 2.4338 2.4338 2.7195 2.7195 2.9488 2.9488 3.1044 3.1044 3.3990 3.3990 3.6639 3.6639 3.7837 3.7837 4.1222 4.1222 4.1921 4.1921 4.6917 4.6917 5.2439 5.2439 5.5059 5.5059 5.8170 5.8170 5.8925 5.8925 5.9754 5.9754 6.4308 6.4308 6.4616 6.4616 12.2450 12.2450 13.4734 13.4734 14.9048 14.9048 19.6368 19.6368 21.2457 21.2457 k = 0.4569 0.3919 0.0789 ( 2182 PWs) bands (ev): 2.4358 2.4358 2.7206 2.7206 2.9437 2.9437 3.1056 3.1056 3.3806 3.3806 3.6581 3.6581 3.8006 3.8006 4.1316 4.1316 4.1906 4.1906 4.7154 4.7154 5.2418 5.2418 5.5177 5.5177 5.8143 5.8143 5.8984 5.8984 5.9862 5.9862 6.4240 6.4240 6.4621 6.4621 12.0690 12.0690 13.4895 13.4895 15.0671 15.0671 19.7130 19.7130 21.1269 21.1269 k = 0.4508 0.4013 0.0902 ( 2178 PWs) bands (ev): 2.4381 2.4381 2.7217 2.7217 2.9381 2.9381 3.1071 3.1071 3.3619 3.3619 3.6508 3.6508 3.8186 3.8186 4.1418 4.1418 4.1888 4.1888 4.7422 4.7422 5.2402 5.2402 5.5295 5.5295 5.8113 5.8113 5.9055 5.9055 5.9994 5.9994 6.4166 6.4166 6.4627 6.4627 11.8846 11.8846 13.5184 13.5184 15.2246 15.2246 19.8017 19.8017 20.9948 20.9948 k = 0.4446 0.4108 0.1015 ( 2188 PWs) bands (ev): 2.4406 2.4406 2.7227 2.7227 2.9320 2.9320 3.1088 3.1088 3.3429 3.3429 3.6425 3.6425 3.8372 3.8372 4.1526 4.1526 4.1868 4.1868 4.7720 4.7720 5.2392 5.2392 5.5407 5.5407 5.8082 5.8082 5.9135 5.9135 6.0155 6.0155 6.4086 6.4086 6.4636 6.4636 11.6948 11.6948 13.5576 13.5576 15.3764 15.3764 19.9027 19.9027 20.8513 20.8513 k = 0.4385 0.4202 0.1127 ( 2188 PWs) bands (ev): 2.4434 2.4434 2.7238 2.7238 2.9256 2.9256 3.1110 3.1110 3.3240 3.3240 3.6333 3.6333 3.8563 3.8563 4.1637 4.1637 4.1845 4.1845 4.8044 4.8044 5.2388 5.2388 5.5511 5.5511 5.8049 5.8049 5.9220 5.9220 6.0351 6.0351 6.4002 6.4002 6.4648 6.4648 11.5017 11.5017 13.6053 13.6053 15.5218 15.5218 20.0159 20.0159 20.6986 20.6986 k = 0.4323 0.4297 0.1240 ( 2184 PWs) bands (ev): 2.4464 2.4464 2.7249 2.7249 2.9189 2.9189 3.1136 3.1136 3.3054 3.3054 3.6237 3.6237 3.8755 3.8755 4.1749 4.1749 4.1820 4.1820 4.8391 4.8391 5.2393 5.2393 5.5604 5.5604 5.8018 5.8018 5.9308 5.9308 6.0586 6.0586 6.3915 6.3915 6.4666 6.4666 11.3067 11.3067 13.6605 13.6605 15.6606 15.6606 20.1409 20.1409 20.5386 20.5386 k = 0.4261 0.4391 0.1353 ( 2184 PWs) bands (ev): 2.4496 2.4496 2.7258 2.7258 2.9121 2.9121 3.1167 3.1167 3.2871 3.2871 3.6137 3.6137 3.8946 3.8946 4.1785 4.1785 4.1868 4.1868 4.8759 4.8759 5.2405 5.2405 5.5685 5.5685 5.7989 5.7989 5.9395 5.9395 6.0860 6.0860 6.3829 6.3829 6.4691 6.4691 11.1108 11.1108 13.7225 13.7225 15.7923 15.7923 20.2724 20.2724 20.3771 20.3771 k = 0.4200 0.4486 0.1466 ( 2188 PWs) bands (ev): 2.4531 2.4531 2.7264 2.7264 2.9053 2.9053 3.1201 3.1201 3.2692 3.2692 3.6036 3.6036 3.9135 3.9135 4.1753 4.1753 4.1977 4.1977 4.9144 4.9144 5.2425 5.2425 5.5754 5.5754 5.7965 5.7965 5.9478 5.9478 6.1172 6.1172 6.3745 6.3745 6.4728 6.4728 10.9147 10.9147 13.7907 13.7907 15.9170 15.9170 20.1962 20.1962 20.4248 20.4248 k = 0.4138 0.4580 0.1578 ( 2188 PWs) bands (ev): 2.4567 2.4567 2.7270 2.7270 2.8984 2.8984 3.1241 3.1241 3.2517 3.2517 3.5935 3.5935 3.9321 3.9321 4.1715 4.1715 4.2083 4.2083 4.9540 4.9540 5.2454 5.2454 5.5812 5.5812 5.7948 5.7948 5.9557 5.9557 6.1516 6.1516 6.3670 6.3670 6.4779 6.4779 10.7191 10.7191 13.8647 13.8647 16.0347 16.0347 20.0233 20.0233 20.4963 20.4963 k = 0.4077 0.4674 0.1691 ( 2188 PWs) bands (ev): 2.4606 2.4606 2.7274 2.7274 2.8917 2.8917 3.1285 3.1285 3.2349 3.2349 3.5836 3.5836 3.9504 3.9504 4.1672 4.1672 4.2184 4.2184 4.9941 4.9941 5.2491 5.2491 5.5860 5.5860 5.7941 5.7941 5.9631 5.9631 6.1878 6.1878 6.3610 6.3610 6.4853 6.4853 10.5243 10.5243 13.9441 13.9441 16.1456 16.1456 19.8469 19.8469 20.3603 20.3603 k = 0.4015 0.4769 0.1804 ( 2190 PWs) bands (ev): 2.4646 2.4646 2.7275 2.7275 2.8851 2.8851 3.1332 3.1332 3.2186 3.2186 3.5741 3.5741 3.9682 3.9682 4.1624 4.1624 4.2278 4.2278 5.0341 5.0341 5.2537 5.2537 5.5900 5.5900 5.7949 5.7949 5.9700 5.9700 6.2233 6.2233 6.3582 6.3582 6.4959 6.4959 10.3308 10.3308 14.0287 14.0287 16.2499 16.2499 19.6687 19.6687 20.1949 20.1949 k = 0.3954 0.4863 0.1917 ( 2182 PWs) bands (ev): 2.4687 2.4687 2.7275 2.7275 2.8788 2.8788 3.1385 3.1385 3.2030 3.2030 3.5650 3.5650 3.9855 3.9855 4.1572 4.1572 4.2364 4.2364 5.0731 5.0731 5.2592 5.2592 5.5933 5.5933 5.7976 5.7976 5.9763 5.9763 6.2535 6.2535 6.3620 6.3620 6.5113 6.5113 10.1389 10.1389 14.1181 14.1181 16.3481 16.3481 19.4896 19.4896 20.0258 20.0258 k = 0.3892 0.4958 0.2029 ( 2178 PWs) bands (ev): 2.4730 2.4730 2.7272 2.7272 2.8728 2.8728 3.1440 3.1440 3.1880 3.1880 3.5566 3.5566 4.0021 4.0021 4.1515 4.1515 4.2441 4.2441 5.1101 5.1101 5.2656 5.2656 5.5961 5.5961 5.8026 5.8026 5.9822 5.9822 6.2723 6.2723 6.3763 6.3763 6.5337 6.5337 9.9490 9.9490 14.2122 14.2122 16.4405 16.4405 19.3103 19.3103 19.8557 19.8557 k = 0.3831 0.5052 0.2142 ( 2178 PWs) bands (ev): 2.4773 2.4773 2.7267 2.7267 2.8672 2.8672 3.1497 3.1497 3.1738 3.1738 3.5488 3.5488 4.0178 4.0178 4.1454 4.1454 4.2508 4.2508 5.1441 5.1441 5.2730 5.2730 5.5983 5.5983 5.8105 5.8105 5.9875 5.9875 6.2792 6.2792 6.3998 6.3998 6.5656 6.5656 9.7613 9.7613 14.3107 14.3107 16.5274 16.5274 19.1314 19.1314 19.6859 19.6859 k = 0.3769 0.5147 0.2255 ( 2172 PWs) bands (ev): 2.4818 2.4818 2.7261 2.7261 2.8620 2.8620 3.1551 3.1551 3.1608 3.1608 3.5419 3.5419 4.0325 4.0325 4.1392 4.1392 4.2566 4.2566 5.1741 5.1741 5.2816 5.2816 5.5999 5.5999 5.8215 5.8215 5.9923 5.9923 6.2792 6.2792 6.4265 6.4265 6.6082 6.6082 9.5760 9.5760 14.4135 14.4135 16.6093 16.6093 18.9534 18.9534 19.5170 19.5170 k = 0.3708 0.5241 0.2368 ( 2172 PWs) bands (ev): 2.4863 2.4863 2.7252 2.7252 2.8573 2.8573 3.1469 3.1469 3.1622 3.1622 3.5360 3.5360 4.0457 4.0457 4.1330 4.1330 4.2614 4.2614 5.1991 5.1991 5.2915 5.2915 5.6008 5.6008 5.8357 5.8357 5.9967 5.9967 6.2763 6.2763 6.4538 6.4538 6.6610 6.6610 9.3937 9.3937 14.5203 14.5203 16.6864 16.6864 18.7765 18.7765 19.3496 19.3496 k = 0.3646 0.5336 0.2480 ( 2172 PWs) bands (ev): 2.4908 2.4908 2.7242 2.7242 2.8530 2.8530 3.1350 3.1350 3.1681 3.1681 3.5311 3.5311 4.0565 4.0565 4.1278 4.1278 4.2651 4.2651 5.2188 5.2188 5.3026 5.3026 5.6010 5.6010 5.8525 5.8525 6.0007 6.0007 6.2723 6.2723 6.4822 6.4822 6.7221 6.7221 9.2146 9.2146 14.6309 14.6309 16.7589 16.7589 18.6014 18.6014 19.1844 19.1844 k = 0.3584 0.5430 0.2593 ( 2178 PWs) bands (ev): 2.4954 2.4954 2.7231 2.7231 2.8493 2.8493 3.1237 3.1237 3.1741 3.1741 3.5274 3.5274 4.0635 4.0635 4.1250 4.1250 4.2678 4.2678 5.2332 5.2332 5.3146 5.3146 5.6004 5.6004 5.8710 5.8710 6.0046 6.0046 6.2681 6.2681 6.5139 6.5139 6.7893 6.7893 9.0392 9.0392 14.7453 14.7453 16.8269 16.8269 18.4282 18.4282 19.0220 19.0220 k = 0.3523 0.5525 0.2706 ( 2178 PWs) bands (ev): 2.4999 2.4999 2.7220 2.7220 2.8461 2.8461 3.1131 3.1131 3.1799 3.1799 3.5248 3.5248 4.0652 4.0652 4.1260 4.1260 4.2696 4.2696 5.2431 5.2431 5.3267 5.3267 5.5990 5.5990 5.8898 5.8898 6.0085 6.0085 6.2640 6.2640 6.5506 6.5506 6.8611 6.8611 8.8680 8.8680 14.8631 14.8631 16.8899 16.8899 18.2576 18.2576 18.8633 18.8633 k = 0.3461 0.5619 0.2819 ( 2180 PWs) bands (ev): 2.5045 2.5045 2.7208 2.7208 2.8435 2.8435 3.1034 3.1034 3.1854 3.1854 3.5236 3.5236 4.0612 4.0612 4.1312 4.1312 4.2704 4.2704 5.2491 5.2491 5.3386 5.3386 5.5969 5.5969 5.9071 5.9071 6.0128 6.0128 6.2601 6.2601 6.5939 6.5939 6.9359 6.9359 8.7019 8.7019 14.9843 14.9843 16.9475 16.9475 18.0899 18.0899 18.7093 18.7093 k = 0.3400 0.5714 0.2931 ( 2174 PWs) bands (ev): 2.5090 2.5090 2.7198 2.7198 2.8415 2.8415 3.0945 3.0945 3.1906 3.1906 3.5236 3.5236 4.0533 4.0533 4.1389 4.1389 4.2702 4.2702 5.2520 5.2520 5.3500 5.3500 5.5941 5.5941 5.9214 5.9214 6.0179 6.0179 6.2566 6.2566 6.6451 6.6451 7.0122 7.0122 8.5421 8.5421 15.1086 15.1086 16.9981 16.9981 17.9260 17.9260 18.5615 18.5615 k = 0.3338 0.5808 0.3044 ( 2162 PWs) bands (ev): 2.5136 2.5136 2.7188 2.7188 2.8400 2.8400 3.0864 3.0864 3.1956 3.1956 3.5251 3.5251 4.0427 4.0427 4.1478 4.1478 4.2692 4.2692 5.2520 5.2520 5.3609 5.3609 5.5908 5.5908 5.9316 5.9316 6.0239 6.0239 6.2533 6.2533 6.7046 6.7046 7.0878 7.0878 8.3906 8.3906 15.2359 15.2359 17.0393 17.0393 17.7669 17.7669 18.4220 18.4220 k = 0.3277 0.5903 0.3157 ( 2172 PWs) bands (ev): 2.5180 2.5180 2.7178 2.7178 2.8391 2.8391 3.0791 3.0791 3.2000 3.2000 3.5277 3.5277 4.0304 4.0304 4.1568 4.1568 4.2672 4.2672 5.2494 5.2494 5.3715 5.3715 5.5871 5.5871 5.9377 5.9377 6.0304 6.0304 6.2501 6.2501 6.7726 6.7726 7.1596 7.1596 8.2505 8.2505 15.3660 15.3660 17.0666 17.0666 17.6146 17.6146 18.2939 18.2939 k = 0.3215 0.5997 0.3270 ( 2172 PWs) bands (ev): 2.5224 2.5224 2.7170 2.7170 2.8388 2.8388 3.0726 3.0726 3.2041 3.2041 3.5317 3.5317 4.0168 4.0168 4.1655 4.1655 4.2645 4.2645 5.2444 5.2444 5.3819 5.3819 5.5829 5.5829 5.9400 5.9400 6.0368 6.0368 6.2472 6.2472 6.8489 6.8489 7.2218 7.2218 8.1277 8.1277 15.4984 15.4984 17.0720 17.0720 17.4733 17.4733 18.1819 18.1819 k = 0.3154 0.6092 0.3382 ( 2168 PWs) bands (ev): 2.5267 2.5267 2.7164 2.7164 2.8390 2.8390 3.0670 3.0670 3.2078 3.2078 3.5368 3.5368 4.0023 4.0023 4.1738 4.1738 4.2610 4.2610 5.2372 5.2372 5.3921 5.3921 5.5783 5.5783 5.9395 5.9395 6.0422 6.0422 6.2443 6.2443 6.9329 6.9329 7.2646 7.2646 8.0322 8.0322 15.6331 15.6331 17.0435 17.0435 17.3497 17.3497 18.0918 18.0918 k = 0.3092 0.6186 0.3495 ( 2168 PWs) bands (ev): 2.5310 2.5310 2.7159 2.7159 2.8399 2.8399 3.0621 3.0621 3.2111 3.2111 3.5430 3.5430 3.9870 3.9870 4.1815 4.1815 4.2568 4.2568 5.2277 5.2277 5.4022 5.4022 5.5733 5.5733 5.9368 5.9368 6.0462 6.0462 6.2416 6.2416 7.0236 7.0236 7.2746 7.2746 7.9780 7.9780 15.7694 15.7694 16.9718 16.9718 17.2477 17.2477 18.0299 18.0299 k = 0.3031 0.6280 0.3608 ( 2178 PWs) bands (ev): 2.5352 2.5352 2.7155 2.7155 2.8412 2.8412 3.0580 3.0580 3.2141 3.2141 3.5502 3.5502 3.9711 3.9711 4.1883 4.1883 4.2518 4.2518 5.2161 5.2161 5.4122 5.4122 5.5679 5.5679 5.9325 5.9325 6.0485 6.0485 6.2391 6.2391 7.1185 7.1185 7.2447 7.2447 7.9744 7.9744 15.9064 15.9064 16.8657 16.8657 17.1567 17.1567 17.9990 17.9990 k = 0.3031 0.6280 0.3608 ( 2178 PWs) bands (ev): 2.5352 2.5352 2.7155 2.7155 2.8412 2.8412 3.0580 3.0580 3.2141 3.2141 3.5502 3.5502 3.9711 3.9711 4.1883 4.1883 4.2518 4.2518 5.2161 5.2161 5.4122 5.4122 5.5679 5.5679 5.9325 5.9325 6.0485 6.0485 6.2391 6.2391 7.1185 7.1185 7.2447 7.2447 7.9744 7.9744 15.9064 15.9064 16.8657 16.8657 17.1567 17.1567 17.9990 17.9990 k = 0.2886 0.6242 0.3654 ( 2175 PWs) bands (ev): 2.5374 2.5374 2.7155 2.7155 2.8421 2.8421 3.0568 3.0568 3.2156 3.2156 3.5537 3.5537 3.9638 3.9638 4.1905 4.1905 4.2492 4.2492 5.2090 5.2090 5.4137 5.4137 5.5683 5.5683 5.9300 5.9300 6.0487 6.0487 6.2376 6.2376 7.1321 7.1321 7.2414 7.2414 8.0005 8.0005 15.9633 15.9633 16.7393 16.7393 17.1841 17.1841 18.0069 18.0069 k = 0.2742 0.6203 0.3701 ( 2173 PWs) bands (ev): 2.5404 2.5404 2.7154 2.7154 2.8433 2.8433 3.0560 3.0560 3.2178 3.2178 3.5579 3.5579 3.9554 3.9554 4.1916 4.1916 4.2457 4.2457 5.1977 5.1977 5.4108 5.4108 5.5738 5.5738 5.9264 5.9264 6.0485 6.0485 6.2355 6.2355 7.1143 7.1143 7.2493 7.2493 8.0626 8.0626 16.0193 16.0193 16.5371 16.5371 17.2692 17.2692 18.0358 18.0358 k = 0.2598 0.6164 0.3747 ( 2172 PWs) bands (ev): 2.5442 2.5442 2.7153 2.7153 2.8450 2.8450 3.0557 3.0557 3.2206 3.2206 3.5626 3.5626 3.9457 3.9457 4.1910 4.1910 4.2420 4.2420 5.1821 5.1821 5.4054 5.4054 5.5831 5.5831 5.9219 5.9219 6.0478 6.0478 6.2330 6.2330 7.0903 7.0903 7.2458 7.2458 8.1569 8.1569 16.0595 16.0595 16.3300 16.3300 17.3630 17.3630 18.0786 18.0787 k = 0.2453 0.6125 0.3793 ( 2175 PWs) bands (ev): 2.5487 2.5487 2.7152 2.7152 2.8472 2.8472 3.0558 3.0558 3.2242 3.2242 3.5679 3.5679 3.9347 3.9347 4.1883 4.1883 4.2386 4.2386 5.1623 5.1623 5.3993 5.3993 5.5947 5.5947 5.9164 5.9164 6.0470 6.0470 6.2304 6.2304 7.0676 7.0676 7.2300 7.2300 8.2761 8.2761 15.9833 15.9833 16.2327 16.2327 17.4548 17.4548 18.1313 18.1313 k = 0.2309 0.6087 0.3839 ( 2173 PWs) bands (ev): 2.5537 2.5537 2.7150 2.7150 2.8499 2.8499 3.0564 3.0564 3.2286 3.2286 3.5736 3.5736 3.9224 3.9224 4.1832 4.1832 4.2362 4.2362 5.1386 5.1386 5.3938 5.3938 5.6074 5.6074 5.9102 5.9102 6.0459 6.0459 6.2280 6.2280 7.0478 7.0478 7.2060 7.2060 8.4134 8.4134 15.7683 15.7683 16.2728 16.2728 17.5418 17.5418 18.1904 18.1904 k = 0.2165 0.6048 0.3886 ( 2171 PWs) bands (ev): 2.5591 2.5591 2.7148 2.7148 2.8533 2.8533 3.0574 3.0574 3.2337 3.2337 3.5796 3.5796 3.9087 3.9087 4.1757 4.1757 4.2350 4.2350 5.1116 5.1116 5.3896 5.3896 5.6203 5.6203 5.9034 5.9034 6.0446 6.0446 6.2259 6.2259 7.0308 7.0308 7.1781 7.1781 8.5637 8.5637 15.5271 15.5271 16.3398 16.3398 17.6230 17.6230 18.2528 18.2528 k = 0.2020 0.6009 0.3932 ( 2171 PWs) bands (ev): 2.5648 2.5648 2.7146 2.7146 2.8573 2.8573 3.0587 3.0587 3.2398 3.2398 3.5858 3.5858 3.8936 3.8936 4.1663 4.1663 4.2347 4.2347 5.0822 5.0822 5.3869 5.3869 5.6327 5.6327 5.8962 5.8962 6.0433 6.0433 6.2241 6.2241 7.0165 7.0165 7.1489 7.1489 8.7236 8.7236 15.2807 15.2807 16.4145 16.4145 17.6988 17.6988 18.3149 18.3149 k = 0.1876 0.5970 0.3978 ( 2173 PWs) bands (ev): 2.5705 2.5705 2.7143 2.7143 2.8620 2.8620 3.0603 3.0603 3.2467 3.2467 3.5918 3.5918 3.8772 3.8772 4.1556 4.1556 4.2351 4.2351 5.0511 5.0511 5.3856 5.3856 5.6443 5.6443 5.8890 5.8890 6.0418 6.0418 6.2227 6.2227 7.0045 7.0045 7.1202 7.1202 8.8907 8.8907 15.0333 15.0333 16.4934 16.4934 17.7698 17.7698 18.3727 18.3727 k = 0.1732 0.5931 0.4024 ( 2175 PWs) bands (ev): 2.5761 2.5761 2.7140 2.7140 2.8675 2.8675 3.0622 3.0622 3.2546 3.2546 3.5975 3.5975 3.8595 3.8595 4.1443 4.1443 4.2360 4.2360 5.0192 5.0192 5.3855 5.3855 5.6547 5.6547 5.8820 5.8820 6.0403 6.0403 6.2217 6.2217 6.9943 6.9943 7.0931 7.0931 9.0635 9.0635 14.7866 14.7866 16.5755 16.5755 17.8369 17.8369 18.4217 18.4218 k = 0.1587 0.5893 0.4071 ( 2175 PWs) bands (ev): 2.5815 2.5815 2.7137 2.7137 2.8737 2.8737 3.0643 3.0643 3.2635 3.2635 3.6023 3.6023 3.8410 3.8410 4.1328 4.1328 4.2371 4.2371 4.9872 4.9872 5.3865 5.3865 5.6635 5.6635 5.8756 5.8756 6.0388 6.0388 6.2210 6.2210 6.9852 6.9852 7.0685 7.0685 9.2407 9.2407 14.5419 14.5419 16.6602 16.6602 17.9008 17.9008 18.4580 18.4580 k = 0.1443 0.5854 0.4117 ( 2177 PWs) bands (ev): 2.5865 2.5865 2.7134 2.7134 2.8806 2.8806 3.0666 3.0666 3.2734 3.2734 3.6059 3.6059 3.8219 3.8219 4.1216 4.1216 4.2384 4.2384 4.9558 4.9558 5.3883 5.3883 5.6705 5.6705 5.8701 5.8701 6.0372 6.0372 6.2206 6.2206 6.9769 6.9769 7.0470 7.0470 9.4213 9.4213 14.3001 14.3001 16.7469 16.7469 17.9622 17.9622 18.4779 18.4779 k = 0.1299 0.5815 0.4163 ( 2175 PWs) bands (ev): 2.5911 2.5911 2.7130 2.7130 2.8881 2.8881 3.0689 3.0689 3.2844 3.2844 3.6075 3.6075 3.8031 3.8031 4.1111 4.1111 4.2398 4.2398 4.9255 4.9255 5.3909 5.3909 5.6756 5.6756 5.8658 5.8658 6.0355 6.0355 6.2204 6.2204 6.9686 6.9686 7.0290 7.0290 9.6041 9.6041 14.0620 14.0620 16.8354 16.8354 18.0214 18.0214 18.4798 18.4798 k = 0.1154 0.5776 0.4210 ( 2175 PWs) bands (ev): 2.5952 2.5952 2.7127 2.7127 2.8960 2.8960 3.0713 3.0713 3.2965 3.2965 3.6061 3.6061 3.7855 3.7855 4.1015 4.1015 4.2412 4.2412 4.8968 4.8968 5.3939 5.3939 5.6788 5.6788 5.8627 5.8627 6.0339 6.0339 6.2204 6.2204 6.9599 6.9599 7.0149 7.0149 9.7880 9.7880 13.8288 13.8288 16.9252 16.9252 18.0784 18.0784 18.4638 18.4638 k = 0.1010 0.5738 0.4256 ( 2181 PWs) bands (ev): 2.5986 2.5986 2.7124 2.7124 2.9040 2.9040 3.0736 3.0736 3.3099 3.3099 3.6010 3.6010 3.7703 3.7703 4.0928 4.0928 4.2425 4.2425 4.8703 4.8703 5.3972 5.3972 5.6802 5.6802 5.8609 5.8609 6.0323 6.0323 6.2205 6.2205 6.9507 6.9507 7.0047 7.0047 9.9716 9.9716 13.6019 13.6019 17.0156 17.0156 18.1320 18.1320 18.4329 18.4329 k = 0.0866 0.5699 0.4302 ( 2184 PWs) bands (ev): 2.6016 2.6016 2.7121 2.7121 2.9117 2.9117 3.0760 3.0760 3.3244 3.3244 3.5914 3.5914 3.7582 3.7582 4.0853 4.0853 4.2437 4.2437 4.8463 4.8463 5.4006 5.4006 5.6800 5.6800 5.8602 5.8602 6.0308 6.0308 6.2207 6.2207 6.9415 6.9415 6.9975 6.9975 10.1528 10.1528 13.3831 13.3831 17.1060 17.1060 18.1784 18.1784 18.3942 18.3942 k = 0.0722 0.5660 0.4348 ( 2182 PWs) bands (ev): 2.6040 2.6040 2.7118 2.7118 2.9190 2.9190 3.0782 3.0782 3.3402 3.3402 3.5773 3.5773 3.7498 3.7498 4.0791 4.0791 4.2449 4.2449 4.8252 4.8252 5.4040 5.4040 5.6788 5.6788 5.8604 5.8604 6.0293 6.0293 6.2209 6.2209 6.9328 6.9328 6.9927 6.9927 10.3288 10.3288 13.1753 13.1753 17.1952 17.1952 18.2042 18.2042 18.3647 18.3647 k = 0.0577 0.5621 0.4395 ( 2179 PWs) bands (ev): 2.6059 2.6059 2.7116 2.7116 2.9255 2.9255 3.0802 3.0802 3.3570 3.3570 3.5597 3.5597 3.7444 3.7444 4.0740 4.0740 4.2459 4.2459 4.8074 4.8074 5.4071 5.4071 5.6770 5.6770 5.8611 5.8611 6.0280 6.0280 6.2212 6.2212 6.9253 6.9253 6.9895 6.9895 10.4954 10.4954 12.9829 12.9829 17.2815 17.2815 18.1871 18.1871 18.3707 18.3707 k = 0.0433 0.5582 0.4441 ( 2177 PWs) bands (ev): 2.6074 2.6074 2.7115 2.7115 2.9309 2.9309 3.0818 3.0818 3.3744 3.3744 3.5402 3.5402 3.7414 3.7414 4.0701 4.0701 4.2468 4.2468 4.7933 4.7933 5.4098 5.4098 5.6749 5.6749 5.8621 5.8621 6.0269 6.0269 6.2214 6.2214 6.9193 6.9193 6.9874 6.9874 10.6458 10.6458 12.8123 12.8123 17.3619 17.3619 18.1385 18.1385 18.4043 18.4043 k = 0.0289 0.5544 0.4487 ( 2177 PWs) bands (ev): 2.6084 2.6084 2.7113 2.7113 2.9349 2.9349 3.0831 3.0831 3.3914 3.3914 3.5208 3.5208 3.7399 3.7399 4.0674 4.0674 4.2474 4.2474 4.7829 4.7829 5.4118 5.4118 5.6732 5.6732 5.8630 5.8630 6.0261 6.0261 6.2216 6.2216 6.9149 6.9149 6.9860 6.9860 10.7699 10.7699 12.6738 12.6738 17.4314 17.4314 18.0847 18.0847 18.4431 18.4431 k = 0.0144 0.5505 0.4534 ( 2180 PWs) bands (ev): 2.6089 2.6089 2.7112 2.7112 2.9373 2.9373 3.0839 3.0839 3.4054 3.4054 3.5050 3.5050 3.7392 3.7392 4.0657 4.0657 4.2478 4.2478 4.7766 4.7766 5.4131 5.4131 5.6720 5.6720 5.8636 5.8636 6.0256 6.0256 6.2217 6.2217 6.9122 6.9122 6.9853 6.9853 10.8540 10.8540 12.5810 12.5810 17.4811 17.4811 18.0427 18.0427 18.4742 18.4742 k = 0.0000 0.5466 0.4580 ( 2178 PWs) bands (ev): 2.6091 2.6091 2.7112 2.7112 2.9382 2.9382 3.0842 3.0842 3.4114 3.4114 3.4985 3.4985 3.7390 3.7390 4.0652 4.0652 4.2479 4.2479 4.7745 4.7745 5.4135 5.4135 5.6716 5.6716 5.8639 5.8639 6.0254 6.0254 6.2217 6.2217 6.9113 6.9113 6.9851 6.9851 10.8842 10.8842 12.5480 12.5480 17.4997 17.4997 18.0264 18.0264 18.4865 18.4865 k = 0.0000 0.5466 0.4580 ( 2178 PWs) bands (ev): 2.6091 2.6091 2.7112 2.7112 2.9382 2.9382 3.0842 3.0842 3.4114 3.4114 3.4985 3.4985 3.7390 3.7390 4.0652 4.0652 4.2479 4.2479 4.7745 4.7745 5.4135 5.4135 5.6716 5.6716 5.8639 5.8639 6.0254 6.0254 6.2217 6.2217 6.9113 6.9113 6.9851 6.9851 10.8842 10.8842 12.5480 12.5480 17.4997 17.4997 18.0264 18.0264 18.4865 18.4865 k = 0.0063 0.5370 0.4694 ( 2182 PWs) bands (ev): 2.6093 2.6093 2.7112 2.7112 2.9383 2.9383 3.0842 3.0842 3.4112 3.4112 3.4988 3.4988 3.7392 3.7392 4.0651 4.0651 4.2471 4.2471 4.7756 4.7756 5.4134 5.4134 5.6717 5.6717 5.8634 5.8634 6.0223 6.0223 6.2223 6.2223 6.9141 6.9141 6.9875 6.9875 10.8873 10.8873 12.5484 12.5484 17.4421 17.4421 17.9565 17.9565 18.5400 18.5400 k = 0.0125 0.5274 0.4809 ( 2186 PWs) bands (ev): 2.6097 2.6097 2.7113 2.7113 2.9390 2.9390 3.0843 3.0843 3.4106 3.4106 3.4998 3.4998 3.7395 3.7395 4.0648 4.0648 4.2448 4.2448 4.7788 4.7788 5.4130 5.4130 5.6720 5.6720 5.8622 5.8622 6.0134 6.0134 6.2239 6.2239 6.9221 6.9221 6.9949 6.9949 10.8967 10.8967 12.5495 12.5495 17.2980 17.2980 17.7920 17.7920 18.6789 18.6789 k = 0.0187 0.5178 0.4923 ( 2184 PWs) bands (ev): 2.6105 2.6105 2.7115 2.7115 2.9400 2.9400 3.0844 3.0844 3.4098 3.4098 3.5015 3.5015 3.7400 3.7400 4.0643 4.0643 4.2411 4.2411 4.7841 4.7841 5.4122 5.4122 5.6724 5.6724 5.8603 5.8603 5.9995 5.9995 6.2260 6.2260 6.9348 6.9348 7.0077 7.0077 10.9123 10.9123 12.5514 12.5514 17.1095 17.1095 17.5885 17.5885 18.8625 18.8625 k = 0.0250 0.5082 0.5038 ( 2184 PWs) bands (ev): 2.6116 2.6116 2.7118 2.7118 2.9414 2.9414 3.0845 3.0845 3.4087 3.4087 3.5038 3.5038 3.7407 3.7407 4.0636 4.0636 4.2360 4.2360 4.7913 4.7913 5.4112 5.4112 5.6729 5.6729 5.8576 5.8576 5.9818 5.9818 6.2277 6.2277 6.9513 6.9513 7.0265 7.0265 10.9341 10.9341 12.5541 12.5541 16.9002 16.9002 17.3701 17.3701 19.0645 19.0645 k = 0.0312 0.4986 0.5152 ( 2184 PWs) bands (ev): 2.6130 2.6130 2.7121 2.7121 2.9433 2.9433 3.0847 3.0847 3.4076 3.4076 3.5065 3.5065 3.7414 3.7414 4.0626 4.0626 4.2298 4.2298 4.8004 4.8004 5.4100 5.4100 5.6734 5.6734 5.8543 5.8543 5.9614 5.9614 6.2286 6.2286 6.9707 6.9707 7.0517 7.0517 10.9618 10.9618 12.5575 12.5575 16.6808 16.6808 17.1456 17.1456 19.2680 19.2680 k = 0.0375 0.4890 0.5267 ( 2178 PWs) bands (ev): 2.6148 2.6148 2.7126 2.7126 2.9455 2.9455 3.0850 3.0850 3.4066 3.4066 3.5096 3.5096 3.7423 3.7423 4.0615 4.0615 4.2224 4.2224 4.8111 4.8111 5.4084 5.4084 5.6736 5.6736 5.8504 5.8504 5.9392 5.9392 6.2284 6.2284 6.9923 6.9923 7.0834 7.0834 10.9955 10.9955 12.5617 12.5617 16.4565 16.4565 16.9189 16.9189 19.4366 19.4366 k = 0.0437 0.4795 0.5381 ( 2176 PWs) bands (ev): 2.6167 2.6167 2.7130 2.7130 2.9482 2.9482 3.0852 3.0852 3.4057 3.4057 3.5130 3.5130 3.7431 3.7431 4.0602 4.0602 4.2142 4.2142 4.8233 4.8233 5.4066 5.4066 5.6734 5.6734 5.8462 5.8462 5.9163 5.9163 6.2269 6.2269 7.0159 7.0159 7.1214 7.1214 11.0349 11.0349 12.5665 12.5665 16.2299 16.2299 16.6919 16.6919 19.4466 19.4467 k = 0.0500 0.4699 0.5496 ( 2176 PWs) bands (ev): 2.6189 2.6189 2.7133 2.7133 2.9512 2.9512 3.0855 3.0855 3.4050 3.4050 3.5167 3.5167 3.7439 3.7439 4.0587 4.0587 4.2053 4.2053 4.8368 4.8368 5.4044 5.4044 5.6724 5.6724 5.8417 5.8417 5.8933 5.8933 6.2242 6.2242 7.0417 7.0417 7.1651 7.1651 11.0800 11.0800 12.5720 12.5720 16.0027 16.0027 16.4656 16.4656 19.3558 19.3558 k = 0.0563 0.4603 0.5610 ( 2180 PWs) bands (ev): 2.6213 2.6213 2.7136 2.7136 2.9546 2.9546 3.0859 3.0859 3.4047 3.4047 3.5205 3.5205 3.7445 3.7445 4.0569 4.0569 4.1957 4.1957 4.8515 4.8515 5.4020 5.4020 5.6704 5.6704 5.8367 5.8367 5.8713 5.8713 6.2203 6.2203 7.0699 7.0699 7.2138 7.2138 11.1303 11.1303 12.5782 12.5782 15.7756 15.7756 16.2406 16.2406 19.2411 19.2411 k = 0.0625 0.4507 0.5725 ( 2176 PWs) bands (ev): 2.6238 2.6238 2.7139 2.7139 2.9584 2.9584 3.0863 3.0863 3.4049 3.4049 3.5246 3.5246 3.7448 3.7448 4.0550 4.0550 4.1858 4.1858 4.8672 4.8672 5.3992 5.3992 5.6668 5.6668 5.8305 5.8305 5.8518 5.8518 6.2154 6.2154 7.1005 7.1005 7.2671 7.2671 11.1859 11.1859 12.5849 12.5849 15.5495 15.5495 16.0176 16.0176 19.1153 19.1153 k = 0.0688 0.4411 0.5839 ( 2178 PWs) bands (ev): 2.6265 2.6265 2.7140 2.7140 2.9626 2.9626 3.0867 3.0867 3.4056 3.4056 3.5287 3.5287 3.7449 3.7449 4.0528 4.0528 4.1755 4.1755 4.8837 4.8837 5.3960 5.3960 5.6614 5.6614 5.8203 5.8203 5.8387 5.8387 6.2095 6.2095 7.1338 7.1338 7.3244 7.3244 11.2464 11.2464 12.5922 12.5922 15.3248 15.3248 15.7967 15.7967 18.9822 18.9822 k = 0.0750 0.4315 0.5954 ( 2178 PWs) bands (ev): 2.6294 2.6294 2.7141 2.7141 2.9671 2.9671 3.0872 3.0872 3.4068 3.4068 3.5330 3.5330 3.7446 3.7446 4.0503 4.0503 4.1651 4.1651 4.9010 4.9010 5.3925 5.3925 5.6537 5.6537 5.8060 5.8060 5.8326 5.8326 6.2030 6.2030 7.1698 7.1698 7.3855 7.3855 11.3116 11.3116 12.5999 12.5999 15.1020 15.1020 15.5783 15.5783 18.8439 18.8439 k = 0.0813 0.4219 0.6068 ( 2174 PWs) bands (ev): 2.6323 2.6323 2.7140 2.7140 2.9719 2.9719 3.0878 3.0878 3.4086 3.4086 3.5375 3.5375 3.7439 3.7439 4.0476 4.0476 4.1546 4.1546 4.9188 4.9188 5.3884 5.3884 5.6434 5.6434 5.7922 5.7922 5.8296 5.8296 6.1958 6.1958 7.2086 7.2086 7.4500 7.4500 11.3813 11.3813 12.6078 12.6078 14.8812 14.8812 15.3627 15.3627 18.7020 18.7020 k = 0.0875 0.4123 0.6183 ( 2174 PWs) bands (ev): 2.6353 2.6353 2.7137 2.7137 2.9770 2.9770 3.0884 3.0884 3.4110 3.4110 3.5420 3.5420 3.7428 3.7428 4.0444 4.0444 4.1442 4.1442 4.9372 4.9372 5.3839 5.3839 5.6308 5.6308 5.7805 5.7805 5.8280 5.8280 6.1881 6.1881 7.2503 7.2503 7.5177 7.5177 11.4551 11.4551 12.6158 12.6158 14.6629 14.6629 15.1502 15.1502 18.5577 18.5577 k = 0.0938 0.4027 0.6297 ( 2174 PWs) bands (ev): 2.6383 2.6383 2.7133 2.7133 2.9824 2.9824 3.0892 3.0892 3.4141 3.4141 3.5467 3.5467 3.7412 3.7412 4.0408 4.0408 4.1340 4.1340 4.9559 4.9559 5.3788 5.3788 5.6162 5.6162 5.7713 5.7713 5.8275 5.8275 6.1800 6.1800 7.2949 7.2949 7.5884 7.5884 11.5328 11.5328 12.6237 12.6237 14.4472 14.4472 14.9412 14.9412 18.4120 18.4120 k = 0.1000 0.3931 0.6412 ( 2172 PWs) bands (ev): 2.6414 2.6414 2.7126 2.7126 2.9880 2.9880 3.0901 3.0901 3.4178 3.4178 3.5515 3.5515 3.7391 3.7391 4.0367 4.0367 4.1241 4.1241 4.9748 4.9748 5.3732 5.3732 5.6001 5.6001 5.7642 5.7642 5.8279 5.8279 6.1717 6.1717 7.3424 7.3424 7.6620 7.6620 11.6140 11.6140 12.6310 12.6310 14.2345 14.2345 14.7360 14.7360 18.2659 18.2659 k = 0.1062 0.3835 0.6526 ( 2168 PWs) bands (ev): 2.6444 2.6444 2.7118 2.7118 2.9938 2.9938 3.0912 3.0912 3.4221 3.4221 3.5564 3.5564 3.7366 3.7366 4.0319 4.0319 4.1146 4.1146 4.9940 4.9940 5.3669 5.3669 5.5833 5.5833 5.7591 5.7591 5.8292 5.8292 6.1632 6.1632 7.3928 7.3928 7.7383 7.7383 11.6983 11.6983 12.6373 12.6373 14.0252 14.0252 14.5353 14.5353 18.1201 18.1201 k = 0.1125 0.3739 0.6641 ( 2176 PWs) bands (ev): 2.6473 2.6473 2.7107 2.7107 2.9996 2.9996 3.0923 3.0923 3.4270 3.4270 3.5615 3.5615 3.7336 3.7336 4.0263 4.0263 4.1056 4.1056 5.0131 5.0131 5.3599 5.3599 5.5662 5.5662 5.7556 5.7556 5.8311 5.8311 6.1545 6.1545 7.4463 7.4463 7.8174 7.8174 11.7853 11.7853 12.6417 12.6417 13.8197 13.8197 14.3396 14.3396 17.9753 17.9753 k = 0.1187 0.3643 0.6755 ( 2178 PWs) bands (ev): 2.6502 2.6502 2.7094 2.7094 3.0055 3.0055 3.0938 3.0938 3.4325 3.4325 3.5667 3.5667 3.7302 3.7302 4.0199 4.0199 4.0971 4.0971 5.0323 5.0323 5.3523 5.3523 5.5493 5.5493 5.7535 5.7535 5.8336 5.8336 6.1457 6.1457 7.5027 7.5027 7.8991 7.8991 11.8742 11.8742 12.6431 12.6431 13.6188 13.6188 14.1502 14.1502 17.8320 17.8320 k = 0.1250 0.3547 0.6870 ( 2178 PWs) bands (ev): 2.6531 2.6531 2.7079 2.7079 3.0115 3.0115 3.0954 3.0954 3.4385 3.4385 3.5721 3.5721 3.7265 3.7265 4.0125 4.0125 4.0894 4.0894 5.0514 5.0514 5.3441 5.3441 5.5330 5.5330 5.7528 5.7528 5.8364 5.8364 6.1369 6.1369 7.5620 7.5620 7.9835 7.9835 11.9642 11.9642 12.6396 12.6396 13.4236 13.4236 13.9685 13.9685 17.6910 17.6910 k = 0.1313 0.3451 0.6984 ( 2180 PWs) bands (ev): 2.6559 2.6559 2.7063 2.7063 3.0173 3.0173 3.0973 3.0973 3.4449 3.4449 3.5776 3.5776 3.7225 3.7225 4.0042 4.0042 4.0823 4.0823 5.0702 5.0702 5.3353 5.3353 5.5173 5.5173 5.7532 5.7532 5.8395 5.8395 6.1280 6.1280 7.6243 7.6243 8.0704 8.0704 12.0538 12.0538 12.6281 12.6281 13.2363 13.2363 13.7968 13.7968 17.5526 17.5526 k = 0.1375 0.3356 0.7099 ( 2180 PWs) bands (ev): 2.6586 2.6586 2.7044 2.7044 3.0231 3.0231 3.0994 3.0994 3.4519 3.4519 3.5833 3.5833 3.7184 3.7184 3.9950 3.9950 4.0758 4.0758 5.0888 5.0888 5.3261 5.3261 5.5025 5.5025 5.7548 5.7548 5.8428 5.8428 6.1192 6.1192 7.6896 7.6896 8.1598 8.1598 12.1402 12.1402 12.6032 12.6032 13.0617 13.0617 13.6385 13.6385 17.4174 17.4174 k = 0.1437 0.3260 0.7213 ( 2184 PWs) bands (ev): 2.6611 2.6611 2.7025 2.7025 3.0287 3.0287 3.1017 3.1017 3.4591 3.4591 3.5892 3.5892 3.7140 3.7140 3.9849 3.9849 4.0698 4.0698 5.1070 5.1070 5.3165 5.3165 5.4887 5.4887 5.7573 5.7573 5.8462 5.8462 6.1105 6.1105 7.7577 7.7577 8.2518 8.2518 12.2169 12.2169 12.5562 12.5562 12.9100 12.9100 13.4982 13.4982 17.2857 17.2857 k = 0.1500 0.3164 0.7328 ( 2178 PWs) bands (ev): 2.6636 2.6636 2.7005 2.7005 3.0340 3.0340 3.1044 3.1044 3.4668 3.4668 3.5952 3.5952 3.7097 3.7097 3.9742 3.9742 4.0642 4.0642 5.1247 5.1247 5.3067 5.3067 5.4758 5.4758 5.7607 5.7607 5.8496 5.8496 6.1019 6.1019 7.8287 7.8287 8.3463 8.3463 12.2676 12.2676 12.4790 12.4790 12.8000 12.8000 13.3814 13.3814 17.1580 17.1580 k = 0.1562 0.3068 0.7442 ( 2176 PWs) bands (ev): 2.6659 2.6659 2.6984 2.6984 3.0391 3.0391 3.1072 3.1072 3.4747 3.4747 3.6013 3.6013 3.7053 3.7053 3.9628 3.9628 4.0590 4.0590 5.1418 5.1418 5.2970 5.2970 5.4638 5.4638 5.7650 5.7650 5.8529 5.8529 6.0933 6.0933 7.9024 7.9024 8.4432 8.4432 12.2492 12.2492 12.3906 12.3906 12.7515 12.7515 13.2923 13.2923 17.0347 17.0347 k = 0.1625 0.2972 0.7557 ( 2176 PWs) bands (ev): 2.6680 2.6680 2.6962 2.6962 3.0439 3.0439 3.1102 3.1102 3.4827 3.4827 3.6075 3.6075 3.7011 3.7011 3.9510 3.9510 4.0540 4.0540 5.1581 5.1581 5.2875 5.2875 5.4528 5.4528 5.7700 5.7700 5.8562 5.8562 6.0849 6.0849 7.9786 7.9786 8.5427 8.5427 12.1372 12.1372 12.3106 12.3106 12.7687 12.7687 13.2311 13.2311 16.9161 16.9161 k = 0.1688 0.2876 0.7671 ( 2182 PWs) bands (ev): 2.6700 2.6700 2.6939 2.6939 3.0483 3.0483 3.1134 3.1134 3.4909 3.4909 3.6137 3.6137 3.6971 3.6971 3.9389 3.9389 4.0491 4.0491 5.1736 5.1736 5.2785 5.2785 5.4425 5.4425 5.7755 5.7755 5.8593 5.8593 6.0767 6.0767 8.0573 8.0573 8.6446 8.6446 11.9878 11.9878 12.2076 12.2076 12.8308 12.8308 13.1937 13.1937 16.8026 16.8026 k = 0.1750 0.2780 0.7786 ( 2182 PWs) bands (ev): 2.6718 2.6718 2.6917 2.6917 3.0523 3.0523 3.1166 3.1166 3.4991 3.4991 3.6199 3.6199 3.6933 3.6933 3.9265 3.9265 4.0445 4.0445 5.1877 5.1877 5.2705 5.2705 5.4330 5.4330 5.7815 5.7815 5.8622 5.8622 6.0687 6.0687 8.1381 8.1381 8.7489 8.7489 11.8297 11.8297 12.0820 12.0820 12.9142 12.9142 13.1741 13.1741 16.6945 16.6945 k = 0.1812 0.2684 0.7900 ( 2182 PWs) bands (ev): 2.6735 2.6735 2.6897 2.6897 3.0561 3.0561 3.1199 3.1199 3.5072 3.5072 3.6261 3.6261 3.6899 3.6899 3.9141 3.9141 4.0400 4.0400 5.1999 5.1999 5.2643 5.2643 5.4241 5.4241 5.7879 5.7879 5.8649 5.8649 6.0608 6.0608 8.2207 8.2207 8.8556 8.8556 11.6712 11.6712 11.9432 11.9432 13.0064 13.0064 13.1672 13.1672 16.5923 16.5923 k = 0.1875 0.2588 0.8015 ( 2184 PWs) bands (ev): 2.6750 2.6750 2.6877 2.6877 3.0595 3.0595 3.1232 3.1232 3.5152 3.5152 3.6321 3.6321 3.6868 3.6868 3.9017 3.9017 4.0356 4.0356 5.2090 5.2090 5.2610 5.2610 5.4157 5.4157 5.7946 5.7946 5.8673 5.8673 6.0533 6.0533 8.3048 8.3048 8.9646 8.9646 11.5152 11.5152 11.7974 11.7974 13.0993 13.0993 13.1712 13.1712 16.4962 16.4962 k = 0.1938 0.2492 0.8129 ( 2180 PWs) bands (ev): 2.6762 2.6762 2.6859 2.6859 3.0625 3.0625 3.1263 3.1263 3.5230 3.5230 3.6381 3.6381 3.6842 3.6842 3.8895 3.8895 4.0314 4.0314 5.2135 5.2135 5.2623 5.2623 5.4077 5.4077 5.8013 5.8013 5.8695 5.8695 6.0461 6.0461 8.3897 8.3897 9.0758 9.0758 11.3638 11.3638 11.6483 11.6483 13.1589 13.1589 13.2141 13.2141 16.4066 16.4066 k = 0.2000 0.2396 0.8244 ( 2178 PWs) bands (ev): 2.6772 2.6772 2.6844 2.6844 3.0652 3.0652 3.1293 3.1293 3.5304 3.5304 3.6438 3.6438 3.6821 3.6821 3.8775 3.8775 4.0275 4.0275 5.2135 5.2135 5.2681 5.2681 5.4001 5.4001 5.8081 5.8081 5.8714 5.8714 6.0392 6.0392 8.4746 8.4746 9.1889 9.1889 11.2182 11.2182 11.4986 11.4986 13.1734 13.1734 13.3035 13.3035 16.3238 16.3238 k = 0.2062 0.2300 0.8358 ( 2178 PWs) bands (ev): 2.6777 2.6777 2.6833 2.6833 3.0676 3.0676 3.1321 3.1321 3.5373 3.5373 3.6491 3.6491 3.6805 3.6805 3.8661 3.8661 4.0238 4.0238 5.2107 5.2107 5.2767 5.2767 5.3927 5.3927 5.8147 5.8147 5.8729 5.8729 6.0328 6.0328 8.5585 8.5585 9.3038 9.3038 11.0799 11.0799 11.3500 11.3500 13.1843 13.1843 13.3944 13.3944 16.2481 16.2481 k = 0.2125 0.2204 0.8473 ( 2180 PWs) bands (ev): 2.6777 2.6777 2.6827 2.6827 3.0697 3.0697 3.1346 3.1346 3.5436 3.5436 3.6541 3.6541 3.6794 3.6794 3.8553 3.8553 4.0204 4.0204 5.2071 5.2071 5.2863 5.2863 5.3856 5.3856 5.8210 5.8210 5.8742 5.8742 6.0270 6.0270 8.6400 8.6400 9.4199 9.4199 10.9504 10.9504 11.2041 11.2041 13.1950 13.1950 13.4807 13.4807 16.1800 16.1800 k = 0.2188 0.2108 0.8587 ( 2180 PWs) bands (ev): 2.6771 2.6771 2.6827 2.6827 3.0714 3.0714 3.1368 3.1368 3.5492 3.5492 3.6586 3.6586 3.6788 3.6788 3.8454 3.8454 4.0174 4.0174 5.2033 5.2033 5.2962 5.2962 5.3784 5.3784 5.8268 5.8268 5.8751 5.8751 6.0217 6.0217 8.7173 8.7173 9.5365 9.5365 10.8312 10.8312 11.0625 11.0625 13.2051 13.2051 13.5598 13.5598 16.1199 16.1199 k = 0.2250 0.2012 0.8702 ( 2184 PWs) bands (ev): 2.6764 2.6764 2.6830 2.6830 3.0729 3.0729 3.1386 3.1386 3.5539 3.5539 3.6625 3.6625 3.6785 3.6785 3.8367 3.8367 4.0148 4.0148 5.1999 5.1999 5.3059 5.3059 5.3713 5.3713 5.8321 5.8321 5.8757 5.8757 6.0172 6.0172 8.7878 8.7878 9.6521 9.6521 10.7243 10.7243 10.9280 10.9280 13.2142 13.2142 13.6293 13.6293 16.0685 16.0685 k = 0.2313 0.1917 0.8816 ( 2180 PWs) bands (ev): 2.6758 2.6758 2.6833 2.6833 3.0740 3.0740 3.1401 3.1401 3.5577 3.5577 3.6658 3.6658 3.6786 3.6786 3.8295 3.8295 4.0128 4.0128 5.1972 5.1972 5.3153 5.3153 5.3641 5.3641 5.8365 5.8365 5.8760 5.8760 6.0135 6.0135 8.8485 8.8485 9.7639 9.7639 10.6314 10.6314 10.8050 10.8050 13.2218 13.2218 13.6868 13.6868 16.0266 16.0266 k = 0.2375 0.1821 0.8931 ( 2182 PWs) bands (ev): 2.6752 2.6752 2.6836 2.6836 3.0748 3.0748 3.1411 3.1411 3.5604 3.5604 3.6682 3.6682 3.6788 3.6788 3.8240 3.8240 4.0113 4.0113 5.1952 5.1952 5.3243 5.3243 5.3568 5.3568 5.8399 5.8399 5.8762 5.8762 6.0108 6.0108 8.8959 8.8959 9.8660 9.8660 10.5535 10.5535 10.7025 10.7025 13.2274 13.2274 13.7299 13.7299 15.9954 15.9954 k = 0.2437 0.1725 0.9045 ( 2190 PWs) bands (ev): 2.6748 2.6748 2.6837 2.6837 3.0753 3.0753 3.1417 3.1417 3.5619 3.5619 3.6696 3.6696 3.6790 3.6790 3.8206 3.8206 4.0103 4.0103 5.1939 5.1939 5.3328 5.3328 5.3493 5.3493 5.8420 5.8420 5.8762 5.8762 6.0092 6.0092 8.9262 8.9262 9.9451 9.9451 10.4938 10.4938 10.6339 10.6339 13.2310 13.2310 13.7567 13.7567 15.9761 15.9761 k = 0.2500 0.1629 0.9160 ( 2188 PWs) bands (ev): 2.6747 2.6747 2.6838 2.6838 3.0754 3.0754 3.1420 3.1420 3.5625 3.5625 3.6701 3.6701 3.6791 3.6791 3.8195 3.8195 4.0100 4.0100 5.1935 5.1935 5.3394 5.3394 5.3430 5.3430 5.8427 5.8427 5.8762 5.8762 6.0086 6.0086 8.9366 8.9366 9.9770 9.9770 10.4689 10.4689 10.6102 10.6102 13.2322 13.2322 13.7658 13.7658 15.9695 15.9695 k = 0.2500 0.1629 0.9160 ( 2188 PWs) bands (ev): 2.6747 2.6747 2.6838 2.6838 3.0754 3.0754 3.1420 3.1420 3.5625 3.5625 3.6701 3.6701 3.6791 3.6791 3.8195 3.8195 4.0100 4.0100 5.1935 5.1935 5.3394 5.3394 5.3430 5.3430 5.8427 5.8427 5.8762 5.8762 6.0086 6.0086 8.9366 8.9366 9.9770 9.9770 10.4689 10.4689 10.6102 10.6102 13.2322 13.2322 13.7658 13.7658 15.9695 15.9695 k = 0.2614 0.1703 0.9071 ( 2188 PWs) bands (ev): 2.6713 2.6713 2.6866 2.6866 3.0729 3.0729 3.1446 3.1446 3.5625 3.5625 3.6709 3.6709 3.6786 3.6786 3.8195 3.8195 4.0105 4.0105 5.1928 5.1928 5.3348 5.3348 5.3484 5.3484 5.8408 5.8408 5.8784 5.8784 6.0088 6.0088 8.9341 8.9341 9.9691 9.9691 10.4321 10.4321 10.6629 10.6629 13.1883 13.1883 13.8095 13.8095 15.9182 15.9182 k = 0.2727 0.1777 0.8983 ( 2185 PWs) bands (ev): 2.6629 2.6629 2.6935 2.6935 3.0653 3.0653 3.1528 3.1528 3.5625 3.5625 3.6708 3.6708 3.6793 3.6793 3.8196 3.8196 4.0115 4.0115 5.1905 5.1905 5.3308 5.3308 5.3551 5.3551 5.8365 5.8365 5.8834 5.8834 6.0092 6.0092 8.9274 8.9274 9.9499 9.9499 10.3620 10.3620 10.7749 10.7749 13.0808 13.0808 13.9161 13.9161 15.8169 15.8169 k = 0.2841 0.1851 0.8895 ( 2187 PWs) bands (ev): 2.6537 2.6537 2.7001 2.7001 3.0551 3.0551 3.1638 3.1638 3.5624 3.5624 3.6703 3.6703 3.6810 3.6810 3.8197 3.8197 4.0132 4.0132 5.1865 5.1865 5.3280 5.3280 5.3624 5.3624 5.8313 5.8313 5.8897 5.8897 6.0100 6.0100 8.9180 8.9180 9.9249 9.9249 10.2884 10.2884 10.9094 10.9094 12.9432 12.9432 14.0512 14.0512 15.7089 15.7089 k = 0.2955 0.1925 0.8806 ( 2183 PWs) bands (ev): 2.6440 2.6440 2.7063 2.7063 3.0441 3.0441 3.1759 3.1759 3.5622 3.5622 3.6699 3.6699 3.6835 3.6835 3.8196 3.8196 4.0155 4.0155 5.1812 5.1812 5.3265 5.3265 5.3701 5.3701 5.8257 5.8257 5.8965 5.8965 6.0114 6.0114 8.9070 8.9070 9.8971 9.8971 10.2169 10.2169 11.0566 11.0566 12.7916 12.7916 14.1971 14.1971 15.6085 15.6085 k = 0.3068 0.1999 0.8718 ( 2183 PWs) bands (ev): 2.6340 2.6340 2.7120 2.7120 3.0331 3.0331 3.1880 3.1880 3.5618 3.5618 3.6698 3.6698 3.6865 3.6865 3.8192 3.8192 4.0184 4.0184 5.1746 5.1746 5.3263 5.3263 5.3779 5.3779 5.8203 5.8203 5.9029 5.9029 6.0134 6.0134 8.8953 8.8953 9.8682 9.8682 10.1488 10.1488 11.2122 11.2122 12.6328 12.6328 14.3443 14.3443 15.5230 15.5230 k = 0.3182 0.2073 0.8630 ( 2178 PWs) bands (ev): 2.6239 2.6239 2.7173 2.7173 3.0226 3.0226 3.1997 3.1997 3.5612 3.5612 3.6700 3.6700 3.6902 3.6902 3.8185 3.8185 4.0220 4.0220 5.1672 5.1672 5.3273 5.3273 5.3858 5.3858 5.8152 5.8152 5.9086 5.9086 6.0166 6.0166 8.8834 8.8834 9.8391 9.8391 10.0848 10.0848 11.3732 11.3732 12.4706 12.4706 14.4838 14.4838 15.4598 15.4598 k = 0.3295 0.2147 0.8541 ( 2176 PWs) bands (ev): 2.6136 2.6136 2.7220 2.7220 3.0127 3.0127 3.2106 3.2106 3.5603 3.5603 3.6706 3.6706 3.6944 3.6944 3.8176 3.8176 4.0264 4.0264 5.1591 5.1591 5.3294 5.3294 5.3935 5.3935 5.8104 5.8104 5.9131 5.9131 6.0210 6.0210 8.8718 8.8718 9.8103 9.8103 10.0254 10.0254 11.5366 11.5366 12.3087 12.3087 14.6033 14.6033 15.4303 15.4303 k = 0.3409 0.2221 0.8453 ( 2174 PWs) bands (ev): 2.6034 2.6034 2.7263 2.7263 3.0035 3.0035 3.2206 3.2206 3.5589 3.5589 3.6715 3.6715 3.6990 3.6990 3.8164 3.8164 4.0313 4.0313 5.1507 5.1507 5.3324 5.3324 5.4010 5.4010 5.8059 5.8059 5.9160 5.9160 6.0269 6.0269 8.8608 8.8608 9.7818 9.7818 9.9708 9.9708 11.6943 11.6943 12.1554 12.1554 14.6876 14.6876 15.4490 15.4490 k = 0.3523 0.2295 0.8365 ( 2173 PWs) bands (ev): 2.5933 2.5933 2.7301 2.7301 2.9952 2.9952 3.2296 3.2296 3.5570 3.5570 3.6727 3.6727 3.7039 3.7039 3.8151 3.8151 4.0370 4.0370 5.1423 5.1423 5.3362 5.3362 5.4083 5.4083 5.8018 5.8018 5.9173 5.9173 6.0342 6.0342 8.8506 8.8506 9.7535 9.7535 9.9214 9.9214 11.7995 11.7995 12.0578 12.0578 14.7276 14.7276 15.5247 15.5247 k = 0.3636 0.2369 0.8276 ( 2167 PWs) bands (ev): 2.5836 2.5836 2.7335 2.7335 2.9877 2.9877 3.2373 3.2373 3.5547 3.5547 3.6742 3.6742 3.7088 3.7088 3.8140 3.8140 4.0433 4.0433 5.1341 5.1341 5.3405 5.3405 5.4152 5.4152 5.7981 5.7981 5.9169 5.9169 6.0427 6.0427 8.8416 8.8416 9.7253 9.7253 9.8775 9.8775 11.7303 11.7303 12.1385 12.1385 14.7306 14.7306 15.6496 15.6496 k = 0.3750 0.2443 0.8188 ( 2166 PWs) bands (ev): 2.5742 2.5742 2.7365 2.7365 2.9809 2.9809 3.2440 3.2440 3.5518 3.5518 3.6760 3.6760 3.7133 3.7133 3.8133 3.8133 4.0501 4.0501 5.1262 5.1262 5.3453 5.3453 5.4219 5.4219 5.7948 5.7948 5.9152 5.9152 6.0521 6.0521 8.8338 8.8338 9.6966 9.6966 9.8392 9.8392 11.5829 11.5829 12.3016 12.3016 14.7120 14.7120 15.8079 15.8079 k = 0.3864 0.2517 0.8099 ( 2163 PWs) bands (ev): 2.5654 2.5654 2.7391 2.7391 2.9750 2.9750 3.2494 3.2494 3.5484 3.5484 3.6779 3.6779 3.7170 3.7170 3.8135 3.8135 4.0574 4.0574 5.1189 5.1189 5.3503 5.3503 5.4284 5.4284 5.7919 5.7919 5.9122 5.9122 6.0618 6.0618 8.8273 8.8273 9.6671 9.6671 9.8068 9.8068 11.4244 11.4244 12.4809 12.4809 14.6839 14.6839 15.9871 15.9871 k = 0.3977 0.2591 0.8011 ( 2163 PWs) bands (ev): 2.5572 2.5572 2.7414 2.7414 2.9697 2.9697 3.2537 3.2537 3.5445 3.5445 3.6800 3.6800 3.7198 3.7198 3.8147 3.8147 4.0648 4.0648 5.1123 5.1123 5.3553 5.3553 5.4347 5.4347 5.7895 5.7895 5.9083 5.9083 6.0717 6.0717 8.8223 8.8223 9.6359 9.6359 9.7805 9.7805 11.2658 11.2658 12.6662 12.6662 14.6535 14.6535 16.1798 16.1798 k = 0.4091 0.2665 0.7923 ( 2165 PWs) bands (ev): 2.5497 2.5497 2.7432 2.7432 2.9651 2.9651 3.2569 3.2569 3.5401 3.5401 3.6822 3.6822 3.7214 3.7214 3.8171 3.8171 4.0724 4.0724 5.1064 5.1064 5.3601 5.3601 5.4409 5.4409 5.7877 5.7877 5.9038 5.9038 6.0812 6.0812 8.8188 8.8188 9.6024 9.6024 9.7602 9.7602 11.1107 11.1107 12.8548 12.8548 14.6246 14.6246 16.3819 16.3819 k = 0.4205 0.2739 0.7834 ( 2174 PWs) bands (ev): 2.5431 2.5431 2.7447 2.7447 2.9612 2.9612 3.2588 3.2588 3.5351 3.5351 3.6845 3.6845 3.7220 3.7220 3.8206 3.8206 4.0799 4.0799 5.1013 5.1013 5.3644 5.3644 5.4471 5.4471 5.7865 5.7865 5.8987 5.8987 6.0900 6.0900 8.8168 8.8168 9.5654 9.5654 9.7459 9.7459 10.9617 10.9617 13.0452 13.0452 14.5996 14.5996 16.5913 16.5913 k = 0.4318 0.2813 0.7746 ( 2172 PWs) bands (ev): 2.5375 2.5375 2.7459 2.7459 2.9578 2.9578 3.2598 3.2598 3.5299 3.5299 3.6868 3.6868 3.7218 3.7218 3.8251 3.8251 4.0872 4.0872 5.0971 5.0971 5.3680 5.3680 5.4533 5.4533 5.7860 5.7860 5.8934 5.8934 6.0980 6.0980 8.8163 8.8163 9.5237 9.5237 9.7378 9.7378 10.8209 10.8209 13.2366 13.2366 14.5799 14.5799 16.8063 16.8063 k = 0.4432 0.2887 0.7658 ( 2171 PWs) bands (ev): 2.5328 2.5328 2.7468 2.7468 2.9550 2.9550 3.2597 3.2597 3.5243 3.5243 3.6892 3.6892 3.7212 3.7212 3.8303 3.8303 4.0939 4.0939 5.0938 5.0938 5.3708 5.3708 5.4595 5.4595 5.7862 5.7862 5.8880 5.8880 6.1050 6.1050 8.8171 8.8171 9.4755 9.4755 9.7358 9.7358 10.6907 10.6907 13.4278 13.4278 14.5669 14.5669 17.0261 17.0261 k = 0.4545 0.2961 0.7569 ( 2173 PWs) bands (ev): 2.5291 2.5291 2.7474 2.7474 2.9526 2.9526 3.2584 3.2584 3.5184 3.5184 3.6917 3.6917 3.7203 3.7203 3.8359 3.8359 4.1000 4.1000 5.0913 5.0913 5.3725 5.3725 5.4656 5.4656 5.7872 5.7872 5.8828 5.8828 6.1106 6.1106 8.8189 8.8189 9.4193 9.4193 9.7400 9.7400 10.5736 10.5736 13.6171 13.6171 14.5621 14.5621 17.2501 17.2501 k = 0.4659 0.3035 0.7481 ( 2171 PWs) bands (ev): 2.5267 2.5267 2.7477 2.7477 2.9507 2.9507 3.2562 3.2562 3.5124 3.5124 3.6942 3.6942 3.7196 3.7196 3.8418 3.8418 4.1053 4.1053 5.0897 5.0897 5.3731 5.3731 5.4715 5.4715 5.7887 5.7887 5.8782 5.8782 6.1149 6.1149 8.8211 8.8211 9.3539 9.3539 9.7503 9.7503 10.4718 10.4718 13.8018 13.8018 14.5679 14.5679 17.4777 17.4777 k = 0.4773 0.3109 0.7393 ( 2169 PWs) bands (ev): 2.5253 2.5253 2.7477 2.7477 2.9491 2.9491 3.2529 3.2529 3.5062 3.5062 3.6967 3.6967 3.7192 3.7192 3.8478 3.8478 4.1096 4.1096 5.0889 5.0889 5.3724 5.3724 5.4772 5.4772 5.7907 5.7907 5.8745 5.8745 6.1178 6.1178 8.8224 8.8224 9.2797 9.2797 9.7669 9.7669 10.3866 10.3866 13.9769 13.9769 14.5890 14.5890 17.7083 17.7083 k = 0.4886 0.3183 0.7304 ( 2167 PWs) bands (ev): 2.5251 2.5251 2.7473 2.7473 2.9480 2.9480 3.2486 3.2486 3.5000 3.5000 3.6991 3.6991 3.7194 3.7194 3.8538 3.8538 4.1129 4.1129 5.0889 5.0889 5.3705 5.3705 5.4825 5.4825 5.7925 5.7925 5.8725 5.8725 6.1192 6.1192 8.8198 8.8198 9.1994 9.1994 9.7896 9.7896 10.3185 10.3185 14.1333 14.1333 14.6340 14.6340 17.9405 17.9405 k = 0.5000 0.3257 0.7216 ( 2162 PWs) bands (ev): 2.5260 2.5260 2.7466 2.7466 2.9472 2.9472 3.2435 3.2435 3.4937 3.4937 3.7014 3.7014 3.7202 3.7202 3.8596 3.8596 4.1151 4.1151 5.0895 5.0895 5.3673 5.3673 5.4874 5.4874 5.7936 5.7936 5.8726 5.8726 6.1192 6.1192 8.8068 8.8068 9.1207 9.1207 9.8183 9.8183 10.2669 10.2669 14.2579 14.2579 14.7146 14.7146 18.1390 18.1390 k = 0.5000 0.3257 0.7216 ( 2162 PWs) bands (ev): 2.5260 2.5260 2.7466 2.7466 2.9472 2.9472 3.2435 3.2435 3.4937 3.4937 3.7014 3.7014 3.7202 3.7202 3.8596 3.8596 4.1151 4.1151 5.0895 5.0895 5.3673 5.3673 5.4874 5.4874 5.7936 5.7936 5.8726 5.8726 6.1192 6.1192 8.8068 8.8068 9.1207 9.1207 9.8183 9.8183 10.2669 10.2669 14.2579 14.2579 14.7146 14.7146 18.1390 18.1390 k = 0.5000 0.3257 0.7056 ( 2166 PWs) bands (ev): 2.5285 2.5285 2.7450 2.7450 2.9458 2.9458 3.2334 3.2334 3.4822 3.4822 3.7046 3.7046 3.7233 3.7233 3.8701 3.8701 4.1181 4.1181 5.0912 5.0912 5.3604 5.3604 5.4962 5.4962 5.7936 5.7936 5.8759 5.8759 6.1182 6.1182 8.7622 8.7622 8.9880 8.9880 9.8776 9.8776 10.1921 10.1921 14.4516 14.4516 14.9011 14.9011 18.1935 18.1935 k = 0.5000 0.3257 0.6895 ( 2174 PWs) bands (ev): 2.5307 2.5307 2.7433 2.7433 2.9441 2.9441 3.2236 3.2236 3.4702 3.4702 3.7065 3.7065 3.7281 3.7281 3.8804 3.8804 4.1216 4.1216 5.0930 5.0930 5.3536 5.3536 5.5056 5.5056 5.7919 5.7919 5.8809 5.8809 6.1176 6.1176 8.7060 8.7060 8.8592 8.8592 9.9392 9.9392 10.1284 10.1284 14.6492 14.6492 15.0914 15.0914 18.2521 18.2521 k = 0.5000 0.3257 0.6735 ( 2174 PWs) bands (ev): 2.5327 2.5327 2.7417 2.7417 2.9420 2.9420 3.2144 3.2144 3.4580 3.4580 3.7073 3.7073 3.7342 3.7342 3.8905 3.8905 4.1258 4.1258 5.0946 5.0946 5.3471 5.3471 5.5156 5.5156 5.7887 5.7887 5.8874 5.8874 6.1174 6.1174 8.6318 8.6318 8.7409 8.7409 9.9955 9.9955 10.0840 10.0840 14.8502 14.8502 15.2852 15.2852 18.3147 18.3147 k = 0.5000 0.3257 0.6574 ( 2170 PWs) bands (ev): 2.5342 2.5342 2.7402 2.7402 2.9395 2.9395 3.2059 3.2059 3.4455 3.4455 3.7073 3.7073 3.7413 3.7413 3.9004 3.9004 4.1305 4.1305 5.0963 5.0963 5.3410 5.3410 5.5261 5.5261 5.7841 5.7841 5.8949 5.8949 6.1176 6.1176 8.5317 8.5317 8.6416 8.6416 10.0029 10.0029 10.1025 10.1025 15.0542 15.0542 15.4822 15.4822 18.3814 18.3814 k = 0.5000 0.3257 0.6414 ( 2162 PWs) bands (ev): 2.5354 2.5354 2.7388 2.7388 2.9367 2.9367 3.1980 3.1980 3.4328 3.4328 3.7069 3.7069 3.7488 3.7488 3.9102 3.9102 4.1359 4.1359 5.0978 5.0978 5.3354 5.3354 5.5371 5.5371 5.7785 5.7785 5.9032 5.9032 6.1184 6.1184 8.4130 8.4130 8.5546 8.5546 9.9766 9.9766 10.1688 10.1688 15.2605 15.2605 15.6820 15.6820 18.4521 18.4521 k = 0.5000 0.3257 0.6254 ( 2170 PWs) bands (ev): 2.5361 2.5361 2.7373 2.7373 2.9334 2.9334 3.1909 3.1909 3.4196 3.4196 3.7060 3.7060 3.7567 3.7567 3.9198 3.9198 4.1418 4.1418 5.0993 5.0993 5.3303 5.3303 5.5485 5.5485 5.7720 5.7720 5.9120 5.9120 6.1196 6.1196 8.2881 8.2881 8.4686 8.4686 9.9542 9.9542 10.2442 10.2442 15.4689 15.4689 15.8843 15.8843 18.5269 18.5269 k = 0.5000 0.3257 0.6093 ( 2170 PWs) bands (ev): 2.5362 2.5362 2.7359 2.7359 2.9297 2.9297 3.1846 3.1846 3.4063 3.4063 3.7049 3.7049 3.7647 3.7647 3.9295 3.9295 4.1482 4.1482 5.1007 5.1007 5.3259 5.3259 5.5603 5.5603 5.7649 5.7649 5.9210 5.9210 6.1215 6.1215 8.1624 8.1624 8.3796 8.3796 9.9401 9.9401 10.3237 10.3237 15.6790 15.6790 16.0889 16.0889 18.6059 18.6059 k = 0.5000 0.3257 0.5933 ( 2170 PWs) bands (ev): 2.5359 2.5359 2.7347 2.7347 2.9256 2.9256 3.1792 3.1792 3.3929 3.3929 3.7036 3.7036 3.7726 3.7726 3.9392 3.9392 4.1552 4.1552 5.1020 5.1020 5.3223 5.3223 5.5724 5.5724 5.7573 5.7573 5.9301 5.9301 6.1239 6.1239 8.0378 8.0378 8.2870 8.2870 9.9343 9.9343 10.4064 10.4064 15.8903 15.8903 16.2956 16.2956 18.6891 18.6891 k = 0.5000 0.3257 0.5773 ( 2174 PWs) bands (ev): 2.5352 2.5352 2.7335 2.7335 2.9213 2.9213 3.1746 3.1746 3.3793 3.3793 3.7020 3.7020 3.7802 3.7802 3.9491 3.9491 4.1626 4.1626 5.1031 5.1031 5.3194 5.3194 5.5847 5.5847 5.7492 5.7492 5.9391 5.9391 6.1270 6.1270 7.9151 7.9151 8.1910 8.1910 9.9363 9.9363 10.4917 10.4917 16.1024 16.1024 16.5040 16.5040 18.7765 18.7765 k = 0.5000 0.3257 0.5612 ( 2168 PWs) bands (ev): 2.5339 2.5339 2.7325 2.7325 2.9167 2.9167 3.1710 3.1710 3.3657 3.3657 3.7002 3.7002 3.7874 3.7874 3.9593 3.9593 4.1704 4.1704 5.1041 5.1041 5.3173 5.3173 5.5971 5.5971 5.7407 5.7407 5.9478 5.9478 6.1307 6.1307 7.7950 7.7950 8.0925 8.0925 9.9455 9.9455 10.5794 10.5794 16.3148 16.3148 16.7139 16.7139 18.8684 18.8684 k = 0.5000 0.3257 0.5452 ( 2168 PWs) bands (ev): 2.5323 2.5323 2.7316 2.7316 2.9120 2.9120 3.1682 3.1682 3.3520 3.3520 3.6984 3.6984 3.7940 3.7940 3.9698 3.9698 4.1785 4.1785 5.1049 5.1049 5.3161 5.3161 5.6095 5.6095 5.7318 5.7318 5.9562 5.9562 6.1351 6.1351 7.6778 7.6778 7.9922 7.9922 9.9612 9.9612 10.6692 10.6692 16.5272 16.5272 16.9249 16.9249 18.9647 18.9647 k = 0.5000 0.3257 0.5292 ( 2156 PWs) bands (ev): 2.5302 2.5302 2.7309 2.7309 2.9074 2.9074 3.1662 3.1662 3.3383 3.3383 3.6964 3.6964 3.8000 3.8000 3.9806 3.9806 4.1868 4.1868 5.1055 5.1055 5.3157 5.3157 5.6217 5.6217 5.7228 5.7228 5.9641 5.9641 6.1403 6.1403 7.5639 7.5639 7.8908 7.8908 9.9830 9.9830 10.7610 10.7610 16.7390 16.7390 17.1369 17.1369 19.0656 19.0656 k = 0.5000 0.3257 0.5131 ( 2156 PWs) bands (ev): 2.5277 2.5277 2.7301 2.7301 2.9027 2.9027 3.1649 3.1649 3.3247 3.3247 3.6944 3.6944 3.8052 3.8052 3.9917 3.9917 4.1951 4.1951 5.1059 5.1059 5.3161 5.3161 5.6334 5.6334 5.7138 5.7138 5.9715 5.9715 6.1461 6.1461 7.4536 7.4536 7.7890 7.7890 10.0104 10.0104 10.8545 10.8545 16.9497 16.9497 17.3492 17.3492 19.1712 19.1712 k = 0.5000 0.3257 0.4971 ( 2164 PWs) bands (ev): 2.5248 2.5248 2.7295 2.7295 2.8982 2.8982 3.1644 3.1644 3.3110 3.3110 3.6923 3.6923 3.8097 3.8097 4.0032 4.0032 4.2033 4.2033 5.1061 5.1061 5.3171 5.3171 5.6439 5.6439 5.7052 5.7052 5.9783 5.9783 6.1526 6.1526 7.3472 7.3472 7.6873 7.6873 10.0432 10.0432 10.9496 10.9496 17.1587 17.1587 17.5616 17.5616 19.2816 19.2816 k = 0.5000 0.3257 0.4811 ( 2160 PWs) bands (ev): 2.5217 2.5217 2.7290 2.7290 2.8940 2.8940 3.1646 3.1646 3.2976 3.2976 3.6903 3.6903 3.8134 3.8134 4.0148 4.0148 4.2114 4.2114 5.1061 5.1061 5.3186 5.3186 5.6519 5.6519 5.6985 5.6985 5.9844 5.9844 6.1598 6.1598 7.2450 7.2450 7.5862 7.5862 10.0810 10.0810 11.0461 11.0461 17.3656 17.3656 17.7735 17.7735 19.3972 19.3972 k = 0.5000 0.3257 0.4650 ( 2164 PWs) bands (ev): 2.5183 2.5183 2.7285 2.7285 2.8901 2.8901 3.1654 3.1654 3.2842 3.2842 3.6883 3.6883 3.8164 3.8164 4.0265 4.0265 4.2192 4.2192 5.1057 5.1057 5.3205 5.3205 5.6545 5.6545 5.6963 5.6963 5.9899 5.9899 6.1677 6.1677 7.1474 7.1474 7.4862 7.4862 10.1239 10.1239 11.1439 11.1439 17.5696 17.5696 17.9842 17.9842 19.5182 19.5182 k = 0.5000 0.3257 0.4490 ( 2164 PWs) bands (ev): 2.5147 2.5147 2.7282 2.7282 2.8866 2.8866 3.1669 3.1669 3.2711 3.2711 3.6864 3.6864 3.8188 3.8188 4.0383 4.0383 4.2266 4.2266 5.1050 5.1050 5.3225 5.3225 5.6502 5.6502 5.7002 5.7002 5.9946 5.9946 6.1761 6.1761 7.0547 7.0547 7.3878 7.3878 10.1715 10.1715 11.2427 11.2427 17.7701 17.7701 18.1930 18.1930 19.6449 19.6449 k = 0.5000 0.3257 0.4330 ( 2176 PWs) bands (ev): 2.5108 2.5108 2.7279 2.7279 2.8835 2.8835 3.1689 3.1689 3.2583 3.2583 3.6846 3.6846 3.8205 3.8205 4.0499 4.0499 4.2334 4.2334 5.1038 5.1038 5.3243 5.3243 5.6412 5.6412 5.7078 5.7078 5.9986 5.9986 6.1851 6.1851 6.9671 6.9671 7.2914 7.2914 10.2238 10.2238 11.3423 11.3423 17.9662 17.9662 18.3987 18.3987 19.7773 19.7773 k = 0.5000 0.3257 0.4169 ( 2176 PWs) bands (ev): 2.5068 2.5068 2.7278 2.7278 2.8811 2.8811 3.1716 3.1716 3.2460 3.2460 3.6829 3.6829 3.8217 3.8217 4.0612 4.0612 4.2396 4.2396 5.1021 5.1021 5.3256 5.3256 5.6301 5.6301 5.7166 5.7166 6.0017 6.0017 6.1946 6.1946 6.8850 6.8850 7.1974 7.1974 10.2809 10.2809 11.4427 11.4427 18.1568 18.1568 18.5998 18.5998 19.8481 19.8481 k = 0.5000 0.3257 0.4009 ( 2174 PWs) bands (ev): 2.5026 2.5026 2.7278 2.7278 2.8792 2.8792 3.1747 3.1747 3.2342 3.2342 3.6815 3.6815 3.8224 3.8224 4.0723 4.0723 4.2451 4.2451 5.0997 5.0997 5.3258 5.3258 5.6183 5.6183 5.7257 5.7257 6.0039 6.0039 6.2045 6.2045 6.8085 6.8085 7.1063 7.1063 10.3426 10.3426 11.5437 11.5437 18.3397 18.3397 18.7933 18.7933 19.7019 19.7019 k = 0.5000 0.3257 0.3848 ( 2172 PWs) bands (ev): 2.4985 2.4985 2.7278 2.7278 2.8779 2.8779 3.1781 3.1781 3.2233 3.2233 3.6802 3.6802 3.8227 3.8227 4.0830 4.0830 4.2497 4.2497 5.0964 5.0964 5.3245 5.3245 5.6065 5.6065 5.7345 5.7345 6.0052 6.0052 6.2148 6.2148 6.7377 6.7377 7.0187 7.0187 10.4090 10.4090 11.6449 11.6449 18.5096 18.5096 18.9698 18.9698 19.5206 19.5206 k = 0.5000 0.3257 0.3688 ( 2176 PWs) bands (ev): 2.4942 2.4942 2.7279 2.7279 2.8773 2.8773 3.1811 3.1811 3.2139 3.2139 3.6791 3.6791 3.8227 3.8227 4.0931 4.0931 4.2533 4.2533 5.0918 5.0918 5.3211 5.3211 5.5954 5.5954 5.7428 5.7428 6.0053 6.0053 6.2255 6.2255 6.6725 6.6725 6.9351 6.9351 10.4802 10.4802 11.7462 11.7462 18.6480 18.6480 19.0860 19.0860 19.3984 19.3984 k = 0.5000 0.3257 0.3528 ( 2172 PWs) bands (ev): 2.4899 2.4899 2.7281 2.7281 2.8773 2.8773 3.1821 3.1821 3.2078 3.2078 3.6782 3.6782 3.8223 3.8223 4.1028 4.1028 4.2557 4.2557 5.0857 5.0857 5.3155 5.3155 5.5857 5.5857 5.7505 5.7505 6.0044 6.0044 6.2364 6.2364 6.6123 6.6123 6.8565 6.8565 10.5560 10.5560 11.8475 11.8475 18.6815 18.6815 19.0998 19.0998 19.4636 19.4636 k = 0.5000 0.3257 0.3367 ( 2176 PWs) bands (ev): 2.4855 2.4855 2.7283 2.7283 2.8780 2.8780 3.1787 3.1787 3.2073 3.2073 3.6776 3.6776 3.8216 3.8216 4.1118 4.1118 4.2570 4.2570 5.0776 5.0776 5.3074 5.3074 5.5778 5.5778 5.7576 5.7576 6.0022 6.0022 6.2474 6.2474 6.5565 6.5565 6.7840 6.7840 10.6366 10.6366 11.9484 11.9484 18.5430 18.5430 19.1845 19.1845 19.6156 19.6156 k = 0.5000 0.3257 0.3207 ( 2174 PWs) bands (ev): 2.4812 2.4812 2.7285 2.7285 2.8795 2.8795 3.1720 3.1720 3.2116 3.2116 3.6772 3.6772 3.8206 3.8206 4.1203 4.1203 4.2569 4.2569 5.0669 5.0669 5.2974 5.2974 5.5720 5.5720 5.7640 5.7640 5.9989 5.9989 6.2583 6.2583 6.5039 6.5039 6.7187 6.7187 10.7220 10.7220 12.0488 12.0488 18.3255 18.3255 19.3244 19.3244 19.7800 19.7800 k = 0.5000 0.3257 0.3047 ( 2174 PWs) bands (ev): 2.4769 2.4769 2.7286 2.7286 2.8816 2.8816 3.1642 3.1642 3.2184 3.2184 3.6770 3.6770 3.8194 3.8194 4.1282 4.1282 4.2555 4.2555 5.0530 5.0530 5.2860 5.2860 5.5682 5.5682 5.7699 5.7699 5.9945 5.9945 6.2686 6.2686 6.4538 6.4538 6.6620 6.6620 10.8121 10.8121 12.1485 12.1485 18.0854 18.0854 19.4780 19.4780 19.9435 19.9435 k = 0.5000 0.3257 0.2886 ( 2174 PWs) bands (ev): 2.4727 2.4727 2.7287 2.7287 2.8844 2.8844 3.1564 3.1564 3.2267 3.2267 3.6770 3.6770 3.8179 3.8179 4.1354 4.1354 4.2526 4.2526 5.0354 5.0354 5.2745 5.2745 5.5661 5.5661 5.7753 5.7753 5.9889 5.9889 6.2768 6.2768 6.4062 6.4062 6.6148 6.6148 10.9071 10.9071 12.2470 12.2470 17.8379 17.8379 19.6341 19.6341 20.1027 20.1027 k = 0.5000 0.3257 0.2726 ( 2174 PWs) bands (ev): 2.4686 2.4686 2.7286 2.7286 2.8879 2.8879 3.1489 3.1489 3.2361 3.2361 3.6773 3.6773 3.8161 3.8161 4.1421 4.1421 4.2482 4.2482 5.0139 5.0139 5.2637 5.2637 5.5653 5.5653 5.7801 5.7801 5.9825 5.9825 6.2783 6.2783 6.3656 6.3656 6.5769 6.5769 11.0067 11.0067 12.3443 12.3443 17.5883 17.5883 19.7896 19.7896 20.2555 20.2555 k = 0.5000 0.3257 0.2566 ( 2182 PWs) bands (ev): 2.4645 2.4645 2.7283 2.7283 2.8920 2.8920 3.1419 3.1419 3.2466 3.2466 3.6776 3.6776 3.8141 3.8141 4.1480 4.1480 4.2424 4.2424 4.9887 4.9887 5.2545 5.2545 5.5650 5.5650 5.7846 5.7846 5.9753 5.9753 6.2612 6.2612 6.3443 6.3443 6.5473 6.5473 11.1111 11.1111 12.4400 12.4400 17.3388 17.3388 19.9432 19.9432 20.3952 20.3952 k = 0.5000 0.3257 0.2405 ( 2182 PWs) bands (ev): 2.4606 2.4606 2.7280 2.7280 2.8966 2.8966 3.1356 3.1356 3.2582 3.2582 3.6782 3.6782 3.8117 3.8117 4.1534 4.1534 4.2351 4.2351 4.9602 4.9602 5.2472 5.2472 5.5649 5.5649 5.7888 5.7888 5.9675 5.9675 6.2249 6.2249 6.3439 6.3439 6.5247 6.5247 11.2201 11.2201 12.5339 12.5339 17.0909 17.0909 20.0941 20.0941 20.4764 20.4764 k = 0.5000 0.3257 0.2245 ( 2182 PWs) bands (ev): 2.4568 2.4568 2.7275 2.7275 2.9018 2.9018 3.1298 3.1298 3.2707 3.2707 3.6789 3.6789 3.8090 3.8090 4.1580 4.1580 4.2267 4.2267 4.9293 4.9293 5.2417 5.2417 5.5641 5.5641 5.7926 5.7926 5.9591 5.9591 6.1832 6.1832 6.3517 6.3517 6.5076 6.5076 11.3335 11.3335 12.6256 12.6256 16.8452 16.8452 20.2414 20.2414 20.4112 20.4112 k = 0.5000 0.3257 0.2085 ( 2182 PWs) bands (ev): 2.4532 2.4532 2.7268 2.7268 2.9074 2.9074 3.1247 3.1247 3.2841 3.2841 3.6796 3.6796 3.8058 3.8058 4.1617 4.1617 4.2174 4.2174 4.8970 4.8970 5.2381 5.2381 5.5624 5.5624 5.7963 5.7963 5.9503 5.9503 6.1426 6.1426 6.3618 6.3618 6.4948 6.4948 11.4513 11.4513 12.7149 12.7149 16.6022 16.6022 20.2935 20.2935 20.3917 20.3917 k = 0.5000 0.3257 0.1924 ( 2182 PWs) bands (ev): 2.4497 2.4497 2.7260 2.7260 2.9133 2.9133 3.1203 3.1203 3.2985 3.2985 3.6803 3.6803 3.8021 3.8021 4.1642 4.1642 4.2077 4.2077 4.8640 4.8640 5.2359 5.2359 5.5592 5.5592 5.7998 5.7998 5.9412 5.9412 6.1056 6.1056 6.3726 6.3726 6.4852 6.4852 11.5731 11.5731 12.8016 12.8016 16.3625 16.3625 20.1810 20.1810 20.5309 20.5309 k = 0.5000 0.3257 0.1764 ( 2178 PWs) bands (ev): 2.4465 2.4465 2.7251 2.7251 2.9195 2.9195 3.1164 3.1164 3.3138 3.3138 3.6810 3.6810 3.7978 3.7978 4.1646 4.1646 4.1990 4.1990 4.8313 4.8313 5.2350 5.2350 5.5542 5.5542 5.8031 5.8031 5.9319 5.9319 6.0730 6.0730 6.3834 6.3834 6.4781 6.4781 11.6984 11.6984 12.8855 12.8855 16.1265 16.1265 20.0708 20.0708 20.6682 20.6682 k = 0.5000 0.3257 0.1604 ( 2178 PWs) bands (ev): 2.4435 2.4435 2.7240 2.7240 2.9257 2.9257 3.1131 3.1131 3.3298 3.3298 3.6816 3.6816 3.7927 3.7927 4.1613 4.1613 4.1929 4.1929 4.7995 4.7995 5.2352 5.2352 5.5474 5.5474 5.8063 5.8063 5.9227 5.9227 6.0454 6.0454 6.3940 6.3940 6.4729 6.4729 11.8269 11.8269 12.9665 12.9665 15.8944 15.8944 19.9668 19.9668 20.8010 20.8010 k = 0.5000 0.3257 0.1443 ( 2178 PWs) bands (ev): 2.4407 2.4407 2.7229 2.7229 2.9318 2.9318 3.1104 3.1104 3.3465 3.3465 3.6820 3.6820 3.7869 3.7869 4.1539 4.1539 4.1904 4.1904 4.7691 4.7691 5.2363 5.2363 5.5388 5.5388 5.8093 5.8093 5.9138 5.9138 6.0224 6.0224 6.4039 6.4039 6.4691 6.4691 11.9577 11.9577 13.0447 13.0447 15.6667 15.6667 19.8701 19.8701 20.9284 20.9284 k = 0.5000 0.3257 0.1283 ( 2178 PWs) bands (ev): 2.4382 2.4382 2.7218 2.7218 2.9377 2.9377 3.1081 3.1081 3.3638 3.3638 3.6820 3.6820 3.7804 3.7804 4.1441 4.1441 4.1903 4.1903 4.7408 4.7408 5.2380 5.2380 5.5287 5.5287 5.8122 5.8122 5.9056 5.9056 6.0038 6.0038 6.4132 6.4132 6.4664 6.4664 12.0896 12.0896 13.1205 13.1205 15.4437 15.4437 19.7815 19.7815 21.0493 21.0493 k = 0.5000 0.3257 0.1122 ( 2184 PWs) bands (ev): 2.4359 2.4359 2.7206 2.7206 2.9433 2.9433 3.1062 3.1062 3.3813 3.3813 3.6815 3.6815 3.7731 3.7731 4.1336 4.1336 4.1912 4.1912 4.7149 4.7149 5.2403 5.2403 5.5176 5.5176 5.8149 5.8149 5.8984 5.8984 5.9888 5.9888 6.4217 6.4217 6.4644 6.4644 12.2211 12.2211 13.1947 13.1947 15.2258 15.2258 19.7016 19.7016 21.1626 21.1626 k = 0.5000 0.3257 0.0962 ( 2176 PWs) bands (ev): 2.4339 2.4339 2.7196 2.7196 2.9485 2.9485 3.1049 3.1049 3.3990 3.3990 3.6803 3.6803 3.7655 3.7655 4.1237 4.1237 4.1924 4.1924 4.6916 4.6916 5.2429 5.2429 5.5061 5.5061 5.8174 5.8174 5.8925 5.8925 5.9769 5.9769 6.4294 6.4294 6.4630 6.4630 12.3497 12.3497 13.2686 13.2686 15.0137 15.0137 19.6311 19.6311 21.2666 21.2666 k = 0.5000 0.3257 0.0802 ( 2180 PWs) bands (ev): 2.4322 2.4322 2.7185 2.7185 2.9530 2.9530 3.1038 3.1038 3.4162 3.4162 3.6782 3.6782 3.7578 3.7578 4.1147 4.1147 4.1935 4.1935 4.6715 4.6715 5.2457 5.2457 5.4948 5.4948 5.8196 5.8196 5.8878 5.8878 5.9674 5.9674 6.4360 6.4360 6.4619 6.4619 12.4722 12.4722 13.3446 13.3446 14.8081 14.8081 19.5704 19.5704 21.3597 21.3597 k = 0.5000 0.3257 0.0641 ( 2182 PWs) bands (ev): 2.4308 2.4308 2.7177 2.7177 2.9568 2.9568 3.1030 3.1030 3.4324 3.4324 3.6752 3.6752 3.7507 3.7507 4.1072 4.1072 4.1946 4.1946 4.6545 4.6545 5.2485 5.2485 5.4844 5.4844 5.8215 5.8215 5.8843 5.8843 5.9600 5.9600 6.4417 6.4417 6.4611 6.4611 12.5837 12.5837 13.4258 13.4258 14.6100 14.6100 19.5201 19.5201 21.4399 21.4399 k = 0.5000 0.3257 0.0481 ( 2182 PWs) bands (ev): 2.4297 2.4297 2.7170 2.7170 2.9599 2.9599 3.1025 3.1025 3.4468 3.4468 3.6715 3.6715 3.7447 3.7447 4.1013 4.1013 4.1954 4.1954 4.6411 4.6411 5.2510 5.2510 5.4755 5.4755 5.8230 5.8230 5.8818 5.8818 5.9545 5.9545 6.4463 6.4463 6.4604 6.4604 12.6787 12.6787 13.5161 13.5161 14.4210 14.4210 19.4804 19.4804 21.5052 21.5052 k = 0.5000 0.3257 0.0321 ( 2182 PWs) bands (ev): 2.4289 2.4289 2.7165 2.7165 2.9621 2.9621 3.1021 3.1021 3.4584 3.4584 3.6676 3.6676 3.7404 3.7404 4.0971 4.0971 4.1960 4.1960 4.6314 4.6314 5.2530 5.2530 5.4688 5.4688 5.8241 5.8241 5.8802 5.8802 5.9506 5.9506 6.4499 6.4499 6.4596 6.4596 12.7513 12.7513 13.6183 13.6183 14.2438 14.2438 19.4519 19.4519 21.5535 21.5535 k = 0.5000 0.3257 0.0160 ( 2182 PWs) bands (ev): 2.4285 2.4285 2.7162 2.7162 2.9635 2.9635 3.1019 3.1019 3.4660 3.4660 3.6645 3.6645 3.7377 3.7377 4.0945 4.0945 4.1964 4.1964 4.6255 4.6255 5.2543 5.2543 5.4645 5.4645 5.8248 5.8248 5.8793 5.8793 5.9483 5.9483 6.4523 6.4523 6.4589 6.4589 12.7966 12.7966 13.7291 13.7291 14.0863 14.0863 19.4347 19.4347 21.5833 21.5833 k = 0.5000 0.3257 0.0000 ( 2184 PWs) bands (ev): 2.4283 2.4283 2.7160 2.7160 2.9639 2.9639 3.1018 3.1018 3.4687 3.4687 3.6633 3.6633 3.7369 3.7369 4.0937 4.0937 4.1965 4.1965 4.6235 4.6235 5.2548 5.2548 5.4631 5.4631 5.8250 5.8250 5.8791 5.8791 5.9475 5.9475 6.4533 6.4533 6.4586 6.4586 12.8119 12.8119 13.8021 13.8021 13.9976 13.9976 19.4290 19.4290 21.5934 21.5934 k = 0.0000 0.0000 0.9160 ( 2168 PWs) bands (ev): 2.4984 2.4984 2.7619 2.7619 2.9472 2.9472 3.3331 3.3331 3.5797 3.5797 3.6553 3.6553 3.7382 3.7382 3.7571 3.7571 4.1010 4.1010 5.0758 5.0758 5.4212 5.4212 5.4414 5.4414 5.7546 5.7546 5.8803 5.8803 6.1338 6.1338 8.9596 8.9596 9.4239 9.4239 10.3490 10.3490 11.1888 11.1888 12.7391 12.7391 13.2131 13.2131 17.8152 17.8152 k = 0.0132 0.0086 0.9160 ( 2164 PWs) bands (ev): 2.4992 2.4992 2.7618 2.7618 2.9476 2.9476 3.3325 3.3325 3.5797 3.5797 3.6554 3.6554 3.7377 3.7377 3.7579 3.7579 4.1001 4.1001 5.0764 5.0764 5.4209 5.4209 5.4403 5.4403 5.7554 5.7554 5.8808 5.8808 6.1326 6.1326 8.9594 8.9594 9.4276 9.4276 10.3436 10.3436 11.1998 11.1998 12.6989 12.6989 13.2552 13.2552 17.5969 17.5969 k = 0.0263 0.0171 0.9160 ( 2160 PWs) bands (ev): 2.5017 2.5017 2.7612 2.7612 2.9484 2.9484 3.3303 3.3303 3.5794 3.5794 3.6557 3.6557 3.7362 3.7362 3.7602 3.7602 4.0975 4.0975 5.0782 5.0782 5.4200 5.4200 5.4371 5.4371 5.7577 5.7577 5.8823 5.8823 6.1290 6.1290 8.9588 8.9588 9.4386 9.4386 10.3281 10.3281 11.2317 11.2317 12.6045 12.6045 13.3553 13.3553 17.3492 17.3492 k = 0.0395 0.0257 0.9160 ( 2160 PWs) bands (ev): 2.5057 2.5057 2.7602 2.7602 2.9499 2.9499 3.3266 3.3266 3.5791 3.5791 3.6563 3.6563 3.7342 3.7342 3.7635 3.7635 4.0933 4.0933 5.0812 5.0812 5.4185 5.4185 5.4321 5.4321 5.7612 5.7612 5.8847 5.8847 6.1230 6.1230 8.9578 8.9578 9.4569 9.4569 10.3048 10.3048 11.2822 11.2822 12.4882 12.4882 13.4812 13.4812 17.1032 17.1032 k = 0.0526 0.0343 0.9160 ( 2158 PWs) bands (ev): 2.5113 2.5113 2.7589 2.7589 2.9520 2.9520 3.3215 3.3215 3.5786 3.5786 3.6570 3.6570 3.7319 3.7319 3.7675 3.7675 4.0876 4.0876 5.0853 5.0853 5.4160 5.4160 5.4259 5.4259 5.7657 5.7657 5.8880 5.8880 6.1150 6.1150 8.9565 8.9565 9.4822 9.4822 10.2761 10.2761 11.3484 11.3484 12.3641 12.3641 13.6189 13.6189 16.8597 16.8597 k = 0.0658 0.0429 0.9160 ( 2158 PWs) bands (ev): 2.5183 2.5183 2.7571 2.7571 2.9548 2.9548 3.3151 3.3151 3.5779 3.5779 3.6578 3.6578 3.7294 3.7294 3.7719 3.7719 4.0807 4.0807 5.0904 5.0904 5.4118 5.4118 5.4196 5.4196 5.7708 5.7708 5.8921 5.8921 6.1052 6.1052 8.9550 8.9550 9.5144 9.5144 10.2446 10.2446 11.4271 11.4271 12.2384 12.2384 13.7629 13.7629 16.6195 16.6195 k = 0.0789 0.0514 0.9160 ( 2156 PWs) bands (ev): 2.5266 2.5266 2.7549 2.7549 2.9582 2.9582 3.3075 3.3075 3.5770 3.5770 3.6587 3.6587 3.7266 3.7266 3.7767 3.7767 4.0730 4.0730 5.0966 5.0966 5.4050 5.4050 5.4147 5.4147 5.7762 5.7762 5.8967 5.8967 6.0938 6.0938 8.9533 8.9533 9.5532 9.5532 10.2121 10.2121 11.5146 11.5146 12.1149 12.1149 13.9105 13.9105 16.3829 16.3829 k = 0.0921 0.0600 0.9160 ( 2160 PWs) bands (ev): 2.5362 2.5362 2.7523 2.7523 2.9625 2.9625 3.2985 3.2985 3.5761 3.5761 3.6595 3.6595 3.7236 3.7236 3.7817 3.7817 4.0648 4.0648 5.1037 5.1037 5.3964 5.3964 5.4106 5.4106 5.7818 5.7818 5.9016 5.9016 6.0813 6.0813 8.9514 8.9514 9.5983 9.5983 10.1800 10.1800 11.6042 11.6042 12.0000 12.0001 14.0602 14.0602 16.1506 16.1506 k = 0.1053 0.0686 0.9160 ( 2160 PWs) bands (ev): 2.5467 2.5467 2.7493 2.7493 2.9678 2.9678 3.2884 3.2884 3.5750 3.5750 3.6603 3.6603 3.7202 3.7202 3.7868 3.7868 4.0564 4.0564 5.1116 5.1116 5.3872 5.3872 5.4063 5.4063 5.7873 5.7873 5.9064 5.9064 6.0683 6.0683 8.9495 8.9495 9.6495 9.6495 10.1491 10.1491 11.6706 11.6706 11.9185 11.9185 14.2106 14.2106 15.9237 15.9237 k = 0.1184 0.0771 0.9160 ( 2168 PWs) bands (ev): 2.5581 2.5581 2.7457 2.7457 2.9739 2.9739 3.2771 3.2771 3.5738 3.5738 3.6610 3.6610 3.7165 3.7165 3.7918 3.7918 4.0482 4.0482 5.1202 5.1202 5.3781 5.3781 5.4016 5.4016 5.7928 5.7928 5.9108 5.9108 6.0552 6.0552 8.9476 8.9476 9.7063 9.7063 10.1201 10.1201 11.6452 11.6452 11.9382 11.9382 14.3593 14.3593 15.7042 15.7042 k = 0.1316 0.0857 0.9160 ( 2174 PWs) bands (ev): 2.5701 2.5701 2.7417 2.7417 2.9812 2.9812 3.2647 3.2647 3.5725 3.5725 3.6617 3.6617 3.7125 3.7125 3.7966 3.7966 4.0405 4.0405 5.1294 5.1294 5.3695 5.3695 5.3964 5.3964 5.7982 5.7982 5.9140 5.9140 6.0427 6.0427 8.9457 8.9457 9.7685 9.7685 10.0936 10.0936 11.5489 11.5489 12.0380 12.0380 14.5019 14.5019 15.4966 15.4966 k = 0.1447 0.0943 0.9160 ( 2178 PWs) bands (ev): 2.5826 2.5826 2.7373 2.7373 2.9895 2.9895 3.2513 3.2513 3.5710 3.5710 3.6623 3.6623 3.7083 3.7083 3.8012 3.8012 4.0335 4.0335 5.1389 5.1389 5.3614 5.3614 5.3907 5.3907 5.8035 5.8035 5.9156 5.9156 6.0316 6.0316 8.9439 8.9439 9.8358 9.8358 10.0696 10.0696 11.4360 11.4360 12.1631 12.1631 14.6255 14.6255 15.3140 15.3140 k = 0.1579 0.1029 0.9160 ( 2178 PWs) bands (ev): 2.5954 2.5954 2.7324 2.7324 2.9990 2.9990 3.2370 3.2370 3.5696 3.5696 3.6629 3.6629 3.7038 3.7038 3.8053 3.8053 4.0274 4.0274 5.1486 5.1486 5.3543 5.3543 5.3844 5.3844 5.8088 5.8088 5.9150 5.9150 6.0225 6.0225 8.9422 8.9422 9.9075 9.9075 10.0487 10.0487 11.3199 11.3199 12.2998 12.2998 14.6894 14.6894 15.1970 15.1970 k = 0.1711 0.1114 0.9160 ( 2180 PWs) bands (ev): 2.6082 2.6082 2.7270 2.7270 3.0097 3.0097 3.2219 3.2219 3.5680 3.5680 3.6636 3.6636 3.6993 3.6993 3.8090 3.8090 4.0223 4.0223 5.1582 5.1582 5.3483 5.3483 5.3778 5.3778 5.8142 5.8142 5.9119 5.9119 6.0159 6.0159 8.9407 8.9407 9.9820 9.9820 10.0324 10.0324 11.2039 11.2039 12.4441 12.4441 14.6310 14.6310 15.2086 15.2086 k = 0.1842 0.1200 0.9160 ( 2180 PWs) bands (ev): 2.6209 2.6209 2.7210 2.7210 3.0214 3.0214 3.2062 3.2062 3.5666 3.5666 3.6643 3.6643 3.6949 3.6949 3.8122 3.8122 4.0181 4.0181 5.1674 5.1674 5.3435 5.3435 5.3709 5.3709 5.8198 5.8198 5.9064 5.9064 6.0117 6.0117 8.9394 8.9394 10.0104 10.0104 10.0691 10.0691 11.0894 11.0894 12.5940 12.5940 14.4837 14.4837 15.3158 15.3158 k = 0.1974 0.1286 0.9160 ( 2184 PWs) bands (ev): 2.6332 2.6332 2.7144 2.7144 3.0339 3.0339 3.1902 3.1902 3.5653 3.5653 3.6651 3.6651 3.6908 3.6908 3.8149 3.8149 4.0149 4.0149 5.1758 5.1758 5.3402 5.3402 5.3638 5.3638 5.8255 5.8255 5.8993 5.8993 6.0095 6.0095 8.9383 8.9383 9.9993 9.9993 10.1520 10.1520 10.9771 10.9771 12.7475 12.7475 14.3089 14.3089 15.4575 15.4575 k = 0.2105 0.1372 0.9160 ( 2188 PWs) bands (ev): 2.6451 2.6451 2.7072 2.7072 3.0470 3.0470 3.1743 3.1743 3.5641 3.5641 3.6662 3.6662 3.6870 3.6870 3.8169 3.8169 4.0126 4.0126 5.1830 5.1830 5.3384 5.3384 5.3568 5.3568 5.8313 5.8313 5.8914 5.8914 6.0086 6.0086 8.9375 8.9375 9.9897 9.9897 10.2393 10.2393 10.8678 10.8678 12.9016 12.9016 14.1313 14.1313 15.6105 15.6105 k = 0.2237 0.1457 0.9160 ( 2188 PWs) bands (ev): 2.6563 2.6563 2.6994 2.6994 3.0597 3.0597 3.1594 3.1594 3.5632 3.5632 3.6674 3.6674 3.6837 3.6837 3.8184 3.8184 4.0111 4.0111 5.1886 5.1886 5.3383 5.3383 5.3501 5.3501 5.8368 5.8368 5.8839 5.8839 6.0084 6.0084 8.9369 8.9369 9.9827 9.9827 10.3287 10.3287 10.7628 10.7628 13.0501 13.0501 13.9639 13.9639 15.7640 15.7640 k = 0.2368 0.1543 0.9160 ( 2192 PWs) bands (ev): 2.6666 2.6666 2.6911 2.6911 3.0703 3.0703 3.1475 3.1475 3.5626 3.5626 3.6687 3.6687 3.6810 3.6810 3.8192 3.8192 4.0102 4.0102 5.1922 5.1922 5.3399 5.3399 5.3442 5.3442 5.8412 5.8412 5.8781 5.8781 6.0085 6.0085 8.9366 8.9366 9.9785 9.9785 10.4155 10.4155 10.6667 10.6667 13.1757 13.1757 13.8264 13.8264 15.9019 15.9019 k = 0.2500 0.1629 0.9160 ( 2188 PWs) bands (ev): 2.6747 2.6747 2.6838 2.6838 3.0754 3.0754 3.1420 3.1420 3.5625 3.5625 3.6701 3.6701 3.6791 3.6791 3.8195 3.8195 4.0100 4.0100 5.1935 5.1935 5.3394 5.3394 5.3430 5.3430 5.8427 5.8427 5.8762 5.8762 6.0086 6.0086 8.9366 8.9366 9.9770 9.9770 10.4689 10.4689 10.6102 10.6102 13.2322 13.2322 13.7658 13.7658 15.9695 15.9695 Writing output data file CdHg2.save init_run : 0.49s CPU 1.70s WALL ( 1 calls) electrons : 253.70s CPU 258.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 253.69s CPU 258.23s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 377 calls) cegterg : 241.26s CPU 244.55s WALL ( 895 calls) Called by sum_band: Called by *egterg: h_psi : 154.57s CPU 156.75s WALL ( 14821 calls) s_psi : 5.32s CPU 5.24s WALL ( 14821 calls) g_psi : 0.23s CPU 0.21s WALL ( 13549 calls) cdiaghg : 75.97s CPU 77.19s WALL ( 13926 calls) cegterg:over : 5.76s CPU 6.02s WALL ( 13549 calls) cegterg:upda : 4.16s CPU 4.27s WALL ( 13549 calls) cegterg:last : 2.60s CPU 2.58s WALL ( 2403 calls) cdiaghg:chol : 4.23s CPU 4.12s WALL ( 13926 calls) cdiaghg:inve : 2.27s CPU 2.51s WALL ( 13926 calls) cdiaghg:para : 4.48s CPU 4.33s WALL ( 27852 calls) Called by h_psi: h_psi:vloc : 143.40s CPU 145.22s WALL ( 14821 calls) h_psi:vnl : 11.00s CPU 11.33s WALL ( 14821 calls) add_vuspsi : 6.10s CPU 6.20s WALL ( 14821 calls) General routines calbec : 4.86s CPU 5.09s WALL ( 14821 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.54s CPU 128.97s WALL ( 1290336 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.15s WALL ( 754 calls) Parallel routines fft_scatter : 38.18s CPU 39.08s WALL ( 1290359 calls) PWSCF : 4m26.28s CPU 4m58.85s WALL This run was terminated on: 16:55:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=