Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6: 4:33 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Rb2CdCl4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 149 42 12 5566 845 130 Max 150 43 13 5570 868 132 Sum 10753 3085 883 400827 61801 9447 bravais-lattice index = 14 lattice parameter (alat) = 16.7471 a.u. unit-cell volume = 1468.8315 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.747092 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.828185 celldm(5)= -0.828185 celldm(6)= 0.656371 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.656371 0.754438 0.000000 ) a(3) = ( -0.828185 -0.377219 0.414505 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.870013 1.206257 ) b(2) = ( 0.000000 1.325489 1.206257 ) b(3) = ( 0.000000 0.000000 2.412515 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Cd 12.00 112.41100 Cd( 1.00) Cl 7.00 35.45300 Cl( 1.00) Rb 9.00 85.46780 Rb( 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= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0000000 0.0000000 0.0280525), wk = 0.0036900 k( 3) = ( 0.0000000 0.0000000 0.0561050), wk = 0.0036900 k( 4) = ( 0.0000000 0.0000000 0.0841575), wk = 0.0036900 k( 5) = ( 0.0000000 0.0000000 0.1122100), wk = 0.0036900 k( 6) = ( 0.0000000 0.0000000 0.1402625), wk = 0.0036900 k( 7) = ( 0.0000000 0.0000000 0.1683150), wk = 0.0036900 k( 8) = ( 0.0000000 0.0000000 0.1963675), wk = 0.0036900 k( 9) = ( 0.0000000 0.0000000 0.2244200), wk = 0.0036900 k( 10) = ( 0.0000000 0.0000000 0.2524725), wk = 0.0036900 k( 11) = ( 0.0000000 0.0000000 0.2805250), wk = 0.0036900 k( 12) = ( 0.0000000 0.0000000 0.3085775), wk = 0.0036900 k( 13) = ( 0.0000000 0.0000000 0.3366300), wk = 0.0036900 k( 14) = ( 0.0000000 0.0000000 0.3646825), wk = 0.0036900 k( 15) = ( 0.0000000 0.0000000 0.3927350), wk = 0.0036900 k( 16) = ( 0.0000000 0.0000000 0.4207875), wk = 0.0036900 k( 17) = ( 0.0000000 0.0000000 0.4488400), wk = 0.0036900 k( 18) = ( 0.0000000 0.0000000 0.4768925), wk = 0.0036900 k( 19) = ( 0.0000000 0.0000000 0.5049450), wk = 0.0036900 k( 20) = ( 0.0000000 0.0000000 0.5329975), wk = 0.0036900 k( 21) = ( 0.0000000 0.0000000 0.5610500), wk = 0.0036900 k( 22) = ( 0.0000000 0.0000000 0.5891025), wk = 0.0036900 k( 23) = ( 0.0000000 0.0000000 0.6171550), wk = 0.0036900 k( 24) = ( 0.0000000 0.0000000 0.6452075), wk = 0.0036900 k( 25) = ( 0.0000000 0.0000000 0.6732600), wk = 0.0036900 k( 26) = ( 0.0000000 0.0000000 0.7013125), wk = 0.0036900 k( 27) = ( 0.0000000 0.0000000 0.7293650), wk = 0.0036900 k( 28) = ( 0.0000000 0.0000000 0.7574175), wk = 0.0036900 k( 29) = ( 0.0000000 0.0000000 0.7854700), wk = 0.0036900 k( 30) = ( 0.0000000 0.0000000 0.8135225), wk = 0.0036900 k( 31) = ( 0.0000000 0.0000000 0.8415750), wk = 0.0036900 k( 32) = ( 0.0000000 0.0000000 0.8696275), wk = 0.0036900 k( 33) = ( 0.0000000 0.0000000 0.8976800), wk = 0.0036900 k( 34) = ( 0.0000000 0.0000000 0.9257325), wk = 0.0036900 k( 35) = ( 0.0000000 0.0000000 0.9537850), wk = 0.0036900 k( 36) = ( 0.0000000 0.0000000 0.9818375), wk = 0.0036900 k( 37) = ( 0.0000000 0.0000000 1.0098900), wk = 0.0036900 k( 38) = ( 0.0000000 0.0000000 1.0379425), wk = 0.0036900 k( 39) = ( 0.0000000 0.0000000 1.0659950), wk = 0.0036900 k( 40) = ( 0.0000000 0.0000000 1.0940475), wk = 0.0036900 k( 41) = ( 0.0000000 0.0000000 1.1221000), wk = 0.0036900 k( 42) = ( 0.0000000 0.0000000 1.1501525), wk = 0.0036900 k( 43) = ( 0.0000000 0.0000000 1.1782050), wk = 0.0036900 k( 44) = ( 0.0000000 0.0000000 1.2062575), wk = 0.0036900 k( 45) = ( 0.0000000 0.0000000 1.2062575), wk = 0.0036900 k( 46) = ( -0.0103730 0.0227738 1.2062575), wk = 0.0036900 k( 47) = ( -0.0207459 0.0455477 1.2062575), wk = 0.0036900 k( 48) = ( -0.0311189 0.0683215 1.2062575), wk = 0.0036900 k( 49) = ( -0.0414918 0.0910953 1.2062575), wk = 0.0036900 k( 50) = ( -0.0518648 0.1138692 1.2062575), wk = 0.0036900 k( 51) = ( -0.0518648 0.1138692 1.2062575), wk = 0.0036900 k( 52) = ( -0.0598672 0.1314385 1.1869516), wk = 0.0036900 k( 53) = ( -0.0678696 0.1490078 1.1676456), wk = 0.0036900 k( 54) = ( -0.0758720 0.1665771 1.1483397), wk = 0.0036900 k( 55) = ( -0.0838744 0.1841464 1.1290337), wk = 0.0036900 k( 56) = ( -0.0918768 0.2017158 1.1097278), wk = 0.0036900 k( 57) = ( -0.0998793 0.2192851 1.0904218), wk = 0.0036900 k( 58) = ( -0.1078817 0.2368544 1.0711159), wk = 0.0036900 k( 59) = ( -0.1158841 0.2544237 1.0518099), wk = 0.0036900 k( 60) = ( -0.1238865 0.2719930 1.0325040), wk = 0.0036900 k( 61) = ( -0.1318889 0.2895624 1.0131980), wk = 0.0036900 k( 62) = ( -0.1398913 0.3071317 0.9938921), wk = 0.0036900 k( 63) = ( -0.1478937 0.3247010 0.9745861), wk = 0.0036900 k( 64) = ( -0.1558962 0.3422703 0.9552802), wk = 0.0036900 k( 65) = ( -0.1638986 0.3598396 0.9359743), wk = 0.0036900 k( 66) = ( -0.1719010 0.3774090 0.9166683), wk = 0.0036900 k( 67) = ( -0.1799034 0.3949783 0.8973624), wk = 0.0036900 k( 68) = ( -0.1879058 0.4125476 0.8780564), wk = 0.0036900 k( 69) = ( -0.1959082 0.4301169 0.8587505), wk = 0.0036900 k( 70) = ( -0.2039106 0.4476862 0.8394445), wk = 0.0036900 k( 71) = ( -0.2119131 0.4652555 0.8201386), wk = 0.0036900 k( 72) = ( -0.2199155 0.4828249 0.8008326), wk = 0.0036900 k( 73) = ( -0.2279179 0.5003942 0.7815267), wk = 0.0036900 k( 74) = ( -0.2359203 0.5179635 0.7622207), wk = 0.0036900 k( 75) = ( -0.2439227 0.5355328 0.7429148), wk = 0.0036900 k( 76) = ( -0.2519251 0.5531021 0.7236089), wk = 0.0036900 k( 77) = ( -0.2599276 0.5706714 0.7043029), wk = 0.0036900 k( 78) = ( -0.2679300 0.5882408 0.6849970), wk = 0.0036900 k( 79) = ( -0.2759324 0.6058101 0.6656910), wk = 0.0036900 k( 80) = ( -0.2759324 0.6058101 0.6656910), wk = 0.0036900 k( 81) = ( -0.2678167 0.5879921 0.6461119), wk = 0.0036900 k( 82) = ( -0.2597011 0.5701742 0.6265327), wk = 0.0036900 k( 83) = ( -0.2515854 0.5523562 0.6069536), wk = 0.0036900 k( 84) = ( -0.2434698 0.5345383 0.5873744), wk = 0.0036900 k( 85) = ( -0.2353541 0.5167204 0.5677953), wk = 0.0036900 k( 86) = ( -0.2272384 0.4989024 0.5482161), wk = 0.0036900 k( 87) = ( -0.2191228 0.4810845 0.5286370), wk = 0.0036900 k( 88) = ( -0.2110071 0.4632665 0.5090578), wk = 0.0036900 k( 89) = ( -0.2028915 0.4454486 0.4894787), wk = 0.0036900 k( 90) = ( -0.1947758 0.4276306 0.4698995), wk = 0.0036900 k( 91) = ( -0.1866601 0.4098127 0.4503204), wk = 0.0036900 k( 92) = ( -0.1785445 0.3919947 0.4307412), wk = 0.0036900 k( 93) = ( -0.1704288 0.3741768 0.4111621), wk = 0.0036900 k( 94) = ( -0.1623132 0.3563589 0.3915829), wk = 0.0036900 k( 95) = ( -0.1541975 0.3385409 0.3720038), wk = 0.0036900 k( 96) = ( -0.1460819 0.3207230 0.3524247), wk = 0.0036900 k( 97) = ( -0.1379662 0.3029050 0.3328455), wk = 0.0036900 k( 98) = ( -0.1298505 0.2850871 0.3132664), wk = 0.0036900 k( 99) = ( -0.1217349 0.2672691 0.2936872), wk = 0.0036900 k( 100) = ( -0.1136192 0.2494512 0.2741081), wk = 0.0036900 k( 101) = ( -0.1055036 0.2316333 0.2545289), wk = 0.0036900 k( 102) = ( -0.0973879 0.2138153 0.2349498), wk = 0.0036900 k( 103) = ( -0.0892722 0.1959974 0.2153706), wk = 0.0036900 k( 104) = ( -0.0811566 0.1781794 0.1957915), wk = 0.0036900 k( 105) = ( -0.0730409 0.1603615 0.1762123), wk = 0.0036900 k( 106) = ( -0.0649253 0.1425436 0.1566332), wk = 0.0036900 k( 107) = ( -0.0568096 0.1247256 0.1370540), wk = 0.0036900 k( 108) = ( -0.0486939 0.1069077 0.1174749), wk = 0.0036900 k( 109) = ( -0.0405783 0.0890897 0.0978957), wk = 0.0036900 k( 110) = ( -0.0324626 0.0712718 0.0783166), wk = 0.0036900 k( 111) = ( -0.0243470 0.0534538 0.0587374), wk = 0.0036900 k( 112) = ( -0.0162313 0.0356359 0.0391583), wk = 0.0036900 k( 113) = ( -0.0081157 0.0178179 0.0195792), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 116) = ( 0.0250000 0.0113869 -0.0000000), wk = 0.0036900 k( 117) = ( 0.0500000 0.0227738 -0.0000000), wk = 0.0036900 k( 118) = ( 0.0750000 0.0341608 -0.0000000), wk = 0.0036900 k( 119) = ( 0.1000000 0.0455477 -0.0000000), wk = 0.0036900 k( 120) = ( 0.1250000 0.0569346 -0.0000000), wk = 0.0036900 k( 121) = ( 0.1500000 0.0683215 -0.0000000), wk = 0.0036900 k( 122) = ( 0.1750000 0.0797084 -0.0000000), wk = 0.0036900 k( 123) = ( 0.2000000 0.0910953 -0.0000000), wk = 0.0036900 k( 124) = ( 0.2250000 0.1024823 -0.0000000), wk = 0.0036900 k( 125) = ( 0.2500000 0.1138692 -0.0000000), wk = 0.0036900 k( 126) = ( 0.2750000 0.1252561 -0.0000000), wk = 0.0036900 k( 127) = ( 0.3000000 0.1366430 -0.0000000), wk = 0.0036900 k( 128) = ( 0.3250000 0.1480299 -0.0000000), wk = 0.0036900 k( 129) = ( 0.3500000 0.1594169 -0.0000000), wk = 0.0036900 k( 130) = ( 0.3750000 0.1708038 -0.0000000), wk = 0.0036900 k( 131) = ( 0.4000000 0.1821907 -0.0000000), wk = 0.0036900 k( 132) = ( 0.4250000 0.1935776 -0.0000000), wk = 0.0036900 k( 133) = ( 0.4500000 0.2049645 -0.0000000), wk = 0.0036900 k( 134) = ( 0.4750000 0.2163514 -0.0000000), wk = 0.0036900 k( 135) = ( 0.5000000 0.2277384 -0.0000000), wk = 0.0036900 k( 136) = ( 0.5000000 0.2277384 -0.0000000), wk = 0.0036900 k( 137) = ( 0.4919976 0.2453077 0.0193059), wk = 0.0036900 k( 138) = ( 0.4839952 0.2628770 0.0386119), wk = 0.0036900 k( 139) = ( 0.4759928 0.2804463 0.0579178), wk = 0.0036900 k( 140) = ( 0.4679903 0.2980156 0.0772238), wk = 0.0036900 k( 141) = ( 0.4599879 0.3155849 0.0965297), wk = 0.0036900 k( 142) = ( 0.4519855 0.3331543 0.1158357), wk = 0.0036900 k( 143) = ( 0.4439831 0.3507236 0.1351416), wk = 0.0036900 k( 144) = ( 0.4359807 0.3682929 0.1544476), wk = 0.0036900 k( 145) = ( 0.4279783 0.3858622 0.1737535), wk = 0.0036900 k( 146) = ( 0.4199758 0.4034315 0.1930595), wk = 0.0036900 k( 147) = ( 0.4119734 0.4210008 0.2123654), wk = 0.0036900 k( 148) = ( 0.4039710 0.4385702 0.2316714), wk = 0.0036900 k( 149) = ( 0.3959686 0.4561395 0.2509773), wk = 0.0036900 k( 150) = ( 0.3879662 0.4737088 0.2702832), wk = 0.0036900 k( 151) = ( 0.3799638 0.4912781 0.2895892), wk = 0.0036900 k( 152) = ( 0.3719614 0.5088474 0.3088951), wk = 0.0036900 k( 153) = ( 0.3639590 0.5264167 0.3282011), wk = 0.0036900 k( 154) = ( 0.3559565 0.5439861 0.3475070), wk = 0.0036900 k( 155) = ( 0.3479541 0.5615554 0.3668130), wk = 0.0036900 k( 156) = ( 0.3399517 0.5791247 0.3861189), wk = 0.0036900 k( 157) = ( 0.3319493 0.5966940 0.4054249), wk = 0.0036900 k( 158) = ( 0.3239469 0.6142633 0.4247308), wk = 0.0036900 k( 159) = ( 0.3159445 0.6318326 0.4440368), wk = 0.0036900 k( 160) = ( 0.3079420 0.6494020 0.4633427), wk = 0.0036900 k( 161) = ( 0.2999396 0.6669713 0.4826486), wk = 0.0036900 k( 162) = ( 0.2919372 0.6845406 0.5019546), wk = 0.0036900 k( 163) = ( 0.2839348 0.7021099 0.5212605), wk = 0.0036900 k( 164) = ( 0.2759324 0.7196792 0.5405665), wk = 0.0036900 k( 165) = ( 0.2759324 0.7196792 0.5405665), wk = 0.0036900 k( 166) = ( 0.2508476 0.7145034 0.5462540), wk = 0.0036900 k( 167) = ( 0.2257629 0.7093275 0.5519414), wk = 0.0036900 k( 168) = ( 0.2006781 0.7041516 0.5576289), wk = 0.0036900 k( 169) = ( 0.1755933 0.6989758 0.5633164), wk = 0.0036900 k( 170) = ( 0.1505086 0.6937999 0.5690039), wk = 0.0036900 k( 171) = ( 0.1254238 0.6886240 0.5746914), wk = 0.0036900 k( 172) = ( 0.1003390 0.6834481 0.5803788), wk = 0.0036900 k( 173) = ( 0.0752543 0.6782723 0.5860663), wk = 0.0036900 k( 174) = ( 0.0501695 0.6730964 0.5917538), wk = 0.0036900 k( 175) = ( 0.0250848 0.6679205 0.5974413), wk = 0.0036900 k( 176) = ( 0.0000000 0.6627447 0.6031287), wk = 0.0036900 k( 177) = ( 0.0000000 0.6627447 0.6031287), wk = 0.0036900 k( 178) = ( 0.0080645 0.6450390 0.6225845), wk = 0.0036900 k( 179) = ( 0.0161290 0.6273333 0.6420403), wk = 0.0036900 k( 180) = ( 0.0241936 0.6096277 0.6614961), wk = 0.0036900 k( 181) = ( 0.0322581 0.5919220 0.6809518), wk = 0.0036900 k( 182) = ( 0.0403226 0.5742164 0.7004076), wk = 0.0036900 k( 183) = ( 0.0483871 0.5565107 0.7198634), wk = 0.0036900 k( 184) = ( 0.0564516 0.5388050 0.7393191), wk = 0.0036900 k( 185) = ( 0.0645161 0.5210994 0.7587749), wk = 0.0036900 k( 186) = ( 0.0725806 0.5033937 0.7782307), wk = 0.0036900 k( 187) = ( 0.0806452 0.4856881 0.7976864), wk = 0.0036900 k( 188) = ( 0.0887097 0.4679824 0.8171422), wk = 0.0036900 k( 189) = ( 0.0967742 0.4502767 0.8365979), wk = 0.0036900 k( 190) = ( 0.1048387 0.4325711 0.8560537), wk = 0.0036900 k( 191) = ( 0.1129032 0.4148654 0.8755095), wk = 0.0036900 k( 192) = ( 0.1209677 0.3971598 0.8949652), wk = 0.0036900 k( 193) = ( 0.1290323 0.3794541 0.9144210), wk = 0.0036900 k( 194) = ( 0.1370968 0.3617484 0.9338768), wk = 0.0036900 k( 195) = ( 0.1451613 0.3440428 0.9533325), wk = 0.0036900 k( 196) = ( 0.1532258 0.3263371 0.9727883), wk = 0.0036900 k( 197) = ( 0.1612903 0.3086315 0.9922441), wk = 0.0036900 k( 198) = ( 0.1693548 0.2909258 1.0116998), wk = 0.0036900 k( 199) = ( 0.1774194 0.2732201 1.0311556), wk = 0.0036900 k( 200) = ( 0.1854839 0.2555145 1.0506114), wk = 0.0036900 k( 201) = ( 0.1935484 0.2378088 1.0700671), wk = 0.0036900 k( 202) = ( 0.2016129 0.2201031 1.0895229), wk = 0.0036900 k( 203) = ( 0.2096774 0.2023975 1.1089787), wk = 0.0036900 k( 204) = ( 0.2177419 0.1846918 1.1284344), wk = 0.0036900 k( 205) = ( 0.2258064 0.1669862 1.1478902), wk = 0.0036900 k( 206) = ( 0.2338710 0.1492805 1.1673460), wk = 0.0036900 k( 207) = ( 0.2419355 0.1315748 1.1868017), wk = 0.0036900 k( 208) = ( 0.2500000 0.1138692 1.2062575), wk = 0.0036900 k( 209) = ( 0.2500000 0.1138692 1.2062575), wk = 0.0036900 k( 210) = ( 0.2727273 0.1242209 1.1948825), wk = 0.0036900 k( 211) = ( 0.2954545 0.1345727 1.1835076), wk = 0.0036900 k( 212) = ( 0.3181818 0.1449244 1.1721326), wk = 0.0036900 k( 213) = ( 0.3409091 0.1552762 1.1607577), wk = 0.0036900 k( 214) = ( 0.3636364 0.1656279 1.1493827), wk = 0.0036900 k( 215) = ( 0.3863636 0.1759796 1.1380078), wk = 0.0036900 k( 216) = ( 0.4090909 0.1863314 1.1266328), wk = 0.0036900 k( 217) = ( 0.4318182 0.1966831 1.1152578), wk = 0.0036900 k( 218) = ( 0.4545455 0.2070349 1.1038829), wk = 0.0036900 k( 219) = ( 0.4772727 0.2173866 1.0925079), wk = 0.0036900 k( 220) = ( 0.5000000 0.2277384 1.0811330), wk = 0.0036900 k( 221) = ( 0.5000000 0.2277384 1.0811330), wk = 0.0036900 k( 222) = ( 0.5000000 0.2277384 1.0534116), wk = 0.0036900 k( 223) = ( 0.5000000 0.2277384 1.0256903), wk = 0.0036900 k( 224) = ( 0.5000000 0.2277384 0.9979689), wk = 0.0036900 k( 225) = ( 0.5000000 0.2277384 0.9702475), wk = 0.0036900 k( 226) = ( 0.5000000 0.2277384 0.9425262), wk = 0.0036900 k( 227) = ( 0.5000000 0.2277384 0.9148048), wk = 0.0036900 k( 228) = ( 0.5000000 0.2277384 0.8870835), wk = 0.0036900 k( 229) = ( 0.5000000 0.2277384 0.8593621), wk = 0.0036900 k( 230) = ( 0.5000000 0.2277384 0.8316408), wk = 0.0036900 k( 231) = ( 0.5000000 0.2277384 0.8039194), wk = 0.0036900 k( 232) = ( 0.5000000 0.2277384 0.7761980), wk = 0.0036900 k( 233) = ( 0.5000000 0.2277384 0.7484767), wk = 0.0036900 k( 234) = ( 0.5000000 0.2277384 0.7207553), wk = 0.0036900 k( 235) = ( 0.5000000 0.2277384 0.6930340), wk = 0.0036900 k( 236) = ( 0.5000000 0.2277384 0.6653126), wk = 0.0036900 k( 237) = ( 0.5000000 0.2277384 0.6375913), wk = 0.0036900 k( 238) = ( 0.5000000 0.2277384 0.6098699), wk = 0.0036900 k( 239) = ( 0.5000000 0.2277384 0.5821485), wk = 0.0036900 k( 240) = ( 0.5000000 0.2277384 0.5544272), wk = 0.0036900 k( 241) = ( 0.5000000 0.2277384 0.5267058), wk = 0.0036900 k( 242) = ( 0.5000000 0.2277384 0.4989845), wk = 0.0036900 k( 243) = ( 0.5000000 0.2277384 0.4712631), wk = 0.0036900 k( 244) = ( 0.5000000 0.2277384 0.4435417), wk = 0.0036900 k( 245) = ( 0.5000000 0.2277384 0.4158204), wk = 0.0036900 k( 246) = ( 0.5000000 0.2277384 0.3880990), wk = 0.0036900 k( 247) = ( 0.5000000 0.2277384 0.3603777), wk = 0.0036900 k( 248) = ( 0.5000000 0.2277384 0.3326563), wk = 0.0036900 k( 249) = ( 0.5000000 0.2277384 0.3049349), wk = 0.0036900 k( 250) = ( 0.5000000 0.2277384 0.2772136), wk = 0.0036900 k( 251) = ( 0.5000000 0.2277384 0.2494922), wk = 0.0036900 k( 252) = ( 0.5000000 0.2277384 0.2217709), wk = 0.0036900 k( 253) = ( 0.5000000 0.2277384 0.1940495), wk = 0.0036900 k( 254) = ( 0.5000000 0.2277384 0.1663281), wk = 0.0036900 k( 255) = ( 0.5000000 0.2277384 0.1386068), wk = 0.0036900 k( 256) = ( 0.5000000 0.2277384 0.1108854), wk = 0.0036900 k( 257) = ( 0.5000000 0.2277384 0.0831641), wk = 0.0036900 k( 258) = ( 0.5000000 0.2277384 0.0554427), wk = 0.0036900 k( 259) = ( 0.5000000 0.2277384 0.0277214), wk = 0.0036900 k( 260) = ( 0.5000000 0.2277384 -0.0000000), wk = 0.0036900 k( 261) = ( 0.0000000 0.0000000 1.2062575), wk = 0.0036900 k( 262) = ( 0.0250000 0.0113869 1.2062575), wk = 0.0036900 k( 263) = ( 0.0500000 0.0227738 1.2062575), wk = 0.0036900 k( 264) = ( 0.0750000 0.0341608 1.2062575), wk = 0.0036900 k( 265) = ( 0.1000000 0.0455477 1.2062575), wk = 0.0036900 k( 266) = ( 0.1250000 0.0569346 1.2062575), wk = 0.0036900 k( 267) = ( 0.1500000 0.0683215 1.2062575), wk = 0.0036900 k( 268) = ( 0.1750000 0.0797084 1.2062575), wk = 0.0036900 k( 269) = ( 0.2000000 0.0910953 1.2062575), wk = 0.0036900 k( 270) = ( 0.2250000 0.1024823 1.2062575), wk = 0.0036900 k( 271) = ( 0.2500000 0.1138692 1.2062575), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0036900 k( 3) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0036900 k( 4) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0036900 k( 5) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0036900 k( 6) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0036900 k( 7) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0036900 k( 8) = ( 0.0000000 0.0000000 0.0813954), wk = 0.0036900 k( 9) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0036900 k( 10) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0036900 k( 11) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0036900 k( 12) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0036900 k( 13) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0036900 k( 14) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0036900 k( 15) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0036900 k( 16) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0036900 k( 17) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0036900 k( 18) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0036900 k( 19) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0036900 k( 20) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0036900 k( 21) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0036900 k( 22) = ( 0.0000000 0.0000000 0.2441860), wk = 0.0036900 k( 23) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0036900 k( 24) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0036900 k( 25) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0036900 k( 26) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0036900 k( 27) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0036900 k( 28) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0036900 k( 29) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0036900 k( 30) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0036900 k( 31) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0036900 k( 32) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0036900 k( 33) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0036900 k( 34) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0036900 k( 35) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0036900 k( 36) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0036900 k( 37) = ( 0.0000000 0.0000000 0.4186047), wk = 0.0036900 k( 38) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0036900 k( 39) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0036900 k( 40) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0036900 k( 41) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0036900 k( 42) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0036900 k( 43) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0036900 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 46) = ( -0.0103730 0.0103729 0.5000000), wk = 0.0036900 k( 47) = ( -0.0207459 0.0207459 0.5000000), wk = 0.0036900 k( 48) = ( -0.0311189 0.0311189 0.5000000), wk = 0.0036900 k( 49) = ( -0.0414918 0.0414918 0.5000000), wk = 0.0036900 k( 50) = ( -0.0518648 0.0518648 0.5000000), wk = 0.0036900 k( 51) = ( -0.0518648 0.0518648 0.5000000), wk = 0.0036900 k( 52) = ( -0.0598672 0.0598672 0.4919976), wk = 0.0036900 k( 53) = ( -0.0678696 0.0678696 0.4839952), wk = 0.0036900 k( 54) = ( -0.0758720 0.0758720 0.4759928), wk = 0.0036900 k( 55) = ( -0.0838744 0.0838744 0.4679903), wk = 0.0036900 k( 56) = ( -0.0918768 0.0918768 0.4599879), wk = 0.0036900 k( 57) = ( -0.0998793 0.0998793 0.4519855), wk = 0.0036900 k( 58) = ( -0.1078817 0.1078817 0.4439831), wk = 0.0036900 k( 59) = ( -0.1158841 0.1158841 0.4359807), wk = 0.0036900 k( 60) = ( -0.1238865 0.1238865 0.4279783), wk = 0.0036900 k( 61) = ( -0.1318889 0.1318889 0.4199758), wk = 0.0036900 k( 62) = ( -0.1398913 0.1398913 0.4119734), wk = 0.0036900 k( 63) = ( -0.1478937 0.1478937 0.4039710), wk = 0.0036900 k( 64) = ( -0.1558962 0.1558962 0.3959686), wk = 0.0036900 k( 65) = ( -0.1638986 0.1638986 0.3879662), wk = 0.0036900 k( 66) = ( -0.1719010 0.1719010 0.3799638), wk = 0.0036900 k( 67) = ( -0.1799034 0.1799034 0.3719614), wk = 0.0036900 k( 68) = ( -0.1879058 0.1879058 0.3639590), wk = 0.0036900 k( 69) = ( -0.1959082 0.1959082 0.3559565), wk = 0.0036900 k( 70) = ( -0.2039106 0.2039106 0.3479541), wk = 0.0036900 k( 71) = ( -0.2119131 0.2119131 0.3399517), wk = 0.0036900 k( 72) = ( -0.2199155 0.2199155 0.3319493), wk = 0.0036900 k( 73) = ( -0.2279179 0.2279179 0.3239469), wk = 0.0036900 k( 74) = ( -0.2359203 0.2359203 0.3159445), wk = 0.0036900 k( 75) = ( -0.2439227 0.2439227 0.3079420), wk = 0.0036900 k( 76) = ( -0.2519251 0.2519251 0.2999396), wk = 0.0036900 k( 77) = ( -0.2599276 0.2599276 0.2919372), wk = 0.0036900 k( 78) = ( -0.2679300 0.2679300 0.2839348), wk = 0.0036900 k( 79) = ( -0.2759324 0.2759324 0.2759324), wk = 0.0036900 k( 80) = ( -0.2759324 0.2759324 0.2759324), wk = 0.0036900 k( 81) = ( -0.2678167 0.2678167 0.2678167), wk = 0.0036900 k( 82) = ( -0.2597011 0.2597011 0.2597011), wk = 0.0036900 k( 83) = ( -0.2515854 0.2515854 0.2515854), wk = 0.0036900 k( 84) = ( -0.2434698 0.2434698 0.2434698), wk = 0.0036900 k( 85) = ( -0.2353541 0.2353541 0.2353541), wk = 0.0036900 k( 86) = ( -0.2272384 0.2272384 0.2272384), wk = 0.0036900 k( 87) = ( -0.2191228 0.2191228 0.2191228), wk = 0.0036900 k( 88) = ( -0.2110071 0.2110071 0.2110071), wk = 0.0036900 k( 89) = ( -0.2028915 0.2028915 0.2028915), wk = 0.0036900 k( 90) = ( -0.1947758 0.1947758 0.1947758), wk = 0.0036900 k( 91) = ( -0.1866601 0.1866601 0.1866601), wk = 0.0036900 k( 92) = ( -0.1785445 0.1785445 0.1785445), wk = 0.0036900 k( 93) = ( -0.1704288 0.1704288 0.1704288), wk = 0.0036900 k( 94) = ( -0.1623132 0.1623132 0.1623132), wk = 0.0036900 k( 95) = ( -0.1541975 0.1541975 0.1541975), wk = 0.0036900 k( 96) = ( -0.1460819 0.1460819 0.1460819), wk = 0.0036900 k( 97) = ( -0.1379662 0.1379662 0.1379662), wk = 0.0036900 k( 98) = ( -0.1298505 0.1298505 0.1298505), wk = 0.0036900 k( 99) = ( -0.1217349 0.1217349 0.1217349), wk = 0.0036900 k( 100) = ( -0.1136192 0.1136192 0.1136192), wk = 0.0036900 k( 101) = ( -0.1055036 0.1055036 0.1055036), wk = 0.0036900 k( 102) = ( -0.0973879 0.0973879 0.0973879), wk = 0.0036900 k( 103) = ( -0.0892722 0.0892722 0.0892722), wk = 0.0036900 k( 104) = ( -0.0811566 0.0811566 0.0811566), wk = 0.0036900 k( 105) = ( -0.0730409 0.0730409 0.0730409), wk = 0.0036900 k( 106) = ( -0.0649253 0.0649253 0.0649253), wk = 0.0036900 k( 107) = ( -0.0568096 0.0568096 0.0568096), wk = 0.0036900 k( 108) = ( -0.0486939 0.0486939 0.0486940), wk = 0.0036900 k( 109) = ( -0.0405783 0.0405783 0.0405783), wk = 0.0036900 k( 110) = ( -0.0324626 0.0324626 0.0324626), wk = 0.0036900 k( 111) = ( -0.0243470 0.0243470 0.0243470), wk = 0.0036900 k( 112) = ( -0.0162313 0.0162313 0.0162313), wk = 0.0036900 k( 113) = ( -0.0081157 0.0081157 0.0081157), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 116) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0036900 k( 117) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036900 k( 118) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0036900 k( 119) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036900 k( 120) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036900 k( 121) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036900 k( 122) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0036900 k( 123) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036900 k( 124) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0036900 k( 125) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036900 k( 126) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0036900 k( 127) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036900 k( 128) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0036900 k( 129) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036900 k( 130) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036900 k( 131) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036900 k( 132) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0036900 k( 133) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036900 k( 134) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0036900 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036900 k( 136) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036900 k( 137) = ( 0.4919976 0.5080024 -0.4919976), wk = 0.0036900 k( 138) = ( 0.4839952 0.5160048 -0.4839952), wk = 0.0036900 k( 139) = ( 0.4759928 0.5240072 -0.4759928), wk = 0.0036900 k( 140) = ( 0.4679903 0.5320097 -0.4679903), wk = 0.0036900 k( 141) = ( 0.4599879 0.5400121 -0.4599879), wk = 0.0036900 k( 142) = ( 0.4519855 0.5480145 -0.4519855), wk = 0.0036900 k( 143) = ( 0.4439831 0.5560169 -0.4439831), wk = 0.0036900 k( 144) = ( 0.4359807 0.5640193 -0.4359807), wk = 0.0036900 k( 145) = ( 0.4279783 0.5720217 -0.4279783), wk = 0.0036900 k( 146) = ( 0.4199758 0.5800241 -0.4199758), wk = 0.0036900 k( 147) = ( 0.4119734 0.5880266 -0.4119734), wk = 0.0036900 k( 148) = ( 0.4039710 0.5960290 -0.4039710), wk = 0.0036900 k( 149) = ( 0.3959686 0.6040314 -0.3959686), wk = 0.0036900 k( 150) = ( 0.3879662 0.6120338 -0.3879662), wk = 0.0036900 k( 151) = ( 0.3799638 0.6200362 -0.3799638), wk = 0.0036900 k( 152) = ( 0.3719614 0.6280386 -0.3719614), wk = 0.0036900 k( 153) = ( 0.3639590 0.6360410 -0.3639590), wk = 0.0036900 k( 154) = ( 0.3559565 0.6440435 -0.3559565), wk = 0.0036900 k( 155) = ( 0.3479541 0.6520459 -0.3479541), wk = 0.0036900 k( 156) = ( 0.3399517 0.6600483 -0.3399517), wk = 0.0036900 k( 157) = ( 0.3319493 0.6680507 -0.3319493), wk = 0.0036900 k( 158) = ( 0.3239469 0.6760531 -0.3239469), wk = 0.0036900 k( 159) = ( 0.3159445 0.6840555 -0.3159445), wk = 0.0036900 k( 160) = ( 0.3079420 0.6920580 -0.3079420), wk = 0.0036900 k( 161) = ( 0.2999396 0.7000604 -0.2999396), wk = 0.0036900 k( 162) = ( 0.2919372 0.7080628 -0.2919372), wk = 0.0036900 k( 163) = ( 0.2839348 0.7160652 -0.2839348), wk = 0.0036900 k( 164) = ( 0.2759324 0.7240676 -0.2759324), wk = 0.0036900 k( 165) = ( 0.2759324 0.7240676 -0.2759324), wk = 0.0036900 k( 166) = ( 0.2508476 0.7036978 -0.2508476), wk = 0.0036900 k( 167) = ( 0.2257629 0.6833280 -0.2257629), wk = 0.0036900 k( 168) = ( 0.2006781 0.6629583 -0.2006781), wk = 0.0036900 k( 169) = ( 0.1755933 0.6425885 -0.1755933), wk = 0.0036900 k( 170) = ( 0.1505086 0.6222187 -0.1505086), wk = 0.0036900 k( 171) = ( 0.1254238 0.6018489 -0.1254238), wk = 0.0036900 k( 172) = ( 0.1003390 0.5814791 -0.1003390), wk = 0.0036900 k( 173) = ( 0.0752543 0.5611093 -0.0752543), wk = 0.0036900 k( 174) = ( 0.0501695 0.5407396 -0.0501695), wk = 0.0036900 k( 175) = ( 0.0250848 0.5203698 -0.0250848), wk = 0.0036900 k( 176) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036900 k( 177) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036900 k( 178) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0036900 k( 179) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0036900 k( 180) = ( 0.0241936 0.4758064 0.0241935), wk = 0.0036900 k( 181) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0036900 k( 182) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0036900 k( 183) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0036900 k( 184) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0036900 k( 185) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0036900 k( 186) = ( 0.0725806 0.4274194 0.0725806), wk = 0.0036900 k( 187) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0036900 k( 188) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0036900 k( 189) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0036900 k( 190) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0036900 k( 191) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0036900 k( 192) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0036900 k( 193) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0036900 k( 194) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0036900 k( 195) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0036900 k( 196) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0036900 k( 197) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0036900 k( 198) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0036900 k( 199) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0036900 k( 200) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0036900 k( 201) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0036900 k( 202) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0036900 k( 203) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0036900 k( 204) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0036900 k( 205) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0036900 k( 206) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0036900 k( 207) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0036900 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036900 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036900 k( 210) = ( 0.2727273 0.2727273 0.2225577), wk = 0.0036900 k( 211) = ( 0.2954545 0.2954545 0.1951155), wk = 0.0036900 k( 212) = ( 0.3181818 0.3181818 0.1676732), wk = 0.0036900 k( 213) = ( 0.3409091 0.3409091 0.1402310), wk = 0.0036900 k( 214) = ( 0.3636364 0.3636364 0.1127887), wk = 0.0036900 k( 215) = ( 0.3863636 0.3863636 0.0853465), wk = 0.0036900 k( 216) = ( 0.4090909 0.4090909 0.0579042), wk = 0.0036900 k( 217) = ( 0.4318182 0.4318182 0.0304620), wk = 0.0036900 k( 218) = ( 0.4545455 0.4545455 0.0030197), wk = 0.0036900 k( 219) = ( 0.4772727 0.4772727 -0.0244225), wk = 0.0036900 k( 220) = ( 0.5000000 0.5000000 -0.0518648), wk = 0.0036900 k( 221) = ( 0.5000000 0.5000000 -0.0518648), wk = 0.0036900 k( 222) = ( 0.5000000 0.5000000 -0.0633554), wk = 0.0036900 k( 223) = ( 0.5000000 0.5000000 -0.0748460), wk = 0.0036900 k( 224) = ( 0.5000000 0.5000000 -0.0863367), wk = 0.0036900 k( 225) = ( 0.5000000 0.5000000 -0.0978274), wk = 0.0036900 k( 226) = ( 0.5000000 0.5000000 -0.1093180), wk = 0.0036900 k( 227) = ( 0.5000000 0.5000000 -0.1208086), wk = 0.0036900 k( 228) = ( 0.5000000 0.5000000 -0.1322993), wk = 0.0036900 k( 229) = ( 0.5000000 0.5000000 -0.1437899), wk = 0.0036900 k( 230) = ( 0.5000000 0.5000000 -0.1552806), wk = 0.0036900 k( 231) = ( 0.5000000 0.5000000 -0.1667712), wk = 0.0036900 k( 232) = ( 0.5000000 0.5000000 -0.1782619), wk = 0.0036900 k( 233) = ( 0.5000000 0.5000000 -0.1897525), wk = 0.0036900 k( 234) = ( 0.5000000 0.5000000 -0.2012432), wk = 0.0036900 k( 235) = ( 0.5000000 0.5000000 -0.2127338), wk = 0.0036900 k( 236) = ( 0.5000000 0.5000000 -0.2242245), wk = 0.0036900 k( 237) = ( 0.5000000 0.5000000 -0.2357151), wk = 0.0036900 k( 238) = ( 0.5000000 0.5000000 -0.2472058), wk = 0.0036900 k( 239) = ( 0.5000000 0.5000000 -0.2586964), wk = 0.0036900 k( 240) = ( 0.5000000 0.5000000 -0.2701871), wk = 0.0036900 k( 241) = ( 0.5000000 0.5000000 -0.2816777), wk = 0.0036900 k( 242) = ( 0.5000000 0.5000000 -0.2931684), wk = 0.0036900 k( 243) = ( 0.5000000 0.5000000 -0.3046590), wk = 0.0036900 k( 244) = ( 0.5000000 0.5000000 -0.3161497), wk = 0.0036900 k( 245) = ( 0.5000000 0.5000000 -0.3276403), wk = 0.0036900 k( 246) = ( 0.5000000 0.5000000 -0.3391309), wk = 0.0036900 k( 247) = ( 0.5000000 0.5000000 -0.3506216), wk = 0.0036900 k( 248) = ( 0.5000000 0.5000000 -0.3621122), wk = 0.0036900 k( 249) = ( 0.5000000 0.5000000 -0.3736029), wk = 0.0036900 k( 250) = ( 0.5000000 0.5000000 -0.3850935), wk = 0.0036900 k( 251) = ( 0.5000000 0.5000000 -0.3965842), wk = 0.0036900 k( 252) = ( 0.5000000 0.5000000 -0.4080748), wk = 0.0036900 k( 253) = ( 0.5000000 0.5000000 -0.4195655), wk = 0.0036900 k( 254) = ( 0.5000000 0.5000000 -0.4310561), wk = 0.0036900 k( 255) = ( 0.5000000 0.5000000 -0.4425468), wk = 0.0036900 k( 256) = ( 0.5000000 0.5000000 -0.4540374), wk = 0.0036900 k( 257) = ( 0.5000000 0.5000000 -0.4655281), wk = 0.0036900 k( 258) = ( 0.5000000 0.5000000 -0.4770187), wk = 0.0036900 k( 259) = ( 0.5000000 0.5000000 -0.4885094), wk = 0.0036900 k( 260) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036900 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 262) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0036900 k( 263) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036900 k( 264) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0036900 k( 265) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036900 k( 266) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036900 k( 267) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036900 k( 268) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0036900 k( 269) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036900 k( 270) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0036900 k( 271) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036900 Dense grid: 400827 G-vectors FFT dimensions: ( 135, 135, 135) Smooth grid: 61801 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 220, 70) NL pseudopotentials 0.40 Mb ( 110, 238) Each V/rho on FFT grid 0.56 Mb ( 36450) Each G-vector array 0.04 Mb ( 5567) G-vector shells 0.02 Mb ( 2702) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 220, 280) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.51 Mb ( 238, 2, 70) The potential is recalculated from file : ./Rb2CdCl4.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.3 secs Computing kpt #: 2 total cpu time spent up to now is 8.5 secs Computing kpt #: 3 total cpu time spent up to now is 10.5 secs Computing kpt #: 4 total cpu time spent up to now is 12.5 secs Computing kpt #: 5 total cpu time spent up to now is 14.6 secs Computing kpt #: 6 total cpu time spent up to now is 16.6 secs Computing kpt #: 7 total cpu time spent up to now is 18.3 secs Computing kpt #: 8 total cpu time spent up to now is 20.1 secs Computing kpt #: 9 total cpu time spent up to now is 21.9 secs Computing kpt #: 10 total cpu time spent up to now is 23.7 secs Computing kpt #: 11 total cpu time spent up to now is 25.5 secs Computing kpt #: 12 total cpu time spent up to now is 27.3 secs Computing kpt #: 13 total cpu time spent up to now is 29.1 secs Computing kpt #: 14 total cpu time spent up to now is 30.8 secs Computing kpt #: 15 total cpu time spent up to now is 32.6 secs Computing kpt #: 16 total cpu time spent up to now is 34.4 secs Computing kpt #: 17 total cpu time spent up to now is 36.2 secs Computing kpt #: 18 total cpu time spent up to now is 38.3 secs Computing kpt #: 19 total cpu time spent up to now is 40.3 secs Computing kpt #: 20 total cpu time spent up to now is 42.4 secs Computing kpt #: 21 total cpu time spent up to now is 44.5 secs Computing kpt #: 22 total cpu time spent up to now is 46.5 secs Computing kpt #: 23 total cpu time spent up to now is 48.3 secs Computing kpt #: 24 total cpu time spent up to now is 50.1 secs Computing kpt #: 25 total cpu time spent up to now is 52.2 secs Computing kpt #: 26 total cpu time spent up to now is 53.9 secs Computing kpt #: 27 total cpu time spent up to now is 56.0 secs Computing kpt #: 28 total cpu time spent up to now is 58.0 secs Computing kpt #: 29 total cpu time spent up to now is 60.1 secs Computing kpt #: 30 total cpu time spent up to now is 62.1 secs Computing kpt #: 31 total cpu time spent up to now is 64.1 secs Computing kpt #: 32 total cpu time spent up to now is 65.9 secs Computing kpt #: 33 total cpu time spent up to now is 67.7 secs Computing kpt #: 34 total cpu time spent up to now is 69.4 secs Computing kpt #: 35 total cpu time spent up to now is 71.4 secs Computing kpt #: 36 total cpu time spent up to now is 73.6 secs Computing kpt #: 37 total cpu time spent up to now is 75.7 secs Computing kpt #: 38 total cpu time spent up to now is 77.8 secs Computing kpt #: 39 total cpu time spent up to now is 80.0 secs Computing kpt #: 40 total cpu time spent up to now is 82.1 secs Computing kpt #: 41 total cpu time spent up to now is 84.2 secs Computing kpt #: 42 total cpu time spent up to now is 86.3 secs Computing kpt #: 43 total cpu time spent up to now is 88.5 secs Computing kpt #: 44 total cpu time spent up to now is 90.6 secs Computing kpt #: 45 total cpu time spent up to now is 92.7 secs Computing kpt #: 46 total cpu time spent up to now is 94.8 secs Computing kpt #: 47 total cpu time spent up to now is 96.9 secs Computing kpt #: 48 total cpu time spent up to now is 98.9 secs Computing kpt #: 49 total cpu time spent up to now is 101.0 secs Computing kpt #: 50 total cpu time spent up to now is 103.1 secs Computing kpt #: 51 total cpu time spent up to now is 105.2 secs Computing kpt #: 52 total cpu time spent up to now is 107.3 secs Computing kpt #: 53 total cpu time spent up to now is 109.4 secs Computing kpt #: 54 total cpu time spent up to now is 111.4 secs Computing kpt #: 55 total cpu time spent up to now is 113.5 secs Computing kpt #: 56 total cpu time spent up to now is 115.6 secs Computing kpt #: 57 total cpu time spent up to now is 117.7 secs Computing kpt #: 58 total cpu time spent up to now is 119.8 secs Computing kpt #: 59 total cpu time spent up to now is 121.9 secs Computing kpt #: 60 total cpu time spent up to now is 124.1 secs Computing kpt #: 61 total cpu time spent up to now is 126.2 secs Computing kpt #: 62 total cpu time spent up to now is 128.3 secs Computing kpt #: 63 total cpu time spent up to now is 130.4 secs Computing kpt #: 64 total cpu time spent up to now is 132.5 secs Computing kpt #: 65 total cpu time spent up to now is 134.8 secs Computing kpt #: 66 total cpu time spent up to now is 136.9 secs Computing kpt #: 67 total cpu time spent up to now is 139.0 secs Computing kpt #: 68 total cpu time spent up to now is 141.0 secs Computing kpt #: 69 total cpu time spent up to now is 143.1 secs Computing kpt #: 70 total cpu time spent up to now is 145.2 secs Computing kpt #: 71 total cpu time spent up to now is 147.2 secs Computing kpt #: 72 total cpu time spent up to now is 149.4 secs Computing kpt #: 73 total cpu time spent up to now is 151.5 secs Computing kpt #: 74 total cpu time spent up to now is 153.8 secs Computing kpt #: 75 total cpu time spent up to now is 156.0 secs Computing kpt #: 76 total cpu time spent up to now is 158.2 secs Computing kpt #: 77 total cpu time spent up to now is 160.5 secs Computing kpt #: 78 total cpu time spent up to now is 162.8 secs Computing kpt #: 79 total cpu time spent up to now is 165.1 secs Computing kpt #: 80 total cpu time spent up to now is 167.2 secs Computing kpt #: 81 total cpu time spent up to now is 169.5 secs Computing kpt #: 82 total cpu time spent up to now is 171.8 secs Computing kpt #: 83 total cpu time spent up to now is 174.1 secs Computing kpt #: 84 total cpu time spent up to now is 176.2 secs Computing kpt #: 85 total cpu time spent up to now is 178.4 secs Computing kpt #: 86 total cpu time spent up to now is 180.7 secs Computing kpt #: 87 total cpu time spent up to now is 182.8 secs Computing kpt #: 88 total cpu time spent up to now is 185.0 secs Computing kpt #: 89 total cpu time spent up to now is 187.6 secs Computing kpt #: 90 total cpu time spent up to now is 190.3 secs Computing kpt #: 91 total cpu time spent up to now is 193.2 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.1 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.8 secs Computing kpt #: 94 total cpu time spent up to now is 204.8 secs Computing kpt #: 95 total cpu time spent up to now is 207.0 secs Computing kpt #: 96 total cpu time spent up to now is 209.0 secs Computing kpt #: 97 total cpu time spent up to now is 211.1 secs Computing kpt #: 98 total cpu time spent up to now is 213.2 secs Computing kpt #: 99 total cpu time spent up to now is 215.2 secs Computing kpt #: 100 total cpu time spent up to now is 217.3 secs Computing kpt #: 101 total cpu time spent up to now is 219.3 secs Computing kpt #: 102 total cpu time spent up to now is 221.4 secs Computing kpt #: 103 total cpu time spent up to now is 223.4 secs Computing kpt #: 104 total cpu time spent up to now is 225.5 secs Computing kpt #: 105 total cpu time spent up to now is 227.5 secs Computing kpt #: 106 total cpu time spent up to now is 229.6 secs Computing kpt #: 107 total cpu time spent up to now is 231.6 secs Computing kpt #: 108 total cpu time spent up to now is 233.6 secs Computing kpt #: 109 total cpu time spent up to now is 235.6 secs Computing kpt #: 110 total cpu time spent up to now is 237.7 secs Computing kpt #: 111 total cpu time spent up to now is 239.7 secs Computing kpt #: 112 total cpu time spent up to now is 241.7 secs Computing kpt #: 113 total cpu time spent up to now is 243.7 secs Computing kpt #: 114 total cpu time spent up to now is 245.8 secs Computing kpt #: 115 total cpu time spent up to now is 247.9 secs Computing kpt #: 116 total cpu time spent up to now is 250.0 secs Computing kpt #: 117 total cpu time spent up to now is 252.1 secs Computing kpt #: 118 total cpu time spent up to now is 254.1 secs Computing kpt #: 119 total cpu time spent up to now is 256.2 secs Computing kpt #: 120 total cpu time spent up to now is 258.3 secs Computing kpt #: 121 total cpu time spent up to now is 260.3 secs Computing kpt #: 122 total cpu time spent up to now is 262.4 secs Computing kpt #: 123 total cpu time spent up to now is 264.6 secs Computing kpt #: 124 total cpu time spent up to now is 268.4 secs Computing kpt #: 125 total cpu time spent up to now is 271.2 secs Computing kpt #: 126 total cpu time spent up to now is 273.8 secs Computing kpt #: 127 total cpu time spent up to now is 277.0 secs Computing kpt #: 128 total cpu time spent up to now is 279.9 secs Computing kpt #: 129 total cpu time spent up to now is 282.5 secs Computing kpt #: 130 total cpu time spent up to now is 285.3 secs Computing kpt #: 131 total cpu time spent up to now is 287.9 secs Computing kpt #: 132 total cpu time spent up to now is 290.6 secs Computing kpt #: 133 total cpu time spent up to now is 293.2 secs Computing kpt #: 134 total cpu time spent up to now is 295.9 secs Computing kpt #: 135 total cpu time spent up to now is 298.7 secs Computing kpt #: 136 total cpu time spent up to now is 301.6 secs Computing kpt #: 137 total cpu time spent up to now is 304.3 secs Computing kpt #: 138 total cpu time spent up to now is 307.2 secs Computing kpt #: 139 total cpu time spent up to now is 309.8 secs Computing kpt #: 140 total cpu time spent up to now is 312.1 secs Computing kpt #: 141 total cpu time spent up to now is 314.8 secs Computing kpt #: 142 total cpu time spent up to now is 317.0 secs Computing kpt #: 143 total cpu time spent up to now is 319.3 secs Computing kpt #: 144 total cpu time spent up to now is 321.6 secs Computing kpt #: 145 total cpu time spent up to now is 324.2 secs Computing kpt #: 146 total cpu time spent up to now is 326.5 secs Computing kpt #: 147 total cpu time spent up to now is 328.8 secs Computing kpt #: 148 total cpu time spent up to now is 331.2 secs Computing kpt #: 149 total cpu time spent up to now is 333.5 secs Computing kpt #: 150 total cpu time spent up to now is 335.9 secs Computing kpt #: 151 total cpu time spent up to now is 338.3 secs Computing kpt #: 152 total cpu time spent up to now is 340.5 secs Computing kpt #: 153 total cpu time spent up to now is 342.8 secs Computing kpt #: 154 total cpu time spent up to now is 345.0 secs Computing kpt #: 155 total cpu time spent up to now is 347.1 secs Computing kpt #: 156 total cpu time spent up to now is 349.2 secs Computing kpt #: 157 total cpu time spent up to now is 351.3 secs Computing kpt #: 158 total cpu time spent up to now is 353.5 secs Computing kpt #: 159 total cpu time spent up to now is 355.6 secs Computing kpt #: 160 total cpu time spent up to now is 357.9 secs Computing kpt #: 161 total cpu time spent up to now is 360.1 secs Computing kpt #: 162 total cpu time spent up to now is 362.9 secs Computing kpt #: 163 total cpu time spent up to now is 365.2 secs Computing kpt #: 164 total cpu time spent up to now is 367.4 secs Computing kpt #: 165 total cpu time spent up to now is 369.7 secs Computing kpt #: 166 total cpu time spent up to now is 371.9 secs Computing kpt #: 167 total cpu time spent up to now is 374.1 secs Computing kpt #: 168 total cpu time spent up to now is 376.3 secs Computing kpt #: 169 total cpu time spent up to now is 378.4 secs Computing kpt #: 170 total cpu time spent up to now is 380.6 secs Computing kpt #: 171 total cpu time spent up to now is 382.9 secs Computing kpt #: 172 total cpu time spent up to now is 385.0 secs Computing kpt #: 173 total cpu time spent up to now is 387.4 secs Computing kpt #: 174 total cpu time spent up to now is 389.7 secs Computing kpt #: 175 total cpu time spent up to now is 392.1 secs Computing kpt #: 176 total cpu time spent up to now is 394.4 secs Computing kpt #: 177 total cpu time spent up to now is 396.6 secs Computing kpt #: 178 total cpu time spent up to now is 398.8 secs Computing kpt #: 179 total cpu time spent up to now is 401.0 secs Computing kpt #: 180 total cpu time spent up to now is 403.2 secs Computing kpt #: 181 total cpu time spent up to now is 405.3 secs Computing kpt #: 182 total cpu time spent up to now is 407.5 secs Computing kpt #: 183 total cpu time spent up to now is 409.5 secs Computing kpt #: 184 total cpu time spent up to now is 411.6 secs Computing kpt #: 185 total cpu time spent up to now is 413.7 secs Computing kpt #: 186 total cpu time spent up to now is 415.9 secs Computing kpt #: 187 total cpu time spent up to now is 418.0 secs Computing kpt #: 188 total cpu time spent up to now is 420.3 secs Computing kpt #: 189 total cpu time spent up to now is 422.4 secs Computing kpt #: 190 total cpu time spent up to now is 424.5 secs Computing kpt #: 191 total cpu time spent up to now is 426.6 secs Computing kpt #: 192 total cpu time spent up to now is 428.7 secs Computing kpt #: 193 total cpu time spent up to now is 430.8 secs Computing kpt #: 194 total cpu time spent up to now is 432.9 secs Computing kpt #: 195 total cpu time spent up to now is 435.2 secs Computing kpt #: 196 total cpu time spent up to now is 437.2 secs Computing kpt #: 197 total cpu time spent up to now is 439.3 secs Computing kpt #: 198 total cpu time spent up to now is 441.4 secs Computing kpt #: 199 total cpu time spent up to now is 443.5 secs Computing kpt #: 200 total cpu time spent up to now is 445.5 secs Computing kpt #: 201 total cpu time spent up to now is 447.6 secs Computing kpt #: 202 total cpu time spent up to now is 449.7 secs Computing kpt #: 203 total cpu time spent up to now is 451.7 secs Computing kpt #: 204 total cpu time spent up to now is 453.9 secs Computing kpt #: 205 total cpu time spent up to now is 456.0 secs Computing kpt #: 206 total cpu time spent up to now is 458.1 secs Computing kpt #: 207 total cpu time spent up to now is 460.2 secs Computing kpt #: 208 total cpu time spent up to now is 462.4 secs Computing kpt #: 209 total cpu time spent up to now is 464.6 secs Computing kpt #: 210 total cpu time spent up to now is 466.7 secs Computing kpt #: 211 total cpu time spent up to now is 468.8 secs Computing kpt #: 212 total cpu time spent up to now is 470.9 secs Computing kpt #: 213 total cpu time spent up to now is 472.9 secs Computing kpt #: 214 total cpu time spent up to now is 475.0 secs Computing kpt #: 215 total cpu time spent up to now is 477.1 secs Computing kpt #: 216 total cpu time spent up to now is 479.2 secs Computing kpt #: 217 total cpu time spent up to now is 481.3 secs Computing kpt #: 218 total cpu time spent up to now is 483.4 secs Computing kpt #: 219 total cpu time spent up to now is 485.5 secs Computing kpt #: 220 total cpu time spent up to now is 487.6 secs Computing kpt #: 221 total cpu time spent up to now is 489.7 secs Computing kpt #: 222 total cpu time spent up to now is 491.8 secs Computing kpt #: 223 total cpu time spent up to now is 493.9 secs Computing kpt #: 224 total cpu time spent up to now is 496.0 secs Computing kpt #: 225 total cpu time spent up to now is 498.2 secs Computing kpt #: 226 total cpu time spent up to now is 500.3 secs Computing kpt #: 227 total cpu time spent up to now is 502.4 secs Computing kpt #: 228 total cpu time spent up to now is 504.6 secs Computing kpt #: 229 total cpu time spent up to now is 506.8 secs Computing kpt #: 230 total cpu time spent up to now is 508.8 secs Computing kpt #: 231 total cpu time spent up to now is 510.9 secs Computing kpt #: 232 total cpu time spent up to now is 513.0 secs Computing kpt #: 233 total cpu time spent up to now is 515.2 secs Computing kpt #: 234 total cpu time spent up to now is 517.3 secs Computing kpt #: 235 total cpu time spent up to now is 519.4 secs Computing kpt #: 236 total cpu time spent up to now is 521.5 secs Computing kpt #: 237 total cpu time spent up to now is 523.5 secs Computing kpt #: 238 total cpu time spent up to now is 525.6 secs Computing kpt #: 239 total cpu time spent up to now is 527.7 secs Computing kpt #: 240 total cpu time spent up to now is 529.7 secs Computing kpt #: 241 total cpu time spent up to now is 531.8 secs Computing kpt #: 242 total cpu time spent up to now is 533.9 secs Computing kpt #: 243 total cpu time spent up to now is 535.9 secs Computing kpt #: 244 total cpu time spent up to now is 538.0 secs Computing kpt #: 245 total cpu time spent up to now is 540.1 secs Computing kpt #: 246 total cpu time spent up to now is 542.3 secs Computing kpt #: 247 total cpu time spent up to now is 544.4 secs Computing kpt #: 248 total cpu time spent up to now is 546.6 secs Computing kpt #: 249 total cpu time spent up to now is 549.2 secs Computing kpt #: 250 total cpu time spent up to now is 551.8 secs Computing kpt #: 251 total cpu time spent up to now is 554.5 secs Computing kpt #: 252 total cpu time spent up to now is 557.1 secs Computing kpt #: 253 total cpu time spent up to now is 559.8 secs Computing kpt #: 254 total cpu time spent up to now is 562.4 secs Computing kpt #: 255 total cpu time spent up to now is 565.0 secs Computing kpt #: 256 total cpu time spent up to now is 567.7 secs Computing kpt #: 257 total cpu time spent up to now is 570.3 secs Computing kpt #: 258 total cpu time spent up to now is 573.1 secs Computing kpt #: 259 total cpu time spent up to now is 575.8 secs Computing kpt #: 260 total cpu time spent up to now is 578.5 secs Computing kpt #: 261 total cpu time spent up to now is 580.6 secs Computing kpt #: 262 total cpu time spent up to now is 582.7 secs Computing kpt #: 263 total cpu time spent up to now is 584.8 secs Computing kpt #: 264 total cpu time spent up to now is 586.9 secs Computing kpt #: 265 total cpu time spent up to now is 589.0 secs Computing kpt #: 266 total cpu time spent up to now is 591.0 secs Computing kpt #: 267 total cpu time spent up to now is 593.1 secs Computing kpt #: 268 total cpu time spent up to now is 595.2 secs Computing kpt #: 269 total cpu time spent up to now is 597.2 secs Computing kpt #: 270 total cpu time spent up to now is 599.3 secs Computing kpt #: 271 total cpu time spent up to now is 601.5 secs ethr = 1.72E-08, avg # of iterations = 29.0 total cpu time spent up to now is 601.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7729 PWs) bands (ev): -22.3916 -22.3916 -22.3851 -22.3851 -11.4586 -11.4586 -11.0138 -11.0138 -10.5882 -10.5882 -10.5194 -10.5194 -7.0879 -7.0879 -7.0732 -7.0732 -6.2317 -6.2317 -6.2145 -6.2145 -6.2119 -6.2119 -6.1890 -6.1890 -4.5334 -4.5334 -4.4669 -4.4669 -3.8824 -3.8824 -3.8609 -3.8609 -3.6813 -3.6813 -0.7192 -0.7192 -0.6978 -0.6978 -0.0961 -0.0961 0.4619 0.4619 1.0402 1.0402 1.1514 1.1514 1.2215 1.2215 1.3804 1.3804 1.4679 1.4679 1.4717 1.4717 1.6274 1.6274 1.6832 1.6832 5.4306 5.4306 7.3773 7.3773 9.1277 9.1277 9.1738 9.1738 9.5098 9.5098 9.5845 9.5845 k = 0.0000 0.0000 0.0281 ( 7729 PWs) bands (ev): -22.3916 -22.3916 -22.3851 -22.3851 -11.4582 -11.4582 -11.0139 -11.0139 -10.5882 -10.5882 -10.5194 -10.5194 -7.0880 -7.0880 -7.0731 -7.0731 -6.2318 -6.2318 -6.2145 -6.2145 -6.2118 -6.2118 -6.1890 -6.1890 -4.5335 -4.5335 -4.4673 -4.4673 -3.8826 -3.8826 -3.8610 -3.8610 -3.6828 -3.6828 -0.7205 -0.7205 -0.6976 -0.6976 -0.0957 -0.0957 0.4654 0.4654 1.0394 1.0394 1.1514 1.1514 1.2214 1.2214 1.3796 1.3796 1.4601 1.4601 1.4804 1.4804 1.6270 1.6270 1.6826 1.6826 5.4342 5.4342 7.3801 7.3801 9.1297 9.1297 9.1731 9.1731 9.5119 9.5119 9.5858 9.5858 k = 0.0000 0.0000 0.0561 ( 7739 PWs) bands (ev): -22.3915 -22.3915 -22.3851 -22.3851 -11.4570 -11.4570 -11.0143 -11.0143 -10.5883 -10.5883 -10.5195 -10.5195 -7.0881 -7.0881 -7.0730 -7.0730 -6.2321 -6.2321 -6.2145 -6.2145 -6.2114 -6.2114 -6.1889 -6.1889 -4.5340 -4.5340 -4.4687 -4.4687 -3.8834 -3.8834 -3.8613 -3.8613 -3.6873 -3.6873 -0.7301 -0.7301 -0.6915 -0.6915 -0.0944 -0.0944 0.4753 0.4753 1.0369 1.0369 1.1512 1.1512 1.2212 1.2212 1.3771 1.3771 1.4525 1.4525 1.4911 1.4911 1.6259 1.6259 1.6808 1.6808 5.4449 5.4449 7.3886 7.3886 9.1358 9.1358 9.1710 9.1710 9.5182 9.5182 9.5899 9.5899 k = 0.0000 0.0000 0.0842 ( 7735 PWs) bands (ev): -22.3915 -22.3915 -22.3851 -22.3851 -11.4549 -11.4549 -11.0148 -11.0148 -10.5884 -10.5884 -10.5197 -10.5197 -7.0882 -7.0882 -7.0727 -7.0727 -6.2327 -6.2327 -6.2144 -6.2144 -6.2109 -6.2109 -6.1888 -6.1888 -4.5348 -4.5348 -4.4708 -4.4708 -3.8845 -3.8845 -3.8618 -3.8618 -3.6946 -3.6946 -0.7507 -0.7507 -0.6760 -0.6760 -0.0923 -0.0923 0.4911 0.4911 1.0328 1.0328 1.1507 1.1507 1.2212 1.2212 1.3722 1.3722 1.4476 1.4476 1.5017 1.5017 1.6239 1.6239 1.6780 1.6780 5.4628 5.4628 7.4026 7.4026 9.1458 9.1458 9.1677 9.1677 9.5288 9.5288 9.5966 9.5966 k = 0.0000 0.0000 0.1122 ( 7743 PWs) bands (ev): -22.3915 -22.3915 -22.3851 -22.3851 -11.4521 -11.4521 -11.0156 -11.0156 -10.5885 -10.5885 -10.5199 -10.5199 -7.0885 -7.0885 -7.0723 -7.0723 -6.2334 -6.2334 -6.2144 -6.2144 -6.2102 -6.2102 -6.1887 -6.1887 -4.5360 -4.5360 -4.4739 -4.4739 -3.8862 -3.8862 -3.8626 -3.8626 -3.7046 -3.7046 -0.7799 -0.7799 -0.6529 -0.6529 -0.0894 -0.0894 0.5115 0.5115 1.0273 1.0273 1.1498 1.1498 1.2219 1.2219 1.3644 1.3644 1.4461 1.4461 1.5117 1.5117 1.6211 1.6211 1.6748 1.6748 5.4875 5.4875 7.4221 7.4221 9.1597 9.1597 9.1636 9.1636 9.5435 9.5435 9.6061 9.6061 k = 0.0000 0.0000 0.1403 ( 7753 PWs) bands (ev): -22.3914 -22.3914 -22.3851 -22.3851 -11.4484 -11.4484 -11.0165 -11.0165 -10.5887 -10.5887 -10.5202 -10.5202 -7.0888 -7.0888 -7.0719 -7.0719 -6.2343 -6.2343 -6.2143 -6.2143 -6.2093 -6.2093 -6.1886 -6.1886 -4.5375 -4.5375 -4.4779 -4.4779 -3.8883 -3.8883 -3.8635 -3.8635 -3.7172 -3.7172 -0.8160 -0.8160 -0.6230 -0.6230 -0.0856 -0.0856 0.5354 0.5354 1.0206 1.0206 1.1484 1.1484 1.2237 1.2237 1.3541 1.3541 1.4478 1.4478 1.5208 1.5208 1.6173 1.6173 1.6714 1.6714 5.5191 5.5191 7.4469 7.4469 9.1590 9.1590 9.1773 9.1773 9.5623 9.5623 9.6183 9.6183 k = 0.0000 0.0000 0.1683 ( 7751 PWs) bands (ev): -22.3914 -22.3914 -22.3851 -22.3851 -11.4439 -11.4439 -11.0177 -11.0177 -10.5889 -10.5889 -10.5205 -10.5205 -7.0891 -7.0891 -7.0714 -7.0714 -6.2353 -6.2353 -6.2142 -6.2142 -6.2083 -6.2083 -6.1884 -6.1884 -4.5393 -4.5393 -4.4827 -4.4827 -3.8909 -3.8909 -3.8646 -3.8646 -3.7320 -3.7320 -0.8577 -0.8577 -0.5869 -0.5869 -0.0809 -0.0809 0.5612 0.5612 1.0127 1.0127 1.1465 1.1465 1.2270 1.2270 1.3417 1.3417 1.4521 1.4521 1.5285 1.5285 1.6130 1.6130 1.6684 1.6684 5.5571 5.5571 7.4768 7.4768 9.1543 9.1543 9.1984 9.1984 9.5852 9.5852 9.6333 9.6333 k = 0.0000 0.0000 0.1964 ( 7741 PWs) bands (ev): -22.3913 -22.3913 -22.3851 -22.3851 -11.4387 -11.4387 -11.0191 -11.0191 -10.5891 -10.5891 -10.5209 -10.5209 -7.0895 -7.0895 -7.0708 -7.0708 -6.2365 -6.2365 -6.2141 -6.2141 -6.2072 -6.2072 -6.1881 -6.1881 -4.5414 -4.5414 -4.4884 -4.4884 -3.8939 -3.8939 -3.8659 -3.8659 -3.7487 -3.7487 -0.9040 -0.9040 -0.5448 -0.5448 -0.0753 -0.0753 0.5872 0.5872 1.0039 1.0039 1.1446 1.1446 1.2319 1.2319 1.3279 1.3279 1.4582 1.4582 1.5341 1.5341 1.6089 1.6089 1.6660 1.6660 5.6013 5.6013 7.5116 7.5116 9.1499 9.1499 9.2227 9.2227 9.6121 9.6121 9.6509 9.6509 k = 0.0000 0.0000 0.2244 ( 7737 PWs) bands (ev): -22.3912 -22.3912 -22.3851 -22.3851 -11.4327 -11.4327 -11.0206 -11.0206 -10.5894 -10.5894 -10.5213 -10.5213 -7.0900 -7.0900 -7.0702 -7.0702 -6.2378 -6.2378 -6.2140 -6.2140 -6.2061 -6.2061 -6.1879 -6.1879 -4.5439 -4.5439 -4.4951 -4.4951 -3.8974 -3.8974 -3.8673 -3.8673 -3.7671 -3.7671 -0.9539 -0.9539 -0.4973 -0.4973 -0.0688 -0.0688 0.6121 0.6121 0.9943 0.9943 1.1434 1.1434 1.2385 1.2385 1.3131 1.3131 1.4656 1.4656 1.5369 1.5369 1.6058 1.6058 1.6645 1.6645 5.6515 5.6515 7.5511 7.5511 9.1460 9.1460 9.2501 9.2501 9.6429 9.6429 9.6710 9.6710 k = 0.0000 0.0000 0.2525 ( 7737 PWs) bands (ev): -22.3911 -22.3911 -22.3851 -22.3851 -11.4259 -11.4259 -11.0223 -11.0223 -10.5897 -10.5897 -10.5217 -10.5217 -7.0906 -7.0906 -7.0696 -7.0696 -6.2393 -6.2393 -6.2139 -6.2139 -6.2050 -6.2050 -6.1876 -6.1876 -4.5467 -4.5467 -4.5027 -4.5027 -3.9013 -3.9013 -3.8690 -3.8690 -3.7869 -3.7869 -1.0065 -1.0065 -0.4445 -0.4445 -0.0614 -0.0614 0.6342 0.6342 0.9841 0.9841 1.1437 1.1437 1.2466 1.2466 1.2978 1.2978 1.4739 1.4739 1.5363 1.5363 1.6049 1.6049 1.6638 1.6638 5.7073 5.7073 7.5949 7.5949 9.1430 9.1430 9.2801 9.2801 9.6775 9.6775 9.6936 9.6936 k = 0.0000 0.0000 0.2805 ( 7737 PWs) bands (ev): -22.3910 -22.3910 -22.3851 -22.3851 -11.4185 -11.4185 -11.0242 -11.0242 -10.5900 -10.5900 -10.5222 -10.5222 -7.0912 -7.0912 -7.0689 -7.0689 -6.2408 -6.2408 -6.2139 -6.2139 -6.2039 -6.2039 -6.1873 -6.1873 -4.5498 -4.5498 -4.5113 -4.5113 -3.9056 -3.9056 -3.8710 -3.8710 -3.8076 -3.8076 -1.0612 -1.0612 -0.3869 -0.3869 -0.0531 -0.0531 0.6522 0.6522 0.9735 0.9735 1.1464 1.1464 1.2560 1.2560 1.2823 1.2823 1.4828 1.4828 1.5327 1.5327 1.6062 1.6062 1.6640 1.6640 5.7684 5.7684 7.6428 7.6428 9.1411 9.1411 9.3125 9.3125 9.7157 9.7157 9.7184 9.7184 k = 0.0000 0.0000 0.3086 ( 7739 PWs) bands (ev): -22.3909 -22.3909 -22.3850 -22.3850 -11.4104 -11.4104 -11.0263 -11.0263 -10.5903 -10.5903 -10.5226 -10.5226 -7.0919 -7.0919 -7.0683 -7.0683 -6.2425 -6.2425 -6.2139 -6.2139 -6.2028 -6.2028 -6.1869 -6.1869 -4.5532 -4.5532 -4.5208 -4.5208 -3.9104 -3.9104 -3.8732 -3.8732 -3.8289 -3.8289 -1.1174 -1.1174 -0.3250 -0.3250 -0.0438 -0.0438 0.6650 0.6650 0.9625 0.9625 1.1520 1.1520 1.2629 1.2629 1.2703 1.2703 1.4921 1.4921 1.5273 1.5273 1.6093 1.6093 1.6651 1.6651 5.8345 5.8345 7.6943 7.6943 9.1404 9.1404 9.3469 9.3469 9.7448 9.7448 9.7576 9.7576 k = 0.0000 0.0000 0.3366 ( 7735 PWs) bands (ev): -22.3908 -22.3908 -22.3850 -22.3850 -11.4016 -11.4016 -11.0285 -11.0285 -10.5907 -10.5907 -10.5231 -10.5231 -7.0926 -7.0926 -7.0677 -7.0677 -6.2443 -6.2443 -6.2140 -6.2140 -6.2018 -6.2018 -6.1866 -6.1866 -4.5569 -4.5569 -4.5313 -4.5313 -3.9156 -3.9156 -3.8761 -3.8761 -3.8502 -3.8502 -1.1744 -1.1744 -0.2590 -0.2590 -0.0336 -0.0336 0.6720 0.6720 0.9513 0.9513 1.1606 1.1606 1.2493 1.2493 1.2796 1.2796 1.5013 1.5013 1.5217 1.5217 1.6134 1.6134 1.6672 1.6672 5.9053 5.9053 7.7493 7.7493 9.1410 9.1410 9.3829 9.3829 9.7727 9.7727 9.8027 9.8027 k = 0.0000 0.0000 0.3647 ( 7739 PWs) bands (ev): -22.3907 -22.3907 -22.3850 -22.3850 -11.3922 -11.3922 -11.0309 -11.0309 -10.5911 -10.5911 -10.5235 -10.5235 -7.0935 -7.0935 -7.0670 -7.0670 -6.2462 -6.2462 -6.2142 -6.2142 -6.2008 -6.2008 -6.1862 -6.1862 -4.5610 -4.5610 -4.5428 -4.5428 -3.9211 -3.9211 -3.8825 -3.8825 -3.8682 -3.8682 -1.2319 -1.2319 -0.1895 -0.1895 -0.0223 -0.0223 0.6732 0.6732 0.9399 0.9399 1.1715 1.1715 1.2337 1.2337 1.2922 1.2922 1.5091 1.5091 1.5187 1.5187 1.6180 1.6180 1.6703 1.6703 5.9804 5.9804 7.8073 7.8073 9.1431 9.1431 9.4201 9.4201 9.8016 9.8016 9.8510 9.8510 k = 0.0000 0.0000 0.3927 ( 7731 PWs) bands (ev): -22.3906 -22.3906 -22.3850 -22.3850 -11.3822 -11.3822 -11.0333 -11.0333 -10.5915 -10.5915 -10.5240 -10.5240 -7.0944 -7.0944 -7.0664 -7.0664 -6.2482 -6.2482 -6.2144 -6.2144 -6.1999 -6.1999 -6.1859 -6.1859 -4.5653 -4.5653 -4.5551 -4.5551 -3.9271 -3.9271 -3.8992 -3.8992 -3.8759 -3.8759 -1.2895 -1.2895 -0.1168 -0.1168 -0.0100 -0.0100 0.6689 0.6689 0.9284 0.9284 1.1831 1.1831 1.2188 1.2188 1.3055 1.3055 1.5111 1.5111 1.5236 1.5236 1.6226 1.6226 1.6743 1.6743 6.0596 6.0596 7.8679 7.8679 9.1465 9.1465 9.4579 9.4579 9.8308 9.8308 9.9022 9.9022 k = 0.0000 0.0000 0.4208 ( 7735 PWs) bands (ev): -22.3905 -22.3905 -22.3850 -22.3850 -11.3716 -11.3716 -11.0359 -11.0359 -10.5920 -10.5920 -10.5244 -10.5244 -7.0954 -7.0954 -7.0659 -7.0659 -6.2503 -6.2503 -6.2148 -6.2148 -6.1991 -6.1991 -6.1856 -6.1856 -4.5700 -4.5700 -4.5684 -4.5684 -3.9334 -3.9334 -3.9200 -3.9200 -3.8794 -3.8794 -1.3469 -1.3469 -0.0420 -0.0420 0.0041 0.0041 0.6599 0.6599 0.9170 0.9170 1.1900 1.1900 1.2088 1.2088 1.3194 1.3194 1.5126 1.5126 1.5325 1.5325 1.6273 1.6273 1.6792 1.6792 6.1427 6.1427 7.9308 7.9308 9.1514 9.1514 9.4959 9.4959 9.8598 9.8598 9.9559 9.9559 k = 0.0000 0.0000 0.4488 ( 7727 PWs) bands (ev): -22.3903 -22.3903 -22.3849 -22.3849 -11.3606 -11.3606 -11.0386 -11.0386 -10.5925 -10.5925 -10.5248 -10.5248 -7.0965 -7.0965 -7.0654 -7.0654 -6.2524 -6.2524 -6.2154 -6.2154 -6.1983 -6.1983 -6.1853 -6.1853 -4.5825 -4.5825 -4.5750 -4.5750 -3.9422 -3.9422 -3.9388 -3.9388 -3.8821 -3.8821 -1.4036 -1.4036 0.0131 0.0131 0.0414 0.0414 0.6470 0.6470 0.9057 0.9057 1.1810 1.1810 1.2136 1.2136 1.3336 1.3336 1.5177 1.5177 1.5419 1.5419 1.6322 1.6322 1.6849 1.6849 6.2292 6.2292 7.9955 7.9955 9.1576 9.1576 9.5332 9.5332 9.8878 9.8878 10.0116 10.0116 k = 0.0000 0.0000 0.4769 ( 7739 PWs) bands (ev): -22.3902 -22.3902 -22.3849 -22.3849 -11.3491 -11.3491 -11.0413 -11.0413 -10.5930 -10.5930 -10.5252 -10.5252 -7.0977 -7.0977 -7.0650 -7.0650 -6.2547 -6.2547 -6.2160 -6.2160 -6.1977 -6.1977 -6.1852 -6.1852 -4.5975 -4.5975 -4.5802 -4.5802 -3.9620 -3.9620 -3.9466 -3.9466 -3.8848 -3.8848 -1.4596 -1.4596 0.0304 0.0304 0.1195 0.1195 0.6312 0.6312 0.8946 0.8946 1.1664 1.1664 1.2215 1.2215 1.3480 1.3480 1.5274 1.5274 1.5513 1.5513 1.6374 1.6374 1.6914 1.6914 6.3189 6.3189 8.0616 8.0616 9.1651 9.1651 9.5690 9.5690 9.9141 9.9141 10.0688 10.0688 k = 0.0000 0.0000 0.5049 ( 7727 PWs) bands (ev): -22.3901 -22.3901 -22.3849 -22.3849 -11.3372 -11.3372 -11.0441 -11.0441 -10.5935 -10.5935 -10.5255 -10.5255 -7.0990 -7.0990 -7.0646 -7.0646 -6.2570 -6.2570 -6.2169 -6.2169 -6.1971 -6.1971 -6.1851 -6.1851 -4.6131 -4.6131 -4.5857 -4.5857 -3.9818 -3.9818 -3.9537 -3.9537 -3.8873 -3.8873 -1.5145 -1.5145 0.0467 0.0467 0.2013 0.2013 0.6132 0.6132 0.8837 0.8837 1.1511 1.1511 1.2273 1.2273 1.3624 1.3624 1.5413 1.5413 1.5611 1.5611 1.6430 1.6430 1.6985 1.6985 6.4117 6.4117 8.1287 8.1287 9.1738 9.1738 9.6022 9.6022 9.9379 9.9379 10.1266 10.1266 k = 0.0000 0.0000 0.5330 ( 7729 PWs) bands (ev): -22.3899 -22.3899 -22.3849 -22.3849 -11.3249 -11.3249 -11.0470 -11.0470 -10.5941 -10.5941 -10.5257 -10.5257 -7.1003 -7.1003 -7.0643 -7.0643 -6.2593 -6.2593 -6.2179 -6.2179 -6.1966 -6.1966 -6.1851 -6.1851 -4.6295 -4.6295 -4.5916 -4.5916 -4.0009 -4.0009 -3.9611 -3.9611 -3.8899 -3.8899 -1.5681 -1.5681 0.0637 0.0637 0.2846 0.2846 0.5936 0.5936 0.8732 0.8732 1.1356 1.1356 1.2302 1.2302 1.3768 1.3768 1.5576 1.5576 1.5726 1.5726 1.6495 1.6495 1.7063 1.7063 6.5071 6.5071 8.1963 8.1963 9.1836 9.1836 9.6317 9.6317 9.9585 9.9585 10.1834 10.1834 k = 0.0000 0.0000 0.5610 ( 7715 PWs) bands (ev): -22.3898 -22.3898 -22.3849 -22.3849 -11.3123 -11.3123 -11.0499 -11.0499 -10.5947 -10.5947 -10.5259 -10.5259 -7.1018 -7.1018 -7.0641 -7.0641 -6.2617 -6.2617 -6.2192 -6.2192 -6.1962 -6.1962 -6.1853 -6.1853 -4.6463 -4.6463 -4.5976 -4.5976 -4.0190 -4.0190 -3.9686 -3.9686 -3.8925 -3.8925 -1.6204 -1.6204 0.0816 0.0816 0.3687 0.3687 0.5731 0.5731 0.8629 0.8629 1.1202 1.1202 1.2306 1.2306 1.3911 1.3911 1.5712 1.5712 1.5898 1.5898 1.6568 1.6568 1.7147 1.7147 6.6049 6.6049 8.2638 8.2638 9.1943 9.1943 9.6561 9.6561 9.9749 9.9749 10.2204 10.2204 k = 0.0000 0.0000 0.5891 ( 7707 PWs) bands (ev): -22.3896 -22.3896 -22.3848 -22.3848 -11.2995 -11.2995 -11.0528 -11.0528 -10.5954 -10.5954 -10.5261 -10.5261 -7.1033 -7.1033 -7.0639 -7.0639 -6.2640 -6.2640 -6.2206 -6.2206 -6.1959 -6.1959 -6.1855 -6.1855 -4.6637 -4.6637 -4.6039 -4.6039 -4.0361 -4.0361 -3.9762 -3.9762 -3.8950 -3.8950 -1.6710 -1.6710 0.1004 0.1004 0.4533 0.4533 0.5522 0.5522 0.8531 0.8531 1.1048 1.1048 1.2289 1.2289 1.4051 1.4051 1.5809 1.5809 1.6129 1.6129 1.6654 1.6654 1.7237 1.7237 6.7050 6.7050 8.3307 8.3307 9.2057 9.2057 9.6742 9.6742 9.9861 9.9861 10.1556 10.1556 k = 0.0000 0.0000 0.6172 ( 7707 PWs) bands (ev): -22.3895 -22.3895 -22.3848 -22.3848 -11.2864 -11.2864 -11.0557 -11.0557 -10.5961 -10.5961 -10.5262 -10.5262 -7.1049 -7.1049 -7.0639 -7.0639 -6.2664 -6.2664 -6.2222 -6.2222 -6.1956 -6.1956 -6.1859 -6.1859 -4.6814 -4.6814 -4.6104 -4.6104 -4.0523 -4.0523 -3.9839 -3.9839 -3.8975 -3.8975 -1.7198 -1.7198 0.1200 0.1200 0.5310 0.5310 0.5378 0.5378 0.8437 0.8437 1.0894 1.0894 1.2259 1.2259 1.4187 1.4187 1.5892 1.5892 1.6384 1.6384 1.6755 1.6755 1.7335 1.7335 6.8069 6.8069 8.3962 8.3962 9.2178 9.2178 9.6854 9.6854 9.9884 9.9884 10.0851 10.0851 k = 0.0000 0.0000 0.6452 ( 7709 PWs) bands (ev): -22.3893 -22.3893 -22.3848 -22.3848 -11.2732 -11.2732 -11.0586 -11.0586 -10.5969 -10.5969 -10.5262 -10.5262 -7.1066 -7.1066 -7.0639 -7.0639 -6.2688 -6.2688 -6.2240 -6.2240 -6.1955 -6.1955 -6.1864 -6.1864 -4.6992 -4.6992 -4.6172 -4.6172 -4.0674 -4.0674 -3.9917 -3.9917 -3.9000 -3.9000 -1.7669 -1.7669 0.1404 0.1404 0.5102 0.5102 0.6211 0.6211 0.8349 0.8349 1.0741 1.0741 1.2221 1.2221 1.4318 1.4318 1.5967 1.5967 1.6642 1.6642 1.6876 1.6876 1.7442 1.7442 6.9104 6.9104 8.4598 8.4598 9.2304 9.2304 9.6902 9.6902 9.9625 9.9626 10.0341 10.0341 k = 0.0000 0.0000 0.6733 ( 7689 PWs) bands (ev): -22.3892 -22.3892 -22.3848 -22.3848 -11.2600 -11.2600 -11.0615 -11.0615 -10.5977 -10.5977 -10.5262 -10.5262 -7.1083 -7.1083 -7.0639 -7.0639 -6.2712 -6.2712 -6.2259 -6.2259 -6.1955 -6.1955 -6.1869 -6.1869 -4.7171 -4.7171 -4.6241 -4.6241 -4.0814 -4.0814 -3.9995 -3.9995 -3.9025 -3.9025 -1.8119 -1.8119 0.1617 0.1617 0.4898 0.4898 0.7028 0.7028 0.8271 0.8271 1.0587 1.0587 1.2180 1.2180 1.4443 1.4443 1.6036 1.6036 1.6874 1.6874 1.7037 1.7037 1.7561 1.7561 7.0152 7.0152 8.5206 8.5206 9.2433 9.2433 9.6901 9.6901 9.8941 9.8941 10.0192 10.0192 k = 0.0000 0.0000 0.7013 ( 7697 PWs) bands (ev): -22.3891 -22.3891 -22.3848 -22.3848 -11.2468 -11.2468 -11.0644 -11.0644 -10.5985 -10.5985 -10.5261 -10.5261 -7.1101 -7.1101 -7.0641 -7.0641 -6.2735 -6.2735 -6.2280 -6.2280 -6.1956 -6.1956 -6.1874 -6.1874 -4.7350 -4.7350 -4.6311 -4.6311 -4.0945 -4.0945 -4.0072 -4.0072 -3.9049 -3.9049 -1.8549 -1.8549 0.1836 0.1836 0.4701 0.4701 0.7785 0.7785 0.8237 0.8237 1.0433 1.0433 1.2138 1.2138 1.4564 1.4564 1.6101 1.6101 1.7054 1.7054 1.7254 1.7254 1.7698 1.7698 7.1208 7.1208 8.5777 8.5777 9.2564 9.2564 9.6875 9.6875 9.8130 9.8130 10.0119 10.0119 k = 0.0000 0.0000 0.7294 ( 7701 PWs) bands (ev): -22.3889 -22.3889 -22.3847 -22.3847 -11.2336 -11.2336 -11.0671 -11.0671 -10.5995 -10.5995 -10.5260 -10.5260 -7.1119 -7.1119 -7.0643 -7.0643 -6.2758 -6.2758 -6.2302 -6.2302 -6.1960 -6.1960 -6.1880 -6.1880 -4.7527 -4.7527 -4.6383 -4.6383 -4.1066 -4.1066 -4.0148 -4.0148 -3.9073 -3.9073 -1.8957 -1.8957 0.2063 0.2063 0.4511 0.4511 0.8041 0.8041 0.8678 0.8678 1.0279 1.0279 1.2098 1.2098 1.4682 1.4682 1.6162 1.6162 1.7209 1.7209 1.7489 1.7489 1.7860 1.7860 7.2270 7.2270 8.6303 8.6303 9.2695 9.2695 9.6853 9.6853 9.7296 9.7296 10.0035 10.0035 k = 0.0000 0.0000 0.7574 ( 7709 PWs) bands (ev): -22.3888 -22.3888 -22.3847 -22.3847 -11.2206 -11.2206 -11.0699 -11.0699 -10.6004 -10.6004 -10.5259 -10.5259 -7.1137 -7.1137 -7.0646 -7.0646 -6.2781 -6.2781 -6.2326 -6.2326 -6.1966 -6.1966 -6.1884 -6.1884 -4.7700 -4.7700 -4.6456 -4.6456 -4.1178 -4.1178 -4.0223 -4.0223 -3.9095 -3.9095 -1.9343 -1.9343 0.2295 0.2295 0.4330 0.4330 0.7992 0.7992 0.9384 0.9384 1.0132 1.0132 1.2063 1.2063 1.4798 1.4798 1.6219 1.6219 1.7358 1.7358 1.7718 1.7718 1.8049 1.8049 7.3333 7.3333 8.6776 8.6776 9.2824 9.2824 9.6460 9.6460 9.6864 9.6864 9.9925 9.9925 k = 0.0000 0.0000 0.7855 ( 7721 PWs) bands (ev): -22.3887 -22.3887 -22.3847 -22.3847 -11.2078 -11.2078 -11.0725 -11.0725 -10.6015 -10.6015 -10.5256 -10.5256 -7.1155 -7.1155 -7.0649 -7.0649 -6.2802 -6.2802 -6.2350 -6.2350 -6.1974 -6.1974 -6.1887 -6.1887 -4.7870 -4.7870 -4.6528 -4.6528 -4.1281 -4.1281 -4.0296 -4.0296 -3.9118 -3.9118 -1.9707 -1.9707 0.2532 0.2532 0.4160 0.4160 0.7929 0.7929 0.9876 0.9876 1.0169 1.0169 1.2036 1.2036 1.4916 1.4916 1.6273 1.6273 1.7502 1.7502 1.7942 1.7942 1.8261 1.8261 7.4391 7.4391 8.7190 8.7190 9.2951 9.2951 9.5639 9.5639 9.6925 9.6925 9.9748 9.9748 k = 0.0000 0.0000 0.8135 ( 7721 PWs) bands (ev): -22.3885 -22.3885 -22.3847 -22.3847 -11.1952 -11.1952 -11.0750 -11.0750 -10.6025 -10.6025 -10.5254 -10.5254 -7.1173 -7.1173 -7.0653 -7.0653 -6.2823 -6.2823 -6.2375 -6.2375 -6.1985 -6.1985 -6.1888 -6.1888 -4.8033 -4.8033 -4.6600 -4.6600 -4.1376 -4.1376 -4.0366 -4.0366 -3.9138 -3.9138 -2.0048 -2.0048 0.2773 0.2773 0.4001 0.4001 0.7866 0.7866 0.9768 0.9768 1.0745 1.0745 1.2021 1.2021 1.5040 1.5040 1.6322 1.6322 1.7638 1.7638 1.8174 1.8174 1.8486 1.8486 7.5437 7.5437 8.7544 8.7544 9.3074 9.3074 9.4837 9.4837 9.7054 9.7054 9.8771 9.8771 k = 0.0000 0.0000 0.8416 ( 7713 PWs) bands (ev): -22.3884 -22.3884 -22.3847 -22.3847 -11.1831 -11.1831 -11.0774 -11.0774 -10.6036 -10.6036 -10.5251 -10.5251 -7.1190 -7.1190 -7.0657 -7.0657 -6.2843 -6.2843 -6.2400 -6.2400 -6.1998 -6.1998 -6.1889 -6.1889 -4.8189 -4.8189 -4.6671 -4.6671 -4.1462 -4.1462 -4.0432 -4.0432 -3.9157 -3.9157 -2.0365 -2.0365 0.3016 0.3016 0.3855 0.3855 0.7807 0.7807 0.9608 0.9608 1.1286 1.1286 1.2034 1.2034 1.5171 1.5171 1.6369 1.6369 1.7765 1.7765 1.8422 1.8422 1.8712 1.8712 7.6464 7.6464 8.7842 8.7842 9.3191 9.3191 9.4063 9.4063 9.7257 9.7257 9.7699 9.7699 k = 0.0000 0.0000 0.8696 ( 7721 PWs) bands (ev): -22.3883 -22.3883 -22.3847 -22.3847 -11.1714 -11.1714 -11.0797 -11.0797 -10.6048 -10.6048 -10.5248 -10.5248 -7.1208 -7.1208 -7.0662 -7.0662 -6.2862 -6.2862 -6.2426 -6.2426 -6.2012 -6.2012 -6.1889 -6.1889 -4.8338 -4.8338 -4.6741 -4.6741 -4.1540 -4.1540 -4.0496 -4.0496 -3.9176 -3.9176 -2.0659 -2.0659 0.3254 0.3254 0.3728 0.3728 0.7752 0.7752 0.9441 0.9441 1.1667 1.1667 1.2145 1.2145 1.5313 1.5313 1.6413 1.6413 1.7883 1.7883 1.8686 1.8686 1.8937 1.8937 7.7463 7.7463 8.8096 8.8096 9.3257 9.3257 9.3367 9.3367 9.6643 9.6643 9.7536 9.7536 k = 0.0000 0.0000 0.8977 ( 7719 PWs) bands (ev): -22.3882 -22.3882 -22.3846 -22.3846 -11.1602 -11.1602 -11.0818 -11.0818 -10.6059 -10.6059 -10.5245 -10.5245 -7.1224 -7.1224 -7.0666 -7.0666 -6.2879 -6.2879 -6.2450 -6.2450 -6.2028 -6.2028 -6.1888 -6.1888 -4.8479 -4.8479 -4.6808 -4.6808 -4.1611 -4.1611 -4.0556 -4.0556 -3.9193 -3.9193 -2.0929 -2.0929 0.3444 0.3444 0.3662 0.3662 0.7700 0.7700 0.9269 0.9269 1.1803 1.1803 1.2433 1.2433 1.5466 1.5466 1.6454 1.6454 1.7993 1.7993 1.8956 1.8956 1.9168 1.9168 7.8422 7.8422 8.8321 8.8321 9.2606 9.2606 9.3417 9.3417 9.5626 9.5626 9.7879 9.7879 k = 0.0000 0.0000 0.9257 ( 7719 PWs) bands (ev): -22.3881 -22.3881 -22.3846 -22.3846 -11.1497 -11.1497 -11.0838 -11.0838 -10.6071 -10.6071 -10.5241 -10.5241 -7.1240 -7.1240 -7.0671 -7.0671 -6.2895 -6.2895 -6.2474 -6.2474 -6.2043 -6.2043 -6.1888 -6.1888 -4.8610 -4.8610 -4.6873 -4.6873 -4.1674 -4.1674 -4.0611 -4.0611 -3.9209 -3.9209 -2.1176 -2.1176 0.3426 0.3426 0.3815 0.3815 0.7654 0.7654 0.9093 0.9093 1.1833 1.1833 1.2753 1.2753 1.5629 1.5629 1.6494 1.6494 1.8096 1.8096 1.9204 1.9204 1.9426 1.9426 7.9328 7.9328 8.8538 8.8538 9.1944 9.1944 9.3514 9.3514 9.4661 9.4661 9.8276 9.8276 k = 0.0000 0.0000 0.9538 ( 7715 PWs) bands (ev): -22.3880 -22.3880 -22.3846 -22.3846 -11.1398 -11.1398 -11.0856 -11.0856 -10.6083 -10.6083 -10.5238 -10.5238 -7.1255 -7.1255 -7.0676 -7.0676 -6.2910 -6.2910 -6.2497 -6.2497 -6.2058 -6.2058 -6.1886 -6.1886 -4.8730 -4.8730 -4.6933 -4.6933 -4.1731 -4.1731 -4.0662 -4.0662 -3.9223 -3.9223 -2.1399 -2.1399 0.3337 0.3337 0.4051 0.4051 0.7611 0.7611 0.8914 0.8914 1.1841 1.1841 1.3028 1.3028 1.5794 1.5794 1.6533 1.6533 1.8192 1.8192 1.9410 1.9410 1.9723 1.9723 8.0164 8.0164 8.8768 8.8768 9.1327 9.1327 9.3604 9.3604 9.3757 9.3757 9.8708 9.8708 k = 0.0000 0.0000 0.9818 ( 7711 PWs) bands (ev): -22.3879 -22.3879 -22.3846 -22.3846 -11.1308 -11.1308 -11.0873 -11.0873 -10.6094 -10.6094 -10.5235 -10.5235 -7.1269 -7.1269 -7.0680 -7.0680 -6.2924 -6.2924 -6.2519 -6.2519 -6.2073 -6.2073 -6.1885 -6.1885 -4.8839 -4.8839 -4.6990 -4.6990 -4.1781 -4.1781 -4.0709 -4.0709 -3.9236 -3.9236 -2.1598 -2.1598 0.3249 0.3249 0.4294 0.4294 0.7573 0.7573 0.8734 0.8734 1.1843 1.1843 1.3247 1.3247 1.5953 1.5953 1.6574 1.6574 1.8280 1.8280 1.9582 1.9582 2.0042 2.0042 8.0914 8.0914 8.9032 8.9032 9.0760 9.0760 9.2925 9.2925 9.3686 9.3686 9.8635 9.8635 k = 0.0000 0.0000 1.0099 ( 7701 PWs) bands (ev): -22.3878 -22.3878 -22.3846 -22.3846 -11.1226 -11.1226 -11.0887 -11.0887 -10.6105 -10.6105 -10.5232 -10.5232 -7.1281 -7.1281 -7.0685 -7.0685 -6.2936 -6.2936 -6.2538 -6.2538 -6.2088 -6.2088 -6.1884 -6.1884 -4.8937 -4.8937 -4.7042 -4.7042 -4.1824 -4.1824 -4.0750 -4.0750 -3.9248 -3.9248 -2.1773 -2.1773 0.3170 0.3170 0.4534 0.4534 0.7539 0.7539 0.8553 0.8553 1.1845 1.1845 1.3418 1.3418 1.6097 1.6097 1.6617 1.6617 1.8361 1.8361 1.9729 1.9729 2.0361 2.0361 8.1564 8.1564 8.9345 8.9345 9.0248 9.0248 9.2173 9.2173 9.3759 9.3759 9.8483 9.8483 k = 0.0000 0.0000 1.0379 ( 7695 PWs) bands (ev): -22.3878 -22.3878 -22.3846 -22.3846 -11.1153 -11.1153 -11.0900 -11.0900 -10.6114 -10.6114 -10.5229 -10.5229 -7.1292 -7.1292 -7.0688 -7.0688 -6.2946 -6.2946 -6.2556 -6.2556 -6.2100 -6.2100 -6.1883 -6.1883 -4.9023 -4.9023 -4.7088 -4.7088 -4.1862 -4.1862 -4.0786 -4.0786 -3.9258 -3.9258 -2.1925 -2.1925 0.3101 0.3101 0.4768 0.4768 0.7509 0.7509 0.8374 0.8374 1.1847 1.1847 1.3548 1.3548 1.6218 1.6218 1.6666 1.6666 1.8432 1.8432 1.9855 1.9855 2.0667 2.0667 8.2104 8.2104 8.9707 8.9707 8.9798 8.9798 9.1510 9.1510 9.3823 9.3823 9.8346 9.8346 k = 0.0000 0.0000 1.0660 ( 7701 PWs) bands (ev): -22.3877 -22.3877 -22.3846 -22.3846 -11.1091 -11.1091 -11.0910 -11.0910 -10.6123 -10.6123 -10.5227 -10.5227 -7.1302 -7.1302 -7.0692 -7.0692 -6.2955 -6.2955 -6.2571 -6.2571 -6.2112 -6.2112 -6.1882 -6.1882 -4.9097 -4.9097 -4.7128 -4.7128 -4.1893 -4.1893 -4.0817 -4.0817 -3.9266 -3.9266 -2.2053 -2.2053 0.3042 0.3042 0.4991 0.4991 0.7483 0.7483 0.8199 0.8199 1.1849 1.1849 1.3645 1.3645 1.6312 1.6312 1.6720 1.6720 1.8494 1.8494 1.9962 1.9962 2.0946 2.0946 8.2533 8.2533 8.9398 8.9398 9.0127 9.0127 9.0940 9.0940 9.3877 9.3877 9.8226 9.8226 k = 0.0000 0.0000 1.0940 ( 7711 PWs) bands (ev): -22.3877 -22.3877 -22.3846 -22.3846 -11.1040 -11.1040 -11.0918 -11.0918 -10.6131 -10.6131 -10.5225 -10.5225 -7.1310 -7.1310 -7.0695 -7.0695 -6.2962 -6.2962 -6.2584 -6.2584 -6.2122 -6.2122 -6.1881 -6.1881 -4.9157 -4.9157 -4.7162 -4.7162 -4.1919 -4.1919 -4.0843 -4.0843 -3.9274 -3.9274 -2.2157 -2.2157 0.2994 0.2994 0.5197 0.5197 0.7460 0.7460 0.8035 0.8035 1.1851 1.1851 1.3718 1.3718 1.6377 1.6377 1.6777 1.6777 1.8546 1.8546 2.0049 2.0049 2.1189 2.1189 8.2856 8.2856 8.9069 8.9069 9.0464 9.0464 9.0567 9.0567 9.3923 9.3923 9.8124 9.8124 k = 0.0000 0.0000 1.1221 ( 7711 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.1002 -11.1002 -11.0922 -11.0922 -10.6137 -10.6137 -10.5223 -10.5223 -7.1316 -7.1316 -7.0697 -7.0697 -6.2968 -6.2968 -6.2595 -6.2595 -6.2130 -6.2130 -6.1881 -6.1881 -4.9205 -4.9205 -4.7189 -4.7189 -4.1939 -4.1939 -4.0863 -4.0863 -3.9279 -3.9279 -2.2239 -2.2239 0.2957 0.2957 0.5379 0.5379 0.7440 0.7440 0.7889 0.7889 1.1853 1.1853 1.3769 1.3769 1.6421 1.6421 1.6829 1.6829 1.8588 1.8588 2.0117 2.0117 2.1388 2.1388 8.3087 8.3087 8.8808 8.8808 9.0100 9.0100 9.0980 9.0980 9.3958 9.3958 9.8044 9.8044 k = 0.0000 0.0000 1.1502 ( 7699 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0977 -11.0977 -11.0922 -11.0922 -10.6142 -10.6142 -10.5222 -10.5222 -7.1321 -7.1321 -7.0699 -7.0699 -6.2972 -6.2972 -6.2602 -6.2602 -6.2135 -6.2135 -6.1880 -6.1880 -4.9238 -4.9238 -4.7208 -4.7208 -4.1953 -4.1953 -4.0877 -4.0877 -3.9283 -3.9283 -2.2297 -2.2297 0.2931 0.2931 0.5525 0.5525 0.7423 0.7423 0.7771 0.7771 1.1855 1.1855 1.3804 1.3804 1.6448 1.6448 1.6871 1.6871 1.8618 1.8618 2.0166 2.0166 2.1534 2.1534 8.3240 8.3240 8.8619 8.8619 8.9837 8.9837 9.1333 9.1333 9.3984 9.3984 9.7985 9.7985 k = 0.0000 0.0000 1.1782 ( 7685 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0966 -11.0966 -11.0918 -11.0918 -10.6144 -10.6144 -10.5221 -10.5221 -7.1323 -7.1323 -7.0700 -7.0700 -6.2975 -6.2975 -6.2607 -6.2607 -6.2139 -6.2139 -6.1880 -6.1880 -4.9258 -4.9258 -4.7219 -4.7219 -4.1961 -4.1961 -4.0885 -4.0885 -3.9285 -3.9285 -2.2332 -2.2332 0.2915 0.2915 0.5621 0.5621 0.7409 0.7409 0.7695 0.7695 1.1856 1.1856 1.3824 1.3824 1.6463 1.6463 1.6898 1.6898 1.8636 1.8636 2.0195 2.0195 2.1625 2.1625 8.3326 8.3326 8.8504 8.8504 8.9679 8.9679 9.1572 9.1572 9.3999 9.3999 9.7950 9.7950 k = 0.0000 0.0000 1.2063 ( 7694 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1324 -7.1324 -7.0700 -7.0700 -6.2976 -6.2976 -6.2608 -6.2608 -6.2140 -6.2140 -6.1880 -6.1880 -4.9266 -4.9266 -4.7224 -4.7224 -4.1964 -4.1964 -4.0888 -4.0888 -3.9286 -3.9286 -2.2343 -2.2343 0.2910 0.2910 0.5656 0.5656 0.7404 0.7404 0.7669 0.7669 1.1856 1.1856 1.3830 1.3830 1.6467 1.6467 1.6907 1.6907 1.8642 1.8642 2.0204 2.0204 2.1655 2.1655 8.3354 8.3354 8.8465 8.8465 8.9626 8.9626 9.1657 9.1657 9.4005 9.4005 9.7938 9.7938 k = 0.0000 0.0000 1.2063 ( 7694 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1324 -7.1324 -7.0700 -7.0700 -6.2976 -6.2976 -6.2608 -6.2608 -6.2140 -6.2140 -6.1880 -6.1880 -4.9266 -4.9266 -4.7224 -4.7224 -4.1964 -4.1964 -4.0888 -4.0888 -3.9286 -3.9286 -2.2343 -2.2343 0.2910 0.2910 0.5656 0.5656 0.7404 0.7404 0.7669 0.7669 1.1856 1.1856 1.3830 1.3830 1.6467 1.6467 1.6907 1.6907 1.8642 1.8642 2.0204 2.0204 2.1655 2.1655 8.3354 8.3354 8.8465 8.8465 8.9626 8.9626 9.1657 9.1657 9.4005 9.4005 9.7938 9.7938 k =-0.0104 0.0228 1.2063 ( 7690 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0965 -11.0965 -11.0918 -11.0918 -10.6144 -10.6144 -10.5221 -10.5221 -7.1323 -7.1323 -7.0700 -7.0700 -6.2974 -6.2974 -6.2607 -6.2607 -6.2140 -6.2140 -6.1880 -6.1880 -4.9260 -4.9260 -4.7220 -4.7220 -4.1961 -4.1961 -4.0886 -4.0886 -3.9285 -3.9285 -2.2333 -2.2333 0.2913 0.2913 0.5642 0.5642 0.7409 0.7409 0.7671 0.7671 1.1854 1.1854 1.3824 1.3824 1.6465 1.6465 1.6899 1.6899 1.8640 1.8640 2.0203 2.0203 2.1629 2.1629 8.3386 8.3386 8.8401 8.8401 8.9393 8.9393 9.1878 9.1878 9.4058 9.4058 9.7960 9.7960 k =-0.0207 0.0455 1.2063 ( 7692 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0974 -11.0974 -11.0922 -11.0922 -10.6140 -10.6140 -10.5223 -10.5223 -7.1320 -7.1320 -7.0701 -7.0701 -6.2970 -6.2970 -6.2604 -6.2604 -6.2140 -6.2140 -6.1879 -6.1879 -4.9244 -4.9244 -4.7211 -4.7211 -4.1955 -4.1955 -4.0879 -4.0879 -3.9283 -3.9283 -2.2303 -2.2303 0.2923 0.2923 0.5603 0.5603 0.7426 0.7426 0.7678 0.7678 1.1847 1.1847 1.3807 1.3807 1.6458 1.6458 1.6877 1.6877 1.8634 1.8634 2.0197 2.0197 2.1551 2.1551 8.3481 8.3481 8.8170 8.8170 8.8920 8.8920 9.2360 9.2360 9.4213 9.4213 9.8027 9.8027 k =-0.0311 0.0683 1.2063 ( 7692 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0994 -11.0994 -11.0924 -11.0924 -10.6133 -10.6133 -10.5225 -10.5225 -7.1315 -7.1315 -7.0701 -7.0701 -6.2963 -6.2963 -6.2599 -6.2599 -6.2139 -6.2139 -6.1879 -6.1879 -4.9217 -4.9217 -4.7196 -4.7196 -4.1943 -4.1943 -4.0868 -4.0868 -3.9280 -3.9280 -2.2253 -2.2253 0.2939 0.2939 0.5539 0.5539 0.7452 0.7452 0.7690 0.7690 1.1835 1.1835 1.3777 1.3777 1.6444 1.6444 1.6842 1.6842 1.8623 1.8623 2.0187 2.0187 2.1423 2.1423 8.3636 8.3636 8.7672 8.7672 8.8513 8.8513 9.2908 9.2908 9.4460 9.4460 9.8139 9.8139 k =-0.0415 0.0911 1.2063 ( 7688 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.1025 -11.1025 -11.0921 -11.0921 -10.6123 -10.6123 -10.5229 -10.5229 -7.1308 -7.1308 -7.0702 -7.0702 -6.2954 -6.2954 -6.2592 -6.2592 -6.2139 -6.2139 -6.1878 -6.1878 -4.9179 -4.9179 -4.7175 -4.7175 -4.1928 -4.1928 -4.0852 -4.0852 -3.9275 -3.9275 -2.2183 -2.2183 0.2962 0.2962 0.5453 0.5453 0.7484 0.7484 0.7707 0.7707 1.1818 1.1818 1.3736 1.3736 1.6416 1.6416 1.6800 1.6800 1.8609 1.8609 2.0172 2.0172 2.1249 2.1249 8.3841 8.3841 8.6963 8.6963 8.8211 8.8211 9.3454 9.3454 9.4783 9.4783 9.8294 9.8294 k =-0.0519 0.1139 1.2063 ( 7684 PWs) bands (ev): -22.3876 -22.3876 -22.3847 -22.3847 -11.1068 -11.1068 -11.0916 -11.0916 -10.6111 -10.6111 -10.5233 -10.5233 -7.1300 -7.1300 -7.0702 -7.0702 -6.2942 -6.2942 -6.2583 -6.2583 -6.2138 -6.2138 -6.1877 -6.1877 -4.9131 -4.9131 -4.7149 -4.7149 -4.1907 -4.1907 -4.0832 -4.0832 -3.9269 -3.9269 -2.2093 -2.2093 0.2991 0.2991 0.5349 0.5349 0.7520 0.7520 0.7730 0.7730 1.1794 1.1794 1.3685 1.3685 1.6365 1.6365 1.6758 1.6758 1.8590 1.8590 2.0153 2.0153 2.1033 2.1033 8.4072 8.4072 8.6185 8.6185 8.7933 8.7933 9.3971 9.3971 9.5169 9.5169 9.8491 9.8491 k =-0.0519 0.1139 1.2063 ( 7684 PWs) bands (ev): -22.3876 -22.3876 -22.3847 -22.3847 -11.1068 -11.1068 -11.0916 -11.0916 -10.6111 -10.6111 -10.5233 -10.5233 -7.1300 -7.1300 -7.0702 -7.0702 -6.2942 -6.2942 -6.2583 -6.2583 -6.2138 -6.2138 -6.1877 -6.1877 -4.9131 -4.9131 -4.7149 -4.7149 -4.1907 -4.1907 -4.0832 -4.0832 -3.9269 -3.9269 -2.2093 -2.2093 0.2991 0.2991 0.5349 0.5349 0.7520 0.7520 0.7730 0.7730 1.1794 1.1794 1.3685 1.3685 1.6365 1.6365 1.6758 1.6758 1.8590 1.8590 2.0153 2.0153 2.1033 2.1033 8.4072 8.4072 8.6185 8.6185 8.7933 8.7933 9.3971 9.3971 9.5169 9.5169 9.8491 9.8491 k =-0.0599 0.1314 1.1870 ( 7689 PWs) bands (ev): -22.3876 -22.3876 -22.3847 -22.3847 -11.1108 -11.1108 -11.0911 -11.0911 -10.6100 -10.6100 -10.5237 -10.5237 -7.1291 -7.1291 -7.0703 -7.0703 -6.2930 -6.2930 -6.2574 -6.2574 -6.2137 -6.2137 -6.1876 -6.1876 -4.9084 -4.9084 -4.7123 -4.7123 -4.1888 -4.1888 -4.0813 -4.0813 -3.9264 -3.9264 -2.2003 -2.2003 0.3021 0.3021 0.5248 0.5248 0.7520 0.7520 0.7790 0.7790 1.1769 1.1769 1.3636 1.3636 1.6300 1.6300 1.6730 1.6730 1.8570 1.8570 2.0118 2.0118 2.0839 2.0839 8.4181 8.4181 8.5659 8.5659 8.7732 8.7732 9.4316 9.4316 9.5501 9.5501 9.8678 9.8678 k =-0.0679 0.1490 1.1676 ( 7690 PWs) bands (ev): -22.3876 -22.3876 -22.3847 -22.3847 -11.1156 -11.1156 -11.0907 -11.0907 -10.6087 -10.6087 -10.5242 -10.5242 -7.1281 -7.1281 -7.0703 -7.0703 -6.2917 -6.2917 -6.2562 -6.2562 -6.2135 -6.2135 -6.1876 -6.1876 -4.9028 -4.9028 -4.7089 -4.7089 -4.1863 -4.1863 -4.0787 -4.0787 -3.9257 -3.9257 -2.1890 -2.1890 0.3059 0.3059 0.5123 0.5123 0.7476 0.7476 0.7911 0.7911 1.1737 1.1737 1.3572 1.3572 1.6204 1.6204 1.6707 1.6707 1.8542 1.8542 2.0022 2.0022 2.0651 2.0651 8.4017 8.4017 8.5424 8.5424 8.7557 8.7557 9.4582 9.4582 9.5859 9.5859 9.8900 9.8900 k =-0.0759 0.1666 1.1483 ( 7704 PWs) bands (ev): -22.3877 -22.3877 -22.3848 -22.3848 -11.1211 -11.1211 -11.0904 -11.0904 -10.6072 -10.6072 -10.5248 -10.5248 -7.1269 -7.1269 -7.0703 -7.0703 -6.2902 -6.2902 -6.2548 -6.2548 -6.2133 -6.2133 -6.1875 -6.1875 -4.8965 -4.8965 -4.7047 -4.7047 -4.1835 -4.1835 -4.0754 -4.0754 -3.9249 -3.9249 -2.1752 -2.1752 0.3106 0.3106 0.4980 0.4980 0.7414 0.7414 0.8063 0.8063 1.1695 1.1695 1.3494 1.3494 1.6076 1.6076 1.6689 1.6689 1.8505 1.8505 1.9815 1.9815 2.0523 2.0523 8.3533 8.3533 8.5533 8.5533 8.7408 8.7408 9.4778 9.4778 9.6239 9.6239 9.9159 9.9159 k =-0.0839 0.1841 1.1290 ( 7706 PWs) bands (ev): -22.3877 -22.3877 -22.3848 -22.3848 -11.1273 -11.1273 -11.0902 -11.0902 -10.6056 -10.6056 -10.5254 -10.5254 -7.1255 -7.1255 -7.0703 -7.0703 -6.2885 -6.2885 -6.2532 -6.2532 -6.2129 -6.2129 -6.1874 -6.1874 -4.8896 -4.8896 -4.6996 -4.6996 -4.1804 -4.1804 -4.0714 -4.0714 -3.9239 -3.9239 -2.1588 -2.1588 0.3162 0.3162 0.4826 0.4826 0.7342 0.7342 0.8232 0.8232 1.1639 1.1639 1.3400 1.3400 1.5919 1.5919 1.6675 1.6675 1.8459 1.8459 1.9502 1.9502 2.0464 2.0464 8.2917 8.2917 8.5802 8.5802 8.7287 8.7287 9.4916 9.4916 9.6639 9.6639 9.9453 9.9453 k =-0.0919 0.2017 1.1097 ( 7714 PWs) bands (ev): -22.3877 -22.3877 -22.3849 -22.3849 -11.1340 -11.1340 -11.0900 -11.0900 -10.6040 -10.6040 -10.5261 -10.5261 -7.1240 -7.1240 -7.0703 -7.0703 -6.2867 -6.2867 -6.2513 -6.2513 -6.2124 -6.2124 -6.1873 -6.1873 -4.8825 -4.8825 -4.6935 -4.6935 -4.1770 -4.1770 -4.0666 -4.0666 -3.9228 -3.9228 -2.1398 -2.1398 0.3227 0.3227 0.4664 0.4664 0.7263 0.7263 0.8413 0.8413 1.1564 1.1564 1.3287 1.3287 1.5735 1.5735 1.6660 1.6660 1.8399 1.8399 1.9129 1.9129 2.0440 2.0440 8.2267 8.2267 8.6132 8.6132 8.7198 8.7198 9.5010 9.5010 9.7057 9.7057 9.9782 9.9782 k =-0.0999 0.2193 1.0904 ( 7718 PWs) bands (ev): -22.3878 -22.3878 -22.3849 -22.3849 -11.1412 -11.1412 -11.0899 -11.0899 -10.6022 -10.6022 -10.5269 -10.5269 -7.1223 -7.1223 -7.0703 -7.0703 -6.2847 -6.2847 -6.2492 -6.2492 -6.2119 -6.2119 -6.1873 -6.1873 -4.8753 -4.8753 -4.6865 -4.6865 -4.1736 -4.1736 -4.0608 -4.0608 -3.9216 -3.9216 -2.1179 -2.1179 0.3299 0.3299 0.4497 0.4497 0.7178 0.7178 0.8602 0.8602 1.1462 1.1462 1.3155 1.3155 1.5529 1.5529 1.6643 1.6643 1.8305 1.8305 1.8750 1.8750 2.0432 2.0432 8.1614 8.1614 8.6476 8.6476 8.7157 8.7157 9.5070 9.5070 9.7492 9.7492 10.0147 10.0147 k =-0.1079 0.2369 1.0711 ( 7716 PWs) bands (ev): -22.3878 -22.3878 -22.3850 -22.3850 -11.1488 -11.1488 -11.0898 -11.0898 -10.6004 -10.6004 -10.5277 -10.5277 -7.1205 -7.1205 -7.0702 -7.0702 -6.2825 -6.2825 -6.2469 -6.2469 -6.2114 -6.2114 -6.1872 -6.1872 -4.8683 -4.8683 -4.6785 -4.6785 -4.1700 -4.1700 -4.0541 -4.0541 -3.9202 -3.9202 -2.0932 -2.0932 0.3380 0.3380 0.4329 0.4329 0.7089 0.7089 0.8798 0.8798 1.1319 1.1319 1.3005 1.3005 1.5305 1.5305 1.6620 1.6620 1.8091 1.8091 1.8478 1.8478 2.0431 2.0431 8.0973 8.0973 8.6752 8.6752 8.7235 8.7235 9.5106 9.5106 9.7941 9.7941 10.0546 10.0546 k =-0.1159 0.2544 1.0518 ( 7723 PWs) bands (ev): -22.3878 -22.3878 -22.3850 -22.3850 -11.1568 -11.1568 -11.0897 -11.0897 -10.5985 -10.5985 -10.5285 -10.5285 -7.1186 -7.1186 -7.0701 -7.0701 -6.2803 -6.2803 -6.2445 -6.2445 -6.2108 -6.2108 -6.1872 -6.1872 -4.8617 -4.8617 -4.6698 -4.6698 -4.1665 -4.1665 -4.0464 -4.0464 -3.9188 -3.9188 -2.0654 -2.0654 0.3467 0.3467 0.4162 0.4162 0.6996 0.6996 0.8999 0.8999 1.1119 1.1119 1.2840 1.2840 1.5066 1.5066 1.6588 1.6588 1.7735 1.7735 1.8356 1.8356 2.0433 2.0433 8.0351 8.0351 8.6856 8.6856 8.7524 8.7524 9.5125 9.5125 9.8402 9.8402 10.0980 10.0980 k =-0.1239 0.2720 1.0325 ( 7729 PWs) bands (ev): -22.3879 -22.3879 -22.3851 -22.3851 -11.1650 -11.1650 -11.0896 -11.0896 -10.5967 -10.5967 -10.5294 -10.5294 -7.1166 -7.1166 -7.0700 -7.0700 -6.2779 -6.2779 -6.2419 -6.2419 -6.2102 -6.2102 -6.1872 -6.1872 -4.8555 -4.8555 -4.6602 -4.6602 -4.1632 -4.1632 -4.0378 -4.0378 -3.9172 -3.9172 -2.0344 -2.0344 0.3556 0.3556 0.4003 0.4003 0.6900 0.6900 0.9204 0.9204 1.0839 1.0839 1.2669 1.2669 1.4819 1.4819 1.6542 1.6542 1.7358 1.7358 1.8282 1.8282 2.0437 2.0437 7.9751 7.9751 8.6883 8.6883 8.7923 8.7923 9.5132 9.5132 9.8874 9.8874 10.1448 10.1448 k =-0.1319 0.2896 1.0132 ( 7731 PWs) bands (ev): -22.3879 -22.3879 -22.3851 -22.3851 -11.1734 -11.1734 -11.0896 -11.0896 -10.5949 -10.5949 -10.5302 -10.5302 -7.1145 -7.1145 -7.0699 -7.0699 -6.2754 -6.2754 -6.2392 -6.2392 -6.2095 -6.2095 -6.1872 -6.1872 -4.8498 -4.8498 -4.6500 -4.6500 -4.1600 -4.1600 -4.0281 -4.0281 -3.9155 -3.9155 -2.0002 -2.0002 0.3627 0.3627 0.3873 0.3873 0.6802 0.6802 0.9411 0.9411 1.0456 1.0456 1.2505 1.2505 1.4570 1.4570 1.6475 1.6475 1.7016 1.7016 1.8223 1.8223 2.0442 2.0442 7.9178 7.9178 8.6906 8.6906 8.8352 8.8352 9.5132 9.5132 9.9355 9.9355 10.1947 10.1947 k =-0.1399 0.3071 0.9939 ( 7728 PWs) bands (ev): -22.3880 -22.3880 -22.3852 -22.3852 -11.1819 -11.1819 -11.0896 -11.0896 -10.5932 -10.5932 -10.5311 -10.5311 -7.1123 -7.1123 -7.0698 -7.0698 -6.2729 -6.2729 -6.2364 -6.2364 -6.2089 -6.2089 -6.1872 -6.1872 -4.8446 -4.8446 -4.6394 -4.6394 -4.1571 -4.1571 -4.0176 -4.0176 -3.9137 -3.9137 -1.9625 -1.9625 0.3586 0.3586 0.3865 0.3865 0.6703 0.6703 0.9618 0.9618 0.9961 0.9961 1.2353 1.2353 1.4322 1.4322 1.6370 1.6370 1.6739 1.6739 1.8172 1.8172 2.0446 2.0446 7.8632 7.8632 8.6940 8.6940 8.8786 8.8786 9.5130 9.5130 9.9844 9.9844 10.2475 10.2475 k =-0.1479 0.3247 0.9746 ( 7733 PWs) bands (ev): -22.3880 -22.3880 -22.3852 -22.3852 -11.1904 -11.1904 -11.0895 -11.0895 -10.5915 -10.5915 -10.5321 -10.5321 -7.1102 -7.1102 -7.0697 -7.0697 -6.2702 -6.2702 -6.2335 -6.2335 -6.2083 -6.2083 -6.1872 -6.1872 -4.8401 -4.8401 -4.6285 -4.6285 -4.1544 -4.1544 -4.0063 -4.0063 -3.9118 -3.9118 -1.9212 -1.9212 0.3454 0.3454 0.3960 0.3960 0.6604 0.6604 0.9340 0.9340 0.9841 0.9841 1.2214 1.2214 1.4079 1.4079 1.6210 1.6210 1.6547 1.6547 1.8128 1.8128 2.0451 2.0451 7.8115 7.8115 8.6987 8.6987 8.9210 8.9210 9.5134 9.5134 10.0340 10.0340 10.2988 10.2988 k =-0.1559 0.3423 0.9553 ( 7737 PWs) bands (ev): -22.3881 -22.3881 -22.3853 -22.3853 -11.1988 -11.1988 -11.0895 -11.0895 -10.5899 -10.5899 -10.5330 -10.5330 -7.1079 -7.1079 -7.0696 -7.0696 -6.2676 -6.2676 -6.2306 -6.2306 -6.2077 -6.2077 -6.1872 -6.1872 -4.8361 -4.8361 -4.6177 -4.6177 -4.1520 -4.1520 -3.9944 -3.9944 -3.9098 -3.9098 -1.8762 -1.8762 0.3307 0.3307 0.4080 0.4080 0.6506 0.6506 0.8629 0.8629 1.0053 1.0053 1.2085 1.2085 1.3843 1.3843 1.6023 1.6023 1.6412 1.6412 1.8091 1.8091 2.0456 2.0456 7.7629 7.7629 8.7049 8.7049 8.9614 8.9614 9.5151 9.5151 10.0840 10.0840 10.3100 10.3100 k =-0.1639 0.3598 0.9360 ( 7739 PWs) bands (ev): -22.3881 -22.3881 -22.3854 -22.3854 -11.2071 -11.2071 -11.0895 -11.0895 -10.5883 -10.5883 -10.5338 -10.5338 -7.1057 -7.1057 -7.0695 -7.0695 -6.2649 -6.2649 -6.2277 -6.2277 -6.2072 -6.2072 -6.1873 -6.1873 -4.8326 -4.8326 -4.6069 -4.6069 -4.1498 -4.1498 -3.9821 -3.9821 -3.9077 -3.9077 -1.8275 -1.8275 0.3161 0.3161 0.4209 0.4209 0.6409 0.6409 0.7832 0.7832 1.0269 1.0269 1.1958 1.1958 1.3616 1.3616 1.5847 1.5847 1.6292 1.6292 1.8062 1.8062 2.0460 2.0460 7.7173 7.7173 8.7124 8.7124 8.9983 8.9983 9.5190 9.5190 10.1342 10.1342 10.3134 10.3134 k =-0.1719 0.3774 0.9167 ( 7735 PWs) bands (ev): -22.3882 -22.3882 -22.3854 -22.3854 -11.2151 -11.2151 -11.0895 -11.0895 -10.5869 -10.5869 -10.5347 -10.5347 -7.1035 -7.1035 -7.0694 -7.0694 -6.2622 -6.2622 -6.2249 -6.2249 -6.2067 -6.2067 -6.1873 -6.1873 -4.8295 -4.8295 -4.5964 -4.5964 -4.1478 -4.1478 -3.9697 -3.9697 -3.9053 -3.9053 -1.7749 -1.7749 0.3021 0.3021 0.4338 0.4338 0.6314 0.6314 0.6971 0.6971 1.0485 1.0485 1.1828 1.1828 1.3402 1.3402 1.5695 1.5695 1.6170 1.6170 1.8039 1.8039 2.0464 2.0464 7.6749 7.6749 8.7211 8.7211 9.0306 9.0306 9.5262 9.5262 10.1845 10.1845 10.3161 10.3161 k =-0.1799 0.3950 0.8974 ( 7739 PWs) bands (ev): -22.3882 -22.3882 -22.3855 -22.3855 -11.2228 -11.2228 -11.0895 -11.0895 -10.5856 -10.5856 -10.5356 -10.5356 -7.1013 -7.1013 -7.0694 -7.0694 -6.2595 -6.2595 -6.2222 -6.2222 -6.2063 -6.2063 -6.1874 -6.1874 -4.8269 -4.8269 -4.5864 -4.5864 -4.1461 -4.1461 -3.9574 -3.9574 -3.9028 -3.9028 -1.7184 -1.7184 0.2887 0.2887 0.4447 0.4447 0.6081 0.6081 0.6224 0.6224 1.0699 1.0699 1.1690 1.1690 1.3203 1.3203 1.5566 1.5566 1.6041 1.6041 1.8022 1.8022 2.0467 2.0467 7.6357 7.6357 8.7307 8.7307 9.0573 9.0573 9.5373 9.5373 10.2341 10.2341 10.3178 10.3178 k =-0.1879 0.4125 0.8781 ( 7747 PWs) bands (ev): -22.3883 -22.3883 -22.3855 -22.3855 -11.2302 -11.2302 -11.0895 -11.0895 -10.5844 -10.5844 -10.5364 -10.5364 -7.0992 -7.0992 -7.0693 -7.0693 -6.2568 -6.2568 -6.2196 -6.2196 -6.2059 -6.2059 -6.1875 -6.1875 -4.8246 -4.8246 -4.5770 -4.5770 -4.1446 -4.1446 -3.9457 -3.9457 -3.8999 -3.8999 -1.6580 -1.6580 0.2761 0.2761 0.4414 0.4414 0.5294 0.5294 0.6137 0.6137 1.0905 1.0905 1.1546 1.1546 1.3025 1.3025 1.5456 1.5456 1.5906 1.5906 1.8010 1.8010 2.0470 2.0470 7.5996 7.5996 8.7410 8.7410 9.0778 9.0778 9.5528 9.5528 10.2809 10.2809 10.3198 10.3198 k =-0.1959 0.4301 0.8588 ( 7749 PWs) bands (ev): -22.3883 -22.3883 -22.3856 -22.3856 -11.2371 -11.2371 -11.0895 -11.0895 -10.5832 -10.5832 -10.5372 -10.5372 -7.0972 -7.0972 -7.0693 -7.0693 -6.2541 -6.2541 -6.2172 -6.2172 -6.2056 -6.2056 -6.1875 -6.1875 -4.8227 -4.8227 -4.5682 -4.5682 -4.1433 -4.1433 -3.9350 -3.9350 -3.8963 -3.8963 -1.5938 -1.5938 0.2643 0.2643 0.3804 0.3804 0.5055 0.5055 0.6056 0.6056 1.1073 1.1073 1.1424 1.1424 1.2870 1.2870 1.5360 1.5360 1.5766 1.5766 1.8003 1.8003 2.0473 2.0473 7.5667 7.5667 8.7517 8.7517 9.0921 9.0921 9.5723 9.5723 10.3046 10.3046 10.3413 10.3413 k =-0.2039 0.4477 0.8394 ( 7743 PWs) bands (ev): -22.3884 -22.3884 -22.3856 -22.3856 -11.2436 -11.2436 -11.0895 -11.0895 -10.5822 -10.5822 -10.5379 -10.5379 -7.0952 -7.0952 -7.0694 -7.0694 -6.2516 -6.2516 -6.2150 -6.2150 -6.2053 -6.2053 -6.1876 -6.1876 -4.8210 -4.8210 -4.5601 -4.5601 -4.1421 -4.1421 -3.9259 -3.9259 -3.8919 -3.8919 -1.5258 -1.5258 0.2534 0.2534 0.2850 0.2850 0.5140 0.5140 0.5982 0.5982 1.1061 1.1061 1.1464 1.1464 1.2740 1.2740 1.5268 1.5268 1.5629 1.5629 1.7999 1.7999 2.0475 2.0475 7.5369 7.5369 8.7627 8.7627 9.1008 9.1008 9.5948 9.5948 10.3023 10.3023 10.3839 10.3839 k =-0.2119 0.4653 0.8201 ( 7741 PWs) bands (ev): -22.3884 -22.3884 -22.3857 -22.3857 -11.2495 -11.2495 -11.0895 -11.0895 -10.5813 -10.5813 -10.5385 -10.5385 -7.0934 -7.0934 -7.0694 -7.0694 -6.2491 -6.2491 -6.2132 -6.2132 -6.2049 -6.2049 -6.1877 -6.1877 -4.8195 -4.8195 -4.5528 -4.5528 -4.1411 -4.1411 -3.9186 -3.9186 -3.8863 -3.8863 -1.4542 -1.4542 0.1823 0.1823 0.2437 0.2437 0.5279 0.5279 0.5917 0.5917 1.0896 1.0896 1.1644 1.1644 1.2633 1.2633 1.5169 1.5169 1.5505 1.5505 1.7998 1.7998 2.0477 2.0477 7.5103 7.5103 8.7735 8.7735 9.1051 9.1051 9.6189 9.6189 10.2955 10.2955 10.4228 10.4228 k =-0.2199 0.4828 0.8008 ( 7743 PWs) bands (ev): -22.3884 -22.3884 -22.3857 -22.3857 -11.2548 -11.2548 -11.0895 -11.0895 -10.5805 -10.5805 -10.5391 -10.5391 -7.0917 -7.0917 -7.0695 -7.0695 -6.2467 -6.2467 -6.2117 -6.2117 -6.2045 -6.2045 -6.1877 -6.1877 -4.8183 -4.8183 -4.5464 -4.5464 -4.1402 -4.1402 -3.9134 -3.9134 -3.8798 -3.8798 -1.3794 -1.3794 0.0779 0.0779 0.2349 0.2349 0.5424 0.5424 0.5866 0.5866 1.0698 1.0698 1.1848 1.1848 1.2547 1.2547 1.5050 1.5050 1.5407 1.5407 1.7999 1.7999 2.0479 2.0479 7.4869 7.4869 8.7839 8.7839 9.1060 9.1060 9.6432 9.6432 10.2873 10.2873 10.4487 10.4487 k =-0.2279 0.5004 0.7815 ( 7747 PWs) bands (ev): -22.3885 -22.3885 -22.3857 -22.3857 -11.2595 -11.2595 -11.0895 -11.0895 -10.5798 -10.5798 -10.5397 -10.5397 -7.0901 -7.0901 -7.0696 -7.0696 -6.2446 -6.2446 -6.2108 -6.2108 -6.2039 -6.2039 -6.1877 -6.1877 -4.8173 -4.8173 -4.5408 -4.5408 -4.1395 -4.1395 -3.9097 -3.9097 -3.8729 -3.8729 -1.3017 -1.3017 -0.0267 -0.0267 0.2271 0.2271 0.5550 0.5550 0.5844 0.5844 1.0494 1.0494 1.2051 1.2051 1.2485 1.2485 1.4905 1.4905 1.5338 1.5338 1.8001 1.8001 2.0480 2.0480 7.4666 7.4666 8.7937 8.7937 9.1047 9.1047 9.6662 9.6662 10.2786 10.2786 10.4646 10.4646 k =-0.2359 0.5180 0.7622 ( 7745 PWs) bands (ev): -22.3885 -22.3885 -22.3858 -22.3858 -11.2635 -11.2635 -11.0895 -11.0895 -10.5793 -10.5793 -10.5401 -10.5401 -7.0887 -7.0887 -7.0697 -7.0697 -6.2426 -6.2426 -6.2103 -6.2103 -6.2032 -6.2032 -6.1877 -6.1877 -4.8165 -4.8165 -4.5360 -4.5360 -4.1389 -4.1389 -3.9071 -3.9071 -3.8664 -3.8664 -1.2219 -1.2219 -0.1301 -0.1301 0.2205 0.2205 0.5617 0.5617 0.5883 0.5883 1.0297 1.0297 1.2229 1.2229 1.2458 1.2458 1.4744 1.4744 1.5291 1.5291 1.8004 1.8004 2.0481 2.0481 7.4495 7.4495 8.8026 8.8026 9.1022 9.1022 9.6868 9.6868 10.2703 10.2703 10.4784 10.4784 k =-0.2439 0.5355 0.7429 ( 7743 PWs) bands (ev): -22.3885 -22.3885 -22.3858 -22.3858 -11.2669 -11.2669 -11.0896 -11.0896 -10.5788 -10.5788 -10.5405 -10.5405 -7.0875 -7.0875 -7.0699 -7.0699 -6.2408 -6.2408 -6.2101 -6.2101 -6.2025 -6.2025 -6.1877 -6.1877 -4.8158 -4.8158 -4.5322 -4.5322 -4.1384 -4.1384 -3.9053 -3.9053 -3.8606 -3.8606 -1.1411 -1.1411 -0.2306 -0.2306 0.2151 0.2151 0.5621 0.5621 0.5981 0.5981 1.0116 1.0116 1.2307 1.2307 1.2538 1.2538 1.4577 1.4577 1.5260 1.5260 1.8006 1.8006 2.0482 2.0482 7.4354 7.4354 8.8102 8.8102 9.0992 9.0992 9.7043 9.7043 10.2628 10.2628 10.4924 10.4924 k =-0.2519 0.5531 0.7236 ( 7747 PWs) bands (ev): -22.3885 -22.3885 -22.3858 -22.3858 -11.2695 -11.2695 -11.0896 -11.0896 -10.5784 -10.5784 -10.5408 -10.5408 -7.0866 -7.0866 -7.0700 -7.0700 -6.2394 -6.2394 -6.2101 -6.2101 -6.2018 -6.2018 -6.1877 -6.1877 -4.8154 -4.8154 -4.5291 -4.5291 -4.1381 -4.1381 -3.9040 -3.9040 -3.8558 -3.8558 -1.0617 -1.0617 -0.3256 -0.3256 0.2108 0.2108 0.5606 0.5606 0.6088 0.6088 0.9961 0.9961 1.2301 1.2301 1.2699 1.2699 1.4413 1.4413 1.5239 1.5239 1.8009 1.8009 2.0483 2.0483 7.4245 7.4245 8.8164 8.8164 9.0963 9.0963 9.7181 9.7181 10.2566 10.2566 10.5059 10.5059 k =-0.2599 0.5707 0.7043 ( 7747 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2714 -11.2714 -11.0896 -11.0896 -10.5782 -10.5782 -10.5410 -10.5410 -7.0859 -7.0859 -7.0701 -7.0701 -6.2383 -6.2383 -6.2102 -6.2102 -6.2013 -6.2013 -6.1876 -6.1876 -4.8150 -4.8150 -4.5270 -4.5270 -4.1378 -4.1378 -3.9031 -3.9031 -3.8523 -3.8523 -0.9882 -0.9882 -0.4104 -0.4104 0.2077 0.2077 0.5590 0.5590 0.6177 0.6177 0.9840 0.9840 1.2286 1.2286 1.2854 1.2854 1.4266 1.4266 1.5225 1.5225 1.8011 1.8011 2.0483 2.0483 7.4168 7.4168 8.8209 8.8209 9.0940 9.0940 9.7280 9.7280 10.2520 10.2520 10.5174 10.5174 k =-0.2679 0.5882 0.6850 ( 7735 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2725 -11.2725 -11.0896 -11.0896 -10.5780 -10.5780 -10.5412 -10.5412 -7.0854 -7.0854 -7.0702 -7.0702 -6.2377 -6.2377 -6.2103 -6.2103 -6.2009 -6.2009 -6.1876 -6.1876 -4.8148 -4.8148 -4.5256 -4.5256 -4.1377 -4.1377 -3.9025 -3.9025 -3.8501 -3.8501 -0.9308 -0.9308 -0.4747 -0.4747 0.2059 0.2059 0.5579 0.5579 0.6236 0.6236 0.9764 0.9764 1.2276 1.2276 1.2970 1.2970 1.4157 1.4157 1.5217 1.5217 1.8012 1.8012 2.0484 2.0484 7.4121 7.4121 8.8237 8.8237 9.0925 9.0925 9.7339 9.7339 10.2492 10.2492 10.5252 10.5252 k =-0.2759 0.6058 0.6657 ( 7725 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2729 -11.2729 -11.0896 -11.0896 -10.5780 -10.5780 -10.5412 -10.5412 -7.0853 -7.0853 -7.0702 -7.0702 -6.2375 -6.2375 -6.2104 -6.2104 -6.2008 -6.2008 -6.1876 -6.1876 -4.8147 -4.8147 -4.5252 -4.5252 -4.1376 -4.1376 -3.9024 -3.9024 -3.8493 -3.8493 -0.9076 -0.9076 -0.5002 -0.5002 0.2053 0.2053 0.5575 0.5575 0.6256 0.6256 0.9738 0.9738 1.2272 1.2272 1.3014 1.3014 1.4115 1.4115 1.5215 1.5215 1.8013 1.8013 2.0484 2.0484 7.4105 7.4105 8.8247 8.8247 9.0919 9.0919 9.7359 9.7359 10.2482 10.2482 10.5280 10.5280 k =-0.2759 0.6058 0.6657 ( 7725 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2729 -11.2729 -11.0896 -11.0896 -10.5780 -10.5780 -10.5412 -10.5412 -7.0853 -7.0853 -7.0702 -7.0702 -6.2375 -6.2375 -6.2104 -6.2104 -6.2008 -6.2008 -6.1876 -6.1876 -4.8147 -4.8147 -4.5252 -4.5252 -4.1376 -4.1376 -3.9024 -3.9024 -3.8493 -3.8493 -0.9076 -0.9076 -0.5002 -0.5002 0.2053 0.2053 0.5575 0.5575 0.6256 0.6256 0.9738 0.9738 1.2272 1.2272 1.3014 1.3014 1.4115 1.4115 1.5215 1.5215 1.8013 1.8013 2.0484 2.0484 7.4105 7.4105 8.8247 8.8247 9.0919 9.0919 9.7359 9.7359 10.2482 10.2482 10.5280 10.5280 k =-0.2678 0.5880 0.6461 ( 7743 PWs) bands (ev): -22.3886 -22.3886 -22.3857 -22.3857 -11.2683 -11.2683 -11.0921 -11.0921 -10.5794 -10.5794 -10.5405 -10.5405 -7.0860 -7.0860 -7.0692 -7.0692 -6.2384 -6.2384 -6.2096 -6.2096 -6.2008 -6.2008 -6.1870 -6.1870 -4.8208 -4.8208 -4.5254 -4.5254 -4.1407 -4.1407 -3.9030 -3.9030 -3.8495 -3.8495 -0.9115 -0.9115 -0.4972 -0.4972 0.2030 0.2030 0.5567 0.5567 0.6286 0.6286 0.9715 0.9715 1.2290 1.2290 1.3085 1.3085 1.4077 1.4077 1.5232 1.5232 1.7991 1.7991 2.0481 2.0481 7.4644 7.4644 8.8850 8.8850 9.0681 9.0681 9.7369 9.7369 10.2840 10.2840 10.5407 10.5407 k =-0.2597 0.5702 0.6265 ( 7749 PWs) bands (ev): -22.3887 -22.3887 -22.3857 -22.3857 -11.2652 -11.2652 -11.0939 -11.0939 -10.5807 -10.5807 -10.5398 -10.5398 -7.0867 -7.0867 -7.0683 -7.0683 -6.2392 -6.2392 -6.2088 -6.2088 -6.2010 -6.2010 -6.1864 -6.1864 -4.8246 -4.8246 -4.5255 -4.5255 -4.1427 -4.1427 -3.9034 -3.9034 -3.8496 -3.8496 -0.9150 -0.9150 -0.4954 -0.4954 0.1981 0.1981 0.5595 0.5595 0.6324 0.6324 0.9703 0.9703 1.2315 1.2315 1.3151 1.3151 1.4043 1.4043 1.5253 1.5253 1.7961 1.7961 2.0442 2.0442 7.5010 7.5010 8.9431 8.9431 9.0375 9.0375 9.7380 9.7380 10.3082 10.3082 10.5483 10.5483 k =-0.2516 0.5524 0.6070 ( 7755 PWs) bands (ev): -22.3888 -22.3888 -22.3856 -22.3856 -11.2636 -11.2636 -11.0947 -11.0947 -10.5820 -10.5820 -10.5391 -10.5391 -7.0873 -7.0873 -7.0675 -7.0675 -6.2400 -6.2400 -6.2082 -6.2082 -6.2011 -6.2011 -6.1858 -6.1858 -4.8262 -4.8262 -4.5256 -4.5256 -4.1435 -4.1435 -3.9035 -3.9035 -3.8496 -3.8496 -0.9181 -0.9181 -0.4948 -0.4948 0.1910 0.1910 0.5656 0.5656 0.6370 0.6370 0.9702 0.9702 1.2348 1.2348 1.3213 1.3213 1.4012 1.4012 1.5278 1.5278 1.7924 1.7924 2.0366 2.0366 7.5178 7.5178 8.9873 8.9873 9.0117 9.0117 9.7444 9.7444 10.3192 10.3192 10.5405 10.5405 k =-0.2435 0.5345 0.5874 ( 7747 PWs) bands (ev): -22.3888 -22.3888 -22.3855 -22.3855 -11.2636 -11.2636 -11.0946 -11.0946 -10.5832 -10.5832 -10.5384 -10.5384 -7.0879 -7.0879 -7.0667 -7.0667 -6.2408 -6.2408 -6.2077 -6.2077 -6.2013 -6.2013 -6.1853 -6.1853 -4.8253 -4.8253 -4.5255 -4.5255 -4.1430 -4.1430 -3.9034 -3.9034 -3.8495 -3.8495 -0.9208 -0.9208 -0.4954 -0.4954 0.1819 0.1819 0.5746 0.5746 0.6425 0.6425 0.9713 0.9713 1.2388 1.2388 1.3270 1.3270 1.3986 1.3986 1.5306 1.5306 1.7880 1.7880 2.0256 2.0256 7.5135 7.5135 8.9526 8.9526 9.0557 9.0557 9.7595 9.7595 10.3165 10.3165 10.5169 10.5169 k =-0.2354 0.5167 0.5678 ( 7751 PWs) bands (ev): -22.3889 -22.3889 -22.3854 -22.3854 -11.2652 -11.2652 -11.0935 -11.0935 -10.5843 -10.5843 -10.5376 -10.5376 -7.0885 -7.0885 -7.0661 -7.0661 -6.2415 -6.2415 -6.2073 -6.2073 -6.2014 -6.2014 -6.1847 -6.1847 -4.8222 -4.8222 -4.5254 -4.5254 -4.1415 -4.1415 -3.9031 -3.9031 -3.8493 -3.8493 -0.9230 -0.9230 -0.4972 -0.4972 0.1713 0.1713 0.5861 0.5861 0.6487 0.6487 0.9735 0.9735 1.2435 1.2435 1.3322 1.3322 1.3963 1.3963 1.5339 1.5339 1.7830 1.7830 2.0110 2.0110 7.4878 7.4878 8.9044 8.9044 9.1038 9.1038 9.7844 9.7844 10.3018 10.3018 10.4886 10.4886 k =-0.2272 0.4989 0.5482 ( 7745 PWs) bands (ev): -22.3890 -22.3890 -22.3854 -22.3854 -11.2684 -11.2684 -11.0915 -11.0915 -10.5853 -10.5853 -10.5368 -10.5368 -7.0890 -7.0890 -7.0655 -7.0655 -6.2421 -6.2421 -6.2070 -6.2070 -6.2015 -6.2015 -6.1843 -6.1843 -4.8168 -4.8168 -4.5252 -4.5252 -4.1388 -4.1388 -3.9026 -3.9026 -3.8490 -3.8490 -0.9248 -0.9248 -0.5002 -0.5002 0.1594 0.1594 0.5998 0.5998 0.6557 0.6557 0.9769 0.9769 1.2490 1.2490 1.3368 1.3368 1.3945 1.3945 1.5374 1.5374 1.7774 1.7774 1.9931 1.9931 7.4421 7.4421 8.8514 8.8514 9.1469 9.1469 9.8176 9.8176 10.2779 10.2779 10.4631 10.4631 k =-0.2191 0.4811 0.5286 ( 7749 PWs) bands (ev): -22.3891 -22.3891 -22.3853 -22.3853 -11.2729 -11.2729 -11.0887 -11.0887 -10.5863 -10.5863 -10.5360 -10.5360 -7.0895 -7.0895 -7.0651 -7.0651 -6.2426 -6.2426 -6.2069 -6.2069 -6.2015 -6.2015 -6.1839 -6.1839 -4.8092 -4.8092 -4.5249 -4.5249 -4.1349 -4.1349 -3.9019 -3.9019 -3.8487 -3.8487 -0.9259 -0.9259 -0.5043 -0.5043 0.1467 0.1467 0.6153 0.6153 0.6633 0.6633 0.9813 0.9813 1.2553 1.2553 1.3409 1.3409 1.3931 1.3931 1.5413 1.5413 1.7714 1.7714 1.9719 1.9719 7.3789 7.3789 8.7941 8.7941 9.1837 9.1837 9.8557 9.8557 10.2484 10.2484 10.4439 10.4439 k =-0.2110 0.4633 0.5091 ( 7741 PWs) bands (ev): -22.3892 -22.3892 -22.3853 -22.3853 -11.2787 -11.2787 -11.0853 -11.0853 -10.5871 -10.5871 -10.5351 -10.5351 -7.0899 -7.0899 -7.0647 -7.0647 -6.2431 -6.2431 -6.2070 -6.2070 -6.2015 -6.2015 -6.1835 -6.1835 -4.7996 -4.7996 -4.5245 -4.5245 -4.1298 -4.1298 -3.9009 -3.9009 -3.8482 -3.8482 -0.9266 -0.9266 -0.5095 -0.5095 0.1334 0.1334 0.6322 0.6322 0.6715 0.6715 0.9868 0.9868 1.2621 1.2621 1.3443 1.3443 1.3921 1.3921 1.5454 1.5454 1.7649 1.7649 1.9475 1.9475 7.3011 7.3011 8.7331 8.7331 9.2131 9.2131 9.8927 9.8927 10.2175 10.2175 10.4330 10.4330 k =-0.2029 0.4454 0.4895 ( 7723 PWs) bands (ev): -22.3893 -22.3893 -22.3852 -22.3852 -11.2855 -11.2855 -11.0814 -11.0814 -10.5878 -10.5878 -10.5343 -10.5343 -7.0903 -7.0903 -7.0644 -7.0644 -6.2434 -6.2434 -6.2073 -6.2073 -6.2014 -6.2014 -6.1833 -6.1833 -4.7880 -4.7880 -4.5239 -4.5239 -4.1234 -4.1234 -3.8997 -3.8997 -3.8476 -3.8476 -0.9265 -0.9265 -0.5158 -0.5158 0.1197 0.1197 0.6501 0.6501 0.6802 0.6802 0.9932 0.9932 1.2696 1.2696 1.3472 1.3472 1.3915 1.3915 1.5498 1.5498 1.7580 1.7580 1.9202 1.9202 7.2119 7.2119 8.6685 8.6685 9.2346 9.2346 9.9204 9.9204 10.1908 10.1908 10.4312 10.4312 k =-0.1948 0.4276 0.4699 ( 7723 PWs) bands (ev): -22.3894 -22.3894 -22.3852 -22.3852 -11.2932 -11.2932 -11.0771 -11.0771 -10.5885 -10.5885 -10.5334 -10.5334 -7.0906 -7.0906 -7.0642 -7.0642 -6.2437 -6.2437 -6.2076 -6.2076 -6.2012 -6.2012 -6.1831 -6.1831 -4.7748 -4.7748 -4.5234 -4.5234 -4.1158 -4.1158 -3.8983 -3.8983 -3.8469 -3.8469 -0.9258 -0.9258 -0.5229 -0.5229 0.1058 0.1058 0.6688 0.6688 0.6895 0.6895 1.0005 1.0005 1.2776 1.2776 1.3495 1.3495 1.3914 1.3914 1.5545 1.5545 1.7508 1.7508 1.8902 1.8902 7.1144 7.1144 8.6007 8.6007 9.2482 9.2482 9.9294 9.9294 10.1738 10.1738 10.4381 10.4381 k =-0.1867 0.4098 0.4503 ( 7731 PWs) bands (ev): -22.3895 -22.3895 -22.3851 -22.3851 -11.3016 -11.3016 -11.0727 -11.0727 -10.5890 -10.5890 -10.5326 -10.5326 -7.0908 -7.0908 -7.0641 -7.0641 -6.2438 -6.2438 -6.2080 -6.2080 -6.2011 -6.2011 -6.1831 -6.1831 -4.7601 -4.7601 -4.5228 -4.5228 -4.1070 -4.1070 -3.8968 -3.8968 -3.8461 -3.8461 -0.9244 -0.9244 -0.5309 -0.5309 0.0919 0.0919 0.6869 0.6869 0.7001 0.7001 1.0086 1.0086 1.2861 1.2861 1.3512 1.3512 1.3917 1.3917 1.5593 1.5593 1.7432 1.7432 1.8578 1.8578 7.0111 7.0111 8.5304 8.5304 9.2544 9.2544 9.9154 9.9154 10.1662 10.1662 10.4508 10.4508 k =-0.1785 0.3920 0.4307 ( 7727 PWs) bands (ev): -22.3897 -22.3897 -22.3851 -22.3851 -11.3106 -11.3106 -11.0681 -11.0681 -10.5895 -10.5895 -10.5317 -10.5317 -7.0911 -7.0911 -7.0641 -7.0641 -6.2439 -6.2439 -6.2085 -6.2085 -6.2009 -6.2009 -6.1831 -6.1831 -4.7442 -4.7442 -4.5221 -4.5221 -4.0968 -4.0968 -3.8952 -3.8952 -3.8452 -3.8452 -0.9222 -0.9222 -0.5396 -0.5396 0.0781 0.0781 0.7014 0.7014 0.7148 0.7148 1.0173 1.0173 1.2947 1.2947 1.3524 1.3524 1.3924 1.3924 1.5642 1.5642 1.7353 1.7353 1.8234 1.8234 6.9042 6.9042 8.4579 8.4579 9.2542 9.2542 9.8832 9.8832 10.1597 10.1597 10.4529 10.4535 k =-0.1704 0.3742 0.4112 ( 7741 PWs) bands (ev): -22.3898 -22.3898 -22.3851 -22.3851 -11.3199 -11.3199 -11.0636 -11.0636 -10.5899 -10.5899 -10.5308 -10.5308 -7.0912 -7.0912 -7.0642 -7.0642 -6.2439 -6.2439 -6.2090 -6.2090 -6.2008 -6.2008 -6.1832 -6.1832 -4.7273 -4.7273 -4.5213 -4.5213 -4.0854 -4.0854 -3.8934 -3.8934 -3.8440 -3.8440 -0.9192 -0.9192 -0.5489 -0.5489 0.0645 0.0645 0.7114 0.7114 0.7341 0.7341 1.0267 1.0267 1.3034 1.3034 1.3531 1.3531 1.3935 1.3935 1.5692 1.5692 1.7272 1.7272 1.7875 1.7875 6.7956 6.7956 8.3840 8.3840 9.2488 9.2488 9.8403 9.8403 10.1460 10.1460 10.4062 10.4136 k =-0.1623 0.3564 0.3916 ( 7745 PWs) bands (ev): -22.3899 -22.3899 -22.3851 -22.3851 -11.3295 -11.3295 -11.0591 -11.0591 -10.5901 -10.5901 -10.5300 -10.5300 -7.0913 -7.0913 -7.0644 -7.0644 -6.2438 -6.2438 -6.2095 -6.2095 -6.2008 -6.2008 -6.1834 -6.1834 -4.7097 -4.7097 -4.5204 -4.5204 -4.0727 -4.0727 -3.8915 -3.8915 -3.8426 -3.8426 -0.9152 -0.9152 -0.5588 -0.5588 0.0511 0.0511 0.7195 0.7195 0.7549 0.7549 1.0365 1.0365 1.3118 1.3118 1.3533 1.3533 1.3950 1.3950 1.5742 1.5742 1.7188 1.7188 1.7508 1.7508 6.6868 6.6868 8.3093 8.3093 9.2395 9.2395 9.7918 9.7918 10.1224 10.1224 10.3533 10.3533 k =-0.1542 0.3385 0.3720 ( 7745 PWs) bands (ev): -22.3900 -22.3900 -22.3851 -22.3851 -11.3393 -11.3393 -11.0547 -11.0547 -10.5903 -10.5903 -10.5291 -10.5291 -7.0914 -7.0914 -7.0646 -7.0646 -6.2436 -6.2436 -6.2100 -6.2100 -6.2008 -6.2008 -6.1836 -6.1836 -4.6918 -4.6918 -4.5194 -4.5194 -4.0588 -4.0588 -3.8894 -3.8894 -3.8409 -3.8409 -0.9103 -0.9103 -0.5691 -0.5691 0.0381 0.0381 0.7263 0.7263 0.7762 0.7762 1.0467 1.0467 1.3195 1.3195 1.3530 1.3530 1.3969 1.3969 1.5789 1.5789 1.7102 1.7102 1.7143 1.7143 6.5790 6.5790 8.2345 8.2345 9.2279 9.2279 9.7408 9.7408 10.0902 10.0902 10.2881 10.2881 k =-0.1461 0.3207 0.3524 ( 7749 PWs) bands (ev): -22.3902 -22.3902 -22.3850 -22.3850 -11.3492 -11.3492 -11.0505 -11.0505 -10.5905 -10.5905 -10.5283 -10.5283 -7.0914 -7.0914 -7.0650 -7.0650 -6.2433 -6.2433 -6.2105 -6.2105 -6.2009 -6.2009 -6.1840 -6.1840 -4.6738 -4.6738 -4.5182 -4.5182 -4.0437 -4.0437 -3.8873 -3.8873 -3.8388 -3.8388 -0.9045 -0.9045 -0.5796 -0.5796 0.0255 0.0255 0.7316 0.7316 0.7977 0.7977 1.0572 1.0572 1.3262 1.3262 1.3522 1.3522 1.3990 1.3990 1.5830 1.5830 1.6792 1.6792 1.7014 1.7014 6.4732 6.4732 8.1601 8.1601 9.2149 9.2149 9.6887 9.6887 10.0518 10.0518 10.2225 10.2225 k =-0.1380 0.3029 0.3328 ( 7751 PWs) bands (ev): -22.3903 -22.3903 -22.3850 -22.3850 -11.3590 -11.3590 -11.0465 -11.0465 -10.5905 -10.5905 -10.5274 -10.5274 -7.0914 -7.0914 -7.0653 -7.0653 -6.2429 -6.2429 -6.2110 -6.2110 -6.2011 -6.2011 -6.1843 -6.1843 -4.6561 -4.6561 -4.5169 -4.5169 -4.0276 -4.0276 -3.8851 -3.8851 -3.8362 -3.8362 -0.8975 -0.8975 -0.5903 -0.5903 0.0134 0.0134 0.7350 0.7350 0.8191 0.8191 1.0677 1.0677 1.3314 1.3314 1.3504 1.3504 1.4014 1.4014 1.5853 1.5853 1.6483 1.6483 1.6924 1.6924 6.3702 6.3702 8.0868 8.0868 9.2016 9.2016 9.6366 9.6366 10.0094 10.0094 10.1577 10.1577 k =-0.1299 0.2851 0.3133 ( 7747 PWs) bands (ev): -22.3904 -22.3904 -22.3850 -22.3850 -11.3687 -11.3687 -11.0427 -11.0427 -10.5905 -10.5905 -10.5266 -10.5266 -7.0913 -7.0913 -7.0658 -7.0658 -6.2424 -6.2424 -6.2114 -6.2114 -6.2014 -6.2014 -6.1847 -6.1847 -4.6389 -4.6389 -4.5154 -4.5154 -4.0108 -4.0108 -3.8829 -3.8829 -3.8330 -3.8330 -0.8895 -0.8895 -0.6011 -0.6011 0.0017 0.0017 0.7362 0.7362 0.8405 0.8405 1.0782 1.0782 1.3348 1.3348 1.3471 1.3471 1.4038 1.4038 1.5825 1.5825 1.6264 1.6264 1.6832 1.6832 6.2706 6.2706 8.0150 8.0150 9.1888 9.1888 9.5854 9.5854 9.9647 9.9647 10.0947 10.0947 k =-0.1217 0.2673 0.2937 ( 7759 PWs) bands (ev): -22.3905 -22.3905 -22.3850 -22.3850 -11.3782 -11.3782 -11.0391 -11.0391 -10.5905 -10.5905 -10.5258 -10.5258 -7.0912 -7.0912 -7.0663 -7.0663 -6.2419 -6.2419 -6.2119 -6.2119 -6.2018 -6.2018 -6.1851 -6.1851 -4.6225 -4.6225 -4.5138 -4.5138 -3.9936 -3.9936 -3.8807 -3.8807 -3.8290 -3.8290 -0.8804 -0.8804 -0.6118 -0.6118 -0.0095 -0.0095 0.7347 0.7347 0.8614 0.8614 1.0886 1.0886 1.3348 1.3348 1.3429 1.3429 1.4061 1.4061 1.5716 1.5716 1.6183 1.6183 1.6740 1.6740 6.1751 6.1751 7.9454 7.9454 9.1771 9.1771 9.5355 9.5355 9.9191 9.9191 10.0338 10.0338 k =-0.1136 0.2495 0.2741 ( 7739 PWs) bands (ev): -22.3906 -22.3906 -22.3850 -22.3850 -11.3874 -11.3874 -11.0357 -11.0357 -10.5904 -10.5904 -10.5251 -10.5251 -7.0910 -7.0910 -7.0668 -7.0668 -6.2413 -6.2413 -6.2122 -6.2122 -6.2022 -6.2022 -6.1856 -6.1856 -4.6072 -4.6072 -4.5117 -4.5117 -3.9764 -3.9764 -3.8784 -3.8784 -3.8238 -3.8238 -0.8702 -0.8702 -0.6224 -0.6224 -0.0201 -0.0201 0.7300 0.7300 0.8820 0.8820 1.0986 1.0986 1.3266 1.3266 1.3420 1.3420 1.4083 1.4083 1.5590 1.5590 1.6187 1.6187 1.6649 1.6649 6.0842 6.0842 7.8782 7.8782 9.1669 9.1669 9.4873 9.4873 9.8735 9.8735 9.9755 9.9755 k =-0.1055 0.2316 0.2545 ( 7743 PWs) bands (ev): -22.3908 -22.3908 -22.3850 -22.3850 -11.3963 -11.3963 -11.0326 -11.0326 -10.5902 -10.5902 -10.5244 -10.5244 -7.0909 -7.0909 -7.0674 -7.0674 -6.2406 -6.2406 -6.2126 -6.2126 -6.2028 -6.2028 -6.1860 -6.1860 -4.5932 -4.5932 -4.5094 -4.5094 -3.9598 -3.9598 -3.8762 -3.8762 -3.8172 -3.8172 -0.8590 -0.8590 -0.6327 -0.6327 -0.0301 -0.0301 0.7215 0.7215 0.9019 0.9019 1.1082 1.1082 1.3125 1.3125 1.3428 1.3428 1.4104 1.4104 1.5507 1.5507 1.6215 1.6215 1.6562 1.6562 5.9981 5.9981 7.8141 7.8141 9.1586 9.1586 9.4413 9.4413 9.8289 9.8289 9.9203 9.9203 k =-0.0974 0.2138 0.2349 ( 7743 PWs) bands (ev): -22.3909 -22.3909 -22.3851 -22.3851 -11.4048 -11.4048 -11.0298 -11.0298 -10.5901 -10.5901 -10.5237 -10.5237 -7.0906 -7.0906 -7.0679 -7.0679 -6.2399 -6.2399 -6.2129 -6.2129 -6.2034 -6.2034 -6.1864 -6.1864 -4.5808 -4.5808 -4.5065 -4.5065 -3.9444 -3.9444 -3.8741 -3.8741 -3.8089 -3.8089 -0.8467 -0.8467 -0.6426 -0.6426 -0.0395 -0.0395 0.7089 0.7089 0.9210 0.9210 1.1172 1.1172 1.2954 1.2954 1.3440 1.3440 1.4125 1.4125 1.5471 1.5471 1.6244 1.6244 1.6488 1.6488 5.9172 5.9172 7.7532 7.7532 9.1524 9.1524 9.3976 9.3976 9.7858 9.7858 9.8685 9.8685 k =-0.0893 0.1960 0.2154 ( 7745 PWs) bands (ev): -22.3910 -22.3910 -22.3851 -22.3851 -11.4129 -11.4129 -11.0272 -11.0272 -10.5899 -10.5899 -10.5230 -10.5230 -7.0904 -7.0904 -7.0686 -7.0686 -6.2391 -6.2391 -6.2132 -6.2132 -6.2042 -6.2042 -6.1868 -6.1868 -4.5700 -4.5700 -4.5032 -4.5032 -3.9308 -3.9308 -3.8721 -3.8721 -3.7987 -3.7987 -0.8335 -0.8335 -0.6521 -0.6521 -0.0483 -0.0483 0.6922 0.6922 0.9391 0.9391 1.1253 1.1253 1.2777 1.2777 1.3455 1.3455 1.4148 1.4148 1.5468 1.5468 1.6251 1.6251 1.6447 1.6447 5.8419 5.8419 7.6961 7.6961 9.1482 9.1482 9.3565 9.3565 9.7448 9.7448 9.8203 9.8203 k =-0.0812 0.1782 0.1958 ( 7737 PWs) bands (ev): -22.3911 -22.3911 -22.3851 -22.3851 -11.4204 -11.4204 -11.0248 -11.0248 -10.5897 -10.5897 -10.5224 -10.5224 -7.0901 -7.0901 -7.0692 -7.0692 -6.2383 -6.2383 -6.2135 -6.2135 -6.2050 -6.2050 -6.1872 -6.1872 -4.5610 -4.5610 -4.4993 -4.4993 -3.9193 -3.9193 -3.8702 -3.8702 -3.7865 -3.7865 -0.8195 -0.8195 -0.6610 -0.6610 -0.0563 -0.0563 0.6715 0.6715 0.9561 0.9561 1.1325 1.1325 1.2612 1.2612 1.3476 1.3476 1.4172 1.4172 1.5478 1.5478 1.6222 1.6222 1.6455 1.6455 5.7723 5.7723 7.6429 7.6429 9.1462 9.1462 9.3184 9.3184 9.7062 9.7062 9.7763 9.7763 k =-0.0730 0.1604 0.1762 ( 7749 PWs) bands (ev): -22.3912 -22.3912 -22.3851 -22.3851 -11.4274 -11.4274 -11.0227 -11.0227 -10.5895 -10.5895 -10.5219 -10.5219 -7.0898 -7.0898 -7.0698 -7.0698 -6.2374 -6.2374 -6.2137 -6.2137 -6.2058 -6.2058 -6.1876 -6.1876 -4.5538 -4.5538 -4.4950 -4.4950 -3.9099 -3.9099 -3.8686 -3.8686 -3.7728 -3.7728 -0.8049 -0.8049 -0.6693 -0.6693 -0.0637 -0.0637 0.6472 0.6472 0.9718 0.9718 1.1385 1.1385 1.2473 1.2473 1.3501 1.3501 1.4198 1.4198 1.5480 1.5480 1.6184 1.6184 1.6492 1.6492 5.7087 5.7087 7.5940 7.5940 9.1461 9.1461 9.2833 9.2833 9.6704 9.6704 9.7365 9.7365 k =-0.0649 0.1425 0.1566 ( 7747 PWs) bands (ev): -22.3912 -22.3912 -22.3851 -22.3851 -11.4337 -11.4337 -11.0208 -11.0208 -10.5892 -10.5892 -10.5214 -10.5214 -7.0895 -7.0895 -7.0704 -7.0704 -6.2365 -6.2365 -6.2139 -6.2139 -6.2067 -6.2067 -6.1879 -6.1879 -4.5481 -4.5481 -4.4904 -4.4904 -3.9024 -3.9024 -3.8670 -3.8670 -3.7581 -3.7581 -0.7900 -0.7900 -0.6768 -0.6768 -0.0704 -0.0704 0.6203 0.6203 0.9861 0.9861 1.1432 1.1432 1.2365 1.2365 1.3534 1.3534 1.4227 1.4227 1.5461 1.5461 1.6159 1.6159 1.6540 1.6540 5.6513 5.6513 7.5497 7.5497 9.1478 9.1478 9.2514 9.2514 9.6378 9.6378 9.7013 9.7013 k =-0.0568 0.1247 0.1371 ( 7753 PWs) bands (ev): -22.3913 -22.3913 -22.3851 -22.3851 -11.4394 -11.4394 -11.0191 -11.0191 -10.5890 -10.5890 -10.5209 -10.5209 -7.0892 -7.0892 -7.0709 -7.0709 -6.2356 -6.2356 -6.2141 -6.2141 -6.2076 -6.2076 -6.1881 -6.1881 -4.5437 -4.5437 -4.4857 -4.4857 -3.8967 -3.8967 -3.8656 -3.8656 -3.7432 -3.7432 -0.7752 -0.7752 -0.6836 -0.6836 -0.0764 -0.0764 0.5919 0.5919 0.9989 0.9989 1.1466 1.1466 1.2290 1.2290 1.3572 1.3572 1.4259 1.4259 1.5412 1.5412 1.6157 1.6157 1.6592 1.6592 5.6002 5.6002 7.5100 7.5100 9.1508 9.1508 9.2229 9.2229 9.6085 9.6085 9.6709 9.6709 k =-0.0487 0.1069 0.1175 ( 7743 PWs) bands (ev): -22.3914 -22.3914 -22.3851 -22.3851 -11.4444 -11.4444 -11.0177 -11.0177 -10.5888 -10.5888 -10.5205 -10.5205 -7.0889 -7.0889 -7.0715 -7.0715 -6.2348 -6.2348 -6.2142 -6.2142 -6.2086 -6.2086 -6.1884 -6.1884 -4.5404 -4.5404 -4.4812 -4.4812 -3.8922 -3.8922 -3.8644 -3.8644 -3.7287 -3.7287 -0.7609 -0.7609 -0.6894 -0.6894 -0.0816 -0.0816 0.5633 0.5633 1.0100 1.0100 1.1487 1.1487 1.2244 1.2244 1.3615 1.3615 1.4295 1.4295 1.5336 1.5336 1.6172 1.6172 1.6645 1.6645 5.5557 5.5557 7.4753 7.4753 9.1548 9.1548 9.1980 9.1980 9.5828 9.5828 9.6454 9.6454 k =-0.0406 0.0891 0.0979 ( 7745 PWs) bands (ev): -22.3914 -22.3914 -22.3851 -22.3851 -11.4487 -11.4487 -11.0165 -11.0165 -10.5887 -10.5887 -10.5202 -10.5202 -7.0887 -7.0887 -7.0719 -7.0719 -6.2340 -6.2340 -6.2143 -6.2143 -6.2094 -6.2094 -6.1886 -6.1886 -4.5380 -4.5380 -4.4771 -4.4771 -3.8889 -3.8889 -3.8634 -3.8634 -3.7153 -3.7153 -0.7478 -0.7478 -0.6941 -0.6941 -0.0860 -0.0860 0.5361 0.5361 1.0193 1.0193 1.1500 1.1500 1.2220 1.2220 1.3660 1.3660 1.4337 1.4337 1.5242 1.5242 1.6195 1.6195 1.6695 1.6695 5.5177 5.5177 7.4456 7.4456 9.1593 9.1593 9.1767 9.1767 9.5607 9.5607 9.6247 9.6247 k =-0.0325 0.0713 0.0783 ( 7747 PWs) bands (ev): -22.3915 -22.3915 -22.3851 -22.3851 -11.4523 -11.4523 -11.0155 -11.0155 -10.5885 -10.5885 -10.5199 -10.5199 -7.0884 -7.0884 -7.0724 -7.0724 -6.2332 -6.2332 -6.2144 -6.2144 -6.2102 -6.2102 -6.1887 -6.1887 -4.5362 -4.5362 -4.4736 -4.4736 -3.8864 -3.8864 -3.8625 -3.8625 -3.7037 -3.7037 -0.7364 -0.7364 -0.6975 -0.6975 -0.0896 -0.0896 0.5114 0.5114 1.0269 1.0269 1.1507 1.1507 1.2210 1.2210 1.3705 1.3705 1.4387 1.4387 1.5136 1.5136 1.6220 1.6220 1.6740 1.6740 5.4865 5.4865 7.4212 7.4212 9.1592 9.1592 9.1638 9.1638 9.5425 9.5425 9.6089 9.6089 k =-0.0243 0.0535 0.0587 ( 7735 PWs) bands (ev): -22.3915 -22.3915 -22.3851 -22.3851 -11.4550 -11.4550 -11.0148 -11.0148 -10.5884 -10.5884 -10.5197 -10.5197 -7.0882 -7.0882 -7.0727 -7.0727 -6.2326 -6.2326 -6.2144 -6.2144 -6.2109 -6.2109 -6.1888 -6.1888 -4.5349 -4.5349 -4.4707 -4.4707 -3.8845 -3.8845 -3.8618 -3.8618 -3.6941 -3.6941 -0.7277 -0.7277 -0.6993 -0.6993 -0.0924 -0.0924 0.4907 0.4907 1.0328 1.0328 1.1511 1.1511 1.2209 1.2209 1.3745 1.3745 1.4447 1.4447 1.5025 1.5025 1.6243 1.6243 1.6779 1.6779 5.4621 5.4621 7.4020 7.4020 9.1454 9.1454 9.1678 9.1678 9.5283 9.5283 9.5975 9.5975 k =-0.0162 0.0356 0.0392 ( 7735 PWs) bands (ev): -22.3915 -22.3915 -22.3851 -22.3851 -11.4570 -11.4570 -11.0143 -11.0143 -10.5883 -10.5883 -10.5195 -10.5195 -7.0881 -7.0881 -7.0730 -7.0730 -6.2321 -6.2321 -6.2145 -6.2145 -6.2115 -6.2115 -6.1889 -6.1889 -4.5340 -4.5340 -4.4686 -4.4686 -3.8833 -3.8833 -3.8613 -3.8613 -3.6871 -3.6871 -0.7222 -0.7222 -0.6993 -0.6993 -0.0945 -0.0945 0.4750 0.4750 1.0369 1.0369 1.1513 1.1513 1.2211 1.2211 1.3776 1.3776 1.4518 1.4518 1.4913 1.4913 1.6260 1.6260 1.6808 1.6808 5.4446 5.4446 7.3883 7.3883 9.1356 9.1356 9.1711 9.1711 9.5180 9.5180 9.5900 9.5900 k =-0.0081 0.0178 0.0196 ( 7727 PWs) bands (ev): -22.3916 -22.3916 -22.3851 -22.3851 -11.4582 -11.4582 -11.0139 -11.0139 -10.5882 -10.5882 -10.5194 -10.5194 -7.0880 -7.0880 -7.0731 -7.0731 -6.2318 -6.2318 -6.2145 -6.2145 -6.2118 -6.2118 -6.1890 -6.1890 -4.5335 -4.5335 -4.4673 -4.4673 -3.8826 -3.8826 -3.8610 -3.8610 -3.6827 -3.6827 -0.7198 -0.7198 -0.6983 -0.6983 -0.0957 -0.0957 0.4653 0.4653 1.0394 1.0394 1.1514 1.1514 1.2214 1.2214 1.3797 1.3797 1.4601 1.4601 1.4804 1.4804 1.6271 1.6271 1.6826 1.6826 5.4341 5.4341 7.3800 7.3800 9.1297 9.1297 9.1731 9.1731 9.5119 9.5119 9.5858 9.5858 k = 0.0000 0.0000 0.0000 ( 7729 PWs) bands (ev): -22.3916 -22.3916 -22.3851 -22.3851 -11.4586 -11.4586 -11.0138 -11.0138 -10.5882 -10.5882 -10.5194 -10.5194 -7.0879 -7.0879 -7.0732 -7.0732 -6.2317 -6.2317 -6.2145 -6.2145 -6.2119 -6.2119 -6.1890 -6.1890 -4.5334 -4.5334 -4.4669 -4.4669 -3.8824 -3.8824 -3.8609 -3.8609 -3.6813 -3.6813 -0.7192 -0.7192 -0.6978 -0.6978 -0.0961 -0.0961 0.4619 0.4619 1.0402 1.0402 1.1514 1.1514 1.2215 1.2215 1.3804 1.3804 1.4679 1.4679 1.4717 1.4717 1.6274 1.6274 1.6832 1.6832 5.4306 5.4306 7.3773 7.3773 9.1277 9.1277 9.1738 9.1738 9.5098 9.5098 9.5845 9.5845 k = 0.0000 0.0000 0.0000 ( 7729 PWs) bands (ev): -22.3916 -22.3916 -22.3851 -22.3851 -11.4586 -11.4586 -11.0138 -11.0138 -10.5882 -10.5882 -10.5194 -10.5194 -7.0879 -7.0879 -7.0732 -7.0732 -6.2317 -6.2317 -6.2145 -6.2145 -6.2119 -6.2119 -6.1890 -6.1890 -4.5334 -4.5334 -4.4669 -4.4669 -3.8824 -3.8824 -3.8609 -3.8609 -3.6813 -3.6813 -0.7192 -0.7192 -0.6978 -0.6978 -0.0961 -0.0961 0.4619 0.4619 1.0402 1.0402 1.1514 1.1514 1.2215 1.2215 1.3804 1.3804 1.4679 1.4679 1.4717 1.4717 1.6274 1.6274 1.6832 1.6832 5.4306 5.4306 7.3773 7.3773 9.1277 9.1277 9.1738 9.1738 9.5098 9.5098 9.5845 9.5845 k = 0.0250 0.0114-0.0000 ( 7725 PWs) bands (ev): -22.3916 -22.3916 -22.3851 -22.3851 -11.4587 -11.4587 -11.0138 -11.0138 -10.5881 -10.5881 -10.5194 -10.5194 -7.0881 -7.0881 -7.0731 -7.0731 -6.2317 -6.2317 -6.2155 -6.2155 -6.2109 -6.2109 -6.1890 -6.1890 -4.5333 -4.5333 -4.4669 -4.4669 -3.8824 -3.8824 -3.8609 -3.8609 -3.6813 -3.6813 -0.7191 -0.7191 -0.6977 -0.6977 -0.0955 -0.0955 0.4625 0.4625 1.0402 1.0402 1.1512 1.1512 1.2212 1.2212 1.3808 1.3808 1.4683 1.4683 1.4704 1.4704 1.6269 1.6269 1.6829 1.6829 5.4327 5.4327 7.3778 7.3778 9.1248 9.1248 9.1608 9.1608 9.5249 9.5249 9.5793 9.5793 k = 0.0500 0.0228-0.0000 ( 7741 PWs) bands (ev): -22.3915 -22.3915 -22.3852 -22.3852 -11.4589 -11.4589 -11.0138 -11.0138 -10.5876 -10.5876 -10.5196 -10.5196 -7.0885 -7.0885 -7.0727 -7.0727 -6.2318 -6.2318 -6.2172 -6.2172 -6.2092 -6.2092 -6.1891 -6.1891 -4.5335 -4.5335 -4.4669 -4.4669 -3.8826 -3.8826 -3.8609 -3.8609 -3.6813 -3.6813 -0.7191 -0.7191 -0.6976 -0.6976 -0.0938 -0.0938 0.4641 0.4641 1.0403 1.0403 1.1505 1.1505 1.2204 1.2204 1.3820 1.3820 1.4664 1.4664 1.4698 1.4698 1.6252 1.6252 1.6820 1.6820 5.4390 5.4390 7.3792 7.3792 9.1162 9.1162 9.1273 9.1273 9.5639 9.5639 9.5645 9.5645 k = 0.0750 0.0342-0.0000 ( 7733 PWs) bands (ev): -22.3915 -22.3915 -22.3852 -22.3852 -11.4591 -11.4591 -11.0138 -11.0138 -10.5869 -10.5869 -10.5199 -10.5199 -7.0891 -7.0891 -7.0722 -7.0722 -6.2319 -6.2319 -6.2190 -6.2190 -6.2075 -6.2075 -6.1892 -6.1892 -4.5335 -4.5335 -4.4669 -4.4669 -3.8828 -3.8828 -3.8609 -3.8609 -3.6813 -3.6813 -0.7189 -0.7189 -0.6974 -0.6974 -0.0911 -0.0911 0.4667 0.4667 1.0403 1.0403 1.1494 1.1494 1.2191 1.2191 1.3841 1.3841 1.4599 1.4599 1.4721 1.4721 1.6224 1.6224 1.6805 1.6805 5.4492 5.4492 7.3817 7.3817 9.0827 9.0827 9.1026 9.1026 9.5389 9.5389 9.6193 9.6193 k = 0.1000 0.0455-0.0000 ( 7741 PWs) bands (ev): -22.3914 -22.3914 -22.3853 -22.3853 -11.4595 -11.4595 -11.0138 -11.0138 -10.5859 -10.5859 -10.5203 -10.5203 -7.0898 -7.0898 -7.0716 -7.0716 -6.2321 -6.2321 -6.2207 -6.2207 -6.2057 -6.2057 -6.1893 -6.1893 -4.5337 -4.5337 -4.4669 -4.4669 -3.8831 -3.8831 -3.8609 -3.8609 -3.6813 -3.6813 -0.7187 -0.7187 -0.6972 -0.6972 -0.0873 -0.0873 0.4703 0.4703 1.0404 1.0404 1.1480 1.1480 1.2174 1.2174 1.3867 1.3867 1.4510 1.4510 1.4753 1.4753 1.6188 1.6188 1.6784 1.6784 5.4631 5.4631 7.3855 7.3855 9.0334 9.0334 9.0845 9.0845 9.5054 9.5054 9.6825 9.6825 k = 0.1250 0.0569-0.0000 ( 7753 PWs) bands (ev): -22.3913 -22.3913 -22.3854 -22.3854 -11.4600 -11.4600 -11.0138 -11.0138 -10.5847 -10.5847 -10.5209 -10.5209 -7.0907 -7.0907 -7.0709 -7.0709 -6.2323 -6.2323 -6.2225 -6.2225 -6.2039 -6.2039 -6.1895 -6.1895 -4.5339 -4.5339 -4.4670 -4.4670 -3.8834 -3.8834 -3.8610 -3.8610 -3.6813 -3.6813 -0.7184 -0.7184 -0.6968 -0.6968 -0.0825 -0.0825 0.4749 0.4749 1.0406 1.0406 1.1463 1.1463 1.2153 1.2153 1.3898 1.3898 1.4400 1.4400 1.4793 1.4793 1.6143 1.6143 1.6758 1.6758 5.4801 5.4801 7.3908 7.3908 8.9830 8.9830 9.0626 9.0626 9.4647 9.4647 9.7505 9.7505 k = 0.1500 0.0683-0.0000 ( 7769 PWs) bands (ev): -22.3912 -22.3912 -22.3855 -22.3855 -11.4605 -11.4605 -11.0138 -11.0138 -10.5831 -10.5831 -10.5215 -10.5215 -7.0916 -7.0916 -7.0702 -7.0702 -6.2326 -6.2326 -6.2242 -6.2242 -6.2022 -6.2022 -6.1897 -6.1897 -4.5341 -4.5341 -4.4670 -4.4670 -3.8838 -3.8838 -3.8611 -3.8611 -3.6813 -3.6813 -0.7182 -0.7182 -0.6965 -0.6965 -0.0769 -0.0769 0.4805 0.4805 1.0407 1.0407 1.1443 1.1443 1.2130 1.2130 1.3924 1.3924 1.4278 1.4278 1.4840 1.4840 1.6092 1.6092 1.6726 1.6726 5.4998 5.4998 7.3980 7.3980 8.9333 8.9333 9.0374 9.0374 9.4189 9.4189 9.8212 9.8212 k = 0.1750 0.0797-0.0000 ( 7765 PWs) bands (ev): -22.3911 -22.3911 -22.3856 -22.3856 -11.4611 -11.4611 -11.0138 -11.0138 -10.5814 -10.5814 -10.5223 -10.5223 -7.0926 -7.0926 -7.0695 -7.0695 -6.2329 -6.2329 -6.2258 -6.2258 -6.2005 -6.2005 -6.1900 -6.1900 -4.5343 -4.5343 -4.4670 -4.4670 -3.8842 -3.8842 -3.8611 -3.8611 -3.6813 -3.6813 -0.7178 -0.7178 -0.6960 -0.6960 -0.0707 -0.0707 0.4869 0.4869 1.0409 1.0409 1.1421 1.1421 1.2104 1.2104 1.3918 1.3918 1.4175 1.4175 1.4893 1.4893 1.6035 1.6035 1.6689 1.6689 5.5214 5.5214 7.4073 7.4073 8.8852 8.8852 9.0085 9.0085 9.3705 9.3705 9.8931 9.8931 k = 0.2000 0.0911-0.0000 ( 7753 PWs) bands (ev): -22.3910 -22.3910 -22.3858 -22.3858 -11.4618 -11.4618 -11.0138 -11.0138 -10.5794 -10.5794 -10.5233 -10.5233 -7.0935 -7.0935 -7.0688 -7.0688 -6.2331 -6.2331 -6.2274 -6.2274 -6.1990 -6.1990 -6.1902 -6.1902 -4.5344 -4.5344 -4.4670 -4.4670 -3.8847 -3.8847 -3.8610 -3.8610 -3.6813 -3.6813 -0.7175 -0.7175 -0.6956 -0.6956 -0.0638 -0.0638 0.4941 0.4941 1.0410 1.0410 1.1398 1.1398 1.2076 1.2076 1.3822 1.3822 1.4150 1.4150 1.4952 1.4952 1.5974 1.5974 1.6647 1.6647 5.5443 5.5443 7.4192 7.4192 8.8395 8.8395 8.9752 8.9752 9.3225 9.3225 9.9649 9.9649 k = 0.2250 0.1025-0.0000 ( 7749 PWs) bands (ev): -22.3908 -22.3908 -22.3859 -22.3859 -11.4624 -11.4624 -11.0138 -11.0138 -10.5772 -10.5772 -10.5243 -10.5243 -7.0945 -7.0945 -7.0681 -7.0681 -6.2334 -6.2334 -6.2288 -6.2288 -6.1975 -6.1975 -6.1905 -6.1905 -4.5346 -4.5346 -4.4670 -4.4670 -3.8851 -3.8851 -3.8611 -3.8611 -3.6813 -3.6813 -0.7171 -0.7171 -0.6951 -0.6951 -0.0565 -0.0565 0.5020 0.5020 1.0412 1.0412 1.1374 1.1374 1.2048 1.2048 1.3658 1.3658 1.4185 1.4185 1.5016 1.5016 1.5909 1.5909 1.6600 1.6600 5.5677 5.5677 7.4341 7.4341 8.7966 8.7966 8.9361 8.9361 9.2783 9.2783 10.0163 10.0164 k = 0.2500 0.1139-0.0000 ( 7729 PWs) bands (ev): -22.3906 -22.3906 -22.3861 -22.3861 -11.4631 -11.4631 -11.0138 -11.0138 -10.5748 -10.5748 -10.5256 -10.5256 -7.0953 -7.0953 -7.0675 -7.0675 -6.2337 -6.2337 -6.2302 -6.2302 -6.1961 -6.1961 -6.1908 -6.1908 -4.5348 -4.5348 -4.4670 -4.4670 -3.8856 -3.8856 -3.8610 -3.8610 -3.6813 -3.6813 -0.7167 -0.7167 -0.6946 -0.6946 -0.0490 -0.0490 0.5105 0.5105 1.0414 1.0414 1.1350 1.1350 1.2021 1.2021 1.3468 1.3468 1.4241 1.4241 1.5083 1.5083 1.5840 1.5840 1.6549 1.6549 5.5910 5.5910 7.4525 7.4525 8.7567 8.7567 8.8898 8.8898 9.2408 9.2408 10.0361 10.0361 k = 0.2750 0.1253-0.0000 ( 7725 PWs) bands (ev): -22.3904 -22.3904 -22.3863 -22.3863 -11.4638 -11.4638 -11.0138 -11.0138 -10.5723 -10.5723 -10.5270 -10.5270 -7.0962 -7.0962 -7.0670 -7.0670 -6.2339 -6.2339 -6.2315 -6.2315 -6.1948 -6.1948 -6.1912 -6.1912 -4.5350 -4.5350 -4.4670 -4.4670 -3.8860 -3.8860 -3.8610 -3.8610 -3.6813 -3.6813 -0.7163 -0.7163 -0.6941 -0.6941 -0.0415 -0.0415 0.5193 0.5193 1.0416 1.0416 1.1327 1.1327 1.1994 1.1994 1.3268 1.3268 1.4307 1.4307 1.5154 1.5154 1.5769 1.5769 1.6494 1.6494 5.6135 5.6135 7.4746 7.4746 8.7202 8.7202 8.8358 8.8358 9.2119 9.2119 10.0565 10.0565 k = 0.3000 0.1366-0.0000 ( 7737 PWs) bands (ev): -22.3902 -22.3902 -22.3865 -22.3865 -11.4645 -11.4645 -11.0138 -11.0138 -10.5697 -10.5697 -10.5285 -10.5285 -7.0969 -7.0969 -7.0665 -7.0665 -6.2341 -6.2341 -6.2326 -6.2326 -6.1936 -6.1936 -6.1915 -6.1915 -4.5353 -4.5353 -4.4670 -4.4670 -3.8866 -3.8866 -3.8611 -3.8611 -3.6813 -3.6813 -0.7159 -0.7159 -0.6936 -0.6936 -0.0341 -0.0341 0.5284 0.5284 1.0418 1.0418 1.1304 1.1304 1.1968 1.1968 1.3067 1.3067 1.4377 1.4377 1.5228 1.5228 1.5695 1.5695 1.6435 1.6435 5.6347 5.6347 7.5005 7.5005 8.6872 8.6872 8.7751 8.7751 9.1918 9.1918 10.0782 10.0782 k = 0.3250 0.1480-0.0000 ( 7725 PWs) bands (ev): -22.3900 -22.3900 -22.3867 -22.3867 -11.4652 -11.4652 -11.0138 -11.0138 -10.5669 -10.5669 -10.5303 -10.5303 -7.0976 -7.0976 -7.0661 -7.0661 -6.2343 -6.2343 -6.2336 -6.2336 -6.1926 -6.1926 -6.1918 -6.1918 -4.5355 -4.5355 -4.4670 -4.4670 -3.8870 -3.8870 -3.8611 -3.8611 -3.6813 -3.6813 -0.7156 -0.7156 -0.6932 -0.6932 -0.0270 -0.0270 0.5375 0.5375 1.0420 1.0420 1.1282 1.1282 1.1944 1.1944 1.2871 1.2871 1.4452 1.4452 1.5304 1.5304 1.5619 1.5619 1.6373 1.6373 5.6540 5.6540 7.5302 7.5302 8.6577 8.6577 8.7096 8.7096 9.1793 9.1793 10.1010 10.1010 k = 0.3500 0.1594-0.0000 ( 7725 PWs) bands (ev): -22.3898 -22.3898 -22.3869 -22.3869 -11.4658 -11.4658 -11.0138 -11.0138 -10.5641 -10.5641 -10.5321 -10.5321 -7.0982 -7.0982 -7.0658 -7.0658 -6.2345 -6.2345 -6.2345 -6.2345 -6.1922 -6.1922 -6.1916 -6.1916 -4.5357 -4.5357 -4.4669 -4.4669 -3.8875 -3.8875 -3.8611 -3.8611 -3.6812 -3.6812 -0.7152 -0.7152 -0.6927 -0.6927 -0.0204 -0.0204 0.5463 0.5463 1.0421 1.0421 1.1262 1.1262 1.1923 1.1923 1.2685 1.2685 1.4530 1.4530 1.5381 1.5381 1.5541 1.5541 1.6307 1.6307 5.6710 5.6710 7.5632 7.5632 8.6320 8.6320 8.6420 8.6420 9.1729 9.1729 10.1247 10.1247 k = 0.3750 0.1708-0.0000 ( 7725 PWs) bands (ev): -22.3896 -22.3896 -22.3871 -22.3871 -11.4663 -11.4663 -11.0138 -11.0138 -10.5612 -10.5612 -10.5342 -10.5342 -7.0987 -7.0987 -7.0655 -7.0655 -6.2353 -6.2353 -6.2347 -6.2347 -6.1924 -6.1924 -6.1908 -6.1908 -4.5359 -4.5359 -4.4670 -4.4670 -3.8879 -3.8879 -3.8611 -3.8611 -3.6812 -3.6812 -0.7149 -0.7149 -0.6924 -0.6924 -0.0145 -0.0145 0.5545 0.5545 1.0422 1.0422 1.1244 1.1244 1.1904 1.1904 1.2516 1.2516 1.4609 1.4609 1.5459 1.5459 1.5462 1.5462 1.6240 1.6240 5.6856 5.6856 7.5985 7.5985 8.5749 8.5749 8.6102 8.6102 9.1707 9.1707 10.1488 10.1488 k = 0.4000 0.1822-0.0000 ( 7765 PWs) bands (ev): -22.3894 -22.3894 -22.3873 -22.3873 -11.4667 -11.4667 -11.0139 -11.0139 -10.5583 -10.5583 -10.5364 -10.5364 -7.0991 -7.0991 -7.0653 -7.0653 -6.2360 -6.2360 -6.2348 -6.2348 -6.1927 -6.1927 -6.1902 -6.1902 -4.5362 -4.5362 -4.4671 -4.4671 -3.8883 -3.8883 -3.8613 -3.8613 -3.6813 -3.6813 -0.7147 -0.7147 -0.6921 -0.6921 -0.0095 -0.0095 0.5618 0.5618 1.0423 1.0423 1.1228 1.1228 1.1889 1.1889 1.2369 1.2369 1.4689 1.4689 1.5382 1.5382 1.5537 1.5537 1.6170 1.6170 5.6975 5.6975 7.6347 7.6347 8.5113 8.5113 8.5922 8.5922 9.1714 9.1714 10.1725 10.1725 k = 0.4250 0.1936-0.0000 ( 7765 PWs) bands (ev): -22.3891 -22.3891 -22.3876 -22.3876 -11.4671 -11.4671 -11.0139 -11.0139 -10.5554 -10.5554 -10.5387 -10.5387 -7.0994 -7.0994 -7.0651 -7.0651 -6.2365 -6.2365 -6.2349 -6.2349 -6.1929 -6.1929 -6.1897 -6.1897 -4.5363 -4.5363 -4.4671 -4.4671 -3.8886 -3.8886 -3.8613 -3.8613 -3.6813 -3.6813 -0.7145 -0.7145 -0.6918 -0.6918 -0.0054 -0.0054 0.5680 0.5680 1.0424 1.0424 1.1215 1.1215 1.1876 1.1876 1.2250 1.2250 1.4770 1.4770 1.5302 1.5302 1.5615 1.5615 1.6098 1.6098 5.7068 5.7068 7.6692 7.6692 8.4546 8.4546 8.5781 8.5781 9.1734 9.1734 10.1946 10.1946 k = 0.4500 0.2050-0.0000 ( 7757 PWs) bands (ev): -22.3889 -22.3889 -22.3878 -22.3878 -11.4674 -11.4674 -11.0139 -11.0139 -10.5526 -10.5526 -10.5410 -10.5410 -7.0996 -7.0996 -7.0650 -7.0650 -6.2368 -6.2368 -6.2349 -6.2349 -6.1931 -6.1931 -6.1893 -6.1893 -4.5364 -4.5364 -4.4671 -4.4671 -3.8888 -3.8888 -3.8613 -3.8613 -3.6813 -3.6813 -0.7143 -0.7143 -0.6916 -0.6916 -0.0024 -0.0024 0.5727 0.5727 1.0425 1.0425 1.1204 1.1204 1.1867 1.1867 1.2161 1.2161 1.4849 1.4849 1.5223 1.5223 1.5691 1.5691 1.6027 1.6027 5.7134 5.7134 7.6988 7.6988 8.4088 8.4088 8.5681 8.5681 9.1757 9.1757 10.2133 10.2133 k = 0.4750 0.2164-0.0000 ( 7748 PWs) bands (ev): -22.3887 -22.3887 -22.3880 -22.3880 -11.4675 -11.4675 -11.0139 -11.0139 -10.5500 -10.5500 -10.5434 -10.5434 -7.0998 -7.0998 -7.0649 -7.0649 -6.2371 -6.2371 -6.2350 -6.2350 -6.1932 -6.1932 -6.1891 -6.1891 -4.5364 -4.5364 -4.4670 -4.4670 -3.8889 -3.8889 -3.8612 -3.8612 -3.6813 -3.6813 -0.7143 -0.7143 -0.6915 -0.6915 -0.0006 -0.0006 0.5756 0.5756 1.0425 1.0425 1.1198 1.1198 1.1862 1.1862 1.2106 1.2106 1.4920 1.4920 1.5152 1.5152 1.5761 1.5761 1.5960 1.5960 5.7173 5.7173 7.7191 7.7191 8.3786 8.3786 8.5620 8.5620 9.1774 9.1774 10.2263 10.2263 k = 0.5000 0.2277-0.0000 ( 7748 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4676 -11.4676 -11.0139 -11.0139 -10.5486 -10.5486 -10.5448 -10.5448 -7.0998 -7.0998 -7.0649 -7.0649 -6.2371 -6.2371 -6.2350 -6.2350 -6.1932 -6.1932 -6.1890 -6.1890 -4.5364 -4.5364 -4.4670 -4.4670 -3.8889 -3.8889 -3.8613 -3.8613 -3.6813 -3.6813 -0.7142 -0.7142 -0.6914 -0.6914 0.0000 0.0000 0.5766 0.5766 1.0425 1.0425 1.1195 1.1195 1.1860 1.1860 1.2088 1.2088 1.4957 1.4957 1.5116 1.5116 1.5800 1.5800 1.5922 1.5922 5.7186 5.7186 7.7265 7.7265 8.3679 8.3679 8.5600 8.5600 9.1781 9.1781 10.2310 10.2310 k = 0.5000 0.2277-0.0000 ( 7748 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4676 -11.4676 -11.0139 -11.0139 -10.5486 -10.5486 -10.5448 -10.5448 -7.0998 -7.0998 -7.0649 -7.0649 -6.2371 -6.2371 -6.2350 -6.2350 -6.1932 -6.1932 -6.1890 -6.1890 -4.5364 -4.5364 -4.4670 -4.4670 -3.8889 -3.8889 -3.8613 -3.8613 -3.6813 -3.6813 -0.7142 -0.7142 -0.6914 -0.6914 0.0000 0.0000 0.5766 0.5766 1.0425 1.0425 1.1195 1.1195 1.1860 1.1860 1.2088 1.2088 1.4957 1.4957 1.5116 1.5116 1.5800 1.5800 1.5922 1.5922 5.7186 5.7186 7.7265 7.7265 8.3679 8.3679 8.5600 8.5600 9.1781 9.1781 10.2310 10.2310 k = 0.4920 0.2453 0.0193 ( 7758 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4672 -11.4672 -11.0140 -11.0140 -10.5485 -10.5485 -10.5448 -10.5448 -7.0998 -7.0998 -7.0649 -7.0649 -6.2371 -6.2371 -6.2349 -6.2349 -6.1932 -6.1932 -6.1890 -6.1890 -4.5366 -4.5366 -4.4675 -4.4675 -3.8891 -3.8891 -3.8614 -3.8614 -3.6827 -3.6827 -0.7145 -0.7145 -0.6917 -0.6917 0.0005 0.0005 0.5775 0.5775 1.0419 1.0419 1.1198 1.1198 1.1862 1.1862 1.2073 1.2073 1.4965 1.4965 1.5119 1.5119 1.5809 1.5809 1.5923 1.5923 5.7210 5.7210 7.7282 7.7282 8.3708 8.3708 8.5620 8.5620 9.1798 9.1798 10.2325 10.2325 k = 0.4840 0.2629 0.0386 ( 7762 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4660 -11.4660 -11.0143 -11.0143 -10.5485 -10.5485 -10.5450 -10.5450 -7.0996 -7.0996 -7.0651 -7.0651 -6.2370 -6.2370 -6.2348 -6.2348 -6.1934 -6.1934 -6.1890 -6.1890 -4.5371 -4.5371 -4.4687 -4.4687 -3.8898 -3.8898 -3.8617 -3.8617 -3.6869 -3.6869 -0.7154 -0.7154 -0.6920 -0.6920 0.0018 0.0018 0.5803 0.5803 1.0397 1.0397 1.1206 1.1206 1.1870 1.1870 1.2031 1.2031 1.4986 1.4986 1.5128 1.5128 1.5836 1.5836 1.5928 1.5928 5.7283 5.7283 7.7333 7.7333 8.3793 8.3793 8.5682 8.5682 9.1850 9.1850 10.2370 10.2370 k = 0.4760 0.2804 0.0579 ( 7760 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4641 -11.4641 -11.0148 -11.0148 -10.5485 -10.5485 -10.5453 -10.5453 -7.0993 -7.0993 -7.0653 -7.0653 -6.2368 -6.2368 -6.2345 -6.2345 -6.1936 -6.1936 -6.1891 -6.1891 -4.5380 -4.5380 -4.4707 -4.4707 -3.8910 -3.8910 -3.8622 -3.8622 -3.6938 -3.6938 -0.7177 -0.7177 -0.6918 -0.6918 0.0041 0.0041 0.5847 0.5847 1.0357 1.0357 1.1217 1.1217 1.1877 1.1877 1.1977 1.1977 1.5015 1.5015 1.5141 1.5141 1.5883 1.5883 1.5938 1.5938 5.7404 5.7404 7.7418 7.7418 8.3935 8.3935 8.5783 8.5783 9.1936 9.1936 10.2445 10.2445 k = 0.4680 0.2980 0.0772 ( 7752 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4613 -11.4613 -11.0155 -11.0155 -10.5485 -10.5485 -10.5457 -10.5457 -7.0989 -7.0989 -7.0655 -7.0655 -6.2365 -6.2365 -6.2341 -6.2341 -6.1939 -6.1939 -6.1892 -6.1892 -4.5392 -4.5392 -4.4735 -4.4735 -3.8927 -3.8927 -3.8628 -3.8628 -3.7030 -3.7030 -0.7218 -0.7218 -0.6904 -0.6904 0.0072 0.0072 0.5903 0.5903 1.0293 1.0293 1.1228 1.1228 1.1854 1.1854 1.1955 1.1955 1.5046 1.5046 1.5156 1.5156 1.5943 1.5943 1.5965 1.5965 5.7575 5.7575 7.7537 7.7537 8.4133 8.4133 8.5923 8.5923 9.2057 9.2057 10.2549 10.2549 k = 0.4600 0.3156 0.0965 ( 7756 PWs) bands (ev): -22.3885 -22.3885 -22.3880 -22.3880 -11.4578 -11.4578 -11.0165 -11.0165 -10.5484 -10.5484 -10.5463 -10.5463 -7.0984 -7.0984 -7.0659 -7.0659 -6.2361 -6.2361 -6.2336 -6.2336 -6.1943 -6.1943 -6.1892 -6.1892 -4.5410 -4.5410 -4.4769 -4.4769 -3.8951 -3.8951 -3.8636 -3.8636 -3.7144 -3.7144 -0.7278 -0.7278 -0.6875 -0.6875 0.0113 0.0113 0.5967 0.5967 1.0201 1.0201 1.1235 1.1235 1.1790 1.1790 1.1987 1.1987 1.5075 1.5075 1.5168 1.5168 1.5976 1.5976 1.6053 1.6053 5.7795 5.7795 7.7689 7.7689 8.4385 8.4385 8.6101 8.6101 9.2213 9.2213 10.2681 10.2681 k = 0.4520 0.3332 0.1158 ( 7756 PWs) bands (ev): -22.3885 -22.3885 -22.3880 -22.3880 -11.4536 -11.4536 -11.0176 -11.0176 -10.5483 -10.5483 -10.5470 -10.5470 -7.0978 -7.0978 -7.0663 -7.0663 -6.2357 -6.2357 -6.2330 -6.2330 -6.1948 -6.1948 -6.1893 -6.1893 -4.5433 -4.5433 -4.4809 -4.4809 -3.8983 -3.8983 -3.8646 -3.8646 -3.7275 -3.7275 -0.7354 -0.7354 -0.6833 -0.6833 0.0161 0.0161 0.6034 0.6034 1.0077 1.0077 1.1235 1.1235 1.1727 1.1727 1.2041 1.2041 1.5098 1.5098 1.5180 1.5180 1.6016 1.6016 1.6168 1.6168 5.8064 5.8064 7.7873 7.7873 8.4690 8.4690 8.6316 8.6316 9.2402 9.2402 10.2840 10.2840 k = 0.4440 0.3507 0.1351 ( 7756 PWs) bands (ev): -22.3885 -22.3885 -22.3879 -22.3879 -11.4487 -11.4487 -11.0190 -11.0190 -10.5483 -10.5483 -10.5477 -10.5477 -7.0970 -7.0970 -7.0668 -7.0668 -6.2353 -6.2353 -6.2323 -6.2323 -6.1954 -6.1954 -6.1894 -6.1894 -4.5465 -4.5465 -4.4853 -4.4853 -3.9024 -3.9024 -3.8658 -3.8658 -3.7417 -3.7417 -0.7441 -0.7441 -0.6779 -0.6779 0.0219 0.0219 0.6100 0.6100 0.9920 0.9920 1.1223 1.1223 1.1680 1.1680 1.2108 1.2108 1.5106 1.5106 1.5197 1.5197 1.6077 1.6077 1.6300 1.6300 5.8384 5.8384 7.8091 7.8091 8.5047 8.5047 8.6566 8.6566 9.2624 9.2624 10.3024 10.3024 k = 0.4360 0.3683 0.1544 ( 7752 PWs) bands (ev): -22.3885 -22.3885 -22.3878 -22.3878 -11.4431 -11.4431 -11.0206 -11.0206 -10.5486 -10.5486 -10.5481 -10.5481 -7.0962 -7.0962 -7.0674 -7.0674 -6.2348 -6.2348 -6.2315 -6.2315 -6.1961 -6.1961 -6.1894 -6.1894 -4.5507 -4.5507 -4.4899 -4.4899 -3.9078 -3.9078 -3.8671 -3.8671 -3.7564 -3.7564 -0.7536 -0.7536 -0.6715 -0.6715 0.0284 0.0284 0.6162 0.6162 0.9733 0.9733 1.1195 1.1195 1.1655 1.1655 1.2181 1.2181 1.5097 1.5097 1.5220 1.5220 1.6167 1.6167 1.6441 1.6441 5.8756 5.8756 7.8340 7.8340 8.5452 8.5452 8.6848 8.6848 9.2880 9.2880 10.3232 10.3232 k = 0.4280 0.3859 0.1738 ( 7750 PWs) bands (ev): -22.3885 -22.3885 -22.3878 -22.3878 -11.4369 -11.4369 -11.0224 -11.0224 -10.5496 -10.5496 -10.5480 -10.5480 -7.0953 -7.0953 -7.0680 -7.0680 -6.2343 -6.2343 -6.2305 -6.2305 -6.1968 -6.1968 -6.1895 -6.1895 -4.5561 -4.5561 -4.4946 -4.4946 -3.9147 -3.9147 -3.8686 -3.8686 -3.7711 -3.7711 -0.7635 -0.7635 -0.6643 -0.6643 0.0357 0.0357 0.6215 0.6215 0.9522 0.9522 1.1152 1.1152 1.1653 1.1653 1.2253 1.2253 1.5074 1.5074 1.5244 1.5244 1.6291 1.6291 1.6589 1.6589 5.9178 5.9178 7.8619 7.8619 8.5902 8.5902 8.7161 8.7161 9.3168 9.3168 10.3460 10.3460 k = 0.4200 0.4034 0.1931 ( 7740 PWs) bands (ev): -22.3885 -22.3885 -22.3877 -22.3877 -11.4300 -11.4300 -11.0244 -11.0244 -10.5507 -10.5507 -10.5479 -10.5479 -7.0943 -7.0943 -7.0687 -7.0687 -6.2338 -6.2338 -6.2296 -6.2296 -6.1976 -6.1976 -6.1895 -6.1895 -4.5629 -4.5629 -4.4989 -4.4989 -3.9234 -3.9234 -3.8702 -3.8702 -3.7849 -3.7849 -0.7737 -0.7737 -0.6564 -0.6564 0.0437 0.0437 0.6260 0.6260 0.9291 0.9291 1.1094 1.1094 1.1671 1.1671 1.2318 1.2318 1.5042 1.5042 1.5263 1.5263 1.6456 1.6456 1.6738 1.6738 5.9653 5.9653 7.8930 7.8930 8.6392 8.6392 8.7504 8.7504 9.3489 9.3489 10.3707 10.3707 k = 0.4120 0.4210 0.2124 ( 7746 PWs) bands (ev): -22.3884 -22.3884 -22.3876 -22.3876 -11.4226 -11.4226 -11.0267 -11.0267 -10.5519 -10.5519 -10.5477 -10.5477 -7.0932 -7.0932 -7.0694 -7.0694 -6.2333 -6.2333 -6.2285 -6.2285 -6.1984 -6.1984 -6.1896 -6.1896 -4.5715 -4.5715 -4.5029 -4.5029 -3.9341 -3.9341 -3.8720 -3.8720 -3.7973 -3.7973 -0.7840 -0.7840 -0.6478 -0.6478 0.0525 0.0525 0.6294 0.6294 0.9045 0.9045 1.1026 1.1026 1.1705 1.1705 1.2372 1.2372 1.5003 1.5003 1.5275 1.5275 1.6660 1.6660 1.6885 1.6885 6.0180 6.0180 7.9269 7.9269 8.6913 8.6913 8.7880 8.7880 9.3841 9.3841 10.3970 10.3970 k = 0.4040 0.4386 0.2317 ( 7754 PWs) bands (ev): -22.3884 -22.3884 -22.3875 -22.3875 -11.4147 -11.4147 -11.0292 -11.0292 -10.5531 -10.5531 -10.5476 -10.5476 -7.0921 -7.0921 -7.0702 -7.0702 -6.2327 -6.2327 -6.2274 -6.2274 -6.1992 -6.1992 -6.1896 -6.1896 -4.5817 -4.5817 -4.5064 -4.5064 -3.9467 -3.9467 -3.8740 -3.8740 -3.8080 -3.8080 -0.7942 -0.7942 -0.6386 -0.6386 0.0618 0.0618 0.6318 0.6318 0.8790 0.8790 1.0949 1.0949 1.1751 1.1751 1.2412 1.2412 1.4958 1.4958 1.5280 1.5280 1.6898 1.6898 1.7032 1.7032 6.0758 6.0758 7.9637 7.9637 8.7451 8.7451 8.8295 8.8295 9.4224 9.4224 10.4246 10.4246 k = 0.3960 0.4561 0.2510 ( 7752 PWs) bands (ev): -22.3884 -22.3884 -22.3874 -22.3874 -11.4063 -11.4063 -11.0319 -11.0319 -10.5544 -10.5544 -10.5474 -10.5474 -7.0909 -7.0909 -7.0710 -7.0710 -6.2322 -6.2322 -6.2262 -6.2262 -6.2000 -6.2000 -6.1896 -6.1896 -4.5936 -4.5936 -4.5093 -4.5093 -3.9611 -3.9611 -3.8760 -3.8760 -3.8168 -3.8168 -0.8041 -0.8041 -0.6290 -0.6290 0.0718 0.0718 0.6332 0.6332 0.8527 0.8527 1.0867 1.0867 1.1806 1.1806 1.2437 1.2437 1.4910 1.4910 1.5278 1.5278 1.7132 1.7132 1.7206 1.7206 6.1389 6.1389 8.0032 8.0032 8.7980 8.7980 8.8766 8.8766 9.4637 9.4637 10.4529 10.4529 k = 0.3880 0.4737 0.2703 ( 7764 PWs) bands (ev): -22.3884 -22.3884 -22.3873 -22.3873 -11.3974 -11.3974 -11.0348 -11.0348 -10.5559 -10.5559 -10.5472 -10.5472 -7.0896 -7.0896 -7.0718 -7.0718 -6.2318 -6.2318 -6.2251 -6.2251 -6.2007 -6.2007 -6.1897 -6.1897 -4.6071 -4.6071 -4.5118 -4.5118 -3.9768 -3.9768 -3.8782 -3.8782 -3.8238 -3.8238 -0.8138 -0.8138 -0.6191 -0.6191 0.0823 0.0823 0.6337 0.6337 0.8261 0.8261 1.0780 1.0780 1.1869 1.1869 1.2450 1.2450 1.4858 1.4858 1.5272 1.5272 1.7280 1.7280 1.7483 1.7483 6.2069 6.2069 8.0454 8.0454 8.8472 8.8472 8.9313 8.9313 9.5078 9.5078 10.4787 10.4787 k = 0.3800 0.4913 0.2896 ( 7756 PWs) bands (ev): -22.3884 -22.3884 -22.3872 -22.3872 -11.3882 -11.3882 -11.0380 -11.0380 -10.5573 -10.5573 -10.5469 -10.5469 -7.0883 -7.0883 -7.0727 -7.0727 -6.2314 -6.2314 -6.2239 -6.2239 -6.2014 -6.2014 -6.1897 -6.1897 -4.6218 -4.6218 -4.5139 -4.5139 -3.9931 -3.9931 -3.8803 -3.8803 -3.8293 -3.8293 -0.8231 -0.8231 -0.6088 -0.6088 0.0932 0.0932 0.6335 0.6335 0.7995 0.7995 1.0690 1.0690 1.1937 1.1937 1.2452 1.2452 1.4803 1.4803 1.5262 1.5262 1.7402 1.7402 1.7790 1.7790 6.2800 6.2800 8.0900 8.0900 8.8914 8.8914 8.9938 8.9938 9.5546 9.5546 10.4832 10.4832 k = 0.3720 0.5088 0.3089 ( 7754 PWs) bands (ev): -22.3884 -22.3884 -22.3871 -22.3871 -11.3788 -11.3788 -11.0414 -11.0414 -10.5588 -10.5588 -10.5467 -10.5467 -7.0870 -7.0870 -7.0735 -7.0735 -6.2312 -6.2312 -6.2227 -6.2227 -6.2019 -6.2019 -6.1897 -6.1897 -4.6376 -4.6376 -4.5157 -4.5157 -4.0097 -4.0097 -3.8826 -3.8826 -3.8336 -3.8336 -0.8320 -0.8320 -0.5984 -0.5984 0.1045 0.1045 0.6326 0.6326 0.7730 0.7730 1.0598 1.0598 1.2009 1.2009 1.2445 1.2445 1.4747 1.4747 1.5251 1.5251 1.7513 1.7513 1.8105 1.8105 6.3577 6.3577 8.1371 8.1371 8.9313 8.9313 9.0624 9.0624 9.6040 9.6040 10.4812 10.4812 k = 0.3640 0.5264 0.3282 ( 7744 PWs) bands (ev): -22.3884 -22.3884 -22.3870 -22.3870 -11.3690 -11.3690 -11.0450 -11.0450 -10.5604 -10.5604 -10.5464 -10.5464 -7.0857 -7.0857 -7.0743 -7.0743 -6.2310 -6.2310 -6.2215 -6.2215 -6.2023 -6.2023 -6.1898 -6.1898 -4.6543 -4.6543 -4.5172 -4.5172 -4.0260 -4.0260 -3.8848 -3.8848 -3.8370 -3.8370 -0.8405 -0.8405 -0.5880 -0.5880 0.1160 0.1160 0.6313 0.6313 0.7470 0.7470 1.0505 1.0505 1.2084 1.2084 1.2433 1.2433 1.4690 1.4690 1.5238 1.5238 1.7614 1.7614 1.8420 1.8420 6.4399 6.4399 8.1864 8.1864 8.9676 8.9676 9.1353 9.1353 9.6556 9.6556 10.4803 10.4803 k = 0.3560 0.5440 0.3475 ( 7748 PWs) bands (ev): -22.3883 -22.3883 -22.3869 -22.3869 -11.3592 -11.3592 -11.0488 -11.0488 -10.5620 -10.5620 -10.5461 -10.5461 -7.0845 -7.0845 -7.0751 -7.0751 -6.2310 -6.2310 -6.2203 -6.2203 -6.2026 -6.2026 -6.1898 -6.1898 -4.6716 -4.6716 -4.5185 -4.5185 -4.0417 -4.0417 -3.8870 -3.8870 -3.8397 -3.8397 -0.8486 -0.8486 -0.5776 -0.5776 0.1277 0.1277 0.6297 0.6297 0.7215 0.7215 1.0413 1.0413 1.2160 1.2160 1.2418 1.2418 1.4632 1.4632 1.5226 1.5226 1.7703 1.7703 1.8728 1.8728 6.5261 6.5261 8.2378 8.2378 9.0007 9.0007 9.2108 9.2108 9.7091 9.7091 10.4808 10.4808 k = 0.3480 0.5616 0.3668 ( 7744 PWs) bands (ev): -22.3883 -22.3883 -22.3868 -22.3868 -11.3492 -11.3492 -11.0528 -11.0528 -10.5636 -10.5636 -10.5457 -10.5457 -7.0833 -7.0833 -7.0758 -7.0758 -6.2311 -6.2311 -6.2192 -6.2192 -6.2027 -6.2027 -6.1898 -6.1898 -4.6892 -4.6892 -4.5196 -4.5196 -4.0565 -4.0565 -3.8891 -3.8891 -3.8418 -3.8418 -0.8562 -0.8562 -0.5673 -0.5673 0.1393 0.1393 0.6279 0.6279 0.6969 0.6969 1.0322 1.0322 1.2229 1.2229 1.2409 1.2409 1.4574 1.4574 1.5214 1.5214 1.7782 1.7782 1.9022 1.9022 6.6158 6.6158 8.2911 8.2911 9.0304 9.0304 9.2877 9.2877 9.7642 9.7642 10.4826 10.4826 k = 0.3400 0.5791 0.3861 ( 7744 PWs) bands (ev): -22.3883 -22.3883 -22.3867 -22.3867 -11.3393 -11.3393 -11.0570 -11.0570 -10.5653 -10.5653 -10.5453 -10.5453 -7.0823 -7.0823 -7.0764 -7.0764 -6.2314 -6.2314 -6.2181 -6.2181 -6.2026 -6.2026 -6.1898 -6.1898 -4.7068 -4.7068 -4.5206 -4.5206 -4.0704 -4.0704 -3.8911 -3.8911 -3.8435 -3.8435 -0.8635 -0.8635 -0.5573 -0.5573 0.1508 0.1508 0.6261 0.6261 0.6733 0.6733 1.0234 1.0234 1.2279 1.2279 1.2422 1.2422 1.4516 1.4516 1.5204 1.5204 1.7850 1.7850 1.9298 1.9298 6.7084 6.7084 8.3463 8.3463 9.0565 9.0565 9.3645 9.3645 9.8205 9.8205 10.4854 10.4854 k = 0.3319 0.5967 0.4054 ( 7756 PWs) bands (ev): -22.3884 -22.3884 -22.3866 -22.3866 -11.3294 -11.3294 -11.0613 -11.0613 -10.5669 -10.5669 -10.5449 -10.5449 -7.0817 -7.0817 -7.0765 -7.0765 -6.2318 -6.2318 -6.2170 -6.2170 -6.2024 -6.2024 -6.1897 -6.1897 -4.7241 -4.7241 -4.5216 -4.5216 -4.0831 -4.0831 -3.8931 -3.8931 -3.8449 -3.8449 -0.8703 -0.8703 -0.5478 -0.5478 0.1619 0.1619 0.6244 0.6244 0.6510 0.6510 1.0149 1.0149 1.2292 1.2292 1.2471 1.2471 1.4459 1.4459 1.5195 1.5195 1.7906 1.7906 1.9552 1.9552 6.8032 6.8032 8.4030 8.4030 9.0787 9.0787 9.4396 9.4396 9.8774 9.8774 10.4888 10.4888 k = 0.3239 0.6143 0.4247 ( 7752 PWs) bands (ev): -22.3884 -22.3884 -22.3864 -22.3864 -11.3198 -11.3198 -11.0656 -11.0656 -10.5686 -10.5686 -10.5445 -10.5445 -7.0815 -7.0815 -7.0762 -7.0762 -6.2324 -6.2324 -6.2160 -6.2160 -6.2022 -6.2022 -6.1897 -6.1897 -4.7409 -4.7409 -4.5224 -4.5224 -4.0946 -4.0946 -3.8949 -3.8949 -3.8461 -3.8461 -0.8768 -0.8768 -0.5387 -0.5387 0.1725 0.1725 0.6229 0.6229 0.6304 0.6304 1.0069 1.0069 1.2285 1.2285 1.2543 1.2543 1.4403 1.4403 1.5188 1.5188 1.7952 1.7952 1.9779 1.9779 6.8991 6.8991 8.4612 8.4612 9.0967 9.0967 9.5113 9.5113 9.9345 9.9345 10.4923 10.4923 k = 0.3159 0.6318 0.4440 ( 7754 PWs) bands (ev): -22.3884 -22.3884 -22.3863 -22.3863 -11.3104 -11.3104 -11.0701 -11.0701 -10.5702 -10.5702 -10.5440 -10.5440 -7.0819 -7.0819 -7.0754 -7.0754 -6.2331 -6.2331 -6.2150 -6.2150 -6.2018 -6.2018 -6.1895 -6.1895 -4.7568 -4.7568 -4.5231 -4.5231 -4.1048 -4.1048 -3.8966 -3.8966 -3.8470 -3.8470 -0.8828 -0.8828 -0.5302 -0.5302 0.1821 0.1821 0.6114 0.6114 0.6221 0.6221 0.9994 0.9994 1.2274 1.2274 1.2623 1.2623 1.4349 1.4349 1.5185 1.5185 1.7987 1.7987 1.9978 1.9978 6.9949 6.9949 8.5205 8.5205 9.1100 9.1100 9.5769 9.5769 9.9913 9.9913 10.4956 10.4956 k = 0.3079 0.6494 0.4633 ( 7746 PWs) bands (ev): -22.3884 -22.3884 -22.3862 -22.3862 -11.3015 -11.3015 -11.0744 -11.0744 -10.5718 -10.5718 -10.5435 -10.5435 -7.0824 -7.0824 -7.0745 -7.0745 -6.2339 -6.2339 -6.2140 -6.2140 -6.2015 -6.2015 -6.1893 -6.1893 -4.7715 -4.7715 -4.5237 -4.5237 -4.1138 -4.1138 -3.8981 -3.8981 -3.8477 -3.8477 -0.8885 -0.8885 -0.5224 -0.5224 0.1905 0.1905 0.5948 0.5948 0.6215 0.6215 0.9926 0.9926 1.2264 1.2264 1.2704 1.2704 1.4297 1.4297 1.5184 1.5184 1.8012 1.8012 2.0146 2.0146 7.0893 7.0893 8.5808 8.5808 9.1183 9.1183 9.6339 9.6339 10.0474 10.0474 10.4988 10.4988 k = 0.2999 0.6670 0.4826 ( 7750 PWs) bands (ev): -22.3884 -22.3884 -22.3861 -22.3861 -11.2931 -11.2931 -11.0787 -11.0787 -10.5734 -10.5734 -10.5430 -10.5430 -7.0831 -7.0831 -7.0734 -7.0734 -6.2348 -6.2348 -6.2130 -6.2130 -6.2012 -6.2012 -6.1890 -6.1890 -4.7849 -4.7849 -4.5242 -4.5242 -4.1215 -4.1215 -3.8995 -3.8995 -3.8483 -3.8483 -0.8938 -0.8938 -0.5154 -0.5154 0.1973 0.1973 0.5808 0.5808 0.6215 0.6215 0.9866 0.9866 1.2258 1.2258 1.2784 1.2784 1.4247 1.4247 1.5186 1.5186 1.8026 1.8026 2.0282 2.0282 7.1803 7.1803 8.6417 8.6417 9.1211 9.1211 9.6792 9.6792 10.1022 10.1022 10.5026 10.5026 k = 0.2919 0.6845 0.5020 ( 7745 PWs) bands (ev): -22.3885 -22.3885 -22.3860 -22.3860 -11.2854 -11.2854 -11.0827 -11.0827 -10.5750 -10.5750 -10.5424 -10.5424 -7.0838 -7.0838 -7.0723 -7.0723 -6.2356 -6.2356 -6.2121 -6.2121 -6.2010 -6.2010 -6.1886 -6.1886 -4.7966 -4.7966 -4.5246 -4.5246 -4.1281 -4.1281 -3.9007 -3.9007 -3.8488 -3.8488 -0.8987 -0.8987 -0.5094 -0.5094 0.2023 0.2023 0.5697 0.5697 0.6221 0.6221 0.9814 0.9814 1.2257 1.2257 1.2863 1.2863 1.4200 1.4200 1.5192 1.5192 1.8031 1.8031 2.0384 2.0384 7.2659 7.2659 8.7029 8.7029 9.1180 9.1180 9.7109 9.7109 10.1551 10.1551 10.5081 10.5081 k = 0.2839 0.7021 0.5213 ( 7737 PWs) bands (ev): -22.3885 -22.3885 -22.3859 -22.3859 -11.2787 -11.2787 -11.0864 -11.0864 -10.5765 -10.5765 -10.5418 -10.5418 -7.0846 -7.0846 -7.0712 -7.0712 -6.2365 -6.2365 -6.2112 -6.2112 -6.2008 -6.2008 -6.1881 -6.1881 -4.8066 -4.8066 -4.5249 -4.5249 -4.1334 -4.1334 -3.9016 -3.9016 -3.8491 -3.8491 -0.9033 -0.9033 -0.5043 -0.5043 0.2050 0.2050 0.5619 0.5619 0.6235 0.6235 0.9771 0.9771 1.2261 1.2261 1.2940 1.2940 1.4156 1.4156 1.5202 1.5202 1.8026 1.8026 2.0451 2.0451 7.3436 7.3436 8.7641 8.7641 9.1084 9.1084 9.7289 9.7289 10.2044 10.2044 10.5165 10.5165 k = 0.2759 0.7197 0.5406 ( 7725 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2729 -11.2729 -11.0896 -11.0896 -10.5780 -10.5780 -10.5412 -10.5412 -7.0853 -7.0853 -7.0702 -7.0702 -6.2375 -6.2375 -6.2104 -6.2104 -6.2008 -6.2008 -6.1876 -6.1876 -4.8147 -4.8147 -4.5252 -4.5252 -4.1376 -4.1376 -3.9024 -3.9024 -3.8493 -3.8493 -0.9076 -0.9076 -0.5002 -0.5002 0.2053 0.2053 0.5575 0.5575 0.6256 0.6256 0.9738 0.9738 1.2272 1.2272 1.3014 1.3014 1.4115 1.4115 1.5215 1.5215 1.8013 1.8013 2.0484 2.0484 7.4105 7.4105 8.8247 8.8247 9.0919 9.0919 9.7359 9.7359 10.2482 10.2482 10.5280 10.5280 k = 0.2759 0.7197 0.5406 ( 7725 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2729 -11.2729 -11.0896 -11.0896 -10.5780 -10.5780 -10.5412 -10.5412 -7.0853 -7.0853 -7.0702 -7.0702 -6.2375 -6.2375 -6.2104 -6.2104 -6.2008 -6.2008 -6.1876 -6.1876 -4.8147 -4.8147 -4.5252 -4.5252 -4.1376 -4.1376 -3.9024 -3.9024 -3.8493 -3.8493 -0.9076 -0.9076 -0.5002 -0.5002 0.2053 0.2053 0.5575 0.5575 0.6256 0.6256 0.9738 0.9738 1.2272 1.2272 1.3014 1.3014 1.4115 1.4115 1.5215 1.5215 1.8013 1.8013 2.0484 2.0484 7.4105 7.4105 8.8247 8.8247 9.0919 9.0919 9.7359 9.7359 10.2482 10.2482 10.5280 10.5280 k = 0.2508 0.7145 0.5463 ( 7738 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2714 -11.2714 -11.0904 -11.0904 -10.5784 -10.5784 -10.5410 -10.5410 -7.0855 -7.0855 -7.0699 -7.0699 -6.2377 -6.2377 -6.2101 -6.2101 -6.2008 -6.2008 -6.1875 -6.1875 -4.8167 -4.8167 -4.5253 -4.5253 -4.1386 -4.1386 -3.9026 -3.9026 -3.8494 -3.8494 -0.9088 -0.9088 -0.4992 -0.4992 0.2044 0.2044 0.5568 0.5568 0.6270 0.6270 0.9730 0.9730 1.2277 1.2277 1.3038 1.3038 1.4103 1.4103 1.5220 1.5220 1.8004 1.8004 2.0484 2.0484 7.4281 7.4281 8.8404 8.8404 9.0871 9.0871 9.7372 9.7372 10.2570 10.2570 10.5276 10.5276 k = 0.2258 0.7093 0.5519 ( 7751 PWs) bands (ev): -22.3886 -22.3886 -22.3858 -22.3858 -11.2700 -11.2700 -11.0912 -11.0912 -10.5790 -10.5790 -10.5407 -10.5407 -7.0857 -7.0857 -7.0696 -7.0696 -6.2378 -6.2378 -6.2099 -6.2099 -6.2008 -6.2008 -6.1874 -6.1874 -4.8185 -4.8185 -4.5253 -4.5253 -4.1396 -4.1396 -3.9028 -3.9028 -3.8494 -3.8494 -0.9101 -0.9101 -0.4984 -0.4984 0.2027 0.2027 0.5561 0.5561 0.6296 0.6296 0.9724 0.9724 1.2284 1.2284 1.3068 1.3068 1.4091 1.4091 1.5227 1.5227 1.7990 1.7990 2.0478 2.0478 7.4452 7.4452 8.8515 8.8515 9.0850 9.0850 9.7391 9.7391 10.2593 10.2593 10.5223 10.5223 k = 0.2007 0.7042 0.5576 ( 7752 PWs) bands (ev): -22.3886 -22.3886 -22.3857 -22.3857 -11.2687 -11.2687 -11.0919 -11.0919 -10.5795 -10.5795 -10.5404 -10.5404 -7.0858 -7.0858 -7.0694 -7.0694 -6.2379 -6.2379 -6.2098 -6.2098 -6.2008 -6.2008 -6.1874 -6.1874 -4.8201 -4.8201 -4.5254 -4.5254 -4.1404 -4.1404 -3.9030 -3.9030 -3.8494 -3.8494 -0.9113 -0.9113 -0.4976 -0.4976 0.2002 0.2002 0.5552 0.5552 0.6332 0.6332 0.9718 0.9718 1.2293 1.2293 1.3103 1.3103 1.4078 1.4078 1.5234 1.5234 1.7971 1.7971 2.0467 2.0467 7.4616 7.4616 8.8577 8.8577 9.0856 9.0856 9.7413 9.7413 10.2547 10.2547 10.5196 10.5196 k = 0.1756 0.6990 0.5633 ( 7745 PWs) bands (ev): -22.3887 -22.3887 -22.3857 -22.3857 -11.2676 -11.2676 -11.0925 -11.0925 -10.5801 -10.5801 -10.5401 -10.5401 -7.0859 -7.0859 -7.0692 -7.0692 -6.2378 -6.2378 -6.2096 -6.2096 -6.2009 -6.2009 -6.1874 -6.1874 -4.8215 -4.8215 -4.5254 -4.5254 -4.1411 -4.1411 -3.9031 -3.9031 -3.8494 -3.8494 -0.9125 -0.9125 -0.4969 -0.4969 0.1972 0.1972 0.5543 0.5543 0.6374 0.6374 0.9713 0.9713 1.2301 1.2301 1.3141 1.3141 1.4066 1.4066 1.5243 1.5243 1.7948 1.7948 2.0453 2.0453 7.4771 7.4771 8.8593 8.8593 9.0890 9.0890 9.7435 9.7435 10.2440 10.2440 10.5242 10.5242 k = 0.1505 0.6938 0.5690 ( 7746 PWs) bands (ev): -22.3887 -22.3887 -22.3857 -22.3857 -11.2665 -11.2665 -11.0931 -11.0931 -10.5806 -10.5806 -10.5398 -10.5398 -7.0860 -7.0860 -7.0690 -7.0690 -6.2377 -6.2377 -6.2095 -6.2095 -6.2009 -6.2009 -6.1875 -6.1875 -4.8227 -4.8227 -4.5254 -4.5254 -4.1417 -4.1417 -3.9032 -3.9032 -3.8494 -3.8494 -0.9137 -0.9137 -0.4964 -0.4964 0.1941 0.1941 0.5534 0.5534 0.6419 0.6419 0.9709 0.9709 1.2310 1.2310 1.3180 1.3180 1.4055 1.4055 1.5251 1.5251 1.7923 1.7923 2.0437 2.0437 7.4915 7.4915 8.8574 8.8574 9.0942 9.0942 9.7457 9.7457 10.2291 10.2291 10.5373 10.5373 k = 0.1254 0.6886 0.5747 ( 7752 PWs) bands (ev): -22.3887 -22.3887 -22.3856 -22.3856 -11.2656 -11.2656 -11.0936 -11.0936 -10.5811 -10.5811 -10.5395 -10.5395 -7.0860 -7.0860 -7.0689 -7.0689 -6.2376 -6.2376 -6.2094 -6.2094 -6.2010 -6.2010 -6.1877 -6.1877 -4.8238 -4.8238 -4.5254 -4.5254 -4.1423 -4.1423 -3.9034 -3.9034 -3.8493 -3.8493 -0.9147 -0.9147 -0.4959 -0.4959 0.1909 0.1909 0.5525 0.5525 0.6463 0.6463 0.9706 0.9706 1.2318 1.2318 1.3219 1.3219 1.4045 1.4045 1.5258 1.5258 1.7896 1.7896 2.0421 2.0421 7.5044 7.5044 8.8532 8.8532 9.1005 9.1005 9.7475 9.7475 10.2127 10.2127 10.5580 10.5580 k = 0.1003 0.6834 0.5804 ( 7748 PWs) bands (ev): -22.3887 -22.3887 -22.3856 -22.3856 -11.2648 -11.2648 -11.0940 -11.0940 -10.5816 -10.5816 -10.5393 -10.5393 -7.0860 -7.0860 -7.0688 -7.0688 -6.2374 -6.2374 -6.2094 -6.2094 -6.2010 -6.2010 -6.1878 -6.1878 -4.8246 -4.8246 -4.5254 -4.5254 -4.1427 -4.1427 -3.9035 -3.9035 -3.8493 -3.8493 -0.9155 -0.9155 -0.4955 -0.4955 0.1881 0.1881 0.5517 0.5517 0.6503 0.6503 0.9704 0.9704 1.2326 1.2326 1.3255 1.3255 1.4036 1.4036 1.5265 1.5265 1.7871 1.7871 2.0407 2.0407 7.5155 7.5155 8.8478 8.8478 9.1067 9.1067 9.7489 9.7489 10.1969 10.1969 10.5848 10.5848 k = 0.0753 0.6783 0.5861 ( 7740 PWs) bands (ev): -22.3888 -22.3888 -22.3856 -22.3856 -11.2642 -11.2642 -11.0944 -11.0944 -10.5820 -10.5820 -10.5391 -10.5391 -7.0861 -7.0861 -7.0687 -7.0687 -6.2372 -6.2372 -6.2093 -6.2093 -6.2010 -6.2010 -6.1879 -6.1879 -4.8253 -4.8253 -4.5254 -4.5254 -4.1429 -4.1429 -3.9035 -3.9035 -3.8492 -3.8492 -0.9162 -0.9162 -0.4952 -0.4952 0.1856 0.1856 0.5510 0.5510 0.6537 0.6537 0.9702 0.9702 1.2332 1.2332 1.3286 1.3286 1.4029 1.4029 1.5271 1.5271 1.7848 1.7848 2.0394 2.0394 7.5246 7.5246 8.8425 8.8425 9.1123 9.1123 9.7499 9.7499 10.1833 10.1833 10.6158 10.6158 k = 0.0502 0.6731 0.5918 ( 7737 PWs) bands (ev): -22.3888 -22.3888 -22.3856 -22.3856 -11.2638 -11.2638 -11.0946 -11.0946 -10.5822 -10.5822 -10.5389 -10.5389 -7.0861 -7.0861 -7.0687 -7.0687 -6.2371 -6.2371 -6.2093 -6.2093 -6.2011 -6.2011 -6.1880 -6.1880 -4.8257 -4.8257 -4.5254 -4.5254 -4.1432 -4.1432 -3.9035 -3.9035 -3.8492 -3.8492 -0.9167 -0.9167 -0.4950 -0.4950 0.1838 0.1838 0.5505 0.5505 0.6563 0.6563 0.9701 0.9701 1.2336 1.2336 1.3309 1.3309 1.4024 1.4024 1.5276 1.5276 1.7830 1.7830 2.0384 2.0384 7.5313 7.5313 8.8381 8.8381 9.1167 9.1167 9.7505 9.7505 10.1730 10.1730 10.6492 10.6492 k = 0.0251 0.6679 0.5974 ( 7733 PWs) bands (ev): -22.3888 -22.3888 -22.3856 -22.3856 -11.2635 -11.2635 -11.0948 -11.0948 -10.5824 -10.5824 -10.5388 -10.5388 -7.0861 -7.0861 -7.0687 -7.0687 -6.2370 -6.2370 -6.2093 -6.2093 -6.2011 -6.2011 -6.1881 -6.1881 -4.8260 -4.8260 -4.5254 -4.5254 -4.1433 -4.1433 -3.9036 -3.9036 -3.8491 -3.8491 -0.9170 -0.9170 -0.4949 -0.4949 0.1826 0.1826 0.5501 0.5501 0.6579 0.6579 0.9700 0.9700 1.2339 1.2339 1.3324 1.3324 1.4021 1.4021 1.5279 1.5279 1.7819 1.7819 2.0378 2.0378 7.5354 7.5354 8.8352 8.8352 9.1194 9.1194 9.7509 9.7509 10.1666 10.1666 10.6817 10.6817 k = 0.0000 0.6627 0.6031 ( 7734 PWs) bands (ev): -22.3888 -22.3888 -22.3856 -22.3856 -11.2634 -11.2634 -11.0948 -11.0948 -10.5824 -10.5824 -10.5388 -10.5388 -7.0861 -7.0861 -7.0687 -7.0687 -6.2370 -6.2370 -6.2093 -6.2093 -6.2011 -6.2011 -6.1881 -6.1881 -4.8261 -4.8261 -4.5254 -4.5254 -4.1434 -4.1434 -3.9036 -3.9036 -3.8491 -3.8491 -0.9171 -0.9171 -0.4948 -0.4948 0.1822 0.1822 0.5500 0.5500 0.6585 0.6585 0.9700 0.9700 1.2340 1.2340 1.3330 1.3330 1.4020 1.4020 1.5279 1.5279 1.7815 1.7815 2.0376 2.0376 7.5368 7.5368 8.8342 8.8342 9.1204 9.1204 9.7510 9.7510 10.1644 10.1644 10.7004 10.7004 k = 0.0000 0.6627 0.6031 ( 7734 PWs) bands (ev): -22.3888 -22.3888 -22.3856 -22.3856 -11.2634 -11.2634 -11.0948 -11.0948 -10.5824 -10.5824 -10.5388 -10.5388 -7.0861 -7.0861 -7.0687 -7.0687 -6.2370 -6.2370 -6.2093 -6.2093 -6.2011 -6.2011 -6.1881 -6.1881 -4.8261 -4.8261 -4.5254 -4.5254 -4.1434 -4.1434 -3.9036 -3.9036 -3.8491 -3.8491 -0.9171 -0.9171 -0.4948 -0.4948 0.1822 0.1822 0.5500 0.5500 0.6585 0.6585 0.9700 0.9700 1.2340 1.2340 1.3330 1.3330 1.4020 1.4020 1.5279 1.5279 1.7815 1.7815 2.0376 2.0376 7.5368 7.5368 8.8342 8.8342 9.1204 9.1204 9.7510 9.7510 10.1644 10.1644 10.7004 10.7004 k = 0.0081 0.6450 0.6226 ( 7728 PWs) bands (ev): -22.3888 -22.3888 -22.3856 -22.3856 -11.2630 -11.2630 -11.0948 -11.0948 -10.5825 -10.5825 -10.5387 -10.5387 -7.0862 -7.0862 -7.0686 -7.0686 -6.2372 -6.2372 -6.2092 -6.2092 -6.2012 -6.2012 -6.1881 -6.1881 -4.8261 -4.8261 -4.5258 -4.5258 -4.1434 -4.1434 -3.9037 -3.9037 -3.8498 -3.8498 -0.9403 -0.9403 -0.4693 -0.4693 0.1827 0.1827 0.5505 0.5505 0.6561 0.6561 0.9730 0.9730 1.2338 1.2338 1.3281 1.3281 1.4073 1.4073 1.5280 1.5280 1.7816 1.7816 2.0376 2.0376 7.5383 7.5383 8.8345 8.8345 9.1199 9.1199 9.7480 9.7480 10.1646 10.1646 10.6956 10.6956 k = 0.0161 0.6273 0.6420 ( 7736 PWs) bands (ev): -22.3888 -22.3888 -22.3855 -22.3855 -11.2619 -11.2619 -11.0948 -11.0948 -10.5826 -10.5826 -10.5386 -10.5386 -7.0866 -7.0866 -7.0686 -7.0686 -6.2379 -6.2379 -6.2090 -6.2090 -6.2017 -6.2017 -6.1881 -6.1881 -4.8264 -4.8264 -4.5272 -4.5272 -4.1436 -4.1436 -3.9043 -3.9043 -3.8520 -3.8520 -0.9979 -0.9979 -0.4045 -0.4045 0.1842 0.1842 0.5519 0.5519 0.6494 0.6494 0.9816 0.9816 1.2329 1.2329 1.3168 1.3168 1.4202 1.4202 1.5281 1.5281 1.7818 1.7818 2.0377 2.0377 7.5430 7.5430 8.8353 8.8353 9.1184 9.1184 9.7390 9.7390 10.1650 10.1650 10.6810 10.6810 k = 0.0242 0.6096 0.6615 ( 7732 PWs) bands (ev): -22.3887 -22.3887 -22.3855 -22.3855 -11.2599 -11.2599 -11.0948 -11.0948 -10.5829 -10.5829 -10.5384 -10.5384 -7.0873 -7.0873 -7.0685 -7.0685 -6.2390 -6.2390 -6.2087 -6.2087 -6.2025 -6.2025 -6.1881 -6.1881 -4.8267 -4.8267 -4.5293 -4.5293 -4.1438 -4.1438 -3.9052 -3.9052 -3.8556 -3.8556 -1.0718 -1.0718 -0.3187 -0.3187 0.1867 0.1867 0.5541 0.5541 0.6391 0.6391 0.9951 0.9951 1.2308 1.2308 1.3039 1.3039 1.4363 1.4363 1.5285 1.5285 1.7822 1.7822 2.0377 2.0377 7.5508 7.5508 8.8365 8.8365 9.1159 9.1159 9.7242 9.7242 10.1657 10.1657 10.6570 10.6570 k = 0.0323 0.5919 0.6810 ( 7738 PWs) bands (ev): -22.3887 -22.3887 -22.3855 -22.3855 -11.2572 -11.2572 -11.0948 -11.0948 -10.5832 -10.5832 -10.5381 -10.5381 -7.0883 -7.0883 -7.0684 -7.0684 -6.2405 -6.2405 -6.2085 -6.2085 -6.2033 -6.2033 -6.1882 -6.1882 -4.8272 -4.8272 -4.5324 -4.5324 -4.1442 -4.1442 -3.9065 -3.9065 -3.8604 -3.8604 -1.1520 -1.1520 -0.2222 -0.2222 0.1902 0.1902 0.5570 0.5570 0.6264 0.6264 1.0122 1.0122 1.2264 1.2264 1.2925 1.2925 1.4537 1.4537 1.5291 1.5291 1.7827 1.7827 2.0377 2.0377 7.5618 7.5618 8.8381 8.8381 9.1124 9.1124 9.7039 9.7039 10.1667 10.1667 10.6281 10.6281 k = 0.0403 0.5742 0.7004 ( 7738 PWs) bands (ev): -22.3887 -22.3887 -22.3855 -22.3855 -11.2538 -11.2538 -11.0948 -11.0948 -10.5837 -10.5837 -10.5377 -10.5377 -7.0895 -7.0895 -7.0683 -7.0683 -6.2423 -6.2423 -6.2087 -6.2087 -6.2040 -6.2040 -6.1883 -6.1883 -4.8279 -4.8279 -4.5363 -4.5363 -4.1447 -4.1447 -3.9084 -3.9084 -3.8663 -3.8663 -1.2336 -1.2336 -0.1199 -0.1199 0.1945 0.1945 0.5603 0.5603 0.6125 0.6125 1.0318 1.0318 1.2186 1.2186 1.2850 1.2850 1.4712 1.4712 1.5304 1.5304 1.7833 1.7833 2.0378 2.0378 7.5758 7.5758 8.8398 8.8398 9.1079 9.1079 9.6785 9.6785 10.1678 10.1678 10.5985 10.5985 k = 0.0484 0.5565 0.7199 ( 7732 PWs) bands (ev): -22.3887 -22.3887 -22.3855 -22.3855 -11.2497 -11.2497 -11.0947 -11.0947 -10.5842 -10.5842 -10.5373 -10.5373 -7.0909 -7.0909 -7.0682 -7.0682 -6.2444 -6.2444 -6.2097 -6.2097 -6.2042 -6.2042 -6.1884 -6.1884 -4.8287 -4.8287 -4.5411 -4.5411 -4.1452 -4.1452 -3.9109 -3.9109 -3.8729 -3.8729 -1.3143 -1.3143 -0.0144 -0.0144 0.1997 0.1997 0.5629 0.5629 0.5992 0.5992 1.0527 1.0527 1.2071 1.2071 1.2822 1.2822 1.4879 1.4879 1.5329 1.5329 1.7841 1.7841 2.0379 2.0379 7.5930 7.5930 8.8414 8.8414 9.1023 9.1023 9.6487 9.6487 10.1685 10.1685 10.5695 10.5695 k = 0.0565 0.5388 0.7393 ( 7740 PWs) bands (ev): -22.3886 -22.3886 -22.3854 -22.3854 -11.2449 -11.2449 -11.0947 -11.0947 -10.5849 -10.5849 -10.5368 -10.5368 -7.0925 -7.0925 -7.0682 -7.0682 -6.2466 -6.2466 -6.2113 -6.2113 -6.2040 -6.2040 -6.1886 -6.1886 -4.8297 -4.8297 -4.5468 -4.5468 -4.1460 -4.1460 -3.9146 -3.9146 -3.8799 -3.8799 -1.3928 -1.3928 0.0926 0.0926 0.2057 0.2057 0.5613 0.5613 0.5906 0.5906 1.0734 1.0734 1.1935 1.1935 1.2837 1.2837 1.5025 1.5025 1.5379 1.5379 1.7850 1.7850 2.0380 2.0380 7.6133 7.6133 8.8428 8.8428 9.0957 9.0957 9.6151 9.6151 10.1683 10.1683 10.5409 10.5409 k = 0.0645 0.5211 0.7588 ( 7752 PWs) bands (ev): -22.3886 -22.3886 -22.3854 -22.3854 -11.2395 -11.2395 -11.0947 -11.0947 -10.5857 -10.5857 -10.5362 -10.5362 -7.0942 -7.0942 -7.0681 -7.0681 -6.2490 -6.2490 -6.2135 -6.2135 -6.2035 -6.2035 -6.1889 -6.1889 -4.8310 -4.8310 -4.5533 -4.5533 -4.1469 -4.1469 -3.9199 -3.9199 -3.8865 -3.8865 -1.4684 -1.4684 0.1994 0.1994 0.2131 0.2131 0.5521 0.5521 0.5905 0.5905 1.0918 1.0918 1.1803 1.1803 1.2887 1.2887 1.5133 1.5133 1.5470 1.5470 1.7861 1.7861 2.0381 2.0381 7.6368 7.6368 8.8435 8.8435 9.0881 9.0881 9.5784 9.5784 10.1662 10.1662 10.5106 10.5106 k = 0.0726 0.5034 0.7782 ( 7742 PWs) bands (ev): -22.3885 -22.3885 -22.3854 -22.3854 -11.2335 -11.2335 -11.0946 -11.0946 -10.5865 -10.5865 -10.5356 -10.5356 -7.0961 -7.0961 -7.0682 -7.0682 -6.2516 -6.2516 -6.2159 -6.2159 -6.2030 -6.2030 -6.1893 -6.1893 -4.8324 -4.8324 -4.5606 -4.5606 -4.1478 -4.1478 -3.9270 -3.9270 -3.8923 -3.8923 -1.5407 -1.5407 0.2192 0.2192 0.3074 0.3074 0.5389 0.5389 0.5958 0.5958 1.1037 1.1037 1.1716 1.1716 1.2969 1.2969 1.5203 1.5203 1.5602 1.5602 1.7874 1.7874 2.0383 2.0383 7.6634 7.6634 8.8432 8.8432 9.0795 9.0795 9.5392 9.5392 10.1616 10.1616 10.4743 10.4743 k = 0.0806 0.4857 0.7977 ( 7744 PWs) bands (ev): -22.3885 -22.3885 -22.3853 -22.3853 -11.2269 -11.2269 -11.0946 -11.0946 -10.5875 -10.5875 -10.5349 -10.5349 -7.0981 -7.0981 -7.0682 -7.0682 -6.2542 -6.2542 -6.2185 -6.2185 -6.2025 -6.2025 -6.1898 -6.1898 -4.8341 -4.8341 -4.5687 -4.5687 -4.1490 -4.1490 -3.9361 -3.9361 -3.8969 -3.8969 -1.6093 -1.6093 0.2267 0.2267 0.4126 0.4126 0.5251 0.5251 0.6036 0.6036 1.1035 1.1035 1.1728 1.1728 1.3083 1.3083 1.5258 1.5258 1.5756 1.5756 1.7888 1.7888 2.0384 2.0384 7.6931 7.6931 8.8418 8.8418 9.0700 9.0700 9.4983 9.4983 10.1540 10.1540 10.4282 10.4282 k = 0.0887 0.4680 0.8171 ( 7748 PWs) bands (ev): -22.3884 -22.3884 -22.3853 -22.3853 -11.2199 -11.2199 -11.0946 -11.0946 -10.5886 -10.5886 -10.5342 -10.5342 -7.1001 -7.1001 -7.0683 -7.0683 -6.2568 -6.2568 -6.2214 -6.2214 -6.2021 -6.2021 -6.1903 -6.1903 -4.8361 -4.8361 -4.5776 -4.5776 -4.1503 -4.1503 -3.9468 -3.9468 -3.9006 -3.9006 -1.6741 -1.6741 0.2344 0.2344 0.5110 0.5110 0.5153 0.5153 0.6137 0.6137 1.0924 1.0924 1.1821 1.1821 1.3230 1.3230 1.5315 1.5315 1.5917 1.5917 1.7905 1.7905 2.0386 2.0386 7.7259 7.7259 8.8387 8.8387 9.0598 9.0598 9.4563 9.4563 10.1433 10.1433 10.3737 10.3737 k = 0.0968 0.4503 0.8366 ( 7746 PWs) bands (ev): -22.3884 -22.3884 -22.3852 -22.3852 -11.2124 -11.2124 -11.0945 -11.0945 -10.5898 -10.5898 -10.5334 -10.5334 -7.1023 -7.1023 -7.0684 -7.0684 -6.2595 -6.2595 -6.2243 -6.2243 -6.2017 -6.2017 -6.1908 -6.1908 -4.8383 -4.8383 -4.5871 -4.5871 -4.1518 -4.1518 -3.9586 -3.9586 -3.9036 -3.9036 -1.7349 -1.7349 0.2420 0.2420 0.5001 0.5001 0.5998 0.5998 0.6375 0.6375 1.0763 1.0763 1.1937 1.1937 1.3409 1.3409 1.5384 1.5384 1.6079 1.6079 1.7924 1.7924 2.0389 2.0389 7.7617 7.7617 8.8339 8.8339 9.0489 9.0489 9.4138 9.4138 10.1301 10.1301 10.3148 10.3148 k = 0.1048 0.4326 0.8561 ( 7740 PWs) bands (ev): -22.3883 -22.3883 -22.3852 -22.3852 -11.2046 -11.2046 -11.0945 -11.0945 -10.5910 -10.5910 -10.5326 -10.5326 -7.1045 -7.1045 -7.0685 -7.0685 -6.2622 -6.2622 -6.2274 -6.2274 -6.2014 -6.2014 -6.1915 -6.1915 -4.8410 -4.8410 -4.5972 -4.5972 -4.1534 -4.1534 -3.9709 -3.9709 -3.9063 -3.9063 -1.7918 -1.7918 0.2492 0.2492 0.4901 0.4901 0.6244 0.6244 0.7182 0.7182 1.0580 1.0580 1.2047 1.2047 1.3617 1.3617 1.5473 1.5473 1.6237 1.6237 1.7946 1.7946 2.0391 2.0391 7.8006 7.8006 8.8269 8.8269 9.0375 9.0375 9.3716 9.3716 10.1148 10.1148 10.2543 10.2543 k = 0.1129 0.4149 0.8755 ( 7744 PWs) bands (ev): -22.3883 -22.3883 -22.3851 -22.3851 -11.1964 -11.1964 -11.0944 -11.0944 -10.5924 -10.5924 -10.5318 -10.5318 -7.1067 -7.1067 -7.0687 -7.0687 -6.2649 -6.2649 -6.2305 -6.2305 -6.2012 -6.2012 -6.1921 -6.1921 -4.8440 -4.8440 -4.6078 -4.6078 -4.1554 -4.1554 -3.9834 -3.9834 -3.9086 -3.9086 -1.8446 -1.8446 0.2558 0.2558 0.4821 0.4821 0.6360 0.6360 0.8066 0.8066 1.0389 1.0389 1.2144 1.2144 1.3846 1.3846 1.5590 1.5590 1.6392 1.6392 1.7971 1.7971 2.0395 2.0395 7.8424 7.8424 8.8177 8.8177 9.0259 9.0259 9.3301 9.3301 10.0983 10.0983 10.1938 10.1938 k = 0.1210 0.3972 0.8950 ( 7748 PWs) bands (ev): -22.3882 -22.3882 -22.3851 -22.3851 -11.1881 -11.1881 -11.0944 -11.0944 -10.5939 -10.5939 -10.5309 -10.5309 -7.1089 -7.1089 -7.0689 -7.0689 -6.2676 -6.2676 -6.2337 -6.2337 -6.2010 -6.2010 -6.1927 -6.1927 -4.8475 -4.8475 -4.6187 -4.6187 -4.1575 -4.1575 -3.9959 -3.9959 -3.9108 -3.9108 -1.8935 -1.8935 0.2613 0.2613 0.4766 0.4766 0.6466 0.6466 0.8891 0.8891 1.0193 1.0193 1.2229 1.2229 1.4089 1.4089 1.5744 1.5744 1.6541 1.6541 1.8002 1.8002 2.0399 2.0399 7.8871 7.8871 8.8061 8.8061 9.0142 9.0142 9.2899 9.2899 10.0810 10.0810 10.1345 10.1345 k = 0.1290 0.3795 0.9144 ( 7742 PWs) bands (ev): -22.3882 -22.3882 -22.3850 -22.3850 -11.1796 -11.1796 -11.0943 -11.0943 -10.5954 -10.5954 -10.5301 -10.5301 -7.1111 -7.1111 -7.0691 -7.0691 -6.2701 -6.2701 -6.2369 -6.2369 -6.2010 -6.2010 -6.1933 -6.1933 -4.8514 -4.8514 -4.6298 -4.6298 -4.1598 -4.1598 -4.0079 -4.0079 -3.9128 -3.9128 -1.9386 -1.9386 0.2656 0.2656 0.4739 0.4739 0.6569 0.6569 0.9630 0.9630 0.9999 0.9999 1.2305 1.2305 1.4340 1.4340 1.5941 1.5941 1.6684 1.6684 1.8040 1.8040 2.0405 2.0405 7.9344 7.9344 8.7921 8.7921 9.0027 9.0027 9.2515 9.2515 10.0631 10.0631 10.0771 10.0771 k = 0.1371 0.3617 0.9339 ( 7726 PWs) bands (ev): -22.3881 -22.3881 -22.3850 -22.3850 -11.1710 -11.1710 -11.0943 -11.0943 -10.5971 -10.5971 -10.5293 -10.5293 -7.1133 -7.1133 -7.0693 -7.0693 -6.2726 -6.2726 -6.2400 -6.2400 -6.2012 -6.2012 -6.1939 -6.1939 -4.8558 -4.8558 -4.6408 -4.6408 -4.1624 -4.1624 -4.0193 -4.0193 -3.9147 -3.9147 -1.9798 -1.9798 0.2684 0.2684 0.4740 0.4740 0.6672 0.6672 0.9791 0.9791 1.0285 1.0285 1.2374 1.2374 1.4593 1.4593 1.6183 1.6183 1.6823 1.6823 1.8090 1.8090 2.0412 2.0412 7.9842 7.9842 8.7760 8.7760 8.9917 8.9917 9.2154 9.2154 10.0214 10.0214 10.0454 10.0454 k = 0.1452 0.3440 0.9533 ( 7720 PWs) bands (ev): -22.3880 -22.3880 -22.3849 -22.3849 -11.1625 -11.1625 -11.0942 -11.0942 -10.5987 -10.5987 -10.5284 -10.5284 -7.1154 -7.1154 -7.0695 -7.0695 -6.2751 -6.2751 -6.2431 -6.2431 -6.2014 -6.2014 -6.1944 -6.1944 -4.8608 -4.8608 -4.6516 -4.6516 -4.1652 -4.1652 -4.0300 -4.0300 -3.9165 -3.9165 -2.0174 -2.0174 0.2698 0.2698 0.4771 0.4771 0.6772 0.6772 0.9594 0.9594 1.0822 1.0822 1.2439 1.2439 1.4844 1.4844 1.6461 1.6461 1.6961 1.6961 1.8156 1.8156 2.0422 2.0422 8.0361 8.0361 8.7580 8.7580 8.9814 8.9814 9.1819 9.1819 9.9689 9.9689 10.0270 10.0270 k = 0.1532 0.3263 0.9728 ( 7724 PWs) bands (ev): -22.3880 -22.3880 -22.3849 -22.3849 -11.1541 -11.1541 -11.0942 -11.0942 -10.6004 -10.6004 -10.5276 -10.5276 -7.1175 -7.1175 -7.0698 -7.0698 -6.2774 -6.2774 -6.2460 -6.2460 -6.2018 -6.2018 -6.1948 -6.1948 -4.8663 -4.8663 -4.6620 -4.6620 -4.1682 -4.1682 -4.0398 -4.0398 -3.9182 -3.9182 -2.0515 -2.0515 0.2697 0.2697 0.4829 0.4829 0.6869 0.6869 0.9397 0.9397 1.1253 1.1253 1.2503 1.2503 1.5088 1.5088 1.6748 1.6748 1.7108 1.7108 1.8252 1.8252 2.0435 2.0435 8.0897 8.0897 8.7384 8.7384 8.9723 8.9723 9.1512 9.1512 9.9195 9.9195 10.0084 10.0084 k = 0.1613 0.3086 0.9922 ( 7730 PWs) bands (ev): -22.3879 -22.3879 -22.3848 -22.3848 -11.1459 -11.1459 -11.0941 -11.0941 -10.6021 -10.6021 -10.5269 -10.5269 -7.1195 -7.1195 -7.0700 -7.0700 -6.2795 -6.2795 -6.2489 -6.2489 -6.2022 -6.2022 -6.1952 -6.1952 -4.8723 -4.8723 -4.6718 -4.6718 -4.1714 -4.1714 -4.0487 -4.0487 -3.9198 -3.9198 -2.0823 -2.0823 0.2684 0.2684 0.4911 0.4911 0.6962 0.6962 0.9199 0.9199 1.1583 1.1583 1.2567 1.2567 1.5325 1.5325 1.6985 1.6985 1.7286 1.7286 1.8399 1.8399 2.0453 2.0453 8.1444 8.1444 8.7178 8.7178 8.9646 8.9646 9.1235 9.1235 9.8735 9.8735 9.9898 9.9898 k = 0.1694 0.2909 1.0117 ( 7726 PWs) bands (ev): -22.3879 -22.3879 -22.3848 -22.3848 -11.1380 -11.1380 -11.0941 -11.0941 -10.6039 -10.6039 -10.5261 -10.5261 -7.1213 -7.1213 -7.0702 -7.0702 -6.2816 -6.2816 -6.2516 -6.2516 -6.2028 -6.2028 -6.1954 -6.1954 -4.8787 -4.8787 -4.6809 -4.6809 -4.1746 -4.1746 -4.0565 -4.0565 -3.9213 -3.9213 -2.1098 -2.1098 0.2663 0.2663 0.5014 0.5014 0.7051 0.7051 0.9004 0.9004 1.1826 1.1826 1.2631 1.2631 1.5549 1.5549 1.7142 1.7142 1.7484 1.7484 1.8616 1.8616 2.0480 2.0480 8.1995 8.1995 8.6968 8.6968 8.9589 8.9589 9.0988 9.0988 9.8313 9.8313 9.9713 9.9713 k = 0.1774 0.2732 1.0312 ( 7722 PWs) bands (ev): -22.3878 -22.3878 -22.3848 -22.3848 -11.1305 -11.1305 -11.0940 -11.0940 -10.6055 -10.6055 -10.5254 -10.5254 -7.1231 -7.1231 -7.0704 -7.0704 -6.2835 -6.2835 -6.2541 -6.2541 -6.2034 -6.2034 -6.1956 -6.1956 -4.8854 -4.8854 -4.6891 -4.6891 -4.1779 -4.1779 -4.0634 -4.0634 -3.9226 -3.9226 -2.1341 -2.1341 0.2636 0.2636 0.5133 0.5133 0.7134 0.7134 0.8811 0.8811 1.1999 1.1999 1.2694 1.2694 1.5760 1.5760 1.7251 1.7251 1.7647 1.7647 1.8903 1.8903 2.0521 2.0521 8.2539 8.2539 8.6763 8.6763 8.9555 8.9555 9.0770 9.0770 9.7933 9.7933 9.9532 9.9532 k = 0.1855 0.2555 1.0506 ( 7722 PWs) bands (ev): -22.3878 -22.3878 -22.3847 -22.3847 -11.1235 -11.1235 -11.0939 -11.0939 -10.6072 -10.6072 -10.5248 -10.5248 -7.1247 -7.1247 -7.0706 -7.0706 -6.2852 -6.2852 -6.2564 -6.2564 -6.2040 -6.2040 -6.1958 -6.1958 -4.8922 -4.8922 -4.6964 -4.6964 -4.1812 -4.1812 -4.0693 -4.0693 -3.9239 -3.9239 -2.1556 -2.1556 0.2606 0.2606 0.5265 0.5265 0.7210 0.7210 0.8620 0.8620 1.2122 1.2122 1.2752 1.2752 1.5954 1.5954 1.7335 1.7335 1.7761 1.7761 1.9220 1.9220 2.0583 2.0583 8.3063 8.3063 8.6569 8.6569 8.9552 8.9552 9.0580 9.0580 9.7598 9.7598 9.9357 9.9357 k = 0.1935 0.2378 1.0701 ( 7728 PWs) bands (ev): -22.3877 -22.3877 -22.3847 -22.3847 -11.1171 -11.1171 -11.0939 -11.0939 -10.6087 -10.6087 -10.5242 -10.5242 -7.1261 -7.1261 -7.0708 -7.0708 -6.2868 -6.2868 -6.2585 -6.2585 -6.2047 -6.2047 -6.1959 -6.1959 -4.8990 -4.8990 -4.7027 -4.7027 -4.1843 -4.1843 -4.0743 -4.0743 -3.9250 -3.9250 -2.1741 -2.1741 0.2575 0.2575 0.5405 0.5405 0.7279 0.7279 0.8434 0.8434 1.2208 1.2208 1.2804 1.2804 1.6130 1.6130 1.7404 1.7404 1.7842 1.7842 1.9515 1.9515 2.0682 2.0682 8.3550 8.3550 8.6395 8.6395 8.9582 8.9582 9.0417 9.0417 9.7313 9.7313 9.9191 9.9191 k = 0.2016 0.2201 1.0895 ( 7720 PWs) bands (ev): -22.3877 -22.3877 -22.3847 -22.3847 -11.1113 -11.1113 -11.0937 -11.0937 -10.6101 -10.6101 -10.5237 -10.5237 -7.1274 -7.1274 -7.0709 -7.0709 -6.2881 -6.2881 -6.2603 -6.2603 -6.2052 -6.2052 -6.1960 -6.1960 -4.9054 -4.9054 -4.7081 -4.7081 -4.1872 -4.1872 -4.0784 -4.0784 -3.9259 -3.9259 -2.1900 -2.1900 0.2546 0.2546 0.5551 0.5551 0.7340 0.7340 0.8254 0.8254 1.2269 1.2269 1.2848 1.2848 1.6285 1.6285 1.7461 1.7461 1.7901 1.7901 1.9746 1.9746 2.0828 2.0828 8.3981 8.3981 8.6252 8.6252 8.9651 8.9651 9.0279 9.0279 9.7082 9.7082 9.9037 9.9037 k = 0.2097 0.2024 1.1090 ( 7724 PWs) bands (ev): -22.3877 -22.3877 -22.3846 -22.3846 -11.1064 -11.1064 -11.0936 -11.0936 -10.6113 -10.6113 -10.5232 -10.5232 -7.1285 -7.1285 -7.0710 -7.0710 -6.2893 -6.2893 -6.2619 -6.2619 -6.2058 -6.2058 -6.1960 -6.1960 -4.9113 -4.9113 -4.7125 -4.7125 -4.1899 -4.1899 -4.0818 -4.0818 -3.9268 -3.9268 -2.2033 -2.2033 0.2519 0.2519 0.5697 0.5697 0.7391 0.7391 0.8082 0.8082 1.2314 1.2314 1.2882 1.2882 1.6419 1.6419 1.7507 1.7507 1.7946 1.7946 1.9901 1.9901 2.1015 2.1015 8.4333 8.4333 8.6151 8.6151 8.9757 8.9757 9.0166 9.0166 9.6911 9.6911 9.8895 9.8895 k = 0.2177 0.1847 1.1284 ( 7724 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.1024 -11.1024 -11.0934 -11.0934 -10.6124 -10.6124 -10.5229 -10.5229 -7.1294 -7.1294 -7.0711 -7.0711 -6.2903 -6.2903 -6.2633 -6.2633 -6.2062 -6.2062 -6.1961 -6.1961 -4.9165 -4.9165 -4.7160 -4.7160 -4.1921 -4.1921 -4.0845 -4.0845 -3.9275 -3.9275 -2.2140 -2.2140 0.2496 0.2496 0.5839 0.5839 0.7431 0.7431 0.7923 0.7923 1.2346 1.2346 1.2909 1.2909 1.6530 1.6530 1.7543 1.7543 1.7981 1.7981 1.9995 1.9995 2.1214 2.1214 8.4590 8.4590 8.6099 8.6099 8.9891 8.9891 9.0078 9.0078 9.6804 9.6804 9.8763 9.8763 k = 0.2258 0.1670 1.1479 ( 7726 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0994 -11.0994 -11.0930 -11.0930 -10.6133 -10.6133 -10.5226 -10.5226 -7.1301 -7.1301 -7.0712 -7.0712 -6.2910 -6.2910 -6.2643 -6.2643 -6.2066 -6.2066 -6.1961 -6.1961 -4.9208 -4.9208 -4.7187 -4.7187 -4.1939 -4.1939 -4.0865 -4.0865 -3.9280 -3.9280 -2.2222 -2.2222 0.2478 0.2478 0.5971 0.5971 0.7457 0.7457 0.7785 0.7785 1.2368 1.2368 1.2929 1.2929 1.6618 1.6618 1.7571 1.7571 1.8007 1.8007 2.0051 2.0051 2.1395 2.1395 8.4751 8.4751 8.6093 8.6093 8.9980 8.9980 9.0069 9.0069 9.6762 9.6762 9.8634 9.8634 k = 0.2339 0.1493 1.1673 ( 7726 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0975 -11.0975 -11.0924 -11.0924 -10.6139 -10.6139 -10.5223 -10.5223 -7.1307 -7.1307 -7.0713 -7.0713 -6.2916 -6.2916 -6.2650 -6.2650 -6.2069 -6.2069 -6.1961 -6.1961 -4.9239 -4.9239 -4.7206 -4.7206 -4.1952 -4.1952 -4.0879 -4.0879 -3.9284 -3.9284 -2.2281 -2.2281 0.2464 0.2464 0.6081 0.6081 0.7464 0.7464 0.7683 0.7683 1.2384 1.2384 1.2942 1.2942 1.6681 1.6681 1.7590 1.7590 1.8025 1.8025 2.0082 2.0082 2.1535 2.1535 8.4835 8.4835 8.6115 8.6115 8.9944 8.9944 9.0194 9.0194 9.6779 9.6779 9.8494 9.8494 k = 0.2419 0.1316 1.1868 ( 7738 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0966 -11.0966 -11.0918 -11.0918 -10.6143 -10.6143 -10.5222 -10.5222 -7.1310 -7.1310 -7.0713 -7.0713 -6.2919 -6.2919 -6.2655 -6.2655 -6.2070 -6.2070 -6.1961 -6.1961 -4.9259 -4.9259 -4.7218 -4.7218 -4.1961 -4.1961 -4.0887 -4.0887 -3.9287 -3.9287 -2.2316 -2.2316 0.2456 0.2456 0.6157 0.6157 0.7450 0.7450 0.7629 0.7629 1.2392 1.2392 1.2950 1.2950 1.6718 1.6718 1.7602 1.7602 1.8036 1.8036 2.0099 2.0099 2.1624 2.1624 8.4871 8.4871 8.6140 8.6140 8.9916 8.9916 9.0291 9.0291 9.6827 9.6827 9.8349 9.8349 k = 0.2500 0.1139 1.2063 ( 7732 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6144 -10.6144 -10.5222 -10.5222 -7.1311 -7.1311 -7.0713 -7.0713 -6.2920 -6.2920 -6.2656 -6.2656 -6.2071 -6.2071 -6.1961 -6.1961 -4.9265 -4.9265 -4.7221 -4.7221 -4.1963 -4.1963 -4.0890 -4.0890 -3.9287 -3.9287 -2.2327 -2.2327 0.2453 0.2453 0.6185 0.6185 0.7439 0.7439 0.7616 0.7616 1.2395 1.2395 1.2952 1.2952 1.6731 1.6731 1.7605 1.7605 1.8040 1.8040 2.0104 2.0104 2.1654 2.1654 8.4880 8.4880 8.6150 8.6150 8.9907 8.9907 9.0327 9.0327 9.6854 9.6854 9.8279 9.8279 k = 0.2500 0.1139 1.2063 ( 7732 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6144 -10.6144 -10.5222 -10.5222 -7.1311 -7.1311 -7.0713 -7.0713 -6.2920 -6.2920 -6.2656 -6.2656 -6.2071 -6.2071 -6.1961 -6.1961 -4.9265 -4.9265 -4.7221 -4.7221 -4.1963 -4.1963 -4.0890 -4.0890 -3.9287 -3.9287 -2.2327 -2.2327 0.2453 0.2453 0.6185 0.6185 0.7439 0.7439 0.7616 0.7616 1.2395 1.2395 1.2952 1.2952 1.6731 1.6731 1.7605 1.7605 1.8040 1.8040 2.0104 2.0104 2.1654 2.1654 8.4880 8.4880 8.6150 8.6150 8.9907 8.9907 9.0327 9.0327 9.6854 9.6854 9.8279 9.8279 k = 0.2727 0.1242 1.1949 ( 7728 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0964 -11.0964 -11.0916 -11.0916 -10.6144 -10.6144 -10.5222 -10.5222 -7.1311 -7.1311 -7.0713 -7.0713 -6.2921 -6.2921 -6.2655 -6.2655 -6.2073 -6.2073 -6.1959 -6.1959 -4.9264 -4.9264 -4.7220 -4.7220 -4.1963 -4.1963 -4.0889 -4.0889 -3.9287 -3.9287 -2.2326 -2.2326 0.2461 0.2461 0.6171 0.6171 0.7441 0.7441 0.7619 0.7619 1.2371 1.2371 1.2982 1.2982 1.6728 1.6728 1.7568 1.7568 1.8071 1.8071 2.0105 2.0105 2.1649 2.1649 8.4801 8.4801 8.6247 8.6247 8.9817 8.9817 9.0417 9.0417 9.6858 9.6858 9.8057 9.8057 k = 0.2955 0.1346 1.1835 ( 7731 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0965 -11.0965 -11.0918 -11.0918 -10.6144 -10.6144 -10.5222 -10.5222 -7.1311 -7.1311 -7.0712 -7.0712 -6.2924 -6.2924 -6.2651 -6.2651 -6.2079 -6.2079 -6.1952 -6.1952 -4.9261 -4.9261 -4.7219 -4.7219 -4.1961 -4.1961 -4.0888 -4.0888 -3.9287 -3.9287 -2.2320 -2.2320 0.2486 0.2486 0.6131 0.6131 0.7445 0.7445 0.7626 0.7626 1.2309 1.2309 1.3057 1.3057 1.6717 1.6717 1.7479 1.7479 1.8144 1.8144 2.0109 2.0109 2.1633 2.1633 8.4627 8.4627 8.6466 8.6466 8.9632 8.9632 9.0609 9.0609 9.6851 9.6851 9.7711 9.7711 k = 0.3182 0.1449 1.1721 ( 7728 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0968 -11.0968 -11.0919 -11.0919 -10.6142 -10.6142 -10.5222 -10.5222 -7.1312 -7.1312 -7.0711 -7.0711 -6.2929 -6.2929 -6.2645 -6.2645 -6.2088 -6.2088 -6.1942 -6.1942 -4.9255 -4.9255 -4.7216 -4.7216 -4.1959 -4.1959 -4.0885 -4.0885 -3.9286 -3.9286 -2.2312 -2.2312 0.2527 0.2527 0.6068 0.6068 0.7450 0.7450 0.7636 0.7636 1.2231 1.2231 1.3156 1.3156 1.6699 1.6699 1.7367 1.7367 1.8229 1.8229 2.0116 2.0116 2.1607 2.1607 8.4434 8.4434 8.6716 8.6716 8.9422 8.9422 9.0840 9.0840 9.6768 9.6768 9.7464 9.7464 k = 0.3409 0.1553 1.1608 ( 7722 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0972 -11.0972 -11.0921 -11.0921 -10.6141 -10.6141 -10.5223 -10.5223 -7.1312 -7.1312 -7.0710 -7.0710 -6.2934 -6.2934 -6.2637 -6.2637 -6.2097 -6.2097 -6.1930 -6.1930 -4.9248 -4.9248 -4.7212 -4.7212 -4.1956 -4.1956 -4.0882 -4.0882 -3.9285 -3.9285 -2.2299 -2.2299 0.2581 0.2581 0.5987 0.5987 0.7457 0.7457 0.7648 0.7648 1.2150 1.2150 1.3265 1.3265 1.6672 1.6672 1.7251 1.7251 1.8312 1.8312 2.0124 2.0124 2.1570 2.1570 8.4257 8.4257 8.6942 8.6942 8.9206 8.9206 9.1102 9.1102 9.6546 9.6546 9.7410 9.7410 k = 0.3636 0.1656 1.1494 ( 7710 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0978 -11.0978 -11.0923 -11.0923 -10.6138 -10.6138 -10.5224 -10.5224 -7.1312 -7.1312 -7.0708 -7.0708 -6.2939 -6.2939 -6.2628 -6.2628 -6.2107 -6.2107 -6.1918 -6.1918 -4.9237 -4.9237 -4.7206 -4.7206 -4.1952 -4.1952 -4.0877 -4.0877 -3.9283 -3.9283 -2.2283 -2.2283 0.2645 0.2645 0.5893 0.5893 0.7464 0.7464 0.7660 0.7660 1.2071 1.2071 1.3374 1.3374 1.6636 1.6636 1.7139 1.7139 1.8389 1.8389 2.0134 2.0134 2.1523 2.1523 8.4111 8.4111 8.7105 8.7105 8.8993 8.8993 9.1403 9.1403 9.6256 9.6256 9.7489 9.7489 k = 0.3864 0.1760 1.1380 ( 7710 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0987 -11.0987 -11.0924 -11.0924 -10.6135 -10.6135 -10.5225 -10.5225 -7.1311 -7.1311 -7.0706 -7.0706 -6.2944 -6.2944 -6.2619 -6.2619 -6.2116 -6.2116 -6.1907 -6.1907 -4.9225 -4.9225 -4.7200 -4.7200 -4.1947 -4.1947 -4.0872 -4.0872 -3.9282 -3.9282 -2.2263 -2.2263 0.2716 0.2716 0.5791 0.5791 0.7470 0.7470 0.7672 0.7672 1.1999 1.1999 1.3475 1.3475 1.6592 1.6592 1.7038 1.7038 1.8456 1.8456 2.0144 2.0144 2.1465 2.1465 8.4003 8.4003 8.7180 8.7180 8.8787 8.8787 9.1753 9.1753 9.5968 9.5968 9.7632 9.7632 k = 0.4091 0.1863 1.1266 ( 7706 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0998 -11.0998 -11.0923 -11.0923 -10.6131 -10.6131 -10.5226 -10.5226 -7.1311 -7.1311 -7.0705 -7.0705 -6.2948 -6.2948 -6.2610 -6.2610 -6.2124 -6.2124 -6.1897 -6.1897 -4.9211 -4.9211 -4.7192 -4.7192 -4.1941 -4.1941 -4.0866 -4.0866 -3.9280 -3.9280 -2.2238 -2.2238 0.2789 0.2789 0.5686 0.5686 0.7477 0.7477 0.7684 0.7684 1.1936 1.1936 1.3564 1.3564 1.6540 1.6540 1.6952 1.6952 1.8510 1.8510 2.0152 2.0152 2.1397 2.1397 8.3935 8.3935 8.7153 8.7153 8.8589 8.8589 9.2161 9.2161 9.5702 9.5702 9.7812 9.7812 k = 0.4318 0.1967 1.1153 ( 7706 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.1012 -11.1012 -11.0923 -11.0923 -10.6127 -10.6127 -10.5227 -10.5227 -7.1309 -7.1309 -7.0704 -7.0704 -6.2949 -6.2949 -6.2602 -6.2602 -6.2130 -6.2130 -6.1889 -6.1889 -4.9194 -4.9194 -4.7183 -4.7183 -4.1934 -4.1934 -4.0859 -4.0859 -3.9278 -3.9278 -2.2208 -2.2208 0.2859 0.2859 0.5583 0.5583 0.7485 0.7485 0.7696 0.7696 1.1884 1.1884 1.3633 1.3633 1.6487 1.6487 1.6881 1.6881 1.8552 1.8552 2.0159 2.0159 2.1319 2.1319 8.3910 8.3910 8.7025 8.7025 8.8401 8.8401 9.2623 9.2623 9.5465 9.5465 9.8009 9.8009 k = 0.4545 0.2070 1.1039 ( 7705 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.1028 -11.1028 -11.0921 -11.0921 -10.6122 -10.6122 -10.5229 -10.5229 -7.1307 -7.1307 -7.0703 -7.0703 -6.2949 -6.2949 -6.2595 -6.2595 -6.2135 -6.2135 -6.1883 -6.1883 -4.9175 -4.9175 -4.7173 -4.7173 -4.1926 -4.1926 -4.0851 -4.0851 -3.9275 -3.9275 -2.2175 -2.2175 0.2920 0.2920 0.5490 0.5490 0.7494 0.7494 0.7707 0.7707 1.1842 1.1842 1.3679 1.3679 1.6438 1.6438 1.6826 1.6826 1.8579 1.8579 2.0161 2.0161 2.1232 2.1232 8.3926 8.3926 8.6809 8.6809 8.8227 8.8227 9.3122 9.3122 9.5264 9.5264 9.8201 9.8201 k = 0.4773 0.2174 1.0925 ( 7701 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.1047 -11.1047 -11.0919 -11.0919 -10.6117 -10.6117 -10.5231 -10.5231 -7.1304 -7.1304 -7.0702 -7.0702 -6.2946 -6.2946 -6.2588 -6.2588 -6.2138 -6.2138 -6.1879 -6.1879 -4.9154 -4.9154 -4.7162 -4.7162 -4.1917 -4.1917 -4.0842 -4.0842 -3.9273 -3.9273 -2.2136 -2.2136 0.2965 0.2965 0.5410 0.5410 0.7505 0.7505 0.7718 0.7718 1.1812 1.1812 1.3696 1.3696 1.6397 1.6397 1.6784 1.6784 1.8592 1.8592 2.0160 2.0160 2.1136 2.1136 8.3983 8.3983 8.6521 8.6521 8.8070 8.8070 9.3612 9.3612 9.5130 9.5130 9.8368 9.8368 k = 0.5000 0.2277 1.0811 ( 7684 PWs) bands (ev): -22.3876 -22.3876 -22.3847 -22.3847 -11.1068 -11.1068 -11.0916 -11.0916 -10.6111 -10.6111 -10.5233 -10.5233 -7.1300 -7.1300 -7.0702 -7.0702 -6.2942 -6.2942 -6.2583 -6.2583 -6.2138 -6.2138 -6.1877 -6.1877 -4.9131 -4.9131 -4.7149 -4.7149 -4.1907 -4.1907 -4.0832 -4.0832 -3.9269 -3.9269 -2.2093 -2.2093 0.2991 0.2991 0.5349 0.5349 0.7520 0.7520 0.7730 0.7730 1.1794 1.1794 1.3685 1.3685 1.6365 1.6365 1.6758 1.6758 1.8590 1.8590 2.0153 2.0153 2.1033 2.1033 8.4072 8.4072 8.6185 8.6185 8.7933 8.7933 9.3971 9.3971 9.5169 9.5169 9.8491 9.8491 k = 0.5000 0.2277 1.0811 ( 7684 PWs) bands (ev): -22.3876 -22.3876 -22.3847 -22.3847 -11.1068 -11.1068 -11.0916 -11.0916 -10.6111 -10.6111 -10.5233 -10.5233 -7.1300 -7.1300 -7.0702 -7.0702 -6.2942 -6.2942 -6.2583 -6.2583 -6.2138 -6.2138 -6.1877 -6.1877 -4.9131 -4.9131 -4.7149 -4.7149 -4.1907 -4.1907 -4.0832 -4.0832 -3.9269 -3.9269 -2.2093 -2.2093 0.2991 0.2991 0.5349 0.5349 0.7520 0.7520 0.7730 0.7730 1.1794 1.1794 1.3685 1.3685 1.6365 1.6365 1.6758 1.6758 1.8590 1.8590 2.0153 2.0153 2.1033 2.1033 8.4072 8.4072 8.6185 8.6185 8.7933 8.7933 9.3971 9.3971 9.5169 9.5169 9.8491 9.8491 k = 0.5000 0.2277 1.0534 ( 7688 PWs) bands (ev): -22.3876 -22.3876 -22.3847 -22.3847 -11.1126 -11.1126 -11.0907 -11.0907 -10.6095 -10.6095 -10.5239 -10.5239 -7.1288 -7.1288 -7.0704 -7.0704 -6.2926 -6.2926 -6.2571 -6.2571 -6.2138 -6.2138 -6.1876 -6.1876 -4.9065 -4.9065 -4.7114 -4.7114 -4.1879 -4.1879 -4.0806 -4.0806 -3.9262 -3.9262 -2.1969 -2.1969 0.3031 0.3031 0.5216 0.5216 0.7563 0.7563 0.7760 0.7760 1.1757 1.1757 1.3618 1.3618 1.6271 1.6271 1.6723 1.6723 1.8565 1.8565 2.0125 2.0125 2.0752 2.0752 8.4218 8.4218 8.5438 8.5438 8.7622 8.7622 9.4499 9.4499 9.5654 9.5654 9.8758 9.8758 k = 0.5000 0.2277 1.0257 ( 7690 PWs) bands (ev): -22.3876 -22.3876 -22.3848 -22.3848 -11.1196 -11.1196 -11.0896 -11.0896 -10.6077 -10.6077 -10.5246 -10.5246 -7.1274 -7.1274 -7.0705 -7.0705 -6.2907 -6.2907 -6.2556 -6.2556 -6.2137 -6.2137 -6.1875 -6.1875 -4.8987 -4.8987 -4.7073 -4.7073 -4.1846 -4.1846 -4.0774 -4.0774 -3.9253 -3.9253 -2.1821 -2.1821 0.3079 0.3079 0.5066 0.5066 0.7607 0.7607 0.7798 0.7798 1.1709 1.1709 1.3539 1.3539 1.6132 1.6132 1.6703 1.6703 1.8534 1.8534 2.0088 2.0088 2.0436 2.0436 8.3748 8.3748 8.5328 8.5328 8.7308 8.7308 9.4977 9.4977 9.6185 9.6185 9.9074 9.9074 k = 0.5000 0.2277 0.9980 ( 7700 PWs) bands (ev): -22.3877 -22.3877 -22.3848 -22.3848 -11.1276 -11.1276 -11.0882 -11.0882 -10.6057 -10.6057 -10.5255 -10.5255 -7.1258 -7.1258 -7.0707 -7.0707 -6.2886 -6.2886 -6.2539 -6.2539 -6.2137 -6.2137 -6.1873 -6.1873 -4.8897 -4.8897 -4.7026 -4.7026 -4.1806 -4.1806 -4.0737 -4.0737 -3.9242 -3.9242 -2.1648 -2.1648 0.3135 0.3135 0.4904 0.4904 0.7650 0.7650 0.7841 0.7841 1.1644 1.1644 1.3452 1.3452 1.5949 1.5949 1.6695 1.6695 1.8497 1.8497 2.0016 2.0016 2.0124 2.0124 8.2825 8.2825 8.5691 8.5691 8.7000 8.7000 9.5400 9.5400 9.6752 9.6752 9.9438 9.9438 k = 0.5000 0.2277 0.9702 ( 7700 PWs) bands (ev): -22.3877 -22.3877 -22.3849 -22.3849 -11.1364 -11.1364 -11.0867 -11.0867 -10.6035 -10.6035 -10.5263 -10.5263 -7.1240 -7.1240 -7.0709 -7.0709 -6.2863 -6.2863 -6.2519 -6.2519 -6.2137 -6.2137 -6.1871 -6.1871 -4.8795 -4.8795 -4.6975 -4.6975 -4.1760 -4.1760 -4.0696 -4.0696 -3.9230 -3.9230 -2.1451 -2.1451 0.3198 0.3198 0.4732 0.4732 0.7693 0.7693 0.7888 0.7888 1.1557 1.1557 1.3356 1.3356 1.5727 1.5727 1.6694 1.6694 1.8455 1.8455 1.9717 1.9717 2.0016 2.0016 8.1798 8.1798 8.6136 8.6136 8.6742 8.6742 9.5766 9.5766 9.7343 9.7343 9.9847 9.9847 k = 0.5000 0.2277 0.9425 ( 7720 PWs) bands (ev): -22.3877 -22.3877 -22.3850 -22.3850 -11.1461 -11.1461 -11.0850 -11.0850 -10.6011 -10.6011 -10.5273 -10.5273 -7.1221 -7.1221 -7.0711 -7.0711 -6.2839 -6.2839 -6.2498 -6.2498 -6.2138 -6.2138 -6.1870 -6.1870 -4.8683 -4.8683 -4.6919 -4.6919 -4.1708 -4.1708 -4.0650 -4.0650 -3.9217 -3.9217 -2.1228 -2.1228 0.3269 0.3269 0.4552 0.4552 0.7738 0.7738 0.7940 0.7940 1.1443 1.1443 1.3254 1.3254 1.5470 1.5470 1.6698 1.6698 1.8406 1.8406 1.9363 1.9363 1.9954 1.9954 8.0736 8.0736 8.6219 8.6219 8.6908 8.6908 9.6073 9.6073 9.7952 9.7952 10.0301 10.0301 k = 0.5000 0.2277 0.9148 ( 7720 PWs) bands (ev): -22.3877 -22.3877 -22.3850 -22.3850 -11.1566 -11.1566 -11.0831 -11.0831 -10.5987 -10.5987 -10.5283 -10.5283 -7.1200 -7.1200 -7.0714 -7.0714 -6.2813 -6.2813 -6.2474 -6.2474 -6.2139 -6.2139 -6.1868 -6.1868 -4.8560 -4.8560 -4.6860 -4.6860 -4.1649 -4.1649 -4.0599 -4.0599 -3.9202 -3.9202 -2.0981 -2.0981 0.3345 0.3345 0.4366 0.4366 0.7784 0.7784 0.7994 0.7994 1.1289 1.1289 1.3146 1.3146 1.5189 1.5189 1.6703 1.6703 1.8348 1.8348 1.9016 1.9016 1.9886 1.9886 7.9659 7.9659 8.5954 8.5954 8.7462 8.7462 9.6317 9.6317 9.8568 9.8568 10.0800 10.0800 k = 0.5000 0.2277 0.8871 ( 7716 PWs) bands (ev): -22.3877 -22.3877 -22.3851 -22.3851 -11.1677 -11.1677 -11.0811 -11.0811 -10.5962 -10.5962 -10.5294 -10.5294 -7.1178 -7.1178 -7.0717 -7.0717 -6.2786 -6.2786 -6.2449 -6.2449 -6.2140 -6.2140 -6.1867 -6.1867 -4.8427 -4.8427 -4.6796 -4.6796 -4.1583 -4.1583 -4.0545 -4.0545 -3.9185 -3.9185 -2.0710 -2.0710 0.3427 0.3427 0.4179 0.4179 0.7833 0.7833 0.8052 0.8052 1.1085 1.1085 1.3033 1.3033 1.4894 1.4894 1.6707 1.6707 1.8273 1.8273 1.8696 1.8696 1.9809 1.9809 7.8574 7.8574 8.5653 8.5653 8.8079 8.8079 9.6493 9.6493 9.9185 9.9185 10.1342 10.1342 k = 0.5000 0.2277 0.8594 ( 7722 PWs) bands (ev): -22.3878 -22.3878 -22.3852 -22.3852 -11.1793 -11.1793 -11.0790 -11.0790 -10.5936 -10.5936 -10.5306 -10.5306 -7.1155 -7.1155 -7.0720 -7.0720 -6.2758 -6.2758 -6.2423 -6.2423 -6.2141 -6.2141 -6.1865 -6.1865 -4.8285 -4.8285 -4.6731 -4.6731 -4.1511 -4.1511 -4.0487 -4.0487 -3.9168 -3.9168 -2.0414 -2.0414 0.3507 0.3507 0.3996 0.3996 0.7884 0.7884 0.8113 0.8113 1.0817 1.0817 1.2917 1.2917 1.4602 1.4602 1.6708 1.6708 1.8157 1.8157 1.8434 1.8434 1.9722 1.9722 7.7489 7.7489 8.5349 8.5349 8.8714 8.8714 9.6599 9.6599 9.9792 9.9792 10.1757 10.1757 k = 0.5000 0.2277 0.8316 ( 7730 PWs) bands (ev): -22.3878 -22.3878 -22.3853 -22.3853 -11.1915 -11.1915 -11.0767 -11.0767 -10.5911 -10.5911 -10.5317 -10.5317 -7.1132 -7.1132 -7.0724 -7.0724 -6.2730 -6.2730 -6.2396 -6.2396 -6.2142 -6.2142 -6.1865 -6.1865 -4.8136 -4.8136 -4.6664 -4.6664 -4.1431 -4.1431 -4.0425 -4.0425 -3.9149 -3.9149 -2.0094 -2.0094 0.3557 0.3557 0.3849 0.3849 0.7938 0.7938 0.8177 0.8177 1.0470 1.0470 1.2800 1.2800 1.4330 1.4330 1.6705 1.6705 1.7958 1.7958 1.8274 1.8274 1.9625 1.9625 7.6408 7.6408 8.5046 8.5046 8.9351 8.9351 9.6630 9.6630 10.0381 10.0381 10.1514 10.1514 k = 0.5000 0.2277 0.8039 ( 7746 PWs) bands (ev): -22.3878 -22.3878 -22.3854 -22.3854 -11.2040 -11.2040 -11.0742 -11.0742 -10.5885 -10.5885 -10.5329 -10.5329 -7.1108 -7.1108 -7.0728 -7.0728 -6.2701 -6.2701 -6.2368 -6.2368 -6.2142 -6.2142 -6.1865 -6.1865 -4.7979 -4.7979 -4.6595 -4.6595 -4.1343 -4.1343 -4.0361 -4.0361 -3.9130 -3.9130 -1.9751 -1.9751 0.3484 0.3484 0.3830 0.3830 0.7995 0.7995 0.8244 0.8244 1.0038 1.0038 1.2685 1.2685 1.4090 1.4090 1.6694 1.6694 1.7721 1.7721 1.8175 1.8175 1.9516 1.9516 7.5333 7.5333 8.4745 8.4745 8.9976 8.9976 9.6583 9.6583 10.0907 10.0907 10.1236 10.1236 k = 0.5000 0.2277 0.7762 ( 7752 PWs) bands (ev): -22.3879 -22.3879 -22.3856 -22.3856 -11.2169 -11.2169 -11.0717 -11.0717 -10.5859 -10.5859 -10.5340 -10.5340 -7.1083 -7.1083 -7.0733 -7.0733 -6.2672 -6.2672 -6.2342 -6.2342 -6.2142 -6.2142 -6.1866 -6.1866 -4.7816 -4.7816 -4.6525 -4.6525 -4.1247 -4.1247 -4.0294 -4.0294 -3.9109 -3.9109 -1.9384 -1.9384 0.3315 0.3315 0.3915 0.3915 0.8053 0.8053 0.8317 0.8317 0.9522 0.9522 1.2574 1.2574 1.3889 1.3889 1.6673 1.6673 1.7493 1.7493 1.8090 1.8090 1.9397 1.9397 7.4270 7.4270 8.4446 8.4446 9.0575 9.0575 9.6456 9.6456 10.0771 10.0771 10.1550 10.1550 k = 0.5000 0.2277 0.7485 ( 7754 PWs) bands (ev): -22.3879 -22.3879 -22.3857 -22.3857 -11.2300 -11.2300 -11.0691 -11.0691 -10.5834 -10.5834 -10.5352 -10.5352 -7.1059 -7.1059 -7.0738 -7.0738 -6.2643 -6.2643 -6.2317 -6.2317 -6.2140 -6.2140 -6.1868 -6.1868 -4.7648 -4.7648 -4.6455 -4.6455 -4.1143 -4.1143 -4.0224 -4.0224 -3.9088 -3.9088 -1.8994 -1.8994 0.3124 0.3124 0.4027 0.4027 0.8106 0.8106 0.8394 0.8394 0.8937 0.8937 1.2470 1.2470 1.3723 1.3723 1.6634 1.6634 1.7292 1.7292 1.8007 1.8007 1.9266 1.9266 7.3220 7.3220 8.4147 8.4147 9.1132 9.1132 9.6247 9.6247 10.0382 10.0382 10.1399 10.1399 k = 0.5000 0.2277 0.7208 ( 7770 PWs) bands (ev): -22.3879 -22.3879 -22.3858 -22.3858 -11.2433 -11.2433 -11.0664 -11.0664 -10.5809 -10.5809 -10.5364 -10.5364 -7.1035 -7.1035 -7.0744 -7.0744 -6.2614 -6.2614 -6.2296 -6.2296 -6.2135 -6.2135 -6.1871 -6.1871 -4.7476 -4.7476 -4.6386 -4.6386 -4.1030 -4.1030 -4.0153 -4.0153 -3.9066 -3.9066 -1.8583 -1.8583 0.2929 0.2929 0.4152 0.4152 0.8054 0.8054 0.8392 0.8392 0.8481 0.8481 1.2373 1.2373 1.3588 1.3588 1.6571 1.6571 1.7127 1.7127 1.7922 1.7922 1.9123 1.9123 7.2187 7.2187 8.3849 8.3849 9.1628 9.1628 9.5957 9.5957 9.9988 9.9988 10.0751 10.0751 k = 0.5000 0.2277 0.6930 ( 7774 PWs) bands (ev): -22.3879 -22.3879 -22.3859 -22.3859 -11.2566 -11.2566 -11.0636 -11.0636 -10.5785 -10.5785 -10.5375 -10.5375 -7.1011 -7.1011 -7.0750 -7.0750 -6.2586 -6.2586 -6.2278 -6.2278 -6.2127 -6.2127 -6.1875 -6.1875 -4.7300 -4.7300 -4.6317 -4.6317 -4.0908 -4.0908 -4.0081 -4.0081 -3.9043 -3.9043 -1.8150 -1.8150 0.2734 0.2734 0.4285 0.4285 0.7478 0.7478 0.8330 0.8330 0.8568 0.8568 1.2286 1.2286 1.3474 1.3474 1.6478 1.6478 1.7003 1.7003 1.7835 1.7835 1.8970 1.8970 7.1174 7.1174 8.3549 8.3549 9.2041 9.2041 9.5589 9.5589 9.9630 9.9630 10.0131 10.0131 k = 0.5000 0.2277 0.6653 ( 7764 PWs) bands (ev): -22.3880 -22.3880 -22.3860 -22.3860 -11.2700 -11.2700 -11.0608 -11.0608 -10.5761 -10.5761 -10.5386 -10.5386 -7.0988 -7.0988 -7.0756 -7.0756 -6.2558 -6.2558 -6.2266 -6.2266 -6.2114 -6.2114 -6.1881 -6.1881 -4.7123 -4.7123 -4.6248 -4.6248 -4.0775 -4.0775 -4.0007 -4.0007 -3.9018 -3.9018 -1.7696 -1.7696 0.2541 0.2541 0.4423 0.4423 0.6736 0.6736 0.8396 0.8396 0.8664 0.8664 1.2207 1.2207 1.3376 1.3376 1.6359 1.6359 1.6913 1.6913 1.7745 1.7745 1.8806 1.8806 7.0182 7.0182 8.3248 8.3248 9.2342 9.2342 9.5146 9.5146 9.9338 9.9338 9.9549 9.9549 k = 0.5000 0.2277 0.6376 ( 7760 PWs) bands (ev): -22.3880 -22.3880 -22.3862 -22.3862 -11.2834 -11.2834 -11.0579 -11.0579 -10.5738 -10.5738 -10.5396 -10.5396 -7.0966 -7.0966 -7.0761 -7.0761 -6.2531 -6.2531 -6.2259 -6.2259 -6.2098 -6.2098 -6.1887 -6.1887 -4.6946 -4.6946 -4.6181 -4.6181 -4.0633 -4.0633 -3.9933 -3.9933 -3.8994 -3.8994 -1.7224 -1.7224 0.2351 0.2351 0.4566 0.4566 0.5954 0.5954 0.8478 0.8478 0.8769 0.8769 1.2136 1.2136 1.3288 1.3288 1.6227 1.6227 1.6846 1.6846 1.7652 1.7652 1.8631 1.8631 6.9214 6.9214 8.2943 8.2943 9.2506 9.2506 9.4637 9.4637 9.8958 9.8958 9.9195 9.9195 k = 0.5000 0.2277 0.6099 ( 7780 PWs) bands (ev): -22.3881 -22.3881 -22.3863 -22.3863 -11.2966 -11.2966 -11.0550 -11.0550 -10.5716 -10.5716 -10.5406 -10.5406 -7.0946 -7.0946 -7.0767 -7.0767 -6.2505 -6.2505 -6.2256 -6.2256 -6.2079 -6.2079 -6.1894 -6.1894 -4.6771 -4.6771 -4.6116 -4.6116 -4.0482 -4.0482 -3.9860 -3.9860 -3.8970 -3.8970 -1.6733 -1.6733 0.2164 0.2164 0.4713 0.4713 0.5150 0.5150 0.8568 0.8568 0.8881 0.8881 1.2073 1.2073 1.3205 1.3205 1.6095 1.6095 1.6787 1.6787 1.7558 1.7558 1.8448 1.8448 6.8272 6.8272 8.2635 8.2635 9.2518 9.2518 9.4072 9.4072 9.8436 9.8436 9.9145 9.9145 k = 0.5000 0.2277 0.5821 ( 7780 PWs) bands (ev): -22.3881 -22.3881 -22.3864 -22.3864 -11.3097 -11.3097 -11.0522 -11.0522 -10.5694 -10.5694 -10.5415 -10.5415 -7.0929 -7.0929 -7.0771 -7.0771 -6.2480 -6.2480 -6.2256 -6.2256 -6.2058 -6.2058 -6.1902 -6.1902 -4.6597 -4.6597 -4.6053 -4.6053 -4.0320 -4.0320 -3.9786 -3.9786 -3.8945 -3.8945 -1.6226 -1.6226 0.1982 0.1982 0.4334 0.4334 0.4861 0.4861 0.8663 0.8663 0.9001 0.9001 1.2017 1.2017 1.3124 1.3124 1.5969 1.5969 1.6731 1.6731 1.7461 1.7461 1.8257 1.8257 6.7359 6.7359 8.2323 8.2323 9.2379 9.2379 9.3463 9.3463 9.7932 9.7932 9.9239 9.9239 k = 0.5000 0.2277 0.5544 ( 7774 PWs) bands (ev): -22.3881 -22.3881 -22.3866 -22.3866 -11.3226 -11.3226 -11.0493 -11.0493 -10.5673 -10.5673 -10.5424 -10.5424 -7.0914 -7.0914 -7.0773 -7.0773 -6.2456 -6.2456 -6.2257 -6.2257 -6.2038 -6.2038 -6.1911 -6.1911 -4.6427 -4.6427 -4.5991 -4.5991 -4.0148 -4.0148 -3.9713 -3.9713 -3.8920 -3.8920 -1.5704 -1.5704 0.1804 0.1804 0.3515 0.3515 0.5010 0.5010 0.8762 0.8762 0.9131 0.9131 1.1968 1.1968 1.3042 1.3042 1.5853 1.5853 1.6671 1.6671 1.7363 1.7363 1.8060 1.8060 6.6475 6.6475 8.2007 8.2007 9.2112 9.2112 9.2820 9.2820 9.7448 9.7448 9.9454 9.9454 k = 0.5000 0.2277 0.5267 ( 7760 PWs) bands (ev): -22.3882 -22.3882 -22.3867 -22.3867 -11.3352 -11.3352 -11.0464 -11.0464 -10.5653 -10.5653 -10.5432 -10.5432 -7.0903 -7.0903 -7.0773 -7.0773 -6.2434 -6.2434 -6.2260 -6.2260 -6.2018 -6.2018 -6.1921 -6.1921 -4.6262 -4.6262 -4.5931 -4.5931 -3.9967 -3.9967 -3.9641 -3.9641 -3.8894 -3.8894 -1.5168 -1.5168 0.1629 0.1629 0.2700 0.2700 0.5157 0.5157 0.8865 0.8865 0.9270 0.9270 1.1923 1.1923 1.2959 1.2959 1.5749 1.5749 1.6607 1.6607 1.7263 1.7263 1.7858 1.7858 6.5624 6.5624 8.1687 8.1687 9.1748 9.1748 9.2155 9.2155 9.6982 9.6982 9.9762 9.9762 k = 0.5000 0.2277 0.4990 ( 7754 PWs) bands (ev): -22.3882 -22.3882 -22.3868 -22.3868 -11.3474 -11.3474 -11.0436 -11.0436 -10.5634 -10.5634 -10.5440 -10.5440 -7.0897 -7.0897 -7.0770 -7.0770 -6.2415 -6.2415 -6.2263 -6.2263 -6.1999 -6.1999 -6.1930 -6.1930 -4.6103 -4.6103 -4.5873 -4.5873 -3.9777 -3.9777 -3.9570 -3.9570 -3.8869 -3.8869 -1.4622 -1.4622 0.1441 0.1441 0.1911 0.1911 0.5301 0.5301 0.8970 0.8970 0.9417 0.9417 1.1883 1.1883 1.2873 1.2873 1.5657 1.5657 1.6536 1.6536 1.7164 1.7164 1.7655 1.7655 6.4805 6.4805 8.1364 8.1364 9.1318 9.1318 9.1478 9.1478 9.6530 9.6530 10.0136 10.0136 k = 0.5000 0.2277 0.4713 ( 7762 PWs) bands (ev): -22.3882 -22.3882 -22.3869 -22.3869 -11.3593 -11.3593 -11.0408 -11.0408 -10.5615 -10.5615 -10.5446 -10.5446 -7.0896 -7.0896 -7.0764 -7.0764 -6.2398 -6.2398 -6.2266 -6.2266 -6.1982 -6.1982 -6.1939 -6.1939 -4.5953 -4.5953 -4.5816 -4.5816 -3.9582 -3.9582 -3.9500 -3.9500 -3.8843 -3.8843 -1.4066 -1.4066 0.1008 0.1008 0.1385 0.1385 0.5440 0.5440 0.9077 0.9077 0.9573 0.9573 1.1846 1.1846 1.2784 1.2784 1.5577 1.5577 1.6458 1.6458 1.7063 1.7063 1.7452 1.7452 6.4022 6.4022 8.1038 8.1038 9.0787 9.0787 9.0860 9.0860 9.6093 9.6093 10.0553 10.0553 k = 0.5000 0.2277 0.4435 ( 7778 PWs) bands (ev): -22.3883 -22.3883 -22.3871 -22.3871 -11.3707 -11.3707 -11.0381 -11.0381 -10.5597 -10.5597 -10.5453 -10.5453 -7.0898 -7.0898 -7.0755 -7.0755 -6.2384 -6.2384 -6.2270 -6.2270 -6.1967 -6.1967 -6.1947 -6.1947 -4.5820 -4.5820 -4.5753 -4.5753 -3.9446 -3.9446 -3.9367 -3.9367 -3.8818 -3.8818 -1.3504 -1.3504 0.0258 0.0258 0.1200 0.1200 0.5572 0.5572 0.9186 0.9186 0.9736 0.9736 1.1810 1.1810 1.2694 1.2694 1.5509 1.5509 1.6373 1.6373 1.6962 1.6962 1.7255 1.7255 6.3275 6.3275 8.0712 8.0712 9.0113 9.0113 9.0367 9.0367 9.5669 9.5669 10.0996 10.0996 k = 0.5000 0.2277 0.4158 ( 7770 PWs) bands (ev): -22.3883 -22.3883 -22.3872 -22.3872 -11.3817 -11.3817 -11.0355 -11.0355 -10.5581 -10.5581 -10.5458 -10.5458 -7.0903 -7.0903 -7.0744 -7.0744 -6.2372 -6.2372 -6.2273 -6.2273 -6.1956 -6.1956 -6.1951 -6.1951 -4.5736 -4.5736 -4.5649 -4.5649 -3.9379 -3.9379 -3.9161 -3.9161 -3.8790 -3.8790 -1.2938 -1.2938 -0.0501 -0.0501 0.1052 0.1052 0.5693 0.5693 0.9296 0.9296 0.9907 0.9907 1.1774 1.1774 1.2603 1.2603 1.5450 1.5450 1.6280 1.6280 1.6858 1.6858 1.7068 1.7068 6.2567 6.2567 8.0385 8.0385 8.9446 8.9446 8.9874 8.9874 9.5259 9.5259 10.1452 10.1452 k = 0.5000 0.2277 0.3881 ( 7762 PWs) bands (ev): -22.3883 -22.3883 -22.3873 -22.3873 -11.3921 -11.3921 -11.0329 -11.0329 -10.5564 -10.5564 -10.5463 -10.5463 -7.0910 -7.0910 -7.0734 -7.0734 -6.2364 -6.2364 -6.2277 -6.2277 -6.1960 -6.1960 -6.1941 -6.1941 -4.5684 -4.5684 -4.5526 -4.5526 -3.9318 -3.9318 -3.8958 -3.8958 -3.8754 -3.8754 -1.2371 -1.2371 -0.1240 -0.1240 0.0917 0.0917 0.5802 0.5802 0.9407 0.9407 1.0082 1.0082 1.1737 1.1737 1.2512 1.2512 1.5399 1.5399 1.6182 1.6182 1.6748 1.6748 1.6898 1.6898 6.1897 6.1897 8.0061 8.0061 8.8794 8.8794 8.9386 8.9386 9.4862 9.4862 10.1913 10.1913 k = 0.5000 0.2277 0.3604 ( 7756 PWs) bands (ev): -22.3884 -22.3884 -22.3874 -22.3874 -11.4020 -11.4020 -11.0305 -11.0305 -10.5549 -10.5549 -10.5467 -10.5467 -7.0918 -7.0918 -7.0723 -7.0723 -6.2359 -6.2359 -6.2281 -6.2281 -6.1963 -6.1963 -6.1930 -6.1930 -4.5639 -4.5639 -4.5407 -4.5407 -3.9261 -3.9261 -3.8808 -3.8808 -3.8662 -3.8662 -1.1807 -1.1807 -0.1952 -0.1952 0.0791 0.0791 0.5896 0.5896 0.9517 0.9517 1.0262 1.0262 1.1699 1.1699 1.2424 1.2424 1.5354 1.5354 1.6078 1.6078 1.6625 1.6625 1.6754 1.6754 6.1267 6.1267 7.9742 7.9742 8.8163 8.8163 8.8912 8.8912 9.4482 9.4482 10.2370 10.2370 k = 0.5000 0.2277 0.3327 ( 7764 PWs) bands (ev): -22.3884 -22.3884 -22.3875 -22.3875 -11.4113 -11.4113 -11.0282 -11.0282 -10.5535 -10.5535 -10.5471 -10.5471 -7.0927 -7.0927 -7.0712 -7.0712 -6.2356 -6.2356 -6.2285 -6.2285 -6.1965 -6.1965 -6.1922 -6.1922 -4.5599 -4.5599 -4.5297 -4.5297 -3.9208 -3.9208 -3.8757 -3.8757 -3.8473 -3.8473 -1.1249 -1.1249 -0.2634 -0.2634 0.0675 0.0675 0.5972 0.5972 0.9625 0.9625 1.0444 1.0444 1.1659 1.1659 1.2339 1.2339 1.5313 1.5313 1.5970 1.5970 1.6495 1.6495 1.6635 1.6635 6.0679 6.0679 7.9431 7.9431 8.7559 8.7559 8.8458 8.8458 9.4118 9.4118 10.2818 10.2818 k = 0.5000 0.2277 0.3049 ( 7754 PWs) bands (ev): -22.3884 -22.3884 -22.3876 -22.3876 -11.4200 -11.4200 -11.0261 -11.0261 -10.5522 -10.5522 -10.5474 -10.5474 -7.0936 -7.0936 -7.0702 -7.0702 -6.2354 -6.2354 -6.2291 -6.2291 -6.1965 -6.1965 -6.1914 -6.1914 -4.5561 -4.5561 -4.5195 -4.5195 -3.9158 -3.9158 -3.8730 -3.8730 -3.8261 -3.8261 -1.0702 -1.0702 -0.3279 -0.3279 0.0567 0.0567 0.6029 0.6029 0.9731 0.9731 1.0626 1.0626 1.1618 1.1618 1.2259 1.2259 1.5275 1.5275 1.5861 1.5861 1.6370 1.6370 1.6530 1.6530 6.0134 6.0134 7.9129 7.9129 8.6985 8.6985 8.8027 8.8027 9.3774 9.3774 10.3250 10.3250 k = 0.5000 0.2277 0.2772 ( 7752 PWs) bands (ev): -22.3884 -22.3884 -22.3877 -22.3877 -11.4280 -11.4280 -11.0240 -11.0240 -10.5509 -10.5509 -10.5476 -10.5476 -7.0945 -7.0945 -7.0693 -7.0693 -6.2355 -6.2355 -6.2297 -6.2297 -6.1963 -6.1963 -6.1909 -6.1909 -4.5527 -4.5527 -4.5103 -4.5103 -3.9113 -3.9113 -3.8709 -3.8709 -3.8051 -3.8051 -1.0170 -1.0170 -0.3885 -0.3885 0.0469 0.0469 0.6065 0.6065 0.9834 0.9834 1.0804 1.0804 1.1579 1.1579 1.2186 1.2186 1.5239 1.5239 1.5751 1.5751 1.6260 1.6260 1.6431 1.6431 5.9632 5.9632 7.8840 7.8840 8.6447 8.6447 8.7625 8.7625 9.3451 9.3451 10.3656 10.3657 k = 0.5000 0.2277 0.2495 ( 7760 PWs) bands (ev): -22.3885 -22.3885 -22.3878 -22.3878 -11.4354 -11.4354 -11.0222 -11.0222 -10.5498 -10.5498 -10.5478 -10.5478 -7.0954 -7.0954 -7.0684 -7.0684 -6.2356 -6.2356 -6.2305 -6.2305 -6.1960 -6.1960 -6.1904 -6.1904 -4.5497 -4.5497 -4.5020 -4.5020 -3.9071 -3.9071 -3.8691 -3.8691 -3.7847 -3.7847 -0.9658 -0.9658 -0.4448 -0.4448 0.0380 0.0380 0.6079 0.6079 0.9933 0.9933 1.0973 1.0973 1.1545 1.1545 1.2119 1.2119 1.5204 1.5204 1.5642 1.5642 1.6169 1.6169 1.6337 1.6337 5.9174 5.9174 7.8567 7.8567 8.5947 8.5947 8.7254 8.7254 9.3151 9.3151 10.3562 10.3562 k = 0.5000 0.2277 0.2218 ( 7760 PWs) bands (ev): -22.3885 -22.3885 -22.3878 -22.3878 -11.4420 -11.4420 -11.0205 -11.0205 -10.5488 -10.5488 -10.5480 -10.5480 -7.0963 -7.0963 -7.0677 -7.0677 -6.2357 -6.2357 -6.2313 -6.2313 -6.1955 -6.1955 -6.1900 -6.1900 -4.5469 -4.5469 -4.4946 -4.4946 -3.9033 -3.9033 -3.8675 -3.8675 -3.7653 -3.7653 -0.9173 -0.9173 -0.4964 -0.4964 0.0300 0.0300 0.6072 0.6072 1.0026 1.0026 1.1120 1.1120 1.1529 1.1529 1.2060 1.2060 1.5171 1.5171 1.5535 1.5535 1.6097 1.6097 1.6245 1.6245 5.8762 5.8762 7.8313 7.8313 8.5490 8.5490 8.6916 8.6916 9.2876 9.2876 10.3304 10.3304 k = 0.5000 0.2277 0.1940 ( 7756 PWs) bands (ev): -22.3885 -22.3885 -22.3879 -22.3879 -11.4479 -11.4479 -11.0190 -11.0190 -10.5482 -10.5482 -10.5478 -10.5478 -7.0970 -7.0970 -7.0670 -7.0670 -6.2359 -6.2359 -6.2320 -6.2320 -6.1951 -6.1951 -6.1897 -6.1897 -4.5445 -4.5445 -4.4880 -4.4880 -3.9000 -3.9000 -3.8661 -3.8661 -3.7472 -3.7472 -0.8721 -0.8721 -0.5429 -0.5429 0.0230 0.0230 0.6046 0.6046 1.0113 1.0113 1.1220 1.1220 1.1553 1.1553 1.2009 1.2009 1.5140 1.5140 1.5434 1.5434 1.6041 1.6041 1.6157 1.6157 5.8396 5.8396 7.8080 7.8080 8.5078 8.5078 8.6613 8.6613 9.2628 9.2628 10.3073 10.3073 k = 0.5000 0.2277 0.1663 ( 7736 PWs) bands (ev): -22.3885 -22.3885 -22.3880 -22.3880 -11.4531 -11.4531 -11.0176 -11.0176 -10.5483 -10.5483 -10.5470 -10.5470 -7.0977 -7.0977 -7.0664 -7.0664 -6.2361 -6.2361 -6.2328 -6.2328 -6.1947 -6.1947 -6.1895 -6.1895 -4.5423 -4.5423 -4.4824 -4.4824 -3.8970 -3.8970 -3.8647 -3.8647 -3.7308 -3.7308 -0.8308 -0.8308 -0.5840 -0.5840 0.0169 0.0169 0.6005 0.6005 1.0191 1.0191 1.1256 1.1256 1.1634 1.1634 1.1966 1.1966 1.5111 1.5111 1.5341 1.5341 1.6000 1.6000 1.6075 1.6075 5.8078 5.8078 7.7873 7.7873 8.4715 8.4715 8.6348 8.6348 9.2408 9.2408 10.2871 10.2871 k = 0.5000 0.2277 0.1386 ( 7742 PWs) bands (ev): -22.3885 -22.3885 -22.3880 -22.3880 -11.4575 -11.4575 -11.0165 -11.0165 -10.5484 -10.5484 -10.5463 -10.5463 -7.0984 -7.0984 -7.0660 -7.0660 -6.2363 -6.2363 -6.2334 -6.2334 -6.1942 -6.1942 -6.1893 -6.1893 -4.5405 -4.5405 -4.4777 -4.4777 -3.8945 -3.8945 -3.8637 -3.8637 -3.7163 -3.7163 -0.7942 -0.7942 -0.6192 -0.6192 0.0117 0.0117 0.5954 0.5954 1.0260 1.0260 1.1253 1.1253 1.1745 1.1745 1.1931 1.1931 1.5083 1.5083 1.5260 1.5260 1.5969 1.5969 1.6001 1.6001 5.7807 5.7807 7.7692 7.7692 8.4404 8.4404 8.6122 8.6122 9.2220 9.2220 10.2700 10.2700 k = 0.5000 0.2277 0.1109 ( 7758 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4611 -11.4611 -11.0156 -11.0156 -10.5484 -10.5484 -10.5458 -10.5458 -7.0989 -7.0989 -7.0656 -7.0656 -6.2366 -6.2366 -6.2340 -6.2340 -6.1939 -6.1939 -6.1892 -6.1892 -4.5391 -4.5391 -4.4739 -4.4739 -3.8926 -3.8926 -3.8628 -3.8628 -3.7041 -3.7041 -0.7632 -0.7632 -0.6483 -0.6483 0.0075 0.0075 0.5899 0.5899 1.0318 1.0318 1.1237 1.1237 1.1856 1.1856 1.1904 1.1904 1.5053 1.5053 1.5196 1.5196 1.5929 1.5929 1.5953 1.5953 5.7584 5.7584 7.7541 7.7541 8.4146 8.4146 8.5935 8.5935 9.2064 9.2064 10.2560 10.2560 k = 0.5000 0.2277 0.0832 ( 7762 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4639 -11.4639 -11.0148 -11.0148 -10.5485 -10.5485 -10.5453 -10.5453 -7.0993 -7.0993 -7.0653 -7.0653 -6.2368 -6.2368 -6.2344 -6.2344 -6.1936 -6.1936 -6.1891 -6.1891 -4.5379 -4.5379 -4.4709 -4.4709 -3.8910 -3.8910 -3.8622 -3.8622 -3.6943 -3.6943 -0.7387 -0.7387 -0.6707 -0.6707 0.0042 0.0042 0.5846 0.5846 1.0364 1.0364 1.1221 1.1221 1.1884 1.1884 1.1953 1.1953 1.5020 1.5020 1.5154 1.5154 1.5876 1.5876 1.5937 1.5937 5.7410 5.7410 7.7421 7.7421 8.3943 8.3943 8.5789 8.5789 9.1941 9.1941 10.2450 10.2450 k = 0.5000 0.2277 0.0554 ( 7756 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4660 -11.4660 -11.0143 -11.0143 -10.5485 -10.5485 -10.5450 -10.5450 -7.0996 -7.0996 -7.0651 -7.0651 -6.2370 -6.2370 -6.2347 -6.2347 -6.1934 -6.1934 -6.1890 -6.1890 -4.5371 -4.5371 -4.4688 -4.4688 -3.8898 -3.8898 -3.8617 -3.8617 -3.6871 -3.6871 -0.7220 -0.7220 -0.6854 -0.6854 0.0019 0.0019 0.5804 0.5804 1.0398 1.0398 1.1207 1.1207 1.1870 1.1870 1.2026 1.2026 1.4988 1.4988 1.5130 1.5130 1.5835 1.5835 1.5928 1.5928 5.7286 5.7286 7.7335 7.7335 8.3797 8.3797 8.5684 8.5684 9.1852 9.1852 10.2372 10.2372 k = 0.5000 0.2277 0.0277 ( 7760 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4672 -11.4672 -11.0140 -11.0140 -10.5485 -10.5485 -10.5448 -10.5448 -7.0998 -7.0998 -7.0649 -7.0649 -6.2371 -6.2371 -6.2349 -6.2349 -6.1932 -6.1932 -6.1890 -6.1890 -4.5366 -4.5366 -4.4675 -4.4675 -3.8891 -3.8891 -3.8614 -3.8614 -3.6828 -3.6828 -0.7150 -0.7150 -0.6911 -0.6911 0.0005 0.0005 0.5775 0.5775 1.0419 1.0419 1.1198 1.1198 1.1862 1.1862 1.2072 1.2072 1.4965 1.4965 1.5119 1.5119 1.5809 1.5809 1.5923 1.5923 5.7211 5.7211 7.7282 7.7282 8.3709 8.3709 8.5621 8.5621 9.1798 9.1798 10.2326 10.2326 k = 0.5000 0.2277-0.0000 ( 7748 PWs) bands (ev): -22.3886 -22.3886 -22.3881 -22.3881 -11.4676 -11.4676 -11.0139 -11.0139 -10.5486 -10.5486 -10.5448 -10.5448 -7.0998 -7.0998 -7.0649 -7.0649 -6.2371 -6.2371 -6.2350 -6.2350 -6.1932 -6.1932 -6.1890 -6.1890 -4.5364 -4.5364 -4.4670 -4.4670 -3.8889 -3.8889 -3.8613 -3.8613 -3.6813 -3.6813 -0.7142 -0.7142 -0.6914 -0.6914 0.0000 0.0000 0.5766 0.5766 1.0425 1.0425 1.1195 1.1195 1.1860 1.1860 1.2088 1.2088 1.4957 1.4957 1.5116 1.5116 1.5800 1.5800 1.5922 1.5922 5.7186 5.7186 7.7265 7.7265 8.3679 8.3679 8.5600 8.5600 9.1781 9.1781 10.2310 10.2310 k = 0.0000 0.0000 1.2063 ( 7694 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1324 -7.1324 -7.0700 -7.0700 -6.2976 -6.2976 -6.2608 -6.2608 -6.2140 -6.2140 -6.1880 -6.1880 -4.9266 -4.9266 -4.7224 -4.7224 -4.1964 -4.1964 -4.0888 -4.0888 -3.9286 -3.9286 -2.2343 -2.2343 0.2910 0.2910 0.5656 0.5656 0.7404 0.7404 0.7669 0.7669 1.1856 1.1856 1.3830 1.3830 1.6467 1.6467 1.6907 1.6907 1.8642 1.8642 2.0204 2.0204 2.1655 2.1655 8.3354 8.3354 8.8465 8.8465 8.9626 8.9626 9.1657 9.1657 9.4005 9.4005 9.7938 9.7938 k = 0.0250 0.0114 1.2063 ( 7684 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1324 -7.1324 -7.0701 -7.0701 -6.2974 -6.2974 -6.2609 -6.2609 -6.2139 -6.2139 -6.1881 -6.1881 -4.9266 -4.9266 -4.7223 -4.7223 -4.1964 -4.1964 -4.0888 -4.0888 -3.9285 -3.9285 -2.2343 -2.2343 0.2897 0.2897 0.5671 0.5671 0.7404 0.7404 0.7668 0.7668 1.1865 1.1865 1.3812 1.3812 1.6481 1.6481 1.6912 1.6912 1.8633 1.8633 2.0202 2.0202 2.1655 2.1655 8.3375 8.3375 8.8466 8.8466 8.9552 8.9552 9.1640 9.1640 9.4103 9.4103 9.7895 9.7895 k = 0.0500 0.0228 1.2063 ( 7686 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1323 -7.1323 -7.0702 -7.0702 -6.2971 -6.2971 -6.2612 -6.2612 -6.2135 -6.2135 -6.1886 -6.1886 -4.9265 -4.9265 -4.7223 -4.7223 -4.1963 -4.1963 -4.0888 -4.0888 -3.9286 -3.9286 -2.2342 -2.2342 0.2859 0.2859 0.5713 0.5713 0.7407 0.7407 0.7664 0.7664 1.1889 1.1889 1.3759 1.3759 1.6520 1.6520 1.6930 1.6930 1.8608 1.8608 2.0195 2.0195 2.1655 2.1655 8.3438 8.3438 8.8451 8.8451 8.9367 8.9367 9.1589 9.1589 9.4375 9.4375 9.7781 9.7781 k = 0.0750 0.0342 1.2063 ( 7686 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1322 -7.1322 -7.0703 -7.0703 -6.2965 -6.2965 -6.2617 -6.2617 -6.2129 -6.2129 -6.1893 -6.1893 -4.9265 -4.9265 -4.7222 -4.7222 -4.1963 -4.1963 -4.0888 -4.0888 -3.9286 -3.9286 -2.2340 -2.2340 0.2803 0.2803 0.5777 0.5777 0.7410 0.7410 0.7659 0.7659 1.1928 1.1928 1.3676 1.3676 1.6573 1.6573 1.6964 1.6964 1.8566 1.8566 2.0184 2.0184 2.1655 2.1655 8.3542 8.3542 8.8365 8.8365 8.9178 8.9178 9.1501 9.1501 9.4776 9.4776 9.7623 9.7623 k = 0.1000 0.0455 1.2063 ( 7684 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1320 -7.1320 -7.0705 -7.0705 -6.2958 -6.2958 -6.2623 -6.2623 -6.2122 -6.2122 -6.1902 -6.1902 -4.9265 -4.9265 -4.7222 -4.7222 -4.1963 -4.1963 -4.0888 -4.0888 -3.9286 -3.9286 -2.2338 -2.2338 0.2735 0.2735 0.5855 0.5855 0.7414 0.7414 0.7652 0.7652 1.1983 1.1983 1.3570 1.3570 1.6626 1.6626 1.7023 1.7023 1.8509 1.8509 2.0170 2.0170 2.1655 2.1655 8.3685 8.3685 8.8129 8.8129 8.9107 8.9107 9.1378 9.1378 9.5258 9.5258 9.7453 9.7453 k = 0.1250 0.0569 1.2063 ( 7698 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1318 -7.1318 -7.0707 -7.0707 -6.2950 -6.2950 -6.2630 -6.2630 -6.2112 -6.2112 -6.1913 -6.1913 -4.9265 -4.9265 -4.7222 -4.7222 -4.1963 -4.1963 -4.0889 -4.0889 -3.9286 -3.9286 -2.2335 -2.2335 0.2663 0.2663 0.5938 0.5938 0.7420 0.7420 0.7644 0.7644 1.2050 1.2050 1.3449 1.3449 1.6668 1.6668 1.7109 1.7109 1.8437 1.8437 2.0155 2.0155 2.1655 2.1655 8.3866 8.3866 8.7769 8.7769 8.9160 8.9160 9.1223 9.1223 9.5787 9.5787 9.7292 9.7292 k = 0.1500 0.0683 1.2063 ( 7722 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1316 -7.1316 -7.0709 -7.0709 -6.2941 -6.2941 -6.2638 -6.2638 -6.2102 -6.2102 -6.1926 -6.1926 -4.9265 -4.9265 -4.7222 -4.7222 -4.1963 -4.1963 -4.0889 -4.0889 -3.9287 -3.9287 -2.2333 -2.2333 0.2595 0.2595 0.6017 0.6017 0.7425 0.7425 0.7636 0.7636 1.2128 1.2128 1.3321 1.3321 1.6696 1.6696 1.7218 1.7218 1.8353 1.8353 2.0139 2.0139 2.1654 2.1654 8.4079 8.4079 8.7360 8.7360 8.9283 8.9283 9.1041 9.1041 9.6332 9.6332 9.7160 9.7160 k = 0.1750 0.0797 1.2063 ( 7714 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6145 -10.6145 -10.5221 -10.5221 -7.1314 -7.1314 -7.0711 -7.0711 -6.2933 -6.2933 -6.2645 -6.2645 -6.2091 -6.2091 -6.1938 -6.1938 -4.9265 -4.9265 -4.7221 -4.7221 -4.1963 -4.1963 -4.0889 -4.0889 -3.9287 -3.9287 -2.2331 -2.2331 0.2536 0.2536 0.6087 0.6087 0.7431 0.7431 0.7628 0.7628 1.2213 1.2213 1.3194 1.3194 1.6714 1.6714 1.7340 1.7340 1.8259 1.8259 2.0125 2.0125 2.1654 2.1654 8.4318 8.4318 8.6950 8.6950 8.9444 8.9444 9.0840 9.0840 9.6821 9.6821 9.7118 9.7118 k = 0.2000 0.0911 1.2063 ( 7716 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6144 -10.6144 -10.5222 -10.5222 -7.1312 -7.1312 -7.0712 -7.0712 -6.2926 -6.2926 -6.2651 -6.2651 -6.2081 -6.2081 -6.1950 -6.1950 -4.9265 -4.9265 -4.7221 -4.7221 -4.1963 -4.1963 -4.0889 -4.0889 -3.9287 -3.9287 -2.2329 -2.2329 0.2491 0.2491 0.6140 0.6140 0.7435 0.7435 0.7622 0.7622 1.2297 1.2297 1.3077 1.3077 1.6724 1.6724 1.7461 1.7461 1.8162 1.8162 2.0114 2.0114 2.1654 2.1654 8.4566 8.4566 8.6572 8.6572 8.9627 8.9627 9.0629 9.0629 9.6902 9.6902 9.7504 9.7504 k = 0.2250 0.1025 1.2063 ( 7724 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6144 -10.6144 -10.5222 -10.5222 -7.1311 -7.1311 -7.0713 -7.0713 -6.2922 -6.2922 -6.2655 -6.2655 -6.2074 -6.2074 -6.1958 -6.1958 -4.9265 -4.9265 -4.7221 -4.7221 -4.1963 -4.1963 -4.0890 -4.0890 -3.9287 -3.9287 -2.2328 -2.2328 0.2463 0.2463 0.6174 0.6174 0.7438 0.7438 0.7617 0.7617 1.2366 1.2366 1.2988 1.2988 1.6729 1.6729 1.7562 1.7562 1.8078 1.8078 2.0107 2.0107 2.1654 2.1654 8.4783 8.4783 8.6274 8.6274 8.9807 8.9807 9.0432 9.0432 9.6868 9.6868 9.7994 9.7994 k = 0.2500 0.1139 1.2063 ( 7732 PWs) bands (ev): -22.3876 -22.3876 -22.3846 -22.3846 -11.0963 -11.0963 -11.0916 -11.0916 -10.6144 -10.6144 -10.5222 -10.5222 -7.1311 -7.1311 -7.0713 -7.0713 -6.2920 -6.2920 -6.2656 -6.2656 -6.2071 -6.2071 -6.1961 -6.1961 -4.9265 -4.9265 -4.7221 -4.7221 -4.1963 -4.1963 -4.0890 -4.0890 -3.9287 -3.9287 -2.2327 -2.2327 0.2453 0.2453 0.6185 0.6185 0.7439 0.7439 0.7616 0.7616 1.2395 1.2395 1.2952 1.2952 1.6731 1.6731 1.7605 1.7605 1.8040 1.8040 2.0104 2.0104 2.1654 2.1654 8.4880 8.4880 8.6150 8.6150 8.9907 8.9907 9.0327 9.0327 9.6854 9.6854 9.8279 9.8279 Writing output data file Rb2CdCl4.save init_run : 1.32s CPU 1.59s WALL ( 1 calls) electrons : 592.00s CPU 597.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.17s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 591.99s CPU 597.33s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.22s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 271 calls) cegterg : 548.90s CPU 553.32s WALL ( 569 calls) Called by sum_band: Called by *egterg: h_psi : 414.73s CPU 419.59s WALL ( 8699 calls) s_psi : 11.68s CPU 11.77s WALL ( 8699 calls) g_psi : 0.30s CPU 0.27s WALL ( 7859 calls) cdiaghg : 129.74s CPU 129.92s WALL ( 8130 calls) cegterg:over : 13.64s CPU 13.56s WALL ( 7859 calls) cegterg:upda : 9.04s CPU 9.14s WALL ( 7859 calls) cegterg:last : 4.26s CPU 4.21s WALL ( 1111 calls) cdiaghg:chol : 5.66s CPU 5.65s WALL ( 8130 calls) cdiaghg:inve : 3.92s CPU 3.97s WALL ( 8130 calls) cdiaghg:para : 7.28s CPU 7.39s WALL ( 16260 calls) Called by h_psi: h_psi:vloc : 388.16s CPU 392.81s WALL ( 8699 calls) h_psi:vnl : 26.27s CPU 26.49s WALL ( 8699 calls) add_vuspsi : 13.86s CPU 13.99s WALL ( 8699 calls) General routines calbec : 12.38s CPU 12.48s WALL ( 8699 calls) fft : 0.06s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 360.23s CPU 364.66s WALL ( 998772 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.11s CPU 0.20s WALL ( 542 calls) Parallel routines fft_scatter : 153.95s CPU 156.84s WALL ( 998795 calls) PWSCF : 10m31.15s CPU 10m56.30s WALL This run was terminated on: 6:15:29 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=