Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:45:31 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: ./CaxNiGex2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 41 12 1193 647 104 Max 63 42 13 1195 665 106 Sum 2233 1507 439 42977 23645 3759 bravais-lattice index = 14 lattice parameter (alat) = 10.8923 a.u. unit-cell volume = 560.5539 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.892316 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.749477 celldm(5)= -0.749477 celldm(6)= 0.498954 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.498954 0.866628 0.000000 ) a(3) = ( -0.749477 -0.433314 0.500523 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.575742 0.998956 ) b(2) = ( 0.000000 1.153897 0.998956 ) b(3) = ( 0.000000 0.000000 1.997911 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) Ni 10.00 58.69340 Ni( 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= 357 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0000000 0.0181628), wk = 0.0028011 k( 3) = ( 0.0000000 0.0000000 0.0363257), wk = 0.0028011 k( 4) = ( 0.0000000 0.0000000 0.0544885), wk = 0.0028011 k( 5) = ( 0.0000000 0.0000000 0.0726513), wk = 0.0028011 k( 6) = ( 0.0000000 0.0000000 0.0908142), wk = 0.0028011 k( 7) = ( 0.0000000 0.0000000 0.1089770), wk = 0.0028011 k( 8) = ( 0.0000000 0.0000000 0.1271398), wk = 0.0028011 k( 9) = ( 0.0000000 0.0000000 0.1453026), wk = 0.0028011 k( 10) = ( 0.0000000 0.0000000 0.1634655), wk = 0.0028011 k( 11) = ( 0.0000000 0.0000000 0.1816283), wk = 0.0028011 k( 12) = ( 0.0000000 0.0000000 0.1997911), wk = 0.0028011 k( 13) = ( 0.0000000 0.0000000 0.2179540), wk = 0.0028011 k( 14) = ( 0.0000000 0.0000000 0.2361168), wk = 0.0028011 k( 15) = ( 0.0000000 0.0000000 0.2542796), wk = 0.0028011 k( 16) = ( 0.0000000 0.0000000 0.2724425), wk = 0.0028011 k( 17) = ( 0.0000000 0.0000000 0.2906053), wk = 0.0028011 k( 18) = ( 0.0000000 0.0000000 0.3087681), wk = 0.0028011 k( 19) = ( 0.0000000 0.0000000 0.3269309), wk = 0.0028011 k( 20) = ( 0.0000000 0.0000000 0.3450938), wk = 0.0028011 k( 21) = ( 0.0000000 0.0000000 0.3632566), wk = 0.0028011 k( 22) = ( 0.0000000 0.0000000 0.3814194), wk = 0.0028011 k( 23) = ( 0.0000000 0.0000000 0.3995823), wk = 0.0028011 k( 24) = ( 0.0000000 0.0000000 0.4177451), wk = 0.0028011 k( 25) = ( 0.0000000 0.0000000 0.4359079), wk = 0.0028011 k( 26) = ( 0.0000000 0.0000000 0.4540708), wk = 0.0028011 k( 27) = ( 0.0000000 0.0000000 0.4722336), wk = 0.0028011 k( 28) = ( 0.0000000 0.0000000 0.4903964), wk = 0.0028011 k( 29) = ( 0.0000000 0.0000000 0.5085592), wk = 0.0028011 k( 30) = ( 0.0000000 0.0000000 0.5267221), wk = 0.0028011 k( 31) = ( 0.0000000 0.0000000 0.5448849), wk = 0.0028011 k( 32) = ( 0.0000000 0.0000000 0.5630477), wk = 0.0028011 k( 33) = ( 0.0000000 0.0000000 0.5812106), wk = 0.0028011 k( 34) = ( 0.0000000 0.0000000 0.5993734), wk = 0.0028011 k( 35) = ( 0.0000000 0.0000000 0.6175362), wk = 0.0028011 k( 36) = ( 0.0000000 0.0000000 0.6356991), wk = 0.0028011 k( 37) = ( 0.0000000 0.0000000 0.6538619), wk = 0.0028011 k( 38) = ( 0.0000000 0.0000000 0.6720247), wk = 0.0028011 k( 39) = ( 0.0000000 0.0000000 0.6901876), wk = 0.0028011 k( 40) = ( 0.0000000 0.0000000 0.7083504), wk = 0.0028011 k( 41) = ( 0.0000000 0.0000000 0.7265132), wk = 0.0028011 k( 42) = ( 0.0000000 0.0000000 0.7446761), wk = 0.0028011 k( 43) = ( 0.0000000 0.0000000 0.7628389), wk = 0.0028011 k( 44) = ( 0.0000000 0.0000000 0.7810017), wk = 0.0028011 k( 45) = ( 0.0000000 0.0000000 0.7991645), wk = 0.0028011 k( 46) = ( 0.0000000 0.0000000 0.8173274), wk = 0.0028011 k( 47) = ( 0.0000000 0.0000000 0.8354902), wk = 0.0028011 k( 48) = ( 0.0000000 0.0000000 0.8536530), wk = 0.0028011 k( 49) = ( 0.0000000 0.0000000 0.8718159), wk = 0.0028011 k( 50) = ( 0.0000000 0.0000000 0.8899787), wk = 0.0028011 k( 51) = ( 0.0000000 0.0000000 0.9081415), wk = 0.0028011 k( 52) = ( 0.0000000 0.0000000 0.9263044), wk = 0.0028011 k( 53) = ( 0.0000000 0.0000000 0.9444672), wk = 0.0028011 k( 54) = ( 0.0000000 0.0000000 0.9626300), wk = 0.0028011 k( 55) = ( 0.0000000 0.0000000 0.9807929), wk = 0.0028011 k( 56) = ( 0.0000000 0.0000000 0.9989557), wk = 0.0028011 k( 57) = ( 0.0000000 0.0000000 0.9989557), wk = 0.0028011 k( 58) = ( -0.0083566 0.0144539 0.9989557), wk = 0.0028011 k( 59) = ( -0.0167132 0.0289078 0.9989557), wk = 0.0028011 k( 60) = ( -0.0250698 0.0433617 0.9989557), wk = 0.0028011 k( 61) = ( -0.0334264 0.0578155 0.9989557), wk = 0.0028011 k( 62) = ( -0.0417830 0.0722694 0.9989557), wk = 0.0028011 k( 63) = ( -0.0501396 0.0867233 0.9989557), wk = 0.0028011 k( 64) = ( -0.0584961 0.1011772 0.9989557), wk = 0.0028011 k( 65) = ( -0.0668527 0.1156311 0.9989557), wk = 0.0028011 k( 66) = ( -0.0752093 0.1300850 0.9989557), wk = 0.0028011 k( 67) = ( -0.0835659 0.1445389 0.9989557), wk = 0.0028011 k( 68) = ( -0.0835659 0.1445389 0.9989557), wk = 0.0028011 k( 69) = ( -0.0898755 0.1554522 0.9863496), wk = 0.0028011 k( 70) = ( -0.0961851 0.1663655 0.9737436), wk = 0.0028011 k( 71) = ( -0.1024947 0.1772789 0.9611376), wk = 0.0028011 k( 72) = ( -0.1088044 0.1881922 0.9485315), wk = 0.0028011 k( 73) = ( -0.1151140 0.1991056 0.9359255), wk = 0.0028011 k( 74) = ( -0.1214236 0.2100189 0.9233195), wk = 0.0028011 k( 75) = ( -0.1277332 0.2209322 0.9107134), wk = 0.0028011 k( 76) = ( -0.1340428 0.2318456 0.8981074), wk = 0.0028011 k( 77) = ( -0.1403524 0.2427589 0.8855014), wk = 0.0028011 k( 78) = ( -0.1466620 0.2536723 0.8728953), wk = 0.0028011 k( 79) = ( -0.1529716 0.2645856 0.8602893), wk = 0.0028011 k( 80) = ( -0.1592812 0.2754990 0.8476832), wk = 0.0028011 k( 81) = ( -0.1655908 0.2864123 0.8350772), wk = 0.0028011 k( 82) = ( -0.1719004 0.2973256 0.8224712), wk = 0.0028011 k( 83) = ( -0.1782100 0.3082390 0.8098651), wk = 0.0028011 k( 84) = ( -0.1845196 0.3191523 0.7972591), wk = 0.0028011 k( 85) = ( -0.1908293 0.3300656 0.7846531), wk = 0.0028011 k( 86) = ( -0.1971389 0.3409790 0.7720470), wk = 0.0028011 k( 87) = ( -0.2034485 0.3518923 0.7594410), wk = 0.0028011 k( 88) = ( -0.2097581 0.3628057 0.7468350), wk = 0.0028011 k( 89) = ( -0.2160677 0.3737190 0.7342289), wk = 0.0028011 k( 90) = ( -0.2223773 0.3846324 0.7216229), wk = 0.0028011 k( 91) = ( -0.2286869 0.3955457 0.7090169), wk = 0.0028011 k( 92) = ( -0.2349965 0.4064590 0.6964108), wk = 0.0028011 k( 93) = ( -0.2413061 0.4173724 0.6838048), wk = 0.0028011 k( 94) = ( -0.2476157 0.4282857 0.6711987), wk = 0.0028011 k( 95) = ( -0.2539253 0.4391990 0.6585927), wk = 0.0028011 k( 96) = ( -0.2602349 0.4501124 0.6459867), wk = 0.0028011 k( 97) = ( -0.2665445 0.4610257 0.6333806), wk = 0.0028011 k( 98) = ( -0.2728541 0.4719391 0.6207746), wk = 0.0028011 k( 99) = ( -0.2791637 0.4828524 0.6081686), wk = 0.0028011 k( 100) = ( -0.2854734 0.4937658 0.5955625), wk = 0.0028011 k( 101) = ( -0.2917830 0.5046791 0.5829565), wk = 0.0028011 k( 102) = ( -0.2917830 0.5046791 0.5829565), wk = 0.0028011 k( 103) = ( -0.2852989 0.4934640 0.5700019), wk = 0.0028011 k( 104) = ( -0.2788148 0.4822489 0.5570473), wk = 0.0028011 k( 105) = ( -0.2723308 0.4710338 0.5440927), wk = 0.0028011 k( 106) = ( -0.2658467 0.4598187 0.5311381), wk = 0.0028011 k( 107) = ( -0.2593626 0.4486036 0.5181836), wk = 0.0028011 k( 108) = ( -0.2528786 0.4373885 0.5052290), wk = 0.0028011 k( 109) = ( -0.2463945 0.4261734 0.4922744), wk = 0.0028011 k( 110) = ( -0.2399104 0.4149584 0.4793198), wk = 0.0028011 k( 111) = ( -0.2334264 0.4037433 0.4663652), wk = 0.0028011 k( 112) = ( -0.2269423 0.3925282 0.4534106), wk = 0.0028011 k( 113) = ( -0.2204582 0.3813131 0.4404560), wk = 0.0028011 k( 114) = ( -0.2139742 0.3700980 0.4275014), wk = 0.0028011 k( 115) = ( -0.2074901 0.3588829 0.4145469), wk = 0.0028011 k( 116) = ( -0.2010060 0.3476678 0.4015923), wk = 0.0028011 k( 117) = ( -0.1945220 0.3364527 0.3886377), wk = 0.0028011 k( 118) = ( -0.1880379 0.3252376 0.3756831), wk = 0.0028011 k( 119) = ( -0.1815538 0.3140225 0.3627285), wk = 0.0028011 k( 120) = ( -0.1750698 0.3028075 0.3497739), wk = 0.0028011 k( 121) = ( -0.1685857 0.2915924 0.3368193), wk = 0.0028011 k( 122) = ( -0.1621017 0.2803773 0.3238647), wk = 0.0028011 k( 123) = ( -0.1556176 0.2691622 0.3109101), wk = 0.0028011 k( 124) = ( -0.1491335 0.2579471 0.2979556), wk = 0.0028011 k( 125) = ( -0.1426495 0.2467320 0.2850010), wk = 0.0028011 k( 126) = ( -0.1361654 0.2355169 0.2720464), wk = 0.0028011 k( 127) = ( -0.1296813 0.2243018 0.2590918), wk = 0.0028011 k( 128) = ( -0.1231972 0.2130867 0.2461372), wk = 0.0028011 k( 129) = ( -0.1167132 0.2018716 0.2331826), wk = 0.0028011 k( 130) = ( -0.1102291 0.1906565 0.2202280), wk = 0.0028011 k( 131) = ( -0.1037451 0.1794414 0.2072734), wk = 0.0028011 k( 132) = ( -0.0972610 0.1682264 0.1943188), wk = 0.0028011 k( 133) = ( -0.0907769 0.1570113 0.1813642), wk = 0.0028011 k( 134) = ( -0.0842929 0.1457962 0.1684097), wk = 0.0028011 k( 135) = ( -0.0778088 0.1345811 0.1554551), wk = 0.0028011 k( 136) = ( -0.0713247 0.1233660 0.1425005), wk = 0.0028011 k( 137) = ( -0.0648407 0.1121509 0.1295459), wk = 0.0028011 k( 138) = ( -0.0583566 0.1009358 0.1165913), wk = 0.0028011 k( 139) = ( -0.0518725 0.0897207 0.1036367), wk = 0.0028011 k( 140) = ( -0.0453885 0.0785056 0.0906821), wk = 0.0028011 k( 141) = ( -0.0389044 0.0672906 0.0777275), wk = 0.0028011 k( 142) = ( -0.0324203 0.0560755 0.0647729), wk = 0.0028011 k( 143) = ( -0.0259363 0.0448604 0.0518183), wk = 0.0028011 k( 144) = ( -0.0194522 0.0336453 0.0388638), wk = 0.0028011 k( 145) = ( -0.0129681 0.0224302 0.0259092), wk = 0.0028011 k( 146) = ( -0.0064841 0.0112151 0.0129546), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 149) = ( 0.0156250 0.0090337 0.0000000), wk = 0.0028011 k( 150) = ( 0.0312500 0.0180674 0.0000000), wk = 0.0028011 k( 151) = ( 0.0468750 0.0271010 0.0000000), wk = 0.0028011 k( 152) = ( 0.0625000 0.0361347 0.0000000), wk = 0.0028011 k( 153) = ( 0.0781250 0.0451684 0.0000000), wk = 0.0028011 k( 154) = ( 0.0937500 0.0542021 0.0000000), wk = 0.0028011 k( 155) = ( 0.1093750 0.0632358 0.0000000), wk = 0.0028011 k( 156) = ( 0.1250000 0.0722694 0.0000000), wk = 0.0028011 k( 157) = ( 0.1406250 0.0813031 0.0000000), wk = 0.0028011 k( 158) = ( 0.1562500 0.0903368 0.0000000), wk = 0.0028011 k( 159) = ( 0.1718750 0.0993705 0.0000000), wk = 0.0028011 k( 160) = ( 0.1875000 0.1084041 0.0000000), wk = 0.0028011 k( 161) = ( 0.2031250 0.1174378 0.0000000), wk = 0.0028011 k( 162) = ( 0.2187500 0.1264715 0.0000000), wk = 0.0028011 k( 163) = ( 0.2343750 0.1355052 0.0000000), wk = 0.0028011 k( 164) = ( 0.2500000 0.1445389 0.0000000), wk = 0.0028011 k( 165) = ( 0.2656250 0.1535725 0.0000000), wk = 0.0028011 k( 166) = ( 0.2812500 0.1626062 0.0000000), wk = 0.0028011 k( 167) = ( 0.2968750 0.1716399 0.0000000), wk = 0.0028011 k( 168) = ( 0.3125000 0.1806736 0.0000000), wk = 0.0028011 k( 169) = ( 0.3281250 0.1897073 0.0000000), wk = 0.0028011 k( 170) = ( 0.3437500 0.1987409 0.0000000), wk = 0.0028011 k( 171) = ( 0.3593750 0.2077746 0.0000000), wk = 0.0028011 k( 172) = ( 0.3750000 0.2168083 0.0000000), wk = 0.0028011 k( 173) = ( 0.3906250 0.2258420 0.0000000), wk = 0.0028011 k( 174) = ( 0.4062500 0.2348756 0.0000000), wk = 0.0028011 k( 175) = ( 0.4218750 0.2439093 0.0000000), wk = 0.0028011 k( 176) = ( 0.4375000 0.2529430 0.0000000), wk = 0.0028011 k( 177) = ( 0.4531250 0.2619767 0.0000000), wk = 0.0028011 k( 178) = ( 0.4687500 0.2710104 0.0000000), wk = 0.0028011 k( 179) = ( 0.4843750 0.2800440 0.0000000), wk = 0.0028011 k( 180) = ( 0.5000000 0.2890777 0.0000000), wk = 0.0028011 k( 181) = ( 0.5000000 0.2890777 0.0000000), wk = 0.0028011 k( 182) = ( 0.4936904 0.2999911 0.0126060), wk = 0.0028011 k( 183) = ( 0.4873808 0.3109044 0.0252121), wk = 0.0028011 k( 184) = ( 0.4810712 0.3218177 0.0378181), wk = 0.0028011 k( 185) = ( 0.4747616 0.3327311 0.0504241), wk = 0.0028011 k( 186) = ( 0.4684520 0.3436444 0.0630302), wk = 0.0028011 k( 187) = ( 0.4621424 0.3545578 0.0756362), wk = 0.0028011 k( 188) = ( 0.4558328 0.3654711 0.0882423), wk = 0.0028011 k( 189) = ( 0.4495231 0.3763844 0.1008483), wk = 0.0028011 k( 190) = ( 0.4432135 0.3872978 0.1134543), wk = 0.0028011 k( 191) = ( 0.4369039 0.3982111 0.1260604), wk = 0.0028011 k( 192) = ( 0.4305943 0.4091245 0.1386664), wk = 0.0028011 k( 193) = ( 0.4242847 0.4200378 0.1512724), wk = 0.0028011 k( 194) = ( 0.4179751 0.4309511 0.1638785), wk = 0.0028011 k( 195) = ( 0.4116655 0.4418645 0.1764845), wk = 0.0028011 k( 196) = ( 0.4053559 0.4527778 0.1890905), wk = 0.0028011 k( 197) = ( 0.3990463 0.4636912 0.2016966), wk = 0.0028011 k( 198) = ( 0.3927367 0.4746045 0.2143026), wk = 0.0028011 k( 199) = ( 0.3864271 0.4855179 0.2269086), wk = 0.0028011 k( 200) = ( 0.3801175 0.4964312 0.2395147), wk = 0.0028011 k( 201) = ( 0.3738079 0.5073445 0.2521207), wk = 0.0028011 k( 202) = ( 0.3674983 0.5182579 0.2647268), wk = 0.0028011 k( 203) = ( 0.3611886 0.5291712 0.2773328), wk = 0.0028011 k( 204) = ( 0.3548790 0.5400845 0.2899388), wk = 0.0028011 k( 205) = ( 0.3485694 0.5509979 0.3025449), wk = 0.0028011 k( 206) = ( 0.3422598 0.5619112 0.3151509), wk = 0.0028011 k( 207) = ( 0.3359502 0.5728246 0.3277569), wk = 0.0028011 k( 208) = ( 0.3296406 0.5837379 0.3403630), wk = 0.0028011 k( 209) = ( 0.3233310 0.5946513 0.3529690), wk = 0.0028011 k( 210) = ( 0.3170214 0.6055646 0.3655750), wk = 0.0028011 k( 211) = ( 0.3107118 0.6164779 0.3781811), wk = 0.0028011 k( 212) = ( 0.3044022 0.6273913 0.3907871), wk = 0.0028011 k( 213) = ( 0.2980926 0.6383046 0.4033932), wk = 0.0028011 k( 214) = ( 0.2917830 0.6492180 0.4159992), wk = 0.0028011 k( 215) = ( 0.2917830 0.6492180 0.4159992), wk = 0.0028011 k( 216) = ( 0.2755728 0.6452030 0.4206369), wk = 0.0028011 k( 217) = ( 0.2593626 0.6411880 0.4252746), wk = 0.0028011 k( 218) = ( 0.2431525 0.6371731 0.4299123), wk = 0.0028011 k( 219) = ( 0.2269423 0.6331581 0.4345500), wk = 0.0028011 k( 220) = ( 0.2107321 0.6291431 0.4391877), wk = 0.0028011 k( 221) = ( 0.1945220 0.6251281 0.4438254), wk = 0.0028011 k( 222) = ( 0.1783118 0.6211132 0.4484631), wk = 0.0028011 k( 223) = ( 0.1621017 0.6170982 0.4531008), wk = 0.0028011 k( 224) = ( 0.1458915 0.6130832 0.4577385), wk = 0.0028011 k( 225) = ( 0.1296813 0.6090683 0.4623762), wk = 0.0028011 k( 226) = ( 0.1134712 0.6050533 0.4670139), wk = 0.0028011 k( 227) = ( 0.0972610 0.6010383 0.4716516), wk = 0.0028011 k( 228) = ( 0.0810508 0.5970234 0.4762893), wk = 0.0028011 k( 229) = ( 0.0648407 0.5930084 0.4809270), wk = 0.0028011 k( 230) = ( 0.0486305 0.5889934 0.4855647), wk = 0.0028011 k( 231) = ( 0.0324203 0.5849785 0.4902024), wk = 0.0028011 k( 232) = ( 0.0162102 0.5809635 0.4948401), wk = 0.0028011 k( 233) = ( 0.0000000 0.5769485 0.4994778), wk = 0.0028011 k( 234) = ( 0.0000000 0.5769485 0.4994778), wk = 0.0028011 k( 235) = ( 0.0064103 0.5658611 0.5122850), wk = 0.0028011 k( 236) = ( 0.0128205 0.5547737 0.5250921), wk = 0.0028011 k( 237) = ( 0.0192308 0.5436862 0.5378992), wk = 0.0028011 k( 238) = ( 0.0256410 0.5325988 0.5507063), wk = 0.0028011 k( 239) = ( 0.0320513 0.5215114 0.5635135), wk = 0.0028011 k( 240) = ( 0.0384615 0.5104240 0.5763206), wk = 0.0028011 k( 241) = ( 0.0448718 0.4993365 0.5891277), wk = 0.0028011 k( 242) = ( 0.0512821 0.4882491 0.6019348), wk = 0.0028011 k( 243) = ( 0.0576923 0.4771617 0.6147420), wk = 0.0028011 k( 244) = ( 0.0641026 0.4660743 0.6275491), wk = 0.0028011 k( 245) = ( 0.0705128 0.4549868 0.6403562), wk = 0.0028011 k( 246) = ( 0.0769231 0.4438994 0.6531633), wk = 0.0028011 k( 247) = ( 0.0833333 0.4328120 0.6659705), wk = 0.0028011 k( 248) = ( 0.0897436 0.4217245 0.6787776), wk = 0.0028011 k( 249) = ( 0.0961538 0.4106371 0.6915847), wk = 0.0028011 k( 250) = ( 0.1025641 0.3995497 0.7043918), wk = 0.0028011 k( 251) = ( 0.1089744 0.3884623 0.7171990), wk = 0.0028011 k( 252) = ( 0.1153846 0.3773748 0.7300061), wk = 0.0028011 k( 253) = ( 0.1217949 0.3662874 0.7428132), wk = 0.0028011 k( 254) = ( 0.1282051 0.3552000 0.7556203), wk = 0.0028011 k( 255) = ( 0.1346154 0.3441126 0.7684274), wk = 0.0028011 k( 256) = ( 0.1410256 0.3330251 0.7812346), wk = 0.0028011 k( 257) = ( 0.1474359 0.3219377 0.7940417), wk = 0.0028011 k( 258) = ( 0.1538461 0.3108503 0.8068488), wk = 0.0028011 k( 259) = ( 0.1602564 0.2997628 0.8196559), wk = 0.0028011 k( 260) = ( 0.1666667 0.2886754 0.8324631), wk = 0.0028011 k( 261) = ( 0.1730769 0.2775880 0.8452702), wk = 0.0028011 k( 262) = ( 0.1794872 0.2665006 0.8580773), wk = 0.0028011 k( 263) = ( 0.1858974 0.2554131 0.8708845), wk = 0.0028011 k( 264) = ( 0.1923077 0.2443257 0.8836916), wk = 0.0028011 k( 265) = ( 0.1987180 0.2332383 0.8964987), wk = 0.0028011 k( 266) = ( 0.2051282 0.2221508 0.9093058), wk = 0.0028011 k( 267) = ( 0.2115385 0.2110634 0.9221129), wk = 0.0028011 k( 268) = ( 0.2179487 0.1999760 0.9349201), wk = 0.0028011 k( 269) = ( 0.2243590 0.1888886 0.9477272), wk = 0.0028011 k( 270) = ( 0.2307692 0.1778011 0.9605343), wk = 0.0028011 k( 271) = ( 0.2371795 0.1667137 0.9733414), wk = 0.0028011 k( 272) = ( 0.2435897 0.1556263 0.9861486), wk = 0.0028011 k( 273) = ( 0.2500000 0.1445389 0.9989557), wk = 0.0028011 k( 274) = ( 0.2500000 0.1445389 0.9989557), wk = 0.0028011 k( 275) = ( 0.2631579 0.1521462 0.9901685), wk = 0.0028011 k( 276) = ( 0.2763158 0.1597535 0.9813812), wk = 0.0028011 k( 277) = ( 0.2894737 0.1673608 0.9725940), wk = 0.0028011 k( 278) = ( 0.3026316 0.1749681 0.9638068), wk = 0.0028011 k( 279) = ( 0.3157895 0.1825754 0.9550195), wk = 0.0028011 k( 280) = ( 0.3289474 0.1901827 0.9462323), wk = 0.0028011 k( 281) = ( 0.3421053 0.1977900 0.9374451), wk = 0.0028011 k( 282) = ( 0.3552632 0.2053973 0.9286579), wk = 0.0028011 k( 283) = ( 0.3684211 0.2130046 0.9198706), wk = 0.0028011 k( 284) = ( 0.3815789 0.2206119 0.9110834), wk = 0.0028011 k( 285) = ( 0.3947368 0.2282193 0.9022962), wk = 0.0028011 k( 286) = ( 0.4078947 0.2358266 0.8935090), wk = 0.0028011 k( 287) = ( 0.4210526 0.2434339 0.8847217), wk = 0.0028011 k( 288) = ( 0.4342105 0.2510412 0.8759345), wk = 0.0028011 k( 289) = ( 0.4473684 0.2586485 0.8671473), wk = 0.0028011 k( 290) = ( 0.4605263 0.2662558 0.8583601), wk = 0.0028011 k( 291) = ( 0.4736842 0.2738631 0.8495728), wk = 0.0028011 k( 292) = ( 0.4868421 0.2814704 0.8407856), wk = 0.0028011 k( 293) = ( 0.5000000 0.2890777 0.8319984), wk = 0.0028011 k( 294) = ( 0.5000000 0.2890777 0.8319984), wk = 0.0028011 k( 295) = ( 0.5000000 0.2890777 0.8139115), wk = 0.0028011 k( 296) = ( 0.5000000 0.2890777 0.7958245), wk = 0.0028011 k( 297) = ( 0.5000000 0.2890777 0.7777376), wk = 0.0028011 k( 298) = ( 0.5000000 0.2890777 0.7596507), wk = 0.0028011 k( 299) = ( 0.5000000 0.2890777 0.7415638), wk = 0.0028011 k( 300) = ( 0.5000000 0.2890777 0.7234768), wk = 0.0028011 k( 301) = ( 0.5000000 0.2890777 0.7053899), wk = 0.0028011 k( 302) = ( 0.5000000 0.2890777 0.6873030), wk = 0.0028011 k( 303) = ( 0.5000000 0.2890777 0.6692161), wk = 0.0028011 k( 304) = ( 0.5000000 0.2890777 0.6511291), wk = 0.0028011 k( 305) = ( 0.5000000 0.2890777 0.6330422), wk = 0.0028011 k( 306) = ( 0.5000000 0.2890777 0.6149553), wk = 0.0028011 k( 307) = ( 0.5000000 0.2890777 0.5968684), wk = 0.0028011 k( 308) = ( 0.5000000 0.2890777 0.5787815), wk = 0.0028011 k( 309) = ( 0.5000000 0.2890777 0.5606945), wk = 0.0028011 k( 310) = ( 0.5000000 0.2890777 0.5426076), wk = 0.0028011 k( 311) = ( 0.5000000 0.2890777 0.5245207), wk = 0.0028011 k( 312) = ( 0.5000000 0.2890777 0.5064338), wk = 0.0028011 k( 313) = ( 0.5000000 0.2890777 0.4883469), wk = 0.0028011 k( 314) = ( 0.5000000 0.2890777 0.4702599), wk = 0.0028011 k( 315) = ( 0.5000000 0.2890777 0.4521730), wk = 0.0028011 k( 316) = ( 0.5000000 0.2890777 0.4340861), wk = 0.0028011 k( 317) = ( 0.5000000 0.2890777 0.4159992), wk = 0.0028011 k( 318) = ( 0.5000000 0.2890777 0.3979123), wk = 0.0028011 k( 319) = ( 0.5000000 0.2890777 0.3798253), wk = 0.0028011 k( 320) = ( 0.5000000 0.2890777 0.3617384), wk = 0.0028011 k( 321) = ( 0.5000000 0.2890777 0.3436515), wk = 0.0028011 k( 322) = ( 0.5000000 0.2890777 0.3255646), wk = 0.0028011 k( 323) = ( 0.5000000 0.2890777 0.3074777), wk = 0.0028011 k( 324) = ( 0.5000000 0.2890777 0.2893907), wk = 0.0028011 k( 325) = ( 0.5000000 0.2890777 0.2713038), wk = 0.0028011 k( 326) = ( 0.5000000 0.2890777 0.2532169), wk = 0.0028011 k( 327) = ( 0.5000000 0.2890777 0.2351300), wk = 0.0028011 k( 328) = ( 0.5000000 0.2890777 0.2170430), wk = 0.0028011 k( 329) = ( 0.5000000 0.2890777 0.1989561), wk = 0.0028011 k( 330) = ( 0.5000000 0.2890777 0.1808692), wk = 0.0028011 k( 331) = ( 0.5000000 0.2890777 0.1627823), wk = 0.0028011 k( 332) = ( 0.5000000 0.2890777 0.1446954), wk = 0.0028011 k( 333) = ( 0.5000000 0.2890777 0.1266084), wk = 0.0028011 k( 334) = ( 0.5000000 0.2890777 0.1085215), wk = 0.0028011 k( 335) = ( 0.5000000 0.2890777 0.0904346), wk = 0.0028011 k( 336) = ( 0.5000000 0.2890777 0.0723477), wk = 0.0028011 k( 337) = ( 0.5000000 0.2890777 0.0542608), wk = 0.0028011 k( 338) = ( 0.5000000 0.2890777 0.0361738), wk = 0.0028011 k( 339) = ( 0.5000000 0.2890777 0.0180869), wk = 0.0028011 k( 340) = ( 0.5000000 0.2890777 0.0000000), wk = 0.0028011 k( 341) = ( 0.0000000 0.0000000 0.9989557), wk = 0.0028011 k( 342) = ( 0.0156250 0.0090337 0.9989557), wk = 0.0028011 k( 343) = ( 0.0312500 0.0180674 0.9989557), wk = 0.0028011 k( 344) = ( 0.0468750 0.0271010 0.9989557), wk = 0.0028011 k( 345) = ( 0.0625000 0.0361347 0.9989557), wk = 0.0028011 k( 346) = ( 0.0781250 0.0451684 0.9989557), wk = 0.0028011 k( 347) = ( 0.0937500 0.0542021 0.9989557), wk = 0.0028011 k( 348) = ( 0.1093750 0.0632358 0.9989557), wk = 0.0028011 k( 349) = ( 0.1250000 0.0722694 0.9989557), wk = 0.0028011 k( 350) = ( 0.1406250 0.0813031 0.9989557), wk = 0.0028011 k( 351) = ( 0.1562500 0.0903368 0.9989557), wk = 0.0028011 k( 352) = ( 0.1718750 0.0993705 0.9989557), wk = 0.0028011 k( 353) = ( 0.1875000 0.1084041 0.9989557), wk = 0.0028011 k( 354) = ( 0.2031250 0.1174378 0.9989557), wk = 0.0028011 k( 355) = ( 0.2187500 0.1264715 0.9989557), wk = 0.0028011 k( 356) = ( 0.2343750 0.1355052 0.9989557), wk = 0.0028011 k( 357) = ( 0.2500000 0.1445389 0.9989557), wk = 0.0028011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0028011 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0028011 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0028011 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0028011 k( 6) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0028011 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0028011 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0028011 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0028011 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0028011 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0028011 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028011 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0028011 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0028011 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0028011 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0028011 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0028011 k( 18) = ( 0.0000000 0.0000000 0.1545454), wk = 0.0028011 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0028011 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0028011 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0028011 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0028011 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028011 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0028011 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0028011 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0028011 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0028011 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0028011 k( 29) = ( 0.0000000 0.0000000 0.2545454), wk = 0.0028011 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0028011 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0028011 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0028011 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0028011 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028011 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0028011 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0028011 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0028011 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0028011 k( 39) = ( 0.0000000 0.0000000 0.3454545), wk = 0.0028011 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0028011 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0028011 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0028011 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0028011 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0028011 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028011 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0028011 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0028011 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0028011 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0028011 k( 50) = ( 0.0000000 0.0000000 0.4454545), wk = 0.0028011 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0028011 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0028011 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0028011 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0028011 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0028011 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 58) = ( -0.0083566 0.0083566 0.5000000), wk = 0.0028011 k( 59) = ( -0.0167132 0.0167132 0.5000000), wk = 0.0028011 k( 60) = ( -0.0250698 0.0250698 0.5000000), wk = 0.0028011 k( 61) = ( -0.0334264 0.0334264 0.5000000), wk = 0.0028011 k( 62) = ( -0.0417830 0.0417830 0.5000000), wk = 0.0028011 k( 63) = ( -0.0501396 0.0501396 0.5000000), wk = 0.0028011 k( 64) = ( -0.0584961 0.0584961 0.5000000), wk = 0.0028011 k( 65) = ( -0.0668527 0.0668527 0.5000000), wk = 0.0028011 k( 66) = ( -0.0752093 0.0752093 0.5000000), wk = 0.0028011 k( 67) = ( -0.0835659 0.0835659 0.5000000), wk = 0.0028011 k( 68) = ( -0.0835659 0.0835659 0.5000000), wk = 0.0028011 k( 69) = ( -0.0898755 0.0898755 0.4936904), wk = 0.0028011 k( 70) = ( -0.0961851 0.0961851 0.4873808), wk = 0.0028011 k( 71) = ( -0.1024947 0.1024947 0.4810712), wk = 0.0028011 k( 72) = ( -0.1088044 0.1088044 0.4747616), wk = 0.0028011 k( 73) = ( -0.1151140 0.1151140 0.4684520), wk = 0.0028011 k( 74) = ( -0.1214236 0.1214236 0.4621424), wk = 0.0028011 k( 75) = ( -0.1277332 0.1277332 0.4558327), wk = 0.0028011 k( 76) = ( -0.1340428 0.1340428 0.4495231), wk = 0.0028011 k( 77) = ( -0.1403524 0.1403524 0.4432135), wk = 0.0028011 k( 78) = ( -0.1466620 0.1466620 0.4369039), wk = 0.0028011 k( 79) = ( -0.1529716 0.1529716 0.4305943), wk = 0.0028011 k( 80) = ( -0.1592812 0.1592812 0.4242847), wk = 0.0028011 k( 81) = ( -0.1655908 0.1655908 0.4179751), wk = 0.0028011 k( 82) = ( -0.1719004 0.1719004 0.4116655), wk = 0.0028011 k( 83) = ( -0.1782100 0.1782100 0.4053559), wk = 0.0028011 k( 84) = ( -0.1845196 0.1845196 0.3990463), wk = 0.0028011 k( 85) = ( -0.1908293 0.1908292 0.3927367), wk = 0.0028011 k( 86) = ( -0.1971389 0.1971389 0.3864271), wk = 0.0028011 k( 87) = ( -0.2034485 0.2034485 0.3801175), wk = 0.0028011 k( 88) = ( -0.2097581 0.2097581 0.3738079), wk = 0.0028011 k( 89) = ( -0.2160677 0.2160677 0.3674983), wk = 0.0028011 k( 90) = ( -0.2223773 0.2223773 0.3611886), wk = 0.0028011 k( 91) = ( -0.2286869 0.2286869 0.3548790), wk = 0.0028011 k( 92) = ( -0.2349965 0.2349965 0.3485694), wk = 0.0028011 k( 93) = ( -0.2413061 0.2413061 0.3422598), wk = 0.0028011 k( 94) = ( -0.2476157 0.2476157 0.3359502), wk = 0.0028011 k( 95) = ( -0.2539253 0.2539253 0.3296406), wk = 0.0028011 k( 96) = ( -0.2602349 0.2602349 0.3233310), wk = 0.0028011 k( 97) = ( -0.2665445 0.2665445 0.3170214), wk = 0.0028011 k( 98) = ( -0.2728541 0.2728541 0.3107118), wk = 0.0028011 k( 99) = ( -0.2791637 0.2791638 0.3044022), wk = 0.0028011 k( 100) = ( -0.2854734 0.2854734 0.2980926), wk = 0.0028011 k( 101) = ( -0.2917830 0.2917830 0.2917830), wk = 0.0028011 k( 102) = ( -0.2917830 0.2917830 0.2917830), wk = 0.0028011 k( 103) = ( -0.2852989 0.2852989 0.2852989), wk = 0.0028011 k( 104) = ( -0.2788148 0.2788148 0.2788148), wk = 0.0028011 k( 105) = ( -0.2723308 0.2723308 0.2723308), wk = 0.0028011 k( 106) = ( -0.2658467 0.2658467 0.2658467), wk = 0.0028011 k( 107) = ( -0.2593626 0.2593626 0.2593626), wk = 0.0028011 k( 108) = ( -0.2528786 0.2528786 0.2528786), wk = 0.0028011 k( 109) = ( -0.2463945 0.2463945 0.2463945), wk = 0.0028011 k( 110) = ( -0.2399104 0.2399104 0.2399104), wk = 0.0028011 k( 111) = ( -0.2334264 0.2334264 0.2334264), wk = 0.0028011 k( 112) = ( -0.2269423 0.2269423 0.2269423), wk = 0.0028011 k( 113) = ( -0.2204582 0.2204582 0.2204582), wk = 0.0028011 k( 114) = ( -0.2139742 0.2139742 0.2139742), wk = 0.0028011 k( 115) = ( -0.2074901 0.2074901 0.2074901), wk = 0.0028011 k( 116) = ( -0.2010060 0.2010060 0.2010060), wk = 0.0028011 k( 117) = ( -0.1945220 0.1945220 0.1945220), wk = 0.0028011 k( 118) = ( -0.1880379 0.1880379 0.1880379), wk = 0.0028011 k( 119) = ( -0.1815538 0.1815538 0.1815538), wk = 0.0028011 k( 120) = ( -0.1750698 0.1750698 0.1750698), wk = 0.0028011 k( 121) = ( -0.1685857 0.1685857 0.1685857), wk = 0.0028011 k( 122) = ( -0.1621017 0.1621016 0.1621017), wk = 0.0028011 k( 123) = ( -0.1556176 0.1556176 0.1556176), wk = 0.0028011 k( 124) = ( -0.1491335 0.1491335 0.1491335), wk = 0.0028011 k( 125) = ( -0.1426495 0.1426494 0.1426495), wk = 0.0028011 k( 126) = ( -0.1361654 0.1361654 0.1361654), wk = 0.0028011 k( 127) = ( -0.1296813 0.1296813 0.1296813), wk = 0.0028011 k( 128) = ( -0.1231972 0.1231972 0.1231972), wk = 0.0028011 k( 129) = ( -0.1167132 0.1167132 0.1167132), wk = 0.0028011 k( 130) = ( -0.1102291 0.1102291 0.1102291), wk = 0.0028011 k( 131) = ( -0.1037451 0.1037451 0.1037450), wk = 0.0028011 k( 132) = ( -0.0972610 0.0972610 0.0972610), wk = 0.0028011 k( 133) = ( -0.0907769 0.0907769 0.0907769), wk = 0.0028011 k( 134) = ( -0.0842929 0.0842929 0.0842929), wk = 0.0028011 k( 135) = ( -0.0778088 0.0778088 0.0778088), wk = 0.0028011 k( 136) = ( -0.0713247 0.0713247 0.0713247), wk = 0.0028011 k( 137) = ( -0.0648407 0.0648407 0.0648407), wk = 0.0028011 k( 138) = ( -0.0583566 0.0583566 0.0583566), wk = 0.0028011 k( 139) = ( -0.0518725 0.0518725 0.0518725), wk = 0.0028011 k( 140) = ( -0.0453885 0.0453885 0.0453885), wk = 0.0028011 k( 141) = ( -0.0389044 0.0389044 0.0389044), wk = 0.0028011 k( 142) = ( -0.0324203 0.0324203 0.0324203), wk = 0.0028011 k( 143) = ( -0.0259363 0.0259363 0.0259363), wk = 0.0028011 k( 144) = ( -0.0194522 0.0194522 0.0194522), wk = 0.0028011 k( 145) = ( -0.0129681 0.0129681 0.0129681), wk = 0.0028011 k( 146) = ( -0.0064841 0.0064841 0.0064841), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 149) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0028011 k( 150) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0028011 k( 151) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0028011 k( 152) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0028011 k( 153) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0028011 k( 154) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0028011 k( 155) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0028011 k( 156) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0028011 k( 157) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0028011 k( 158) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0028011 k( 159) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0028011 k( 160) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0028011 k( 161) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0028011 k( 162) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0028011 k( 163) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0028011 k( 164) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028011 k( 165) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0028011 k( 166) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0028011 k( 167) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0028011 k( 168) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0028011 k( 169) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0028011 k( 170) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0028011 k( 171) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0028011 k( 172) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0028011 k( 173) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0028011 k( 174) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0028011 k( 175) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0028011 k( 176) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0028011 k( 177) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0028011 k( 178) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0028011 k( 179) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0028011 k( 180) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 182) = ( 0.4936904 0.5063096 -0.4936904), wk = 0.0028011 k( 183) = ( 0.4873808 0.5126192 -0.4873808), wk = 0.0028011 k( 184) = ( 0.4810712 0.5189288 -0.4810712), wk = 0.0028011 k( 185) = ( 0.4747616 0.5252384 -0.4747616), wk = 0.0028011 k( 186) = ( 0.4684520 0.5315480 -0.4684520), wk = 0.0028011 k( 187) = ( 0.4621424 0.5378576 -0.4621424), wk = 0.0028011 k( 188) = ( 0.4558328 0.5441672 -0.4558327), wk = 0.0028011 k( 189) = ( 0.4495231 0.5504769 -0.4495231), wk = 0.0028011 k( 190) = ( 0.4432135 0.5567865 -0.4432135), wk = 0.0028011 k( 191) = ( 0.4369039 0.5630961 -0.4369039), wk = 0.0028011 k( 192) = ( 0.4305943 0.5694057 -0.4305943), wk = 0.0028011 k( 193) = ( 0.4242847 0.5757153 -0.4242847), wk = 0.0028011 k( 194) = ( 0.4179751 0.5820249 -0.4179751), wk = 0.0028011 k( 195) = ( 0.4116655 0.5883345 -0.4116655), wk = 0.0028011 k( 196) = ( 0.4053559 0.5946441 -0.4053559), wk = 0.0028011 k( 197) = ( 0.3990463 0.6009537 -0.3990463), wk = 0.0028011 k( 198) = ( 0.3927367 0.6072633 -0.3927367), wk = 0.0028011 k( 199) = ( 0.3864271 0.6135729 -0.3864271), wk = 0.0028011 k( 200) = ( 0.3801175 0.6198825 -0.3801175), wk = 0.0028011 k( 201) = ( 0.3738079 0.6261921 -0.3738079), wk = 0.0028011 k( 202) = ( 0.3674983 0.6325017 -0.3674982), wk = 0.0028011 k( 203) = ( 0.3611886 0.6388114 -0.3611886), wk = 0.0028011 k( 204) = ( 0.3548790 0.6451210 -0.3548790), wk = 0.0028011 k( 205) = ( 0.3485694 0.6514306 -0.3485694), wk = 0.0028011 k( 206) = ( 0.3422598 0.6577402 -0.3422598), wk = 0.0028011 k( 207) = ( 0.3359502 0.6640498 -0.3359502), wk = 0.0028011 k( 208) = ( 0.3296406 0.6703594 -0.3296406), wk = 0.0028011 k( 209) = ( 0.3233310 0.6766690 -0.3233310), wk = 0.0028011 k( 210) = ( 0.3170214 0.6829786 -0.3170214), wk = 0.0028011 k( 211) = ( 0.3107118 0.6892882 -0.3107118), wk = 0.0028011 k( 212) = ( 0.3044022 0.6955978 -0.3044022), wk = 0.0028011 k( 213) = ( 0.2980926 0.7019074 -0.2980926), wk = 0.0028011 k( 214) = ( 0.2917830 0.7082170 -0.2917830), wk = 0.0028011 k( 215) = ( 0.2917830 0.7082170 -0.2917830), wk = 0.0028011 k( 216) = ( 0.2755728 0.6966494 -0.2755728), wk = 0.0028011 k( 217) = ( 0.2593626 0.6850818 -0.2593626), wk = 0.0028011 k( 218) = ( 0.2431525 0.6735142 -0.2431525), wk = 0.0028011 k( 219) = ( 0.2269423 0.6619466 -0.2269423), wk = 0.0028011 k( 220) = ( 0.2107321 0.6503790 -0.2107321), wk = 0.0028011 k( 221) = ( 0.1945220 0.6388114 -0.1945220), wk = 0.0028011 k( 222) = ( 0.1783118 0.6272437 -0.1783118), wk = 0.0028011 k( 223) = ( 0.1621017 0.6156761 -0.1621016), wk = 0.0028011 k( 224) = ( 0.1458915 0.6041085 -0.1458915), wk = 0.0028011 k( 225) = ( 0.1296813 0.5925409 -0.1296813), wk = 0.0028011 k( 226) = ( 0.1134712 0.5809733 -0.1134711), wk = 0.0028011 k( 227) = ( 0.0972610 0.5694057 -0.0972610), wk = 0.0028011 k( 228) = ( 0.0810508 0.5578381 -0.0810508), wk = 0.0028011 k( 229) = ( 0.0648407 0.5462704 -0.0648407), wk = 0.0028011 k( 230) = ( 0.0486305 0.5347028 -0.0486305), wk = 0.0028011 k( 231) = ( 0.0324203 0.5231352 -0.0324203), wk = 0.0028011 k( 232) = ( 0.0162102 0.5115676 -0.0162102), wk = 0.0028011 k( 233) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028011 k( 234) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028011 k( 235) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0028011 k( 236) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0028011 k( 237) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0028011 k( 238) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0028011 k( 239) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0028011 k( 240) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0028011 k( 241) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0028011 k( 242) = ( 0.0512821 0.4487179 0.0512821), wk = 0.0028011 k( 243) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0028011 k( 244) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0028011 k( 245) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0028011 k( 246) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0028011 k( 247) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0028011 k( 248) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0028011 k( 249) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0028011 k( 250) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0028011 k( 251) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0028011 k( 252) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0028011 k( 253) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0028011 k( 254) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0028011 k( 255) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0028011 k( 256) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0028011 k( 257) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0028011 k( 258) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0028011 k( 259) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0028011 k( 260) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0028011 k( 261) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0028011 k( 262) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0028011 k( 263) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0028011 k( 264) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0028011 k( 265) = ( 0.1987180 0.3012820 0.1987180), wk = 0.0028011 k( 266) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0028011 k( 267) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0028011 k( 268) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0028011 k( 269) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0028011 k( 270) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0028011 k( 271) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0028011 k( 272) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0028011 k( 273) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 k( 275) = ( 0.2631579 0.2631579 0.2324439), wk = 0.0028011 k( 276) = ( 0.2763158 0.2763158 0.2148878), wk = 0.0028011 k( 277) = ( 0.2894737 0.2894737 0.1973317), wk = 0.0028011 k( 278) = ( 0.3026316 0.3026316 0.1797756), wk = 0.0028011 k( 279) = ( 0.3157895 0.3157895 0.1622195), wk = 0.0028011 k( 280) = ( 0.3289474 0.3289474 0.1446634), wk = 0.0028011 k( 281) = ( 0.3421053 0.3421053 0.1271073), wk = 0.0028011 k( 282) = ( 0.3552632 0.3552632 0.1095512), wk = 0.0028011 k( 283) = ( 0.3684211 0.3684211 0.0919951), wk = 0.0028011 k( 284) = ( 0.3815789 0.3815789 0.0744390), wk = 0.0028011 k( 285) = ( 0.3947368 0.3947368 0.0568829), wk = 0.0028011 k( 286) = ( 0.4078947 0.4078947 0.0393268), wk = 0.0028011 k( 287) = ( 0.4210526 0.4210526 0.0217707), wk = 0.0028011 k( 288) = ( 0.4342105 0.4342105 0.0042146), wk = 0.0028011 k( 289) = ( 0.4473684 0.4473684 -0.0133415), wk = 0.0028011 k( 290) = ( 0.4605263 0.4605263 -0.0308976), wk = 0.0028011 k( 291) = ( 0.4736842 0.4736842 -0.0484537), wk = 0.0028011 k( 292) = ( 0.4868421 0.4868421 -0.0660098), wk = 0.0028011 k( 293) = ( 0.5000000 0.5000000 -0.0835659), wk = 0.0028011 k( 294) = ( 0.5000000 0.5000000 -0.0835659), wk = 0.0028011 k( 295) = ( 0.5000000 0.5000000 -0.0926188), wk = 0.0028011 k( 296) = ( 0.5000000 0.5000000 -0.1016718), wk = 0.0028011 k( 297) = ( 0.5000000 0.5000000 -0.1107247), wk = 0.0028011 k( 298) = ( 0.5000000 0.5000000 -0.1197776), wk = 0.0028011 k( 299) = ( 0.5000000 0.5000000 -0.1288305), wk = 0.0028011 k( 300) = ( 0.5000000 0.5000000 -0.1378834), wk = 0.0028011 k( 301) = ( 0.5000000 0.5000000 -0.1469363), wk = 0.0028011 k( 302) = ( 0.5000000 0.5000000 -0.1559893), wk = 0.0028011 k( 303) = ( 0.5000000 0.5000000 -0.1650422), wk = 0.0028011 k( 304) = ( 0.5000000 0.5000000 -0.1740951), wk = 0.0028011 k( 305) = ( 0.5000000 0.5000000 -0.1831480), wk = 0.0028011 k( 306) = ( 0.5000000 0.5000000 -0.1922009), wk = 0.0028011 k( 307) = ( 0.5000000 0.5000000 -0.2012538), wk = 0.0028011 k( 308) = ( 0.5000000 0.5000000 -0.2103067), wk = 0.0028011 k( 309) = ( 0.5000000 0.5000000 -0.2193597), wk = 0.0028011 k( 310) = ( 0.5000000 0.5000000 -0.2284126), wk = 0.0028011 k( 311) = ( 0.5000000 0.5000000 -0.2374655), wk = 0.0028011 k( 312) = ( 0.5000000 0.5000000 -0.2465184), wk = 0.0028011 k( 313) = ( 0.5000000 0.5000000 -0.2555713), wk = 0.0028011 k( 314) = ( 0.5000000 0.5000000 -0.2646242), wk = 0.0028011 k( 315) = ( 0.5000000 0.5000000 -0.2736771), wk = 0.0028011 k( 316) = ( 0.5000000 0.5000000 -0.2827301), wk = 0.0028011 k( 317) = ( 0.5000000 0.5000000 -0.2917830), wk = 0.0028011 k( 318) = ( 0.5000000 0.5000000 -0.3008359), wk = 0.0028011 k( 319) = ( 0.5000000 0.5000000 -0.3098888), wk = 0.0028011 k( 320) = ( 0.5000000 0.5000000 -0.3189417), wk = 0.0028011 k( 321) = ( 0.5000000 0.5000000 -0.3279946), wk = 0.0028011 k( 322) = ( 0.5000000 0.5000000 -0.3370475), wk = 0.0028011 k( 323) = ( 0.5000000 0.5000000 -0.3461005), wk = 0.0028011 k( 324) = ( 0.5000000 0.5000000 -0.3551534), wk = 0.0028011 k( 325) = ( 0.5000000 0.5000000 -0.3642063), wk = 0.0028011 k( 326) = ( 0.5000000 0.5000000 -0.3732592), wk = 0.0028011 k( 327) = ( 0.5000000 0.5000000 -0.3823121), wk = 0.0028011 k( 328) = ( 0.5000000 0.5000000 -0.3913650), wk = 0.0028011 k( 329) = ( 0.5000000 0.5000000 -0.4004179), wk = 0.0028011 k( 330) = ( 0.5000000 0.5000000 -0.4094708), wk = 0.0028011 k( 331) = ( 0.5000000 0.5000000 -0.4185238), wk = 0.0028011 k( 332) = ( 0.5000000 0.5000000 -0.4275767), wk = 0.0028011 k( 333) = ( 0.5000000 0.5000000 -0.4366296), wk = 0.0028011 k( 334) = ( 0.5000000 0.5000000 -0.4456825), wk = 0.0028011 k( 335) = ( 0.5000000 0.5000000 -0.4547354), wk = 0.0028011 k( 336) = ( 0.5000000 0.5000000 -0.4637883), wk = 0.0028011 k( 337) = ( 0.5000000 0.5000000 -0.4728413), wk = 0.0028011 k( 338) = ( 0.5000000 0.5000000 -0.4818942), wk = 0.0028011 k( 339) = ( 0.5000000 0.5000000 -0.4909471), wk = 0.0028011 k( 340) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 341) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 342) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0028011 k( 343) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0028011 k( 344) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0028011 k( 345) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0028011 k( 346) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0028011 k( 347) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0028011 k( 348) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0028011 k( 349) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028011 k( 350) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0028011 k( 351) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0028011 k( 352) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0028011 k( 353) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0028011 k( 354) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0028011 k( 355) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0028011 k( 356) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0028011 k( 357) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 Dense grid: 42977 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23645 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 182, 46) NL pseudopotentials 0.18 Mb ( 91, 130) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1194) G-vector shells 0.00 Mb ( 540) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 182, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.18 Mb ( 130, 2, 46) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaxNiGex2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.0 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 12.7 secs Computing kpt #: 15 total cpu time spent up to now is 13.2 secs Computing kpt #: 16 total cpu time spent up to now is 13.8 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.0 secs Computing kpt #: 19 total cpu time spent up to now is 15.6 secs Computing kpt #: 20 total cpu time spent up to now is 16.2 secs Computing kpt #: 21 total cpu time spent up to now is 16.8 secs Computing kpt #: 22 total cpu time spent up to now is 17.5 secs Computing kpt #: 23 total cpu time spent up to now is 18.1 secs Computing kpt #: 24 total cpu time spent up to now is 18.8 secs Computing kpt #: 25 total cpu time spent up to now is 19.5 secs Computing kpt #: 26 total cpu time spent up to now is 20.2 secs Computing kpt #: 27 total cpu time spent up to now is 21.0 secs Computing kpt #: 28 total cpu time spent up to now is 21.7 secs Computing kpt #: 29 total cpu time spent up to now is 22.3 secs Computing kpt #: 30 total cpu time spent up to now is 23.4 secs Computing kpt #: 31 total cpu time spent up to now is 24.0 secs Computing kpt #: 32 total cpu time spent up to now is 24.8 secs Computing kpt #: 33 total cpu time spent up to now is 25.4 secs Computing kpt #: 34 total cpu time spent up to now is 26.1 secs Computing kpt #: 35 total cpu time spent up to now is 26.7 secs Computing kpt #: 36 total cpu time spent up to now is 27.3 secs Computing kpt #: 37 total cpu time spent up to now is 28.0 secs Computing kpt #: 38 total cpu time spent up to now is 28.5 secs Computing kpt #: 39 total cpu time spent up to now is 29.2 secs Computing kpt #: 40 total cpu time spent up to now is 29.7 secs Computing kpt #: 41 total cpu time spent up to now is 30.3 secs Computing kpt #: 42 total cpu time spent up to now is 30.9 secs Computing kpt #: 43 total cpu time spent up to now is 31.5 secs Computing kpt #: 44 total cpu time spent up to now is 32.2 secs Computing kpt #: 45 total cpu time spent up to now is 32.8 secs Computing kpt #: 46 total cpu time spent up to now is 33.4 secs Computing kpt #: 47 total cpu time spent up to now is 34.0 secs Computing kpt #: 48 total cpu time spent up to now is 34.6 secs Computing kpt #: 49 total cpu time spent up to now is 35.2 secs Computing kpt #: 50 total cpu time spent up to now is 35.8 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 37.0 secs Computing kpt #: 53 total cpu time spent up to now is 37.6 secs Computing kpt #: 54 total cpu time spent up to now is 38.3 secs Computing kpt #: 55 total cpu time spent up to now is 39.0 secs Computing kpt #: 56 total cpu time spent up to now is 39.7 secs Computing kpt #: 57 total cpu time spent up to now is 40.3 secs Computing kpt #: 58 total cpu time spent up to now is 41.0 secs Computing kpt #: 59 total cpu time spent up to now is 41.6 secs Computing kpt #: 60 total cpu time spent up to now is 42.3 secs Computing kpt #: 61 total cpu time spent up to now is 43.0 secs Computing kpt #: 62 total cpu time spent up to now is 43.6 secs Computing kpt #: 63 total cpu time spent up to now is 44.4 secs Computing kpt #: 64 total cpu time spent up to now is 45.1 secs Computing kpt #: 65 total cpu time spent up to now is 45.9 secs Computing kpt #: 66 total cpu time spent up to now is 46.7 secs Computing kpt #: 67 total cpu time spent up to now is 47.5 secs Computing kpt #: 68 total cpu time spent up to now is 48.4 secs Computing kpt #: 69 total cpu time spent up to now is 49.7 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.2 secs Computing kpt #: 71 total cpu time spent up to now is 52.5 secs Computing kpt #: 72 total cpu time spent up to now is 53.9 secs Computing kpt #: 73 total cpu time spent up to now is 54.7 secs Computing kpt #: 74 total cpu time spent up to now is 55.4 secs Computing kpt #: 75 total cpu time spent up to now is 56.1 secs Computing kpt #: 76 total cpu time spent up to now is 56.9 secs Computing kpt #: 77 total cpu time spent up to now is 57.5 secs Computing kpt #: 78 total cpu time spent up to now is 58.2 secs Computing kpt #: 79 total cpu time spent up to now is 58.9 secs Computing kpt #: 80 total cpu time spent up to now is 59.6 secs Computing kpt #: 81 total cpu time spent up to now is 60.2 secs Computing kpt #: 82 total cpu time spent up to now is 60.8 secs Computing kpt #: 83 total cpu time spent up to now is 61.5 secs Computing kpt #: 84 total cpu time spent up to now is 62.2 secs Computing kpt #: 85 total cpu time spent up to now is 62.9 secs Computing kpt #: 86 total cpu time spent up to now is 63.6 secs Computing kpt #: 87 total cpu time spent up to now is 64.2 secs Computing kpt #: 88 total cpu time spent up to now is 64.8 secs Computing kpt #: 89 total cpu time spent up to now is 65.5 secs Computing kpt #: 90 total cpu time spent up to now is 66.1 secs Computing kpt #: 91 total cpu time spent up to now is 66.7 secs Computing kpt #: 92 total cpu time spent up to now is 67.3 secs Computing kpt #: 93 total cpu time spent up to now is 67.9 secs Computing kpt #: 94 total cpu time spent up to now is 68.8 secs Computing kpt #: 95 total cpu time spent up to now is 69.5 secs Computing kpt #: 96 total cpu time spent up to now is 70.9 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.3 secs Computing kpt #: 98 total cpu time spent up to now is 73.4 secs Computing kpt #: 99 total cpu time spent up to now is 74.2 secs Computing kpt #: 100 total cpu time spent up to now is 75.0 secs Computing kpt #: 101 total cpu time spent up to now is 75.6 secs Computing kpt #: 102 total cpu time spent up to now is 76.2 secs Computing kpt #: 103 total cpu time spent up to now is 76.8 secs Computing kpt #: 104 total cpu time spent up to now is 77.3 secs Computing kpt #: 105 total cpu time spent up to now is 78.0 secs Computing kpt #: 106 total cpu time spent up to now is 78.6 secs Computing kpt #: 107 total cpu time spent up to now is 79.2 secs Computing kpt #: 108 total cpu time spent up to now is 79.8 secs Computing kpt #: 109 total cpu time spent up to now is 80.4 secs Computing kpt #: 110 total cpu time spent up to now is 81.0 secs Computing kpt #: 111 total cpu time spent up to now is 81.6 secs Computing kpt #: 112 total cpu time spent up to now is 82.2 secs Computing kpt #: 113 total cpu time spent up to now is 82.8 secs Computing kpt #: 114 total cpu time spent up to now is 83.4 secs Computing kpt #: 115 total cpu time spent up to now is 84.0 secs Computing kpt #: 116 total cpu time spent up to now is 84.5 secs Computing kpt #: 117 total cpu time spent up to now is 85.1 secs Computing kpt #: 118 total cpu time spent up to now is 85.7 secs Computing kpt #: 119 total cpu time spent up to now is 86.3 secs Computing kpt #: 120 total cpu time spent up to now is 86.8 secs Computing kpt #: 121 total cpu time spent up to now is 87.3 secs Computing kpt #: 122 total cpu time spent up to now is 87.8 secs Computing kpt #: 123 total cpu time spent up to now is 88.3 secs Computing kpt #: 124 total cpu time spent up to now is 88.9 secs Computing kpt #: 125 total cpu time spent up to now is 89.4 secs Computing kpt #: 126 total cpu time spent up to now is 89.9 secs Computing kpt #: 127 total cpu time spent up to now is 90.4 secs Computing kpt #: 128 total cpu time spent up to now is 90.9 secs Computing kpt #: 129 total cpu time spent up to now is 91.4 secs Computing kpt #: 130 total cpu time spent up to now is 91.9 secs Computing kpt #: 131 total cpu time spent up to now is 92.4 secs Computing kpt #: 132 total cpu time spent up to now is 93.3 secs Computing kpt #: 133 total cpu time spent up to now is 93.8 secs Computing kpt #: 134 total cpu time spent up to now is 94.4 secs Computing kpt #: 135 total cpu time spent up to now is 94.9 secs Computing kpt #: 136 total cpu time spent up to now is 95.4 secs Computing kpt #: 137 total cpu time spent up to now is 96.0 secs Computing kpt #: 138 total cpu time spent up to now is 96.5 secs Computing kpt #: 139 total cpu time spent up to now is 97.0 secs Computing kpt #: 140 total cpu time spent up to now is 97.5 secs Computing kpt #: 141 total cpu time spent up to now is 98.0 secs Computing kpt #: 142 total cpu time spent up to now is 98.7 secs Computing kpt #: 143 total cpu time spent up to now is 99.4 secs Computing kpt #: 144 total cpu time spent up to now is 100.1 secs Computing kpt #: 145 total cpu time spent up to now is 100.7 secs Computing kpt #: 146 total cpu time spent up to now is 101.3 secs Computing kpt #: 147 total cpu time spent up to now is 102.2 secs Computing kpt #: 148 total cpu time spent up to now is 103.1 secs Computing kpt #: 149 total cpu time spent up to now is 104.0 secs Computing kpt #: 150 total cpu time spent up to now is 104.9 secs Computing kpt #: 151 total cpu time spent up to now is 105.4 secs Computing kpt #: 152 total cpu time spent up to now is 106.0 secs Computing kpt #: 153 total cpu time spent up to now is 106.6 secs Computing kpt #: 154 total cpu time spent up to now is 107.2 secs Computing kpt #: 155 total cpu time spent up to now is 107.8 secs Computing kpt #: 156 total cpu time spent up to now is 108.4 secs Computing kpt #: 157 total cpu time spent up to now is 108.9 secs Computing kpt #: 158 total cpu time spent up to now is 109.4 secs Computing kpt #: 159 total cpu time spent up to now is 110.0 secs Computing kpt #: 160 total cpu time spent up to now is 110.5 secs Computing kpt #: 161 total cpu time spent up to now is 111.0 secs Computing kpt #: 162 total cpu time spent up to now is 111.5 secs Computing kpt #: 163 total cpu time spent up to now is 112.0 secs Computing kpt #: 164 total cpu time spent up to now is 112.5 secs Computing kpt #: 165 total cpu time spent up to now is 113.0 secs Computing kpt #: 166 total cpu time spent up to now is 113.5 secs Computing kpt #: 167 total cpu time spent up to now is 114.0 secs Computing kpt #: 168 total cpu time spent up to now is 114.4 secs Computing kpt #: 169 total cpu time spent up to now is 115.0 secs Computing kpt #: 170 total cpu time spent up to now is 115.5 secs Computing kpt #: 171 total cpu time spent up to now is 116.1 secs Computing kpt #: 172 total cpu time spent up to now is 116.6 secs Computing kpt #: 173 total cpu time spent up to now is 117.2 secs Computing kpt #: 174 total cpu time spent up to now is 117.8 secs Computing kpt #: 175 total cpu time spent up to now is 118.6 secs Computing kpt #: 176 total cpu time spent up to now is 119.5 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.8 secs Computing kpt #: 178 total cpu time spent up to now is 121.9 secs Computing kpt #: 179 total cpu time spent up to now is 122.7 secs Computing kpt #: 180 total cpu time spent up to now is 123.6 secs Computing kpt #: 181 total cpu time spent up to now is 124.5 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.8 secs Computing kpt #: 183 total cpu time spent up to now is 126.7 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.0 secs Computing kpt #: 185 total cpu time spent up to now is 128.6 secs Computing kpt #: 186 total cpu time spent up to now is 129.3 secs Computing kpt #: 187 total cpu time spent up to now is 129.9 secs Computing kpt #: 188 total cpu time spent up to now is 130.5 secs Computing kpt #: 189 total cpu time spent up to now is 131.1 secs Computing kpt #: 190 total cpu time spent up to now is 132.0 secs Computing kpt #: 191 total cpu time spent up to now is 132.8 secs Computing kpt #: 192 total cpu time spent up to now is 133.7 secs Computing kpt #: 193 total cpu time spent up to now is 134.5 secs Computing kpt #: 194 total cpu time spent up to now is 135.3 secs Computing kpt #: 195 total cpu time spent up to now is 136.1 secs Computing kpt #: 196 total cpu time spent up to now is 136.8 secs Computing kpt #: 197 total cpu time spent up to now is 137.6 secs Computing kpt #: 198 total cpu time spent up to now is 138.4 secs Computing kpt #: 199 total cpu time spent up to now is 139.2 secs Computing kpt #: 200 total cpu time spent up to now is 139.9 secs Computing kpt #: 201 total cpu time spent up to now is 140.6 secs Computing kpt #: 202 total cpu time spent up to now is 141.4 secs Computing kpt #: 203 total cpu time spent up to now is 142.2 secs Computing kpt #: 204 total cpu time spent up to now is 143.1 secs Computing kpt #: 205 total cpu time spent up to now is 143.9 secs Computing kpt #: 206 total cpu time spent up to now is 144.6 secs Computing kpt #: 207 total cpu time spent up to now is 145.2 secs Computing kpt #: 208 total cpu time spent up to now is 146.1 secs Computing kpt #: 209 total cpu time spent up to now is 146.9 secs Computing kpt #: 210 total cpu time spent up to now is 147.8 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.2 secs Computing kpt #: 212 total cpu time spent up to now is 150.2 secs Computing kpt #: 213 total cpu time spent up to now is 151.0 secs Computing kpt #: 214 total cpu time spent up to now is 151.7 secs Computing kpt #: 215 total cpu time spent up to now is 152.4 secs Computing kpt #: 216 total cpu time spent up to now is 153.1 secs Computing kpt #: 217 total cpu time spent up to now is 153.9 secs Computing kpt #: 218 total cpu time spent up to now is 154.6 secs Computing kpt #: 219 total cpu time spent up to now is 155.4 secs Computing kpt #: 220 total cpu time spent up to now is 156.1 secs Computing kpt #: 221 total cpu time spent up to now is 156.9 secs Computing kpt #: 222 total cpu time spent up to now is 157.8 secs Computing kpt #: 223 total cpu time spent up to now is 158.6 secs Computing kpt #: 224 total cpu time spent up to now is 159.6 secs Computing kpt #: 225 total cpu time spent up to now is 160.7 secs Computing kpt #: 226 total cpu time spent up to now is 161.5 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.9 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.3 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.8 secs Computing kpt #: 230 total cpu time spent up to now is 167.0 secs Computing kpt #: 231 total cpu time spent up to now is 168.2 secs Computing kpt #: 232 total cpu time spent up to now is 168.8 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.2 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 171.6 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.0 secs Computing kpt #: 236 total cpu time spent up to now is 173.8 secs Computing kpt #: 237 total cpu time spent up to now is 174.6 secs Computing kpt #: 238 total cpu time spent up to now is 175.3 secs Computing kpt #: 239 total cpu time spent up to now is 176.1 secs Computing kpt #: 240 total cpu time spent up to now is 176.7 secs Computing kpt #: 241 total cpu time spent up to now is 177.4 secs Computing kpt #: 242 total cpu time spent up to now is 178.0 secs Computing kpt #: 243 total cpu time spent up to now is 178.7 secs Computing kpt #: 244 total cpu time spent up to now is 179.2 secs Computing kpt #: 245 total cpu time spent up to now is 179.9 secs Computing kpt #: 246 total cpu time spent up to now is 180.5 secs Computing kpt #: 247 total cpu time spent up to now is 181.2 secs Computing kpt #: 248 total cpu time spent up to now is 181.9 secs Computing kpt #: 249 total cpu time spent up to now is 182.6 secs Computing kpt #: 250 total cpu time spent up to now is 183.6 secs Computing kpt #: 251 total cpu time spent up to now is 184.9 secs Computing kpt #: 252 total cpu time spent up to now is 186.0 secs Computing kpt #: 253 total cpu time spent up to now is 187.2 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.7 secs Computing kpt #: 255 total cpu time spent up to now is 189.2 secs Computing kpt #: 256 total cpu time spent up to now is 190.1 secs Computing kpt #: 257 total cpu time spent up to now is 190.7 secs Computing kpt #: 258 total cpu time spent up to now is 191.5 secs Computing kpt #: 259 total cpu time spent up to now is 192.2 secs Computing kpt #: 260 total cpu time spent up to now is 192.9 secs Computing kpt #: 261 total cpu time spent up to now is 193.7 secs Computing kpt #: 262 total cpu time spent up to now is 194.4 secs Computing kpt #: 263 total cpu time spent up to now is 195.1 secs Computing kpt #: 264 total cpu time spent up to now is 195.9 secs Computing kpt #: 265 total cpu time spent up to now is 196.6 secs Computing kpt #: 266 total cpu time spent up to now is 197.3 secs Computing kpt #: 267 total cpu time spent up to now is 198.0 secs Computing kpt #: 268 total cpu time spent up to now is 198.7 secs Computing kpt #: 269 total cpu time spent up to now is 199.4 secs Computing kpt #: 270 total cpu time spent up to now is 200.2 secs Computing kpt #: 271 total cpu time spent up to now is 200.9 secs Computing kpt #: 272 total cpu time spent up to now is 201.6 secs Computing kpt #: 273 total cpu time spent up to now is 202.4 secs Computing kpt #: 274 total cpu time spent up to now is 203.1 secs Computing kpt #: 275 total cpu time spent up to now is 203.8 secs Computing kpt #: 276 total cpu time spent up to now is 204.7 secs Computing kpt #: 277 total cpu time spent up to now is 205.6 secs Computing kpt #: 278 total cpu time spent up to now is 206.5 secs Computing kpt #: 279 total cpu time spent up to now is 207.5 secs Computing kpt #: 280 total cpu time spent up to now is 208.5 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.9 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.3 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.7 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.0 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.5 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.8 secs Computing kpt #: 287 total cpu time spent up to now is 217.5 secs Computing kpt #: 288 total cpu time spent up to now is 218.2 secs Computing kpt #: 289 total cpu time spent up to now is 219.2 secs Computing kpt #: 290 total cpu time spent up to now is 220.1 secs Computing kpt #: 291 total cpu time spent up to now is 221.0 secs Computing kpt #: 292 total cpu time spent up to now is 221.9 secs Computing kpt #: 293 total cpu time spent up to now is 222.9 secs Computing kpt #: 294 total cpu time spent up to now is 223.7 secs Computing kpt #: 295 total cpu time spent up to now is 224.8 secs Computing kpt #: 296 total cpu time spent up to now is 226.0 secs Computing kpt #: 297 total cpu time spent up to now is 227.0 secs Computing kpt #: 298 total cpu time spent up to now is 228.0 secs Computing kpt #: 299 total cpu time spent up to now is 229.3 secs Computing kpt #: 300 total cpu time spent up to now is 230.2 secs Computing kpt #: 301 total cpu time spent up to now is 231.3 secs Computing kpt #: 302 total cpu time spent up to now is 232.4 secs Computing kpt #: 303 total cpu time spent up to now is 233.4 secs Computing kpt #: 304 total cpu time spent up to now is 234.3 secs Computing kpt #: 305 total cpu time spent up to now is 234.9 secs Computing kpt #: 306 total cpu time spent up to now is 235.6 secs Computing kpt #: 307 total cpu time spent up to now is 236.2 secs Computing kpt #: 308 total cpu time spent up to now is 236.8 secs Computing kpt #: 309 total cpu time spent up to now is 237.4 secs Computing kpt #: 310 total cpu time spent up to now is 238.0 secs Computing kpt #: 311 total cpu time spent up to now is 238.6 secs Computing kpt #: 312 total cpu time spent up to now is 239.2 secs Computing kpt #: 313 total cpu time spent up to now is 239.9 secs Computing kpt #: 314 total cpu time spent up to now is 240.5 secs Computing kpt #: 315 total cpu time spent up to now is 241.1 secs Computing kpt #: 316 total cpu time spent up to now is 241.7 secs Computing kpt #: 317 total cpu time spent up to now is 242.3 secs Computing kpt #: 318 total cpu time spent up to now is 242.9 secs Computing kpt #: 319 total cpu time spent up to now is 243.5 secs Computing kpt #: 320 total cpu time spent up to now is 244.1 secs Computing kpt #: 321 total cpu time spent up to now is 244.8 secs Computing kpt #: 322 total cpu time spent up to now is 245.5 secs Computing kpt #: 323 total cpu time spent up to now is 246.1 secs Computing kpt #: 324 total cpu time spent up to now is 246.8 secs Computing kpt #: 325 total cpu time spent up to now is 247.4 secs Computing kpt #: 326 total cpu time spent up to now is 248.0 secs Computing kpt #: 327 total cpu time spent up to now is 248.6 secs Computing kpt #: 328 total cpu time spent up to now is 249.2 secs Computing kpt #: 329 total cpu time spent up to now is 249.7 secs Computing kpt #: 330 total cpu time spent up to now is 250.3 secs Computing kpt #: 331 total cpu time spent up to now is 250.8 secs Computing kpt #: 332 total cpu time spent up to now is 251.4 secs Computing kpt #: 333 total cpu time spent up to now is 251.9 secs Computing kpt #: 334 total cpu time spent up to now is 252.4 secs Computing kpt #: 335 total cpu time spent up to now is 252.9 secs Computing kpt #: 336 total cpu time spent up to now is 253.5 secs Computing kpt #: 337 total cpu time spent up to now is 254.3 secs Computing kpt #: 338 total cpu time spent up to now is 255.2 secs Computing kpt #: 339 total cpu time spent up to now is 256.1 secs Computing kpt #: 340 total cpu time spent up to now is 257.2 secs Computing kpt #: 341 total cpu time spent up to now is 257.9 secs Computing kpt #: 342 total cpu time spent up to now is 258.6 secs Computing kpt #: 343 total cpu time spent up to now is 259.3 secs Computing kpt #: 344 total cpu time spent up to now is 259.9 secs Computing kpt #: 345 total cpu time spent up to now is 260.7 secs Computing kpt #: 346 total cpu time spent up to now is 261.3 secs Computing kpt #: 347 total cpu time spent up to now is 262.1 secs Computing kpt #: 348 total cpu time spent up to now is 262.8 secs Computing kpt #: 349 total cpu time spent up to now is 263.6 secs Computing kpt #: 350 total cpu time spent up to now is 264.3 secs Computing kpt #: 351 total cpu time spent up to now is 265.4 secs Computing kpt #: 352 total cpu time spent up to now is 266.3 secs Computing kpt #: 353 total cpu time spent up to now is 267.2 secs Computing kpt #: 354 total cpu time spent up to now is 268.1 secs Computing kpt #: 355 total cpu time spent up to now is 268.8 secs Computing kpt #: 356 total cpu time spent up to now is 269.6 secs Computing kpt #: 357 total cpu time spent up to now is 270.4 secs ethr = 2.63E-08, avg # of iterations = 43.4 total cpu time spent up to now is 270.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8263 -11.8263 -11.8073 -11.8073 -1.4974 -1.4974 2.2693 2.2693 4.6099 4.6099 6.5902 6.5902 6.6003 6.6003 7.0101 7.0101 7.0960 7.0960 7.5785 7.5785 7.6763 7.6763 8.1474 8.1474 8.4132 8.4132 8.4428 8.4428 8.8643 8.8643 8.8827 8.8827 8.9075 8.9075 10.7164 10.7164 11.6826 11.6826 11.7607 11.7607 13.5165 13.5165 k = 0.0000 0.0000 0.0182 ( 3001 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8262 -11.8262 -11.8072 -11.8072 -1.4962 -1.4962 2.2691 2.2691 4.6110 4.6110 6.5898 6.5898 6.5993 6.5993 7.0108 7.0108 7.0964 7.0964 7.5778 7.5778 7.6755 7.6755 8.1471 8.1471 8.4126 8.4126 8.4426 8.4426 8.8350 8.8350 8.8837 8.8837 8.9333 8.9333 10.7086 10.7086 11.6820 11.6820 11.7611 11.7611 13.5234 13.5234 k = 0.0000 0.0000 0.0363 ( 2997 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8264 -11.8264 -11.8073 -11.8073 -1.4924 -1.4924 2.2684 2.2684 4.6141 4.6141 6.5866 6.5866 6.5972 6.5972 7.0130 7.0130 7.0969 7.0969 7.5755 7.5755 7.6735 7.6735 8.1458 8.1458 8.4106 8.4106 8.4420 8.4420 8.7910 8.7910 8.8811 8.8811 8.9718 8.9718 10.6859 10.6859 11.6683 11.6683 11.7738 11.7738 13.5440 13.5440 k = 0.0000 0.0000 0.0545 ( 2997 PWs) bands (ev): -30.9068 -30.9068 -12.1933 -12.1933 -11.8266 -11.8266 -11.8073 -11.8073 -1.4860 -1.4860 2.2671 2.2671 4.6193 4.6193 6.5783 6.5783 6.5966 6.5966 7.0165 7.0165 7.0976 7.0976 7.5704 7.5704 7.6712 7.6712 8.1438 8.1438 8.4073 8.4073 8.4410 8.4410 8.7450 8.7450 8.8763 8.8763 9.0093 9.0093 10.6507 10.6507 11.6302 11.6302 11.8102 11.8102 13.5781 13.5781 k = 0.0000 0.0000 0.0727 ( 2985 PWs) bands (ev): -30.9068 -30.9068 -12.1935 -12.1935 -11.8270 -11.8270 -11.8073 -11.8073 -1.4772 -1.4772 2.2653 2.2653 4.6265 4.6265 6.5654 6.5654 6.5975 6.5975 7.0214 7.0214 7.0986 7.0986 7.5607 7.5607 7.6701 7.6701 8.1412 8.1412 8.4029 8.4029 8.4394 8.4394 8.6988 8.6988 8.8697 8.8697 9.0444 9.0444 10.6058 10.6058 11.5735 11.5735 11.8648 11.8648 13.6253 13.6253 k = 0.0000 0.0000 0.0908 ( 2973 PWs) bands (ev): -30.9067 -30.9067 -12.1937 -12.1937 -11.8274 -11.8274 -11.8074 -11.8074 -1.4659 -1.4659 2.2631 2.2631 4.6357 4.6357 6.5488 6.5488 6.5990 6.5990 7.0271 7.0271 7.1000 7.1000 7.5449 7.5449 7.6715 7.6715 8.1379 8.1379 8.3969 8.3969 8.4372 8.4372 8.6537 8.6537 8.8612 8.8612 9.0770 9.0770 10.5537 10.5537 11.5047 11.5047 11.9319 11.9319 13.6850 13.6850 k = 0.0000 0.0000 0.1090 ( 2973 PWs) bands (ev): -30.9067 -30.9067 -12.1941 -12.1941 -11.8280 -11.8280 -11.8074 -11.8074 -1.4520 -1.4520 2.2604 2.2604 4.6467 4.6467 6.5289 6.5289 6.6011 6.6011 7.0337 7.0337 7.1018 7.1018 7.5216 7.5216 7.6759 7.6759 8.1342 8.1342 8.3894 8.3894 8.4340 8.4340 8.6107 8.6107 8.8507 8.8507 9.1066 9.1066 10.4969 10.4969 11.4277 11.4277 12.0082 12.0082 13.7337 13.7337 k = 0.0000 0.0000 0.1271 ( 2967 PWs) bands (ev): -30.9066 -30.9066 -12.1944 -12.1944 -11.8287 -11.8287 -11.8075 -11.8075 -1.4358 -1.4358 2.2573 2.2573 4.6596 4.6596 6.5061 6.5061 6.6036 6.6036 7.0410 7.0410 7.1041 7.1041 7.4909 7.4909 7.6835 7.6835 8.1300 8.1300 8.3804 8.3804 8.4297 8.4297 8.5709 8.5709 8.8385 8.8385 9.1334 9.1334 10.4368 10.4368 11.3455 11.3455 12.0915 12.0915 13.7184 13.7184 k = 0.0000 0.0000 0.1453 ( 2967 PWs) bands (ev): -30.9065 -30.9065 -12.1949 -12.1949 -11.8294 -11.8294 -11.8076 -11.8076 -1.4171 -1.4171 2.2538 2.2538 4.6741 4.6741 6.4806 6.4806 6.6065 6.6065 7.0488 7.0488 7.1068 7.1068 7.4528 7.4528 7.6938 7.6938 8.1256 8.1256 8.3695 8.3695 8.4236 8.4236 8.5356 8.5356 8.8246 8.8246 9.1575 9.1575 10.3748 10.3748 11.2606 11.2606 12.1802 12.1802 13.7031 13.7031 k = 0.0000 0.0000 0.1635 ( 2967 PWs) bands (ev): -30.9064 -30.9064 -12.1954 -12.1954 -11.8303 -11.8303 -11.8077 -11.8077 -1.3961 -1.3961 2.2498 2.2498 4.6902 4.6902 6.4528 6.4528 6.6099 6.6099 7.0568 7.0568 7.1101 7.1101 7.4077 7.4077 7.7063 7.7063 8.1211 8.1211 8.3567 8.3567 8.4152 8.4152 8.5060 8.5060 8.8089 8.8089 9.1790 9.1790 10.3119 10.3119 11.1746 11.1746 12.2731 12.2731 13.6884 13.6884 k = 0.0000 0.0000 0.1816 ( 2967 PWs) bands (ev): -30.9064 -30.9064 -12.1960 -12.1960 -11.8313 -11.8313 -11.8079 -11.8079 -1.3727 -1.3727 2.2456 2.2456 4.7077 4.7077 6.4231 6.4231 6.6136 6.6136 7.0649 7.0649 7.1140 7.1140 7.3562 7.3562 7.7208 7.7208 8.1166 8.1166 8.3418 8.3418 8.4040 8.4040 8.4828 8.4828 8.7917 8.7917 9.1981 9.1981 10.2486 10.2486 11.0889 11.0889 12.3695 12.3695 13.6749 13.6749 k = 0.0000 0.0000 0.1998 ( 2965 PWs) bands (ev): -30.9062 -30.9062 -12.1966 -12.1966 -11.8323 -11.8323 -11.8080 -11.8080 -1.3470 -1.3470 2.2410 2.2410 4.7264 4.7264 6.3918 6.3918 6.6176 6.6176 7.0729 7.0729 7.1187 7.1187 7.2988 7.2988 7.7369 7.7369 8.1120 8.1120 8.3250 8.3250 8.3904 8.3904 8.4657 8.4657 8.7729 8.7729 9.2149 9.2149 10.1854 10.1854 11.0045 11.0045 12.4685 12.4685 13.6630 13.6630 k = 0.0000 0.0000 0.2180 ( 2963 PWs) bands (ev): -30.9061 -30.9061 -12.1973 -12.1973 -11.8335 -11.8335 -11.8081 -11.8081 -1.3191 -1.3191 2.2361 2.2361 4.7460 4.7460 6.3592 6.3592 6.6220 6.6220 7.0801 7.0801 7.1240 7.1240 7.2367 7.2367 7.7544 7.7544 8.1076 8.1076 8.3067 8.3067 8.3755 8.3755 8.4528 8.4528 8.7526 8.7526 9.2297 9.2297 10.1228 10.1228 10.9222 10.9222 12.5696 12.5696 13.6531 13.6531 k = 0.0000 0.0000 0.2361 ( 2968 PWs) bands (ev): -30.9060 -30.9060 -12.1980 -12.1980 -11.8347 -11.8347 -11.8083 -11.8083 -1.2890 -1.2890 2.2309 2.2309 4.7663 4.7663 6.3258 6.3258 6.6268 6.6268 7.0846 7.0846 7.1299 7.1299 7.1727 7.1727 7.7731 7.7731 8.1031 8.1031 8.2876 8.2876 8.3604 8.3604 8.4422 8.4422 8.7310 8.7310 9.2425 9.2425 10.0609 10.0609 10.8425 10.8425 12.6723 12.6723 13.6456 13.6456 k = 0.0000 0.0000 0.2543 ( 2966 PWs) bands (ev): -30.9059 -30.9059 -12.1988 -12.1988 -11.8359 -11.8359 -11.8085 -11.8085 -1.2568 -1.2568 2.2256 2.2256 4.7870 4.7870 6.2921 6.2921 6.6318 6.6318 7.0705 7.0705 7.1205 7.1205 7.1393 7.1393 7.7930 7.7930 8.0986 8.0986 8.2684 8.2684 8.3455 8.3455 8.4327 8.4327 8.7081 8.7081 9.2538 9.2538 9.9999 9.9999 10.7659 10.7659 12.7761 12.7761 13.6408 13.6408 k = 0.0000 0.0000 0.2724 ( 2962 PWs) bands (ev): -30.9057 -30.9057 -12.1995 -12.1995 -11.8373 -11.8373 -11.8086 -11.8086 -1.2226 -1.2226 2.2201 2.2201 4.8078 4.8078 6.2584 6.2584 6.6372 6.6372 7.0096 7.0096 7.1146 7.1146 7.1464 7.1464 7.8137 7.8137 8.0940 8.0940 8.2498 8.2498 8.3309 8.3309 8.4235 8.4235 8.6841 8.6841 9.2634 9.2634 9.9400 9.9400 10.6928 10.6928 12.8805 12.8805 13.6387 13.6387 k = 0.0000 0.0000 0.2906 ( 2964 PWs) bands (ev): -30.9056 -30.9056 -12.2004 -12.2004 -11.8387 -11.8387 -11.8088 -11.8088 -1.1864 -1.1864 2.2144 2.2144 4.8282 4.8282 6.2254 6.2254 6.6428 6.6428 6.9342 6.9342 7.1194 7.1194 7.1551 7.1551 7.8352 7.8352 8.0890 8.0890 8.2321 8.2321 8.3166 8.3166 8.4139 8.4139 8.6591 8.6591 9.2716 9.2716 9.8812 9.8812 10.6232 10.6232 12.9853 12.9853 13.6397 13.6397 k = 0.0000 0.0000 0.3088 ( 2952 PWs) bands (ev): -30.9054 -30.9054 -12.2012 -12.2012 -11.8401 -11.8401 -11.8089 -11.8089 -1.1483 -1.1483 2.2087 2.2087 4.8479 4.8479 6.1937 6.1937 6.6488 6.6488 6.8551 6.8551 7.1258 7.1258 7.1645 7.1645 7.8574 7.8574 8.0835 8.0835 8.2155 8.2155 8.3026 8.3026 8.4039 8.4039 8.6333 8.6333 9.2787 9.2787 9.8236 9.8236 10.5574 10.5574 13.0899 13.0899 13.6438 13.6438 k = 0.0000 0.0000 0.3269 ( 2944 PWs) bands (ev): -30.9053 -30.9053 -12.2021 -12.2021 -11.8415 -11.8415 -11.8091 -11.8091 -1.1084 -1.1084 2.2029 2.2029 4.8662 4.8662 6.1639 6.1639 6.6550 6.6550 6.7740 6.7740 7.1326 7.1326 7.1744 7.1744 7.8801 7.8801 8.0772 8.0772 8.2003 8.2003 8.2889 8.2889 8.3933 8.3933 8.6068 8.6068 9.2846 9.2846 9.7673 9.7673 10.4953 10.4953 13.1939 13.1939 13.6510 13.6510 k = 0.0000 0.0000 0.3451 ( 2944 PWs) bands (ev): -30.9051 -30.9051 -12.2030 -12.2030 -11.8431 -11.8431 -11.8092 -11.8092 -1.0668 -1.0668 2.1971 2.1971 4.8826 4.8826 6.1367 6.1367 6.6611 6.6611 6.6920 6.6920 7.1395 7.1395 7.1846 7.1846 7.9031 7.9031 8.0698 8.0698 8.1863 8.1863 8.2754 8.2754 8.3819 8.3819 8.5798 8.5798 9.2895 9.2895 9.7121 9.7121 10.4369 10.4369 13.2969 13.2969 13.6612 13.6612 k = 0.0000 0.0000 0.3633 ( 2952 PWs) bands (ev): -30.9050 -30.9050 -12.2040 -12.2040 -11.8447 -11.8447 -11.8094 -11.8094 -1.0236 -1.0236 2.1912 2.1912 4.8966 4.8966 6.1128 6.1128 6.6084 6.6084 6.6683 6.6683 7.1466 7.1466 7.1949 7.1949 7.9262 7.9262 8.0612 8.0612 8.1736 8.1736 8.2622 8.2622 8.3698 8.3698 8.5525 8.5525 9.2935 9.2935 9.6580 9.6580 10.3821 10.3821 13.3984 13.3984 13.6743 13.6743 k = 0.0000 0.0000 0.3814 ( 2940 PWs) bands (ev): -30.9048 -30.9048 -12.2050 -12.2050 -11.8462 -11.8462 -11.8095 -11.8095 -0.9789 -0.9789 2.1854 2.1854 4.9076 4.9076 6.0929 6.0929 6.5255 6.5255 6.6751 6.6751 7.1538 7.1538 7.2054 7.2054 7.9491 7.9491 8.0515 8.0515 8.1624 8.1624 8.2494 8.2494 8.3570 8.3570 8.5254 8.5254 9.2969 9.2969 9.6053 9.6053 10.3307 10.3307 13.4982 13.4982 13.6901 13.6901 k = 0.0000 0.0000 0.3996 ( 2936 PWs) bands (ev): -30.9046 -30.9046 -12.2059 -12.2059 -11.8478 -11.8478 -11.8097 -11.8097 -0.9329 -0.9329 2.1797 2.1797 4.9151 4.9151 6.0778 6.0778 6.4427 6.4427 6.6820 6.6820 7.1612 7.1612 7.2158 7.2158 7.9714 7.9714 8.0407 8.0407 8.1521 8.1521 8.2369 8.2369 8.3438 8.3438 8.4988 8.4988 9.2995 9.2995 9.5537 9.5537 10.2824 10.2824 13.5954 13.5954 13.7083 13.7083 k = 0.0000 0.0000 0.4177 ( 2934 PWs) bands (ev): -30.9044 -30.9044 -12.2069 -12.2069 -11.8495 -11.8495 -11.8098 -11.8098 -0.8856 -0.8856 2.1740 2.1740 4.9187 4.9187 6.0678 6.0678 6.3605 6.3605 6.6891 6.6891 7.1685 7.1685 7.2260 7.2260 7.9921 7.9921 8.0295 8.0295 8.1428 8.1428 8.2246 8.2246 8.3303 8.3303 8.4733 8.4733 9.3015 9.3015 9.5032 9.5032 10.2371 10.2371 13.6894 13.6894 13.7286 13.7286 k = 0.0000 0.0000 0.4359 ( 2934 PWs) bands (ev): -30.9043 -30.9043 -12.2080 -12.2080 -11.8511 -11.8511 -11.8100 -11.8100 -0.8371 -0.8371 2.1685 2.1685 4.9181 4.9181 6.0633 6.0633 6.2792 6.2792 6.6963 6.6963 7.1759 7.1759 7.2360 7.2360 8.0051 8.0051 8.0238 8.0238 8.1338 8.1338 8.2124 8.2124 8.3169 8.3169 8.4495 8.4495 9.3029 9.3029 9.4539 9.4539 10.1943 10.1943 13.7469 13.7469 13.7832 13.7832 k = 0.0000 0.0000 0.4541 ( 2942 PWs) bands (ev): -30.9041 -30.9041 -12.2090 -12.2090 -11.8528 -11.8528 -11.8101 -11.8101 -0.7877 -0.7877 2.1631 2.1631 4.9133 4.9133 6.0646 6.0646 6.1992 6.1992 6.7035 6.7035 7.1833 7.1833 7.2457 7.2457 7.9971 7.9971 8.0360 8.0360 8.1252 8.1252 8.1998 8.1998 8.3038 8.3038 8.4283 8.4283 9.3039 9.3039 9.4055 9.4055 10.1537 10.1537 13.7678 13.7678 13.8703 13.8703 k = 0.0000 0.0000 0.4722 ( 2948 PWs) bands (ev): -30.9039 -30.9039 -12.2101 -12.2101 -11.8545 -11.8545 -11.8103 -11.8103 -0.7374 -0.7374 2.1579 2.1579 4.9044 4.9044 6.0707 6.0707 6.1213 6.1213 6.7108 6.7108 7.1907 7.1907 7.2549 7.2549 7.9834 7.9834 8.0500 8.0500 8.1169 8.1169 8.1865 8.1865 8.2915 8.2915 8.4110 8.4110 9.3043 9.3043 9.3584 9.3584 10.1147 10.1147 13.7864 13.7864 13.9537 13.9537 k = 0.0000 0.0000 0.4904 ( 2960 PWs) bands (ev): -30.9037 -30.9037 -12.2111 -12.2111 -11.8562 -11.8562 -11.8105 -11.8105 -0.6864 -0.6864 2.1529 2.1529 4.8917 4.8917 6.0402 6.0402 6.0871 6.0871 6.7181 6.7181 7.1981 7.1981 7.2637 7.2637 7.9686 7.9686 8.0599 8.0599 8.1091 8.1091 8.1720 8.1720 8.2806 8.2806 8.3988 8.3988 9.3028 9.3028 9.3137 9.3137 10.0773 10.0773 13.8009 13.8009 14.0121 14.0121 k = 0.0000 0.0000 0.5086 ( 2964 PWs) bands (ev): -30.9036 -30.9036 -12.2122 -12.2122 -11.8578 -11.8578 -11.8106 -11.8106 -0.6349 -0.6349 2.1481 2.1481 4.8756 4.8756 5.9657 5.9657 6.1038 6.1038 6.7254 6.7254 7.2054 7.2054 7.2719 7.2719 7.9535 7.9535 8.0633 8.0633 8.1021 8.1021 8.1562 8.1562 8.2714 8.2714 8.3931 8.3931 9.2657 9.2657 9.3053 9.3053 10.0407 10.0407 13.8085 13.8085 14.0213 14.0213 k = 0.0000 0.0000 0.5267 ( 2956 PWs) bands (ev): -30.9034 -30.9034 -12.2132 -12.2132 -11.8594 -11.8594 -11.8107 -11.8107 -0.5830 -0.5830 2.1435 2.1435 4.8568 4.8568 5.8920 5.8920 6.1263 6.1263 6.7327 6.7327 7.2127 7.2127 7.2795 7.2795 7.9381 7.9381 8.0596 8.0596 8.0956 8.0956 8.1394 8.1394 8.2643 8.2643 8.3946 8.3946 9.2214 9.2214 9.3048 9.3048 10.0046 10.0046 13.8058 13.8058 14.0202 14.0202 k = 0.0000 0.0000 0.5449 ( 2954 PWs) bands (ev): -30.9032 -30.9032 -12.2142 -12.2142 -11.8609 -11.8609 -11.8108 -11.8108 -0.5310 -0.5310 2.1392 2.1392 4.8358 4.8358 5.8202 5.8202 6.1529 6.1529 6.7399 6.7399 7.2199 7.2199 7.2864 7.2864 7.9227 7.9227 8.0495 8.0495 8.0878 8.0878 8.1223 8.1223 8.2594 8.2594 8.4031 8.4031 9.1778 9.1778 9.3042 9.3042 9.9686 9.9686 13.7892 13.7892 13.9365 13.9365 k = 0.0000 0.0000 0.5630 ( 2946 PWs) bands (ev): -30.9030 -30.9030 -12.2151 -12.2151 -11.8625 -11.8625 -11.8109 -11.8109 -0.4788 -0.4788 2.1350 2.1350 4.8134 4.8134 5.7504 5.7504 6.1830 6.1830 6.7470 6.7470 7.2269 7.2269 7.2925 7.2925 7.9074 7.9074 8.0345 8.0345 8.0768 8.0768 8.1067 8.1067 8.2564 8.2564 8.4178 8.4178 9.1349 9.1349 9.3035 9.3035 9.9321 9.9321 13.7556 13.7556 13.8278 13.8278 k = 0.0000 0.0000 0.5812 ( 2946 PWs) bands (ev): -30.9028 -30.9028 -12.2161 -12.2161 -11.8640 -11.8640 -11.8110 -11.8110 -0.4269 -0.4269 2.1312 2.1312 4.7900 4.7900 5.6828 5.6828 6.2159 6.2159 6.7539 6.7539 7.2338 7.2338 7.2977 7.2977 7.8921 7.8921 8.0154 8.0154 8.0614 8.0614 8.0944 8.0944 8.2550 8.2550 8.4379 8.4379 9.0928 9.0928 9.3026 9.3026 9.8950 9.8950 13.7028 13.7028 13.7303 13.7303 k = 0.0000 0.0000 0.5994 ( 2946 PWs) bands (ev): -30.9027 -30.9027 -12.2170 -12.2170 -11.8655 -11.8655 -11.8111 -11.8111 -0.3753 -0.3753 2.1275 2.1275 4.7664 4.7664 5.6176 5.6176 6.2510 6.2510 6.7607 6.7607 7.2404 7.2404 7.3020 7.3020 7.8770 7.8770 7.9932 7.9932 8.0422 8.0422 8.0855 8.0855 8.2548 8.2548 8.4620 8.4620 9.0514 9.0514 9.3016 9.3016 9.8569 9.8569 13.6296 13.6296 13.6488 13.6488 k = 0.0000 0.0000 0.6175 ( 2950 PWs) bands (ev): -30.9025 -30.9025 -12.2180 -12.2180 -11.8669 -11.8669 -11.8112 -11.8112 -0.3242 -0.3242 2.1242 2.1242 4.7430 4.7430 5.5547 5.5547 6.2878 6.2878 6.7672 6.7672 7.2468 7.2468 7.3055 7.3055 7.8620 7.8620 7.9687 7.9687 8.0209 8.0209 8.0791 8.0791 8.2555 8.2555 8.4893 8.4893 9.0106 9.0106 9.3005 9.3005 9.8175 9.8175 13.5521 13.5521 13.5708 13.5708 k = 0.0000 0.0000 0.6357 ( 2952 PWs) bands (ev): -30.9023 -30.9023 -12.2189 -12.2189 -11.8683 -11.8683 -11.8113 -11.8113 -0.2739 -0.2739 2.1210 2.1210 4.7203 4.7203 5.4943 5.4943 6.3256 6.3256 6.7734 6.7734 7.2529 7.2529 7.3081 7.3081 7.8471 7.8471 7.9429 7.9429 7.9982 7.9982 8.0746 8.0746 8.2567 8.2567 8.5191 8.5191 8.9706 8.9706 9.2993 9.2993 9.7769 9.7769 13.4709 13.4709 13.4996 13.4996 k = 0.0000 0.0000 0.6539 ( 2948 PWs) bands (ev): -30.9022 -30.9022 -12.2197 -12.2197 -11.8696 -11.8696 -11.8113 -11.8113 -0.2245 -0.2245 2.1181 2.1181 4.6986 4.6986 5.4365 5.4365 6.3641 6.3641 6.7795 6.7795 7.2587 7.2587 7.3100 7.3100 7.8323 7.8323 7.9164 7.9164 7.9748 7.9748 8.0717 8.0717 8.2585 8.2585 8.5507 8.5507 8.9312 8.9312 9.2980 9.2980 9.7351 9.7351 13.3792 13.3792 13.4453 13.4453 k = 0.0000 0.0000 0.6720 ( 2948 PWs) bands (ev): -30.9020 -30.9020 -12.2206 -12.2206 -11.8709 -11.8709 -11.8114 -11.8114 -0.1763 -0.1763 2.1155 2.1155 4.6783 4.6783 5.3813 5.3813 6.4026 6.4026 6.7852 6.7852 7.2640 7.2640 7.3114 7.3114 7.8174 7.8174 7.8898 7.8898 7.9510 7.9510 8.0703 8.0703 8.2605 8.2605 8.5836 8.5836 8.8925 8.8925 9.2968 9.2968 9.6921 9.6921 13.2826 13.2826 13.4051 13.4051 k = 0.0000 0.0000 0.6902 ( 2948 PWs) bands (ev): -30.9019 -30.9019 -12.2214 -12.2214 -11.8722 -11.8722 -11.8115 -11.8115 -0.1294 -0.1294 2.1131 2.1131 4.6596 4.6596 5.3288 5.3288 6.4406 6.4406 6.7906 6.7906 7.2686 7.2686 7.3126 7.3126 7.8023 7.8023 7.8636 7.8636 7.9269 7.9269 8.0704 8.0704 8.2627 8.2627 8.6176 8.6176 8.8544 8.8544 9.2955 9.2955 9.6483 9.6483 13.1842 13.1842 13.3778 13.3778 k = 0.0000 0.0000 0.7084 ( 2952 PWs) bands (ev): -30.9017 -30.9017 -12.2222 -12.2222 -11.8734 -11.8734 -11.8115 -11.8115 -0.0840 -0.0840 2.1109 2.1109 4.6428 4.6428 5.2791 5.2791 6.4778 6.4778 6.7958 6.7958 7.2722 7.2722 7.3139 7.3139 7.7866 7.7866 7.8384 7.8384 7.9029 7.9029 8.0720 8.0720 8.2651 8.2651 8.6520 8.6520 8.8170 8.8170 9.2942 9.2942 9.6039 9.6039 13.0857 13.0857 13.3628 13.3628 k = 0.0000 0.0000 0.7265 ( 2954 PWs) bands (ev): -30.9016 -30.9016 -12.2229 -12.2229 -11.8745 -11.8745 -11.8116 -11.8116 -0.0404 -0.0404 2.1089 2.1089 4.6279 4.6279 5.2321 5.2321 6.5136 6.5136 6.8005 6.8005 7.2748 7.2748 7.3159 7.3159 7.7697 7.7697 7.8149 7.8149 7.8790 7.8790 8.0750 8.0750 8.2674 8.2674 8.6868 8.6868 8.7803 8.7803 9.2930 9.2930 9.5594 9.5594 12.9885 12.9885 13.3599 13.3599 k = 0.0000 0.0000 0.7447 ( 2954 PWs) bands (ev): -30.9014 -30.9014 -12.2236 -12.2236 -11.8756 -11.8756 -11.8116 -11.8116 0.0013 0.0013 2.1072 2.1072 4.6151 4.6151 5.1880 5.1880 6.5475 6.5475 6.8050 6.8050 7.2763 7.2763 7.3190 7.3190 7.7510 7.7510 7.7937 7.7937 7.8557 7.8557 8.0796 8.0796 8.2699 8.2699 8.7202 8.7202 8.7457 8.7457 9.2918 9.2918 9.5153 9.5153 12.8934 12.8934 13.3686 13.3686 k = 0.0000 0.0000 0.7628 ( 2952 PWs) bands (ev): -30.9013 -30.9013 -12.2242 -12.2242 -11.8766 -11.8766 -11.8117 -11.8117 0.0409 0.0409 2.1056 2.1056 4.6043 4.6043 5.1467 5.1467 6.5790 6.5790 6.8091 6.8091 7.2771 7.2771 7.3231 7.3231 7.7304 7.7304 7.7747 7.7747 7.8334 7.8334 8.0857 8.0857 8.2723 8.2723 8.7069 8.7069 8.7583 8.7583 9.2906 9.2906 9.4719 9.4719 12.8014 12.8014 13.3883 13.3883 k = 0.0000 0.0000 0.7810 ( 2952 PWs) bands (ev): -30.9012 -30.9012 -12.2248 -12.2248 -11.8775 -11.8775 -11.8117 -11.8117 0.0783 0.0783 2.1042 2.1042 4.5956 4.5956 5.1084 5.1084 6.6078 6.6078 6.8128 6.8128 7.2778 7.2778 7.3283 7.3283 7.7085 7.7085 7.7569 7.7569 7.8124 7.8124 8.0933 8.0933 8.2746 8.2746 8.6725 8.6725 8.7921 8.7921 9.2895 9.2895 9.4300 9.4300 12.7132 12.7132 13.4186 13.4186 k = 0.0000 0.0000 0.7992 ( 2948 PWs) bands (ev): -30.9011 -30.9011 -12.2254 -12.2254 -11.8783 -11.8783 -11.8117 -11.8117 0.1132 0.1132 2.1030 2.1030 4.5888 4.5888 5.0730 5.0730 6.6333 6.6333 6.8162 6.8162 7.2792 7.2792 7.3343 7.3343 7.6862 7.6862 7.7389 7.7389 7.7937 7.7937 8.1024 8.1024 8.2769 8.2769 8.6383 8.6383 8.8255 8.8255 9.2884 9.2884 9.3899 9.3899 12.6293 12.6293 13.4587 13.4587 k = 0.0000 0.0000 0.8173 ( 2948 PWs) bands (ev): -30.9010 -30.9010 -12.2259 -12.2259 -11.8791 -11.8791 -11.8117 -11.8117 0.1456 0.1456 2.1019 2.1019 4.5838 4.5838 5.0406 5.0406 6.6552 6.6552 6.8192 6.8192 7.2817 7.2817 7.3410 7.3410 7.6639 7.6639 7.7198 7.7198 7.7776 7.7776 8.1129 8.1129 8.2790 8.2790 8.6048 8.6048 8.8578 8.8578 9.2874 9.2874 9.3522 9.3522 12.5503 12.5503 13.5078 13.5078 k = 0.0000 0.0000 0.8355 ( 2942 PWs) bands (ev): -30.9009 -30.9009 -12.2264 -12.2264 -11.8798 -11.8798 -11.8117 -11.8117 0.1753 0.1753 2.1010 2.1010 4.5805 4.5805 5.0112 5.0112 6.6734 6.6734 6.8220 6.8220 7.2861 7.2861 7.3483 7.3483 7.6422 7.6422 7.6993 7.6993 7.7643 7.7643 8.1250 8.1250 8.2809 8.2809 8.5721 8.5721 8.8887 8.8887 9.2862 9.2862 9.3175 9.3175 12.4769 12.4769 13.5651 13.5651 k = 0.0000 0.0000 0.8537 ( 2946 PWs) bands (ev): -30.9008 -30.9008 -12.2268 -12.2268 -11.8805 -11.8805 -11.8118 -11.8118 0.2021 0.2021 2.1002 2.1002 4.5785 4.5785 4.9848 4.9848 6.6877 6.6877 6.8243 6.8243 7.2925 7.2925 7.3562 7.3562 7.6210 7.6210 7.6775 7.6775 7.7534 7.7534 8.1384 8.1384 8.2826 8.2826 8.5401 8.5401 8.9177 8.9177 9.2808 9.2808 9.2898 9.2898 12.4094 12.4094 13.6294 13.6294 k = 0.0000 0.0000 0.8718 ( 2950 PWs) bands (ev): -30.9007 -30.9007 -12.2272 -12.2272 -11.8810 -11.8810 -11.8118 -11.8118 0.2260 0.2260 2.0996 2.0996 4.5776 4.5776 4.9615 4.9615 6.6984 6.6984 6.8264 6.8264 7.3011 7.3011 7.3648 7.3648 7.6007 7.6007 7.6551 7.6551 7.7446 7.7446 8.1531 8.1531 8.2841 8.2841 8.5091 8.5091 8.9445 8.9445 9.2550 9.2550 9.2859 9.2859 12.3484 12.3484 13.6990 13.6990 k = 0.0000 0.0000 0.8900 ( 2962 PWs) bands (ev): -30.9007 -30.9007 -12.2276 -12.2276 -11.8816 -11.8816 -11.8119 -11.8119 0.2469 0.2469 2.0990 2.0990 4.5777 4.5777 4.9412 4.9412 6.7057 6.7057 6.8282 6.8282 7.3117 7.3117 7.3741 7.3741 7.5810 7.5810 7.6327 7.6327 7.7373 7.7373 8.1690 8.1690 8.2853 8.2853 8.4790 8.4790 8.9688 8.9688 9.2298 9.2298 9.2850 9.2850 12.2944 12.2944 13.7711 13.7711 k = 0.0000 0.0000 0.9081 ( 2954 PWs) bands (ev): -30.9006 -30.9006 -12.2278 -12.2278 -11.8820 -11.8820 -11.8118 -11.8118 0.2647 0.2647 2.0986 2.0986 4.5783 4.5783 4.9241 4.9241 6.7104 6.7104 6.8296 6.8296 7.3238 7.3238 7.3844 7.3844 7.5622 7.5622 7.6110 7.6110 7.7313 7.7313 8.1862 8.1862 8.2863 8.2863 8.4502 8.4502 8.9902 8.9902 9.2081 9.2081 9.2845 9.2845 12.2478 12.2478 13.8407 13.8407 k = 0.0000 0.0000 0.9263 ( 2954 PWs) bands (ev): -30.9006 -30.9006 -12.2280 -12.2280 -11.8823 -11.8823 -11.8119 -11.8119 0.2794 0.2794 2.0982 2.0982 4.5793 4.5793 4.9100 4.9100 6.7131 6.7131 6.8308 6.8308 7.3362 7.3362 7.3959 7.3959 7.5436 7.5436 7.5909 7.5909 7.7266 7.7266 8.2042 8.2042 8.2868 8.2868 8.4229 8.4229 9.0083 9.0083 9.1901 9.1901 9.2841 9.2841 12.2091 12.2091 13.8996 13.8996 k = 0.0000 0.0000 0.9445 ( 2960 PWs) bands (ev): -30.9005 -30.9005 -12.2282 -12.2282 -11.8826 -11.8826 -11.8119 -11.8119 0.2908 0.2908 2.0979 2.0979 4.5804 4.5804 4.8990 4.8990 6.7143 6.7143 6.8317 6.8317 7.3478 7.3478 7.4092 7.4092 7.5249 7.5249 7.5737 7.5737 7.7230 7.7230 8.2227 8.2227 8.2866 8.2866 8.3977 8.3977 9.0228 9.0228 9.1757 9.1757 9.2838 9.2838 12.1786 12.1786 13.9395 13.9395 k = 0.0000 0.0000 0.9626 ( 2960 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8828 -11.8828 -11.8119 -11.8119 0.2990 0.2990 2.0978 2.0978 4.5813 4.5813 4.8912 4.8912 6.7146 6.7146 6.8324 6.8324 7.3572 7.3572 7.4243 7.4243 7.5058 7.5058 7.5605 7.5605 7.7205 7.7205 8.2411 8.2411 8.2853 8.2853 8.3758 8.3758 9.0335 9.0335 9.1654 9.1654 9.2836 9.2836 12.1565 12.1565 13.9613 13.9613 k = 0.0000 0.0000 0.9808 ( 2960 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8119 -11.8119 0.3040 0.3040 2.0976 2.0976 4.5819 4.5819 4.8865 4.8865 6.7147 6.7147 6.8328 6.8328 7.3632 7.3632 7.4407 7.4407 7.4870 7.4870 7.5522 7.5522 7.7190 7.7190 8.2580 8.2580 8.2815 8.2815 8.3597 8.3597 9.0401 9.0401 9.1591 9.1591 9.2835 9.2835 12.1432 12.1432 13.9714 13.9714 k = 0.0000 0.0000 0.9990 ( 2968 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8830 -11.8830 -11.8119 -11.8119 0.3056 0.3056 2.0976 2.0976 4.5821 4.5821 4.8849 4.8849 6.7146 6.7146 6.8328 6.8328 7.3653 7.3653 7.4515 7.4515 7.4754 7.4754 7.5495 7.5495 7.7185 7.7185 8.2686 8.2686 8.2760 8.2760 8.3533 8.3533 9.0423 9.0423 9.1568 9.1568 9.2835 9.2835 12.1388 12.1388 13.9743 13.9743 k = 0.0000 0.0000 0.9990 ( 2968 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8830 -11.8830 -11.8119 -11.8119 0.3056 0.3056 2.0976 2.0976 4.5821 4.5821 4.8849 4.8849 6.7146 6.7146 6.8328 6.8328 7.3653 7.3653 7.4515 7.4515 7.4754 7.4754 7.5495 7.5495 7.7185 7.7185 8.2686 8.2686 8.2760 8.2760 8.3533 8.3533 9.0423 9.0423 9.1568 9.1568 9.2835 9.2835 12.1388 12.1388 13.9743 13.9743 k =-0.0084 0.0145 0.9990 ( 2964 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8829 -11.8829 -11.8119 -11.8119 0.3057 0.3057 2.0941 2.0941 4.5833 4.5833 4.8884 4.8884 6.7094 6.7094 6.8350 6.8350 7.3655 7.3655 7.4515 7.4515 7.4755 7.4755 7.5496 7.5496 7.7183 7.7183 8.2672 8.2672 8.2764 8.2764 8.3554 8.3554 9.0461 9.0461 9.1569 9.1569 9.2850 9.2850 12.1387 12.1387 13.9766 13.9766 k =-0.0167 0.0289 0.9990 ( 2960 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8828 -11.8828 -11.8119 -11.8119 0.3060 0.3060 2.0836 2.0836 4.5869 4.5869 4.8990 4.8990 6.6948 6.6948 6.8403 6.8403 7.3661 7.3661 7.4514 7.4514 7.4760 7.4760 7.5501 7.5501 7.7176 7.7176 8.2628 8.2628 8.2770 8.2770 8.3622 8.3622 9.0574 9.0574 9.1571 9.1571 9.2894 9.2894 12.1385 12.1385 13.9834 13.9834 k =-0.0251 0.0434 0.9990 ( 2964 PWs) bands (ev): -30.9005 -30.9005 -12.2283 -12.2283 -11.8827 -11.8827 -11.8119 -11.8119 0.3064 0.3064 2.0664 2.0664 4.5927 4.5927 4.9163 4.9163 6.6730 6.6730 6.8468 6.8468 7.3670 7.3670 7.4514 7.4514 7.4766 7.4766 7.5509 7.5509 7.7164 7.7164 8.2550 8.2550 8.2771 8.2771 8.3746 8.3746 9.0757 9.0757 9.1572 9.1572 9.2970 9.2970 12.1381 12.1381 13.9939 13.9939 k =-0.0334 0.0578 0.9990 ( 2952 PWs) bands (ev): -30.9006 -30.9006 -12.2281 -12.2281 -11.8824 -11.8824 -11.8119 -11.8119 0.3070 0.3070 2.0427 2.0427 4.6010 4.6010 4.9402 4.9402 6.6458 6.6458 6.8531 6.8531 7.3683 7.3683 7.4516 7.4516 7.4775 7.4775 7.5522 7.5522 7.7148 7.7148 8.2439 8.2439 8.2769 8.2769 8.3935 8.3935 9.1004 9.1004 9.1574 9.1574 9.3078 9.3078 12.1377 12.1377 14.0073 14.0073 k =-0.0418 0.0723 0.9990 ( 2952 PWs) bands (ev): -30.9006 -30.9006 -12.2279 -12.2279 -11.8821 -11.8821 -11.8120 -11.8120 0.3077 0.3077 2.0130 2.0130 4.6115 4.6115 4.9699 4.9699 6.6145 6.6145 6.8584 6.8584 7.3695 7.3695 7.4520 7.4520 7.4785 7.4785 7.5539 7.5539 7.7128 7.7128 8.2298 8.2298 8.2763 8.2763 8.4187 8.4187 9.1306 9.1306 9.1580 9.1580 9.3213 9.3213 12.1372 12.1372 14.0219 14.0219 k =-0.0501 0.0867 0.9990 ( 2944 PWs) bands (ev): -30.9006 -30.9006 -12.2277 -12.2277 -11.8817 -11.8817 -11.8120 -11.8120 0.3085 0.3085 1.9778 1.9778 4.6244 4.6244 5.0050 5.0050 6.5798 6.5798 6.8624 6.8624 7.3705 7.3705 7.4527 7.4527 7.4795 7.4795 7.5562 7.5562 7.7103 7.7103 8.2135 8.2135 8.2755 8.2755 8.4497 8.4497 9.1562 9.1562 9.1684 9.1684 9.3382 9.3382 12.1367 12.1367 14.0358 14.0358 k =-0.0585 0.1012 0.9990 ( 2948 PWs) bands (ev): -30.9007 -30.9007 -12.2274 -12.2274 -11.8813 -11.8813 -11.8120 -11.8120 0.3094 0.3094 1.9376 1.9376 4.6397 4.6397 5.0450 5.0450 6.5424 6.5424 6.8650 6.8650 7.3711 7.3711 7.4538 7.4538 7.4805 7.4805 7.5590 7.5590 7.7074 7.7074 8.1957 8.1957 8.2745 8.2745 8.4859 8.4859 9.1580 9.1580 9.2071 9.2071 9.3583 9.3583 12.1362 12.1362 14.0465 14.0465 k =-0.0669 0.1156 0.9990 ( 2956 PWs) bands (ev): -30.9008 -30.9008 -12.2272 -12.2272 -11.8808 -11.8808 -11.8121 -11.8121 0.3103 0.3103 1.8929 1.8929 4.6572 4.6572 5.0891 5.0891 6.5028 6.5028 6.8663 6.8663 7.3709 7.3709 7.4553 7.4553 7.4816 7.4816 7.5625 7.5625 7.7040 7.7040 8.1772 8.1772 8.2732 8.2732 8.5268 8.5268 9.1588 9.1588 9.2508 9.2508 9.3817 9.3817 12.1358 12.1358 14.0515 14.0515 k =-0.0752 0.1301 0.9990 ( 2956 PWs) bands (ev): -30.9008 -30.9008 -12.2268 -12.2268 -11.8803 -11.8803 -11.8122 -11.8122 0.3112 0.3112 1.8444 1.8444 4.6771 4.6771 5.1368 5.1368 6.4615 6.4615 6.8664 6.8664 7.3698 7.3698 7.4571 7.4571 7.4830 7.4830 7.5668 7.5668 7.7003 7.7003 8.1587 8.1587 8.2719 8.2719 8.5720 8.5720 9.1597 9.1597 9.2980 9.2980 9.4088 9.4088 12.1356 12.1356 14.0489 14.0489 k =-0.0836 0.1445 0.9990 ( 2960 PWs) bands (ev): -30.9009 -30.9009 -12.2264 -12.2264 -11.8797 -11.8797 -11.8123 -11.8123 0.3120 0.3120 1.7924 1.7924 4.6992 4.6992 5.1874 5.1874 6.4187 6.4187 6.8656 6.8656 7.3675 7.3675 7.4585 7.4585 7.4853 7.4853 7.5719 7.5719 7.6963 7.6963 8.1406 8.1406 8.2705 8.2705 8.6210 8.6210 9.1607 9.1607 9.3481 9.3481 9.4396 9.4396 12.1357 12.1357 14.0375 14.0375 k =-0.0836 0.1445 0.9990 ( 2960 PWs) bands (ev): -30.9009 -30.9009 -12.2264 -12.2264 -11.8797 -11.8797 -11.8123 -11.8123 0.3120 0.3120 1.7924 1.7924 4.6992 4.6992 5.1874 5.1874 6.4187 6.4187 6.8656 6.8656 7.3675 7.3675 7.4585 7.4585 7.4853 7.4853 7.5719 7.5719 7.6963 7.6963 8.1406 8.1406 8.2705 8.2705 8.6210 8.6210 9.1607 9.1607 9.3481 9.3481 9.4396 9.4396 12.1357 12.1357 14.0375 14.0375 k =-0.0899 0.1555 0.9863 ( 2959 PWs) bands (ev): -30.9010 -30.9010 -12.2261 -12.2261 -11.8792 -11.8792 -11.8123 -11.8123 0.3119 0.3119 1.7514 1.7514 4.7169 4.7169 5.2278 5.2278 6.3867 6.3867 6.8641 6.8641 7.3646 7.3646 7.4568 7.4568 7.4891 7.4891 7.5780 7.5780 7.6934 7.6934 8.1275 8.1275 8.2688 8.2688 8.6607 8.6607 9.1631 9.1631 9.3855 9.3855 9.4669 9.4669 12.1380 12.1380 14.0219 14.0220 k =-0.0962 0.1664 0.9737 ( 2961 PWs) bands (ev): -30.9011 -30.9011 -12.2258 -12.2258 -11.8786 -11.8786 -11.8124 -11.8124 0.3104 0.3104 1.7094 1.7094 4.7344 4.7344 5.2702 5.2702 6.3561 6.3561 6.8616 6.8616 7.3606 7.3606 7.4528 7.4528 7.4934 7.4934 7.5877 7.5877 7.6909 7.6909 8.1148 8.1148 8.2663 8.2663 8.7020 8.7020 9.1688 9.1688 9.4185 9.4185 9.5010 9.5010 12.1448 12.1448 13.9943 13.9944 k =-0.1025 0.1773 0.9611 ( 2955 PWs) bands (ev): -30.9011 -30.9011 -12.2254 -12.2254 -11.8780 -11.8780 -11.8124 -11.8124 0.3076 0.3076 1.6667 1.6667 4.7514 4.7514 5.3144 5.3144 6.3278 6.3278 6.8581 6.8581 7.3558 7.3558 7.4484 7.4484 7.4962 7.4962 7.6005 7.6005 7.6889 7.6889 8.1030 8.1030 8.2631 8.2631 8.7438 8.7438 9.1787 9.1787 9.4466 9.4466 9.5425 9.5425 12.1559 12.1559 13.9511 13.9511 k =-0.1088 0.1882 0.9485 ( 2953 PWs) bands (ev): -30.9012 -30.9012 -12.2249 -12.2249 -11.8773 -11.8773 -11.8124 -11.8124 0.3036 0.3036 1.6234 1.6234 4.7673 4.7673 5.3600 5.3600 6.3021 6.3021 6.8537 6.8537 7.3503 7.3503 7.4442 7.4442 7.4976 7.4976 7.6149 7.6149 7.6879 7.6879 8.0920 8.0920 8.2595 8.2595 8.7846 8.7846 9.1935 9.1935 9.4709 9.4709 9.5903 9.5903 12.1714 12.1714 13.9000 13.9000 k =-0.1151 0.1991 0.9359 ( 2947 PWs) bands (ev): -30.9013 -30.9013 -12.2245 -12.2245 -11.8765 -11.8765 -11.8124 -11.8124 0.2985 0.2985 1.5800 1.5800 4.7818 4.7818 5.4068 5.4068 6.2797 6.2797 6.8484 6.8484 7.3442 7.3442 7.4404 7.4404 7.4980 7.4980 7.6294 7.6294 7.6884 7.6884 8.0819 8.0819 8.2557 8.2557 8.8233 8.8233 9.2142 9.2142 9.4930 9.4930 9.6433 9.6433 12.1911 12.1911 13.8459 13.8459 k =-0.1214 0.2100 0.9233 ( 2945 PWs) bands (ev): -30.9014 -30.9014 -12.2240 -12.2240 -11.8758 -11.8758 -11.8124 -11.8124 0.2924 0.2924 1.5365 1.5365 4.7942 4.7942 5.4542 5.4542 6.2609 6.2609 6.8423 6.8423 7.3377 7.3377 7.4368 7.4368 7.4978 7.4978 7.6420 7.6420 7.6921 7.6921 8.0729 8.0729 8.2514 8.2514 8.8589 8.8589 9.2414 9.2414 9.5136 9.5136 9.7007 9.7007 12.2149 12.2149 13.7911 13.7911 k =-0.1277 0.2209 0.9107 ( 2953 PWs) bands (ev): -30.9015 -30.9015 -12.2236 -12.2236 -11.8750 -11.8750 -11.8124 -11.8124 0.2853 0.2853 1.4933 1.4933 4.8043 4.8043 5.5022 5.5022 6.2461 6.2461 6.8354 6.8354 7.3304 7.3304 7.4334 7.4334 7.4977 7.4977 7.6501 7.6501 7.7009 7.7009 8.0648 8.0648 8.2468 8.2468 8.8908 8.8908 9.2751 9.2751 9.5331 9.5331 9.7622 9.7622 12.2428 12.2428 13.7368 13.7368 k =-0.1340 0.2318 0.8981 ( 2954 PWs) bands (ev): -30.9016 -30.9016 -12.2231 -12.2231 -11.8742 -11.8742 -11.8123 -11.8123 0.2775 0.2775 1.4504 1.4504 4.8118 4.8118 5.5504 5.5504 6.2356 6.2356 6.8278 6.8278 7.3224 7.3224 7.4302 7.4302 7.4981 7.4981 7.6532 7.6532 7.7151 7.7151 8.0578 8.0578 8.2419 8.2419 8.9195 8.9195 9.3153 9.3153 9.5520 9.5520 9.8278 9.8278 12.2746 12.2746 13.6838 13.6838 k =-0.1404 0.2428 0.8855 ( 2954 PWs) bands (ev): -30.9017 -30.9017 -12.2226 -12.2226 -11.8734 -11.8734 -11.8122 -11.8122 0.2690 0.2690 1.4082 1.4082 4.8163 4.8163 5.5987 5.5987 6.2294 6.2294 6.8198 6.8198 7.3135 7.3135 7.4269 7.4269 7.4993 7.4993 7.6532 7.6532 7.7326 7.7326 8.0517 8.0517 8.2367 8.2367 8.9455 8.9455 9.3610 9.3610 9.5702 9.5702 9.8975 9.8975 12.3102 12.3102 13.6327 13.6328 k =-0.1467 0.2537 0.8729 ( 2958 PWs) bands (ev): -30.9019 -30.9019 -12.2221 -12.2221 -11.8725 -11.8725 -11.8121 -11.8121 0.2599 0.2599 1.3667 1.3667 4.8177 4.8177 5.6467 5.6467 6.2274 6.2274 6.8112 6.8112 7.3034 7.3034 7.4238 7.4238 7.5017 7.5017 7.6515 7.6515 7.7517 7.7517 8.0465 8.0465 8.2309 8.2309 8.9699 8.9699 9.4109 9.4109 9.5879 9.5879 9.9716 9.9716 12.3495 12.3495 13.5840 13.5840 k =-0.1530 0.2646 0.8603 ( 2956 PWs) bands (ev): -30.9020 -30.9020 -12.2216 -12.2216 -11.8717 -11.8717 -11.8120 -11.8120 0.2503 0.2503 1.3261 1.3261 4.8161 4.8161 5.6944 5.6944 6.2297 6.2297 6.8024 6.8024 7.2920 7.2920 7.4209 7.4209 7.5054 7.5054 7.6490 7.6490 7.7715 7.7715 8.0420 8.0420 8.2247 8.2247 8.9938 8.9938 9.4637 9.4637 9.6053 9.6053 10.0501 10.0501 12.3923 12.3923 13.5380 13.5380 k =-0.1593 0.2755 0.8477 ( 2958 PWs) bands (ev): -30.9021 -30.9021 -12.2211 -12.2211 -11.8709 -11.8709 -11.8118 -11.8118 0.2404 0.2404 1.2866 1.2866 4.8115 4.8115 5.7416 5.7416 6.2356 6.2356 6.7935 6.7935 7.2790 7.2790 7.4185 7.4185 7.5105 7.5105 7.6461 7.6461 7.7913 7.7913 8.0383 8.0383 8.2180 8.2180 9.0180 9.0180 9.5177 9.5177 9.6229 9.6229 10.1331 10.1331 12.4384 12.4384 13.4948 13.4948 k =-0.1656 0.2864 0.8351 ( 2962 PWs) bands (ev): -30.9022 -30.9022 -12.2206 -12.2206 -11.8701 -11.8701 -11.8116 -11.8116 0.2302 0.2302 1.2482 1.2482 4.8043 4.8043 5.7880 5.7880 6.2449 6.2449 6.7845 6.7845 7.2646 7.2646 7.4166 7.4166 7.5169 7.5169 7.6431 7.6431 7.8107 7.8107 8.0351 8.0351 8.2106 8.2106 9.0437 9.0437 9.5704 9.5704 9.6422 9.6422 10.2206 10.2206 12.4878 12.4878 13.4546 13.4546 k =-0.1719 0.2973 0.8225 ( 2960 PWs) bands (ev): -30.9023 -30.9023 -12.2201 -12.2201 -11.8693 -11.8693 -11.8113 -11.8113 0.2198 0.2198 1.2111 1.2111 4.7946 4.7946 5.8336 5.8336 6.2571 6.2571 6.7757 6.7757 7.2486 7.2486 7.4155 7.4155 7.5243 7.5243 7.6402 7.6402 7.8293 7.8293 8.0326 8.0326 8.2026 8.2026 9.0715 9.0715 9.6158 9.6158 9.6685 9.6685 10.3127 10.3127 12.5402 12.5402 13.4174 13.4174 k =-0.1782 0.3082 0.8099 ( 2964 PWs) bands (ev): -30.9025 -30.9025 -12.2197 -12.2197 -11.8685 -11.8685 -11.8111 -11.8111 0.2094 0.2094 1.1754 1.1754 4.7828 4.7828 5.8782 5.8782 6.2714 6.2714 6.7673 6.7673 7.2311 7.2311 7.4152 7.4152 7.5326 7.5326 7.6375 7.6375 7.8469 7.8469 8.0306 8.0306 8.1939 8.1939 9.1019 9.1019 9.6450 9.6450 9.7097 9.7097 10.4093 10.4093 12.5955 12.5955 13.3829 13.3829 k =-0.1845 0.3192 0.7973 ( 2967 PWs) bands (ev): -30.9026 -30.9026 -12.2192 -12.2192 -11.8678 -11.8678 -11.8108 -11.8108 0.1991 0.1991 1.1412 1.1412 4.7693 4.7693 5.9218 5.9218 6.2873 6.2873 6.7593 6.7593 7.2124 7.2124 7.4156 7.4156 7.5414 7.5414 7.6355 7.6355 7.8631 7.8631 8.0292 8.0292 8.1845 8.1845 9.1357 9.1357 9.6633 9.6633 9.7600 9.7600 10.5103 10.5103 12.6536 12.6536 13.3506 13.3506 k =-0.1908 0.3301 0.7847 ( 2969 PWs) bands (ev): -30.9027 -30.9027 -12.2188 -12.2188 -11.8671 -11.8671 -11.8104 -11.8104 0.1888 0.1888 1.1085 1.1085 4.7545 4.7545 5.9642 5.9642 6.3041 6.3041 6.7521 6.7521 7.1926 7.1926 7.4169 7.4169 7.5502 7.5502 7.6345 7.6345 7.8775 7.8775 8.0284 8.0284 8.1742 8.1742 9.1729 9.1729 9.6776 9.6776 9.8119 9.8119 10.6157 10.6157 12.7143 12.7143 13.3191 13.3191 k =-0.1971 0.3410 0.7720 ( 2968 PWs) bands (ev): -30.9028 -30.9028 -12.2184 -12.2184 -11.8665 -11.8665 -11.8100 -11.8100 0.1788 0.1788 1.0775 1.0775 4.7389 4.7389 6.0054 6.0054 6.3213 6.3213 6.7458 6.7458 7.1720 7.1720 7.4190 7.4190 7.5584 7.5584 7.6352 7.6352 7.8899 7.8899 8.0285 8.0285 8.1633 8.1633 9.2139 9.2139 9.6901 9.6901 9.8626 9.8626 10.7253 10.7253 12.7774 12.7774 13.2864 13.2864 k =-0.2034 0.3519 0.7594 ( 2962 PWs) bands (ev): -30.9029 -30.9029 -12.2179 -12.2179 -11.8658 -11.8658 -11.8096 -11.8096 0.1691 0.1691 1.0482 1.0482 4.7226 4.7226 6.0454 6.0454 6.3382 6.3382 6.7405 6.7405 7.1507 7.1507 7.4218 7.4218 7.5650 7.5650 7.6383 7.6383 7.9002 7.9002 8.0292 8.0292 8.1518 8.1518 9.2587 9.2587 9.7013 9.7013 9.9109 9.9109 10.8389 10.8389 12.8429 12.8429 13.2494 13.2494 k =-0.2098 0.3628 0.7468 ( 2960 PWs) bands (ev): -30.9030 -30.9030 -12.2176 -12.2176 -11.8653 -11.8653 -11.8092 -11.8092 0.1597 0.1597 1.0207 1.0207 4.7062 4.7062 6.0839 6.0839 6.3545 6.3545 6.7363 6.7363 7.1289 7.1289 7.4251 7.4251 7.5694 7.5694 7.6444 7.6444 7.9082 7.9082 8.0306 8.0306 8.1395 8.1395 9.3072 9.3072 9.7116 9.7116 9.9562 9.9562 10.9562 10.9562 12.9105 12.9105 13.2056 13.2056 k =-0.2161 0.3737 0.7342 ( 2960 PWs) bands (ev): -30.9031 -30.9031 -12.2172 -12.2172 -11.8648 -11.8648 -11.8087 -11.8087 0.1507 0.1507 0.9950 0.9950 4.6899 4.6899 6.1209 6.1209 6.3695 6.3695 6.7333 6.7333 7.1069 7.1069 7.4291 7.4291 7.5714 7.5714 7.6536 7.6536 7.9141 7.9141 8.0326 8.0326 8.1267 8.1267 9.3593 9.3593 9.7211 9.7211 9.9977 9.9977 11.0770 11.0770 12.9800 12.9800 13.1549 13.1549 k =-0.2224 0.3846 0.7216 ( 2956 PWs) bands (ev): -30.9032 -30.9032 -12.2169 -12.2169 -11.8643 -11.8643 -11.8083 -11.8083 0.1422 0.1422 0.9712 0.9712 4.6740 4.6740 6.1564 6.1564 6.3831 6.3831 6.7317 6.7317 7.0848 7.0848 7.4334 7.4334 7.5713 7.5713 7.6656 7.6656 7.9180 7.9180 8.0349 8.0349 8.1135 8.1135 9.4145 9.4145 9.7298 9.7298 10.0349 10.0349 11.2009 11.2009 13.0511 13.0511 13.0992 13.0992 k =-0.2287 0.3955 0.7090 ( 2952 PWs) bands (ev): -30.9033 -30.9033 -12.2166 -12.2166 -11.8638 -11.8638 -11.8078 -11.8078 0.1343 0.1343 0.9493 0.9493 4.6587 4.6587 6.1901 6.1901 6.3951 6.3951 6.7313 6.7313 7.0629 7.0629 7.4381 7.4381 7.5698 7.5698 7.6794 7.6794 7.9202 7.9202 8.0368 8.0368 8.1004 8.1004 9.4724 9.4724 9.7378 9.7378 10.0673 10.0673 11.3275 11.3275 13.0396 13.0396 13.1246 13.1246 k =-0.2350 0.4065 0.6964 ( 2952 PWs) bands (ev): -30.9034 -30.9034 -12.2163 -12.2163 -11.8635 -11.8635 -11.8074 -11.8074 0.1270 0.1270 0.9294 0.9294 4.6443 4.6443 6.2219 6.2219 6.4054 6.4054 6.7320 6.7320 7.0414 7.0414 7.4431 7.4431 7.5673 7.5673 7.6947 7.6947 7.9212 7.9212 8.0375 8.0375 8.0881 8.0881 9.5324 9.5324 9.7451 9.7451 10.0945 10.0945 11.4564 11.4564 12.9796 12.9796 13.1987 13.1987 k =-0.2413 0.4174 0.6838 ( 2946 PWs) bands (ev): -30.9035 -30.9035 -12.2160 -12.2160 -11.8631 -11.8631 -11.8070 -11.8070 0.1203 0.1203 0.9115 0.9115 4.6309 4.6309 6.2516 6.2516 6.4140 6.4140 6.7337 6.7337 7.0205 7.0205 7.4483 7.4483 7.5641 7.5641 7.7108 7.7108 7.9212 7.9212 8.0356 8.0356 8.0779 8.0779 9.5935 9.5935 9.7521 9.7521 10.1159 10.1159 11.5868 11.5868 12.9201 12.9201 13.2736 13.2736 k =-0.2476 0.4283 0.6712 ( 2943 PWs) bands (ev): -30.9035 -30.9035 -12.2158 -12.2158 -11.8628 -11.8628 -11.8066 -11.8066 0.1143 0.1143 0.8957 0.8957 4.6188 4.6188 6.2790 6.2790 6.4210 6.4210 6.7360 6.7360 7.0007 7.0007 7.4536 7.4536 7.5606 7.5606 7.7275 7.7275 7.9206 7.9206 8.0293 8.0293 8.0715 8.0715 9.6544 9.6544 9.7592 9.7592 10.1312 10.1312 11.7180 11.7180 12.8628 12.8628 13.3480 13.3480 k =-0.2539 0.4392 0.6586 ( 2945 PWs) bands (ev): -30.9036 -30.9036 -12.2156 -12.2156 -11.8626 -11.8626 -11.8062 -11.8062 0.1090 0.1090 0.8819 0.8819 4.6080 4.6080 6.3038 6.3038 6.4267 6.4267 6.7389 6.7389 6.9820 6.9820 7.4588 7.4588 7.5568 7.5568 7.7442 7.7442 7.9195 7.9195 8.0188 8.0188 8.0689 8.0689 9.7116 9.7116 9.7691 9.7691 10.1399 10.1399 11.8488 11.8488 12.8091 12.8091 13.4043 13.4044 k =-0.2602 0.4501 0.6460 ( 2941 PWs) bands (ev): -30.9036 -30.9036 -12.2155 -12.2155 -11.8624 -11.8624 -11.8059 -11.8059 0.1045 0.1045 0.8702 0.8702 4.5986 4.5986 6.3256 6.3256 6.4313 6.4313 6.7419 6.7419 6.9651 6.9651 7.4639 7.4639 7.5530 7.5530 7.7606 7.7606 7.9184 7.9184 8.0060 8.0060 8.0685 8.0685 9.7491 9.7491 9.7968 9.7968 10.1418 10.1418 11.9776 11.9776 12.7607 12.7607 13.4239 13.4239 k =-0.2665 0.4610 0.6334 ( 2942 PWs) bands (ev): -30.9037 -30.9037 -12.2153 -12.2153 -11.8623 -11.8623 -11.8057 -11.8057 0.1008 0.1008 0.8605 0.8605 4.5909 4.5909 6.3441 6.3441 6.4350 6.4350 6.7448 6.7448 6.9503 6.9503 7.4685 7.4685 7.5495 7.5495 7.7762 7.7762 7.9173 7.9173 7.9926 7.9926 8.0689 8.0689 9.7605 9.7605 9.8476 9.8476 10.1365 10.1365 12.1018 12.1018 12.7188 12.7188 13.4409 13.4410 k =-0.2729 0.4719 0.6208 ( 2948 PWs) bands (ev): -30.9037 -30.9037 -12.2152 -12.2152 -11.8622 -11.8622 -11.8055 -11.8055 0.0979 0.0979 0.8530 0.8530 4.5847 4.5847 6.3589 6.3589 6.4379 6.4379 6.7473 6.7473 6.9379 6.9379 7.4725 7.4725 7.5463 7.5463 7.7902 7.7902 7.9163 7.9163 7.9799 7.9799 8.0695 8.0695 9.7652 9.7652 9.9012 9.9012 10.1240 10.1240 12.2170 12.2170 12.6848 12.6848 13.4054 13.4054 k =-0.2792 0.4829 0.6082 ( 2954 PWs) bands (ev): -30.9038 -30.9038 -12.2152 -12.2152 -11.8621 -11.8621 -11.8053 -11.8053 0.0958 0.0958 0.8477 0.8477 4.5803 4.5803 6.3697 6.3697 6.4400 6.4400 6.7492 6.7492 6.9286 6.9286 7.4757 7.4757 7.5438 7.5438 7.8017 7.8017 7.9155 7.9155 7.9691 7.9691 8.0701 8.0701 9.7679 9.7679 9.9517 9.9517 10.1043 10.1043 12.3158 12.3158 12.6601 12.6601 13.3144 13.3144 k =-0.2855 0.4938 0.5956 ( 2958 PWs) bands (ev): -30.9038 -30.9038 -12.2152 -12.2152 -11.8621 -11.8621 -11.8053 -11.8053 0.0945 0.0945 0.8445 0.8445 4.5776 4.5776 6.3763 6.3763 6.4414 6.4414 6.7505 6.7505 6.9227 6.9227 7.4777 7.4777 7.5422 7.5422 7.8093 7.8093 7.9151 7.9151 7.9618 7.9618 8.0704 8.0704 9.7693 9.7693 9.9965 9.9965 10.0785 10.0785 12.3857 12.3857 12.6455 12.6455 13.2468 13.2468 k =-0.2918 0.5047 0.5830 ( 2960 PWs) bands (ev): -30.9038 -30.9038 -12.2152 -12.2152 -11.8621 -11.8621 -11.8052 -11.8052 0.0941 0.0941 0.8434 0.8434 4.5767 4.5767 6.3786 6.3786 6.4419 6.4419 6.7509 6.7509 6.9206 6.9206 7.4783 7.4783 7.5418 7.5418 7.8117 7.8117 7.9150 7.9150 7.9595 7.9595 8.0706 8.0706 9.7698 9.7698 10.0248 10.0248 10.0567 10.0567 12.4117 12.4117 12.6408 12.6408 13.2212 13.2212 k =-0.2918 0.5047 0.5830 ( 2960 PWs) bands (ev): -30.9038 -30.9038 -12.2152 -12.2152 -11.8621 -11.8621 -11.8052 -11.8052 0.0941 0.0941 0.8434 0.8434 4.5767 4.5767 6.3786 6.3786 6.4419 6.4419 6.7509 6.7509 6.9206 6.9206 7.4783 7.4783 7.5418 7.5418 7.8117 7.8117 7.9150 7.9150 7.9595 7.9595 8.0706 8.0706 9.7698 9.7698 10.0248 10.0248 10.0567 10.0567 12.4117 12.4117 12.6408 12.6408 13.2212 13.2212 k =-0.2853 0.4935 0.5700 ( 2960 PWs) bands (ev): -30.9037 -30.9037 -12.2156 -12.2156 -11.8627 -11.8627 -11.8050 -11.8050 0.0725 0.0725 0.9041 0.9041 4.5566 4.5566 6.3703 6.3703 6.4404 6.4404 6.7342 6.7342 6.9338 6.9338 7.4790 7.4790 7.5623 7.5623 7.8011 7.8011 7.9066 7.9066 7.9357 7.9357 8.0671 8.0671 9.6914 9.6914 9.9714 9.9714 10.0769 10.0769 12.3086 12.3086 12.7191 12.7191 13.1905 13.1905 k =-0.2788 0.4822 0.5570 ( 2956 PWs) bands (ev): -30.9037 -30.9037 -12.2160 -12.2160 -11.8632 -11.8632 -11.8047 -11.8047 0.0474 0.0474 0.9653 0.9653 4.5424 4.5424 6.3628 6.3628 6.4362 6.4362 6.7183 6.7183 6.9475 6.9475 7.4756 7.4756 7.5851 7.5851 7.7907 7.7907 7.9007 7.9007 7.9131 7.9131 8.0656 8.0656 9.6149 9.6149 9.9155 9.9155 10.1029 10.1029 12.2048 12.2048 12.7993 12.7993 13.1625 13.1625 k =-0.2723 0.4710 0.5441 ( 2956 PWs) bands (ev): -30.9036 -30.9036 -12.2163 -12.2163 -11.8637 -11.8637 -11.8045 -11.8045 0.0190 0.0190 1.0268 1.0268 4.5340 4.5340 6.3562 6.3562 6.4291 6.4291 6.7031 6.7031 6.9616 6.9616 7.4691 7.4691 7.6087 7.6087 7.7802 7.7802 7.8928 7.8928 7.8973 7.8973 8.0658 8.0658 9.5406 9.5406 9.8625 9.8625 10.1297 10.1297 12.1011 12.1011 12.8805 12.8805 13.1373 13.1373 k =-0.2658 0.4598 0.5311 ( 2956 PWs) bands (ev): -30.9036 -30.9036 -12.2165 -12.2165 -11.8640 -11.8640 -11.8043 -11.8043 -0.0126 -0.0126 1.0883 1.0883 4.5315 4.5315 6.3503 6.3503 6.4193 6.4193 6.6886 6.6886 6.9762 6.9762 7.4600 7.4600 7.6326 7.6326 7.7689 7.7689 7.8758 7.8758 7.8965 7.8965 8.0678 8.0678 9.4683 9.4683 9.8129 9.8129 10.1569 10.1569 11.9978 11.9978 12.9618 12.9618 13.1149 13.1149 k =-0.2594 0.4486 0.5182 ( 2956 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8642 -11.8642 -11.8041 -11.8041 -0.0473 -0.0473 1.1497 1.1497 4.5345 4.5345 6.3446 6.3446 6.4076 6.4076 6.6748 6.6748 6.9912 6.9912 7.4490 7.4490 7.6560 7.6560 7.7562 7.7562 7.8633 7.8633 7.8981 7.8981 8.0714 8.0714 9.3979 9.3979 9.7669 9.7669 10.1844 10.1844 11.8953 11.8953 13.0424 13.0424 13.0956 13.0956 k =-0.2529 0.4374 0.5052 ( 2952 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8039 -11.8039 -0.0848 -0.0848 1.2109 1.2109 4.5427 4.5427 6.3377 6.3377 6.3956 6.3956 6.6619 6.6619 7.0068 7.0068 7.4363 7.4363 7.6771 7.6771 7.7431 7.7431 7.8563 7.8563 7.9020 7.9020 8.0765 8.0765 9.3298 9.3298 9.7243 9.7243 10.2124 10.2124 11.7935 11.7935 13.0765 13.0765 13.1244 13.1244 k =-0.2464 0.4262 0.4923 ( 2946 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8038 -11.8038 -0.1250 -0.1250 1.2716 1.2716 4.5559 4.5559 6.3269 6.3269 6.3864 6.3864 6.6497 6.6497 7.0227 7.0227 7.4225 7.4225 7.6888 7.6888 7.7367 7.7367 7.8548 7.8548 7.9078 7.9078 8.0830 8.0830 9.2636 9.2636 9.6853 9.6853 10.2410 10.2410 11.6927 11.6927 13.0627 13.0627 13.2017 13.2017 k =-0.2399 0.4150 0.4793 ( 2950 PWs) bands (ev): -30.9036 -30.9036 -12.2165 -12.2165 -11.8641 -11.8641 -11.8037 -11.8037 -0.1677 -0.1677 1.3317 1.3317 4.5736 4.5736 6.3099 6.3099 6.3828 6.3828 6.6383 6.6383 7.0390 7.0390 7.4076 7.4076 7.6806 7.6806 7.7478 7.7478 7.8583 7.8583 7.9154 7.9154 8.0909 8.0909 9.1995 9.1995 9.6498 9.6498 10.2702 10.2702 11.5928 11.5928 13.0510 13.0510 13.2757 13.2757 k =-0.2334 0.4037 0.4664 ( 2950 PWs) bands (ev): -30.9036 -30.9036 -12.2162 -12.2162 -11.8639 -11.8639 -11.8037 -11.8037 -0.2125 -0.2125 1.3909 1.3909 4.5953 4.5953 6.2872 6.2872 6.3852 6.3852 6.6277 6.6277 7.0558 7.0558 7.3922 7.3922 7.6613 7.6613 7.7683 7.7683 7.8659 7.8659 7.9245 7.9245 8.1000 8.1000 9.1375 9.1375 9.6177 9.6177 10.3003 10.3003 11.4940 11.4940 13.0418 13.0418 13.3429 13.3429 k =-0.2269 0.3925 0.4534 ( 2944 PWs) bands (ev): -30.9036 -30.9036 -12.2159 -12.2159 -11.8635 -11.8635 -11.8036 -11.8036 -0.2592 -0.2592 1.4490 1.4490 4.6205 4.6205 6.2607 6.2607 6.3923 6.3923 6.6180 6.6180 7.0729 7.0729 7.3766 7.3766 7.6385 7.6385 7.7910 7.7910 7.8772 7.8772 7.9350 7.9350 8.1106 8.1106 9.0774 9.0774 9.5890 9.5890 10.3311 10.3311 11.3964 11.3964 13.0352 13.0352 13.3982 13.3982 k =-0.2205 0.3813 0.4405 ( 2942 PWs) bands (ev): -30.9037 -30.9037 -12.2155 -12.2155 -11.8630 -11.8630 -11.8036 -11.8036 -0.3076 -0.3076 1.5059 1.5059 4.6486 4.6486 6.2319 6.2319 6.4034 6.4034 6.6090 6.6090 7.0904 7.0904 7.3608 7.3608 7.6143 7.6143 7.8141 7.8141 7.8915 7.8915 7.9466 7.9466 8.1222 8.1222 9.0194 9.0194 9.5638 9.5638 10.3628 10.3628 11.2999 11.2999 13.0310 13.0310 13.4328 13.4328 k =-0.2140 0.3701 0.4275 ( 2942 PWs) bands (ev): -30.9037 -30.9037 -12.2151 -12.2151 -11.8623 -11.8623 -11.8036 -11.8036 -0.3573 -0.3573 1.5614 1.5614 4.6788 4.6788 6.2020 6.2020 6.4183 6.4183 6.6008 6.6008 7.1082 7.1082 7.3452 7.3452 7.5894 7.5894 7.8371 7.8371 7.9084 7.9084 7.9593 7.9593 8.1349 8.1349 8.9635 8.9635 9.5418 9.5418 10.3955 10.3955 11.2047 11.2047 13.0294 13.0294 13.4381 13.4381 k =-0.2075 0.3589 0.4145 ( 2944 PWs) bands (ev): -30.9038 -30.9038 -12.2145 -12.2145 -11.8616 -11.8616 -11.8037 -11.8037 -0.4080 -0.4080 1.6152 1.6152 4.7105 4.7105 6.1721 6.1721 6.4368 6.4368 6.5934 6.5934 7.1262 7.1262 7.3300 7.3300 7.5641 7.5641 7.8598 7.8598 7.9273 7.9273 7.9729 7.9729 8.1487 8.1487 8.9095 8.9095 9.5232 9.5232 10.4291 10.4291 11.1108 11.1108 13.0302 13.0302 13.4136 13.4136 k =-0.2010 0.3477 0.4016 ( 2944 PWs) bands (ev): -30.9039 -30.9039 -12.2139 -12.2139 -11.8608 -11.8608 -11.8038 -11.8038 -0.4596 -0.4596 1.6672 1.6672 4.7427 4.7427 6.1431 6.1431 6.4589 6.4589 6.5870 6.5870 7.1444 7.1444 7.3152 7.3152 7.5388 7.5388 7.8823 7.8823 7.9479 7.9479 7.9873 7.9873 8.1633 8.1633 8.8577 8.8577 9.5080 9.5080 10.4639 10.4639 11.0182 11.0182 13.0333 13.0333 13.3673 13.3673 k =-0.1945 0.3365 0.3886 ( 2940 PWs) bands (ev): -30.9040 -30.9040 -12.2132 -12.2132 -11.8599 -11.8599 -11.8039 -11.8039 -0.5116 -0.5116 1.7173 1.7173 4.7747 4.7747 6.1160 6.1160 6.4845 6.4845 6.5816 6.5816 7.1625 7.1625 7.3012 7.3012 7.5138 7.5138 7.9045 7.9045 7.9697 7.9697 8.0024 8.0024 8.1788 8.1788 8.8081 8.8081 9.4964 9.4964 10.4998 10.4998 10.9270 10.9270 13.0388 13.0388 13.3074 13.3074 k =-0.1880 0.3252 0.3757 ( 2940 PWs) bands (ev): -30.9041 -30.9041 -12.2125 -12.2125 -11.8588 -11.8588 -11.8040 -11.8040 -0.5640 -0.5640 1.7652 1.7652 4.8055 4.8055 6.0916 6.0916 6.5130 6.5130 6.5777 6.5777 7.1804 7.1804 7.2883 7.2883 7.4888 7.4888 7.9265 7.9265 7.9920 7.9920 8.0184 8.0184 8.1950 8.1950 8.7607 8.7607 9.4881 9.4881 10.5369 10.5369 10.8372 10.8372 13.0465 13.0465 13.2392 13.2392 k =-0.1816 0.3140 0.3627 ( 2944 PWs) bands (ev): -30.9042 -30.9042 -12.2117 -12.2117 -11.8577 -11.8577 -11.8042 -11.8042 -0.6164 -0.6164 1.8109 1.8109 4.8340 4.8340 6.0711 6.0711 6.5416 6.5416 6.5782 6.5782 7.1975 7.1975 7.2770 7.2770 7.4641 7.4641 7.9483 7.9483 8.0142 8.0142 8.0354 8.0354 8.2118 8.2118 8.7157 8.7157 9.4834 9.4834 10.5749 10.5749 10.7490 10.7490 13.0564 13.0564 13.1662 13.1662 k =-0.1751 0.3028 0.3498 ( 2940 PWs) bands (ev): -30.9043 -30.9043 -12.2108 -12.2108 -11.8565 -11.8565 -11.8043 -11.8043 -0.6687 -0.6687 1.8543 1.8543 4.8594 4.8594 6.0552 6.0552 6.5568 6.5568 6.5965 6.5965 7.2122 7.2122 7.2689 7.2689 7.4399 7.4399 7.9700 7.9700 8.0355 8.0355 8.0540 8.0540 8.2291 8.2291 8.6731 8.6731 9.4825 9.4825 10.6127 10.6127 10.6637 10.6637 13.0668 13.0668 13.0919 13.0919 k =-0.1686 0.2916 0.3368 ( 2932 PWs) bands (ev): -30.9044 -30.9044 -12.2099 -12.2099 -11.8552 -11.8552 -11.8045 -11.8045 -0.7205 -0.7205 1.8953 1.8953 4.8808 4.8808 6.0448 6.0448 6.5580 6.5580 6.6333 6.6333 7.2208 7.2208 7.2676 7.2676 7.4164 7.4164 7.9914 7.9914 8.0552 8.0552 8.0748 8.0748 8.2467 8.2467 8.6332 8.6332 9.4855 9.4855 10.5742 10.5742 10.6573 10.6573 13.0111 13.0111 13.0843 13.0843 k =-0.1621 0.2804 0.3239 ( 2944 PWs) bands (ev): -30.9045 -30.9045 -12.2091 -12.2091 -11.8539 -11.8539 -11.8047 -11.8047 -0.7718 -0.7718 1.9337 1.9337 4.8973 4.8973 6.0403 6.0403 6.5566 6.5566 6.6766 6.6766 7.2203 7.2203 7.2755 7.2755 7.3939 7.3939 8.0122 8.0122 8.0735 8.0735 8.0971 8.0971 8.2643 8.2643 8.5960 8.5960 9.4926 9.4926 10.4908 10.4908 10.6984 10.6984 12.9332 12.9332 13.1002 13.1002 k =-0.1556 0.2692 0.3109 ( 2945 PWs) bands (ev): -30.9046 -30.9046 -12.2081 -12.2081 -11.8525 -11.8525 -11.8049 -11.8049 -0.8223 -0.8223 1.9696 1.9696 4.9086 4.9086 6.0423 6.0423 6.5552 6.5552 6.7238 6.7238 7.2147 7.2147 7.2882 7.2882 7.3734 7.3734 8.0324 8.0324 8.0909 8.0909 8.1203 8.1203 8.2819 8.2819 8.5620 8.5620 9.5041 9.5041 10.4084 10.4084 10.7414 10.7414 12.8552 12.8552 13.1186 13.1186 k =-0.1491 0.2579 0.2980 ( 2937 PWs) bands (ev): -30.9047 -30.9047 -12.2071 -12.2071 -11.8510 -11.8510 -11.8051 -11.8051 -0.8718 -0.8718 2.0031 2.0031 4.9143 4.9143 6.0508 6.0508 6.5541 6.5541 6.7741 6.7741 7.2078 7.2078 7.2989 7.2989 7.3580 7.3580 8.0515 8.0515 8.1084 8.1084 8.1438 8.1438 8.2994 8.2994 8.5315 8.5315 9.5200 9.5200 10.3273 10.3273 10.7858 10.7858 12.7779 12.7779 13.1389 13.1389 k =-0.1426 0.2467 0.2850 ( 2931 PWs) bands (ev): -30.9048 -30.9048 -12.2061 -12.2061 -11.8494 -11.8494 -11.8053 -11.8053 -0.9202 -0.9202 2.0339 2.0339 4.9146 4.9146 6.0655 6.0655 6.5534 6.5534 6.8268 6.8268 7.2011 7.2011 7.2987 7.2987 7.3551 7.3551 8.0691 8.0691 8.1259 8.1259 8.1673 8.1673 8.3164 8.3164 8.5047 8.5047 9.5408 9.5408 10.2477 10.2477 10.8313 10.8313 12.7017 12.7017 13.1612 13.1612 k =-0.1362 0.2355 0.2720 ( 2933 PWs) bands (ev): -30.9050 -30.9050 -12.2052 -12.2052 -11.8479 -11.8479 -11.8055 -11.8055 -0.9674 -0.9674 2.0624 2.0624 4.9099 4.9099 6.0858 6.0858 6.5532 6.5532 6.8809 6.8809 7.1956 7.1956 7.2860 7.2860 7.3656 7.3656 8.0848 8.0848 8.1438 8.1438 8.1906 8.1906 8.3328 8.3328 8.4824 8.4824 9.5665 9.5665 10.1696 10.1696 10.8779 10.8779 12.6272 12.6272 13.1852 13.1852 k =-0.1297 0.2243 0.2591 ( 2933 PWs) bands (ev): -30.9051 -30.9051 -12.2042 -12.2042 -11.8463 -11.8463 -11.8058 -11.8058 -1.0132 -1.0132 2.0883 2.0883 4.9007 4.9007 6.1110 6.1110 6.5535 6.5535 6.9352 6.9352 7.1922 7.1922 7.2685 7.2685 7.3819 7.3819 8.0980 8.0980 8.1622 8.1622 8.2138 8.2138 8.3485 8.3485 8.4649 8.4649 9.5973 9.5973 10.0930 10.0930 10.9256 10.9256 12.5545 12.5545 13.2108 13.2108 k =-0.1232 0.2131 0.2461 ( 2937 PWs) bands (ev): -30.9053 -30.9053 -12.2033 -12.2033 -11.8447 -11.8447 -11.8060 -11.8060 -1.0574 -1.0574 2.1120 2.1120 4.8877 4.8877 6.1400 6.1400 6.5541 6.5541 6.9873 6.9873 7.1922 7.1922 7.2501 7.2501 7.4001 7.4001 8.1083 8.1083 8.1811 8.1811 8.2367 8.2367 8.3634 8.3634 8.4530 8.4530 9.6333 9.6333 10.0180 10.0180 10.9742 10.9742 12.4840 12.4840 13.2381 13.2381 k =-0.1167 0.2019 0.2332 ( 2941 PWs) bands (ev): -30.9054 -30.9054 -12.2023 -12.2023 -11.8431 -11.8431 -11.8062 -11.8062 -1.1000 -1.1000 2.1334 2.1334 4.8717 4.8717 6.1721 6.1721 6.5552 6.5552 7.0333 7.0333 7.1976 7.1976 7.2336 7.2336 7.4190 7.4190 8.1157 8.1157 8.2004 8.2004 8.2594 8.2594 8.3777 8.3777 8.4467 8.4467 9.6745 9.6745 9.9445 9.9445 11.0237 11.0237 12.4159 12.4159 13.2668 13.2668 k =-0.1102 0.1907 0.2202 ( 2939 PWs) bands (ev): -30.9055 -30.9055 -12.2014 -12.2014 -11.8415 -11.8415 -11.8064 -11.8064 -1.1409 -1.1409 2.1526 2.1526 4.8534 4.8534 6.2063 6.2063 6.5568 6.5568 7.0675 7.0675 7.2012 7.2012 7.2311 7.2311 7.4381 7.4381 8.1201 8.1201 8.2200 8.2200 8.2819 8.2819 8.3917 8.3917 8.4463 8.4463 9.7208 9.7208 9.8729 9.8729 11.0739 11.0739 12.3504 12.3504 13.2969 13.2969 k =-0.1037 0.1794 0.2073 ( 2943 PWs) bands (ev): -30.9056 -30.9056 -12.2005 -12.2005 -11.8399 -11.8399 -11.8066 -11.8066 -1.1799 -1.1799 2.1699 2.1699 4.8335 4.8335 6.2418 6.2418 6.5587 6.5587 7.0870 7.0870 7.1887 7.1887 7.2592 7.2592 7.4572 7.4572 8.1221 8.1221 8.2396 8.2396 8.3041 8.3041 8.4061 8.4061 8.4512 8.4512 9.7688 9.7688 9.8063 9.8063 11.1246 11.1246 12.2876 12.2876 13.3282 13.3282 k =-0.0973 0.1682 0.1943 ( 2951 PWs) bands (ev): -30.9058 -30.9058 -12.1997 -12.1997 -11.8384 -11.8384 -11.8068 -11.8068 -1.2169 -1.2169 2.1852 2.1852 4.8126 4.8126 6.2776 6.2776 6.5608 6.5608 7.0950 7.0950 7.1730 7.1730 7.3006 7.3006 7.4764 7.4764 8.1223 8.1223 8.2591 8.2591 8.3259 8.3259 8.4215 8.4215 8.4607 8.4607 9.7307 9.7307 9.8324 9.8324 11.1757 11.1757 12.2276 12.2276 13.3604 13.3604 k =-0.0908 0.1570 0.1814 ( 2959 PWs) bands (ev): -30.9059 -30.9059 -12.1989 -12.1989 -11.8370 -11.8370 -11.8070 -11.8070 -1.2519 -1.2519 2.1988 2.1988 4.7913 4.7913 6.3133 6.3133 6.5633 6.5633 7.0965 7.0965 7.1577 7.1577 7.3457 7.3457 7.4957 7.4957 8.1217 8.1217 8.2781 8.2781 8.3468 8.3468 8.4383 8.4383 8.4749 8.4749 9.6642 9.6642 9.8931 9.8931 11.2269 11.2269 12.1706 12.1706 13.3935 13.3935 k =-0.0843 0.1458 0.1684 ( 2967 PWs) bands (ev): -30.9060 -30.9060 -12.1981 -12.1981 -11.8356 -11.8356 -11.8071 -11.8071 -1.2848 -1.2848 2.2107 2.2107 4.7699 4.7699 6.3482 6.3482 6.5660 6.5660 7.0942 7.0942 7.1439 7.1439 7.3894 7.3894 7.5153 7.5153 8.1208 8.1208 8.2965 8.2965 8.3663 8.3663 8.4566 8.4566 8.4942 8.4942 9.5985 9.5985 9.9587 9.9587 11.2780 11.2780 12.1166 12.1166 13.4271 13.4271 k =-0.0778 0.1346 0.1555 ( 2969 PWs) bands (ev): -30.9062 -30.9062 -12.1974 -12.1974 -11.8342 -11.8342 -11.8072 -11.8072 -1.3156 -1.3156 2.2212 2.2212 4.7491 4.7491 6.3819 6.3819 6.5689 6.5689 7.0893 7.0893 7.1321 7.1321 7.4290 7.4290 7.5352 7.5352 8.1203 8.1203 8.3139 8.3139 8.3835 8.3835 8.4765 8.4765 8.5191 8.5191 9.5344 9.5344 10.0282 10.0282 11.3287 11.3287 12.0656 12.0656 13.4610 13.4610 k =-0.0713 0.1234 0.1425 ( 2973 PWs) bands (ev): -30.9063 -30.9063 -12.1967 -12.1967 -11.8330 -11.8330 -11.8073 -11.8073 -1.3441 -1.3441 2.2303 2.2303 4.7289 4.7289 6.4139 6.4139 6.5720 6.5720 7.0822 7.0822 7.1228 7.1228 7.4627 7.4627 7.5558 7.5558 8.1207 8.1207 8.3300 8.3300 8.3979 8.3979 8.4986 8.4986 8.5495 8.5495 9.4717 9.4717 10.1008 10.1008 11.3786 11.3786 12.0178 12.0178 13.4947 13.4947 k =-0.0648 0.1122 0.1295 ( 2973 PWs) bands (ev): -30.9064 -30.9064 -12.1961 -12.1961 -11.8318 -11.8318 -11.8074 -11.8074 -1.3703 -1.3703 2.2381 2.2381 4.7097 4.7097 6.4439 6.4439 6.5751 6.5751 7.0733 7.0733 7.1160 7.1160 7.4902 7.4902 7.5765 7.5765 8.1221 8.1221 8.3448 8.3448 8.4094 8.4094 8.5233 8.5233 8.5844 8.5844 9.4106 9.4106 10.1756 10.1756 11.4272 11.4272 11.9731 11.9731 13.5278 13.5278 k =-0.0584 0.1009 0.1166 ( 2973 PWs) bands (ev): -30.9065 -30.9065 -12.1955 -12.1955 -11.8307 -11.8307 -11.8074 -11.8074 -1.3942 -1.3942 2.2449 2.2449 4.6918 4.6918 6.4717 6.4717 6.5783 6.5783 7.0636 7.0636 7.1109 7.1109 7.5119 7.5119 7.5965 7.5965 8.1243 8.1243 8.3582 8.3582 8.4183 8.4183 8.5507 8.5507 8.6230 8.6230 9.3510 9.3510 10.2515 10.2515 11.4741 11.4741 11.9316 11.9316 13.5596 13.5596 k =-0.0519 0.0897 0.1036 ( 2971 PWs) bands (ev): -30.9065 -30.9065 -12.1950 -12.1950 -11.8297 -11.8297 -11.8074 -11.8074 -1.4156 -1.4156 2.2506 2.2506 4.6754 4.6754 6.4969 6.4969 6.5814 6.5814 7.0538 7.0538 7.1071 7.1071 7.5290 7.5290 7.6148 7.6148 8.1273 8.1273 8.3701 8.3701 8.4251 8.4251 8.5804 8.5804 8.6638 8.6638 9.2930 9.2930 10.3274 10.3274 11.5186 11.5186 11.8935 11.8935 13.5889 13.5889 k =-0.0454 0.0785 0.0907 ( 2975 PWs) bands (ev): -30.9066 -30.9066 -12.1945 -12.1945 -11.8289 -11.8289 -11.8074 -11.8074 -1.4347 -1.4347 2.2554 2.2554 4.6605 4.6605 6.5195 6.5195 6.5844 6.5844 7.0444 7.0444 7.1042 7.1042 7.5424 7.5424 7.6307 7.6307 8.1308 8.1308 8.3804 8.3804 8.4303 8.4303 8.6122 8.6122 8.7055 8.7055 9.2367 9.2367 10.4018 10.4018 11.5601 11.5601 11.8588 11.8588 13.6138 13.6138 k =-0.0389 0.0673 0.0777 ( 2973 PWs) bands (ev): -30.9067 -30.9067 -12.1941 -12.1941 -11.8281 -11.8281 -11.8073 -11.8073 -1.4512 -1.4512 2.2593 2.2593 4.6474 4.6474 6.5392 6.5392 6.5873 6.5873 7.0359 7.0359 7.1019 7.1019 7.5531 7.5531 7.6439 7.6439 8.1345 8.1345 8.3893 8.3893 8.4342 8.4342 8.6458 8.6458 8.7462 8.7462 9.1819 9.1819 10.4731 10.4731 11.5975 11.5975 11.8280 11.8280 13.6304 13.6304 k =-0.0324 0.0561 0.0648 ( 2977 PWs) bands (ev): -30.9067 -30.9067 -12.1937 -12.1937 -11.8275 -11.8275 -11.8073 -11.8073 -1.4653 -1.4653 2.2625 2.2625 4.6361 4.6361 6.5559 6.5559 6.5899 6.5899 7.0283 7.0283 7.1001 7.1001 7.5615 7.5615 7.6545 7.6545 8.1380 8.1380 8.3967 8.3967 8.4372 8.4372 8.6812 8.6812 8.7844 8.7844 9.1287 9.1287 10.5393 10.5393 11.6298 11.6298 11.8015 11.8015 13.6305 13.6305 k =-0.0259 0.0449 0.0518 ( 2977 PWs) bands (ev): -30.9068 -30.9068 -12.1934 -12.1934 -11.8270 -11.8270 -11.8073 -11.8073 -1.4768 -1.4768 2.2651 2.2651 4.6268 4.6268 6.5695 6.5695 6.5924 6.5924 7.0220 7.0220 7.0986 7.0986 7.5680 7.5680 7.6628 7.6628 8.1412 8.1412 8.4028 8.4028 8.4394 8.4394 8.7183 8.7183 8.8183 8.8183 9.0773 9.0773 10.5982 10.5982 11.6555 11.6555 11.7806 11.7806 13.6082 13.6082 k =-0.0195 0.0336 0.0389 ( 2993 PWs) bands (ev): -30.9068 -30.9068 -12.1933 -12.1933 -11.8266 -11.8266 -11.8073 -11.8073 -1.4858 -1.4858 2.2670 2.2670 4.6195 4.6195 6.5797 6.5797 6.5949 6.5949 7.0168 7.0168 7.0975 7.0975 7.5726 7.5726 7.6688 7.6688 8.1438 8.1438 8.4074 8.4074 8.4410 8.4410 8.7567 8.7567 8.8464 8.8464 9.0276 9.0276 10.6475 10.6475 11.6727 11.6727 11.7669 11.7669 13.5743 13.5743 k =-0.0130 0.0224 0.0259 ( 2997 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8264 -11.8264 -11.8073 -11.8073 -1.4923 -1.4923 2.2683 2.2683 4.6142 4.6142 6.5862 6.5862 6.5974 6.5974 7.0130 7.0130 7.0968 7.0968 7.5759 7.5759 7.6730 7.6730 8.1458 8.1458 8.4106 8.4106 8.4420 8.4420 8.7965 8.7965 8.8675 8.8675 8.9799 8.9799 10.6849 10.6849 11.6809 11.6809 11.7610 11.7610 13.5436 13.5436 k =-0.0065 0.0112 0.0130 ( 2997 PWs) bands (ev): -30.9069 -30.9069 -12.1930 -12.1930 -11.8262 -11.8262 -11.8072 -11.8072 -1.4961 -1.4961 2.2691 2.2691 4.6110 4.6110 6.5895 6.5895 6.5996 6.5996 7.0108 7.0108 7.0963 7.0963 7.5779 7.5779 7.6755 7.6755 8.1471 8.1471 8.4125 8.4125 8.4426 8.4426 8.8364 8.8364 8.8804 8.8804 8.9355 8.9355 10.7084 10.7084 11.6827 11.6827 11.7604 11.7604 13.5235 13.5235 k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8263 -11.8263 -11.8073 -11.8073 -1.4974 -1.4974 2.2693 2.2693 4.6099 4.6099 6.5902 6.5902 6.6003 6.6003 7.0101 7.0101 7.0960 7.0960 7.5785 7.5785 7.6763 7.6763 8.1474 8.1474 8.4132 8.4132 8.4428 8.4428 8.8643 8.8643 8.8827 8.8827 8.9075 8.9075 10.7164 10.7164 11.6826 11.6826 11.7607 11.7607 13.5165 13.5165 k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8263 -11.8263 -11.8073 -11.8073 -1.4974 -1.4974 2.2693 2.2693 4.6099 4.6099 6.5902 6.5902 6.6003 6.6003 7.0101 7.0101 7.0960 7.0960 7.5785 7.5785 7.6763 7.6763 8.1474 8.1474 8.4132 8.4132 8.4428 8.4428 8.8643 8.8643 8.8827 8.8827 8.9075 8.9075 10.7164 10.7164 11.6826 11.6826 11.7607 11.7607 13.5165 13.5165 k = 0.0156 0.0090 0.0000 ( 3017 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8263 -11.8263 -11.8073 -11.8073 -1.4961 -1.4961 2.2631 2.2631 4.6151 4.6151 6.5905 6.5905 6.6007 6.6007 7.0101 7.0101 7.0960 7.0960 7.5779 7.5779 7.6756 7.6756 8.1462 8.1462 8.4132 8.4132 8.4451 8.4451 8.8640 8.8640 8.8828 8.8828 8.9073 8.9073 10.7172 10.7172 11.6855 11.6855 11.7635 11.7635 13.5192 13.5192 k = 0.0312 0.0181 0.0000 ( 2989 PWs) bands (ev): -30.9069 -30.9069 -12.1930 -12.1930 -11.8261 -11.8261 -11.8073 -11.8073 -1.4919 -1.4919 2.2448 2.2448 4.6305 4.6305 6.5913 6.5913 6.6015 6.6015 7.0102 7.0102 7.0960 7.0960 7.5761 7.5761 7.6736 7.6736 8.1434 8.1434 8.4132 8.4132 8.4521 8.4521 8.8633 8.8633 8.8834 8.8834 8.9068 8.9068 10.7199 10.7199 11.6938 11.6938 11.7718 11.7718 13.5273 13.5273 k = 0.0469 0.0271 0.0000 ( 2981 PWs) bands (ev): -30.9069 -30.9069 -12.1930 -12.1930 -11.8261 -11.8261 -11.8073 -11.8073 -1.4851 -1.4851 2.2147 2.2147 4.6553 4.6553 6.5924 6.5924 6.6027 6.6027 7.0104 7.0104 7.0958 7.0958 7.5731 7.5731 7.6702 7.6702 8.1383 8.1383 8.4132 8.4132 8.4636 8.4636 8.8621 8.8621 8.8834 8.8834 8.9060 8.9060 10.7241 10.7241 11.7076 11.7076 11.7854 11.7854 13.5408 13.5408 k = 0.0625 0.0361 0.0000 ( 2977 PWs) bands (ev): -30.9069 -30.9069 -12.1930 -12.1930 -11.8261 -11.8261 -11.8074 -11.8074 -1.4754 -1.4754 2.1740 2.1740 4.6886 4.6886 6.5939 6.5939 6.6043 6.6043 7.0107 7.0107 7.0955 7.0955 7.5689 7.5689 7.6655 7.6655 8.1313 8.1313 8.4133 8.4133 8.4799 8.4799 8.8605 8.8605 8.8835 8.8835 8.9048 8.9048 10.7299 10.7299 11.7268 11.7268 11.8044 11.8044 13.4964 13.4964 k = 0.0781 0.0452 0.0000 ( 2981 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8261 -11.8261 -11.8076 -11.8076 -1.4631 -1.4631 2.1237 2.1237 4.7289 4.7289 6.5958 6.5958 6.6064 6.6064 7.0110 7.0110 7.0954 7.0954 7.5634 7.5634 7.6594 7.6594 8.1225 8.1225 8.4132 8.4132 8.5009 8.5009 8.8585 8.8585 8.8837 8.8837 8.9035 8.9035 10.7372 10.7372 11.7512 11.7512 11.8285 11.8285 13.4273 13.4273 k = 0.0938 0.0542 0.0000 ( 2973 PWs) bands (ev): -30.9069 -30.9069 -12.1931 -12.1931 -11.8261 -11.8261 -11.8077 -11.8077 -1.4480 -1.4480 2.0649 2.0649 4.7749 4.7749 6.5982 6.5982 6.6090 6.6090 7.0115 7.0115 7.0956 7.0956 7.5569 7.5569 7.6521 7.6521 8.1121 8.1121 8.4133 8.4133 8.5269 8.5269 8.8564 8.8564 8.8838 8.8838 8.9019 8.9019 10.7458 10.7458 11.7807 11.7807 11.8576 11.8576 13.3608 13.3608 k = 0.1094 0.0632 0.0000 ( 2965 PWs) bands (ev): -30.9068 -30.9068 -12.1932 -12.1932 -11.8261 -11.8261 -11.8079 -11.8079 -1.4302 -1.4302 1.9990 1.9990 4.8252 4.8252 6.6009 6.6009 6.6120 6.6120 7.0121 7.0121 7.0962 7.0962 7.5492 7.5492 7.6436 7.6436 8.1002 8.1002 8.4133 8.4133 8.5581 8.5581 8.8541 8.8541 8.8840 8.8840 8.9003 8.9003 10.7556 10.7556 11.8150 11.8150 11.8914 11.8914 13.2971 13.2971 k = 0.1250 0.0723 0.0000 ( 2969 PWs) bands (ev): -30.9068 -30.9068 -12.1933 -12.1933 -11.8261 -11.8261 -11.8081 -11.8081 -1.4098 -1.4098 1.9270 1.9270 4.8782 4.8782 6.6041 6.6041 6.6155 6.6155 7.0126 7.0126 7.0974 7.0974 7.5403 7.5403 7.6339 7.6339 8.0869 8.0869 8.4133 8.4133 8.5943 8.5943 8.8519 8.8519 8.8842 8.8842 8.8986 8.8986 10.7663 10.7663 11.8538 11.8538 11.9298 11.9298 13.2363 13.2363 k = 0.1406 0.0813 0.0000 ( 2969 PWs) bands (ev): -30.9068 -30.9068 -12.1934 -12.1934 -11.8261 -11.8261 -11.8084 -11.8084 -1.3866 -1.3866 1.8500 1.8500 4.9327 4.9327 6.6076 6.6076 6.6194 6.6194 7.0132 7.0132 7.0993 7.0993 7.5304 7.5304 7.6231 7.6231 8.0724 8.0724 8.4133 8.4133 8.6361 8.6361 8.8500 8.8500 8.8846 8.8846 8.8969 8.8969 10.7779 10.7779 11.8970 11.8970 11.9724 11.9724 13.1784 13.1784 k = 0.1562 0.0903 0.0000 ( 2969 PWs) bands (ev): -30.9068 -30.9068 -12.1935 -12.1935 -11.8261 -11.8261 -11.8086 -11.8086 -1.3608 -1.3608 1.7689 1.7689 4.9875 4.9875 6.6116 6.6116 6.6238 6.6238 7.0138 7.0138 7.1021 7.1021 7.5196 7.5196 7.6114 7.6114 8.0570 8.0570 8.4132 8.4132 8.6829 8.6829 8.8487 8.8487 8.8853 8.8853 8.8953 8.8953 10.7901 10.7901 11.9441 11.9441 12.0189 12.0189 13.1236 13.1236 k = 0.1719 0.0994 0.0000 ( 2969 PWs) bands (ev): -30.9068 -30.9068 -12.1936 -12.1936 -11.8261 -11.8261 -11.8089 -11.8089 -1.3324 -1.3324 1.6845 1.6845 5.0414 5.0414 6.6158 6.6158 6.6285 6.6285 7.0145 7.0145 7.1059 7.1059 7.5078 7.5078 7.5987 7.5987 8.0408 8.0408 8.4131 8.4131 8.7337 8.7337 8.8492 8.8492 8.8867 8.8867 8.8939 8.8939 10.8027 10.8027 11.9948 11.9948 12.0689 12.0689 13.0718 13.0718 k = 0.1875 0.1084 0.0000 ( 2968 PWs) bands (ev): -30.9068 -30.9068 -12.1937 -12.1937 -11.8261 -11.8261 -11.8092 -11.8092 -1.3013 -1.3013 1.5974 1.5974 5.0936 5.0936 6.6205 6.6205 6.6337 6.6337 7.0151 7.0151 7.1107 7.1107 7.4952 7.4952 7.5852 7.5852 8.0240 8.0240 8.4131 8.4131 8.7832 8.7832 8.8549 8.8549 8.8907 8.8907 8.8926 8.8926 10.8156 10.8156 12.0489 12.0489 12.1222 12.1222 13.0229 13.0229 k = 0.2031 0.1174 0.0000 ( 2972 PWs) bands (ev): -30.9068 -30.9068 -12.1939 -12.1939 -11.8262 -11.8262 -11.8095 -11.8095 -1.2677 -1.2677 1.5084 1.5084 5.1433 5.1433 6.6254 6.6254 6.6392 6.6392 7.0158 7.0158 7.1165 7.1165 7.4818 7.4818 7.5711 7.5711 8.0067 8.0067 8.4129 8.4129 8.8141 8.8141 8.8699 8.8699 8.8915 8.8915 8.9111 8.9111 10.8286 10.8286 12.1058 12.1058 12.1782 12.1782 12.9770 12.9770 k = 0.2188 0.1265 0.0000 ( 2972 PWs) bands (ev): -30.9068 -30.9068 -12.1940 -12.1940 -11.8262 -11.8262 -11.8099 -11.8099 -1.2315 -1.2315 1.4178 1.4178 5.1898 5.1898 6.6306 6.6306 6.6451 6.6451 7.0165 7.0165 7.1234 7.1234 7.4679 7.4679 7.5564 7.5564 7.9893 7.9893 8.4128 8.4128 8.8229 8.8229 8.8772 8.8772 8.8907 8.8907 8.9685 8.9685 10.8415 10.8415 12.1651 12.1651 12.2366 12.2366 12.9341 12.9341 k = 0.2344 0.1355 0.0000 ( 2972 PWs) bands (ev): -30.9068 -30.9068 -12.1941 -12.1941 -11.8262 -11.8262 -11.8102 -11.8102 -1.1927 -1.1927 1.3263 1.3263 5.2328 5.2328 6.6361 6.6361 6.6513 6.6513 7.0173 7.0173 7.1312 7.1312 7.4535 7.4535 7.5412 7.5412 7.9718 7.9718 8.4127 8.4127 8.8248 8.8248 8.8793 8.8793 8.8902 8.8902 9.0454 9.0454 10.8543 10.8543 12.2265 12.2265 12.2970 12.2970 12.8939 12.8939 k = 0.2500 0.1445 0.0000 ( 2976 PWs) bands (ev): -30.9068 -30.9068 -12.1943 -12.1943 -11.8262 -11.8262 -11.8105 -11.8105 -1.1515 -1.1515 1.2340 1.2340 5.2720 5.2720 6.6419 6.6419 6.6578 6.6578 7.0180 7.0180 7.1397 7.1397 7.4387 7.4387 7.5258 7.5258 7.9545 7.9545 8.4127 8.4127 8.8250 8.8250 8.8802 8.8802 8.8899 8.8899 9.1326 9.1326 10.8668 10.8668 12.2893 12.2893 12.3587 12.3587 12.8566 12.8566 k = 0.2656 0.1536 0.0000 ( 2960 PWs) bands (ev): -30.9068 -30.9068 -12.1943 -12.1943 -11.8262 -11.8262 -11.8108 -11.8108 -1.1078 -1.1078 1.1414 1.1414 5.3072 5.3072 6.6479 6.6479 6.6647 6.6647 7.0188 7.0188 7.1489 7.1489 7.4238 7.4238 7.5102 7.5102 7.9374 7.9374 8.4126 8.4126 8.8249 8.8249 8.8807 8.8807 8.8899 8.8899 9.2283 9.2283 10.8789 10.8789 12.3532 12.3532 12.4213 12.4213 12.8220 12.8220 k = 0.2812 0.1626 0.0000 ( 2960 PWs) bands (ev): -30.9068 -30.9068 -12.1945 -12.1945 -11.8262 -11.8262 -11.8111 -11.8111 -1.0617 -1.0617 1.0488 1.0488 5.3384 5.3384 6.6539 6.6539 6.6717 6.6717 7.0195 7.0195 7.1585 7.1585 7.4088 7.4088 7.4946 7.4946 7.9208 7.9208 8.4126 8.4126 8.8246 8.8246 8.8810 8.8810 8.8901 8.8901 9.3314 9.3314 10.8904 10.8904 12.4174 12.4174 12.4842 12.4842 12.7901 12.7901 k = 0.2969 0.1716 0.0000 ( 2960 PWs) bands (ev): -30.9068 -30.9068 -12.1946 -12.1946 -11.8262 -11.8262 -11.8114 -11.8114 -1.0133 -1.0133 0.9563 0.9563 5.3657 5.3657 6.6601 6.6601 6.6789 6.6789 7.0201 7.0201 7.1682 7.1682 7.3939 7.3939 7.4791 7.4791 7.9047 7.9047 8.4125 8.4125 8.8243 8.8243 8.8811 8.8811 8.8905 8.8905 9.4417 9.4417 10.9014 10.9014 12.4814 12.4814 12.5467 12.5467 12.7607 12.7607 k = 0.3125 0.1807 0.0000 ( 2952 PWs) bands (ev): -30.9068 -30.9068 -12.1947 -12.1947 -11.8262 -11.8262 -11.8117 -11.8117 -0.9625 -0.9625 0.8643 0.8643 5.3893 5.3893 6.6663 6.6663 6.6861 6.6861 7.0208 7.0208 7.1779 7.1779 7.3793 7.3793 7.4639 7.4639 7.8896 7.8896 8.4124 8.4124 8.8242 8.8242 8.8812 8.8812 8.8911 8.8911 9.5586 9.5586 10.9117 10.9117 12.5445 12.5445 12.6083 12.6083 12.7339 12.7339 k = 0.3281 0.1897 0.0000 ( 2960 PWs) bands (ev): -30.9068 -30.9068 -12.1948 -12.1948 -11.8262 -11.8262 -11.8120 -11.8120 -0.9095 -0.9095 0.7729 0.7729 5.4095 5.4095 6.6723 6.6723 6.6933 6.6933 7.0214 7.0214 7.1872 7.1872 7.3653 7.3653 7.4491 7.4491 7.8748 7.8748 8.4124 8.4124 8.8242 8.8242 8.8813 8.8813 8.8919 8.8919 9.6815 9.6815 10.9213 10.9213 12.6058 12.6058 12.6682 12.6682 12.7098 12.7098 k = 0.3438 0.1987 0.0000 ( 2952 PWs) bands (ev): -30.9067 -30.9067 -12.1949 -12.1949 -11.8262 -11.8262 -11.8122 -11.8122 -0.8542 -0.8542 0.6823 0.6823 5.4265 5.4265 6.6784 6.6784 6.7005 6.7005 7.0220 7.0220 7.1958 7.1958 7.3521 7.3521 7.4349 7.4349 7.8613 7.8613 8.4124 8.4124 8.8244 8.8244 8.8814 8.8814 8.8928 8.8928 9.8099 9.8099 10.9301 10.9301 12.6628 12.6628 12.6900 12.6900 12.7257 12.7257 k = 0.3594 0.2078 0.0000 ( 2952 PWs) bands (ev): -30.9067 -30.9067 -12.1950 -12.1950 -11.8262 -11.8262 -11.8125 -11.8125 -0.7968 -0.7968 0.5926 0.5926 5.4407 5.4407 6.6842 6.6842 6.7076 6.7076 7.0225 7.0225 7.2035 7.2035 7.3399 7.3399 7.4215 7.4215 7.8486 7.8486 8.4123 8.4123 8.8247 8.8247 8.8814 8.8814 8.8937 8.8937 9.9428 9.9428 10.9382 10.9382 12.6658 12.6658 12.7235 12.7235 12.7801 12.7801 k = 0.3750 0.2168 0.0000 ( 2952 PWs) bands (ev): -30.9067 -30.9067 -12.1951 -12.1951 -11.8262 -11.8262 -11.8128 -11.8128 -0.7374 -0.7374 0.5041 0.5041 5.4524 5.4524 6.6896 6.6896 6.7141 6.7141 7.0231 7.0231 7.2101 7.2101 7.3292 7.3292 7.4090 7.4090 7.8370 7.8370 8.4124 8.4124 8.8252 8.8252 8.8814 8.8814 8.8948 8.8948 10.0791 10.0791 10.9455 10.9455 12.6489 12.6489 12.7753 12.7753 12.8307 12.8307 k = 0.3906 0.2258 0.0000 ( 2952 PWs) bands (ev): -30.9067 -30.9067 -12.1952 -12.1952 -11.8262 -11.8262 -11.8130 -11.8130 -0.6761 -0.6761 0.4170 0.4170 5.4619 5.4619 6.6948 6.6948 6.7205 6.7205 7.0236 7.0236 7.2153 7.2153 7.3199 7.3199 7.3974 7.3974 7.8266 7.8266 8.4126 8.4126 8.8255 8.8255 8.8814 8.8814 8.8957 8.8957 10.2174 10.2174 10.9519 10.9519 12.6337 12.6337 12.8231 12.8231 12.8769 12.8769 k = 0.4062 0.2349 0.0000 ( 2956 PWs) bands (ev): -30.9067 -30.9067 -12.1953 -12.1953 -11.8262 -11.8262 -11.8132 -11.8132 -0.6130 -0.6130 0.3315 0.3315 5.4695 5.4695 6.6995 6.6995 6.7264 6.7264 7.0239 7.0239 7.2188 7.2188 7.3125 7.3125 7.3871 7.3871 7.8174 7.8174 8.4126 8.4126 8.8259 8.8259 8.8814 8.8814 8.8966 8.8966 10.3555 10.3555 10.9575 10.9575 12.6205 12.6205 12.8657 12.8657 12.9180 12.9180 k = 0.4219 0.2439 0.0000 ( 2956 PWs) bands (ev): -30.9067 -30.9067 -12.1954 -12.1954 -11.8262 -11.8262 -11.8134 -11.8134 -0.5484 -0.5484 0.2478 0.2478 5.4755 5.4755 6.7037 6.7037 6.7317 6.7317 7.0242 7.0242 7.2208 7.2208 7.3071 7.3071 7.3781 7.3781 7.8096 7.8096 8.4125 8.4125 8.8264 8.8264 8.8814 8.8814 8.8974 8.8974 10.4908 10.4908 10.9622 10.9622 12.6093 12.6093 12.9014 12.9014 12.9536 12.9536 k = 0.4375 0.2529 0.0000 ( 2952 PWs) bands (ev): -30.9067 -30.9067 -12.1954 -12.1954 -11.8262 -11.8262 -11.8135 -11.8135 -0.4828 -0.4828 0.1666 0.1666 5.4801 5.4801 6.7074 6.7074 6.7363 6.7363 7.0245 7.0245 7.2213 7.2213 7.3034 7.3034 7.3705 7.3705 7.8031 7.8031 8.4125 8.4125 8.8267 8.8267 8.8815 8.8815 8.8981 8.8981 10.6189 10.6189 10.9661 10.9661 12.6002 12.6002 12.9040 12.9040 12.9536 12.9536 k = 0.4531 0.2620 0.0000 ( 2944 PWs) bands (ev): -30.9067 -30.9067 -12.1954 -12.1954 -11.8262 -11.8262 -11.8136 -11.8136 -0.4171 -0.4171 0.0887 0.0887 5.4835 5.4835 6.7104 6.7104 6.7401 6.7401 7.0247 7.0247 7.2210 7.2210 7.3012 7.3012 7.3645 7.3645 7.7981 7.7981 8.4125 8.4125 8.8270 8.8270 8.8815 8.8815 8.8987 8.8987 10.7340 10.7340 10.9692 10.9692 12.5928 12.5928 12.7781 12.7781 12.9638 12.9639 k = 0.4688 0.2710 0.0000 ( 2940 PWs) bands (ev): -30.9067 -30.9067 -12.1955 -12.1955 -11.8262 -11.8262 -11.8137 -11.8137 -0.3536 -0.3536 0.0165 0.0165 5.4858 5.4858 6.7125 6.7125 6.7427 6.7427 7.0248 7.0248 7.2204 7.2204 7.3000 7.3000 7.3602 7.3602 7.7944 7.7944 8.4125 8.4125 8.8273 8.8273 8.8815 8.8815 8.8992 8.8992 10.8280 10.8280 10.9713 10.9713 12.5864 12.5864 12.6680 12.6680 12.9804 12.9805 k = 0.4844 0.2800 0.0000 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1955 -12.1955 -11.8262 -11.8262 -11.8137 -11.8137 -0.2992 -0.2992 -0.0432 -0.0432 5.4871 5.4871 6.7137 6.7137 6.7443 6.7443 7.0249 7.0249 7.2198 7.2198 7.2995 7.2995 7.3575 7.3575 7.7922 7.7922 8.4125 8.4125 8.8275 8.8275 8.8814 8.8814 8.8995 8.8995 10.8908 10.8908 10.9726 10.9726 12.5747 12.5747 12.6030 12.6030 12.9908 12.9908 k = 0.5000 0.2891 0.0000 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1955 -12.1955 -11.8262 -11.8262 -11.8138 -11.8138 -0.2741 -0.2741 -0.0700 -0.0700 5.4875 5.4875 6.7141 6.7141 6.7448 6.7448 7.0249 7.0249 7.2195 7.2195 7.2993 7.2993 7.3567 7.3567 7.7915 7.7915 8.4125 8.4125 8.8275 8.8275 8.8814 8.8814 8.8996 8.8996 10.9130 10.9130 10.9730 10.9730 12.5586 12.5586 12.5921 12.5921 12.9943 12.9943 k = 0.5000 0.2891 0.0000 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1955 -12.1955 -11.8262 -11.8262 -11.8138 -11.8138 -0.2741 -0.2741 -0.0700 -0.0700 5.4875 5.4875 6.7141 6.7141 6.7448 6.7448 7.0249 7.0249 7.2195 7.2195 7.2993 7.2993 7.3567 7.3567 7.7915 7.7915 8.4125 8.4125 8.8275 8.8275 8.8814 8.8814 8.8996 8.8996 10.9130 10.9130 10.9730 10.9730 12.5586 12.5586 12.5921 12.5921 12.9943 12.9944 k = 0.4937 0.3000 0.0126 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1955 -12.1955 -11.8263 -11.8263 -11.8138 -11.8138 -0.2730 -0.2730 -0.0694 -0.0694 5.4876 5.4876 6.7138 6.7138 6.7446 6.7446 7.0254 7.0254 7.2185 7.2185 7.2979 7.2979 7.3533 7.3533 7.7936 7.7936 8.4119 8.4119 8.8155 8.8155 8.8680 8.8680 8.9203 8.9203 10.9145 10.9145 10.9787 10.9787 12.5509 12.5509 12.5967 12.5967 12.9958 12.9959 k = 0.4874 0.3109 0.0252 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1956 -12.1956 -11.8264 -11.8264 -11.8138 -11.8138 -0.2696 -0.2696 -0.0675 -0.0675 5.4879 5.4879 6.7131 6.7131 6.7439 6.7439 7.0269 7.0269 7.2146 7.2146 7.2935 7.2935 7.3442 7.3442 7.7995 7.7995 8.4099 8.4099 8.7891 8.7891 8.8482 8.8482 8.9531 8.9531 10.9186 10.9186 10.9957 10.9957 12.5283 12.5283 12.6102 12.6102 12.9999 13.0000 k = 0.4811 0.3218 0.0378 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1958 -12.1958 -11.8267 -11.8267 -11.8138 -11.8138 -0.2639 -0.2639 -0.0644 -0.0644 5.4884 5.4884 6.7116 6.7116 6.7430 6.7430 7.0294 7.0294 7.2057 7.2057 7.2863 7.2863 7.3323 7.3323 7.8086 7.8086 8.4067 8.4067 8.7583 8.7583 8.8218 8.8218 8.9890 8.9890 10.9243 10.9243 11.0235 11.0235 12.4919 12.4919 12.6327 12.6327 13.0060 13.0061 k = 0.4748 0.3327 0.0504 ( 2956 PWs) bands (ev): -30.9066 -30.9066 -12.1960 -12.1960 -11.8271 -11.8271 -11.8138 -11.8138 -0.2559 -0.2559 -0.0600 -0.0600 5.4888 5.4888 6.7091 6.7091 6.7420 6.7420 7.0327 7.0327 7.1882 7.1882 7.2778 7.2778 7.3210 7.3210 7.8198 7.8198 8.4023 8.4023 8.7263 8.7263 8.7887 8.7887 9.0264 9.0264 10.9314 10.9314 11.0607 11.0607 12.4432 12.4432 12.6639 12.6639 13.0133 13.0133 k = 0.4685 0.3436 0.0630 ( 2960 PWs) bands (ev): -30.9066 -30.9066 -12.1962 -12.1962 -11.8276 -11.8276 -11.8138 -11.8138 -0.2457 -0.2457 -0.0544 -0.0544 5.4892 5.4892 6.7055 6.7055 6.7414 6.7414 7.0366 7.0366 7.1593 7.1593 7.2700 7.2700 7.3123 7.3123 7.8323 7.8323 8.3964 8.3964 8.6939 8.6939 8.7506 8.7506 9.0649 9.0649 10.9396 10.9396 11.1050 11.1050 12.3837 12.3837 12.7036 12.7036 13.0215 13.0215 k = 0.4621 0.3546 0.0756 ( 2958 PWs) bands (ev): -30.9065 -30.9065 -12.1965 -12.1965 -11.8282 -11.8282 -11.8138 -11.8138 -0.2332 -0.2332 -0.0477 -0.0477 5.4891 5.4891 6.7006 6.7006 6.7413 6.7413 7.0405 7.0405 7.1204 7.1204 7.2628 7.2628 7.3070 7.3070 7.8454 7.8454 8.3895 8.3895 8.6610 8.6610 8.7097 8.7097 9.1042 9.1042 10.9489 10.9489 11.1543 11.1543 12.3149 12.3149 12.7511 12.7511 13.0303 13.0303 k = 0.4558 0.3655 0.0882 ( 2954 PWs) bands (ev): -30.9065 -30.9065 -12.1969 -12.1969 -11.8289 -11.8289 -11.8137 -11.8137 -0.2185 -0.2185 -0.0400 -0.0400 5.4885 5.4885 6.6944 6.6944 6.7417 6.7417 7.0387 7.0387 7.0795 7.0795 7.2544 7.2544 7.3054 7.3054 7.8585 7.8585 8.3811 8.3811 8.6268 8.6268 8.6687 8.6687 9.1440 9.1440 10.9590 10.9590 11.2063 11.2063 12.2383 12.2383 12.8055 12.8055 13.0398 13.0398 k = 0.4495 0.3764 0.1008 ( 2954 PWs) bands (ev): -30.9064 -30.9064 -12.1973 -12.1973 -11.8297 -11.8297 -11.8136 -11.8136 -0.2015 -0.2015 -0.0312 -0.0312 5.4870 5.4870 6.6870 6.6870 6.7427 6.7427 7.0039 7.0039 7.0661 7.0661 7.2438 7.2438 7.3072 7.3072 7.8710 7.8710 8.3714 8.3714 8.5901 8.5901 8.6302 8.6302 9.1842 9.1842 10.9697 10.9697 11.2594 11.2594 12.1552 12.1552 12.8656 12.8656 13.0501 13.0501 k = 0.4432 0.3873 0.1135 ( 2954 PWs) bands (ev): -30.9063 -30.9063 -12.1977 -12.1977 -11.8307 -11.8307 -11.8135 -11.8135 -0.1823 -0.1823 -0.0214 -0.0214 5.4839 5.4839 6.6785 6.6785 6.7442 6.7442 6.9476 6.9476 7.0710 7.0710 7.2313 7.2313 7.3116 7.3116 7.8828 7.8828 8.3601 8.3601 8.5507 8.5507 8.5957 8.5957 9.2247 9.2247 10.9806 10.9806 11.3122 11.3122 12.0665 12.0665 12.9290 12.9290 13.0613 13.0613 k = 0.4369 0.3982 0.1261 ( 2954 PWs) bands (ev): -30.9062 -30.9062 -12.1982 -12.1982 -11.8317 -11.8317 -11.8133 -11.8133 -0.1610 -0.1610 -0.0108 -0.0108 5.4790 5.4790 6.6690 6.6690 6.7458 6.7458 6.8864 6.8864 7.0789 7.0789 7.2174 7.2174 7.3179 7.3179 7.8936 7.8936 8.3473 8.3473 8.5104 8.5104 8.5645 8.5645 9.2653 9.2653 10.9910 10.9910 11.3636 11.3636 11.9735 11.9735 12.9928 12.9928 13.0734 13.0734 k = 0.4306 0.4091 0.1387 ( 2958 PWs) bands (ev): -30.9062 -30.9062 -12.1988 -12.1988 -11.8329 -11.8329 -11.8131 -11.8131 -0.1374 -0.1374 0.0005 0.0005 5.4716 5.4716 6.6586 6.6586 6.7471 6.7471 6.8244 6.8244 7.0879 7.0879 7.2025 7.2025 7.3255 7.3255 7.9032 7.9032 8.3328 8.3328 8.4710 8.4710 8.5352 8.5352 9.3059 9.3059 11.0003 11.0003 11.4132 11.4132 11.8769 11.8769 13.0518 13.0518 13.0866 13.0866 k = 0.4243 0.4200 0.1513 ( 2956 PWs) bands (ev): -30.9061 -30.9061 -12.1994 -12.1994 -11.8341 -11.8341 -11.8129 -11.8129 -0.1118 -0.1118 0.0125 0.0125 5.4611 5.4611 6.6475 6.6475 6.7405 6.7405 6.7711 6.7711 7.0970 7.0970 7.1874 7.1874 7.3340 7.3340 7.9115 7.9115 8.3165 8.3165 8.4338 8.4338 8.5073 8.5073 9.3464 9.3464 11.0077 11.0077 11.4606 11.4606 11.7778 11.7778 13.0964 13.0964 13.1031 13.1031 k = 0.4180 0.4310 0.1639 ( 2956 PWs) bands (ev): -30.9060 -30.9060 -12.2000 -12.2000 -11.8355 -11.8355 -11.8126 -11.8126 -0.0840 -0.0840 0.0250 0.0250 5.4467 5.4467 6.6355 6.6355 6.6936 6.6936 6.7606 6.7606 7.1047 7.1047 7.1737 7.1737 7.3433 7.3433 7.9184 7.9184 8.2982 8.2982 8.3996 8.3996 8.4803 8.4803 9.3867 9.3867 11.0122 11.0122 11.5057 11.5057 11.6768 11.6768 13.1132 13.1132 13.1272 13.1272 k = 0.4117 0.4419 0.1765 ( 2960 PWs) bands (ev): -30.9058 -30.9058 -12.2007 -12.2007 -11.8369 -11.8369 -11.8124 -11.8124 -0.0541 -0.0541 0.0378 0.0378 5.4278 5.4278 6.6204 6.6204 6.6402 6.6402 6.7630 6.7630 7.1076 7.1076 7.1649 7.1649 7.3531 7.3531 7.9239 7.9239 8.2780 8.2780 8.3685 8.3685 8.4539 8.4539 9.4267 9.4267 11.0126 11.0126 11.5458 11.5458 11.5777 11.5777 13.1199 13.1199 13.1362 13.1362 k = 0.4054 0.4528 0.1891 ( 2962 PWs) bands (ev): -30.9057 -30.9057 -12.2014 -12.2014 -11.8384 -11.8384 -11.8120 -11.8120 -0.0221 -0.0221 0.0509 0.0509 5.4036 5.4036 6.5811 6.5811 6.6143 6.6143 6.7669 6.7669 7.1014 7.1014 7.1653 7.1653 7.3631 7.3631 7.9280 7.9280 8.2561 8.2561 8.3405 8.3405 8.4281 8.4281 9.4663 9.4663 11.0078 11.0078 11.4692 11.4692 11.5931 11.5931 13.1023 13.1023 13.1501 13.1501 k = 0.3990 0.4637 0.2017 ( 2958 PWs) bands (ev): -30.9056 -30.9056 -12.2022 -12.2022 -11.8398 -11.8398 -11.8117 -11.8117 0.0118 0.0118 0.0641 0.0641 5.3737 5.3737 6.5349 6.5349 6.6003 6.6003 6.7715 6.7715 7.0875 7.0875 7.1739 7.1739 7.3736 7.3736 7.9307 7.9307 8.2332 8.2332 8.3153 8.3153 8.4026 8.4026 9.5053 9.5053 10.9965 10.9965 11.3660 11.3660 11.6341 11.6341 13.0733 13.0733 13.1669 13.1669 k = 0.3927 0.4746 0.2143 ( 2962 PWs) bands (ev): -30.9055 -30.9055 -12.2030 -12.2030 -11.8414 -11.8414 -11.8113 -11.8113 0.0478 0.0478 0.0771 0.0771 5.3379 5.3379 6.4946 6.4946 6.5868 6.5868 6.7767 6.7767 7.0695 7.0695 7.1868 7.1868 7.3843 7.3843 7.9318 7.9318 8.2098 8.2098 8.2919 8.2919 8.3772 8.3772 9.5436 9.5436 10.9777 10.9777 11.2626 11.2626 11.6754 11.6754 13.0440 13.0440 13.1843 13.1843 k = 0.3864 0.4855 0.2269 ( 2950 PWs) bands (ev): -30.9054 -30.9054 -12.2037 -12.2037 -11.8429 -11.8429 -11.8109 -11.8109 0.0856 0.0856 0.0899 0.0899 5.2963 5.2963 6.4612 6.4612 6.5733 6.5733 6.7823 6.7823 7.0499 7.0499 7.2019 7.2019 7.3952 7.3952 7.9317 7.9317 8.1866 8.1866 8.2700 8.2700 8.3522 8.3522 9.5812 9.5812 10.9506 10.9506 11.1599 11.1599 11.7177 11.7177 13.0197 13.0197 13.2018 13.2018 k = 0.3801 0.4964 0.2395 ( 2946 PWs) bands (ev): -30.9052 -30.9052 -12.2045 -12.2045 -11.8445 -11.8445 -11.8105 -11.8105 0.1020 0.1020 0.1255 0.1255 5.2495 5.2495 6.4348 6.4348 6.5597 6.5597 6.7885 6.7885 7.0293 7.0293 7.2185 7.2185 7.4060 7.4060 7.9300 7.9300 8.1637 8.1637 8.2490 8.2490 8.3272 8.3272 9.6180 9.6180 10.9145 10.9145 11.0585 11.0585 11.7614 11.7614 13.0034 13.0034 13.2187 13.2187 k = 0.3738 0.5073 0.2521 ( 2952 PWs) bands (ev): -30.9051 -30.9051 -12.2054 -12.2054 -11.8461 -11.8461 -11.8101 -11.8101 0.1135 0.1135 0.1671 0.1671 5.1981 5.1981 6.4152 6.4152 6.5460 6.5460 6.7949 6.7949 7.0083 7.0083 7.2360 7.2360 7.4168 7.4168 7.9269 7.9269 8.1415 8.1415 8.2286 8.2286 8.3024 8.3024 9.6539 9.6539 10.8688 10.8688 10.9595 10.9595 11.8072 11.8072 12.9960 12.9960 13.2338 13.2338 k = 0.3675 0.5183 0.2647 ( 2950 PWs) bands (ev): -30.9050 -30.9050 -12.2062 -12.2062 -11.8476 -11.8476 -11.8097 -11.8097 0.1240 0.1240 0.2105 0.2105 5.1433 5.1433 6.4018 6.4018 6.5322 6.5322 6.8019 6.8019 6.9870 6.9870 7.2545 7.2545 7.4275 7.4275 7.9226 7.9226 8.1200 8.1200 8.2087 8.2087 8.2776 8.2776 9.6889 9.6889 10.8105 10.8105 10.8669 10.8669 11.8554 11.8554 12.9979 12.9979 13.2452 13.2452 k = 0.3612 0.5292 0.2773 ( 2952 PWs) bands (ev): -30.9049 -30.9049 -12.2071 -12.2071 -11.8491 -11.8491 -11.8093 -11.8093 0.1334 0.1334 0.2556 0.2556 5.0862 5.0862 6.3938 6.3938 6.5184 6.5184 6.8093 6.8093 6.9656 6.9656 7.2738 7.2738 7.4379 7.4379 7.9172 7.9172 8.0991 8.0991 8.1893 8.1893 8.2529 8.2529 9.7230 9.7230 10.7334 10.7334 10.7880 10.7880 11.9063 11.9063 13.0085 13.0085 13.2494 13.2494 k = 0.3549 0.5401 0.2899 ( 2960 PWs) bands (ev): -30.9047 -30.9047 -12.2080 -12.2080 -11.8507 -11.8507 -11.8089 -11.8089 0.1413 0.1413 0.3024 0.3024 5.0278 5.0278 6.3901 6.3901 6.5048 6.5048 6.8171 6.8171 6.9442 6.9442 7.2936 7.2936 7.4481 7.4481 7.9106 7.9106 8.0787 8.0787 8.1704 8.1704 8.2283 8.2283 9.7562 9.7562 10.6431 10.6431 10.7186 10.7186 11.9601 11.9601 13.0271 13.0271 13.2409 13.2409 k = 0.3486 0.5510 0.3025 ( 2958 PWs) bands (ev): -30.9046 -30.9046 -12.2088 -12.2088 -11.8521 -11.8521 -11.8085 -11.8085 0.1476 0.1476 0.3508 0.3508 4.9695 4.9695 6.3902 6.3902 6.4914 6.4914 6.8254 6.8254 6.9231 6.9231 7.3141 7.3141 7.4579 7.4579 7.9031 7.9031 8.0588 8.0588 8.1518 8.1518 8.2041 8.2041 9.7884 9.7884 10.5496 10.5496 10.6499 10.6499 12.0167 12.0167 13.0530 13.0530 13.2127 13.2127 k = 0.3423 0.5619 0.3152 ( 2952 PWs) bands (ev): -30.9045 -30.9045 -12.2097 -12.2097 -11.8535 -11.8535 -11.8081 -11.8081 0.1520 0.1520 0.4007 0.4007 4.9121 4.9121 6.3928 6.3928 6.4784 6.4784 6.8342 6.8342 6.9022 6.9022 7.3351 7.3351 7.4672 7.4672 7.8948 7.8948 8.0395 8.0395 8.1336 8.1336 8.1806 8.1806 9.8197 9.8197 10.4565 10.4565 10.5799 10.5799 12.0761 12.0761 13.0850 13.0850 13.1618 13.1618 k = 0.3360 0.5728 0.3278 ( 2952 PWs) bands (ev): -30.9044 -30.9044 -12.2105 -12.2105 -11.8548 -11.8548 -11.8077 -11.8077 0.1543 0.1543 0.4520 0.4520 4.8566 4.8566 6.3973 6.3973 6.4658 6.4658 6.8434 6.8434 6.8816 6.8816 7.3565 7.3565 7.4760 7.4760 7.8857 7.8857 8.0205 8.0205 8.1153 8.1153 8.1581 8.1581 9.8501 9.8501 10.3645 10.3645 10.5087 10.5087 12.1382 12.1382 13.0892 13.0892 13.1247 13.1247 k = 0.3296 0.5837 0.3404 ( 2948 PWs) bands (ev): -30.9043 -30.9043 -12.2113 -12.2113 -11.8561 -11.8561 -11.8073 -11.8073 0.1542 0.1542 0.5047 0.5047 4.8039 4.8039 6.4024 6.4024 6.4542 6.4542 6.8529 6.8529 6.8616 6.8616 7.3781 7.3781 7.4841 7.4841 7.8760 7.8760 8.0022 8.0022 8.0964 8.0964 8.1374 8.1374 9.8796 9.8796 10.2743 10.2743 10.4371 10.4371 12.2028 12.2028 13.0066 13.0066 13.1662 13.1662 k = 0.3233 0.5947 0.3530 ( 2948 PWs) bands (ev): -30.9042 -30.9042 -12.2120 -12.2120 -11.8573 -11.8573 -11.8069 -11.8069 0.1515 0.1515 0.5586 0.5586 4.7545 4.7545 6.4068 6.4068 6.4444 6.4444 6.8415 6.8415 6.8634 6.8634 7.3997 7.3997 7.4917 7.4917 7.8657 7.8657 7.9844 7.9844 8.0761 8.0761 8.1195 8.1195 9.9081 9.9081 10.1861 10.1861 10.3658 10.3658 12.2697 12.2697 12.9154 12.9154 13.2126 13.2126 k = 0.3170 0.6056 0.3656 ( 2956 PWs) bands (ev): -30.9041 -30.9041 -12.2128 -12.2128 -11.8585 -11.8585 -11.8065 -11.8065 0.1461 0.1461 0.6137 0.6137 4.7092 4.7092 6.4078 6.4078 6.4382 6.4382 6.8223 6.8223 6.8738 6.8738 7.4208 7.4208 7.4987 7.4987 7.8551 7.8551 7.9676 7.9676 8.0543 8.0543 8.1045 8.1045 9.9354 9.9354 10.1002 10.1002 10.2956 10.2956 12.3387 12.3387 12.8197 12.8197 13.2622 13.2622 k = 0.3107 0.6165 0.3782 ( 2958 PWs) bands (ev): -30.9040 -30.9040 -12.2135 -12.2135 -11.8595 -11.8595 -11.8062 -11.8062 0.1378 0.1378 0.6699 0.6699 4.6685 4.6685 6.4036 6.4036 6.4373 6.4373 6.8036 6.8036 6.8848 6.8848 7.4411 7.4411 7.5057 7.5057 7.8442 7.8442 7.9520 7.9520 8.0312 8.0312 8.0925 8.0925 9.9586 9.9586 10.0198 10.0198 10.2269 10.2269 12.4093 12.4093 12.7217 12.7217 13.3119 13.3131 k = 0.3044 0.6274 0.3908 ( 2958 PWs) bands (ev): -30.9039 -30.9039 -12.2141 -12.2141 -11.8604 -11.8604 -11.8059 -11.8059 0.1264 0.1264 0.7269 0.7269 4.6326 4.6326 6.3959 6.3959 6.4393 6.4393 6.7854 6.7854 6.8963 6.8963 7.4589 7.4589 7.5139 7.5139 7.8332 7.8332 7.9378 7.9378 8.0074 8.0074 8.0830 8.0830 9.9251 9.9251 9.9974 9.9974 10.1606 10.1606 12.4794 12.4794 12.6245 12.6245 13.2884 13.2885 k = 0.2981 0.6383 0.4034 ( 2950 PWs) bands (ev): -30.9038 -30.9038 -12.2146 -12.2146 -11.8613 -11.8613 -11.8055 -11.8055 0.1119 0.1119 0.7848 0.7848 4.6019 4.6019 6.3872 6.3872 6.4413 6.4413 6.7679 6.7679 6.9082 6.9082 7.4719 7.4719 7.5255 7.5255 7.8224 7.8224 7.9254 7.9254 7.9834 7.9834 8.0758 8.0758 9.8477 9.8477 10.0196 10.0196 10.0977 10.0977 12.5028 12.5028 12.5749 12.5749 13.2537 13.2537 k = 0.2918 0.6492 0.4160 ( 2960 PWs) bands (ev): -30.9038 -30.9038 -12.2152 -12.2152 -11.8621 -11.8621 -11.8052 -11.8052 0.0941 0.0941 0.8434 0.8434 4.5767 4.5767 6.3786 6.3786 6.4419 6.4419 6.7509 6.7509 6.9206 6.9206 7.4783 7.4783 7.5418 7.5418 7.8117 7.8117 7.9150 7.9150 7.9595 7.9595 8.0706 8.0706 9.7698 9.7698 10.0248 10.0248 10.0567 10.0567 12.4117 12.4117 12.6408 12.6408 13.2212 13.2212 k = 0.2918 0.6492 0.4160 ( 2960 PWs) bands (ev): -30.9038 -30.9038 -12.2152 -12.2152 -11.8621 -11.8621 -11.8052 -11.8052 0.0941 0.0941 0.8434 0.8434 4.5767 4.5767 6.3786 6.3786 6.4419 6.4419 6.7509 6.7509 6.9206 6.9206 7.4783 7.4783 7.5418 7.5418 7.8117 7.8117 7.9150 7.9150 7.9595 7.9595 8.0706 8.0706 9.7698 9.7698 10.0248 10.0248 10.0567 10.0567 12.4117 12.4117 12.6408 12.6408 13.2212 13.2212 k = 0.2756 0.6452 0.4206 ( 2960 PWs) bands (ev): -30.9038 -30.9038 -12.2153 -12.2153 -11.8623 -11.8623 -11.8051 -11.8051 0.0853 0.0853 0.8667 0.8667 4.5708 4.5708 6.3546 6.3546 6.4605 6.4605 6.7443 6.7443 6.9260 6.9260 7.4785 7.4785 7.5487 7.5487 7.8080 7.8080 7.9117 7.9117 7.9508 7.9508 8.0696 8.0696 9.7136 9.7136 10.0343 10.0343 10.0660 10.0660 12.3749 12.3749 12.6620 12.6620 13.2099 13.2099 k = 0.2594 0.6412 0.4253 ( 2950 PWs) bands (ev): -30.9037 -30.9037 -12.2155 -12.2155 -11.8625 -11.8625 -11.8050 -11.8050 0.0739 0.0739 0.8927 0.8927 4.5699 4.5699 6.3120 6.3120 6.4935 6.4935 6.7369 6.7369 6.9325 6.9325 7.4765 7.4765 7.5561 7.5561 7.8047 7.8047 7.9089 7.9089 7.9424 7.9424 8.0702 8.0702 9.6261 9.6261 10.0616 10.0616 10.0961 10.0961 12.3382 12.3382 12.6698 12.6698 13.2011 13.2011 k = 0.2432 0.6372 0.4299 ( 2956 PWs) bands (ev): -30.9037 -30.9037 -12.2156 -12.2156 -11.8627 -11.8627 -11.8049 -11.8049 0.0607 0.0607 0.9202 0.9202 4.5740 4.5740 6.2629 6.2629 6.5283 6.5283 6.7290 6.7290 6.9398 6.9398 7.4722 7.4722 7.5639 7.5639 7.8016 7.8016 7.9062 7.9062 7.9342 7.9342 8.0721 8.0721 9.5309 9.5309 10.0759 10.0759 10.1542 10.1542 12.3023 12.3023 12.6621 12.6621 13.1978 13.1978 k = 0.2269 0.6332 0.4345 ( 2956 PWs) bands (ev): -30.9037 -30.9037 -12.2158 -12.2158 -11.8630 -11.8630 -11.8048 -11.8048 0.0463 0.0463 0.9485 0.9485 4.5832 4.5832 6.2095 6.2095 6.5630 6.5630 6.7210 6.7210 6.9474 6.9474 7.4659 7.4659 7.5721 7.5721 7.7986 7.7986 7.9034 7.9034 7.9265 7.9265 8.0756 8.0756 9.4362 9.4362 10.0872 10.0872 10.2222 10.2222 12.2676 12.2676 12.6380 12.6380 13.2019 13.2019 k = 0.2107 0.6291 0.4392 ( 2952 PWs) bands (ev): -30.9037 -30.9037 -12.2159 -12.2159 -11.8631 -11.8631 -11.8047 -11.8047 0.0315 0.0315 0.9769 0.9769 4.5976 4.5976 6.1524 6.1524 6.5970 6.5970 6.7132 6.7132 6.9553 6.9553 7.4576 7.4576 7.5808 7.5808 7.7955 7.7955 7.9002 7.9002 7.9197 7.9197 8.0808 8.0808 9.3450 9.3450 10.0978 10.0978 10.2948 10.2948 12.2347 12.2347 12.5983 12.5983 13.2137 13.2137 k = 0.1945 0.6251 0.4438 ( 2959 PWs) bands (ev): -30.9037 -30.9037 -12.2160 -12.2160 -11.8633 -11.8633 -11.8046 -11.8046 0.0166 0.0166 1.0046 1.0046 4.6171 4.6171 6.0919 6.0919 6.6299 6.6299 6.7056 6.7056 6.9632 6.9632 7.4477 7.4477 7.5899 7.5899 7.7922 7.7922 7.8964 7.8964 7.9138 7.9138 8.0876 8.0876 9.2583 9.2583 10.1079 10.1079 10.3703 10.3703 12.2036 12.2036 12.5449 12.5449 13.2320 13.2320 k = 0.1783 0.6211 0.4485 ( 2961 PWs) bands (ev): -30.9037 -30.9037 -12.2161 -12.2161 -11.8635 -11.8635 -11.8045 -11.8045 0.0020 0.0020 1.0312 1.0312 4.6418 4.6418 6.0284 6.0284 6.6614 6.6614 6.6987 6.6987 6.9709 6.9709 7.4364 7.4364 7.5992 7.5992 7.7887 7.7887 7.8920 7.8920 7.9090 7.9090 8.0961 8.0961 9.1769 9.1769 10.1176 10.1176 10.4480 10.4480 12.1746 12.1746 12.4807 12.4807 13.2542 13.2542 k = 0.1621 0.6171 0.4531 ( 2962 PWs) bands (ev): -30.9036 -30.9036 -12.2162 -12.2162 -11.8636 -11.8636 -11.8044 -11.8044 -0.0120 -0.0120 1.0564 1.0564 4.6715 4.6715 5.9621 5.9621 6.6856 6.6856 6.6981 6.6981 6.9785 6.9785 7.4240 7.4240 7.6087 7.6087 7.7848 7.7848 7.8871 7.8871 7.9052 7.9052 8.1061 8.1061 9.1011 9.1011 10.1270 10.1270 10.5274 10.5274 12.1478 12.1478 12.4085 12.4085 13.2764 13.2764 k = 0.1459 0.6131 0.4577 ( 2962 PWs) bands (ev): -30.9036 -30.9036 -12.2163 -12.2163 -11.8638 -11.8638 -11.8043 -11.8043 -0.0251 -0.0251 1.0798 1.0798 4.7062 4.7062 5.8934 5.8934 6.6832 6.6832 6.7232 6.7232 6.9856 6.9856 7.4109 7.4109 7.6185 7.6185 7.7803 7.7803 7.8823 7.8823 7.9019 7.9019 8.1173 8.1173 9.0309 9.0309 10.1357 10.1357 10.6081 10.6081 12.1231 12.1231 12.3306 12.3306 13.2928 13.2928 k = 0.1297 0.6091 0.4624 ( 2958 PWs) bands (ev): -30.9036 -30.9036 -12.2164 -12.2164 -11.8639 -11.8639 -11.8042 -11.8042 -0.0373 -0.0373 1.1012 1.1012 4.7456 4.7456 5.8227 5.8227 6.6778 6.6778 6.7502 6.7502 6.9924 6.9924 7.3972 7.3972 7.6284 7.6284 7.7752 7.7752 7.8780 7.8780 7.8990 7.8990 8.1296 8.1296 8.9668 8.9668 10.1439 10.1439 10.6897 10.6897 12.1004 12.1004 12.2493 12.2493 13.2993 13.2993 k = 0.1135 0.6051 0.4670 ( 2958 PWs) bands (ev): -30.9036 -30.9036 -12.2164 -12.2164 -11.8640 -11.8640 -11.8042 -11.8042 -0.0482 -0.0482 1.1203 1.1203 4.7896 4.7896 5.7506 5.7506 6.6727 6.6727 6.7756 6.7756 6.9987 6.9987 7.3835 7.3835 7.6384 7.6384 7.7695 7.7695 7.8742 7.8742 7.8962 7.8962 8.1426 8.1426 8.9086 8.9086 10.1513 10.1513 10.7718 10.7718 12.0786 12.0786 12.1673 12.1673 13.2980 13.2981 k = 0.0973 0.6010 0.4717 ( 2956 PWs) bands (ev): -30.9036 -30.9036 -12.2165 -12.2165 -11.8641 -11.8641 -11.8041 -11.8041 -0.0579 -0.0579 1.1372 1.1372 4.8377 4.8377 5.6776 5.6776 6.6682 6.6682 6.7988 6.7988 7.0046 7.0046 7.3701 7.3701 7.6484 7.6484 7.7631 7.7631 7.8713 7.8713 7.8936 7.8936 8.1559 8.1559 8.8567 8.8567 10.1579 10.1579 10.8538 10.8538 12.0493 12.0493 12.0945 12.0945 13.2937 13.2943 k = 0.0811 0.5970 0.4763 ( 2960 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8642 -11.8642 -11.8040 -11.8040 -0.0662 -0.0662 1.1515 1.1515 4.8896 4.8896 5.6042 5.6042 6.6643 6.6643 6.8194 6.8194 7.0098 7.0098 7.3573 7.3573 7.6584 7.6584 7.7560 7.7560 7.8690 7.8690 7.8910 7.8910 8.1691 8.1691 8.8112 8.8112 10.1636 10.1636 10.9347 10.9347 11.9841 11.9841 12.0608 12.0608 13.2865 13.2881 k = 0.0648 0.5930 0.4809 ( 2956 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8642 -11.8642 -11.8040 -11.8040 -0.0731 -0.0731 1.1634 1.1634 4.9446 4.9446 5.5314 5.5314 6.6611 6.6611 6.8371 6.8371 7.0144 7.0144 7.3459 7.3459 7.6682 7.6682 7.7486 7.7486 7.8674 7.8674 7.8888 7.8888 8.1815 8.1815 8.7728 8.7728 10.1685 10.1685 11.0133 11.0133 11.9054 11.9054 12.0458 12.0458 13.2617 13.2716 k = 0.0486 0.5890 0.4856 ( 2954 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8039 -11.8039 -0.0785 -0.0785 1.1726 1.1726 5.0016 5.0016 5.4604 5.4604 6.6586 6.6586 6.8513 6.8513 7.0182 7.0182 7.3361 7.3361 7.6778 7.6778 7.7408 7.7408 7.8664 7.8664 7.8869 7.8869 8.1924 8.1924 8.7419 8.7419 10.1722 10.1722 11.0869 11.0869 11.8299 11.8299 12.0357 12.0357 13.2455 13.2456 k = 0.0324 0.5850 0.4902 ( 2949 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8039 -11.8039 -0.0824 -0.0824 1.1792 1.1792 5.0582 5.0582 5.3937 5.3937 6.6568 6.6568 6.8618 6.8618 7.0211 7.0211 7.3287 7.3287 7.6868 7.6868 7.7331 7.7331 7.8659 7.8659 7.8854 7.8854 8.2011 8.2011 8.7191 8.7191 10.1750 10.1750 11.1510 11.1510 11.7639 11.7639 12.0288 12.0288 13.2339 13.2339 k = 0.0162 0.5810 0.4948 ( 2943 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8038 -11.8038 -0.0848 -0.0848 1.1832 1.1832 5.1081 5.1081 5.3377 5.3377 6.6557 6.6557 6.8682 6.8682 7.0230 7.0230 7.3240 7.3240 7.6943 7.6943 7.7264 7.7264 7.8656 7.8656 7.8845 7.8845 8.2066 8.2066 8.7051 8.7051 10.1767 10.1767 11.1975 11.1975 11.7162 11.7162 12.0247 12.0247 13.2269 13.2270 k = 0.0000 0.5769 0.4995 ( 2934 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8038 -11.8038 -0.0856 -0.0856 1.1846 1.1846 5.1317 5.1317 5.3122 5.3122 6.6554 6.6554 6.8704 6.8704 7.0236 7.0236 7.3225 7.3225 7.6977 7.6977 7.7233 7.7233 7.8655 7.8655 7.8842 7.8842 8.2086 8.2086 8.7004 8.7004 10.1772 10.1772 11.2151 11.2151 11.6982 11.6982 12.0233 12.0233 13.2246 13.2254 k = 0.0000 0.5769 0.4995 ( 2934 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8038 -11.8038 -0.0856 -0.0856 1.1846 1.1846 5.1317 5.1317 5.3122 5.3122 6.6554 6.6554 6.8704 6.8704 7.0236 7.0236 7.3225 7.3225 7.6977 7.6977 7.7233 7.7233 7.8655 7.8655 7.8842 7.8842 8.2086 8.2086 8.7004 8.7004 10.1772 10.1772 11.2151 11.2151 11.6982 11.6982 12.0233 12.0233 13.2246 13.2252 k = 0.0064 0.5659 0.5123 ( 2940 PWs) bands (ev): -30.9036 -30.9036 -12.2166 -12.2166 -11.8643 -11.8643 -11.8039 -11.8039 -0.0850 -0.0850 1.1856 1.1856 5.1319 5.1319 5.3120 5.3120 6.6522 6.6522 6.8733 6.8733 7.0234 7.0234 7.3226 7.3226 7.6956 7.6956 7.7227 7.7227 7.8663 7.8663 7.8865 7.8865 8.2080 8.2080 8.7004 8.7004 10.1723 10.1723 11.2105 11.2105 11.6940 11.6940 12.0075 12.0075 13.2287 13.2287 k = 0.0128 0.5548 0.5251 ( 2946 PWs) bands (ev): -30.9036 -30.9036 -12.2167 -12.2167 -11.8644 -11.8644 -11.8040 -11.8040 -0.0833 -0.0833 1.1889 1.1889 5.1324 5.1324 5.3113 5.3113 6.6435 6.6435 6.8813 6.8813 7.0231 7.0231 7.3229 7.3229 7.6900 7.6900 7.7207 7.7207 7.8689 7.8689 7.8927 7.8927 8.2062 8.2062 8.7005 8.7005 10.1576 10.1576 11.1969 11.1969 11.6788 11.6788 11.9663 11.9663 13.2410 13.2410 k = 0.0192 0.5437 0.5379 ( 2956 PWs) bands (ev): -30.9035 -30.9035 -12.2168 -12.2168 -11.8645 -11.8645 -11.8042 -11.8042 -0.0806 -0.0806 1.1942 1.1942 5.1333 5.1333 5.3102 5.3102 6.6303 6.6303 6.8933 6.8933 7.0226 7.0226 7.3235 7.3235 7.6818 7.6818 7.7171 7.7171 7.8738 7.8738 7.9016 7.9016 8.2032 8.2032 8.7005 8.7005 10.1337 10.1337 11.1743 11.1743 11.6450 11.6450 11.9166 11.9166 13.2617 13.2617 k = 0.0256 0.5326 0.5507 ( 2956 PWs) bands (ev): -30.9035 -30.9035 -12.2169 -12.2169 -11.8646 -11.8646 -11.8044 -11.8044 -0.0767 -0.0767 1.2017 1.2017 5.1345 5.1345 5.3085 5.3085 6.6143 6.6143 6.9077 6.9077 7.0223 7.0223 7.3242 7.3242 7.6722 7.6722 7.7120 7.7120 7.8810 7.8810 7.9124 7.9124 8.1992 8.1992 8.7006 8.7006 10.1016 10.1016 11.1432 11.1432 11.5828 11.5828 11.8772 11.8772 13.2910 13.2910 k = 0.0321 0.5215 0.5635 ( 2954 PWs) bands (ev): -30.9035 -30.9035 -12.2170 -12.2170 -11.8648 -11.8648 -11.8046 -11.8046 -0.0718 -0.0718 1.2114 1.2114 5.1359 5.1359 5.3062 5.3062 6.5966 6.5966 6.9231 6.9231 7.0224 7.0224 7.3250 7.3250 7.6617 7.6617 7.7059 7.7059 7.8899 7.8899 7.9243 7.9243 8.1941 8.1941 8.7008 8.7008 10.0621 10.0621 11.1041 11.1041 11.4920 11.4920 11.8557 11.8557 13.3286 13.3286 k = 0.0385 0.5104 0.5763 ( 2960 PWs) bands (ev): -30.9034 -30.9034 -12.2172 -12.2172 -11.8650 -11.8650 -11.8050 -11.8050 -0.0658 -0.0658 1.2231 1.2231 5.1374 5.1374 5.3031 5.3031 6.5781 6.5781 6.9382 6.9382 7.0234 7.0234 7.3257 7.3257 7.6507 7.6507 7.6992 7.6992 7.8998 7.8998 7.9367 7.9367 8.1881 8.1881 8.7009 8.7009 10.0165 10.0165 11.0575 11.0575 11.3818 11.3818 11.8479 11.8479 13.3744 13.3744 k = 0.0449 0.4993 0.5891 ( 2958 PWs) bands (ev): -30.9033 -30.9033 -12.2173 -12.2173 -11.8652 -11.8652 -11.8053 -11.8053 -0.0587 -0.0587 1.2369 1.2369 5.1389 5.1389 5.2992 5.2992 6.5596 6.5596 6.9517 6.9517 7.0262 7.0262 7.3261 7.3261 7.6398 7.6398 7.6926 7.6926 7.9104 7.9104 7.9495 7.9495 8.1812 8.1812 8.7010 8.7010 9.9659 9.9659 11.0041 11.0041 11.2613 11.2613 11.8483 11.8483 13.4276 13.4276 k = 0.0513 0.4882 0.6019 ( 2960 PWs) bands (ev): -30.9033 -30.9033 -12.2176 -12.2176 -11.8655 -11.8655 -11.8057 -11.8057 -0.0507 -0.0507 1.2527 1.2527 5.1402 5.1402 5.2941 5.2941 6.5417 6.5417 6.9624 6.9624 7.0316 7.0316 7.3263 7.3263 7.6290 7.6290 7.6864 7.6864 7.9211 7.9211 7.9623 7.9623 8.1737 8.1737 8.7011 8.7011 9.9115 9.9115 10.9448 10.9448 11.1359 11.1359 11.8536 11.8536 13.4876 13.4876 k = 0.0577 0.4772 0.6147 ( 2954 PWs) bands (ev): -30.9032 -30.9032 -12.2178 -12.2178 -11.8658 -11.8658 -11.8061 -11.8061 -0.0417 -0.0417 1.2704 1.2704 5.1413 5.1413 5.2878 5.2878 6.5248 6.5248 6.9696 6.9696 7.0402 7.0402 7.3259 7.3259 7.6187 7.6187 7.6809 7.6809 7.9316 7.9316 7.9750 7.9750 8.1658 8.1658 8.7011 8.7011 9.8542 9.8542 10.8802 10.8802 11.0091 11.0091 11.8620 11.8620 13.5534 13.5534 k = 0.0641 0.4661 0.6275 ( 2956 PWs) bands (ev): -30.9031 -30.9031 -12.2180 -12.2180 -11.8662 -11.8662 -11.8066 -11.8066 -0.0318 -0.0318 1.2902 1.2902 5.1419 5.1419 5.2801 5.2801 6.5095 6.5095 6.9736 6.9736 7.0513 7.0513 7.3249 7.3249 7.6091 7.6091 7.6763 7.6763 7.9411 7.9411 7.9873 7.9873 8.1577 8.1577 8.7011 8.7011 9.7951 9.7951 10.8112 10.8112 10.8830 10.8830 11.8726 11.8726 13.6241 13.6241 k = 0.0705 0.4550 0.6404 ( 2962 PWs) bands (ev): -30.9030 -30.9030 -12.2184 -12.2184 -11.8666 -11.8666 -11.8071 -11.8071 -0.0210 -0.0210 1.3117 1.3117 5.1418 5.1418 5.2708 5.2708 6.4961 6.4961 6.9754 6.9754 7.0639 7.0639 7.3232 7.3232 7.6003 7.6003 7.6727 7.6727 7.9494 7.9494 7.9991 7.9991 8.1499 8.1499 8.7009 8.7009 9.7351 9.7351 10.7371 10.7371 10.7602 10.7602 11.8845 11.8845 13.6986 13.6986 k = 0.0769 0.4439 0.6532 ( 2966 PWs) bands (ev): -30.9029 -30.9029 -12.2187 -12.2187 -11.8671 -11.8671 -11.8076 -11.8076 -0.0094 -0.0094 1.3352 1.3352 5.1408 5.1408 5.2598 5.2598 6.4850 6.4850 6.9760 6.9760 7.0769 7.0769 7.3207 7.3207 7.5924 7.5924 7.6701 7.6701 7.9558 7.9558 8.0102 8.0102 8.1429 8.1429 8.7006 8.7006 9.6747 9.6747 10.6346 10.6346 10.6660 10.6660 11.8974 11.8974 13.7755 13.7755 k = 0.0833 0.4328 0.6660 ( 2960 PWs) bands (ev): -30.9028 -30.9028 -12.2190 -12.2190 -11.8676 -11.8676 -11.8080 -11.8080 0.0030 0.0030 1.3603 1.3603 5.1388 5.1388 5.2469 5.2469 6.4763 6.4763 6.9763 6.9763 7.0897 7.0897 7.3174 7.3174 7.5857 7.5857 7.6688 7.6688 7.9599 7.9599 8.0207 8.0207 8.1372 8.1372 8.7002 8.7002 9.6147 9.6147 10.5180 10.5180 10.5876 10.5876 11.9107 11.9107 13.8534 13.8534 k = 0.0897 0.4217 0.6788 ( 2966 PWs) bands (ev): -30.9027 -30.9027 -12.2194 -12.2194 -11.8682 -11.8682 -11.8085 -11.8085 0.0161 0.0161 1.3871 1.3871 5.1355 5.1355 5.2321 5.2321 6.4704 6.4704 6.9766 6.9766 7.1017 7.1017 7.3134 7.3134 7.5800 7.5800 7.6684 7.6684 7.9610 7.9610 8.0305 8.0305 8.1333 8.1333 8.6996 8.6996 9.5555 9.5555 10.4050 10.4050 10.5084 10.5084 11.9240 11.9240 13.9302 13.9302 k = 0.0962 0.4106 0.6916 ( 2958 PWs) bands (ev): -30.9026 -30.9026 -12.2197 -12.2197 -11.8688 -11.8688 -11.8089 -11.8089 0.0299 0.0299 1.4155 1.4155 5.1307 5.1307 5.2153 5.2153 6.4675 6.4675 6.9771 6.9771 7.1127 7.1127 7.3086 7.3086 7.5756 7.5756 7.6691 7.6691 7.9588 7.9588 8.0395 8.0395 8.1316 8.1316 8.6988 8.6988 9.4975 9.4975 10.2968 10.2968 10.4282 10.4282 11.9368 11.9368 14.0029 14.0029 k = 0.1026 0.3995 0.7044 ( 2954 PWs) bands (ev): -30.9025 -30.9025 -12.2201 -12.2201 -11.8694 -11.8694 -11.8093 -11.8093 0.0442 0.0442 1.4454 1.4454 5.1243 5.1243 5.1966 5.1966 6.4677 6.4677 6.9782 6.9782 7.1225 7.1225 7.3031 7.3031 7.5724 7.5724 7.6705 7.6705 7.9532 7.9532 8.0480 8.0480 8.1321 8.1321 8.6977 8.6977 9.4412 9.4412 10.1938 10.1938 10.3476 10.3476 11.9487 11.9487 14.0682 14.0682 k = 0.1090 0.3885 0.7172 ( 2944 PWs) bands (ev): -30.9023 -30.9023 -12.2205 -12.2205 -11.8701 -11.8701 -11.8096 -11.8096 0.0590 0.0590 1.4766 1.4766 5.1160 5.1160 5.1760 5.1760 6.4711 6.4711 6.9800 6.9800 7.1310 7.1310 7.2971 7.2971 7.5703 7.5703 7.6726 7.6726 7.9445 7.9445 8.0559 8.0559 8.1346 8.1346 8.6964 8.6964 9.3867 9.3867 10.0965 10.0965 10.2670 10.2670 11.9591 11.9591 14.1244 14.1244 k = 0.1154 0.3774 0.7300 ( 2944 PWs) bands (ev): -30.9022 -30.9022 -12.2210 -12.2210 -11.8708 -11.8708 -11.8100 -11.8100 0.0742 0.0742 1.5091 1.5091 5.1056 5.1056 5.1537 5.1537 6.4775 6.4775 6.9825 6.9825 7.1382 7.1382 7.2905 7.2905 7.5692 7.5692 7.6750 7.6750 7.9333 7.9333 8.0634 8.0634 8.1385 8.1385 8.6947 8.6947 9.3340 9.3340 10.0049 10.0049 10.1869 10.1869 11.9675 11.9675 14.1720 14.1720 k = 0.1218 0.3663 0.7428 ( 2942 PWs) bands (ev): -30.9021 -30.9021 -12.2214 -12.2214 -11.8715 -11.8715 -11.8103 -11.8103 0.0898 0.0898 1.5426 1.5426 5.0929 5.0929 5.1300 5.1300 6.4871 6.4871 6.9859 6.9859 7.1442 7.1442 7.2836 7.2836 7.5691 7.5691 7.6776 7.6776 7.9200 7.9200 8.0706 8.0706 8.1435 8.1435 8.6926 8.6926 9.2834 9.2834 9.9194 9.9194 10.1076 10.1076 11.9734 11.9734 14.2134 14.2134 k = 0.1282 0.3552 0.7556 ( 2942 PWs) bands (ev): -30.9020 -30.9020 -12.2219 -12.2219 -11.8723 -11.8723 -11.8106 -11.8106 0.1056 0.1056 1.5771 1.5771 5.0776 5.0776 5.1054 5.1054 6.4997 6.4997 6.9902 6.9902 7.1489 7.1489 7.2765 7.2765 7.5697 7.5697 7.6801 7.6801 7.9053 7.9053 8.0777 8.0777 8.1492 8.1492 8.6902 8.6902 9.2348 9.2348 9.8400 9.8400 10.0297 10.0297 11.9764 11.9764 14.2507 14.2515 k = 0.1346 0.3441 0.7684 ( 2944 PWs) bands (ev): -30.9018 -30.9018 -12.2224 -12.2224 -11.8731 -11.8731 -11.8109 -11.8109 0.1215 0.1215 1.6124 1.6124 5.0593 5.0593 5.0806 5.0806 6.5152 6.5152 6.9954 6.9954 7.1524 7.1524 7.2691 7.2691 7.5709 7.5709 7.6824 7.6824 7.8895 7.8895 8.0848 8.0848 8.1553 8.1553 8.6874 8.6874 9.1882 9.1882 9.7667 9.7667 9.9536 9.9536 11.9758 11.9758 14.2503 14.2504 k = 0.1410 0.3330 0.7812 ( 2948 PWs) bands (ev): -30.9017 -30.9017 -12.2229 -12.2229 -11.8740 -11.8740 -11.8111 -11.8111 0.1375 0.1375 1.6483 1.6483 5.0374 5.0374 5.0564 5.0564 6.5334 6.5334 7.0014 7.0014 7.1549 7.1549 7.2617 7.2617 7.5724 7.5724 7.6841 7.6841 7.8731 7.8731 8.0920 8.0920 8.1615 8.1615 8.6842 8.6842 9.1434 9.1434 9.6995 9.6995 9.8798 9.8798 11.9715 11.9715 14.2112 14.2112 k = 0.1474 0.3219 0.7940 ( 2946 PWs) bands (ev): -30.9016 -30.9016 -12.2234 -12.2234 -11.8748 -11.8748 -11.8113 -11.8113 0.1534 0.1534 1.6846 1.6846 5.0122 5.0122 5.0329 5.0329 6.5541 6.5541 7.0083 7.0083 7.1566 7.1566 7.2544 7.2544 7.5741 7.5741 7.6852 7.6852 7.8563 7.8563 8.0996 8.0996 8.1680 8.1680 8.6805 8.6805 9.1002 9.1002 9.6383 9.6383 9.8088 9.8088 11.9632 11.9632 14.1796 14.1796 k = 0.1538 0.3109 0.8068 ( 2946 PWs) bands (ev): -30.9015 -30.9015 -12.2239 -12.2239 -11.8756 -11.8756 -11.8114 -11.8114 0.1691 0.1691 1.7210 1.7210 4.9851 4.9851 5.0093 5.0093 6.5771 6.5771 7.0158 7.0158 7.1575 7.1575 7.2472 7.2472 7.5756 7.5756 7.6855 7.6855 7.8395 7.8395 8.1077 8.1077 8.1746 8.1746 8.6763 8.6763 9.0584 9.0584 9.5830 9.5830 9.7410 9.7410 11.9508 11.9508 14.1566 14.1566 k = 0.1603 0.2998 0.8197 ( 2946 PWs) bands (ev): -30.9014 -30.9014 -12.2244 -12.2244 -11.8764 -11.8764 -11.8116 -11.8116 0.1846 0.1846 1.7573 1.7573 4.9573 4.9573 4.9848 4.9848 6.6021 6.6021 7.0240 7.0240 7.1578 7.1578 7.2400 7.2400 7.5769 7.5769 7.6849 7.6849 7.8227 7.8227 8.1165 8.1165 8.1815 8.1815 8.6716 8.6716 9.0178 9.0178 9.5332 9.5332 9.6768 9.6768 11.9345 11.9345 14.1428 14.1428 k = 0.1667 0.2887 0.8325 ( 2946 PWs) bands (ev): -30.9013 -30.9013 -12.2248 -12.2248 -11.8772 -11.8772 -11.8117 -11.8117 0.1996 0.1996 1.7933 1.7933 4.9294 4.9294 4.9595 4.9595 6.6287 6.6287 7.0327 7.0327 7.1577 7.1577 7.2330 7.2330 7.5778 7.5778 7.6834 7.6834 7.8062 7.8062 8.1260 8.1260 8.1886 8.1886 8.6664 8.6664 8.9782 8.9782 9.4887 9.4887 9.6168 9.6168 11.9147 11.9147 14.1386 14.1386 k = 0.1731 0.2776 0.8453 ( 2942 PWs) bands (ev): -30.9012 -30.9012 -12.2253 -12.2253 -11.8779 -11.8779 -11.8117 -11.8117 0.2141 0.2141 1.8287 1.8287 4.9020 4.9020 4.9335 4.9335 6.6568 6.6568 7.0415 7.0415 7.1571 7.1571 7.2263 7.2263 7.5781 7.5781 7.6810 7.6810 7.7902 7.7902 8.1363 8.1363 8.1962 8.1962 8.6608 8.6608 8.9392 8.9392 9.4493 9.4493 9.5613 9.5613 11.8919 11.8919 14.1437 14.1437 k = 0.1795 0.2665 0.8581 ( 2946 PWs) bands (ev): -30.9011 -30.9011 -12.2257 -12.2257 -11.8787 -11.8787 -11.8118 -11.8118 0.2280 0.2280 1.8631 1.8631 4.8754 4.8754 4.9071 4.9071 6.6859 6.6859 7.0505 7.0505 7.1564 7.1564 7.2197 7.2197 7.5779 7.5779 7.6777 7.6777 7.7745 7.7745 8.1474 8.1474 8.2042 8.2042 8.6546 8.6546 8.9008 8.9008 9.4145 9.4145 9.5106 9.5106 11.8668 11.8668 14.1580 14.1580 k = 0.1859 0.2554 0.8709 ( 2950 PWs) bands (ev): -30.9010 -30.9010 -12.2262 -12.2262 -11.8794 -11.8794 -11.8118 -11.8118 0.2411 0.2411 1.8962 1.8962 4.8501 4.8501 4.8807 4.8807 6.7156 6.7156 7.0593 7.0593 7.1555 7.1555 7.2134 7.2134 7.5770 7.5770 7.6735 7.6735 7.7593 7.7593 8.1593 8.1593 8.2128 8.2128 8.6479 8.6479 8.8630 8.8630 9.3839 9.3839 9.4649 9.4649 11.8401 11.8401 14.1807 14.1807 k = 0.1923 0.2443 0.8837 ( 2948 PWs) bands (ev): -30.9009 -30.9009 -12.2266 -12.2266 -11.8800 -11.8800 -11.8119 -11.8119 0.2534 0.2534 1.9278 1.9278 4.8262 4.8262 4.8547 4.8547 6.7456 6.7456 7.0678 7.0678 7.1547 7.1547 7.2074 7.2074 7.5758 7.5758 7.6688 7.6688 7.7449 7.7449 8.1718 8.1718 8.2220 8.2220 8.6409 8.6409 8.8257 8.8257 9.3574 9.3574 9.4246 9.4246 11.8127 11.8127 14.2112 14.2112 k = 0.1987 0.2332 0.8965 ( 2944 PWs) bands (ev): -30.9008 -30.9008 -12.2269 -12.2269 -11.8806 -11.8806 -11.8118 -11.8118 0.2647 0.2647 1.9573 1.9573 4.8040 4.8040 4.8297 4.8297 6.7753 6.7753 7.0758 7.0758 7.1539 7.1539 7.2017 7.2017 7.5741 7.5741 7.6634 7.6634 7.7312 7.7312 8.1849 8.1849 8.2317 8.2317 8.6335 8.6335 8.7893 8.7893 9.3345 9.3345 9.3894 9.3894 11.7855 11.7855 14.2487 14.2487 k = 0.2051 0.2222 0.9093 ( 2950 PWs) bands (ev): -30.9007 -30.9007 -12.2273 -12.2273 -11.8811 -11.8811 -11.8119 -11.8119 0.2749 0.2749 1.9846 1.9846 4.7838 4.7838 4.8061 4.8061 6.8042 6.8042 7.0829 7.0829 7.1533 7.1533 7.1962 7.1962 7.5722 7.5722 7.6575 7.6575 7.7185 7.7185 8.1984 8.1984 8.2416 8.2416 8.6258 8.6258 8.7542 8.7542 9.3149 9.3149 9.3594 9.3594 11.7593 11.7593 14.2921 14.2921 k = 0.2115 0.2111 0.9221 ( 2942 PWs) bands (ev): -30.9007 -30.9007 -12.2276 -12.2276 -11.8816 -11.8816 -11.8118 -11.8118 0.2840 0.2840 2.0091 2.0091 4.7658 4.7658 4.7845 4.7845 6.8318 6.8318 7.0891 7.0891 7.1530 7.1530 7.1911 7.1911 7.5702 7.5702 7.6512 7.6512 7.7071 7.7071 8.2122 8.2122 8.2515 8.2515 8.6181 8.6181 8.7209 8.7209 9.2982 9.2982 9.3345 9.3345 11.7349 11.7349 14.3402 14.3402 k = 0.2179 0.2000 0.9349 ( 2942 PWs) bands (ev): -30.9006 -30.9006 -12.2278 -12.2278 -11.8820 -11.8820 -11.8118 -11.8118 0.2919 0.2919 2.0305 2.0305 4.7501 4.7501 4.7654 4.7654 6.8573 6.8573 7.0941 7.0941 7.1530 7.1530 7.1864 7.1864 7.5683 7.5683 7.6447 7.6447 7.6972 7.6972 8.2259 8.2259 8.2609 8.2609 8.6105 8.6105 8.6903 8.6903 9.2843 9.2843 9.3142 9.3142 11.7129 11.7129 14.3916 14.3916 k = 0.2244 0.1889 0.9477 ( 2938 PWs) bands (ev): -30.9006 -30.9006 -12.2280 -12.2280 -11.8823 -11.8823 -11.8118 -11.8118 0.2984 0.2984 2.0486 2.0486 4.7369 4.7369 4.7492 4.7492 6.8799 6.8799 7.0979 7.0979 7.1535 7.1535 7.1820 7.1820 7.5665 7.5665 7.6383 7.6383 7.6892 7.6892 8.2393 8.2393 8.2692 8.2692 8.6031 8.6031 8.6634 8.6634 9.2728 9.2728 9.2985 9.2985 11.6941 11.6941 14.4442 14.4442 k = 0.2308 0.1778 0.9605 ( 2940 PWs) bands (ev): -30.9005 -30.9005 -12.2282 -12.2282 -11.8826 -11.8826 -11.8118 -11.8118 0.3036 0.3036 2.0630 2.0630 4.7262 4.7262 4.7364 4.7364 6.8989 6.8989 7.1003 7.1003 7.1544 7.1544 7.1781 7.1781 7.5651 7.5651 7.6323 7.6323 7.6830 7.6830 8.2517 8.2517 8.2758 8.2758 8.5960 8.5960 8.6414 8.6414 9.2637 9.2637 9.2868 9.2868 11.6789 11.6789 14.4951 14.4951 k = 0.2372 0.1667 0.9733 ( 2944 PWs) bands (ev): -30.9005 -30.9005 -12.2283 -12.2283 -11.8828 -11.8828 -11.8118 -11.8118 0.3073 0.3073 2.0735 2.0735 4.7183 4.7183 4.7272 4.7272 6.9134 6.9134 7.1017 7.1017 7.1554 7.1554 7.1750 7.1750 7.5640 7.5640 7.6274 7.6274 7.6786 7.6786 8.2623 8.2623 8.2801 8.2801 8.5895 8.5895 8.6254 8.6254 9.2571 9.2571 9.2789 9.2789 11.6678 11.6678 14.5396 14.5396 k = 0.2436 0.1556 0.9861 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3095 0.3095 2.0798 2.0798 4.7133 4.7133 4.7218 4.7218 6.9224 6.9224 7.1024 7.1024 7.1564 7.1564 7.1729 7.1729 7.5634 7.5634 7.6243 7.6243 7.6761 7.6761 8.2702 8.2702 8.2820 8.2820 8.5847 8.5847 8.6162 8.6162 9.2532 9.2532 9.2744 9.2744 11.6610 11.6610 14.5711 14.5711 k = 0.2500 0.1445 0.9990 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3103 0.3103 2.0819 2.0819 4.7116 4.7116 4.7200 4.7200 6.9256 6.9256 7.1025 7.1025 7.1568 7.1568 7.1721 7.1721 7.5631 7.5631 7.6232 7.6232 7.6753 7.6753 8.2735 8.2735 8.2821 8.2821 8.5828 8.5828 8.6132 8.6132 9.2518 9.2518 9.2729 9.2729 11.6587 11.6587 14.5827 14.5827 k = 0.2500 0.1445 0.9990 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3103 0.3103 2.0819 2.0819 4.7116 4.7116 4.7200 4.7200 6.9256 6.9256 7.1025 7.1025 7.1568 7.1568 7.1721 7.1721 7.5631 7.5631 7.6232 7.6232 7.6753 7.6753 8.2735 8.2735 8.2821 8.2821 8.5828 8.5828 8.6132 8.6132 9.2518 9.2518 9.2729 9.2729 11.6587 11.6587 14.5827 14.5827 k = 0.2632 0.1521 0.9902 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3101 0.3101 2.0815 2.0815 4.7018 4.7018 4.7310 4.7310 6.9222 6.9222 7.0961 7.0961 7.1597 7.1597 7.1779 7.1779 7.5629 7.5629 7.6225 7.6225 7.6763 7.6763 8.2726 8.2726 8.2822 8.2822 8.5694 8.5694 8.6288 8.6288 9.2520 9.2520 9.2731 9.2731 11.6618 11.6618 14.5803 14.5803 k = 0.2763 0.1598 0.9814 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3096 0.3096 2.0800 2.0800 4.6911 4.6911 4.7451 4.7451 6.9122 6.9122 7.0805 7.0805 7.1677 7.1677 7.1923 7.1923 7.5622 7.5622 7.6207 7.6207 7.6789 7.6789 8.2702 8.2702 8.2823 8.2823 8.5480 8.5480 8.6568 8.6568 9.2517 9.2517 9.2747 9.2747 11.6706 11.6706 14.5748 14.5748 k = 0.2895 0.1674 0.9726 ( 2948 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8828 -11.8828 -11.8118 -11.8118 0.3089 0.3089 2.0772 2.0772 4.6813 4.6813 4.7609 4.7609 6.8960 6.8960 7.0619 7.0619 7.1792 7.1792 7.2103 7.2103 7.5610 7.5610 7.6180 7.6180 7.6825 7.6825 8.2665 8.2665 8.2822 8.2822 8.5272 8.5272 8.6887 8.6887 9.2506 9.2506 9.2777 9.2777 11.6850 11.6850 14.5680 14.5680 k = 0.3026 0.1750 0.9638 ( 2951 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8828 -11.8828 -11.8118 -11.8118 0.3081 0.3081 2.0730 2.0730 4.6725 4.6725 4.7783 4.7783 6.8748 6.8748 7.0425 7.0425 7.1934 7.1934 7.2294 7.2294 7.5593 7.5593 7.6146 7.6146 7.6870 7.6870 8.2620 8.2620 8.2821 8.2821 8.5086 8.5086 8.7232 8.7232 9.2489 9.2489 9.2821 9.2821 11.7046 11.7046 14.5609 14.5609 k = 0.3158 0.1826 0.9550 ( 2949 PWs) bands (ev): -30.9005 -30.9005 -12.2283 -12.2283 -11.8827 -11.8827 -11.8118 -11.8118 0.3072 0.3072 2.0671 2.0671 4.6649 4.6649 4.7975 4.7975 6.8495 6.8495 7.0232 7.0232 7.2092 7.2092 7.2487 7.2487 7.5571 7.5571 7.6108 7.6108 7.6918 7.6918 8.2567 8.2567 8.2818 8.2818 8.4926 8.4926 8.7598 8.7598 9.2469 9.2469 9.2879 9.2879 11.7288 11.7288 14.5545 14.5545 k = 0.3289 0.1902 0.9462 ( 2953 PWs) bands (ev): -30.9005 -30.9005 -12.2283 -12.2283 -11.8826 -11.8826 -11.8119 -11.8119 0.3064 0.3064 2.0594 2.0594 4.6584 4.6584 4.8184 4.8184 6.8211 6.8211 7.0046 7.0046 7.2259 7.2259 7.2679 7.2679 7.5543 7.5543 7.6066 7.6066 7.6964 7.6964 8.2506 8.2506 8.2815 8.2815 8.4798 8.4798 8.7980 8.7980 9.2445 9.2445 9.2944 9.2944 11.7573 11.7573 14.5489 14.5489 k = 0.3421 0.1978 0.9374 ( 2953 PWs) bands (ev): -30.9006 -30.9006 -12.2282 -12.2282 -11.8825 -11.8825 -11.8119 -11.8119 0.3057 0.3057 2.0497 2.0497 4.6531 4.6531 4.8411 4.8411 6.7905 6.7905 6.9868 6.9868 7.2430 7.2430 7.2866 7.2866 7.5510 7.5510 7.6023 7.6023 7.7008 7.7008 8.2439 8.2439 8.2811 8.2811 8.4702 8.4702 8.8374 8.8374 9.2421 9.2421 9.3018 9.3018 11.7894 11.7894 14.5442 14.5442 k = 0.3553 0.2054 0.9287 ( 2955 PWs) bands (ev): -30.9006 -30.9006 -12.2281 -12.2281 -11.8824 -11.8824 -11.8119 -11.8119 0.3052 0.3052 2.0380 2.0380 4.6491 4.6491 4.8655 4.8655 6.7582 6.7582 6.9699 6.9699 7.2598 7.2598 7.3050 7.3050 7.5471 7.5471 7.5979 7.5979 7.7046 7.7046 8.2366 8.2366 8.2807 8.2807 8.4643 8.4643 8.8777 8.8777 9.2398 9.2398 9.3098 9.3098 11.8245 11.8245 14.5211 14.5336 k = 0.3684 0.2130 0.9199 ( 2956 PWs) bands (ev): -30.9006 -30.9006 -12.2280 -12.2280 -11.8822 -11.8822 -11.8119 -11.8119 0.3049 0.3049 2.0243 2.0243 4.6464 4.6464 4.8916 4.8916 6.7248 6.7248 6.9541 6.9541 7.2762 7.2762 7.3227 7.3227 7.5428 7.5428 7.5934 7.5934 7.7076 7.7076 8.2289 8.2289 8.2803 8.2803 8.4621 8.4621 8.9184 8.9184 9.2375 9.2375 9.3184 9.3184 11.8618 11.8618 14.4610 14.4649 k = 0.3816 0.2206 0.9111 ( 2956 PWs) bands (ev): -30.9006 -30.9006 -12.2279 -12.2279 -11.8820 -11.8820 -11.8119 -11.8119 0.3049 0.3049 2.0085 2.0085 4.6451 4.6451 4.9191 4.9191 6.6909 6.6909 6.9393 6.9393 7.2919 7.2919 7.3400 7.3400 7.5379 7.5379 7.5889 7.5889 7.7097 7.7097 8.2208 8.2208 8.2798 8.2798 8.4637 8.4637 8.9590 8.9590 9.2357 9.2357 9.3275 9.3275 11.9006 11.9006 14.4121 14.4887 k = 0.3947 0.2282 0.9023 ( 2957 PWs) bands (ev): -30.9006 -30.9006 -12.2278 -12.2278 -11.8819 -11.8819 -11.8120 -11.8120 0.3051 0.3051 1.9906 1.9906 4.6450 4.6450 4.9480 4.9480 6.6569 6.6569 6.9256 6.9256 7.3066 7.3066 7.3566 7.3566 7.5326 7.5326 7.5846 7.5846 7.7109 7.7109 8.2124 8.2124 8.2794 8.2794 8.4690 8.4690 8.9990 8.9990 9.2344 9.2344 9.3370 9.3370 11.9398 11.9398 14.3647 14.3651 k = 0.4079 0.2358 0.8935 ( 2953 PWs) bands (ev): -30.9007 -30.9007 -12.2276 -12.2276 -11.8816 -11.8816 -11.8120 -11.8120 0.3056 0.3056 1.9708 1.9708 4.6464 4.6464 4.9779 4.9779 6.6232 6.6232 6.9131 6.9131 7.3202 7.3202 7.3727 7.3727 7.5269 7.5269 7.5804 7.5804 7.7113 7.7113 8.2036 8.2036 8.2789 8.2789 8.4781 8.4781 9.0376 9.0376 9.2344 9.2344 9.3470 9.3470 11.9785 11.9785 14.3446 14.3472 k = 0.4211 0.2434 0.8847 ( 2951 PWs) bands (ev): -30.9007 -30.9007 -12.2275 -12.2275 -11.8814 -11.8814 -11.8120 -11.8120 0.3063 0.3063 1.9491 1.9491 4.6491 4.6491 5.0087 5.0087 6.5901 6.5901 6.9020 6.9020 7.3325 7.3325 7.3881 7.3881 7.5208 7.5208 7.5765 7.5765 7.7107 7.7107 8.1946 8.1946 8.2783 8.2783 8.4908 8.4908 9.0736 9.0736 9.2363 9.2363 9.3575 9.3575 12.0154 12.0154 14.2770 14.2771 k = 0.4342 0.2510 0.8759 ( 2948 PWs) bands (ev): -30.9007 -30.9007 -12.2273 -12.2273 -11.8811 -11.8811 -11.8120 -11.8120 0.3073 0.3073 1.9258 1.9258 4.6533 4.6533 5.0399 5.0399 6.5580 6.5580 6.8921 6.8921 7.3433 7.3433 7.4029 7.4029 7.5143 7.5143 7.5730 7.5730 7.7095 7.7095 8.1853 8.1853 8.2777 8.2777 8.5066 8.5066 9.1053 9.1053 9.2415 9.2415 9.3686 9.3686 12.0493 12.0493 14.2130 14.2130 k = 0.4474 0.2586 0.8671 ( 2948 PWs) bands (ev): -30.9007 -30.9007 -12.2272 -12.2272 -11.8809 -11.8809 -11.8120 -11.8120 0.3084 0.3084 1.9010 1.9010 4.6589 4.6589 5.0713 5.0713 6.5271 6.5271 6.8838 6.8838 7.3523 7.3523 7.4170 7.4170 7.5074 7.5074 7.5702 7.5702 7.7077 7.7077 8.1759 8.1759 8.2770 8.2770 8.5255 8.5255 9.1306 9.1306 9.2521 9.2521 9.3803 9.3803 12.0791 12.0791 14.1571 14.1571 k = 0.4605 0.2663 0.8584 ( 2950 PWs) bands (ev): -30.9008 -30.9008 -12.2270 -12.2270 -11.8806 -11.8806 -11.8121 -11.8121 0.3096 0.3096 1.8749 1.8749 4.6660 4.6660 5.1024 5.1024 6.4976 6.4976 6.8770 6.8770 7.3593 7.3593 7.4303 7.4303 7.5004 7.5004 7.5683 7.5683 7.7055 7.7055 8.1664 8.1664 8.2762 8.2762 8.5469 8.5469 9.1478 9.1478 9.2693 9.2693 9.3928 9.3928 12.1035 12.1035 14.1107 14.1107 k = 0.4737 0.2739 0.8496 ( 2950 PWs) bands (ev): -30.9008 -30.9008 -12.2268 -12.2268 -11.8803 -11.8803 -11.8121 -11.8121 0.3107 0.3107 1.8478 1.8478 4.6745 4.6745 5.1330 5.1330 6.4699 6.4699 6.8718 6.8718 7.3640 7.3640 7.4424 7.4424 7.4934 7.4934 7.5675 7.5675 7.7030 7.7030 8.1569 8.1569 8.2754 8.2754 8.5705 8.5705 9.1576 9.1576 9.2923 9.2923 9.4063 9.4063 12.1217 12.1217 14.0749 14.0749 k = 0.4868 0.2815 0.8408 ( 2958 PWs) bands (ev): -30.9009 -30.9009 -12.2267 -12.2267 -11.8800 -11.8800 -11.8122 -11.8122 0.3116 0.3116 1.8201 1.8201 4.6846 4.6846 5.1625 5.1625 6.4441 6.4441 6.8683 6.8683 7.3663 7.3663 7.4523 7.4523 7.4873 7.4873 7.5680 7.5680 7.7005 7.7005 8.1474 8.1474 8.2746 8.2746 8.5958 8.5958 9.1621 9.1621 9.3185 9.3185 9.4212 9.4212 12.1327 12.1327 14.0501 14.0501 k = 0.5000 0.2891 0.8320 ( 2960 PWs) bands (ev): -30.9009 -30.9009 -12.2265 -12.2265 -11.8797 -11.8797 -11.8123 -11.8123 0.3123 0.3123 1.7921 1.7921 4.6961 4.6961 5.1906 5.1906 6.4203 6.4203 6.8667 6.8667 7.3660 7.3660 7.4571 7.4571 7.4853 7.4853 7.5700 7.5700 7.6981 7.6981 8.1381 8.1381 8.2738 8.2738 8.6221 8.6221 9.1637 9.1637 9.3456 9.3456 9.4375 9.4375 12.1365 12.1365 14.0364 14.0364 k = 0.5000 0.2891 0.8320 ( 2960 PWs) bands (ev): -30.9009 -30.9009 -12.2265 -12.2265 -11.8797 -11.8797 -11.8123 -11.8123 0.3123 0.3123 1.7921 1.7921 4.6961 4.6961 5.1906 5.1906 6.4203 6.4203 6.8667 6.8667 7.3660 7.3660 7.4571 7.4571 7.4853 7.4853 7.5700 7.5700 7.6981 7.6981 8.1381 8.1381 8.2738 8.2738 8.6221 8.6221 9.1637 9.1637 9.3456 9.3456 9.4375 9.4375 12.1365 12.1365 14.0364 14.0364 k = 0.5000 0.2891 0.8139 ( 2960 PWs) bands (ev): -30.9010 -30.9010 -12.2260 -12.2260 -11.8790 -11.8790 -11.8123 -11.8123 0.3130 0.3130 1.7326 1.7326 4.7226 4.7226 5.2481 5.2481 6.3730 6.3730 6.8649 6.8649 7.3618 7.3618 7.4581 7.4581 7.4890 7.4890 7.5762 7.5762 7.6934 7.6934 8.1196 8.1196 8.2721 8.2721 8.6792 8.6792 9.1650 9.1650 9.4029 9.4029 9.4755 9.4755 12.1369 12.1369 14.0142 14.0143 k = 0.5000 0.2891 0.7958 ( 2958 PWs) bands (ev): -30.9011 -30.9011 -12.2255 -12.2255 -11.8782 -11.8782 -11.8124 -11.8124 0.3136 0.3136 1.6704 1.6704 4.7519 4.7519 5.3075 5.3075 6.3249 6.3249 6.8624 6.8624 7.3560 7.3560 7.4572 7.4572 7.4951 7.4951 7.5835 7.5835 7.6884 7.6884 8.1027 8.1027 8.2703 8.2703 8.7399 8.7399 9.1667 9.1667 9.4627 9.4627 9.5183 9.5183 12.1379 12.1379 13.9825 13.9826 k = 0.5000 0.2891 0.7777 ( 2962 PWs) bands (ev): -30.9012 -30.9012 -12.2250 -12.2250 -11.8773 -11.8773 -11.8125 -11.8125 0.3139 0.3139 1.6059 1.6059 4.7837 4.7837 5.3682 5.3682 6.2766 6.2766 6.8594 6.8594 7.3482 7.3482 7.4544 7.4544 7.5034 7.5034 7.5918 7.5918 7.6834 7.6834 8.0876 8.0876 8.2683 8.2683 8.8038 8.8038 9.1686 9.1686 9.5248 9.5248 9.5663 9.5663 12.1395 12.1395 13.9425 13.9425 k = 0.5000 0.2891 0.7597 ( 2954 PWs) bands (ev): -30.9013 -30.9013 -12.2244 -12.2244 -11.8763 -11.8763 -11.8126 -11.8126 0.3139 0.3139 1.5397 1.5397 4.8181 4.8181 5.4297 5.4297 6.2284 6.2284 6.8561 6.8561 7.3387 7.3387 7.4501 7.4501 7.5135 7.5135 7.6010 7.6010 7.6785 7.6785 8.0746 8.0746 8.2664 8.2664 8.8706 8.8706 9.1710 9.1710 9.5885 9.5885 9.6201 9.6201 12.1418 12.1418 13.8954 13.8954 k = 0.5000 0.2891 0.7416 ( 2950 PWs) bands (ev): -30.9014 -30.9014 -12.2237 -12.2237 -11.8753 -11.8753 -11.8127 -11.8127 0.3135 0.3135 1.4722 1.4722 4.8552 4.8552 5.4914 5.4914 6.1806 6.1806 6.8528 6.8528 7.3274 7.3274 7.4443 7.4443 7.5247 7.5247 7.6111 7.6111 7.6741 7.6741 8.0638 8.0638 8.2643 8.2643 8.9395 8.9395 9.1743 9.1743 9.6534 9.6534 9.6798 9.6798 12.1451 12.1451 13.8424 13.8425 k = 0.5000 0.2891 0.7235 ( 2952 PWs) bands (ev): -30.9016 -30.9016 -12.2231 -12.2231 -11.8743 -11.8743 -11.8128 -11.8128 0.3125 0.3125 1.4038 1.4038 4.8947 4.8947 5.5528 5.5528 6.1336 6.1336 6.8495 6.8495 7.3144 7.3144 7.4374 7.4374 7.5363 7.5363 7.6218 7.6218 7.6707 7.6707 8.0553 8.0553 8.2622 8.2622 9.0094 9.0094 9.1793 9.1793 9.7201 9.7201 9.7450 9.7450 12.1493 12.1493 13.7847 13.7847 k = 0.5000 0.2891 0.7054 ( 2948 PWs) bands (ev): -30.9017 -30.9017 -12.2224 -12.2224 -11.8731 -11.8731 -11.8129 -11.8129 0.3111 0.3111 1.3348 1.3348 4.9368 4.9368 5.6134 5.6134 6.0876 6.0876 6.8466 6.8466 7.2998 7.2998 7.4295 7.4295 7.5475 7.5475 7.6332 7.6332 7.6692 7.6692 8.0491 8.0491 8.2599 8.2599 9.0768 9.0768 9.1895 9.1895 9.7896 9.7896 9.8145 9.8145 12.1548 12.1548 13.7230 13.7230 k = 0.5000 0.2891 0.6873 ( 2948 PWs) bands (ev): -30.9019 -30.9019 -12.2216 -12.2216 -11.8719 -11.8719 -11.8130 -11.8130 0.3090 0.3090 1.2656 1.2656 4.9813 4.9813 5.6730 5.6730 6.0429 6.0429 6.8440 6.8440 7.2838 7.2838 7.4207 7.4207 7.5572 7.5572 7.6446 7.6446 7.6709 7.6709 8.0452 8.0452 8.2577 8.2577 9.1292 9.1292 9.2172 9.2172 9.8629 9.8629 9.8872 9.8872 12.1615 12.1615 13.6582 13.6582 k = 0.5000 0.2891 0.6692 ( 2960 PWs) bands (ev): -30.9020 -30.9020 -12.2209 -12.2209 -11.8708 -11.8708 -11.8131 -11.8131 0.3062 0.3062 1.1965 1.1965 5.0282 5.0282 5.7311 5.7311 5.9998 5.9998 6.8420 6.8420 7.2664 7.2664 7.4111 7.4111 7.5640 7.5640 7.6560 7.6560 7.6770 7.6770 8.0434 8.0434 8.2555 8.2555 9.1529 9.1529 9.2758 9.2758 9.9404 9.9404 9.9624 9.9624 12.1698 12.1698 13.5908 13.5908 k = 0.5000 0.2891 0.6511 ( 2956 PWs) bands (ev): -30.9022 -30.9022 -12.2201 -12.2201 -11.8694 -11.8694 -11.8132 -11.8132 0.3026 0.3026 1.1276 1.1276 5.0776 5.0776 5.7874 5.7874 5.9585 5.9585 6.8407 6.8407 7.2479 7.2479 7.4008 7.4008 7.5670 7.5670 7.6684 7.6684 7.6878 7.6878 8.0438 8.0438 8.2534 8.2534 9.1622 9.1622 9.3512 9.3512 10.0224 10.0224 10.0400 10.0400 12.1798 12.1798 13.5218 13.5218 k = 0.5000 0.2891 0.6330 ( 2952 PWs) bands (ev): -30.9023 -30.9023 -12.2193 -12.2193 -11.8681 -11.8681 -11.8133 -11.8133 0.2983 0.2983 1.0592 1.0592 5.1292 5.1292 5.8410 5.8410 5.9200 5.9200 6.8403 6.8403 7.2284 7.2284 7.3898 7.3898 7.5664 7.5664 7.6826 7.6826 7.7020 7.7020 8.0460 8.0460 8.2515 8.2515 9.1671 9.1671 9.4328 9.4328 10.1082 10.1082 10.1202 10.1202 12.1917 12.1917 13.4515 13.4515 k = 0.5000 0.2891 0.6150 ( 2952 PWs) bands (ev): -30.9025 -30.9025 -12.2185 -12.2185 -11.8667 -11.8667 -11.8134 -11.8134 0.2931 0.2931 0.9915 0.9915 5.1831 5.1831 5.8724 5.8724 5.9037 5.9037 6.8407 6.8407 7.2082 7.2082 7.3783 7.3783 7.5627 7.5627 7.6987 7.6987 7.7188 7.7188 8.0500 8.0500 8.2497 8.2497 9.1704 9.1704 9.5177 9.5177 10.1952 10.1952 10.2053 10.2053 12.2058 12.2058 13.3805 13.3805 k = 0.5000 0.2891 0.5969 ( 2948 PWs) bands (ev): -30.9026 -30.9026 -12.2176 -12.2176 -11.8652 -11.8652 -11.8134 -11.8134 0.2870 0.2870 0.9247 0.9247 5.2393 5.2393 5.8424 5.8424 5.9488 5.9488 6.8423 6.8423 7.1873 7.1873 7.3664 7.3664 7.5567 7.5567 7.7160 7.7160 7.7382 7.7382 8.0555 8.0555 8.2482 8.2482 9.1731 9.1731 9.6051 9.6051 10.2802 10.2802 10.2982 10.2982 12.2223 12.2223 13.3093 13.3093 k = 0.5000 0.2891 0.5788 ( 2948 PWs) bands (ev): -30.9028 -30.9028 -12.2167 -12.2167 -11.8637 -11.8637 -11.8135 -11.8135 0.2800 0.2800 0.8588 0.8588 5.2975 5.2975 5.8095 5.8095 5.9969 5.9969 6.8449 6.8449 7.1659 7.1659 7.3540 7.3540 7.5493 7.5493 7.7335 7.7335 7.7601 7.7601 8.0625 8.0625 8.2469 8.2469 9.1752 9.1752 9.6942 9.6942 10.3652 10.3652 10.3964 10.3964 12.2416 12.2416 13.2384 13.2384 k = 0.5000 0.2891 0.5607 ( 2944 PWs) bands (ev): -30.9030 -30.9030 -12.2158 -12.2158 -11.8622 -11.8622 -11.8136 -11.8136 0.2722 0.2722 0.7942 0.7942 5.3578 5.3578 5.7783 5.7783 6.0434 6.0434 6.8488 6.8488 7.1443 7.1443 7.3412 7.3412 7.5407 7.5407 7.7510 7.7510 7.7843 7.7843 8.0707 8.0707 8.2460 8.2460 9.1772 9.1772 9.7849 9.7849 10.4515 10.4515 10.4980 10.4980 12.2641 12.2641 13.1682 13.1682 k = 0.5000 0.2891 0.5426 ( 2946 PWs) bands (ev): -30.9032 -30.9032 -12.2149 -12.2149 -11.8607 -11.8607 -11.8137 -11.8137 0.2634 0.2634 0.7308 0.7308 5.4200 5.4200 5.7493 5.7493 6.0878 6.0878 6.8540 6.8540 7.1225 7.1225 7.3280 7.3280 7.5314 7.5314 7.7684 7.7684 7.8105 7.8105 8.0799 8.0799 8.2456 8.2456 9.1789 9.1789 9.8767 9.8767 10.5392 10.5392 10.6023 10.6023 12.2901 12.2901 13.0993 13.0993 k = 0.5000 0.2891 0.5245 ( 2942 PWs) bands (ev): -30.9033 -30.9033 -12.2139 -12.2139 -11.8591 -11.8591 -11.8138 -11.8138 0.2537 0.2537 0.6688 0.6688 5.4840 5.4840 5.7225 5.7225 6.1303 6.1303 6.8605 6.8605 7.1007 7.1007 7.3148 7.3148 7.5215 7.5215 7.7857 7.7857 7.8386 7.8386 8.0901 8.0901 8.2458 8.2458 9.1804 9.1804 9.9694 9.9694 10.6282 10.6282 10.7086 10.7086 12.3202 12.3202 13.0322 13.0322 k = 0.5000 0.2891 0.5064 ( 2938 PWs) bands (ev): -30.9035 -30.9035 -12.2130 -12.2130 -11.8575 -11.8575 -11.8138 -11.8138 0.2432 0.2432 0.6082 0.6082 5.5493 5.5493 5.6984 5.6984 6.1707 6.1707 6.8684 6.8684 7.0792 7.0792 7.3012 7.3012 7.5111 7.5111 7.8028 7.8028 7.8682 7.8682 8.1009 8.1009 8.2468 8.2468 9.1817 9.1817 10.0625 10.0625 10.7187 10.7187 10.8160 10.8160 12.3550 12.3550 12.9673 12.9673 k = 0.5000 0.2891 0.4883 ( 2950 PWs) bands (ev): -30.9037 -30.9037 -12.2121 -12.2121 -11.8559 -11.8559 -11.8139 -11.8139 0.2318 0.2318 0.5493 0.5493 5.6134 5.6134 5.6791 5.6791 6.2092 6.2092 6.8775 6.8775 7.0576 7.0576 7.2875 7.2875 7.5004 7.5004 7.8194 7.8194 7.8992 7.8992 8.1123 8.1123 8.2488 8.2488 9.1827 9.1827 10.1556 10.1556 10.8105 10.8105 10.9234 10.9234 12.3952 12.3952 12.9052 12.9052 k = 0.5000 0.2891 0.4703 ( 2952 PWs) bands (ev): -30.9039 -30.9039 -12.2111 -12.2111 -11.8543 -11.8543 -11.8140 -11.8140 0.2197 0.2197 0.4920 0.4920 5.6432 5.6432 5.6979 5.6979 6.2458 6.2458 6.8881 6.8881 7.0365 7.0365 7.2738 7.2738 7.4894 7.4894 7.8358 7.8358 7.9315 7.9315 8.1240 8.1240 8.2519 8.2519 9.1836 9.1836 10.2483 10.2483 10.9036 10.9036 11.0301 11.0301 12.4415 12.4415 12.8466 12.8466 k = 0.5000 0.2891 0.4522 ( 2962 PWs) bands (ev): -30.9040 -30.9040 -12.2102 -12.2102 -11.8527 -11.8527 -11.8140 -11.8140 0.2069 0.2069 0.4364 0.4364 5.6294 5.6294 5.7636 5.7636 6.2807 6.2807 6.9000 6.9000 7.0158 7.0158 7.2601 7.2601 7.4781 7.4781 7.8515 7.8515 7.9650 7.9650 8.1359 8.1359 8.2564 8.2564 9.1842 9.1842 10.3400 10.3400 10.9979 10.9979 11.1348 11.1348 12.4947 12.4947 12.7921 12.7921 k = 0.5000 0.2891 0.4341 ( 2966 PWs) bands (ev): -30.9042 -30.9042 -12.2093 -12.2093 -11.8511 -11.8511 -11.8141 -11.8141 0.1934 0.1934 0.3826 0.3826 5.6132 5.6132 5.8350 5.8350 6.3140 6.3140 6.9129 6.9129 6.9959 6.9959 7.2464 7.2464 7.4667 7.4667 7.8664 7.8664 7.9996 7.9996 8.1481 8.1481 8.2623 8.2623 9.1845 9.1845 10.4299 10.4299 11.0934 11.0934 11.2366 11.2366 12.5556 12.5556 12.7425 12.7425 k = 0.5000 0.2891 0.4160 ( 2966 PWs) bands (ev): -30.9044 -30.9044 -12.2084 -12.2084 -11.8494 -11.8494 -11.8141 -11.8141 0.1793 0.1793 0.3307 0.3307 5.5981 5.5981 5.9084 5.9084 6.3456 6.3456 6.9262 6.9262 6.9776 6.9776 7.2328 7.2328 7.4552 7.4552 7.8803 7.8803 8.0353 8.0353 8.1607 8.1607 8.2701 8.2701 9.1846 9.1846 10.5171 10.5171 11.1900 11.1900 11.3342 11.3342 12.6244 12.6244 12.6989 12.6989 k = 0.5000 0.2891 0.3979 ( 2962 PWs) bands (ev): -30.9046 -30.9046 -12.2074 -12.2074 -11.8478 -11.8478 -11.8142 -11.8142 0.1648 0.1648 0.2806 0.2806 5.5843 5.5843 5.9830 5.9830 6.3757 6.3757 6.9359 6.9359 6.9647 6.9647 7.2196 7.2196 7.4436 7.4436 7.8928 7.8928 8.0717 8.0717 8.1737 8.1737 8.2797 8.2797 9.1843 9.1843 10.6008 10.6008 11.2875 11.2875 11.4270 11.4270 12.6592 12.6592 12.7002 12.7002 k = 0.5000 0.2891 0.3798 ( 2964 PWs) bands (ev): -30.9047 -30.9047 -12.2065 -12.2065 -11.8462 -11.8462 -11.8142 -11.8142 0.1498 0.1498 0.2326 0.2326 5.5719 5.5719 6.0587 6.0587 6.4045 6.4045 6.9294 6.9294 6.9696 6.9696 7.2066 7.2066 7.4319 7.4319 7.9036 7.9036 8.1086 8.1086 8.1876 8.1876 8.2911 8.2911 9.1836 9.1836 10.6797 10.6797 11.3859 11.3859 11.5143 11.5143 12.6152 12.6152 12.6341 12.6341 k = 0.5000 0.2891 0.3617 ( 2960 PWs) bands (ev): -30.9049 -30.9049 -12.2056 -12.2056 -11.8446 -11.8446 -11.8142 -11.8142 0.1346 0.1346 0.1865 0.1865 5.5607 5.5607 6.1352 6.1352 6.4319 6.4319 6.9140 6.9140 6.9852 6.9852 7.1938 7.1938 7.4203 7.4203 7.9128 7.9128 8.1452 8.1452 8.2031 8.2031 8.3046 8.3046 9.1824 9.1824 10.7526 10.7526 11.4850 11.4850 11.5958 11.5958 12.5159 12.5159 12.6112 12.6112 k = 0.5000 0.2891 0.3437 ( 2956 PWs) bands (ev): -30.9051 -30.9051 -12.2047 -12.2047 -11.8431 -11.8431 -11.8142 -11.8142 0.1193 0.1193 0.1425 0.1425 5.5509 5.5509 6.2122 6.2122 6.4581 6.4581 6.8975 6.8975 7.0034 7.0034 7.1816 7.1816 7.4087 7.4087 7.9199 7.9199 8.1799 8.1799 8.2216 8.2216 8.3201 8.3201 9.1807 9.1807 10.8184 10.8184 11.5846 11.5846 11.6715 11.6715 12.4121 12.4121 12.5999 12.5999 k = 0.5000 0.2891 0.3256 ( 2956 PWs) bands (ev): -30.9052 -30.9052 -12.2039 -12.2039 -11.8415 -11.8415 -11.8142 -11.8142 0.1002 0.1002 0.1042 0.1042 5.5421 5.5421 6.2894 6.2894 6.4833 6.4833 6.8812 6.8812 7.0226 7.0226 7.1700 7.1700 7.3971 7.3971 7.9249 7.9249 8.2092 8.2092 8.2463 8.2463 8.3380 8.3380 9.1784 9.1784 10.8757 10.8757 11.6844 11.6844 11.7420 11.7420 12.3064 12.3064 12.5991 12.5991 k = 0.5000 0.2891 0.3075 ( 2960 PWs) bands (ev): -30.9054 -30.9054 -12.2031 -12.2031 -11.8401 -11.8401 -11.8142 -11.8142 0.0605 0.0605 0.0885 0.0885 5.5343 5.5343 6.3665 6.3665 6.5074 6.5074 6.8655 6.8655 7.0420 7.0420 7.1594 7.1594 7.3857 7.3857 7.9277 7.9277 8.2320 8.2320 8.2776 8.2776 8.3590 8.3590 9.1753 9.1753 10.9239 10.9239 11.7833 11.7833 11.8086 11.8086 12.1998 12.1998 12.6091 12.6091 k = 0.5000 0.2891 0.2894 ( 2952 PWs) bands (ev): -30.9055 -30.9055 -12.2023 -12.2023 -11.8386 -11.8386 -11.8141 -11.8141 0.0228 0.0228 0.0733 0.0733 5.5274 5.5274 6.4429 6.4429 6.5310 6.5310 6.8504 6.8504 7.0608 7.0608 7.1504 7.1504 7.3745 7.3745 7.9285 7.9285 8.2514 8.2514 8.3111 8.3111 8.3841 8.3841 9.1714 9.1714 10.9622 10.9622 11.8648 11.8648 11.8882 11.8882 12.0931 12.0931 12.6296 12.6296 k = 0.5000 0.2891 0.2713 ( 2952 PWs) bands (ev): -30.9056 -30.9056 -12.2015 -12.2015 -11.8373 -11.8373 -11.8141 -11.8141 -0.0127 -0.0127 0.0584 0.0584 5.5213 5.5213 6.5158 6.5158 6.5564 6.5564 6.8362 6.8362 7.0772 7.0772 7.1445 7.1445 7.3636 7.3636 7.9272 7.9272 8.2696 8.2696 8.3434 8.3434 8.4141 8.4141 9.1667 9.1667 10.9908 10.9908 11.9239 11.9239 11.9746 11.9746 11.9986 11.9986 12.6593 12.6593 k = 0.5000 0.2891 0.2532 ( 2948 PWs) bands (ev): -30.9058 -30.9058 -12.2008 -12.2008 -11.8359 -11.8359 -11.8141 -11.8141 -0.0461 -0.0461 0.0438 0.0438 5.5160 5.5160 6.5641 6.5641 6.6046 6.6046 6.8228 6.8228 7.0877 7.0877 7.1450 7.1450 7.3529 7.3529 7.9241 7.9241 8.2870 8.2870 8.3735 8.3735 8.4490 8.4490 9.1608 9.1608 11.0099 11.0099 11.8792 11.8792 11.9796 11.9796 12.0869 12.0869 12.6960 12.6960 k = 0.5000 0.2891 0.2351 ( 2950 PWs) bands (ev): -30.9059 -30.9059 -12.2001 -12.2001 -11.8347 -11.8347 -11.8141 -11.8141 -0.0773 -0.0773 0.0298 0.0298 5.5113 5.5113 6.5874 6.5874 6.6752 6.6752 6.8104 6.8104 7.0898 7.0898 7.1543 7.1543 7.3426 7.3426 7.9192 7.9192 8.3037 8.3037 8.4025 8.4025 8.4874 8.4874 9.1538 9.1538 11.0206 11.0206 11.7761 11.7761 12.0323 12.0323 12.1846 12.1846 12.7361 12.7361 k = 0.5000 0.2891 0.2170 ( 2948 PWs) bands (ev): -30.9060 -30.9060 -12.1994 -12.1994 -11.8335 -11.8335 -11.8140 -11.8140 -0.1062 -0.1062 0.0163 0.0163 5.5072 5.5072 6.6069 6.6069 6.7465 6.7465 6.7994 6.7994 7.0860 7.0860 7.1696 7.1696 7.3328 7.3328 7.9126 7.9126 8.3196 8.3196 8.4316 8.4316 8.5280 8.5280 9.1454 9.1454 11.0240 11.0240 11.6752 11.6752 12.0834 12.0834 12.2812 12.2812 12.7748 12.7748 k = 0.5000 0.2891 0.1990 ( 2956 PWs) bands (ev): -30.9061 -30.9061 -12.1988 -12.1988 -11.8324 -11.8324 -11.8140 -11.8140 -0.1329 -0.1329 0.0035 0.0035 5.5036 5.5036 6.6246 6.6246 6.7858 6.7858 6.8194 6.8194 7.0797 7.0797 7.1873 7.1873 7.3236 7.3236 7.9044 7.9044 8.3344 8.3344 8.4616 8.4616 8.5694 8.5694 9.1354 9.1354 11.0214 11.0214 11.5778 11.5778 12.1332 12.1332 12.3757 12.3757 12.8059 12.8059 k = 0.5000 0.2891 0.1809 ( 2952 PWs) bands (ev): -30.9062 -30.9062 -12.1983 -12.1983 -11.8313 -11.8313 -11.8140 -11.8140 -0.1573 -0.1573 -0.0085 -0.0085 5.5005 5.5005 6.6411 6.6411 6.7772 6.7772 6.8856 6.8856 7.0730 7.0730 7.2053 7.2053 7.3153 7.3153 7.8950 7.8950 8.3479 8.3479 8.4931 8.4931 8.6107 8.6107 9.1237 9.1237 11.0142 11.0142 11.4846 11.4846 12.1822 12.1822 12.4675 12.4675 12.8231 12.8231 k = 0.5000 0.2891 0.1628 ( 2960 PWs) bands (ev): -30.9063 -30.9063 -12.1978 -12.1978 -11.8304 -11.8304 -11.8140 -11.8140 -0.1794 -0.1794 -0.0196 -0.0196 5.4977 5.4977 6.6562 6.6562 6.7686 6.7686 6.9490 6.9490 7.0667 7.0667 7.2227 7.2227 7.3081 7.3081 7.8842 7.8842 8.3601 8.3601 8.5262 8.5262 8.6512 8.6512 9.1101 9.1101 11.0036 11.0036 11.3965 11.3965 12.2306 12.2306 12.5557 12.5557 12.8223 12.8223 k = 0.5000 0.2891 0.1447 ( 2956 PWs) bands (ev): -30.9064 -30.9064 -12.1973 -12.1973 -11.8295 -11.8295 -11.8140 -11.8140 -0.1992 -0.1992 -0.0298 -0.0298 5.4954 5.4954 6.6700 6.6700 6.7610 6.7610 7.0060 7.0060 7.0631 7.0631 7.2389 7.2389 7.3025 7.3025 7.8724 7.8724 8.3711 8.3711 8.5610 8.5610 8.6900 8.6900 9.0944 9.0944 10.9908 10.9908 11.3145 11.3145 12.2783 12.2783 12.6396 12.6396 12.8041 12.8041 k = 0.5000 0.2891 0.1266 ( 2964 PWs) bands (ev): -30.9065 -30.9065 -12.1969 -12.1969 -11.8288 -11.8288 -11.8139 -11.8139 -0.2167 -0.2167 -0.0390 -0.0390 5.4934 5.4934 6.6822 6.6822 6.7545 6.7545 7.0392 7.0392 7.0786 7.0786 7.2530 7.2530 7.2995 7.2995 7.8597 7.8597 8.3807 8.3807 8.5971 8.5971 8.7266 8.7266 9.0763 9.0763 10.9769 10.9769 11.2393 11.2393 12.3255 12.3255 12.7178 12.7178 12.7734 12.7734 k = 0.5000 0.2891 0.1085 ( 2968 PWs) bands (ev): -30.9066 -30.9066 -12.1966 -12.1966 -11.8282 -11.8282 -11.8139 -11.8139 -0.2320 -0.2320 -0.0470 -0.0470 5.4918 5.4918 6.6927 6.6927 6.7493 6.7493 7.0402 7.0402 7.1202 7.1202 7.2642 7.2642 7.3006 7.3006 7.8466 7.8466 8.3890 8.3890 8.6344 8.6344 8.7603 8.7603 9.0558 9.0558 10.9628 10.9628 11.1719 11.1719 12.3717 12.3717 12.7356 12.7356 12.7901 12.7901 k = 0.5000 0.2891 0.0904 ( 2962 PWs) bands (ev): -30.9066 -30.9066 -12.1963 -12.1963 -11.8276 -11.8276 -11.8139 -11.8139 -0.2448 -0.2448 -0.0540 -0.0540 5.4904 5.4904 6.7013 6.7013 6.7456 6.7456 7.0365 7.0365 7.1588 7.1588 7.2724 7.2724 7.3070 7.3070 7.8333 7.8333 8.3961 8.3961 8.6726 8.6726 8.7905 8.7905 9.0328 9.0328 10.9493 10.9493 11.1132 11.1132 12.4166 12.4166 12.6976 12.6976 12.8538 12.8538 k = 0.5000 0.2891 0.0723 ( 2958 PWs) bands (ev): -30.9066 -30.9066 -12.1960 -12.1960 -11.8271 -11.8271 -11.8138 -11.8138 -0.2554 -0.2554 -0.0597 -0.0597 5.4894 5.4894 6.7075 6.7075 6.7436 6.7436 7.0326 7.0326 7.1875 7.1875 7.2794 7.2794 7.3177 7.3177 7.8205 7.8205 8.4019 8.4019 8.7111 8.7111 8.8164 8.8164 9.0073 9.0073 10.9372 10.9372 11.0638 11.0638 12.4590 12.4590 12.6623 12.6623 12.9081 12.9081 k = 0.5000 0.2891 0.0543 ( 2958 PWs) bands (ev): -30.9067 -30.9067 -12.1958 -12.1958 -11.8267 -11.8267 -11.8138 -11.8138 -0.2636 -0.2636 -0.0642 -0.0642 5.4885 5.4885 6.7113 6.7113 6.7431 6.7431 7.0293 7.0293 7.2052 7.2052 7.2868 7.2868 7.3309 7.3309 7.8090 7.8090 8.4064 8.4064 8.7490 8.7490 8.8378 8.8378 8.9794 8.9794 10.9270 10.9270 11.0246 11.0246 12.4975 12.4975 12.6327 12.6327 12.9514 12.9514 k = 0.5000 0.2891 0.0362 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1956 -12.1956 -11.8264 -11.8264 -11.8138 -11.8138 -0.2694 -0.2694 -0.0674 -0.0674 5.4880 5.4880 6.7132 6.7132 6.7438 6.7438 7.0269 7.0269 7.2144 7.2144 7.2934 7.2934 7.3438 7.3438 7.7997 7.7997 8.4098 8.4098 8.7850 8.7850 8.8547 8.8547 8.9498 8.9498 10.9194 10.9194 10.9961 10.9961 12.5293 12.5293 12.6105 12.6105 12.9811 12.9811 k = 0.5000 0.2891 0.0181 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1955 -12.1955 -11.8263 -11.8263 -11.8138 -11.8138 -0.2730 -0.2730 -0.0694 -0.0694 5.4876 5.4876 6.7139 6.7139 6.7445 6.7445 7.0255 7.0255 7.2184 7.2184 7.2978 7.2978 7.3532 7.3532 7.7936 7.7936 8.4119 8.4119 8.8147 8.8147 8.8690 8.8690 8.9201 8.9201 10.9146 10.9146 10.9788 10.9788 12.5509 12.5509 12.5968 12.5968 12.9937 12.9937 k = 0.5000 0.2891 0.0000 ( 2948 PWs) bands (ev): -30.9067 -30.9067 -12.1955 -12.1955 -11.8262 -11.8262 -11.8138 -11.8138 -0.2741 -0.2741 -0.0700 -0.0700 5.4875 5.4875 6.7141 6.7141 6.7448 6.7448 7.0249 7.0249 7.2195 7.2195 7.2993 7.2993 7.3567 7.3567 7.7915 7.7915 8.4125 8.4125 8.8275 8.8275 8.8814 8.8814 8.8996 8.8996 10.9130 10.9130 10.9730 10.9730 12.5586 12.5586 12.5921 12.5921 12.9943 12.9943 k = 0.0000 0.0000 0.9990 ( 2968 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8830 -11.8830 -11.8119 -11.8119 0.3056 0.3056 2.0976 2.0976 4.5821 4.5821 4.8849 4.8849 6.7146 6.7146 6.8328 6.8328 7.3653 7.3653 7.4515 7.4515 7.4754 7.4754 7.5495 7.5495 7.7185 7.7185 8.2686 8.2686 8.2760 8.2760 8.3533 8.3533 9.0423 9.0423 9.1568 9.1568 9.2835 9.2835 12.1388 12.1388 13.9743 13.9743 k = 0.0156 0.0090 0.9990 ( 2968 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8830 -11.8830 -11.8119 -11.8119 0.3057 0.3057 2.0975 2.0975 4.5827 4.5827 4.8840 4.8840 6.7161 6.7161 6.8345 6.8345 7.3637 7.3637 7.4456 7.4456 7.4804 7.4804 7.5502 7.5502 7.7182 7.7182 8.2688 8.2688 8.2761 8.2761 8.3542 8.3542 9.0376 9.0376 9.1595 9.1595 9.2834 9.2834 12.1323 12.1323 13.9857 13.9857 k = 0.0312 0.0181 0.9990 ( 2968 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8830 -11.8830 -11.8119 -11.8119 0.3058 0.3058 2.0970 2.0970 4.5845 4.5845 4.8811 4.8811 6.7203 6.7203 6.8393 6.8393 7.3590 7.3590 7.4336 7.4336 7.4897 7.4897 7.5524 7.5524 7.7174 7.7174 8.2691 8.2691 8.2764 8.2764 8.3566 8.3566 9.0246 9.0246 9.1666 9.1666 9.2833 9.2833 12.1136 12.1136 14.0191 14.0191 k = 0.0469 0.0271 0.9990 ( 2960 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8830 -11.8830 -11.8119 -11.8119 0.3060 0.3060 2.0963 2.0963 4.5874 4.5874 4.8765 4.8765 6.7272 6.7272 6.8472 6.8472 7.3514 7.3514 7.4194 7.4194 7.4995 7.4995 7.5560 7.5560 7.7161 7.7161 8.2695 8.2695 8.2770 8.2770 8.3608 8.3608 9.0057 9.0057 9.1759 9.1759 9.2831 9.2831 12.0843 12.0843 14.0728 14.0728 k = 0.0625 0.0361 0.9990 ( 2954 PWs) bands (ev): -30.9005 -30.9005 -12.2285 -12.2285 -11.8829 -11.8829 -11.8118 -11.8118 0.3063 0.3063 2.0953 2.0953 4.5915 4.5915 4.8701 4.8701 6.7368 6.7368 6.8581 6.8581 7.3413 7.3413 7.4040 7.4040 7.5089 7.5089 7.5607 7.5607 7.7142 7.7142 8.2700 8.2700 8.2777 8.2777 8.3668 8.3668 8.9824 8.9824 9.1859 9.1859 9.2827 9.2827 12.0468 12.0468 14.1436 14.1436 k = 0.0781 0.0452 0.9990 ( 2946 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3066 0.3066 2.0942 2.0942 4.5968 4.5968 4.8621 4.8621 6.7489 6.7489 6.8718 6.8718 7.3289 7.3289 7.3874 7.3874 7.5177 7.5177 7.5661 7.5661 7.7117 7.7117 8.2705 8.2705 8.2784 8.2784 8.3747 8.3747 8.9561 8.9561 9.1958 9.1958 9.2823 9.2823 12.0037 12.0037 14.2282 14.2282 k = 0.0938 0.0542 0.9990 ( 2950 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3070 0.3070 2.0928 2.0928 4.6031 4.6031 4.8526 4.8526 6.7633 6.7633 6.8881 6.8881 7.3144 7.3144 7.3697 7.3697 7.5257 7.5257 7.5721 7.5721 7.7087 7.7087 8.2709 8.2709 8.2791 8.2791 8.3846 8.3846 8.9273 8.9273 9.2049 9.2049 9.2818 9.2818 11.9573 11.9573 14.3223 14.3223 k = 0.1094 0.0632 0.9990 ( 2950 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3075 0.3075 2.0914 2.0914 4.6106 4.6106 4.8418 4.8418 6.7797 6.7797 6.9067 6.9067 7.2982 7.2982 7.3510 7.3510 7.5329 7.5329 7.5784 7.5784 7.7054 7.7054 8.2713 8.2713 8.2798 8.2798 8.3966 8.3966 8.8966 8.8966 9.2133 9.2133 9.2811 9.2811 11.9101 11.9101 14.4192 14.4193 k = 0.1250 0.0723 0.9990 ( 2944 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3079 0.3079 2.0898 2.0898 4.6191 4.6191 4.8299 4.8299 6.7978 6.7978 6.9272 6.9272 7.2808 7.2808 7.3314 7.3314 7.5394 7.5394 7.5849 7.5849 7.7017 7.7017 8.2717 8.2717 8.2805 8.2805 8.4107 8.4107 8.8646 8.8646 9.2207 9.2207 9.2804 9.2804 11.8637 11.8637 14.5046 14.5046 k = 0.1406 0.0813 0.9990 ( 2952 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3084 0.3084 2.0883 2.0883 4.6285 4.6285 4.8170 4.8170 6.8173 6.8173 6.9494 6.9494 7.2621 7.2621 7.3108 7.3108 7.5450 7.5450 7.5915 7.5915 7.6976 7.6976 8.2719 8.2719 8.2809 8.2809 8.4269 8.4269 8.8314 8.8314 9.2274 9.2274 9.2796 9.2796 11.8198 11.8198 14.5522 14.5522 k = 0.1562 0.0903 0.9990 ( 2950 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3088 0.3088 2.0868 2.0868 4.6389 4.6389 4.8033 4.8033 6.8376 6.8376 6.9730 6.9730 7.2428 7.2428 7.2894 7.2894 7.5499 7.5499 7.5980 7.5980 7.6934 7.6934 8.2722 8.2722 8.2813 8.2813 8.4452 8.4452 8.7976 8.7976 9.2332 9.2332 9.2786 9.2786 11.7796 11.7796 14.5688 14.5688 k = 0.1719 0.0994 0.9990 ( 2952 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3092 0.3092 2.0855 2.0855 4.6502 4.6502 4.7890 4.7890 6.8582 6.8582 6.9975 6.9975 7.2233 7.2233 7.2672 7.2672 7.5540 7.5540 7.6043 7.6043 7.6891 7.6891 8.2725 8.2725 8.2816 8.2816 8.4656 8.4656 8.7636 8.7636 9.2383 9.2383 9.2776 9.2776 11.7441 11.7441 14.5754 14.5754 k = 0.1875 0.1084 0.9990 ( 2950 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3095 0.3095 2.0843 2.0843 4.6623 4.6623 4.7743 4.7743 6.8781 6.8781 7.0226 7.0226 7.2043 7.2043 7.2445 7.2445 7.5573 7.5573 7.6102 7.6102 7.6849 7.6849 8.2728 8.2728 8.2818 8.2818 8.4880 8.4880 8.7297 8.7297 9.2427 9.2427 9.2765 9.2765 11.7141 11.7141 14.5787 14.5787 k = 0.2031 0.1174 0.9990 ( 2946 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8118 -11.8118 0.3098 0.3098 2.0833 2.0833 4.6752 4.6752 4.7593 4.7593 6.8964 6.8964 7.0476 7.0476 7.1869 7.1869 7.2216 7.2216 7.5598 7.5598 7.6154 7.6154 7.6811 7.6811 8.2730 8.2730 8.2820 8.2820 8.5121 8.5121 8.6962 8.6962 9.2463 9.2463 9.2754 9.2754 11.6902 11.6902 14.5807 14.5807 k = 0.2188 0.1265 0.9990 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3101 0.3101 2.0826 2.0826 4.6886 4.6886 4.7443 4.7443 6.9116 6.9116 7.0717 7.0717 7.1722 7.1722 7.1994 7.1994 7.5617 7.5617 7.6197 7.6197 7.6779 7.6779 8.2733 8.2733 8.2821 8.2821 8.5379 8.5379 8.6637 8.6637 9.2491 9.2491 9.2744 9.2744 11.6728 11.6728 14.5819 14.5819 k = 0.2344 0.1355 0.9990 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3102 0.3102 2.0821 2.0821 4.7024 4.7024 4.7296 4.7296 6.9218 6.9218 7.0924 7.0924 7.1617 7.1617 7.1805 7.1805 7.5628 7.5628 7.6224 7.6224 7.6758 7.6758 8.2734 8.2734 8.2821 8.2821 8.5642 8.5642 8.6332 8.6332 9.2509 9.2509 9.2735 9.2735 11.6623 11.6623 14.5825 14.5825 k = 0.2500 0.1445 0.9990 ( 2936 PWs) bands (ev): -30.9005 -30.9005 -12.2284 -12.2284 -11.8829 -11.8829 -11.8117 -11.8117 0.3103 0.3103 2.0819 2.0819 4.7116 4.7116 4.7200 4.7200 6.9256 6.9256 7.1025 7.1025 7.1568 7.1568 7.1721 7.1721 7.5631 7.5631 7.6232 7.6232 7.6753 7.6753 8.2735 8.2735 8.2821 8.2821 8.5828 8.5828 8.6132 8.6132 9.2518 9.2518 9.2729 9.2729 11.6587 11.6587 14.5827 14.5827 Writing output data file CaxNiGex2.save init_run : 0.27s CPU 0.69s WALL ( 1 calls) electrons : 262.18s CPU 266.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 262.16s CPU 266.96s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 357 calls) cegterg : 246.78s CPU 250.05s WALL ( 958 calls) Called by sum_band: Called by *egterg: h_psi : 144.20s CPU 146.22s WALL ( 16806 calls) s_psi : 6.45s CPU 6.45s WALL ( 16806 calls) g_psi : 0.27s CPU 0.26s WALL ( 15491 calls) cdiaghg : 90.63s CPU 92.17s WALL ( 15848 calls) cegterg:over : 6.45s CPU 6.53s WALL ( 15491 calls) cegterg:upda : 5.41s CPU 5.46s WALL ( 15491 calls) cegterg:last : 2.76s CPU 2.77s WALL ( 2131 calls) cdiaghg:chol : 4.72s CPU 4.89s WALL ( 15848 calls) cdiaghg:inve : 3.27s CPU 3.31s WALL ( 15848 calls) cdiaghg:para : 5.16s CPU 5.02s WALL ( 31696 calls) Called by h_psi: h_psi:vloc : 129.90s CPU 131.95s WALL ( 16806 calls) h_psi:vnl : 14.09s CPU 14.02s WALL ( 16806 calls) add_vuspsi : 7.36s CPU 7.37s WALL ( 16806 calls) General routines calbec : 6.66s CPU 6.62s WALL ( 16806 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 121.39s CPU 123.53s WALL ( 1173912 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.26s WALL ( 714 calls) Parallel routines fft_scatter : 42.61s CPU 43.78s WALL ( 1173935 calls) PWSCF : 4m36.38s CPU 5m14.88s WALL This run was terminated on: 16:50:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=