Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:29:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaAlH4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 102 84 24 2629 1970 296 Max 103 85 25 2632 1990 298 Sum 3707 3049 867 94717 71291 10673 bravais-lattice index = 14 lattice parameter (alat) = 12.6333 a.u. unit-cell volume = 963.3938 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.633271 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.718069 celldm(5)= -0.718069 celldm(6)= 0.436137 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.436137 0.899880 0.000000 ) a(3) = ( -0.718069 -0.449940 0.530972 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.484661 0.941669 ) b(2) = ( 0.000000 1.111259 0.941669 ) b(3) = ( 0.000000 0.000000 1.883338 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 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 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 H 1.00 1.00790 H( 1.00) Na 9.00 22.98980 Na( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0000000 0.0000000 0.0209260), wk = 0.0033557 k( 3) = ( 0.0000000 0.0000000 0.0418519), wk = 0.0033557 k( 4) = ( 0.0000000 0.0000000 0.0627779), wk = 0.0033557 k( 5) = ( 0.0000000 0.0000000 0.0837039), wk = 0.0033557 k( 6) = ( 0.0000000 0.0000000 0.1046299), wk = 0.0033557 k( 7) = ( 0.0000000 0.0000000 0.1255559), wk = 0.0033557 k( 8) = ( 0.0000000 0.0000000 0.1464818), wk = 0.0033557 k( 9) = ( 0.0000000 0.0000000 0.1674078), wk = 0.0033557 k( 10) = ( 0.0000000 0.0000000 0.1883338), wk = 0.0033557 k( 11) = ( 0.0000000 0.0000000 0.2092598), wk = 0.0033557 k( 12) = ( 0.0000000 0.0000000 0.2301857), wk = 0.0033557 k( 13) = ( 0.0000000 0.0000000 0.2511117), wk = 0.0033557 k( 14) = ( 0.0000000 0.0000000 0.2720377), wk = 0.0033557 k( 15) = ( 0.0000000 0.0000000 0.2929637), wk = 0.0033557 k( 16) = ( 0.0000000 0.0000000 0.3138897), wk = 0.0033557 k( 17) = ( 0.0000000 0.0000000 0.3348156), wk = 0.0033557 k( 18) = ( 0.0000000 0.0000000 0.3557416), wk = 0.0033557 k( 19) = ( 0.0000000 0.0000000 0.3766676), wk = 0.0033557 k( 20) = ( 0.0000000 0.0000000 0.3975935), wk = 0.0033557 k( 21) = ( 0.0000000 0.0000000 0.4185195), wk = 0.0033557 k( 22) = ( 0.0000000 0.0000000 0.4394455), wk = 0.0033557 k( 23) = ( 0.0000000 0.0000000 0.4603715), wk = 0.0033557 k( 24) = ( 0.0000000 0.0000000 0.4812975), wk = 0.0033557 k( 25) = ( 0.0000000 0.0000000 0.5022234), wk = 0.0033557 k( 26) = ( 0.0000000 0.0000000 0.5231494), wk = 0.0033557 k( 27) = ( 0.0000000 0.0000000 0.5440754), wk = 0.0033557 k( 28) = ( 0.0000000 0.0000000 0.5650014), wk = 0.0033557 k( 29) = ( 0.0000000 0.0000000 0.5859273), wk = 0.0033557 k( 30) = ( 0.0000000 0.0000000 0.6068533), wk = 0.0033557 k( 31) = ( 0.0000000 0.0000000 0.6277793), wk = 0.0033557 k( 32) = ( 0.0000000 0.0000000 0.6487053), wk = 0.0033557 k( 33) = ( 0.0000000 0.0000000 0.6696313), wk = 0.0033557 k( 34) = ( 0.0000000 0.0000000 0.6905572), wk = 0.0033557 k( 35) = ( 0.0000000 0.0000000 0.7114832), wk = 0.0033557 k( 36) = ( 0.0000000 0.0000000 0.7324092), wk = 0.0033557 k( 37) = ( 0.0000000 0.0000000 0.7533352), wk = 0.0033557 k( 38) = ( 0.0000000 0.0000000 0.7742611), wk = 0.0033557 k( 39) = ( 0.0000000 0.0000000 0.7951871), wk = 0.0033557 k( 40) = ( 0.0000000 0.0000000 0.8161131), wk = 0.0033557 k( 41) = ( 0.0000000 0.0000000 0.8370390), wk = 0.0033557 k( 42) = ( 0.0000000 0.0000000 0.8579650), wk = 0.0033557 k( 43) = ( 0.0000000 0.0000000 0.8788910), wk = 0.0033557 k( 44) = ( 0.0000000 0.0000000 0.8998170), wk = 0.0033557 k( 45) = ( 0.0000000 0.0000000 0.9207430), wk = 0.0033557 k( 46) = ( 0.0000000 0.0000000 0.9416689), wk = 0.0033557 k( 47) = ( 0.0000000 0.0000000 0.9416689), wk = 0.0033557 k( 48) = ( -0.0109062 0.0174055 0.9416689), wk = 0.0033557 k( 49) = ( -0.0218125 0.0348110 0.9416689), wk = 0.0033557 k( 50) = ( -0.0327187 0.0522165 0.9416689), wk = 0.0033557 k( 51) = ( -0.0436250 0.0696220 0.9416689), wk = 0.0033557 k( 52) = ( -0.0545312 0.0870275 0.9416689), wk = 0.0033557 k( 53) = ( -0.0654374 0.1044330 0.9416689), wk = 0.0033557 k( 54) = ( -0.0763437 0.1218384 0.9416689), wk = 0.0033557 k( 55) = ( -0.0872499 0.1392439 0.9416689), wk = 0.0033557 k( 56) = ( -0.0981562 0.1566494 0.9416689), wk = 0.0033557 k( 57) = ( -0.0981562 0.1566494 0.9416689), wk = 0.0033557 k( 58) = ( -0.1058839 0.1689823 0.9271149), wk = 0.0033557 k( 59) = ( -0.1136117 0.1813152 0.9125610), wk = 0.0033557 k( 60) = ( -0.1213395 0.1936481 0.8980070), wk = 0.0033557 k( 61) = ( -0.1290672 0.2059810 0.8834530), wk = 0.0033557 k( 62) = ( -0.1367950 0.2183139 0.8688990), wk = 0.0033557 k( 63) = ( -0.1445228 0.2306468 0.8543450), wk = 0.0033557 k( 64) = ( -0.1522505 0.2429797 0.8397910), wk = 0.0033557 k( 65) = ( -0.1599783 0.2553126 0.8252370), wk = 0.0033557 k( 66) = ( -0.1677061 0.2676455 0.8106830), wk = 0.0033557 k( 67) = ( -0.1754338 0.2799784 0.7961290), wk = 0.0033557 k( 68) = ( -0.1831616 0.2923113 0.7815750), wk = 0.0033557 k( 69) = ( -0.1908894 0.3046442 0.7670210), wk = 0.0033557 k( 70) = ( -0.1986171 0.3169771 0.7524670), wk = 0.0033557 k( 71) = ( -0.2063449 0.3293100 0.7379130), wk = 0.0033557 k( 72) = ( -0.2140727 0.3416429 0.7233590), wk = 0.0033557 k( 73) = ( -0.2218004 0.3539758 0.7088050), wk = 0.0033557 k( 74) = ( -0.2295282 0.3663087 0.6942510), wk = 0.0033557 k( 75) = ( -0.2372560 0.3786416 0.6796970), wk = 0.0033557 k( 76) = ( -0.2449837 0.3909745 0.6651431), wk = 0.0033557 k( 77) = ( -0.2527115 0.4033074 0.6505890), wk = 0.0033557 k( 78) = ( -0.2604393 0.4156403 0.6360351), wk = 0.0033557 k( 79) = ( -0.2681670 0.4279732 0.6214811), wk = 0.0033557 k( 80) = ( -0.2758948 0.4403061 0.6069271), wk = 0.0033557 k( 81) = ( -0.2836225 0.4526390 0.5923731), wk = 0.0033557 k( 82) = ( -0.2913503 0.4649719 0.5778191), wk = 0.0033557 k( 83) = ( -0.2990781 0.4773048 0.5632651), wk = 0.0033557 k( 84) = ( -0.2990781 0.4773048 0.5632651), wk = 0.0033557 k( 85) = ( -0.2912076 0.4647441 0.5484423), wk = 0.0033557 k( 86) = ( -0.2833371 0.4521835 0.5336195), wk = 0.0033557 k( 87) = ( -0.2754667 0.4396228 0.5187968), wk = 0.0033557 k( 88) = ( -0.2675962 0.4270622 0.5039740), wk = 0.0033557 k( 89) = ( -0.2597257 0.4145015 0.4891513), wk = 0.0033557 k( 90) = ( -0.2518552 0.4019409 0.4743285), wk = 0.0033557 k( 91) = ( -0.2439848 0.3893802 0.4595057), wk = 0.0033557 k( 92) = ( -0.2361143 0.3768196 0.4446830), wk = 0.0033557 k( 93) = ( -0.2282438 0.3642589 0.4298602), wk = 0.0033557 k( 94) = ( -0.2203733 0.3516983 0.4150374), wk = 0.0033557 k( 95) = ( -0.2125028 0.3391376 0.4002147), wk = 0.0033557 k( 96) = ( -0.2046324 0.3265770 0.3853919), wk = 0.0033557 k( 97) = ( -0.1967619 0.3140163 0.3705691), wk = 0.0033557 k( 98) = ( -0.1888914 0.3014556 0.3557464), wk = 0.0033557 k( 99) = ( -0.1810210 0.2888950 0.3409236), wk = 0.0033557 k( 100) = ( -0.1731505 0.2763343 0.3261008), wk = 0.0033557 k( 101) = ( -0.1652800 0.2637737 0.3112781), wk = 0.0033557 k( 102) = ( -0.1574095 0.2512130 0.2964553), wk = 0.0033557 k( 103) = ( -0.1495390 0.2386524 0.2816325), wk = 0.0033557 k( 104) = ( -0.1416686 0.2260917 0.2668098), wk = 0.0033557 k( 105) = ( -0.1337981 0.2135311 0.2519870), wk = 0.0033557 k( 106) = ( -0.1259276 0.2009704 0.2371643), wk = 0.0033557 k( 107) = ( -0.1180571 0.1884098 0.2223415), wk = 0.0033557 k( 108) = ( -0.1101867 0.1758491 0.2075187), wk = 0.0033557 k( 109) = ( -0.1023162 0.1632885 0.1926960), wk = 0.0033557 k( 110) = ( -0.0944457 0.1507278 0.1778732), wk = 0.0033557 k( 111) = ( -0.0865752 0.1381672 0.1630504), wk = 0.0033557 k( 112) = ( -0.0787048 0.1256065 0.1482277), wk = 0.0033557 k( 113) = ( -0.0708343 0.1130459 0.1334049), wk = 0.0033557 k( 114) = ( -0.0629638 0.1004852 0.1185821), wk = 0.0033557 k( 115) = ( -0.0550933 0.0879246 0.1037594), wk = 0.0033557 k( 116) = ( -0.0472229 0.0753639 0.0889366), wk = 0.0033557 k( 117) = ( -0.0393524 0.0628033 0.0741138), wk = 0.0033557 k( 118) = ( -0.0314819 0.0502426 0.0592911), wk = 0.0033557 k( 119) = ( -0.0236114 0.0376820 0.0444683), wk = 0.0033557 k( 120) = ( -0.0157410 0.0251213 0.0296455), wk = 0.0033557 k( 121) = ( -0.0078705 0.0125607 0.0148228), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 124) = ( 0.0178571 0.0111892 -0.0000000), wk = 0.0033557 k( 125) = ( 0.0357143 0.0223785 -0.0000000), wk = 0.0033557 k( 126) = ( 0.0535714 0.0335677 -0.0000000), wk = 0.0033557 k( 127) = ( 0.0714286 0.0447570 -0.0000000), wk = 0.0033557 k( 128) = ( 0.0892857 0.0559462 -0.0000000), wk = 0.0033557 k( 129) = ( 0.1071429 0.0671355 -0.0000000), wk = 0.0033557 k( 130) = ( 0.1250000 0.0783247 -0.0000000), wk = 0.0033557 k( 131) = ( 0.1428571 0.0895140 -0.0000000), wk = 0.0033557 k( 132) = ( 0.1607143 0.1007032 -0.0000000), wk = 0.0033557 k( 133) = ( 0.1785714 0.1118924 -0.0000000), wk = 0.0033557 k( 134) = ( 0.1964286 0.1230817 -0.0000000), wk = 0.0033557 k( 135) = ( 0.2142857 0.1342709 -0.0000000), wk = 0.0033557 k( 136) = ( 0.2321429 0.1454602 -0.0000000), wk = 0.0033557 k( 137) = ( 0.2500000 0.1566494 -0.0000000), wk = 0.0033557 k( 138) = ( 0.2678571 0.1678387 -0.0000000), wk = 0.0033557 k( 139) = ( 0.2857143 0.1790279 -0.0000000), wk = 0.0033557 k( 140) = ( 0.3035714 0.1902172 -0.0000000), wk = 0.0033557 k( 141) = ( 0.3214286 0.2014064 -0.0000000), wk = 0.0033557 k( 142) = ( 0.3392857 0.2125956 -0.0000000), wk = 0.0033557 k( 143) = ( 0.3571429 0.2237849 -0.0000000), wk = 0.0033557 k( 144) = ( 0.3750000 0.2349741 -0.0000000), wk = 0.0033557 k( 145) = ( 0.3928571 0.2461634 -0.0000000), wk = 0.0033557 k( 146) = ( 0.4107143 0.2573526 -0.0000000), wk = 0.0033557 k( 147) = ( 0.4285714 0.2685419 -0.0000000), wk = 0.0033557 k( 148) = ( 0.4464286 0.2797311 -0.0000000), wk = 0.0033557 k( 149) = ( 0.4642857 0.2909204 -0.0000000), wk = 0.0033557 k( 150) = ( 0.4821429 0.3021096 -0.0000000), wk = 0.0033557 k( 151) = ( 0.5000000 0.3132989 -0.0000000), wk = 0.0033557 k( 152) = ( 0.5000000 0.3132989 -0.0000000), wk = 0.0033557 k( 153) = ( 0.4922722 0.3256318 0.0145540), wk = 0.0033557 k( 154) = ( 0.4845445 0.3379647 0.0291080), wk = 0.0033557 k( 155) = ( 0.4768167 0.3502976 0.0436620), wk = 0.0033557 k( 156) = ( 0.4690889 0.3626304 0.0582160), wk = 0.0033557 k( 157) = ( 0.4613612 0.3749633 0.0727700), wk = 0.0033557 k( 158) = ( 0.4536334 0.3872963 0.0873240), wk = 0.0033557 k( 159) = ( 0.4459056 0.3996291 0.1018780), wk = 0.0033557 k( 160) = ( 0.4381779 0.4119620 0.1164320), wk = 0.0033557 k( 161) = ( 0.4304501 0.4242949 0.1309859), wk = 0.0033557 k( 162) = ( 0.4227223 0.4366278 0.1455399), wk = 0.0033557 k( 163) = ( 0.4149946 0.4489607 0.1600939), wk = 0.0033557 k( 164) = ( 0.4072668 0.4612936 0.1746479), wk = 0.0033557 k( 165) = ( 0.3995390 0.4736265 0.1892019), wk = 0.0033557 k( 166) = ( 0.3918113 0.4859594 0.2037559), wk = 0.0033557 k( 167) = ( 0.3840835 0.4982923 0.2183099), wk = 0.0033557 k( 168) = ( 0.3763557 0.5106252 0.2328639), wk = 0.0033557 k( 169) = ( 0.3686280 0.5229581 0.2474179), wk = 0.0033557 k( 170) = ( 0.3609002 0.5352910 0.2619719), wk = 0.0033557 k( 171) = ( 0.3531725 0.5476239 0.2765259), wk = 0.0033557 k( 172) = ( 0.3454447 0.5599568 0.2910799), wk = 0.0033557 k( 173) = ( 0.3377169 0.5722897 0.3056339), wk = 0.0033557 k( 174) = ( 0.3299892 0.5846226 0.3201879), wk = 0.0033557 k( 175) = ( 0.3222614 0.5969555 0.3347419), wk = 0.0033557 k( 176) = ( 0.3145336 0.6092884 0.3492959), wk = 0.0033557 k( 177) = ( 0.3068058 0.6216213 0.3638499), wk = 0.0033557 k( 178) = ( 0.2990781 0.6339542 0.3784038), wk = 0.0033557 k( 179) = ( 0.2990781 0.6339542 0.3784038), wk = 0.0033557 k( 180) = ( 0.2803857 0.6290589 0.3841808), wk = 0.0033557 k( 181) = ( 0.2616933 0.6241636 0.3899577), wk = 0.0033557 k( 182) = ( 0.2430009 0.6192683 0.3957346), wk = 0.0033557 k( 183) = ( 0.2243086 0.6143730 0.4015115), wk = 0.0033557 k( 184) = ( 0.2056162 0.6094777 0.4072884), wk = 0.0033557 k( 185) = ( 0.1869238 0.6045825 0.4130653), wk = 0.0033557 k( 186) = ( 0.1682314 0.5996872 0.4188423), wk = 0.0033557 k( 187) = ( 0.1495390 0.5947919 0.4246192), wk = 0.0033557 k( 188) = ( 0.1308467 0.5898966 0.4303961), wk = 0.0033557 k( 189) = ( 0.1121543 0.5850013 0.4361730), wk = 0.0033557 k( 190) = ( 0.0934619 0.5801060 0.4419499), wk = 0.0033557 k( 191) = ( 0.0747695 0.5752107 0.4477268), wk = 0.0033557 k( 192) = ( 0.0560771 0.5703154 0.4535037), wk = 0.0033557 k( 193) = ( 0.0373848 0.5654201 0.4592806), wk = 0.0033557 k( 194) = ( 0.0186924 0.5605248 0.4650576), wk = 0.0033557 k( 195) = ( 0.0000000 0.5556295 0.4708345), wk = 0.0033557 k( 196) = ( 0.0000000 0.5556295 0.4708345), wk = 0.0033557 k( 197) = ( 0.0078125 0.5431614 0.4855480), wk = 0.0033557 k( 198) = ( 0.0156250 0.5306932 0.5002616), wk = 0.0033557 k( 199) = ( 0.0234375 0.5182251 0.5149752), wk = 0.0033557 k( 200) = ( 0.0312500 0.5057570 0.5296888), wk = 0.0033557 k( 201) = ( 0.0390625 0.4932889 0.5444024), wk = 0.0033557 k( 202) = ( 0.0468750 0.4808207 0.5591159), wk = 0.0033557 k( 203) = ( 0.0546875 0.4683526 0.5738295), wk = 0.0033557 k( 204) = ( 0.0625000 0.4558845 0.5885431), wk = 0.0033557 k( 205) = ( 0.0703125 0.4434164 0.6032567), wk = 0.0033557 k( 206) = ( 0.0781250 0.4309482 0.6179702), wk = 0.0033557 k( 207) = ( 0.0859375 0.4184801 0.6326838), wk = 0.0033557 k( 208) = ( 0.0937500 0.4060120 0.6473974), wk = 0.0033557 k( 209) = ( 0.1015625 0.3935438 0.6621110), wk = 0.0033557 k( 210) = ( 0.1093750 0.3810757 0.6768245), wk = 0.0033557 k( 211) = ( 0.1171875 0.3686076 0.6915381), wk = 0.0033557 k( 212) = ( 0.1250000 0.3561395 0.7062517), wk = 0.0033557 k( 213) = ( 0.1328125 0.3436713 0.7209653), wk = 0.0033557 k( 214) = ( 0.1406250 0.3312032 0.7356789), wk = 0.0033557 k( 215) = ( 0.1484375 0.3187351 0.7503924), wk = 0.0033557 k( 216) = ( 0.1562500 0.3062670 0.7651060), wk = 0.0033557 k( 217) = ( 0.1640625 0.2937988 0.7798196), wk = 0.0033557 k( 218) = ( 0.1718750 0.2813307 0.7945332), wk = 0.0033557 k( 219) = ( 0.1796875 0.2688626 0.8092467), wk = 0.0033557 k( 220) = ( 0.1875000 0.2563944 0.8239603), wk = 0.0033557 k( 221) = ( 0.1953125 0.2439263 0.8386739), wk = 0.0033557 k( 222) = ( 0.2031250 0.2314582 0.8533875), wk = 0.0033557 k( 223) = ( 0.2109375 0.2189901 0.8681011), wk = 0.0033557 k( 224) = ( 0.2187500 0.2065219 0.8828146), wk = 0.0033557 k( 225) = ( 0.2265625 0.1940538 0.8975282), wk = 0.0033557 k( 226) = ( 0.2343750 0.1815857 0.9122418), wk = 0.0033557 k( 227) = ( 0.2421875 0.1691176 0.9269554), wk = 0.0033557 k( 228) = ( 0.2500000 0.1566494 0.9416689), wk = 0.0033557 k( 229) = ( 0.2500000 0.1566494 0.9416689), wk = 0.0033557 k( 230) = ( 0.2647059 0.1658641 0.9307948), wk = 0.0033557 k( 231) = ( 0.2794118 0.1750788 0.9199205), wk = 0.0033557 k( 232) = ( 0.2941177 0.1842934 0.9090464), wk = 0.0033557 k( 233) = ( 0.3088235 0.1935081 0.8981722), wk = 0.0033557 k( 234) = ( 0.3235294 0.2027228 0.8872980), wk = 0.0033557 k( 235) = ( 0.3382353 0.2119375 0.8764238), wk = 0.0033557 k( 236) = ( 0.3529412 0.2211521 0.8655496), wk = 0.0033557 k( 237) = ( 0.3676471 0.2303668 0.8546754), wk = 0.0033557 k( 238) = ( 0.3823529 0.2395815 0.8438012), wk = 0.0033557 k( 239) = ( 0.3970588 0.2487961 0.8329270), wk = 0.0033557 k( 240) = ( 0.4117647 0.2580108 0.8220529), wk = 0.0033557 k( 241) = ( 0.4264706 0.2672255 0.8111787), wk = 0.0033557 k( 242) = ( 0.4411765 0.2764402 0.8003045), wk = 0.0033557 k( 243) = ( 0.4558823 0.2856548 0.7894303), wk = 0.0033557 k( 244) = ( 0.4705882 0.2948695 0.7785561), wk = 0.0033557 k( 245) = ( 0.4852941 0.3040842 0.7676819), wk = 0.0033557 k( 246) = ( 0.5000000 0.3132989 0.7568077), wk = 0.0033557 k( 247) = ( 0.5000000 0.3132989 0.7568077), wk = 0.0033557 k( 248) = ( 0.5000000 0.3132989 0.7357853), wk = 0.0033557 k( 249) = ( 0.5000000 0.3132989 0.7147628), wk = 0.0033557 k( 250) = ( 0.5000000 0.3132989 0.6937404), wk = 0.0033557 k( 251) = ( 0.5000000 0.3132989 0.6727179), wk = 0.0033557 k( 252) = ( 0.5000000 0.3132989 0.6516955), wk = 0.0033557 k( 253) = ( 0.5000000 0.3132989 0.6306731), wk = 0.0033557 k( 254) = ( 0.5000000 0.3132989 0.6096507), wk = 0.0033557 k( 255) = ( 0.5000000 0.3132989 0.5886282), wk = 0.0033557 k( 256) = ( 0.5000000 0.3132989 0.5676058), wk = 0.0033557 k( 257) = ( 0.5000000 0.3132989 0.5465833), wk = 0.0033557 k( 258) = ( 0.5000000 0.3132989 0.5255609), wk = 0.0033557 k( 259) = ( 0.5000000 0.3132989 0.5045385), wk = 0.0033557 k( 260) = ( 0.5000000 0.3132989 0.4835160), wk = 0.0033557 k( 261) = ( 0.5000000 0.3132989 0.4624936), wk = 0.0033557 k( 262) = ( 0.5000000 0.3132989 0.4414712), wk = 0.0033557 k( 263) = ( 0.5000000 0.3132989 0.4204487), wk = 0.0033557 k( 264) = ( 0.5000000 0.3132989 0.3994263), wk = 0.0033557 k( 265) = ( 0.5000000 0.3132989 0.3784038), wk = 0.0033557 k( 266) = ( 0.5000000 0.3132989 0.3573814), wk = 0.0033557 k( 267) = ( 0.5000000 0.3132989 0.3363590), wk = 0.0033557 k( 268) = ( 0.5000000 0.3132989 0.3153365), wk = 0.0033557 k( 269) = ( 0.5000000 0.3132989 0.2943141), wk = 0.0033557 k( 270) = ( 0.5000000 0.3132989 0.2732917), wk = 0.0033557 k( 271) = ( 0.5000000 0.3132989 0.2522692), wk = 0.0033557 k( 272) = ( 0.5000000 0.3132989 0.2312468), wk = 0.0033557 k( 273) = ( 0.5000000 0.3132989 0.2102244), wk = 0.0033557 k( 274) = ( 0.5000000 0.3132989 0.1892019), wk = 0.0033557 k( 275) = ( 0.5000000 0.3132989 0.1681795), wk = 0.0033557 k( 276) = ( 0.5000000 0.3132989 0.1471571), wk = 0.0033557 k( 277) = ( 0.5000000 0.3132989 0.1261346), wk = 0.0033557 k( 278) = ( 0.5000000 0.3132989 0.1051122), wk = 0.0033557 k( 279) = ( 0.5000000 0.3132989 0.0840897), wk = 0.0033557 k( 280) = ( 0.5000000 0.3132989 0.0630673), wk = 0.0033557 k( 281) = ( 0.5000000 0.3132989 0.0420449), wk = 0.0033557 k( 282) = ( 0.5000000 0.3132989 0.0210224), wk = 0.0033557 k( 283) = ( 0.5000000 0.3132989 -0.0000000), wk = 0.0033557 k( 284) = ( 0.0000000 0.0000000 0.9416689), wk = 0.0033557 k( 285) = ( 0.0178571 0.0111892 0.9416689), wk = 0.0033557 k( 286) = ( 0.0357143 0.0223785 0.9416689), wk = 0.0033557 k( 287) = ( 0.0535714 0.0335677 0.9416689), wk = 0.0033557 k( 288) = ( 0.0714286 0.0447570 0.9416689), wk = 0.0033557 k( 289) = ( 0.0892857 0.0559462 0.9416689), wk = 0.0033557 k( 290) = ( 0.1071429 0.0671355 0.9416689), wk = 0.0033557 k( 291) = ( 0.1250000 0.0783247 0.9416689), wk = 0.0033557 k( 292) = ( 0.1428571 0.0895140 0.9416689), wk = 0.0033557 k( 293) = ( 0.1607143 0.1007032 0.9416689), wk = 0.0033557 k( 294) = ( 0.1785714 0.1118924 0.9416689), wk = 0.0033557 k( 295) = ( 0.1964286 0.1230817 0.9416689), wk = 0.0033557 k( 296) = ( 0.2142857 0.1342709 0.9416689), wk = 0.0033557 k( 297) = ( 0.2321429 0.1454602 0.9416689), wk = 0.0033557 k( 298) = ( 0.2500000 0.1566494 0.9416689), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0033557 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0033557 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0033557 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0033557 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033557 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0033557 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0033557 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0033557 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033557 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033557 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0033557 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0033557 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0033557 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0033557 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033557 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0033557 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0033557 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033557 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0033557 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033557 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0033557 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0033557 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0033557 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0033557 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033557 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0033557 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033557 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0033557 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0033557 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033557 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0033557 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0033557 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0033557 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0033557 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033557 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033557 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0033557 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0033557 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0033557 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033557 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0033557 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0033557 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0033557 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0033557 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 48) = ( -0.0109062 0.0109062 0.5000000), wk = 0.0033557 k( 49) = ( -0.0218125 0.0218125 0.5000000), wk = 0.0033557 k( 50) = ( -0.0327187 0.0327187 0.5000000), wk = 0.0033557 k( 51) = ( -0.0436250 0.0436250 0.5000000), wk = 0.0033557 k( 52) = ( -0.0545312 0.0545312 0.5000000), wk = 0.0033557 k( 53) = ( -0.0654374 0.0654374 0.5000000), wk = 0.0033557 k( 54) = ( -0.0763437 0.0763437 0.5000000), wk = 0.0033557 k( 55) = ( -0.0872499 0.0872499 0.5000000), wk = 0.0033557 k( 56) = ( -0.0981562 0.0981562 0.5000000), wk = 0.0033557 k( 57) = ( -0.0981562 0.0981562 0.5000000), wk = 0.0033557 k( 58) = ( -0.1058839 0.1058839 0.4922722), wk = 0.0033557 k( 59) = ( -0.1136117 0.1136117 0.4845445), wk = 0.0033557 k( 60) = ( -0.1213395 0.1213395 0.4768167), wk = 0.0033557 k( 61) = ( -0.1290672 0.1290672 0.4690889), wk = 0.0033557 k( 62) = ( -0.1367950 0.1367950 0.4613612), wk = 0.0033557 k( 63) = ( -0.1445228 0.1445228 0.4536334), wk = 0.0033557 k( 64) = ( -0.1522505 0.1522505 0.4459056), wk = 0.0033557 k( 65) = ( -0.1599783 0.1599783 0.4381779), wk = 0.0033557 k( 66) = ( -0.1677061 0.1677061 0.4304501), wk = 0.0033557 k( 67) = ( -0.1754338 0.1754338 0.4227223), wk = 0.0033557 k( 68) = ( -0.1831616 0.1831616 0.4149946), wk = 0.0033557 k( 69) = ( -0.1908894 0.1908894 0.4072668), wk = 0.0033557 k( 70) = ( -0.1986171 0.1986171 0.3995390), wk = 0.0033557 k( 71) = ( -0.2063449 0.2063449 0.3918113), wk = 0.0033557 k( 72) = ( -0.2140727 0.2140727 0.3840835), wk = 0.0033557 k( 73) = ( -0.2218004 0.2218004 0.3763557), wk = 0.0033557 k( 74) = ( -0.2295282 0.2295282 0.3686280), wk = 0.0033557 k( 75) = ( -0.2372560 0.2372560 0.3609002), wk = 0.0033557 k( 76) = ( -0.2449837 0.2449837 0.3531725), wk = 0.0033557 k( 77) = ( -0.2527115 0.2527115 0.3454447), wk = 0.0033557 k( 78) = ( -0.2604393 0.2604393 0.3377169), wk = 0.0033557 k( 79) = ( -0.2681670 0.2681670 0.3299892), wk = 0.0033557 k( 80) = ( -0.2758948 0.2758948 0.3222614), wk = 0.0033557 k( 81) = ( -0.2836225 0.2836225 0.3145336), wk = 0.0033557 k( 82) = ( -0.2913503 0.2913503 0.3068058), wk = 0.0033557 k( 83) = ( -0.2990781 0.2990781 0.2990781), wk = 0.0033557 k( 84) = ( -0.2990781 0.2990781 0.2990781), wk = 0.0033557 k( 85) = ( -0.2912076 0.2912076 0.2912076), wk = 0.0033557 k( 86) = ( -0.2833371 0.2833371 0.2833371), wk = 0.0033557 k( 87) = ( -0.2754667 0.2754667 0.2754667), wk = 0.0033557 k( 88) = ( -0.2675962 0.2675962 0.2675962), wk = 0.0033557 k( 89) = ( -0.2597257 0.2597257 0.2597257), wk = 0.0033557 k( 90) = ( -0.2518552 0.2518552 0.2518552), wk = 0.0033557 k( 91) = ( -0.2439848 0.2439847 0.2439848), wk = 0.0033557 k( 92) = ( -0.2361143 0.2361143 0.2361143), wk = 0.0033557 k( 93) = ( -0.2282438 0.2282438 0.2282438), wk = 0.0033557 k( 94) = ( -0.2203733 0.2203733 0.2203733), wk = 0.0033557 k( 95) = ( -0.2125028 0.2125028 0.2125028), wk = 0.0033557 k( 96) = ( -0.2046324 0.2046324 0.2046324), wk = 0.0033557 k( 97) = ( -0.1967619 0.1967619 0.1967619), wk = 0.0033557 k( 98) = ( -0.1888914 0.1888914 0.1888914), wk = 0.0033557 k( 99) = ( -0.1810210 0.1810210 0.1810209), wk = 0.0033557 k( 100) = ( -0.1731505 0.1731505 0.1731505), wk = 0.0033557 k( 101) = ( -0.1652800 0.1652800 0.1652800), wk = 0.0033557 k( 102) = ( -0.1574095 0.1574095 0.1574095), wk = 0.0033557 k( 103) = ( -0.1495390 0.1495390 0.1495390), wk = 0.0033557 k( 104) = ( -0.1416686 0.1416686 0.1416686), wk = 0.0033557 k( 105) = ( -0.1337981 0.1337981 0.1337981), wk = 0.0033557 k( 106) = ( -0.1259276 0.1259276 0.1259276), wk = 0.0033557 k( 107) = ( -0.1180571 0.1180571 0.1180571), wk = 0.0033557 k( 108) = ( -0.1101867 0.1101867 0.1101867), wk = 0.0033557 k( 109) = ( -0.1023162 0.1023162 0.1023162), wk = 0.0033557 k( 110) = ( -0.0944457 0.0944457 0.0944457), wk = 0.0033557 k( 111) = ( -0.0865752 0.0865752 0.0865752), wk = 0.0033557 k( 112) = ( -0.0787048 0.0787048 0.0787048), wk = 0.0033557 k( 113) = ( -0.0708343 0.0708343 0.0708343), wk = 0.0033557 k( 114) = ( -0.0629638 0.0629638 0.0629638), wk = 0.0033557 k( 115) = ( -0.0550933 0.0550933 0.0550933), wk = 0.0033557 k( 116) = ( -0.0472229 0.0472229 0.0472229), wk = 0.0033557 k( 117) = ( -0.0393524 0.0393524 0.0393524), wk = 0.0033557 k( 118) = ( -0.0314819 0.0314819 0.0314819), wk = 0.0033557 k( 119) = ( -0.0236114 0.0236114 0.0236114), wk = 0.0033557 k( 120) = ( -0.0157410 0.0157410 0.0157410), wk = 0.0033557 k( 121) = ( -0.0078705 0.0078705 0.0078705), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 124) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0033557 k( 125) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0033557 k( 126) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0033557 k( 127) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0033557 k( 128) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0033557 k( 129) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0033557 k( 130) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0033557 k( 131) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0033557 k( 132) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0033557 k( 133) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0033557 k( 134) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0033557 k( 135) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0033557 k( 136) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0033557 k( 137) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0033557 k( 138) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0033557 k( 139) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0033557 k( 140) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0033557 k( 141) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0033557 k( 142) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0033557 k( 143) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0033557 k( 144) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0033557 k( 145) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0033557 k( 146) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0033557 k( 147) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0033557 k( 148) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0033557 k( 149) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0033557 k( 150) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0033557 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033557 k( 152) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033557 k( 153) = ( 0.4922722 0.5077278 -0.4922722), wk = 0.0033557 k( 154) = ( 0.4845445 0.5154555 -0.4845445), wk = 0.0033557 k( 155) = ( 0.4768167 0.5231833 -0.4768167), wk = 0.0033557 k( 156) = ( 0.4690889 0.5309111 -0.4690889), wk = 0.0033557 k( 157) = ( 0.4613612 0.5386388 -0.4613612), wk = 0.0033557 k( 158) = ( 0.4536334 0.5463666 -0.4536334), wk = 0.0033557 k( 159) = ( 0.4459056 0.5540944 -0.4459056), wk = 0.0033557 k( 160) = ( 0.4381779 0.5618221 -0.4381779), wk = 0.0033557 k( 161) = ( 0.4304501 0.5695499 -0.4304501), wk = 0.0033557 k( 162) = ( 0.4227223 0.5772777 -0.4227223), wk = 0.0033557 k( 163) = ( 0.4149946 0.5850054 -0.4149946), wk = 0.0033557 k( 164) = ( 0.4072668 0.5927332 -0.4072668), wk = 0.0033557 k( 165) = ( 0.3995390 0.6004610 -0.3995390), wk = 0.0033557 k( 166) = ( 0.3918113 0.6081887 -0.3918113), wk = 0.0033557 k( 167) = ( 0.3840835 0.6159165 -0.3840835), wk = 0.0033557 k( 168) = ( 0.3763557 0.6236443 -0.3763558), wk = 0.0033557 k( 169) = ( 0.3686280 0.6313720 -0.3686280), wk = 0.0033557 k( 170) = ( 0.3609002 0.6390998 -0.3609002), wk = 0.0033557 k( 171) = ( 0.3531725 0.6468275 -0.3531724), wk = 0.0033557 k( 172) = ( 0.3454447 0.6545553 -0.3454447), wk = 0.0033557 k( 173) = ( 0.3377169 0.6622831 -0.3377169), wk = 0.0033557 k( 174) = ( 0.3299892 0.6700108 -0.3299892), wk = 0.0033557 k( 175) = ( 0.3222614 0.6777386 -0.3222614), wk = 0.0033557 k( 176) = ( 0.3145336 0.6854664 -0.3145336), wk = 0.0033557 k( 177) = ( 0.3068058 0.6931941 -0.3068058), wk = 0.0033557 k( 178) = ( 0.2990781 0.7009219 -0.2990781), wk = 0.0033557 k( 179) = ( 0.2990781 0.7009219 -0.2990781), wk = 0.0033557 k( 180) = ( 0.2803857 0.6883643 -0.2803857), wk = 0.0033557 k( 181) = ( 0.2616933 0.6758067 -0.2616933), wk = 0.0033557 k( 182) = ( 0.2430009 0.6632490 -0.2430009), wk = 0.0033557 k( 183) = ( 0.2243086 0.6506914 -0.2243086), wk = 0.0033557 k( 184) = ( 0.2056162 0.6381338 -0.2056162), wk = 0.0033557 k( 185) = ( 0.1869238 0.6255762 -0.1869238), wk = 0.0033557 k( 186) = ( 0.1682314 0.6130186 -0.1682314), wk = 0.0033557 k( 187) = ( 0.1495390 0.6004610 -0.1495390), wk = 0.0033557 k( 188) = ( 0.1308467 0.5879033 -0.1308467), wk = 0.0033557 k( 189) = ( 0.1121543 0.5753457 -0.1121543), wk = 0.0033557 k( 190) = ( 0.0934619 0.5627881 -0.0934619), wk = 0.0033557 k( 191) = ( 0.0747695 0.5502305 -0.0747695), wk = 0.0033557 k( 192) = ( 0.0560771 0.5376729 -0.0560771), wk = 0.0033557 k( 193) = ( 0.0373848 0.5251152 -0.0373848), wk = 0.0033557 k( 194) = ( 0.0186924 0.5125576 -0.0186924), wk = 0.0033557 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557 k( 196) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557 k( 197) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0033557 k( 198) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0033557 k( 199) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0033557 k( 200) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0033557 k( 201) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0033557 k( 202) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0033557 k( 203) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0033557 k( 204) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0033557 k( 205) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0033557 k( 206) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0033557 k( 207) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0033557 k( 208) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0033557 k( 209) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0033557 k( 210) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0033557 k( 211) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0033557 k( 212) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0033557 k( 213) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0033557 k( 214) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0033557 k( 215) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0033557 k( 216) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0033557 k( 217) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0033557 k( 218) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0033557 k( 219) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0033557 k( 220) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0033557 k( 221) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0033557 k( 222) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0033557 k( 223) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0033557 k( 224) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0033557 k( 225) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0033557 k( 226) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0033557 k( 227) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0033557 k( 228) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033557 k( 229) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033557 k( 230) = ( 0.2647059 0.2647059 0.2295202), wk = 0.0033557 k( 231) = ( 0.2794118 0.2794118 0.2090405), wk = 0.0033557 k( 232) = ( 0.2941177 0.2941176 0.1885607), wk = 0.0033557 k( 233) = ( 0.3088235 0.3088235 0.1680809), wk = 0.0033557 k( 234) = ( 0.3235294 0.3235294 0.1476011), wk = 0.0033557 k( 235) = ( 0.3382353 0.3382353 0.1271213), wk = 0.0033557 k( 236) = ( 0.3529412 0.3529412 0.1066416), wk = 0.0033557 k( 237) = ( 0.3676471 0.3676471 0.0861618), wk = 0.0033557 k( 238) = ( 0.3823529 0.3823529 0.0656820), wk = 0.0033557 k( 239) = ( 0.3970588 0.3970588 0.0452022), wk = 0.0033557 k( 240) = ( 0.4117647 0.4117647 0.0247225), wk = 0.0033557 k( 241) = ( 0.4264706 0.4264706 0.0042427), wk = 0.0033557 k( 242) = ( 0.4411765 0.4411765 -0.0162371), wk = 0.0033557 k( 243) = ( 0.4558823 0.4558823 -0.0367168), wk = 0.0033557 k( 244) = ( 0.4705882 0.4705882 -0.0571966), wk = 0.0033557 k( 245) = ( 0.4852941 0.4852941 -0.0776764), wk = 0.0033557 k( 246) = ( 0.5000000 0.5000000 -0.0981562), wk = 0.0033557 k( 247) = ( 0.5000000 0.5000000 -0.0981562), wk = 0.0033557 k( 248) = ( 0.5000000 0.5000000 -0.1093185), wk = 0.0033557 k( 249) = ( 0.5000000 0.5000000 -0.1204808), wk = 0.0033557 k( 250) = ( 0.5000000 0.5000000 -0.1316432), wk = 0.0033557 k( 251) = ( 0.5000000 0.5000000 -0.1428055), wk = 0.0033557 k( 252) = ( 0.5000000 0.5000000 -0.1539678), wk = 0.0033557 k( 253) = ( 0.5000000 0.5000000 -0.1651301), wk = 0.0033557 k( 254) = ( 0.5000000 0.5000000 -0.1762925), wk = 0.0033557 k( 255) = ( 0.5000000 0.5000000 -0.1874548), wk = 0.0033557 k( 256) = ( 0.5000000 0.5000000 -0.1986171), wk = 0.0033557 k( 257) = ( 0.5000000 0.5000000 -0.2097795), wk = 0.0033557 k( 258) = ( 0.5000000 0.5000000 -0.2209418), wk = 0.0033557 k( 259) = ( 0.5000000 0.5000000 -0.2321041), wk = 0.0033557 k( 260) = ( 0.5000000 0.5000000 -0.2432664), wk = 0.0033557 k( 261) = ( 0.5000000 0.5000000 -0.2544288), wk = 0.0033557 k( 262) = ( 0.5000000 0.5000000 -0.2655911), wk = 0.0033557 k( 263) = ( 0.5000000 0.5000000 -0.2767534), wk = 0.0033557 k( 264) = ( 0.5000000 0.5000000 -0.2879158), wk = 0.0033557 k( 265) = ( 0.5000000 0.5000000 -0.2990781), wk = 0.0033557 k( 266) = ( 0.5000000 0.5000000 -0.3102404), wk = 0.0033557 k( 267) = ( 0.5000000 0.5000000 -0.3214027), wk = 0.0033557 k( 268) = ( 0.5000000 0.5000000 -0.3325651), wk = 0.0033557 k( 269) = ( 0.5000000 0.5000000 -0.3437274), wk = 0.0033557 k( 270) = ( 0.5000000 0.5000000 -0.3548897), wk = 0.0033557 k( 271) = ( 0.5000000 0.5000000 -0.3660521), wk = 0.0033557 k( 272) = ( 0.5000000 0.5000000 -0.3772144), wk = 0.0033557 k( 273) = ( 0.5000000 0.5000000 -0.3883767), wk = 0.0033557 k( 274) = ( 0.5000000 0.5000000 -0.3995390), wk = 0.0033557 k( 275) = ( 0.5000000 0.5000000 -0.4107014), wk = 0.0033557 k( 276) = ( 0.5000000 0.5000000 -0.4218637), wk = 0.0033557 k( 277) = ( 0.5000000 0.5000000 -0.4330260), wk = 0.0033557 k( 278) = ( 0.5000000 0.5000000 -0.4441884), wk = 0.0033557 k( 279) = ( 0.5000000 0.5000000 -0.4553507), wk = 0.0033557 k( 280) = ( 0.5000000 0.5000000 -0.4665130), wk = 0.0033557 k( 281) = ( 0.5000000 0.5000000 -0.4776753), wk = 0.0033557 k( 282) = ( 0.5000000 0.5000000 -0.4888377), wk = 0.0033557 k( 283) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033557 k( 284) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 285) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0033557 k( 286) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0033557 k( 287) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0033557 k( 288) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0033557 k( 289) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0033557 k( 290) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0033557 k( 291) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033557 k( 292) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0033557 k( 293) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0033557 k( 294) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0033557 k( 295) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0033557 k( 296) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0033557 k( 297) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0033557 k( 298) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033557 Dense grid: 94717 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 71291 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 510, 40) NL pseudopotentials 0.44 Mb ( 255, 112) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.02 Mb ( 2632) G-vector shells 0.01 Mb ( 1189) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 510, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 112, 2, 40) The potential is recalculated from file : ./NaAlH4.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.2 secs Computing kpt #: 22 total cpu time spent up to now is 14.8 secs Computing kpt #: 23 total cpu time spent up to now is 15.5 secs Computing kpt #: 24 total cpu time spent up to now is 16.1 secs Computing kpt #: 25 total cpu time spent up to now is 16.8 secs Computing kpt #: 26 total cpu time spent up to now is 17.5 secs Computing kpt #: 27 total cpu time spent up to now is 18.2 secs Computing kpt #: 28 total cpu time spent up to now is 18.8 secs Computing kpt #: 29 total cpu time spent up to now is 19.5 secs Computing kpt #: 30 total cpu time spent up to now is 20.2 secs Computing kpt #: 31 total cpu time spent up to now is 20.9 secs Computing kpt #: 32 total cpu time spent up to now is 21.7 secs Computing kpt #: 33 total cpu time spent up to now is 22.5 secs Computing kpt #: 34 total cpu time spent up to now is 23.2 secs Computing kpt #: 35 total cpu time spent up to now is 23.8 secs Computing kpt #: 36 total cpu time spent up to now is 24.5 secs Computing kpt #: 37 total cpu time spent up to now is 25.1 secs Computing kpt #: 38 total cpu time spent up to now is 25.7 secs Computing kpt #: 39 total cpu time spent up to now is 26.3 secs Computing kpt #: 40 total cpu time spent up to now is 26.9 secs Computing kpt #: 41 total cpu time spent up to now is 27.5 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 29.9 secs Computing kpt #: 46 total cpu time spent up to now is 30.5 secs Computing kpt #: 47 total cpu time spent up to now is 31.1 secs Computing kpt #: 48 total cpu time spent up to now is 31.7 secs Computing kpt #: 49 total cpu time spent up to now is 32.3 secs Computing kpt #: 50 total cpu time spent up to now is 32.9 secs Computing kpt #: 51 total cpu time spent up to now is 33.5 secs Computing kpt #: 52 total cpu time spent up to now is 34.1 secs Computing kpt #: 53 total cpu time spent up to now is 34.7 secs Computing kpt #: 54 total cpu time spent up to now is 35.2 secs Computing kpt #: 55 total cpu time spent up to now is 35.8 secs Computing kpt #: 56 total cpu time spent up to now is 36.4 secs Computing kpt #: 57 total cpu time spent up to now is 37.0 secs Computing kpt #: 58 total cpu time spent up to now is 37.6 secs Computing kpt #: 59 total cpu time spent up to now is 38.2 secs Computing kpt #: 60 total cpu time spent up to now is 38.8 secs Computing kpt #: 61 total cpu time spent up to now is 39.4 secs Computing kpt #: 62 total cpu time spent up to now is 40.0 secs Computing kpt #: 63 total cpu time spent up to now is 40.6 secs Computing kpt #: 64 total cpu time spent up to now is 41.2 secs Computing kpt #: 65 total cpu time spent up to now is 41.9 secs Computing kpt #: 66 total cpu time spent up to now is 42.5 secs Computing kpt #: 67 total cpu time spent up to now is 43.2 secs Computing kpt #: 68 total cpu time spent up to now is 43.8 secs Computing kpt #: 69 total cpu time spent up to now is 44.5 secs Computing kpt #: 70 total cpu time spent up to now is 45.1 secs Computing kpt #: 71 total cpu time spent up to now is 45.7 secs Computing kpt #: 72 total cpu time spent up to now is 46.4 secs Computing kpt #: 73 total cpu time spent up to now is 47.1 secs Computing kpt #: 74 total cpu time spent up to now is 47.7 secs Computing kpt #: 75 total cpu time spent up to now is 48.4 secs Computing kpt #: 76 total cpu time spent up to now is 49.1 secs Computing kpt #: 77 total cpu time spent up to now is 49.7 secs Computing kpt #: 78 total cpu time spent up to now is 50.4 secs Computing kpt #: 79 total cpu time spent up to now is 51.0 secs Computing kpt #: 80 total cpu time spent up to now is 51.7 secs Computing kpt #: 81 total cpu time spent up to now is 52.3 secs Computing kpt #: 82 total cpu time spent up to now is 52.9 secs Computing kpt #: 83 total cpu time spent up to now is 53.6 secs Computing kpt #: 84 total cpu time spent up to now is 54.2 secs Computing kpt #: 85 total cpu time spent up to now is 54.9 secs Computing kpt #: 86 total cpu time spent up to now is 55.5 secs Computing kpt #: 87 total cpu time spent up to now is 56.2 secs Computing kpt #: 88 total cpu time spent up to now is 56.8 secs Computing kpt #: 89 total cpu time spent up to now is 57.5 secs Computing kpt #: 90 total cpu time spent up to now is 58.2 secs Computing kpt #: 91 total cpu time spent up to now is 58.8 secs Computing kpt #: 92 total cpu time spent up to now is 59.5 secs Computing kpt #: 93 total cpu time spent up to now is 60.3 secs Computing kpt #: 94 total cpu time spent up to now is 61.0 secs Computing kpt #: 95 total cpu time spent up to now is 61.6 secs Computing kpt #: 96 total cpu time spent up to now is 62.3 secs Computing kpt #: 97 total cpu time spent up to now is 63.0 secs Computing kpt #: 98 total cpu time spent up to now is 63.7 secs Computing kpt #: 99 total cpu time spent up to now is 64.3 secs Computing kpt #: 100 total cpu time spent up to now is 65.0 secs Computing kpt #: 101 total cpu time spent up to now is 65.7 secs Computing kpt #: 102 total cpu time spent up to now is 66.4 secs Computing kpt #: 103 total cpu time spent up to now is 67.0 secs Computing kpt #: 104 total cpu time spent up to now is 67.7 secs Computing kpt #: 105 total cpu time spent up to now is 68.3 secs Computing kpt #: 106 total cpu time spent up to now is 69.0 secs Computing kpt #: 107 total cpu time spent up to now is 69.6 secs Computing kpt #: 108 total cpu time spent up to now is 70.2 secs Computing kpt #: 109 total cpu time spent up to now is 70.8 secs Computing kpt #: 110 total cpu time spent up to now is 71.5 secs Computing kpt #: 111 total cpu time spent up to now is 72.0 secs Computing kpt #: 112 total cpu time spent up to now is 72.6 secs Computing kpt #: 113 total cpu time spent up to now is 73.2 secs Computing kpt #: 114 total cpu time spent up to now is 73.8 secs Computing kpt #: 115 total cpu time spent up to now is 74.4 secs Computing kpt #: 116 total cpu time spent up to now is 75.0 secs Computing kpt #: 117 total cpu time spent up to now is 75.5 secs Computing kpt #: 118 total cpu time spent up to now is 76.1 secs Computing kpt #: 119 total cpu time spent up to now is 76.6 secs Computing kpt #: 120 total cpu time spent up to now is 77.2 secs Computing kpt #: 121 total cpu time spent up to now is 77.7 secs Computing kpt #: 122 total cpu time spent up to now is 78.3 secs Computing kpt #: 123 total cpu time spent up to now is 78.9 secs Computing kpt #: 124 total cpu time spent up to now is 79.4 secs Computing kpt #: 125 total cpu time spent up to now is 80.0 secs Computing kpt #: 126 total cpu time spent up to now is 80.6 secs Computing kpt #: 127 total cpu time spent up to now is 81.2 secs Computing kpt #: 128 total cpu time spent up to now is 81.8 secs Computing kpt #: 129 total cpu time spent up to now is 82.3 secs Computing kpt #: 130 total cpu time spent up to now is 83.0 secs Computing kpt #: 131 total cpu time spent up to now is 83.6 secs Computing kpt #: 132 total cpu time spent up to now is 84.2 secs Computing kpt #: 133 total cpu time spent up to now is 84.9 secs Computing kpt #: 134 total cpu time spent up to now is 85.5 secs Computing kpt #: 135 total cpu time spent up to now is 86.1 secs Computing kpt #: 136 total cpu time spent up to now is 86.8 secs Computing kpt #: 137 total cpu time spent up to now is 87.4 secs Computing kpt #: 138 total cpu time spent up to now is 88.1 secs Computing kpt #: 139 total cpu time spent up to now is 88.9 secs Computing kpt #: 140 total cpu time spent up to now is 89.6 secs Computing kpt #: 141 total cpu time spent up to now is 90.4 secs Computing kpt #: 142 total cpu time spent up to now is 91.0 secs Computing kpt #: 143 total cpu time spent up to now is 91.6 secs Computing kpt #: 144 total cpu time spent up to now is 92.3 secs Computing kpt #: 145 total cpu time spent up to now is 92.9 secs Computing kpt #: 146 total cpu time spent up to now is 93.5 secs Computing kpt #: 147 total cpu time spent up to now is 94.1 secs Computing kpt #: 148 total cpu time spent up to now is 94.7 secs Computing kpt #: 149 total cpu time spent up to now is 95.3 secs Computing kpt #: 150 total cpu time spent up to now is 95.9 secs Computing kpt #: 151 total cpu time spent up to now is 96.4 secs Computing kpt #: 152 total cpu time spent up to now is 97.0 secs Computing kpt #: 153 total cpu time spent up to now is 97.6 secs Computing kpt #: 154 total cpu time spent up to now is 98.2 secs Computing kpt #: 155 total cpu time spent up to now is 98.8 secs Computing kpt #: 156 total cpu time spent up to now is 99.3 secs Computing kpt #: 157 total cpu time spent up to now is 99.9 secs Computing kpt #: 158 total cpu time spent up to now is 100.5 secs Computing kpt #: 159 total cpu time spent up to now is 101.1 secs Computing kpt #: 160 total cpu time spent up to now is 101.7 secs Computing kpt #: 161 total cpu time spent up to now is 102.3 secs Computing kpt #: 162 total cpu time spent up to now is 102.8 secs Computing kpt #: 163 total cpu time spent up to now is 103.4 secs Computing kpt #: 164 total cpu time spent up to now is 104.0 secs Computing kpt #: 165 total cpu time spent up to now is 104.6 secs Computing kpt #: 166 total cpu time spent up to now is 105.2 secs Computing kpt #: 167 total cpu time spent up to now is 105.8 secs Computing kpt #: 168 total cpu time spent up to now is 106.4 secs Computing kpt #: 169 total cpu time spent up to now is 107.0 secs Computing kpt #: 170 total cpu time spent up to now is 107.7 secs Computing kpt #: 171 total cpu time spent up to now is 108.3 secs Computing kpt #: 172 total cpu time spent up to now is 108.9 secs Computing kpt #: 173 total cpu time spent up to now is 109.5 secs Computing kpt #: 174 total cpu time spent up to now is 110.1 secs Computing kpt #: 175 total cpu time spent up to now is 110.7 secs Computing kpt #: 176 total cpu time spent up to now is 111.3 secs Computing kpt #: 177 total cpu time spent up to now is 112.0 secs Computing kpt #: 178 total cpu time spent up to now is 112.6 secs Computing kpt #: 179 total cpu time spent up to now is 113.3 secs Computing kpt #: 180 total cpu time spent up to now is 113.9 secs Computing kpt #: 181 total cpu time spent up to now is 114.6 secs Computing kpt #: 182 total cpu time spent up to now is 115.2 secs Computing kpt #: 183 total cpu time spent up to now is 115.8 secs Computing kpt #: 184 total cpu time spent up to now is 116.4 secs Computing kpt #: 185 total cpu time spent up to now is 117.0 secs Computing kpt #: 186 total cpu time spent up to now is 117.7 secs Computing kpt #: 187 total cpu time spent up to now is 118.3 secs Computing kpt #: 188 total cpu time spent up to now is 118.9 secs Computing kpt #: 189 total cpu time spent up to now is 119.5 secs Computing kpt #: 190 total cpu time spent up to now is 120.1 secs Computing kpt #: 191 total cpu time spent up to now is 120.7 secs Computing kpt #: 192 total cpu time spent up to now is 121.3 secs Computing kpt #: 193 total cpu time spent up to now is 121.9 secs Computing kpt #: 194 total cpu time spent up to now is 122.5 secs Computing kpt #: 195 total cpu time spent up to now is 123.1 secs Computing kpt #: 196 total cpu time spent up to now is 123.7 secs Computing kpt #: 197 total cpu time spent up to now is 124.2 secs Computing kpt #: 198 total cpu time spent up to now is 124.8 secs Computing kpt #: 199 total cpu time spent up to now is 125.4 secs Computing kpt #: 200 total cpu time spent up to now is 126.0 secs Computing kpt #: 201 total cpu time spent up to now is 126.7 secs Computing kpt #: 202 total cpu time spent up to now is 127.3 secs Computing kpt #: 203 total cpu time spent up to now is 127.9 secs Computing kpt #: 204 total cpu time spent up to now is 128.6 secs Computing kpt #: 205 total cpu time spent up to now is 129.2 secs Computing kpt #: 206 total cpu time spent up to now is 129.8 secs Computing kpt #: 207 total cpu time spent up to now is 130.5 secs Computing kpt #: 208 total cpu time spent up to now is 131.1 secs Computing kpt #: 209 total cpu time spent up to now is 131.8 secs Computing kpt #: 210 total cpu time spent up to now is 132.4 secs Computing kpt #: 211 total cpu time spent up to now is 133.1 secs Computing kpt #: 212 total cpu time spent up to now is 133.8 secs Computing kpt #: 213 total cpu time spent up to now is 134.4 secs Computing kpt #: 214 total cpu time spent up to now is 135.1 secs Computing kpt #: 215 total cpu time spent up to now is 135.7 secs Computing kpt #: 216 total cpu time spent up to now is 136.3 secs Computing kpt #: 217 total cpu time spent up to now is 137.0 secs Computing kpt #: 218 total cpu time spent up to now is 137.6 secs Computing kpt #: 219 total cpu time spent up to now is 138.2 secs Computing kpt #: 220 total cpu time spent up to now is 138.8 secs Computing kpt #: 221 total cpu time spent up to now is 139.5 secs Computing kpt #: 222 total cpu time spent up to now is 140.3 secs Computing kpt #: 223 total cpu time spent up to now is 141.1 secs Computing kpt #: 224 total cpu time spent up to now is 141.7 secs Computing kpt #: 225 total cpu time spent up to now is 142.2 secs Computing kpt #: 226 total cpu time spent up to now is 142.8 secs Computing kpt #: 227 total cpu time spent up to now is 143.4 secs Computing kpt #: 228 total cpu time spent up to now is 143.9 secs Computing kpt #: 229 total cpu time spent up to now is 144.5 secs Computing kpt #: 230 total cpu time spent up to now is 145.0 secs Computing kpt #: 231 total cpu time spent up to now is 145.6 secs Computing kpt #: 232 total cpu time spent up to now is 146.2 secs Computing kpt #: 233 total cpu time spent up to now is 146.7 secs Computing kpt #: 234 total cpu time spent up to now is 147.3 secs Computing kpt #: 235 total cpu time spent up to now is 147.9 secs Computing kpt #: 236 total cpu time spent up to now is 148.5 secs Computing kpt #: 237 total cpu time spent up to now is 149.1 secs Computing kpt #: 238 total cpu time spent up to now is 149.7 secs Computing kpt #: 239 total cpu time spent up to now is 150.3 secs Computing kpt #: 240 total cpu time spent up to now is 150.9 secs Computing kpt #: 241 total cpu time spent up to now is 151.5 secs Computing kpt #: 242 total cpu time spent up to now is 152.1 secs Computing kpt #: 243 total cpu time spent up to now is 152.7 secs Computing kpt #: 244 total cpu time spent up to now is 153.3 secs Computing kpt #: 245 total cpu time spent up to now is 153.9 secs Computing kpt #: 246 total cpu time spent up to now is 154.5 secs Computing kpt #: 247 total cpu time spent up to now is 155.1 secs Computing kpt #: 248 total cpu time spent up to now is 155.7 secs Computing kpt #: 249 total cpu time spent up to now is 156.3 secs Computing kpt #: 250 total cpu time spent up to now is 156.9 secs Computing kpt #: 251 total cpu time spent up to now is 157.5 secs Computing kpt #: 252 total cpu time spent up to now is 158.1 secs Computing kpt #: 253 total cpu time spent up to now is 158.7 secs Computing kpt #: 254 total cpu time spent up to now is 159.3 secs Computing kpt #: 255 total cpu time spent up to now is 159.9 secs Computing kpt #: 256 total cpu time spent up to now is 160.6 secs Computing kpt #: 257 total cpu time spent up to now is 161.2 secs Computing kpt #: 258 total cpu time spent up to now is 161.8 secs Computing kpt #: 259 total cpu time spent up to now is 162.4 secs Computing kpt #: 260 total cpu time spent up to now is 163.1 secs Computing kpt #: 261 total cpu time spent up to now is 163.7 secs Computing kpt #: 262 total cpu time spent up to now is 164.3 secs Computing kpt #: 263 total cpu time spent up to now is 164.9 secs Computing kpt #: 264 total cpu time spent up to now is 165.5 secs Computing kpt #: 265 total cpu time spent up to now is 166.1 secs Computing kpt #: 266 total cpu time spent up to now is 166.8 secs Computing kpt #: 267 total cpu time spent up to now is 167.4 secs Computing kpt #: 268 total cpu time spent up to now is 168.0 secs Computing kpt #: 269 total cpu time spent up to now is 168.6 secs Computing kpt #: 270 total cpu time spent up to now is 169.2 secs Computing kpt #: 271 total cpu time spent up to now is 169.8 secs Computing kpt #: 272 total cpu time spent up to now is 170.4 secs Computing kpt #: 273 total cpu time spent up to now is 171.0 secs Computing kpt #: 274 total cpu time spent up to now is 171.6 secs Computing kpt #: 275 total cpu time spent up to now is 172.1 secs Computing kpt #: 276 total cpu time spent up to now is 172.7 secs Computing kpt #: 277 total cpu time spent up to now is 173.3 secs Computing kpt #: 278 total cpu time spent up to now is 173.9 secs Computing kpt #: 279 total cpu time spent up to now is 174.5 secs Computing kpt #: 280 total cpu time spent up to now is 175.1 secs Computing kpt #: 281 total cpu time spent up to now is 175.7 secs Computing kpt #: 282 total cpu time spent up to now is 176.3 secs Computing kpt #: 283 total cpu time spent up to now is 176.8 secs Computing kpt #: 284 total cpu time spent up to now is 177.4 secs Computing kpt #: 285 total cpu time spent up to now is 178.0 secs Computing kpt #: 286 total cpu time spent up to now is 178.6 secs Computing kpt #: 287 total cpu time spent up to now is 179.2 secs Computing kpt #: 288 total cpu time spent up to now is 179.8 secs Computing kpt #: 289 total cpu time spent up to now is 180.4 secs Computing kpt #: 290 total cpu time spent up to now is 181.0 secs Computing kpt #: 291 total cpu time spent up to now is 181.6 secs Computing kpt #: 292 total cpu time spent up to now is 182.2 secs Computing kpt #: 293 total cpu time spent up to now is 182.7 secs Computing kpt #: 294 total cpu time spent up to now is 183.3 secs Computing kpt #: 295 total cpu time spent up to now is 183.9 secs Computing kpt #: 296 total cpu time spent up to now is 184.4 secs Computing kpt #: 297 total cpu time spent up to now is 185.0 secs Computing kpt #: 298 total cpu time spent up to now is 185.6 secs ethr = 3.13E-08, avg # of iterations = 17.1 total cpu time spent up to now is 185.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8923 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1125 -22.1125 -21.9533 -21.9533 -21.9418 -21.9418 -21.9264 -21.9264 -21.9221 -21.9221 -7.1111 -7.1111 -4.4297 -4.4297 -2.8130 -2.8130 -2.8086 -2.8086 -1.7747 -1.7747 0.2795 0.2795 0.2864 0.2864 2.2313 2.2313 3.5673 3.5673 4.2241 4.2241 4.3438 4.3438 5.1131 5.1131 k = 0.0000 0.0000 0.0209 ( 8923 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1125 -22.1125 -21.9532 -21.9532 -21.9418 -21.9418 -21.9264 -21.9264 -21.9221 -21.9221 -7.1102 -7.1102 -4.4294 -4.4294 -2.8165 -2.8165 -2.8109 -2.8109 -1.7706 -1.7706 0.2783 0.2783 0.2854 0.2854 2.2307 2.2307 3.5700 3.5700 4.2255 4.2255 4.3476 4.3476 5.1159 5.1159 k = 0.0000 0.0000 0.0419 ( 8943 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1126 -22.1126 -21.9532 -21.9532 -21.9419 -21.9419 -21.9264 -21.9264 -21.9222 -21.9222 -7.1074 -7.1074 -4.4285 -4.4285 -2.8297 -2.8297 -2.8151 -2.8151 -1.7587 -1.7587 0.2740 0.2740 0.2830 0.2830 2.2291 2.2291 3.5779 3.5779 4.2295 4.2295 4.3592 4.3592 5.1239 5.1239 k = 0.0000 0.0000 0.0628 ( 8955 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1126 -22.1126 -21.9532 -21.9532 -21.9419 -21.9419 -21.9264 -21.9264 -21.9222 -21.9222 -7.1027 -7.1027 -4.4269 -4.4269 -2.8520 -2.8520 -2.8210 -2.8210 -1.7394 -1.7394 0.2660 0.2660 0.2803 0.2803 2.2262 2.2262 3.5911 3.5911 4.2364 4.2364 4.3784 4.3784 5.1372 5.1372 k = 0.0000 0.0000 0.0837 ( 8975 PWs) bands (ev): -50.0753 -50.0753 -50.0742 -50.0742 -22.1221 -22.1221 -22.1127 -22.1127 -21.9532 -21.9532 -21.9420 -21.9420 -21.9264 -21.9264 -21.9223 -21.9223 -7.0962 -7.0962 -4.4248 -4.4248 -2.8821 -2.8821 -2.8292 -2.8292 -1.7137 -1.7137 0.2543 0.2543 0.2771 0.2771 2.2219 2.2219 3.6095 3.6095 4.2462 4.2462 4.4050 4.4050 5.1556 5.1556 k = 0.0000 0.0000 0.1046 ( 8963 PWs) bands (ev): -50.0753 -50.0753 -50.0742 -50.0742 -22.1220 -22.1220 -22.1127 -22.1127 -21.9532 -21.9532 -21.9420 -21.9420 -21.9264 -21.9264 -21.9223 -21.9223 -7.0878 -7.0878 -4.4220 -4.4220 -2.9189 -2.9189 -2.8394 -2.8394 -1.6824 -1.6824 0.2393 0.2393 0.2735 0.2735 2.2160 2.2160 3.6329 3.6329 4.2591 4.2591 4.4386 4.4386 5.1787 5.1787 k = 0.0000 0.0000 0.1256 ( 8967 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1220 -22.1220 -22.1128 -22.1128 -21.9531 -21.9531 -21.9421 -21.9421 -21.9264 -21.9264 -21.9223 -21.9223 -7.0775 -7.0775 -4.4187 -4.4187 -2.9615 -2.9615 -2.8518 -2.8518 -1.6466 -1.6466 0.2214 0.2214 0.2694 0.2694 2.2083 2.2083 3.6614 3.6614 4.2752 4.2752 4.4791 4.4791 5.2062 5.2062 k = 0.0000 0.0000 0.1465 ( 8971 PWs) bands (ev): -50.0753 -50.0753 -50.0743 -50.0743 -22.1220 -22.1220 -22.1128 -22.1128 -21.9531 -21.9531 -21.9422 -21.9422 -21.9264 -21.9264 -21.9223 -21.9223 -7.0655 -7.0655 -4.4148 -4.4148 -3.0089 -3.0089 -2.8662 -2.8662 -1.6071 -1.6071 0.2008 0.2008 0.2649 0.2649 2.1985 2.1985 3.6946 3.6946 4.2948 4.2948 4.5259 4.5259 5.2375 5.2375 k = 0.0000 0.0000 0.1674 ( 8959 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1219 -22.1219 -22.1129 -22.1129 -21.9530 -21.9530 -21.9422 -21.9422 -21.9264 -21.9264 -21.9223 -21.9223 -7.0516 -7.0516 -4.4102 -4.4102 -3.0603 -3.0603 -2.8826 -2.8826 -1.5646 -1.5646 0.1780 0.1780 0.2600 0.2600 2.1862 2.1862 3.7324 3.7324 4.3181 4.3181 4.5786 4.5786 5.2721 5.2721 k = 0.0000 0.0000 0.1883 ( 8957 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1219 -22.1219 -22.1129 -22.1129 -21.9530 -21.9530 -21.9423 -21.9423 -21.9264 -21.9264 -21.9223 -21.9223 -7.0359 -7.0359 -4.4051 -4.4051 -3.1151 -3.1151 -2.9008 -2.9008 -1.5197 -1.5197 0.1531 0.1531 0.2550 0.2550 2.1713 2.1713 3.7746 3.7746 4.3453 4.3453 4.6367 4.6367 5.3091 5.3091 k = 0.0000 0.0000 0.2093 ( 8945 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1218 -22.1218 -22.1129 -22.1129 -21.9529 -21.9529 -21.9423 -21.9423 -21.9263 -21.9263 -21.9223 -21.9223 -7.0184 -7.0184 -4.3995 -4.3995 -3.1726 -3.1726 -2.9208 -2.9208 -1.4729 -1.4729 0.1266 0.1266 0.2498 0.2498 2.1533 2.1533 3.8209 3.8209 4.3767 4.3767 4.6996 4.6996 5.3475 5.3475 k = 0.0000 0.0000 0.2302 ( 8947 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1218 -22.1218 -22.1130 -22.1130 -21.9529 -21.9529 -21.9424 -21.9424 -21.9263 -21.9263 -21.9224 -21.9224 -6.9991 -6.9991 -4.3933 -4.3933 -3.2325 -3.2325 -2.9423 -2.9423 -1.4246 -1.4246 0.0988 0.0988 0.2447 0.2447 2.1322 2.1322 3.8709 3.8709 4.4123 4.4123 4.7665 4.7665 5.3862 5.3862 k = 0.0000 0.0000 0.2511 ( 8943 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1217 -22.1217 -22.1131 -22.1131 -21.9528 -21.9528 -21.9425 -21.9425 -21.9262 -21.9262 -21.9224 -21.9224 -6.9781 -6.9781 -4.3865 -4.3865 -3.2942 -3.2942 -2.9654 -2.9654 -1.3752 -1.3752 0.0700 0.0700 0.2398 0.2398 2.1077 2.1077 3.9243 3.9243 4.4524 4.4524 4.8367 4.8367 5.4239 5.4239 k = 0.0000 0.0000 0.2720 ( 8939 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1216 -22.1216 -22.1132 -22.1132 -21.9527 -21.9527 -21.9426 -21.9426 -21.9262 -21.9262 -21.9224 -21.9224 -6.9554 -6.9554 -4.3792 -4.3792 -3.3576 -3.3576 -2.9898 -2.9898 -1.3249 -1.3249 0.0405 0.0405 0.2353 0.2353 2.0797 2.0797 3.9805 3.9805 4.4971 4.4971 4.9092 4.9092 5.4589 5.4589 k = 0.0000 0.0000 0.2930 ( 8947 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1216 -22.1216 -22.1133 -22.1133 -21.9527 -21.9527 -21.9428 -21.9428 -21.9262 -21.9262 -21.9225 -21.9225 -6.9309 -6.9309 -4.3714 -4.3714 -3.4224 -3.4224 -3.0154 -3.0154 -1.2739 -1.2739 0.0106 0.0106 0.2312 0.2312 2.0481 2.0481 4.0390 4.0390 4.5465 4.5465 4.9827 4.9827 5.4900 5.4900 k = 0.0000 0.0000 0.3139 ( 8941 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1215 -22.1215 -22.1134 -22.1134 -21.9526 -21.9526 -21.9429 -21.9429 -21.9261 -21.9261 -21.9226 -21.9226 -6.9047 -6.9047 -4.3631 -4.3631 -3.4882 -3.4882 -3.0422 -3.0422 -1.2223 -1.2223 -0.0194 -0.0194 0.2277 0.2277 2.0129 2.0129 4.0990 4.0990 4.6006 4.6006 5.0553 5.0553 5.5161 5.5161 k = 0.0000 0.0000 0.3348 ( 8947 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1215 -22.1215 -22.1135 -22.1135 -21.9525 -21.9525 -21.9430 -21.9430 -21.9261 -21.9261 -21.9226 -21.9226 -6.8769 -6.8769 -4.3543 -4.3543 -3.5549 -3.5549 -3.0699 -3.0699 -1.1704 -1.1704 -0.0493 -0.0493 0.2250 0.2250 1.9743 1.9743 4.1597 4.1597 4.6593 4.6593 5.1242 5.1242 5.5373 5.5373 k = 0.0000 0.0000 0.3557 ( 8951 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1214 -22.1214 -22.1136 -22.1136 -21.9524 -21.9524 -21.9431 -21.9431 -21.9261 -21.9261 -21.9227 -21.9227 -6.8474 -6.8474 -4.3450 -4.3450 -3.6224 -3.6224 -3.0985 -3.0985 -1.1183 -1.1183 -0.0787 -0.0787 0.2231 0.2231 1.9323 1.9323 4.2199 4.2199 4.7227 4.7227 5.1848 5.1848 5.5561 5.5561 k = 0.0000 0.0000 0.3767 ( 8943 PWs) bands (ev): -50.0751 -50.0751 -50.0743 -50.0743 -22.1213 -22.1213 -22.1137 -22.1137 -21.9523 -21.9523 -21.9433 -21.9433 -21.9260 -21.9260 -21.9227 -21.9227 -6.8163 -6.8163 -4.3353 -4.3353 -3.6905 -3.6905 -3.1279 -3.1279 -1.0661 -1.0661 -0.1075 -0.1075 0.2222 0.2222 1.8872 1.8872 4.2782 4.2782 4.7907 4.7907 5.2300 5.2300 5.5780 5.5780 k = 0.0000 0.0000 0.3976 ( 8937 PWs) bands (ev): -50.0751 -50.0751 -50.0743 -50.0743 -22.1212 -22.1212 -22.1138 -22.1138 -21.9522 -21.9522 -21.9434 -21.9434 -21.9260 -21.9260 -21.9227 -21.9227 -6.7837 -6.7837 -4.3250 -4.3250 -3.7590 -3.7590 -3.1579 -3.1579 -1.0140 -1.0140 -0.1354 -0.1354 0.2224 0.2224 1.8392 1.8392 4.3327 4.3327 4.8632 4.8632 5.2518 5.2518 5.6104 5.6104 k = 0.0000 0.0000 0.4185 ( 8933 PWs) bands (ev): -50.0751 -50.0751 -50.0743 -50.0743 -22.1211 -22.1211 -22.1139 -22.1139 -21.9521 -21.9521 -21.9435 -21.9435 -21.9259 -21.9259 -21.9228 -21.9228 -6.7495 -6.7495 -4.3144 -4.3144 -3.8279 -3.8279 -3.1883 -3.1883 -0.9619 -0.9619 -0.1623 -0.1623 0.2238 0.2238 1.7885 1.7885 4.3812 4.3812 4.9400 4.9400 5.2468 5.2468 5.6571 5.6571 k = 0.0000 0.0000 0.4394 ( 8929 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1210 -22.1210 -22.1140 -22.1140 -21.9520 -21.9520 -21.9437 -21.9437 -21.9259 -21.9259 -21.9228 -21.9228 -6.7137 -6.7137 -4.3033 -4.3033 -3.8970 -3.8970 -3.2192 -3.2192 -0.9102 -0.9102 -0.1879 -0.1879 0.2264 0.2264 1.7355 1.7355 4.4210 4.4210 5.0209 5.0209 5.2182 5.2182 5.7153 5.7153 k = 0.0000 0.0000 0.4604 ( 8937 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1209 -22.1209 -22.1141 -22.1141 -21.9519 -21.9519 -21.9439 -21.9439 -21.9258 -21.9258 -21.9229 -21.9229 -6.6765 -6.6765 -4.2917 -4.2917 -3.9663 -3.9663 -3.2504 -3.2504 -0.8589 -0.8589 -0.2122 -0.2122 0.2303 0.2303 1.6806 1.6806 4.4492 4.4492 5.1056 5.1056 5.1723 5.1723 5.7430 5.7430 k = 0.0000 0.0000 0.4813 ( 8941 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1208 -22.1208 -22.1143 -22.1143 -21.9517 -21.9517 -21.9441 -21.9441 -21.9258 -21.9258 -21.9230 -21.9230 -6.6379 -6.6379 -4.2797 -4.2797 -4.0357 -4.0357 -3.2818 -3.2818 -0.8082 -0.8082 -0.2349 -0.2349 0.2356 0.2356 1.6240 1.6240 4.4629 4.4629 5.1139 5.1139 5.1942 5.1942 5.7044 5.7044 k = 0.0000 0.0000 0.5022 ( 8938 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1207 -22.1207 -22.1144 -22.1144 -21.9516 -21.9516 -21.9442 -21.9442 -21.9257 -21.9257 -21.9230 -21.9230 -6.5978 -6.5978 -4.2673 -4.2673 -4.1052 -4.1052 -3.3134 -3.3134 -0.7582 -0.7582 -0.2559 -0.2559 0.2423 0.2423 1.5662 1.5662 4.4605 4.4605 5.0472 5.0472 5.2857 5.2857 5.6868 5.6868 k = 0.0000 0.0000 0.5231 ( 8946 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1206 -22.1206 -22.1146 -22.1146 -21.9515 -21.9515 -21.9444 -21.9444 -21.9257 -21.9257 -21.9231 -21.9231 -6.5564 -6.5564 -4.2545 -4.2545 -4.1745 -4.1745 -3.3449 -3.3449 -0.7092 -0.7092 -0.2752 -0.2752 0.2504 0.2504 1.5075 1.5075 4.4418 4.4418 4.9744 4.9744 5.3799 5.3799 5.6903 5.6903 k = 0.0000 0.0000 0.5441 ( 8948 PWs) bands (ev): -50.0750 -50.0750 -50.0744 -50.0744 -22.1205 -22.1205 -22.1147 -22.1147 -21.9514 -21.9514 -21.9446 -21.9446 -21.9256 -21.9256 -21.9232 -21.9232 -6.5136 -6.5136 -4.2443 -4.2443 -4.2408 -4.2408 -3.3764 -3.3764 -0.6613 -0.6613 -0.2926 -0.2926 0.2600 0.2600 1.4484 1.4484 4.4086 4.4086 4.8975 4.8975 5.4760 5.4760 5.7135 5.7135 k = 0.0000 0.0000 0.5650 ( 8936 PWs) bands (ev): -50.0750 -50.0750 -50.0744 -50.0744 -22.1203 -22.1203 -22.1149 -22.1149 -21.9512 -21.9512 -21.9447 -21.9447 -21.9255 -21.9255 -21.9233 -21.9233 -6.4696 -6.4696 -4.3130 -4.3130 -4.2276 -4.2276 -3.4078 -3.4078 -0.6147 -0.6147 -0.3080 -0.3080 0.2709 0.2709 1.3892 1.3892 4.3636 4.3636 4.8180 4.8180 5.5729 5.5729 5.7542 5.7542 k = 0.0000 0.0000 0.5859 ( 8932 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1202 -22.1202 -22.1150 -22.1150 -21.9511 -21.9511 -21.9449 -21.9449 -21.9255 -21.9255 -21.9233 -21.9233 -6.4242 -6.4242 -4.3820 -4.3820 -4.2135 -4.2135 -3.4391 -3.4391 -0.5698 -0.5698 -0.3214 -0.3214 0.2833 0.2833 1.3303 1.3303 4.3101 4.3101 4.7369 4.7369 5.6688 5.6688 5.8101 5.8101 k = 0.0000 0.0000 0.6069 ( 8938 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1201 -22.1201 -22.1152 -22.1152 -21.9509 -21.9509 -21.9451 -21.9451 -21.9254 -21.9254 -21.9234 -21.9234 -6.3777 -6.3777 -4.4508 -4.4508 -4.1990 -4.1990 -3.4701 -3.4701 -0.5267 -0.5267 -0.3327 -0.3327 0.2970 0.2970 1.2721 1.2721 4.2512 4.2512 4.6552 4.6552 5.7610 5.7610 5.8801 5.8801 k = 0.0000 0.0000 0.6278 ( 8944 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1200 -22.1200 -22.1154 -22.1154 -21.9508 -21.9508 -21.9453 -21.9453 -21.9253 -21.9253 -21.9235 -21.9235 -6.3300 -6.3300 -4.5192 -4.5192 -4.1841 -4.1841 -3.5008 -3.5008 -0.4858 -0.4858 -0.3419 -0.3419 0.3120 0.3120 1.2149 1.2149 4.1895 4.1895 4.5736 4.5736 5.8470 5.8470 5.9630 5.9630 k = 0.0000 0.0000 0.6487 ( 8936 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1155 -22.1155 -21.9506 -21.9506 -21.9455 -21.9455 -21.9253 -21.9253 -21.9236 -21.9236 -6.2811 -6.2811 -4.5874 -4.5874 -4.1688 -4.1688 -3.5311 -3.5311 -0.4474 -0.4474 -0.3490 -0.3490 0.3283 0.3283 1.1592 1.1592 4.1271 4.1271 4.4928 4.4928 5.9264 5.9264 6.0562 6.0562 k = 0.0000 0.0000 0.6696 ( 8924 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1196 -22.1196 -22.1156 -22.1156 -21.9504 -21.9504 -21.9457 -21.9457 -21.9252 -21.9252 -21.9236 -21.9236 -6.2311 -6.2311 -4.6553 -4.6553 -4.1530 -4.1530 -3.5611 -3.5611 -0.4117 -0.4117 -0.3540 -0.3540 0.3457 0.3457 1.1053 1.1053 4.0656 4.0656 4.4134 4.4134 6.0002 6.0002 6.1556 6.1556 k = 0.0000 0.0000 0.6906 ( 8936 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1195 -22.1195 -22.1158 -22.1158 -21.9503 -21.9503 -21.9459 -21.9459 -21.9252 -21.9252 -21.9237 -21.9237 -6.1801 -6.1801 -4.7229 -4.7229 -4.1368 -4.1368 -3.5907 -3.5907 -0.3792 -0.3792 -0.3569 -0.3569 0.3641 0.3641 1.0534 1.0534 4.0064 4.0064 4.3358 4.3358 6.0691 6.0691 6.2581 6.2581 k = 0.0000 0.0000 0.7115 ( 8924 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1194 -22.1194 -22.1160 -22.1160 -21.9501 -21.9501 -21.9461 -21.9461 -21.9251 -21.9251 -21.9237 -21.9237 -6.1280 -6.1280 -4.7900 -4.7900 -4.1201 -4.1201 -3.6198 -3.6198 -0.3577 -0.3577 -0.3500 -0.3500 0.3835 0.3835 1.0038 1.0038 3.9504 3.9504 4.2607 4.2607 6.1326 6.1326 6.3473 6.3473 k = 0.0000 0.0000 0.7324 ( 8924 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1192 -22.1192 -22.1161 -22.1161 -21.9499 -21.9499 -21.9463 -21.9463 -21.9250 -21.9250 -21.9238 -21.9238 -6.0750 -6.0750 -4.8568 -4.8568 -4.1030 -4.1030 -3.6484 -3.6484 -0.3566 -0.3566 -0.3245 -0.3245 0.4037 0.4037 0.9569 0.9569 3.8987 3.8987 4.1885 4.1885 6.1900 6.1900 6.3666 6.3666 k = 0.0000 0.0000 0.7533 ( 8916 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1191 -22.1191 -22.1163 -22.1163 -21.9497 -21.9497 -21.9464 -21.9464 -21.9250 -21.9250 -21.9239 -21.9239 -6.0210 -6.0210 -4.9231 -4.9231 -4.0854 -4.0854 -3.6765 -3.6765 -0.3536 -0.3536 -0.3029 -0.3029 0.4245 0.4245 0.9127 0.9127 3.8518 3.8518 4.1195 4.1195 6.2405 6.2405 6.3827 6.3827 k = 0.0000 0.0000 0.7743 ( 8928 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1189 -22.1189 -22.1164 -22.1164 -21.9496 -21.9496 -21.9466 -21.9466 -21.9249 -21.9249 -21.9240 -21.9240 -5.9661 -5.9661 -4.9890 -4.9890 -4.0673 -4.0673 -3.7040 -3.7040 -0.3488 -0.3488 -0.2853 -0.2853 0.4460 0.4460 0.8714 0.8714 3.8104 3.8104 4.0544 4.0544 6.2838 6.2838 6.3960 6.3960 k = 0.0000 0.0000 0.7952 ( 8924 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1188 -22.1188 -22.1166 -22.1166 -21.9494 -21.9494 -21.9468 -21.9468 -21.9248 -21.9248 -21.9240 -21.9240 -5.9103 -5.9103 -5.0545 -5.0545 -4.0487 -4.0487 -3.7310 -3.7310 -0.3424 -0.3424 -0.2718 -0.2718 0.4678 0.4678 0.8330 0.8330 3.7750 3.7750 3.9935 3.9935 6.3199 6.3199 6.4068 6.4068 k = 0.0000 0.0000 0.8161 ( 8916 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1186 -22.1186 -22.1167 -22.1167 -21.9492 -21.9492 -21.9470 -21.9470 -21.9248 -21.9248 -21.9241 -21.9241 -5.8537 -5.8537 -5.1194 -5.1194 -4.0296 -4.0296 -3.7575 -3.7575 -0.3347 -0.3347 -0.2624 -0.2624 0.4900 0.4900 0.7974 0.7974 3.7460 3.7460 3.9372 3.9372 6.3492 6.3492 6.4153 6.4153 k = 0.0000 0.0000 0.8370 ( 8914 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1185 -22.1185 -22.1169 -22.1169 -21.9490 -21.9490 -21.9472 -21.9472 -21.9247 -21.9247 -21.9241 -21.9241 -5.7962 -5.7962 -5.1839 -5.1839 -4.0100 -4.0100 -3.7833 -3.7833 -0.3258 -0.3258 -0.2569 -0.2569 0.5125 0.5125 0.7643 0.7643 3.7237 3.7237 3.8859 3.8859 6.3726 6.3726 6.4219 6.4219 k = 0.0000 0.0000 0.8580 ( 8904 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1183 -22.1183 -22.1171 -22.1171 -21.9488 -21.9488 -21.9474 -21.9474 -21.9246 -21.9246 -21.9242 -21.9242 -5.7380 -5.7380 -5.2478 -5.2478 -3.9899 -3.9899 -3.8086 -3.8086 -0.3160 -0.3160 -0.2550 -0.2550 0.5351 0.5351 0.7337 0.7337 3.7084 3.7084 3.8402 3.8402 6.3909 6.3909 6.4265 6.4265 k = 0.0000 0.0000 0.8789 ( 8894 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1181 -22.1181 -22.1172 -22.1172 -21.9487 -21.9487 -21.9475 -21.9475 -21.9246 -21.9246 -21.9242 -21.9242 -5.6791 -5.6791 -5.3113 -5.3113 -3.9692 -3.9692 -3.8333 -3.8333 -0.3056 -0.3056 -0.2564 -0.2564 0.5579 0.5579 0.7051 0.7051 3.7002 3.7002 3.8003 3.8003 6.4048 6.4048 6.4294 6.4294 k = 0.0000 0.0000 0.8998 ( 8894 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1180 -22.1180 -22.1173 -22.1173 -21.9485 -21.9485 -21.9477 -21.9477 -21.9245 -21.9245 -21.9243 -21.9243 -5.6194 -5.6194 -5.3741 -5.3741 -3.9480 -3.9480 -3.8574 -3.8574 -0.2951 -0.2951 -0.2606 -0.2606 0.5810 0.5810 0.6782 0.6782 3.6992 3.6992 3.7665 3.7665 6.4151 6.4151 6.4305 6.4305 k = 0.0000 0.0000 0.9207 ( 8888 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1175 -22.1175 -21.9483 -21.9483 -21.9479 -21.9479 -21.9245 -21.9245 -21.9243 -21.9243 -5.5590 -5.5590 -5.4364 -5.4364 -3.9262 -3.9262 -3.8809 -3.8809 -0.2849 -0.2849 -0.2671 -0.2671 0.6043 0.6043 0.6527 0.6527 3.7055 3.7055 3.7393 3.7393 6.4224 6.4224 6.4299 6.4299 k = 0.0000 0.0000 0.9417 ( 8886 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1176 -22.1176 -21.9481 -21.9481 -21.9481 -21.9481 -21.9244 -21.9244 -21.9244 -21.9244 -5.4980 -5.4980 -5.4980 -5.4980 -3.9039 -3.9039 -3.9039 -3.9039 -0.2754 -0.2754 -0.2754 -0.2754 0.6281 0.6281 0.6281 0.6281 3.7189 3.7189 3.7189 3.7189 6.4272 6.4272 6.4272 6.4272 k = 0.0000 0.0000 0.9417 ( 8886 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1176 -22.1176 -21.9481 -21.9481 -21.9481 -21.9481 -21.9244 -21.9244 -21.9244 -21.9244 -5.4980 -5.4980 -5.4980 -5.4980 -3.9039 -3.9039 -3.9039 -3.9039 -0.2754 -0.2754 -0.2754 -0.2754 0.6281 0.6281 0.6281 0.6281 3.7189 3.7189 3.7189 3.7189 6.4272 6.4272 6.4272 6.4272 k =-0.0109 0.0174 0.9417 ( 8888 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9481 -21.9481 -21.9481 -21.9481 -21.9244 -21.9244 -21.9244 -21.9244 -5.4992 -5.4991 -5.4990 -5.4990 -3.9035 -3.9035 -3.9021 -3.9021 -0.2880 -0.2880 -0.2605 -0.2605 0.6039 0.6039 0.6546 0.6546 3.7102 3.7102 3.7295 3.7295 6.4138 6.4138 6.4296 6.4296 k =-0.0218 0.0348 0.9417 ( 8888 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9481 -21.9481 -21.9480 -21.9480 -21.9244 -21.9244 -21.9243 -21.9243 -5.5024 -5.5024 -5.5020 -5.5020 -3.9010 -3.9010 -3.8983 -3.8983 -0.2983 -0.2983 -0.2433 -0.2433 0.5818 0.5818 0.6830 0.6830 3.7035 3.7035 3.7420 3.7420 6.3894 6.3894 6.4213 6.4213 k =-0.0327 0.0522 0.9417 ( 8886 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9482 -21.9482 -21.9480 -21.9480 -21.9245 -21.9244 -21.9243 -21.9243 -5.5076 -5.5076 -5.5071 -5.5071 -3.8963 -3.8963 -3.8923 -3.8923 -0.3062 -0.3062 -0.2241 -0.2241 0.5622 0.5622 0.7135 0.7135 3.6988 3.6988 3.7561 3.7561 6.3543 6.3543 6.4034 6.4034 k =-0.0436 0.0696 0.9417 ( 8888 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9482 -21.9482 -21.9480 -21.9480 -21.9245 -21.9245 -21.9243 -21.9243 -5.5149 -5.5149 -5.5143 -5.5143 -3.8896 -3.8896 -3.8844 -3.8844 -0.3118 -0.3118 -0.2028 -0.2028 0.5449 0.5449 0.7457 0.7457 3.6961 3.6961 3.7719 3.7719 6.3095 6.3095 6.3772 6.3772 k =-0.0545 0.0870 0.9417 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9482 -21.9482 -21.9480 -21.9480 -21.9245 -21.9245 -21.9243 -21.9243 -5.5241 -5.5241 -5.5233 -5.5233 -3.8809 -3.8809 -3.8744 -3.8744 -0.3150 -0.3150 -0.1795 -0.1795 0.5300 0.5300 0.7796 0.7796 3.6955 3.6955 3.7891 3.7891 6.2562 6.2562 6.3439 6.3439 k =-0.0654 0.1044 0.9417 ( 8908 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9483 -21.9483 -21.9479 -21.9479 -21.9245 -21.9245 -21.9243 -21.9243 -5.5352 -5.5352 -5.5343 -5.5343 -3.8701 -3.8701 -3.8625 -3.8625 -0.3157 -0.3157 -0.1544 -0.1544 0.5177 0.5177 0.8149 0.8149 3.6969 3.6969 3.8076 3.8076 6.1952 6.1952 6.3049 6.3049 k =-0.0763 0.1218 0.9417 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9483 -21.9483 -21.9479 -21.9479 -21.9245 -21.9245 -21.9242 -21.9242 -5.5479 -5.5479 -5.5470 -5.5470 -3.8574 -3.8574 -3.8487 -3.8487 -0.3141 -0.3141 -0.1277 -0.1277 0.5079 0.5079 0.8516 0.8516 3.7003 3.7003 3.8272 3.8272 6.1276 6.1276 6.2614 6.2614 k =-0.0872 0.1392 0.9417 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9483 -21.9483 -21.9479 -21.9479 -21.9246 -21.9246 -21.9242 -21.9242 -5.5624 -5.5624 -5.5613 -5.5613 -3.8428 -3.8428 -3.8331 -3.8331 -0.3102 -0.3102 -0.0994 -0.0994 0.5007 0.5007 0.8894 0.8894 3.7057 3.7057 3.8476 3.8476 6.0540 6.0540 6.2146 6.2146 k =-0.0982 0.1566 0.9417 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9483 -21.9479 -21.9479 -21.9246 -21.9246 -21.9242 -21.9242 -5.5783 -5.5783 -5.5772 -5.5772 -3.8265 -3.8265 -3.8158 -3.8158 -0.3039 -0.3039 -0.0697 -0.0697 0.4962 0.4962 0.9280 0.9280 3.7131 3.7131 3.8684 3.8684 5.9751 5.9751 6.1652 6.1652 k =-0.0982 0.1566 0.9417 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9483 -21.9479 -21.9479 -21.9246 -21.9246 -21.9242 -21.9242 -5.5783 -5.5783 -5.5772 -5.5772 -3.8265 -3.8265 -3.8158 -3.8158 -0.3039 -0.3039 -0.0697 -0.0697 0.4962 0.4962 0.9280 0.9280 3.7131 3.7131 3.8684 3.8684 5.9751 5.9751 6.1652 6.1652 k =-0.1059 0.1690 0.9271 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1175 -22.1175 -21.9484 -21.9484 -21.9478 -21.9478 -21.9246 -21.9246 -21.9242 -21.9242 -5.6253 -5.6253 -5.5542 -5.5542 -3.8346 -3.8346 -3.7811 -3.7811 -0.3073 -0.3073 -0.0374 -0.0374 0.5037 0.5037 0.9407 0.9407 3.7359 3.7359 3.8740 3.8740 5.9513 5.9513 6.1265 6.1265 k =-0.1136 0.1813 0.9126 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1174 -22.1174 -21.9485 -21.9485 -21.9477 -21.9477 -21.9246 -21.9246 -21.9241 -21.9241 -5.6721 -5.6721 -5.5324 -5.5324 -3.8429 -3.8429 -3.7439 -3.7439 -0.3107 -0.3107 -0.0052 -0.0052 0.5124 0.5124 0.9543 0.9543 3.7633 3.7633 3.8818 3.8818 5.9282 5.9282 6.0863 6.0863 k =-0.1213 0.1936 0.8980 ( 8913 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1180 -22.1180 -22.1173 -22.1173 -21.9486 -21.9486 -21.9476 -21.9476 -21.9246 -21.9246 -21.9241 -21.9241 -5.7176 -5.7176 -5.5128 -5.5128 -3.8511 -3.8511 -3.7042 -3.7042 -0.3141 -0.3141 0.0263 0.0263 0.5227 0.5227 0.9687 0.9687 3.7952 3.7952 3.8911 3.8911 5.9058 5.9058 6.0449 6.0449 k =-0.1291 0.2060 0.8835 ( 8914 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1181 -22.1181 -22.1172 -22.1172 -21.9487 -21.9487 -21.9475 -21.9475 -21.9247 -21.9247 -21.9241 -21.9241 -5.7616 -5.7616 -5.4954 -5.4954 -3.8594 -3.8594 -3.6622 -3.6622 -0.3175 -0.3175 0.0561 0.0561 0.5354 0.5354 0.9837 0.9837 3.8312 3.8312 3.9012 3.9012 5.8841 5.8841 6.0024 6.0024 k =-0.1368 0.2183 0.8689 ( 8911 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1181 -22.1181 -22.1171 -22.1171 -21.9488 -21.9488 -21.9474 -21.9474 -21.9247 -21.9247 -21.9240 -21.9240 -5.8041 -5.8041 -5.4801 -5.4801 -3.8678 -3.8678 -3.6180 -3.6180 -0.3208 -0.3208 0.0833 0.0833 0.5514 0.5514 0.9994 0.9994 3.8713 3.8713 3.9111 3.9111 5.8634 5.8634 5.9586 5.9586 k =-0.1445 0.2306 0.8543 ( 8901 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1182 -22.1182 -22.1170 -22.1170 -21.9488 -21.9488 -21.9473 -21.9473 -21.9247 -21.9247 -21.9239 -21.9239 -5.8450 -5.8450 -5.4668 -5.4668 -3.8761 -3.8761 -3.5718 -3.5718 -0.3241 -0.3241 0.1069 0.1069 0.5716 0.5716 1.0157 1.0157 3.9146 3.9146 3.9200 3.9200 5.8434 5.8434 5.9126 5.9126 k =-0.1523 0.2430 0.8398 ( 8909 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1183 -22.1183 -22.1169 -22.1169 -21.9490 -21.9489 -21.9472 -21.9472 -21.9247 -21.9247 -21.9239 -21.9239 -5.8842 -5.8842 -5.4554 -5.4554 -3.8844 -3.8844 -3.5239 -3.5239 -0.3273 -0.3273 0.1262 0.1262 0.5965 0.5965 1.0323 1.0323 3.9251 3.9251 3.9625 3.9625 5.8241 5.8241 5.8612 5.8612 k =-0.1600 0.2553 0.8252 ( 8906 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1184 -22.1184 -22.1168 -22.1168 -21.9490 -21.9490 -21.9471 -21.9471 -21.9248 -21.9248 -21.9239 -21.9239 -5.9218 -5.9218 -5.4459 -5.4459 -3.8926 -3.8926 -3.4745 -3.4745 -0.3305 -0.3305 0.1407 0.1407 0.6265 0.6265 1.0492 1.0492 3.9268 3.9268 4.0129 4.0129 5.7946 5.7946 5.8060 5.8060 k =-0.1677 0.2676 0.8107 ( 8906 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1185 -22.1185 -22.1167 -22.1167 -21.9491 -21.9491 -21.9470 -21.9470 -21.9248 -21.9248 -21.9238 -21.9238 -5.9575 -5.9575 -5.4380 -5.4380 -3.9007 -3.9007 -3.4240 -3.4240 -0.3335 -0.3335 0.1502 0.1502 0.6617 0.6617 1.0661 1.0661 3.9228 3.9228 4.0662 4.0662 5.7171 5.7171 5.7876 5.7876 k =-0.1754 0.2800 0.7961 ( 8902 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1185 -22.1185 -22.1166 -22.1166 -21.9492 -21.9492 -21.9468 -21.9468 -21.9248 -21.9248 -21.9238 -21.9238 -5.9915 -5.9915 -5.4315 -5.4315 -3.9086 -3.9086 -3.3727 -3.3727 -0.3364 -0.3364 0.1551 0.1551 0.7016 0.7016 1.0830 1.0830 3.9121 3.9121 4.1221 4.1221 5.6450 5.6450 5.7630 5.7630 k =-0.1832 0.2923 0.7816 ( 8898 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1186 -22.1186 -22.1165 -22.1165 -21.9493 -21.9493 -21.9467 -21.9467 -21.9248 -21.9248 -21.9237 -21.9237 -6.0235 -6.0235 -5.4265 -5.4265 -3.9164 -3.9164 -3.3210 -3.3210 -0.3392 -0.3392 0.1558 0.1558 0.7456 0.7456 1.0997 1.0997 3.8937 3.8937 4.1802 4.1802 5.5860 5.5860 5.7192 5.7192 k =-0.1909 0.3046 0.7670 ( 8892 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1186 -22.1186 -22.1164 -22.1164 -21.9493 -21.9493 -21.9466 -21.9466 -21.9248 -21.9248 -21.9237 -21.9237 -6.0537 -6.0537 -5.4225 -5.4225 -3.9239 -3.9239 -3.2694 -3.2694 -0.3417 -0.3417 0.1530 0.1530 0.7930 0.7930 1.1158 1.1158 3.8673 3.8673 4.2401 4.2401 5.5417 5.5417 5.6764 5.6764 k =-0.1986 0.3170 0.7525 ( 8892 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1187 -22.1187 -22.1163 -22.1163 -21.9494 -21.9494 -21.9466 -21.9466 -21.9248 -21.9248 -21.9236 -21.9236 -6.0819 -6.0819 -5.4196 -5.4196 -3.9311 -3.9311 -3.2182 -3.2182 -0.3441 -0.3441 0.1473 0.1473 0.8430 0.8430 1.1312 1.1312 3.8332 3.8332 4.3015 4.3015 5.5118 5.5118 5.6343 5.6343 k =-0.2063 0.3293 0.7379 ( 8900 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1188 -22.1188 -22.1163 -22.1163 -21.9495 -21.9495 -21.9465 -21.9465 -21.9249 -21.9249 -21.9236 -21.9236 -6.1081 -6.1081 -5.4176 -5.4176 -3.9380 -3.9380 -3.1681 -3.1681 -0.3461 -0.3461 0.1392 0.1392 0.8948 0.8948 1.1456 1.1456 3.7926 3.7926 4.3637 4.3637 5.4949 5.4949 5.5930 5.5930 k =-0.2141 0.3416 0.7234 ( 8892 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1188 -22.1188 -22.1162 -22.1162 -21.9495 -21.9495 -21.9464 -21.9464 -21.9249 -21.9249 -21.9235 -21.9235 -6.1324 -6.1324 -5.4163 -5.4163 -3.9444 -3.9444 -3.1194 -3.1194 -0.3478 -0.3478 0.1293 0.1293 0.9478 0.9478 1.1588 1.1588 3.7468 3.7468 4.4264 4.4264 5.4884 5.4884 5.5527 5.5527 k =-0.2218 0.3540 0.7088 ( 8892 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1189 -22.1189 -22.1161 -22.1161 -21.9496 -21.9496 -21.9463 -21.9463 -21.9249 -21.9249 -21.9235 -21.9235 -6.1546 -6.1546 -5.4155 -5.4155 -3.9504 -3.9504 -3.0727 -3.0727 -0.3490 -0.3490 0.1181 0.1181 1.0014 1.0014 1.1704 1.1704 3.6977 3.6977 4.4888 4.4888 5.4860 5.4860 5.5172 5.5172 k =-0.2295 0.3663 0.6943 ( 8888 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1189 -22.1189 -22.1161 -22.1161 -21.9496 -21.9496 -21.9463 -21.9463 -21.9249 -21.9249 -21.9235 -21.9235 -6.1747 -6.1747 -5.4153 -5.4153 -3.9560 -3.9560 -3.0285 -3.0285 -0.3498 -0.3498 0.1060 0.1060 1.0550 1.0550 1.1803 1.1803 3.6470 3.6470 4.5503 4.5503 5.4620 5.4620 5.5090 5.5090 k =-0.2373 0.3786 0.6797 ( 8900 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1189 -22.1189 -22.1160 -22.1160 -21.9497 -21.9497 -21.9462 -21.9462 -21.9249 -21.9249 -21.9235 -21.9235 -6.1928 -6.1928 -5.4153 -5.4153 -3.9610 -3.9610 -2.9873 -2.9873 -0.3501 -0.3501 0.0933 0.0933 1.1080 1.1080 1.1881 1.1881 3.5967 3.5967 4.6098 4.6098 5.4229 5.4229 5.5186 5.5186 k =-0.2450 0.3910 0.6651 ( 8899 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1190 -22.1190 -22.1160 -22.1160 -21.9497 -21.9497 -21.9462 -21.9462 -21.9249 -21.9249 -21.9235 -21.9235 -6.2088 -6.2088 -5.4156 -5.4156 -3.9654 -3.9654 -2.9496 -2.9496 -0.3498 -0.3498 0.0803 0.0803 1.1599 1.1599 1.1937 1.1937 3.5482 3.5482 4.6662 4.6662 5.3815 5.3815 5.5306 5.5306 k =-0.2527 0.4033 0.6506 ( 8900 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1190 -22.1190 -22.1160 -22.1160 -21.9497 -21.9497 -21.9462 -21.9462 -21.9249 -21.9249 -21.9235 -21.9235 -6.2227 -6.2227 -5.4160 -5.4160 -3.9693 -3.9693 -2.9159 -2.9159 -0.3489 -0.3489 0.0673 0.0673 1.1967 1.1967 1.2102 1.2102 3.5031 3.5031 4.7184 4.7184 5.3388 5.3388 5.5414 5.5414 k =-0.2604 0.4156 0.6360 ( 8893 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1190 -22.1190 -22.1159 -22.1159 -21.9498 -21.9498 -21.9461 -21.9461 -21.9249 -21.9249 -21.9234 -21.9234 -6.2345 -6.2345 -5.4165 -5.4165 -3.9725 -3.9725 -2.8866 -2.8866 -0.3473 -0.3473 0.0545 0.0545 1.1972 1.1972 1.2584 1.2584 3.4623 3.4623 4.7646 4.7646 5.2949 5.2949 5.5491 5.5491 k =-0.2682 0.4280 0.6215 ( 8892 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1190 -22.1190 -22.1159 -22.1159 -21.9498 -21.9498 -21.9461 -21.9461 -21.9249 -21.9249 -21.9234 -21.9234 -6.2442 -6.2442 -5.4170 -5.4170 -3.9751 -3.9751 -2.8622 -2.8622 -0.3449 -0.3449 0.0422 0.0422 1.1948 1.1948 1.3040 1.3040 3.4270 3.4270 4.8034 4.8034 5.2494 5.2494 5.5474 5.5474 k =-0.2759 0.4403 0.6069 ( 8902 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1159 -22.1159 -21.9498 -21.9498 -21.9460 -21.9460 -21.9250 -21.9250 -21.9234 -21.9234 -6.2517 -6.2517 -5.4174 -5.4174 -3.9771 -3.9771 -2.8430 -2.8430 -0.3417 -0.3417 0.0305 0.0305 1.1894 1.1894 1.3466 1.3466 3.3980 3.3980 4.8332 4.8332 5.2021 5.2021 5.5412 5.5412 k =-0.2836 0.4526 0.5924 ( 8898 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1158 -22.1158 -21.9498 -21.9498 -21.9460 -21.9460 -21.9250 -21.9250 -21.9234 -21.9234 -6.2571 -6.2571 -5.4178 -5.4178 -3.9783 -3.9783 -2.8294 -2.8294 -0.3377 -0.3377 0.0195 0.0195 1.1810 1.1810 1.3857 1.3857 3.3759 3.3759 4.8528 4.8528 5.1529 5.1529 5.5406 5.5406 k =-0.2914 0.4650 0.5778 ( 8898 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1158 -22.1158 -21.9498 -21.9498 -21.9460 -21.9460 -21.9250 -21.9250 -21.9234 -21.9234 -6.2603 -6.2603 -5.4180 -5.4180 -3.9789 -3.9789 -2.8215 -2.8215 -0.3329 -0.3329 0.0094 0.0094 1.1695 1.1695 1.4209 1.4209 3.3612 3.3612 4.8618 4.8618 5.1017 5.1017 5.5445 5.5445 k =-0.2991 0.4773 0.5633 ( 8894 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1158 -22.1158 -21.9498 -21.9498 -21.9460 -21.9460 -21.9249 -21.9249 -21.9234 -21.9234 -6.2614 -6.2614 -5.4181 -5.4181 -3.9788 -3.9788 -2.8194 -2.8194 -0.3271 -0.3271 -0.0000 -0.0000 1.1549 1.1549 1.4518 1.4518 3.3542 3.3542 4.8605 4.8605 5.0489 5.0489 5.5414 5.5414 k =-0.2991 0.4773 0.5633 ( 8894 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1158 -22.1158 -21.9498 -21.9498 -21.9460 -21.9460 -21.9249 -21.9249 -21.9234 -21.9234 -6.2614 -6.2614 -5.4181 -5.4181 -3.9788 -3.9788 -2.8194 -2.8194 -0.3271 -0.3271 -0.0000 -0.0000 1.1549 1.1549 1.4518 1.4518 3.3542 3.3542 4.8605 4.8605 5.0489 5.0489 5.5414 5.5414 k =-0.2912 0.4647 0.5484 ( 8902 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1192 -22.1192 -22.1157 -22.1157 -21.9500 -21.9500 -21.9459 -21.9459 -21.9250 -21.9250 -21.9234 -21.9234 -6.2793 -6.2793 -5.3580 -5.3580 -4.0148 -4.0148 -2.8144 -2.8144 -0.3616 -0.3616 -0.0563 -0.0563 1.1281 1.1281 1.4723 1.4723 3.3867 3.3867 4.9303 4.9303 5.0815 5.0815 5.5666 5.5666 k =-0.2833 0.4522 0.5336 ( 8894 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1193 -22.1193 -22.1156 -22.1156 -21.9501 -21.9501 -21.9457 -21.9457 -21.9251 -21.9251 -21.9233 -21.9233 -6.2991 -6.2991 -5.2958 -5.2958 -4.0482 -4.0482 -2.8096 -2.8096 -0.3929 -0.3929 -0.1132 -0.1132 1.1000 1.1000 1.4936 1.4936 3.4189 3.4189 4.9968 4.9968 5.1178 5.1178 5.5947 5.5947 k =-0.2755 0.4396 0.5188 ( 8900 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1194 -22.1194 -22.1155 -22.1155 -21.9502 -21.9502 -21.9456 -21.9456 -21.9251 -21.9251 -21.9233 -21.9233 -6.3208 -6.3208 -5.2318 -5.2318 -4.0791 -4.0791 -2.8052 -2.8052 -0.4208 -0.4208 -0.1704 -0.1704 1.0707 1.0707 1.5157 1.5157 3.4505 3.4505 5.0605 5.0605 5.1577 5.1577 5.6257 5.6257 k =-0.2676 0.4271 0.5040 ( 8912 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1196 -22.1196 -22.1154 -22.1154 -21.9504 -21.9504 -21.9455 -21.9455 -21.9252 -21.9252 -21.9233 -21.9233 -6.3442 -6.3442 -5.1659 -5.1659 -4.1074 -4.1074 -2.8012 -2.8012 -0.4451 -0.4451 -0.2279 -0.2279 1.0404 1.0404 1.5386 1.5386 3.4813 3.4813 5.1217 5.1217 5.2008 5.2008 5.6593 5.6593 k =-0.2597 0.4145 0.4892 ( 8910 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1197 -22.1197 -22.1153 -22.1153 -21.9505 -21.9505 -21.9454 -21.9454 -21.9252 -21.9252 -21.9232 -21.9232 -6.3692 -6.3692 -5.0981 -5.0981 -4.1334 -4.1334 -2.7974 -2.7974 -0.4657 -0.4657 -0.2856 -0.2856 1.0092 1.0092 1.5623 1.5623 3.5114 3.5114 5.1803 5.1803 5.2469 5.2469 5.6953 5.6953 k =-0.2519 0.4019 0.4743 ( 8914 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9507 -21.9507 -21.9452 -21.9452 -21.9253 -21.9253 -21.9232 -21.9232 -6.3958 -6.3958 -5.0286 -5.0286 -4.1571 -4.1571 -2.7941 -2.7941 -0.4825 -0.4825 -0.3433 -0.3433 0.9773 0.9773 1.5868 1.5868 3.5403 3.5403 5.2360 5.2360 5.2958 5.2958 5.7333 5.7333 k =-0.2440 0.3894 0.4595 ( 8926 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1200 -22.1200 -22.1151 -22.1151 -21.9508 -21.9508 -21.9451 -21.9451 -21.9254 -21.9254 -21.9232 -21.9232 -6.4238 -6.4238 -4.9574 -4.9574 -4.1787 -4.1787 -2.7912 -2.7912 -0.4954 -0.4954 -0.4009 -0.4009 0.9449 0.9449 1.6121 1.6121 3.5681 3.5681 5.2879 5.2879 5.3469 5.3469 5.7729 5.7729 k =-0.2361 0.3768 0.4447 ( 8934 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1201 -22.1201 -22.1150 -22.1150 -21.9510 -21.9510 -21.9450 -21.9450 -21.9254 -21.9254 -21.9232 -21.9232 -6.4530 -6.4530 -4.8846 -4.8846 -4.1984 -4.1984 -2.7886 -2.7886 -0.5043 -0.5043 -0.4583 -0.4583 0.9121 0.9121 1.6382 1.6382 3.5945 3.5945 5.3343 5.3343 5.3995 5.3995 5.8133 5.8133 k =-0.2282 0.3643 0.4299 ( 8940 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1202 -22.1202 -22.1149 -22.1149 -21.9511 -21.9511 -21.9448 -21.9448 -21.9255 -21.9255 -21.9231 -21.9231 -6.4832 -6.4832 -4.8102 -4.8102 -4.2163 -4.2163 -2.7865 -2.7865 -0.5157 -0.5157 -0.5089 -0.5089 0.8791 0.8791 1.6649 1.6649 3.6195 3.6195 5.3728 5.3728 5.4527 5.4527 5.8534 5.8534 k =-0.2204 0.3517 0.4150 ( 8944 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1204 -22.1204 -22.1147 -22.1147 -21.9512 -21.9512 -21.9447 -21.9447 -21.9256 -21.9256 -21.9231 -21.9231 -6.5142 -6.5142 -4.7343 -4.7343 -4.2327 -4.2327 -2.7848 -2.7848 -0.5723 -0.5723 -0.5100 -0.5100 0.8461 0.8461 1.6924 1.6924 3.6428 3.6428 5.3998 5.3998 5.5050 5.5050 5.8581 5.8581 k =-0.2125 0.3391 0.4002 ( 8932 PWs) bands (ev): -50.0750 -50.0750 -50.0744 -50.0744 -22.1205 -22.1205 -22.1146 -22.1146 -21.9514 -21.9514 -21.9445 -21.9445 -21.9256 -21.9256 -21.9230 -21.9230 -6.5458 -6.5458 -4.6571 -4.6571 -4.2476 -4.2476 -2.7834 -2.7834 -0.6287 -0.6287 -0.5068 -0.5068 0.8131 0.8131 1.7204 1.7204 3.6646 3.6646 5.4118 5.4118 5.5538 5.5538 5.8575 5.8575 k =-0.2046 0.3266 0.3854 ( 8936 PWs) bands (ev): -50.0750 -50.0750 -50.0744 -50.0744 -22.1206 -22.1206 -22.1145 -22.1145 -21.9515 -21.9515 -21.9443 -21.9443 -21.9257 -21.9257 -21.9230 -21.9230 -6.5779 -6.5779 -4.5786 -4.5786 -4.2614 -4.2614 -2.7825 -2.7825 -0.6845 -0.6845 -0.4995 -0.4995 0.7803 0.7803 1.7490 1.7490 3.6845 3.6845 5.4069 5.4069 5.5951 5.5951 5.8620 5.8620 k =-0.1968 0.3140 0.3706 ( 8938 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1207 -22.1207 -22.1144 -22.1144 -21.9516 -21.9516 -21.9442 -21.9442 -21.9257 -21.9257 -21.9229 -21.9229 -6.6102 -6.6102 -4.4989 -4.4989 -4.2742 -4.2742 -2.7819 -2.7819 -0.7399 -0.7399 -0.4882 -0.4882 0.7478 0.7478 1.7780 1.7780 3.7027 3.7027 5.3864 5.3864 5.6229 5.6229 5.8724 5.8724 k =-0.1889 0.3015 0.3557 ( 8946 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1208 -22.1208 -22.1143 -22.1143 -21.9517 -21.9517 -21.9441 -21.9441 -21.9258 -21.9258 -21.9229 -21.9229 -6.6425 -6.6425 -4.4181 -4.4181 -4.2860 -4.2860 -2.7817 -2.7817 -0.7946 -0.7946 -0.4731 -0.4731 0.7158 0.7158 1.8073 1.8073 3.7191 3.7191 5.3540 5.3540 5.6299 5.6299 5.8852 5.8852 k =-0.1810 0.2889 0.3409 ( 8946 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1209 -22.1209 -22.1142 -22.1142 -21.9518 -21.9518 -21.9439 -21.9439 -21.9258 -21.9258 -21.9229 -21.9229 -6.6748 -6.6748 -4.3363 -4.3363 -4.2971 -4.2971 -2.7818 -2.7818 -0.8487 -0.8487 -0.4541 -0.4541 0.6843 0.6843 1.8368 1.8368 3.7337 3.7337 5.3134 5.3134 5.6104 5.6104 5.8956 5.8956 k =-0.1732 0.2763 0.3261 ( 8945 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1210 -22.1210 -22.1140 -22.1140 -21.9519 -21.9519 -21.9438 -21.9438 -21.9259 -21.9259 -21.9228 -21.9228 -6.7067 -6.7067 -4.3075 -4.3075 -4.2537 -4.2537 -2.7822 -2.7822 -0.9021 -0.9021 -0.4314 -0.4314 0.6535 0.6535 1.8663 1.8663 3.7464 3.7464 5.2676 5.2676 5.5635 5.5635 5.8999 5.8999 k =-0.1653 0.2638 0.3113 ( 8937 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1211 -22.1211 -22.1139 -22.1139 -21.9520 -21.9520 -21.9436 -21.9436 -21.9259 -21.9259 -21.9228 -21.9228 -6.7383 -6.7383 -4.3173 -4.3173 -4.1705 -4.1705 -2.7829 -2.7829 -0.9549 -0.9549 -0.4053 -0.4053 0.6234 0.6234 1.8958 1.8958 3.7574 3.7574 5.2188 5.2188 5.4930 5.4930 5.8957 5.8957 k =-0.1574 0.2512 0.2965 ( 8947 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1212 -22.1212 -22.1138 -22.1138 -21.9522 -21.9522 -21.9435 -21.9435 -21.9260 -21.9260 -21.9227 -21.9227 -6.7692 -6.7692 -4.3267 -4.3267 -4.0868 -4.0868 -2.7839 -2.7839 -1.0069 -1.0069 -0.3758 -0.3758 0.5942 0.5942 1.9249 1.9249 3.7665 3.7665 5.1682 5.1682 5.4049 5.4049 5.8818 5.8818 k =-0.1495 0.2387 0.2816 ( 8951 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1213 -22.1213 -22.1137 -22.1137 -21.9523 -21.9523 -21.9433 -21.9433 -21.9260 -21.9260 -21.9227 -21.9227 -6.7993 -6.7993 -4.3357 -4.3357 -4.0027 -4.0027 -2.7851 -2.7851 -1.0583 -1.0583 -0.3434 -0.3434 0.5659 0.5659 1.9537 1.9537 3.7738 3.7738 5.1167 5.1167 5.3053 5.3053 5.8581 5.8581 k =-0.1417 0.2261 0.2668 ( 8949 PWs) bands (ev): -50.0751 -50.0751 -50.0743 -50.0743 -22.1213 -22.1213 -22.1136 -22.1136 -21.9524 -21.9524 -21.9432 -21.9432 -21.9261 -21.9261 -21.9226 -21.9226 -6.8286 -6.8286 -4.3443 -4.3443 -3.9184 -3.9184 -2.7865 -2.7865 -1.1089 -1.1089 -0.3081 -0.3081 0.5387 0.5387 1.9818 1.9818 3.7793 3.7793 5.0648 5.0648 5.1993 5.1993 5.8250 5.8250 k =-0.1338 0.2135 0.2520 ( 8933 PWs) bands (ev): -50.0751 -50.0751 -50.0743 -50.0743 -22.1214 -22.1214 -22.1135 -22.1135 -21.9524 -21.9524 -21.9431 -21.9431 -21.9261 -21.9261 -21.9225 -21.9225 -6.8569 -6.8569 -4.3525 -4.3525 -3.8342 -3.8342 -2.7881 -2.7881 -1.1589 -1.1589 -0.2704 -0.2704 0.5125 0.5125 2.0090 2.0090 3.7829 3.7829 5.0128 5.0128 5.0908 5.0908 5.7834 5.7834 k =-0.1259 0.2010 0.2372 ( 8929 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1215 -22.1215 -22.1134 -22.1134 -21.9525 -21.9525 -21.9429 -21.9429 -21.9261 -21.9261 -21.9225 -21.9225 -6.8842 -6.8842 -4.3604 -4.3604 -3.7503 -3.7503 -2.7898 -2.7898 -1.2081 -1.2081 -0.2306 -0.2306 0.4875 0.4875 2.0353 2.0353 3.7844 3.7844 4.9608 4.9608 4.9829 4.9829 5.7347 5.7347 k =-0.1181 0.1884 0.2223 ( 8933 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1215 -22.1215 -22.1133 -22.1133 -21.9526 -21.9526 -21.9428 -21.9428 -21.9261 -21.9261 -21.9225 -21.9225 -6.9102 -6.9102 -4.3679 -4.3679 -3.6670 -3.6670 -2.7916 -2.7916 -1.2566 -1.2566 -0.1891 -0.1891 0.4637 0.4637 2.0603 2.0603 3.7838 3.7838 4.8778 4.8778 4.9092 4.9092 5.6806 5.6806 k =-0.1102 0.1758 0.2075 ( 8923 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1216 -22.1216 -22.1132 -22.1132 -21.9526 -21.9526 -21.9427 -21.9427 -21.9261 -21.9261 -21.9224 -21.9224 -6.9349 -6.9349 -4.3752 -4.3752 -3.5844 -3.5844 -2.7935 -2.7935 -1.3044 -1.3044 -0.1463 -0.1463 0.4412 0.4412 2.0840 2.0840 3.7806 3.7806 4.7778 4.7778 4.8575 4.8575 5.6228 5.6228 k =-0.1023 0.1633 0.1927 ( 8927 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1216 -22.1216 -22.1131 -22.1131 -21.9527 -21.9527 -21.9426 -21.9426 -21.9262 -21.9262 -21.9224 -21.9224 -6.9582 -6.9582 -4.3821 -4.3821 -3.5030 -3.5030 -2.7954 -2.7954 -1.3515 -1.3515 -0.1026 -0.1026 0.4201 0.4201 2.1061 2.1061 3.7748 3.7748 4.6842 4.6842 4.8060 4.8060 5.5631 5.5631 k =-0.0944 0.1507 0.1779 ( 8933 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1217 -22.1217 -22.1131 -22.1131 -21.9528 -21.9528 -21.9425 -21.9425 -21.9262 -21.9262 -21.9224 -21.9224 -6.9801 -6.9801 -4.3886 -4.3886 -3.4230 -3.4230 -2.7973 -2.7973 -1.3978 -1.3978 -0.0586 -0.0586 0.4003 0.4003 2.1265 2.1265 3.7658 3.7658 4.5987 4.5987 4.7548 4.7548 5.5032 5.5032 k =-0.0866 0.1382 0.1631 ( 8945 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1218 -22.1218 -22.1130 -22.1130 -21.9529 -21.9529 -21.9424 -21.9424 -21.9263 -21.9263 -21.9224 -21.9224 -7.0005 -7.0005 -4.3948 -4.3948 -3.3450 -3.3450 -2.7991 -2.7991 -1.4432 -1.4432 -0.0148 -0.0148 0.3820 0.3820 2.1451 2.1451 3.7535 3.7535 4.5221 4.5221 4.7040 4.7040 5.4448 5.4448 k =-0.0787 0.1256 0.1482 ( 8955 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1218 -22.1218 -22.1130 -22.1130 -21.9529 -21.9529 -21.9424 -21.9424 -21.9263 -21.9263 -21.9224 -21.9224 -7.0192 -7.0192 -4.4005 -4.4005 -3.2693 -3.2693 -2.8010 -2.8010 -1.4876 -1.4876 0.0283 0.0283 0.3651 0.3651 2.1618 2.1618 3.7378 3.7378 4.4554 4.4554 4.6540 4.6540 5.3892 5.3892 k =-0.0708 0.1130 0.1334 ( 8959 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1219 -22.1219 -22.1129 -22.1129 -21.9530 -21.9530 -21.9423 -21.9423 -21.9264 -21.9264 -21.9224 -21.9224 -7.0364 -7.0364 -4.4058 -4.4058 -3.1964 -3.1964 -2.8027 -2.8027 -1.5308 -1.5308 0.0699 0.0699 0.3497 0.3497 2.1766 2.1766 3.7188 3.7188 4.3989 4.3989 4.6051 4.6051 5.3375 5.3375 k =-0.0630 0.1005 0.1186 ( 8967 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1219 -22.1219 -22.1129 -22.1129 -21.9530 -21.9530 -21.9422 -21.9422 -21.9264 -21.9264 -21.9224 -21.9224 -7.0519 -7.0519 -4.4106 -4.4106 -3.1271 -3.1271 -2.8043 -2.8043 -1.5726 -1.5726 0.1096 0.1096 0.3359 0.3359 2.1893 2.1893 3.6972 3.6972 4.3523 4.3523 4.5580 4.5580 5.2905 5.2905 k =-0.0551 0.0879 0.1038 ( 8973 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1220 -22.1220 -22.1128 -22.1128 -21.9531 -21.9531 -21.9422 -21.9422 -21.9264 -21.9264 -21.9223 -21.9223 -7.0656 -7.0656 -4.4150 -4.4150 -3.0619 -3.0619 -2.8058 -2.8058 -1.6124 -1.6124 0.1466 0.1466 0.3237 0.3237 2.2002 2.2002 3.6740 3.6740 4.3151 4.3151 4.5134 4.5134 5.2487 5.2487 k =-0.0472 0.0754 0.0889 ( 8975 PWs) bands (ev): -50.0753 -50.0753 -50.0743 -50.0743 -22.1220 -22.1220 -22.1128 -22.1128 -21.9531 -21.9531 -21.9421 -21.9421 -21.9264 -21.9264 -21.9223 -21.9223 -7.0776 -7.0776 -4.4188 -4.4188 -3.0019 -3.0019 -2.8071 -2.8071 -1.6498 -1.6498 0.1803 0.1803 0.3130 0.3130 2.2092 2.2092 3.6504 3.6504 4.2863 4.2863 4.4722 4.4722 5.2124 5.2124 k =-0.0394 0.0628 0.0741 ( 8955 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1220 -22.1220 -22.1127 -22.1127 -21.9532 -21.9532 -21.9420 -21.9420 -21.9264 -21.9264 -21.9223 -21.9223 -7.0878 -7.0878 -4.4221 -4.4221 -2.9479 -2.9479 -2.8083 -2.8083 -1.6841 -1.6841 0.2101 0.2101 0.3039 0.3039 2.2164 2.2164 3.6278 3.6278 4.2644 4.2644 4.4353 4.4353 5.1818 5.1818 k =-0.0315 0.0502 0.0593 ( 8955 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1220 -22.1220 -22.1127 -22.1127 -21.9532 -21.9532 -21.9420 -21.9420 -21.9264 -21.9264 -21.9222 -21.9222 -7.0961 -7.0961 -4.4248 -4.4248 -2.9011 -2.9011 -2.8093 -2.8093 -1.7144 -1.7144 0.2353 0.2353 0.2966 0.2966 2.2220 2.2220 3.6074 3.6074 4.2484 4.2484 4.4036 4.4036 5.1569 5.1569 k =-0.0236 0.0377 0.0445 ( 8941 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1220 -22.1220 -22.1126 -22.1126 -21.9532 -21.9532 -21.9419 -21.9419 -21.9264 -21.9264 -21.9222 -21.9222 -7.1027 -7.1027 -4.4269 -4.4269 -2.8628 -2.8628 -2.8100 -2.8100 -1.7396 -1.7396 0.2555 0.2555 0.2909 0.2909 2.2262 2.2262 3.5905 3.5905 4.2371 4.2371 4.3780 4.3780 5.1377 5.1377 k =-0.0157 0.0251 0.0296 ( 8937 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1126 -22.1126 -21.9532 -21.9532 -21.9419 -21.9419 -21.9264 -21.9264 -21.9222 -21.9222 -7.1073 -7.1073 -4.4285 -4.4285 -2.8344 -2.8344 -2.8104 -2.8104 -1.7587 -1.7587 0.2699 0.2699 0.2871 0.2871 2.2291 2.2291 3.5778 3.5778 4.2297 4.2297 4.3592 4.3592 5.1240 5.1240 k =-0.0079 0.0126 0.0148 ( 8921 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1125 -22.1125 -21.9532 -21.9532 -21.9418 -21.9418 -21.9264 -21.9264 -21.9221 -21.9221 -7.1102 -7.1102 -4.4294 -4.4294 -2.8172 -2.8172 -2.8102 -2.8102 -1.7706 -1.7706 0.2778 0.2778 0.2858 0.2858 2.2307 2.2307 3.5700 3.5700 4.2255 4.2255 4.3477 4.3477 5.1159 5.1159 k = 0.0000 0.0000 0.0000 ( 8923 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1125 -22.1125 -21.9533 -21.9533 -21.9418 -21.9418 -21.9264 -21.9264 -21.9221 -21.9221 -7.1111 -7.1111 -4.4297 -4.4297 -2.8130 -2.8130 -2.8086 -2.8086 -1.7747 -1.7747 0.2795 0.2795 0.2864 0.2864 2.2313 2.2313 3.5673 3.5673 4.2241 4.2241 4.3438 4.3438 5.1131 5.1131 k = 0.0000 0.0000 0.0000 ( 8923 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1221 -22.1221 -22.1125 -22.1125 -21.9533 -21.9533 -21.9418 -21.9418 -21.9264 -21.9264 -21.9221 -21.9221 -7.1111 -7.1111 -4.4297 -4.4297 -2.8130 -2.8130 -2.8086 -2.8086 -1.7747 -1.7747 0.2795 0.2795 0.2864 0.2864 2.2313 2.2313 3.5673 3.5673 4.2241 4.2241 4.3438 4.3438 5.1131 5.1131 k = 0.0179 0.0112-0.0000 ( 8919 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1220 -22.1220 -22.1125 -22.1125 -21.9532 -21.9532 -21.9418 -21.9418 -21.9264 -21.9264 -21.9221 -21.9221 -7.1099 -7.1099 -4.4352 -4.4352 -2.8134 -2.8134 -2.8090 -2.8090 -1.7674 -1.7674 0.2811 0.2811 0.2880 0.2880 2.2305 2.2305 3.5633 3.5633 4.2083 4.2083 4.3602 4.3602 5.1188 5.1188 k = 0.0357 0.0224-0.0000 ( 8931 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1220 -22.1220 -22.1126 -22.1126 -21.9532 -21.9532 -21.9419 -21.9419 -21.9264 -21.9264 -21.9221 -21.9221 -7.1063 -7.1063 -4.4515 -4.4515 -2.8146 -2.8146 -2.8102 -2.8102 -1.7458 -1.7458 0.2860 0.2860 0.2928 0.2928 2.2282 2.2282 3.5514 3.5514 4.1739 4.1739 4.3964 4.3964 5.1354 5.1354 k = 0.0536 0.0336-0.0000 ( 8931 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1220 -22.1220 -22.1126 -22.1126 -21.9531 -21.9531 -21.9420 -21.9420 -21.9264 -21.9264 -21.9222 -21.9222 -7.1003 -7.1003 -4.4781 -4.4781 -2.8166 -2.8166 -2.8123 -2.8123 -1.7103 -1.7103 0.2940 0.2940 0.3008 0.3008 2.2244 2.2244 3.5323 3.5323 4.1335 4.1335 4.4396 4.4396 5.1622 5.1622 k = 0.0714 0.0448-0.0000 ( 8920 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1219 -22.1219 -22.1127 -22.1127 -21.9530 -21.9530 -21.9420 -21.9420 -21.9263 -21.9263 -21.9222 -21.9222 -7.0918 -7.0918 -4.5141 -4.5141 -2.8193 -2.8193 -2.8151 -2.8151 -1.6619 -1.6619 0.3052 0.3052 0.3119 0.3119 2.2191 2.2191 3.5069 3.5069 4.0907 4.0907 4.4859 4.4859 5.1983 5.1983 k = 0.0893 0.0559-0.0000 ( 8936 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1218 -22.1218 -22.1128 -22.1128 -21.9530 -21.9530 -21.9421 -21.9421 -21.9263 -21.9263 -21.9223 -21.9223 -7.0810 -7.0810 -4.5586 -4.5586 -2.8228 -2.8228 -2.8186 -2.8186 -1.6015 -1.6015 0.3194 0.3194 0.3260 0.3260 2.2123 2.2123 3.4761 3.4761 4.0465 4.0465 4.5339 4.5339 5.2424 5.2424 k = 0.1071 0.0671-0.0000 ( 8932 PWs) bands (ev): -50.0752 -50.0752 -50.0742 -50.0742 -22.1218 -22.1218 -22.1129 -22.1129 -21.9529 -21.9529 -21.9422 -21.9422 -21.9262 -21.9262 -21.9223 -21.9223 -7.0678 -7.0678 -4.6105 -4.6105 -2.8269 -2.8269 -2.8228 -2.8228 -1.5303 -1.5303 0.3364 0.3364 0.3430 0.3430 2.2040 2.2040 3.4410 3.4410 4.0010 4.0010 4.5828 4.5828 5.2929 5.2929 k = 0.1250 0.0783-0.0000 ( 8940 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1217 -22.1217 -22.1130 -22.1130 -21.9528 -21.9528 -21.9424 -21.9424 -21.9262 -21.9262 -21.9223 -21.9223 -7.0522 -7.0522 -4.6686 -4.6686 -2.8316 -2.8316 -2.8276 -2.8276 -1.4493 -1.4493 0.3562 0.3562 0.3626 0.3626 2.1943 2.1943 3.4026 3.4026 3.9540 3.9540 4.6322 4.6322 5.3485 5.3485 k = 0.1429 0.0895-0.0000 ( 8936 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1216 -22.1216 -22.1131 -22.1131 -21.9527 -21.9527 -21.9425 -21.9425 -21.9261 -21.9261 -21.9224 -21.9224 -7.0342 -7.0342 -4.7318 -4.7318 -2.8368 -2.8368 -2.8330 -2.8330 -1.3598 -1.3598 0.3785 0.3785 0.3848 0.3848 2.1830 2.1830 3.3620 3.3620 3.9052 3.9052 4.6818 4.6818 5.4075 5.4075 k = 0.1607 0.1007-0.0000 ( 8952 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1215 -22.1215 -22.1132 -22.1132 -21.9526 -21.9526 -21.9427 -21.9427 -21.9260 -21.9260 -21.9224 -21.9224 -7.0138 -7.0138 -4.7994 -4.7994 -2.8425 -2.8425 -2.8388 -2.8388 -1.2627 -1.2627 0.4032 0.4032 0.4092 0.4092 2.1703 2.1703 3.3198 3.3198 3.8543 3.8543 4.7311 4.7311 5.4683 5.4683 k = 0.1786 0.1119-0.0000 ( 8960 PWs) bands (ev): -50.0752 -50.0752 -50.0743 -50.0743 -22.1214 -22.1214 -22.1134 -22.1134 -21.9525 -21.9525 -21.9429 -21.9429 -21.9260 -21.9260 -21.9225 -21.9225 -6.9911 -6.9911 -4.8702 -4.8702 -2.8486 -2.8486 -2.8450 -2.8450 -1.1589 -1.1589 0.4298 0.4298 0.4357 0.4357 2.1560 2.1560 3.2769 3.2769 3.8008 3.8008 4.7800 4.7800 5.5294 5.5294 k = 0.1964 0.1231-0.0000 ( 8940 PWs) bands (ev): -50.0751 -50.0751 -50.0743 -50.0743 -22.1212 -22.1212 -22.1135 -22.1135 -21.9523 -21.9523 -21.9431 -21.9431 -21.9259 -21.9259 -21.9225 -21.9225 -6.9660 -6.9660 -4.9437 -4.9437 -2.8549 -2.8549 -2.8514 -2.8514 -1.0494 -1.0494 0.4583 0.4583 0.4640 0.4640 2.1400 2.1400 3.2339 3.2339 3.7443 3.7443 4.8281 4.8281 5.5891 5.5891 k = 0.2143 0.1343-0.0000 ( 8948 PWs) bands (ev): -50.0751 -50.0751 -50.0743 -50.0743 -22.1211 -22.1211 -22.1136 -22.1136 -21.9521 -21.9521 -21.9433 -21.9433 -21.9258 -21.9258 -21.9225 -21.9225 -6.9386 -6.9386 -5.0191 -5.0191 -2.8614 -2.8614 -2.8581 -2.8581 -0.9347 -0.9347 0.4883 0.4883 0.4938 0.4938 2.1221 2.1221 3.1912 3.1912 3.6847 3.6847 4.8750 4.8750 5.6456 5.6456 k = 0.2321 0.1455-0.0000 ( 8948 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1209 -22.1209 -22.1138 -22.1138 -21.9519 -21.9519 -21.9435 -21.9435 -21.9257 -21.9257 -21.9226 -21.9226 -6.9088 -6.9088 -5.0958 -5.0958 -2.8680 -2.8680 -2.8649 -2.8649 -0.8157 -0.8157 0.5195 0.5195 0.5247 0.5247 2.1021 2.1021 3.1494 3.1494 3.6219 3.6219 4.9208 4.9208 5.6970 5.6970 k = 0.2500 0.1566-0.0000 ( 8944 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1207 -22.1207 -22.1140 -22.1140 -21.9517 -21.9517 -21.9438 -21.9438 -21.9256 -21.9256 -21.9227 -21.9227 -6.8767 -6.8767 -5.1734 -5.1734 -2.8746 -2.8746 -2.8717 -2.8717 -0.6929 -0.6929 0.5515 0.5515 0.5565 0.5565 2.0797 2.0797 3.1088 3.1088 3.5560 3.5560 4.9652 4.9652 5.7418 5.7418 k = 0.2679 0.1678-0.0000 ( 8924 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1204 -22.1204 -22.1142 -22.1142 -21.9514 -21.9514 -21.9440 -21.9440 -21.9254 -21.9254 -21.9227 -21.9227 -6.8423 -6.8423 -5.2515 -5.2515 -2.8812 -2.8812 -2.8784 -2.8784 -0.5667 -0.5667 0.5840 0.5840 0.5887 0.5887 2.0544 2.0544 3.0696 3.0696 3.4874 3.4874 5.0082 5.0082 5.7784 5.7784 k = 0.2857 0.1790-0.0000 ( 8924 PWs) bands (ev): -50.0751 -50.0751 -50.0744 -50.0744 -22.1202 -22.1202 -22.1144 -22.1144 -21.9512 -21.9512 -21.9443 -21.9443 -21.9253 -21.9253 -21.9228 -21.9228 -6.8056 -6.8056 -5.3296 -5.3296 -2.8876 -2.8876 -2.8850 -2.8850 -0.4379 -0.4379 0.6166 0.6166 0.6210 0.6210 2.0256 2.0256 3.0324 3.0324 3.4166 3.4166 5.0500 5.0500 5.8055 5.8055 k = 0.3036 0.1902-0.0000 ( 8932 PWs) bands (ev): -50.0750 -50.0750 -50.0744 -50.0744 -22.1200 -22.1200 -22.1146 -22.1146 -21.9510 -21.9510 -21.9446 -21.9446 -21.9252 -21.9252 -21.9229 -21.9229 -6.7666 -6.7666 -5.4075 -5.4075 -2.8938 -2.8938 -2.8914 -2.8914 -0.3067 -0.3067 0.6489 0.6489 0.6530 0.6530 1.9927 1.9927 2.9972 2.9972 3.3446 3.3446 5.0907 5.0907 5.7633 5.7633 k = 0.3214 0.2014-0.0000 ( 8932 PWs) bands (ev): -50.0750 -50.0750 -50.0744 -50.0744 -22.1198 -22.1198 -22.1148 -22.1148 -21.9507 -21.9507 -21.9449 -21.9449 -21.9251 -21.9251 -21.9230 -21.9230 -6.7254 -6.7254 -5.4849 -5.4849 -2.8997 -2.8997 -2.8975 -2.8975 -0.1737 -0.1737 0.6804 0.6804 0.6842 0.6842 1.9547 1.9547 2.9643 2.9643 3.2726 3.2726 5.1306 5.1306 5.6705 5.6705 k = 0.3393 0.2126-0.0000 ( 8920 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1195 -22.1195 -22.1151 -22.1151 -21.9504 -21.9504 -21.9452 -21.9452 -21.9250 -21.9250 -21.9231 -21.9231 -6.6820 -6.6820 -5.5617 -5.5617 -2.9052 -2.9052 -2.9032 -2.9032 -0.0393 -0.0393 0.7108 0.7108 0.7143 0.7143 1.9107 1.9107 2.9341 2.9341 3.2020 3.2020 5.1700 5.1700 5.5849 5.5851 k = 0.3571 0.2238-0.0000 ( 8924 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1193 -22.1193 -22.1153 -22.1153 -21.9502 -21.9502 -21.9455 -21.9455 -21.9248 -21.9248 -21.9232 -21.9232 -6.6363 -6.6363 -5.6375 -5.6375 -2.9103 -2.9103 -2.9085 -2.9085 0.0960 0.0960 0.7396 0.7396 0.7427 0.7427 1.8598 1.8598 2.9066 2.9066 3.1342 3.1342 5.2092 5.2092 5.5069 5.5069 k = 0.3750 0.2350-0.0000 ( 8952 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1191 -22.1191 -22.1156 -22.1156 -21.9499 -21.9499 -21.9458 -21.9458 -21.9248 -21.9248 -21.9233 -21.9233 -6.5885 -6.5885 -5.7123 -5.7123 -2.9149 -2.9149 -2.9133 -2.9133 0.2318 0.2318 0.7663 0.7663 0.7691 0.7691 1.8010 1.8010 2.8823 2.8823 3.0709 3.0709 5.2484 5.2484 5.4367 5.4367 k = 0.3929 0.2462-0.0000 ( 8964 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1189 -22.1189 -22.1159 -22.1159 -21.9497 -21.9497 -21.9461 -21.9461 -21.9247 -21.9247 -21.9234 -21.9234 -6.5385 -6.5385 -5.7858 -5.7858 -2.9190 -2.9190 -2.9176 -2.9176 0.3676 0.3676 0.7905 0.7905 0.7929 0.7929 1.7335 1.7335 2.8612 2.8612 3.0134 3.0134 5.2880 5.2880 5.3750 5.3750 k = 0.4107 0.2574-0.0000 ( 8956 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1186 -22.1186 -22.1161 -22.1161 -21.9494 -21.9494 -21.9464 -21.9464 -21.9246 -21.9246 -21.9235 -21.9235 -6.4863 -6.4863 -5.8580 -5.8580 -2.9226 -2.9226 -2.9214 -2.9214 0.5028 0.5028 0.8119 0.8119 0.8139 0.8139 1.6569 1.6569 2.8438 2.8438 2.9628 2.9628 5.3211 5.3211 5.3219 5.3219 k = 0.4286 0.2685-0.0000 ( 8960 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1184 -22.1184 -22.1164 -22.1164 -21.9491 -21.9491 -21.9468 -21.9468 -21.9245 -21.9245 -21.9236 -21.9236 -6.4321 -6.4321 -5.9287 -5.9287 -2.9255 -2.9255 -2.9245 -2.9245 0.6368 0.6368 0.8299 0.8299 0.8316 0.8316 1.5711 1.5711 2.8304 2.8304 2.9198 2.9198 5.2780 5.2780 5.2782 5.2782 k = 0.4464 0.2797-0.0000 ( 8932 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1181 -22.1181 -22.1166 -22.1166 -21.9488 -21.9488 -21.9470 -21.9470 -21.9243 -21.9243 -21.9237 -21.9237 -6.3759 -6.3759 -5.9979 -5.9979 -2.9278 -2.9278 -2.9269 -2.9269 0.7689 0.7689 0.8444 0.8444 0.8457 0.8457 1.4764 1.4764 2.8213 2.8213 2.8846 2.8846 5.2435 5.2435 5.2437 5.2437 k = 0.4643 0.2909-0.0000 ( 8924 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1178 -22.1178 -22.1168 -22.1168 -21.9485 -21.9485 -21.9473 -21.9473 -21.9242 -21.9242 -21.9237 -21.9237 -6.3176 -6.3176 -6.0654 -6.0654 -2.9294 -2.9294 -2.9287 -2.9287 0.8550 0.8550 0.8558 0.8558 0.8986 0.8986 1.3735 1.3735 2.8169 2.8169 2.8573 2.8573 5.2187 5.2187 5.2188 5.2188 k = 0.4821 0.3021-0.0000 ( 8916 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1175 -22.1175 -22.1170 -22.1170 -21.9482 -21.9482 -21.9476 -21.9476 -21.9241 -21.9241 -21.9238 -21.9238 -6.2574 -6.2574 -6.1312 -6.1312 -2.9304 -2.9304 -2.9298 -2.9298 0.8615 0.8615 0.8621 0.8621 1.0248 1.0248 1.2632 1.2632 2.8178 2.8178 2.8374 2.8374 5.2037 5.2037 5.2038 5.2038 k = 0.5000 0.3133-0.0000 ( 8916 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9479 -21.9479 -21.9239 -21.9239 -21.9239 -21.9239 -6.1955 -6.1955 -6.1950 -6.1950 -2.9307 -2.9307 -2.9302 -2.9302 0.8637 0.8637 0.8641 0.8641 1.1465 1.1465 1.1468 1.1468 2.8243 2.8243 2.8246 2.8246 5.1987 5.1987 5.1988 5.1988 k = 0.5000 0.3133-0.0000 ( 8916 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9479 -21.9479 -21.9239 -21.9239 -21.9239 -21.9239 -6.1955 -6.1955 -6.1950 -6.1950 -2.9307 -2.9307 -2.9302 -2.9302 0.8637 0.8637 0.8641 0.8641 1.1465 1.1465 1.1468 1.1468 2.8243 2.8243 2.8246 2.8246 5.1987 5.1987 5.1988 5.1988 k = 0.4923 0.3256 0.0146 ( 8918 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9478 -21.9478 -21.9240 -21.9240 -21.9239 -21.9239 -6.1953 -6.1953 -6.1938 -6.1938 -2.9332 -2.9332 -2.9305 -2.9305 0.8568 0.8568 0.8623 0.8623 1.1474 1.1474 1.1511 1.1511 2.8252 2.8252 2.8300 2.8300 5.1963 5.1963 5.1975 5.1975 k = 0.4845 0.3380 0.0291 ( 8918 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9478 -21.9478 -21.9240 -21.9240 -21.9239 -21.9239 -6.1948 -6.1948 -6.1903 -6.1903 -2.9422 -2.9422 -2.9298 -2.9298 0.8376 0.8376 0.8571 0.8571 1.1499 1.1499 1.1628 1.1628 2.8280 2.8280 2.8462 2.8462 5.1894 5.1894 5.1938 5.1938 k = 0.4768 0.3503 0.0437 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9478 -21.9478 -21.9240 -21.9240 -21.9239 -21.9239 -6.1940 -6.1940 -6.1844 -6.1844 -2.9570 -2.9570 -2.9286 -2.9286 0.8085 0.8085 0.8485 0.8485 1.1541 1.1541 1.1794 1.1794 2.8327 2.8327 2.8730 2.8730 5.1782 5.1782 5.1882 5.1882 k = 0.4691 0.3626 0.0582 ( 8922 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9480 -21.9480 -21.9478 -21.9478 -21.9241 -21.9241 -21.9239 -21.9239 -6.1928 -6.1928 -6.1761 -6.1761 -2.9774 -2.9774 -2.9269 -2.9269 0.7721 0.7721 0.8366 0.8366 1.1596 1.1596 1.1983 1.1983 2.8392 2.8392 2.9101 2.9101 5.1634 5.1634 5.1815 5.1815 k = 0.4614 0.3750 0.0728 ( 8922 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1173 -22.1173 -21.9480 -21.9480 -21.9477 -21.9477 -21.9241 -21.9241 -21.9239 -21.9239 -6.1915 -6.1915 -6.1655 -6.1655 -3.0032 -3.0032 -2.9247 -2.9247 0.7305 0.7305 0.8218 0.8218 1.1664 1.1664 1.2179 1.2179 2.8476 2.8476 2.9570 2.9570 5.1454 5.1454 5.1745 5.1745 k = 0.4536 0.3873 0.0873 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1172 -22.1172 -21.9481 -21.9481 -21.9477 -21.9477 -21.9241 -21.9241 -21.9238 -21.9238 -6.1899 -6.1899 -6.1526 -6.1526 -3.0339 -3.0339 -2.9222 -2.9222 0.6849 0.6849 0.8041 0.8041 1.1742 1.1742 1.2370 1.2370 2.8578 2.8578 3.0133 3.0133 5.1250 5.1250 5.1678 5.1678 k = 0.4459 0.3996 0.1019 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1172 -22.1172 -21.9481 -21.9481 -21.9477 -21.9476 -21.9241 -21.9241 -21.9238 -21.9238 -6.1881 -6.1881 -6.1373 -6.1373 -3.0690 -3.0690 -2.9191 -2.9191 0.6362 0.6362 0.7837 0.7837 1.1828 1.1828 1.2547 1.2547 2.8698 2.8698 3.0784 3.0784 5.1030 5.1030 5.1621 5.1621 k = 0.4382 0.4120 0.1164 ( 8918 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1175 -22.1175 -22.1172 -22.1172 -21.9482 -21.9482 -21.9476 -21.9476 -21.9242 -21.9242 -21.9238 -21.9238 -6.1863 -6.1863 -6.1197 -6.1197 -3.1083 -3.1083 -2.9157 -2.9157 0.5851 0.5851 0.7608 0.7608 1.1922 1.1922 1.2708 1.2708 2.8835 2.8835 3.1516 3.1516 5.0801 5.0801 5.1579 5.1579 k = 0.4305 0.4243 0.1310 ( 8924 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1175 -22.1175 -22.1172 -22.1171 -21.9482 -21.9482 -21.9476 -21.9476 -21.9242 -21.9242 -21.9238 -21.9238 -6.1844 -6.1844 -6.0997 -6.0997 -3.1511 -3.1511 -2.9119 -2.9119 0.5323 0.5323 0.7354 0.7354 1.2023 1.2023 1.2848 1.2848 2.8989 2.8989 3.2322 3.2322 5.0570 5.0570 5.1555 5.1555 k = 0.4227 0.4366 0.1455 ( 8928 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1176 -22.1176 -22.1171 -22.1171 -21.9483 -21.9483 -21.9475 -21.9475 -21.9243 -21.9243 -21.9238 -21.9238 -6.1826 -6.1826 -6.0775 -6.0775 -3.1969 -3.1969 -2.9077 -2.9077 0.4780 0.4780 0.7075 0.7075 1.2129 1.2129 1.2966 1.2966 2.9161 2.9161 3.3195 3.3195 5.0344 5.0344 5.1552 5.1552 k = 0.4150 0.4490 0.1601 ( 8928 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1177 -22.1177 -22.1170 -22.1170 -21.9484 -21.9484 -21.9475 -21.9475 -21.9243 -21.9243 -21.9237 -21.9237 -6.1810 -6.1810 -6.0529 -6.0529 -3.2453 -3.2453 -2.9032 -2.9032 0.4228 0.4228 0.6774 0.6774 1.2240 1.2240 1.3060 1.3060 2.9348 2.9348 3.4126 3.4126 5.0128 5.0128 5.1575 5.1575 k = 0.4073 0.4613 0.1746 ( 8934 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1178 -22.1178 -22.1170 -22.1170 -21.9485 -21.9485 -21.9474 -21.9474 -21.9244 -21.9244 -21.9237 -21.9237 -6.1796 -6.1796 -6.0261 -6.0261 -3.2957 -3.2957 -2.8984 -2.8984 0.3669 0.3669 0.6450 0.6450 1.2356 1.2356 1.3129 1.3129 2.9551 2.9551 3.5108 3.5108 4.9929 4.9929 5.1624 5.1624 k = 0.3995 0.4736 0.1892 ( 8924 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1178 -22.1178 -22.1169 -22.1169 -21.9485 -21.9485 -21.9473 -21.9473 -21.9244 -21.9244 -21.9237 -21.9237 -6.1787 -6.1787 -5.9969 -5.9969 -3.3477 -3.3477 -2.8933 -2.8933 0.3107 0.3107 0.6105 0.6105 1.2476 1.2476 1.3173 1.3173 2.9769 2.9769 3.6130 3.6130 4.9750 4.9750 5.1701 5.1701 k = 0.3918 0.4860 0.2038 ( 8934 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1179 -22.1179 -22.1169 -22.1169 -21.9486 -21.9486 -21.9473 -21.9473 -21.9244 -21.9244 -21.9237 -21.9237 -6.1783 -6.1783 -5.9655 -5.9655 -3.4007 -3.4007 -2.8880 -2.8880 0.2545 0.2545 0.5737 0.5737 1.2602 1.2602 1.3191 1.3191 3.0001 3.0001 3.7184 3.7184 4.9597 4.9597 5.1810 5.1810 k = 0.3841 0.4983 0.2183 ( 8914 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1180 -22.1180 -22.1168 -22.1168 -21.9487 -21.9487 -21.9472 -21.9472 -21.9245 -21.9244 -21.9237 -21.9236 -6.1785 -6.1785 -5.9318 -5.9318 -3.4543 -3.4543 -2.8825 -2.8825 0.1985 0.1985 0.5349 0.5349 1.2732 1.2732 1.3184 1.3184 3.0247 3.0247 3.8258 3.8258 4.9472 4.9472 5.1951 5.1951 k = 0.3764 0.5106 0.2329 ( 8926 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1181 -22.1181 -22.1167 -22.1167 -21.9488 -21.9488 -21.9471 -21.9471 -21.9245 -21.9245 -21.9237 -21.9237 -6.1795 -6.1795 -5.8959 -5.8959 -3.5081 -3.5081 -2.8768 -2.8768 0.1431 0.1431 0.4942 0.4942 1.2866 1.2866 1.3151 1.3151 3.0506 3.0506 3.9342 3.9342 4.9379 4.9379 5.2127 5.2127 k = 0.3686 0.5230 0.2474 ( 8920 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1182 -22.1182 -22.1166 -22.1166 -21.9489 -21.9489 -21.9470 -21.9470 -21.9246 -21.9246 -21.9236 -21.9236 -6.1814 -6.1814 -5.8577 -5.8577 -3.5616 -3.5616 -2.8710 -2.8710 0.0885 0.0885 0.4515 0.4515 1.3005 1.3005 1.3093 1.3093 3.0776 3.0776 4.0424 4.0424 4.9320 4.9320 5.2337 5.2337 k = 0.3609 0.5353 0.2620 ( 8928 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1183 -22.1183 -22.1166 -22.1166 -21.9490 -21.9490 -21.9469 -21.9469 -21.9246 -21.9246 -21.9236 -21.9236 -6.1844 -6.1844 -5.8174 -5.8174 -3.6144 -3.6144 -2.8650 -2.8650 0.0350 0.0350 0.4070 0.4070 1.3007 1.3007 1.3151 1.3151 3.1057 3.1057 4.1494 4.1494 4.9296 4.9296 5.2583 5.2583 k = 0.3532 0.5476 0.2765 ( 8910 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1183 -22.1183 -22.1165 -22.1165 -21.9491 -21.9491 -21.9468 -21.9468 -21.9246 -21.9246 -21.9236 -21.9236 -6.1886 -6.1886 -5.7749 -5.7749 -3.6663 -3.6663 -2.8591 -2.8591 -0.0172 -0.0172 0.3608 0.3608 1.2900 1.2900 1.3301 1.3301 3.1347 3.1347 4.2538 4.2538 4.9310 4.9310 5.2865 5.2865 k = 0.3454 0.5600 0.2911 ( 8912 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1184 -22.1184 -22.1164 -22.1164 -21.9492 -21.9492 -21.9467 -21.9467 -21.9247 -21.9247 -21.9235 -21.9235 -6.1941 -6.1941 -5.7302 -5.7302 -3.7168 -3.7168 -2.8531 -2.8531 -0.0679 -0.0679 0.3130 0.3130 1.2769 1.2769 1.3456 1.3456 3.1646 3.1646 4.3548 4.3548 4.9362 4.9362 5.3180 5.3180 k = 0.3377 0.5723 0.3056 ( 8916 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1186 -22.1185 -22.1163 -22.1163 -21.9493 -21.9493 -21.9466 -21.9466 -21.9247 -21.9247 -21.9235 -21.9235 -6.2011 -6.2011 -5.6833 -5.6833 -3.7657 -3.7657 -2.8472 -2.8472 -0.1167 -0.1167 0.2637 0.2637 1.2615 1.2615 1.3617 1.3617 3.1953 3.1953 4.4515 4.4515 4.9452 4.9452 5.3527 5.3527 k = 0.3300 0.5846 0.3202 ( 8908 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1186 -22.1186 -22.1162 -22.1162 -21.9494 -21.9494 -21.9465 -21.9465 -21.9248 -21.9248 -21.9235 -21.9235 -6.2096 -6.2096 -5.6344 -5.6344 -3.8128 -3.8128 -2.8413 -2.8413 -0.1636 -0.1636 0.2131 0.2131 1.2440 1.2440 1.3784 1.3784 3.2265 3.2265 4.5433 4.5433 4.9582 4.9582 5.3901 5.3901 k = 0.3223 0.5970 0.3347 ( 8914 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1188 -22.1188 -22.1162 -22.1162 -21.9495 -21.9495 -21.9464 -21.9464 -21.9248 -21.9248 -21.9235 -21.9235 -6.2199 -6.2199 -5.5834 -5.5834 -3.8578 -3.8578 -2.8356 -2.8356 -0.2083 -0.2083 0.1613 0.1613 1.2244 1.2244 1.3957 1.3957 3.2581 3.2581 4.6300 4.6300 4.9751 4.9751 5.4298 5.4298 k = 0.3145 0.6093 0.3493 ( 8908 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1189 -22.1189 -22.1160 -22.1160 -21.9496 -21.9496 -21.9463 -21.9463 -21.9249 -21.9249 -21.9235 -21.9235 -6.2319 -6.2319 -5.5303 -5.5303 -3.9005 -3.9005 -2.8300 -2.8300 -0.2506 -0.2506 0.1084 0.1084 1.2029 1.2029 1.4137 1.4137 3.2901 3.2901 4.7115 4.7115 4.9959 4.9959 5.4712 5.4712 k = 0.3068 0.6216 0.3638 ( 8906 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1190 -22.1190 -22.1160 -22.1160 -21.9497 -21.9497 -21.9462 -21.9462 -21.9249 -21.9249 -21.9234 -21.9234 -6.2457 -6.2457 -5.4752 -5.4752 -3.9409 -3.9409 -2.8246 -2.8246 -0.2902 -0.2902 0.0546 0.0546 1.1797 1.1797 1.4324 1.4324 3.3222 3.3222 4.7881 4.7881 5.0205 5.0205 5.5132 5.5132 k = 0.2991 0.6340 0.3784 ( 8894 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1158 -22.1158 -21.9498 -21.9498 -21.9460 -21.9460 -21.9249 -21.9249 -21.9234 -21.9234 -6.2614 -6.2614 -5.4181 -5.4181 -3.9788 -3.9788 -2.8194 -2.8194 -0.3271 -0.3271 -0.0000 -0.0000 1.1549 1.1549 1.4518 1.4518 3.3542 3.3542 4.8605 4.8605 5.0489 5.0489 5.5414 5.5414 k = 0.2991 0.6340 0.3784 ( 8894 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1158 -22.1158 -21.9498 -21.9498 -21.9460 -21.9460 -21.9249 -21.9249 -21.9234 -21.9234 -6.2614 -6.2614 -5.4181 -5.4181 -3.9788 -3.9788 -2.8194 -2.8194 -0.3271 -0.3271 -0.0000 -0.0000 1.1549 1.1549 1.4518 1.4518 3.3542 3.3542 4.8605 4.8605 5.0489 5.0489 5.5414 5.5414 k = 0.2804 0.6291 0.3842 ( 8898 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1191 -22.1191 -22.1158 -22.1158 -21.9499 -21.9499 -21.9460 -21.9460 -21.9250 -21.9250 -21.9234 -21.9234 -6.2693 -6.2693 -5.3932 -5.3932 -3.9929 -3.9929 -2.8173 -2.8173 -0.3552 -0.3552 -0.0074 -0.0074 1.1440 1.1440 1.4583 1.4583 3.3666 3.3666 4.8674 4.8674 5.0803 5.0803 5.5185 5.5185 k = 0.2617 0.6242 0.3900 ( 8904 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1192 -22.1192 -22.1157 -22.1157 -21.9500 -21.9500 -21.9459 -21.9459 -21.9250 -21.9250 -21.9234 -21.9234 -6.2793 -6.2793 -5.3651 -5.3651 -4.0062 -4.0062 -2.8151 -2.8151 -0.4062 -0.4062 0.0096 0.0096 1.1318 1.1318 1.4622 1.4622 3.3780 3.3780 4.8446 4.8446 5.1344 5.1344 5.5031 5.5031 k = 0.2430 0.6193 0.3957 ( 8900 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1193 -22.1193 -22.1157 -22.1157 -21.9501 -21.9500 -21.9458 -21.9458 -21.9250 -21.9250 -21.9233 -21.9233 -6.2906 -6.2906 -5.3348 -5.3348 -4.0185 -4.0185 -2.8129 -2.8129 -0.4698 -0.4698 0.0412 0.0412 1.1185 1.1185 1.4634 1.4634 3.3883 3.3883 4.8105 4.8105 5.1831 5.1831 5.5102 5.5102 k = 0.2243 0.6144 0.4015 ( 8905 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1193 -22.1193 -22.1156 -22.1156 -21.9501 -21.9501 -21.9458 -21.9458 -21.9251 -21.9251 -21.9233 -21.9233 -6.3029 -6.3029 -5.3033 -5.3033 -4.0298 -4.0298 -2.8106 -2.8106 -0.5386 -0.5386 0.0805 0.0805 1.1045 1.1045 1.4621 1.4621 3.3974 3.3974 4.7735 4.7735 5.2096 5.2096 5.5466 5.5466 k = 0.2056 0.6095 0.4073 ( 8908 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1194 -22.1194 -22.1156 -22.1156 -21.9502 -21.9502 -21.9457 -21.9457 -21.9251 -21.9251 -21.9233 -21.9233 -6.3154 -6.3154 -5.2712 -5.2712 -4.0400 -4.0400 -2.8083 -2.8083 -0.6084 -0.6084 0.1236 0.1236 1.0899 1.0899 1.4585 1.4585 3.4051 3.4051 4.7367 4.7367 5.2140 5.2140 5.6055 5.6055 k = 0.1869 0.6046 0.4131 ( 8916 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1195 -22.1195 -22.1155 -22.1155 -21.9503 -21.9503 -21.9456 -21.9456 -21.9252 -21.9252 -21.9233 -21.9233 -6.3279 -6.3279 -5.2395 -5.2395 -4.0492 -4.0492 -2.8061 -2.8061 -0.6766 -0.6766 0.1683 0.1683 1.0749 1.0749 1.4529 1.4529 3.4116 3.4116 4.7018 4.7018 5.2060 5.2060 5.6706 5.6706 k = 0.1682 0.5997 0.4188 ( 8914 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1195 -22.1195 -22.1155 -22.1155 -21.9504 -21.9504 -21.9455 -21.9455 -21.9252 -21.9252 -21.9233 -21.9233 -6.3399 -6.3399 -5.2086 -5.2086 -4.0573 -4.0573 -2.8040 -2.8040 -0.7417 -0.7417 0.2133 0.2133 1.0597 1.0597 1.4456 1.4456 3.4168 3.4168 4.6695 4.6695 5.1932 5.1932 5.7271 5.7271 k = 0.1495 0.5948 0.4246 ( 8910 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1196 -22.1196 -22.1154 -22.1154 -21.9504 -21.9504 -21.9455 -21.9455 -21.9252 -21.9252 -21.9232 -21.9232 -6.3512 -6.3512 -5.1794 -5.1794 -4.0642 -4.0642 -2.8019 -2.8019 -0.8026 -0.8026 0.2576 0.2576 1.0446 1.0446 1.4369 1.4369 3.4207 3.4207 4.6403 4.6403 5.1795 5.1795 5.7660 5.7660 k = 0.1308 0.5899 0.4304 ( 8912 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1196 -22.1196 -22.1154 -22.1154 -21.9505 -21.9505 -21.9454 -21.9454 -21.9252 -21.9252 -21.9232 -21.9232 -6.3617 -6.3617 -5.1522 -5.1522 -4.0702 -4.0702 -2.8000 -2.8000 -0.8582 -0.8582 0.3003 0.3003 1.0298 1.0298 1.4274 1.4274 3.4237 3.4237 4.6143 4.6143 5.1668 5.1668 5.7853 5.7853 k = 0.1122 0.5850 0.4362 ( 8913 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1197 -22.1197 -22.1153 -22.1153 -21.9505 -21.9505 -21.9453 -21.9453 -21.9253 -21.9253 -21.9232 -21.9232 -6.3710 -6.3710 -5.1276 -5.1276 -4.0751 -4.0751 -2.7983 -2.7983 -0.9080 -0.9080 0.3405 0.3405 1.0156 1.0156 1.4174 1.4174 3.4257 3.4257 4.5918 4.5918 5.1562 5.1562 5.7891 5.7891 k = 0.0935 0.5801 0.4419 ( 8913 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1197 -22.1197 -22.1153 -22.1153 -21.9506 -21.9506 -21.9453 -21.9453 -21.9253 -21.9253 -21.9232 -21.9232 -6.3791 -6.3791 -5.1061 -5.1061 -4.0791 -4.0791 -2.7968 -2.7968 -0.9513 -0.9513 0.3773 0.3773 1.0022 1.0022 1.4076 1.4076 3.4271 3.4271 4.5728 4.5728 5.1477 5.1477 5.7830 5.7830 k = 0.0748 0.5752 0.4477 ( 8906 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9506 -21.9506 -21.9452 -21.9452 -21.9253 -21.9253 -21.9232 -21.9232 -6.3859 -6.3859 -5.0880 -5.0880 -4.0822 -4.0822 -2.7956 -2.7956 -0.9875 -0.9875 0.4096 0.4096 0.9900 0.9900 1.3985 1.3985 3.4279 3.4279 4.5572 4.5572 5.1414 5.1414 5.7722 5.7722 k = 0.0561 0.5703 0.4535 ( 8900 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9506 -21.9506 -21.9452 -21.9452 -21.9253 -21.9253 -21.9232 -21.9232 -6.3912 -6.3912 -5.0736 -5.0736 -4.0845 -4.0845 -2.7946 -2.7946 -1.0161 -1.0161 0.4364 0.4364 0.9797 0.9797 1.3906 1.3906 3.4283 3.4283 4.5452 4.5452 5.1371 5.1371 5.7605 5.7605 k = 0.0374 0.5654 0.4593 ( 8910 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9507 -21.9507 -21.9452 -21.9452 -21.9253 -21.9253 -21.9232 -21.9232 -6.3950 -6.3950 -5.0631 -5.0631 -4.0861 -4.0861 -2.7938 -2.7938 -1.0368 -1.0368 0.4567 0.4567 0.9716 0.9716 1.3846 1.3846 3.4286 3.4286 4.5365 4.5365 5.1344 5.1344 5.7505 5.7505 k = 0.0187 0.5605 0.4651 ( 8918 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9507 -21.9507 -21.9452 -21.9452 -21.9254 -21.9254 -21.9232 -21.9232 -6.3974 -6.3974 -5.0567 -5.0567 -4.0870 -4.0870 -2.7934 -2.7934 -1.0493 -1.0493 0.4693 0.4693 0.9665 0.9665 1.3808 1.3808 3.4286 3.4286 4.5314 4.5314 5.1329 5.1329 5.7438 5.7438 k = 0.0000 0.5556 0.4708 ( 8920 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1199 -22.1199 -22.1152 -22.1152 -21.9507 -21.9507 -21.9452 -21.9452 -21.9254 -21.9254 -21.9232 -21.9232 -6.3982 -6.3982 -5.0546 -5.0546 -4.0874 -4.0874 -2.7933 -2.7933 -1.0535 -1.0535 0.4736 0.4736 0.9647 0.9647 1.3795 1.3795 3.4287 3.4287 4.5297 4.5297 5.1324 5.1324 5.7415 5.7415 k = 0.0000 0.5556 0.4708 ( 8920 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1199 -22.1199 -22.1152 -22.1152 -21.9507 -21.9507 -21.9452 -21.9452 -21.9254 -21.9254 -21.9232 -21.9232 -6.3982 -6.3982 -5.0546 -5.0546 -4.0874 -4.0874 -2.7933 -2.7933 -1.0535 -1.0535 0.4736 0.4736 0.9647 0.9647 1.3795 1.3795 3.4287 3.4287 4.5297 4.5297 5.1324 5.1324 5.7415 5.7415 k = 0.0078 0.5432 0.4855 ( 8912 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9507 -21.9507 -21.9451 -21.9451 -21.9254 -21.9254 -21.9232 -21.9232 -6.3971 -6.3971 -5.0545 -5.0545 -4.0871 -4.0871 -2.7965 -2.7965 -1.0519 -1.0519 0.4729 0.4729 0.9628 0.9628 1.3775 1.3775 3.4323 3.4323 4.5285 4.5285 5.1319 5.1319 5.7442 5.7442 k = 0.0156 0.5307 0.5003 ( 8912 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9507 -21.9507 -21.9452 -21.9452 -21.9253 -21.9253 -21.9232 -21.9232 -6.3940 -6.3940 -5.0543 -5.0543 -4.0863 -4.0863 -2.8062 -2.8062 -1.0470 -1.0470 0.4710 0.4710 0.9569 0.9569 1.3714 1.3714 3.4432 3.4432 4.5250 4.5250 5.1307 5.1307 5.7521 5.7521 k = 0.0234 0.5182 0.5150 ( 8916 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9507 -21.9507 -21.9452 -21.9452 -21.9253 -21.9253 -21.9232 -21.9232 -6.3888 -6.3888 -5.0539 -5.0539 -4.0850 -4.0850 -2.8221 -2.8221 -1.0388 -1.0388 0.4677 0.4677 0.9473 0.9473 1.3616 1.3616 3.4611 3.4611 4.5195 4.5195 5.1289 5.1289 5.7649 5.7649 k = 0.0312 0.5058 0.5297 ( 8914 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1152 -22.1152 -21.9506 -21.9506 -21.9452 -21.9452 -21.9253 -21.9253 -21.9232 -21.9232 -6.3816 -6.3816 -5.0535 -5.0535 -4.0832 -4.0832 -2.8439 -2.8439 -1.0276 -1.0276 0.4631 0.4631 0.9339 0.9339 1.3479 1.3479 3.4855 3.4855 4.5121 4.5121 5.1270 5.1270 5.7821 5.7821 k = 0.0391 0.4933 0.5444 ( 8914 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1198 -22.1198 -22.1153 -22.1153 -21.9506 -21.9506 -21.9453 -21.9453 -21.9253 -21.9253 -21.9232 -21.9232 -6.3722 -6.3722 -5.0530 -5.0530 -4.0808 -4.0808 -2.8713 -2.8713 -1.0135 -1.0135 0.4572 0.4572 0.9169 0.9169 1.3308 1.3308 3.5161 3.5161 4.5035 4.5035 5.1259 5.1259 5.8029 5.8029 k = 0.0469 0.4808 0.5591 ( 8910 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1197 -22.1197 -22.1153 -22.1153 -21.9506 -21.9506 -21.9453 -21.9453 -21.9253 -21.9253 -21.9232 -21.9232 -6.3609 -6.3609 -5.0525 -5.0525 -4.0780 -4.0780 -2.9037 -2.9037 -0.9967 -0.9967 0.4498 0.4498 0.8965 0.8965 1.3104 1.3104 3.5519 3.5519 4.4940 4.4940 5.1263 5.1263 5.8262 5.8262 k = 0.0547 0.4684 0.5738 ( 8912 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1197 -22.1197 -22.1153 -22.1153 -21.9506 -21.9506 -21.9453 -21.9453 -21.9253 -21.9253 -21.9233 -21.9233 -6.3475 -6.3475 -5.0522 -5.0522 -4.0748 -4.0748 -2.9407 -2.9407 -0.9773 -0.9773 0.4410 0.4410 0.8729 0.8729 1.2870 1.2870 3.5922 3.5922 4.4844 4.4844 5.1291 5.1291 5.8505 5.8505 k = 0.0625 0.4559 0.5885 ( 8918 PWs) bands (ev): -50.0750 -50.0750 -50.0745 -50.0745 -22.1197 -22.1197 -22.1154 -22.1154 -21.9505 -21.9505 -21.9454 -21.9454 -21.9253 -21.9253 -21.9233 -21.9233 -6.3321 -6.3321 -5.0520 -5.0520 -4.0711 -4.0711 -2.9816 -2.9816 -0.9556 -0.9556 0.4308 0.4308 0.8462 0.8462 1.2609 1.2609 3.6357 3.6357 4.4753 4.4753 5.1356 5.1356 5.8736 5.8736 k = 0.0703 0.4434 0.6033 ( 8920 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1197 -22.1197 -22.1154 -22.1154 -21.9505 -21.9505 -21.9455 -21.9455 -21.9253 -21.9253 -21.9233 -21.9233 -6.3147 -6.3147 -5.0521 -5.0521 -4.0671 -4.0671 -3.0260 -3.0260 -0.9316 -0.9316 0.4192 0.4192 0.8170 0.8170 1.2322 1.2322 3.6813 3.6813 4.4674 4.4674 5.1468 5.1468 5.8926 5.8926 k = 0.0781 0.4309 0.6180 ( 8922 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1196 -22.1196 -22.1155 -22.1155 -21.9505 -21.9505 -21.9455 -21.9455 -21.9253 -21.9253 -21.9233 -21.9233 -6.2954 -6.2954 -5.0527 -5.0527 -4.0627 -4.0627 -3.0731 -3.0731 -0.9056 -0.9056 0.4062 0.4062 0.7854 0.7854 1.2012 1.2012 3.7275 3.7275 4.4615 4.4615 5.1639 5.1639 5.9033 5.9033 k = 0.0859 0.4185 0.6327 ( 8918 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1196 -22.1196 -22.1155 -22.1155 -21.9504 -21.9504 -21.9456 -21.9456 -21.9253 -21.9253 -21.9233 -21.9233 -6.2741 -6.2741 -5.0539 -5.0539 -4.0579 -4.0579 -3.1225 -3.1225 -0.8778 -0.8778 0.3918 0.3918 0.7518 0.7518 1.1681 1.1681 3.7729 3.7729 4.4581 4.4581 5.1882 5.1882 5.9003 5.9003 k = 0.0938 0.4060 0.6474 ( 8928 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1196 -22.1196 -22.1156 -22.1156 -21.9504 -21.9504 -21.9457 -21.9457 -21.9253 -21.9253 -21.9234 -21.9234 -6.2509 -6.2509 -5.0558 -5.0558 -4.0529 -4.0529 -3.1735 -3.1735 -0.8481 -0.8481 0.3761 0.3761 0.7168 0.7168 1.1331 1.1331 3.8161 3.8161 4.4577 4.4577 5.2204 5.2204 5.8799 5.8799 k = 0.1016 0.3935 0.6621 ( 8932 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1195 -22.1195 -22.1157 -22.1157 -21.9503 -21.9503 -21.9458 -21.9458 -21.9253 -21.9253 -21.9234 -21.9234 -6.2258 -6.2258 -5.0587 -5.0587 -4.0476 -4.0476 -3.2256 -3.2256 -0.8168 -0.8168 0.3593 0.3593 0.6806 0.6806 1.0963 1.0963 3.8560 3.8560 4.4606 4.4606 5.2610 5.2610 5.8446 5.8446 k = 0.1094 0.3811 0.6768 ( 8932 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1194 -22.1194 -22.1158 -22.1158 -21.9502 -21.9502 -21.9458 -21.9458 -21.9253 -21.9253 -21.9235 -21.9235 -6.1990 -6.1990 -5.0627 -5.0627 -4.0421 -4.0421 -3.2782 -3.2782 -0.7839 -0.7839 0.3413 0.3413 0.6437 0.6437 1.0578 1.0578 3.8918 3.8918 4.4667 4.4667 5.3088 5.3088 5.8019 5.8019 k = 0.1172 0.3686 0.6915 ( 8932 PWs) bands (ev): -50.0749 -50.0749 -50.0745 -50.0745 -22.1194 -22.1194 -22.1159 -22.1159 -21.9501 -21.9501 -21.9460 -21.9460 -21.9252 -21.9252 -21.9235 -21.9235 -6.1703 -6.1703 -5.0680 -5.0680 -4.0364 -4.0364 -3.3308 -3.3308 -0.7495 -0.7495 0.3224 0.3224 0.6065 0.6065 1.0177 1.0177 3.9234 3.9234 4.4759 4.4759 5.3601 5.3601 5.7614 5.7614 k = 0.1250 0.3561 0.7063 ( 8932 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1193 -22.1193 -22.1160 -22.1160 -21.9501 -21.9501 -21.9461 -21.9461 -21.9252 -21.9252 -21.9236 -21.9236 -6.1399 -6.1399 -5.0749 -5.0749 -4.0305 -4.0305 -3.3828 -3.3828 -0.7138 -0.7138 0.3027 0.3027 0.5695 0.5695 0.9763 0.9763 3.9510 3.9510 4.4877 4.4877 5.4051 5.4051 5.7365 5.7365 k = 0.1328 0.3437 0.7210 ( 8924 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1192 -22.1192 -22.1161 -22.1161 -21.9500 -21.9500 -21.9461 -21.9461 -21.9252 -21.9252 -21.9236 -21.9236 -6.1079 -6.1079 -5.0835 -5.0835 -4.0246 -4.0246 -3.4339 -3.4339 -0.6767 -0.6767 0.2824 0.2824 0.5330 0.5330 0.9335 0.9335 3.9753 3.9753 4.5013 4.5013 5.4259 5.4259 5.7466 5.7466 k = 0.1406 0.3312 0.7357 ( 8926 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1191 -22.1191 -22.1162 -22.1162 -21.9499 -21.9499 -21.9463 -21.9463 -21.9252 -21.9252 -21.9236 -21.9236 -6.0743 -6.0743 -5.0941 -5.0941 -4.0185 -4.0185 -3.4836 -3.4836 -0.6385 -0.6385 0.2616 0.2616 0.4975 0.4975 0.8896 0.8896 3.9973 3.9973 4.5162 4.5162 5.4129 5.4129 5.8014 5.8014 k = 0.1484 0.3187 0.7504 ( 8928 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1191 -22.1191 -22.1163 -22.1163 -21.9498 -21.9498 -21.9464 -21.9464 -21.9251 -21.9251 -21.9236 -21.9236 -6.0391 -6.0391 -5.1069 -5.1069 -4.0124 -4.0124 -3.5314 -3.5314 -0.5991 -0.5991 0.2404 0.2404 0.4633 0.4633 0.8446 0.8446 4.0179 4.0179 4.5316 4.5316 5.3773 5.3773 5.8836 5.8836 k = 0.1562 0.3063 0.7651 ( 8928 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1190 -22.1190 -22.1164 -22.1164 -21.9497 -21.9497 -21.9465 -21.9465 -21.9251 -21.9251 -21.9237 -21.9237 -6.0025 -6.0025 -5.1221 -5.1221 -4.0061 -4.0061 -3.5770 -3.5770 -0.5586 -0.5586 0.2191 0.2191 0.4309 0.4309 0.7988 0.7988 4.0379 4.0379 4.5468 4.5468 5.3326 5.3326 5.8896 5.8896 k = 0.1641 0.2938 0.7798 ( 8930 PWs) bands (ev): -50.0749 -50.0749 -50.0746 -50.0746 -22.1189 -22.1189 -22.1165 -22.1165 -21.9496 -21.9496 -21.9466 -21.9466 -21.9251 -21.9251 -21.9237 -21.9237 -5.9645 -5.9645 -5.1397 -5.1397 -3.9999 -3.9999 -3.6201 -3.6201 -0.5173 -0.5173 0.1976 0.1976 0.4006 0.4006 0.7524 0.7524 4.0582 4.0582 4.5609 4.5609 5.2860 5.2860 5.8455 5.8455 k = 0.1719 0.2813 0.7945 ( 8924 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1188 -22.1188 -22.1166 -22.1166 -21.9495 -21.9495 -21.9467 -21.9467 -21.9251 -21.9251 -21.9237 -21.9237 -5.9253 -5.9253 -5.1601 -5.1601 -3.9935 -3.9935 -3.6605 -3.6605 -0.4752 -0.4752 0.1761 0.1761 0.3728 0.3728 0.7056 0.7056 4.0793 4.0793 4.5727 4.5727 5.2418 5.2418 5.7959 5.7959 k = 0.1797 0.2689 0.8092 ( 8926 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1187 -22.1187 -22.1167 -22.1167 -21.9494 -21.9494 -21.9468 -21.9468 -21.9251 -21.9251 -21.9238 -21.9238 -5.8850 -5.8850 -5.1831 -5.1831 -3.9869 -3.9869 -3.6980 -3.6980 -0.4324 -0.4324 0.1547 0.1547 0.3478 0.3478 0.6587 0.6587 4.1017 4.1017 4.5809 4.5809 5.2029 5.2029 5.7436 5.7436 k = 0.1875 0.2564 0.8240 ( 8934 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1186 -22.1186 -22.1168 -22.1168 -21.9493 -21.9493 -21.9469 -21.9469 -21.9251 -21.9251 -21.9238 -21.9238 -5.8437 -5.8437 -5.2089 -5.2089 -3.9802 -3.9802 -3.7324 -3.7324 -0.3893 -0.3893 0.1332 0.1332 0.3260 0.3260 0.6121 0.6121 4.1259 4.1259 4.5839 4.5839 5.1717 5.1717 5.6897 5.6897 k = 0.1953 0.2439 0.8387 ( 8934 PWs) bands (ev): -50.0748 -50.0748 -50.0746 -50.0746 -22.1185 -22.1185 -22.1169 -22.1169 -21.9492 -21.9492 -21.9471 -21.9471 -21.9250 -21.9250 -21.9239 -21.9239 -5.8015 -5.8015 -5.2373 -5.2373 -3.9733 -3.9733 -3.7638 -3.7638 -0.3459 -0.3459 0.1116 0.1116 0.3079 0.3079 0.5661 0.5661 4.1519 4.1519 4.5802 4.5802 5.1503 5.1503 5.6349 5.6349 k = 0.2031 0.2315 0.8534 ( 8934 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1184 -22.1184 -22.1170 -22.1170 -21.9491 -21.9491 -21.9472 -21.9472 -21.9250 -21.9250 -21.9239 -21.9239 -5.7586 -5.7586 -5.2683 -5.2683 -3.9660 -3.9660 -3.7921 -3.7921 -0.3027 -0.3027 0.0897 0.0897 0.2938 0.2938 0.5213 0.5213 4.1799 4.1799 4.5690 4.5690 5.1400 5.1400 5.5800 5.5800 k = 0.2109 0.2190 0.8681 ( 8932 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1183 -22.1183 -22.1172 -22.1172 -21.9490 -21.9490 -21.9473 -21.9473 -21.9250 -21.9250 -21.9239 -21.9239 -5.7152 -5.7152 -5.3018 -5.3018 -3.9583 -3.9583 -3.8176 -3.8176 -0.2599 -0.2599 0.0673 0.0673 0.2841 0.2841 0.4781 0.4781 4.2100 4.2100 4.5501 4.5501 5.1411 5.1411 5.5255 5.5255 k = 0.2188 0.2065 0.8828 ( 8922 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1182 -22.1182 -22.1173 -22.1173 -21.9489 -21.9489 -21.9474 -21.9474 -21.9250 -21.9250 -21.9239 -21.9239 -5.6714 -5.6714 -5.3375 -5.3375 -3.9501 -3.9501 -3.8403 -3.8403 -0.2180 -0.2180 0.0439 0.0439 0.2792 0.2792 0.4374 0.4374 4.2421 4.2421 4.5245 4.5245 5.1529 5.1529 5.4720 5.4720 k = 0.2266 0.1941 0.8975 ( 8926 PWs) bands (ev): -50.0748 -50.0748 -50.0747 -50.0747 -22.1181 -22.1181 -22.1174 -22.1174 -21.9488 -21.9488 -21.9475 -21.9475 -21.9250 -21.9250 -21.9239 -21.9239 -5.6275 -5.6275 -5.3751 -5.3751 -3.9411 -3.9411 -3.8604 -3.8604 -0.1773 -0.1773 0.0192 0.0192 0.2795 0.2795 0.3999 0.3999 4.2760 4.2760 4.4937 4.4937 5.1740 5.1740 5.4199 5.4199 k = 0.2344 0.1816 0.9122 ( 8924 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1175 -22.1175 -21.9488 -21.9488 -21.9475 -21.9475 -21.9250 -21.9250 -21.9239 -21.9239 -5.5837 -5.5837 -5.4145 -5.4145 -3.9312 -3.9312 -3.8782 -3.8782 -0.1384 -0.1384 -0.0073 -0.0073 0.2853 0.2853 0.3664 0.3664 4.3114 4.3114 4.4593 4.4593 5.2028 5.2028 5.3698 5.3698 k = 0.2422 0.1691 0.9270 ( 8926 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1178 -22.1176 -22.1176 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.5402 -5.5402 -5.4554 -5.4554 -3.9202 -3.9202 -3.8939 -3.8939 -0.1018 -0.1018 -0.0361 -0.0361 0.2969 0.2969 0.3377 0.3377 4.3481 4.3481 4.4228 4.4228 5.2379 5.2379 5.3224 5.3224 k = 0.2500 0.1566 0.9417 ( 8932 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.4976 -5.4976 -5.4971 -5.4971 -3.9086 -3.9086 -3.9071 -3.9071 -0.0695 -0.0695 -0.0657 -0.0657 0.3137 0.3137 0.3150 0.3150 4.3851 4.3851 4.3859 4.3859 5.2758 5.2758 5.2803 5.2803 k = 0.2500 0.1566 0.9417 ( 8932 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.4976 -5.4976 -5.4971 -5.4971 -3.9086 -3.9086 -3.9071 -3.9071 -0.0695 -0.0695 -0.0657 -0.0657 0.3137 0.3137 0.3150 0.3150 4.3851 4.3851 4.3859 4.3859 5.2758 5.2758 5.2803 5.2803 k = 0.2647 0.1659 0.9308 ( 8933 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1176 -22.1176 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.5186 -5.5186 -5.4764 -5.4764 -3.9140 -3.9140 -3.9012 -3.9012 -0.0900 -0.0900 -0.0515 -0.0515 0.3061 0.3061 0.3315 0.3315 4.3589 4.3589 4.3916 4.3916 5.2650 5.2650 5.3178 5.3178 k = 0.2794 0.1751 0.9199 ( 8931 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1176 -22.1176 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.5379 -5.5379 -5.4581 -5.4581 -3.9186 -3.9186 -3.8949 -3.8949 -0.1199 -0.1199 -0.0384 -0.0384 0.3027 0.3027 0.3595 0.3595 4.3194 4.3194 4.3733 4.3733 5.2694 5.2694 5.3890 5.3890 k = 0.2941 0.1843 0.9090 ( 8928 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1176 -22.1176 -21.9487 -21.9487 -21.9476 -21.9476 -21.9249 -21.9249 -21.9240 -21.9240 -5.5553 -5.5553 -5.4426 -5.4426 -3.9217 -3.9217 -3.8890 -3.8890 -0.1533 -0.1533 -0.0290 -0.0290 0.3045 0.3045 0.3949 0.3949 4.2697 4.2697 4.3372 4.3372 5.2887 5.2887 5.4848 5.4848 k = 0.3088 0.1935 0.8982 ( 8926 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1175 -22.1175 -21.9487 -21.9487 -21.9476 -21.9476 -21.9249 -21.9249 -21.9240 -21.9240 -5.5707 -5.5707 -5.4302 -5.4302 -3.9232 -3.9232 -3.8834 -3.8834 -0.1874 -0.1874 -0.0235 -0.0235 0.3114 0.3114 0.4351 0.4351 4.2132 4.2132 4.2901 4.2901 5.3203 5.3203 5.5972 5.5972 k = 0.3235 0.2027 0.8873 ( 8924 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1180 -22.1180 -22.1175 -22.1175 -21.9487 -21.9487 -21.9476 -21.9476 -21.9249 -21.9249 -21.9240 -21.9240 -5.5840 -5.5840 -5.4210 -5.4210 -3.9232 -3.9232 -3.8780 -3.8780 -0.2199 -0.2199 -0.0222 -0.0222 0.3230 0.3230 0.4782 0.4782 4.1528 4.1528 4.2372 4.2372 5.3612 5.3612 5.7199 5.7199 k = 0.3382 0.2119 0.8764 ( 8920 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1180 -22.1180 -22.1174 -22.1174 -21.9487 -21.9487 -21.9476 -21.9476 -21.9249 -21.9249 -21.9240 -21.9240 -5.5953 -5.5953 -5.4153 -5.4153 -3.9215 -3.9215 -3.8728 -3.8728 -0.2495 -0.2495 -0.0244 -0.0244 0.3386 0.3386 0.5230 0.5230 4.0913 4.0913 4.1822 4.1822 5.4093 5.4093 5.8475 5.8475 k = 0.3529 0.2212 0.8655 ( 8919 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1180 -22.1180 -22.1174 -22.1174 -21.9487 -21.9487 -21.9476 -21.9476 -21.9249 -21.9249 -21.9240 -21.9240 -5.6045 -5.6045 -5.4131 -5.4131 -3.9184 -3.9184 -3.8678 -3.8678 -0.2753 -0.2753 -0.0295 -0.0295 0.3571 0.3571 0.5683 0.5683 4.0306 4.0306 4.1277 4.1277 5.4626 5.4626 5.9757 5.9757 k = 0.3676 0.2304 0.8547 ( 8919 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1180 -22.1180 -22.1174 -22.1174 -21.9487 -21.9487 -21.9476 -21.9476 -21.9248 -21.9248 -21.9240 -21.9240 -5.6115 -5.6115 -5.4144 -5.4144 -3.9138 -3.9138 -3.8629 -3.8629 -0.2966 -0.2966 -0.0367 -0.0367 0.3774 0.3774 0.6135 0.6135 3.9725 3.9725 4.0756 4.0756 5.5198 5.5198 6.0999 6.0999 k = 0.3824 0.2396 0.8438 ( 8907 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1180 -22.1180 -22.1174 -22.1174 -21.9486 -21.9486 -21.9476 -21.9476 -21.9248 -21.9248 -21.9240 -21.9240 -5.6165 -5.6165 -5.4193 -5.4193 -3.9078 -3.9078 -3.8581 -3.8581 -0.3131 -0.3131 -0.0453 -0.0453 0.3984 0.3984 0.6579 0.6579 3.9182 3.9182 4.0272 4.0272 5.5797 5.5797 6.2149 6.2149 k = 0.3971 0.2488 0.8329 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1180 -22.1180 -22.1174 -22.1174 -21.9486 -21.9486 -21.9476 -21.9476 -21.9248 -21.9248 -21.9241 -21.9241 -5.6193 -5.6193 -5.4278 -5.4278 -3.9005 -3.9005 -3.8534 -3.8534 -0.3245 -0.3245 -0.0546 -0.0546 0.4190 0.4190 0.7009 0.7009 3.8688 3.8688 3.9836 3.9836 5.6413 5.6413 6.3146 6.3146 k = 0.4118 0.2580 0.8221 ( 8909 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1174 -22.1174 -21.9486 -21.9486 -21.9477 -21.9477 -21.9247 -21.9247 -21.9241 -21.9241 -5.6199 -5.6199 -5.4398 -5.4398 -3.8921 -3.8921 -3.8487 -3.8487 -0.3310 -0.3310 -0.0640 -0.0640 0.4385 0.4385 0.7420 0.7420 3.8251 3.8251 3.9456 3.9456 5.7038 5.7038 6.3910 6.3910 k = 0.4265 0.2672 0.8112 ( 8901 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1174 -22.1174 -21.9485 -21.9485 -21.9477 -21.9477 -21.9247 -21.9247 -21.9241 -21.9241 -5.6183 -5.6183 -5.4551 -5.4551 -3.8826 -3.8826 -3.8440 -3.8440 -0.3327 -0.3327 -0.0727 -0.0727 0.4561 0.4561 0.7807 0.7807 3.7879 3.7879 3.9140 3.9140 5.7662 5.7662 6.4344 6.4344 k = 0.4412 0.2764 0.8003 ( 8905 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1179 -22.1179 -22.1174 -22.1174 -21.9485 -21.9485 -21.9477 -21.9477 -21.9246 -21.9246 -21.9242 -21.9242 -5.6146 -5.6146 -5.4738 -5.4738 -3.8722 -3.8722 -3.8392 -3.8392 -0.3301 -0.3301 -0.0800 -0.0800 0.4710 0.4710 0.8167 0.8167 3.7577 3.7577 3.8894 3.8894 5.8276 5.8276 6.4350 6.4350 k = 0.4559 0.2857 0.7894 ( 8903 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1175 -22.1175 -21.9484 -21.9484 -21.9478 -21.9478 -21.9246 -21.9246 -21.9242 -21.9242 -5.6087 -5.6087 -5.4956 -5.4956 -3.8610 -3.8610 -3.8343 -3.8343 -0.3244 -0.3244 -0.0848 -0.0848 0.4828 0.4828 0.8496 0.8496 3.7349 3.7349 3.8722 3.8722 5.8865 5.8865 6.3901 6.3901 k = 0.4706 0.2949 0.7786 ( 8901 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1175 -22.1175 -21.9484 -21.9484 -21.9478 -21.9478 -21.9246 -21.9246 -21.9242 -21.9242 -5.6006 -5.6006 -5.5203 -5.5203 -3.8493 -3.8493 -3.8291 -3.8291 -0.3167 -0.3167 -0.0859 -0.0859 0.4911 0.4911 0.8791 0.8791 3.7199 3.7199 3.8629 3.8629 5.9399 5.9399 6.3124 6.3124 k = 0.4853 0.3041 0.7677 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9483 -21.9483 -21.9478 -21.9478 -21.9246 -21.9246 -21.9242 -21.9242 -5.5903 -5.5903 -5.5477 -5.5477 -3.8374 -3.8374 -3.8233 -3.8233 -0.3091 -0.3091 -0.0813 -0.0813 0.4955 0.4955 0.9052 0.9052 3.7126 3.7126 3.8616 3.8616 5.9794 5.9794 6.2245 6.2245 k = 0.5000 0.3133 0.7568 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9483 -21.9479 -21.9479 -21.9246 -21.9246 -21.9242 -21.9242 -5.5785 -5.5785 -5.5770 -5.5770 -3.8268 -3.8268 -3.8155 -3.8155 -0.3036 -0.3036 -0.0695 -0.0695 0.4959 0.4959 0.9276 0.9276 3.7132 3.7132 3.8686 3.8686 5.9749 5.9749 6.1653 6.1653 k = 0.5000 0.3133 0.7568 ( 8914 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9483 -21.9479 -21.9479 -21.9246 -21.9246 -21.9242 -21.9242 -5.5785 -5.5785 -5.5770 -5.5770 -3.8268 -3.8268 -3.8155 -3.8155 -0.3036 -0.3036 -0.0695 -0.0695 0.4959 0.4959 0.9276 0.9276 3.7132 3.7132 3.8686 3.8686 5.9749 5.9749 6.1653 6.1653 k = 0.5000 0.3133 0.7358 ( 8920 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9484 -21.9479 -21.9478 -21.9246 -21.9246 -21.9242 -21.9242 -5.5963 -5.5963 -5.5946 -5.5946 -3.8082 -3.8082 -3.7961 -3.7961 -0.2948 -0.2948 -0.0380 -0.0380 0.4940 0.4940 0.9679 0.9679 3.7226 3.7226 3.8901 3.8901 5.8890 5.8890 6.1130 6.1130 k = 0.5000 0.3133 0.7148 ( 8916 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9484 -21.9478 -21.9478 -21.9246 -21.9246 -21.9241 -21.9241 -5.6153 -5.6153 -5.6137 -5.6137 -3.7880 -3.7880 -3.7750 -3.7750 -0.2836 -0.2836 -0.0054 -0.0054 0.4950 0.4950 1.0086 1.0086 3.7339 3.7339 3.9113 3.9113 5.7984 5.7984 6.0596 6.0596 k = 0.5000 0.3133 0.6937 ( 8912 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9484 -21.9478 -21.9478 -21.9246 -21.9246 -21.9241 -21.9241 -5.6355 -5.6355 -5.6339 -5.6339 -3.7661 -3.7661 -3.7524 -3.7524 -0.2701 -0.2701 0.0279 0.0279 0.4988 0.4988 1.0494 1.0494 3.7468 3.7468 3.9317 3.9317 5.7037 5.7037 6.0057 6.0057 k = 0.5000 0.3133 0.6727 ( 8902 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1175 -22.1175 -21.9484 -21.9484 -21.9477 -21.9477 -21.9246 -21.9246 -21.9241 -21.9241 -5.6567 -5.6567 -5.6551 -5.6551 -3.7426 -3.7426 -3.7283 -3.7283 -0.2544 -0.2544 0.0617 0.0617 0.5055 0.5055 1.0900 1.0900 3.7612 3.7612 3.9505 3.9505 5.6054 5.6054 5.9518 5.9518 k = 0.5000 0.3133 0.6517 ( 8902 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1175 -22.1175 -21.9484 -21.9484 -21.9477 -21.9477 -21.9246 -21.9246 -21.9240 -21.9240 -5.6788 -5.6788 -5.6772 -5.6772 -3.7177 -3.7177 -3.7029 -3.7029 -0.2364 -0.2364 0.0959 0.0959 0.5152 0.5152 1.1301 1.1301 3.7769 3.7769 3.9670 3.9670 5.5046 5.5046 5.8983 5.8983 k = 0.5000 0.3133 0.6307 ( 8896 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1175 -22.1175 -21.9484 -21.9484 -21.9477 -21.9477 -21.9246 -21.9246 -21.9240 -21.9240 -5.7016 -5.7016 -5.7000 -5.7000 -3.6915 -3.6915 -3.6763 -3.6763 -0.2164 -0.2164 0.1301 0.1301 0.5277 0.5277 1.1694 1.1694 3.7933 3.7933 3.9806 3.9806 5.4022 5.4022 5.8454 5.8454 k = 0.5000 0.3133 0.6097 ( 8888 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1175 -22.1175 -21.9484 -21.9484 -21.9476 -21.9476 -21.9246 -21.9246 -21.9240 -21.9240 -5.7250 -5.7250 -5.7235 -5.7235 -3.6640 -3.6640 -3.6485 -3.6485 -0.1942 -0.1942 0.1641 0.1641 0.5431 0.5431 1.2076 1.2076 3.8102 3.8102 3.9901 3.9901 5.2995 5.2995 5.7936 5.7936 k = 0.5000 0.3133 0.5886 ( 8892 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1175 -22.1175 -21.9484 -21.9484 -21.9476 -21.9476 -21.9246 -21.9246 -21.9239 -21.9239 -5.7488 -5.7488 -5.7474 -5.7474 -3.6353 -3.6353 -3.6196 -3.6196 -0.1701 -0.1701 0.1978 0.1978 0.5612 0.5612 1.2442 1.2442 3.8268 3.8268 3.9947 3.9947 5.1978 5.1978 5.7430 5.7430 k = 0.5000 0.3133 0.5676 ( 8882 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9245 -21.9239 -21.9239 -5.7729 -5.7729 -5.7716 -5.7716 -3.6056 -3.6056 -3.5898 -3.5898 -0.1441 -0.1441 0.2310 0.2310 0.5820 0.5820 1.2791 1.2791 3.8422 3.8422 3.9934 3.9934 5.0987 5.0987 5.6940 5.6940 k = 0.5000 0.3133 0.5466 ( 8884 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9245 -21.9239 -21.9239 -5.7973 -5.7973 -5.7960 -5.7960 -3.5749 -3.5749 -3.5592 -3.5592 -0.1161 -0.1161 0.2637 0.2637 0.6053 0.6053 1.3118 1.3118 3.8554 3.8554 3.9853 3.9853 5.0040 5.0040 5.6469 5.6469 k = 0.5000 0.3133 0.5256 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9246 -21.9246 -21.9239 -21.9239 -5.8217 -5.8217 -5.8205 -5.8205 -3.5435 -3.5435 -3.5278 -3.5278 -0.0865 -0.0865 0.2957 0.2957 0.6308 0.6308 1.3420 1.3420 3.8646 3.8646 3.9696 3.9696 4.9157 4.9157 5.6020 5.6020 k = 0.5000 0.3133 0.5045 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9245 -21.9239 -21.9239 -5.8460 -5.8460 -5.8449 -5.8449 -3.5113 -3.5113 -3.4958 -3.4958 -0.0551 -0.0551 0.3271 0.3271 0.6582 0.6582 1.3695 1.3695 3.8679 3.8679 3.9460 3.9460 4.8362 4.8362 5.5597 5.5597 k = 0.5000 0.3133 0.4835 ( 8910 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9245 -21.9239 -21.9239 -5.8701 -5.8701 -5.8691 -5.8691 -3.4786 -3.4786 -3.4634 -3.4634 -0.0221 -0.0221 0.3580 0.3580 0.6871 0.6871 1.3940 1.3940 3.8631 3.8631 3.9142 3.9142 4.7682 4.7682 5.5202 5.5202 k = 0.5000 0.3133 0.4625 ( 8896 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9245 -21.9238 -21.9238 -5.8940 -5.8940 -5.8930 -5.8930 -3.4454 -3.4454 -3.4305 -3.4305 0.0125 0.0125 0.3884 0.3884 0.7173 0.7173 1.4153 1.4153 3.8479 3.8479 3.8747 3.8747 4.7141 4.7141 5.4837 5.4837 k = 0.5000 0.3133 0.4415 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9245 -21.9238 -21.9238 -5.9175 -5.9175 -5.9166 -5.9166 -3.4118 -3.4118 -3.3974 -3.3974 0.0485 0.0485 0.4184 0.4184 0.7482 0.7482 1.4331 1.4331 3.8203 3.8203 3.8281 3.8281 4.6760 4.6760 5.4499 5.4499 k = 0.5000 0.3133 0.4204 ( 8902 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9244 -21.9238 -21.9238 -5.9405 -5.9405 -5.9397 -5.9397 -3.3781 -3.3781 -3.3643 -3.3643 0.0859 0.0859 0.4481 0.4481 0.7796 0.7796 1.4473 1.4473 3.7740 3.7740 3.7817 3.7817 4.6541 4.6541 5.4187 5.4187 k = 0.5000 0.3133 0.3994 ( 8910 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9244 -21.9244 -21.9238 -21.9238 -5.9630 -5.9630 -5.9622 -5.9622 -3.3444 -3.3444 -3.3311 -3.3311 0.1245 0.1245 0.4774 0.4774 0.8111 0.8111 1.4578 1.4578 3.7158 3.7158 3.7309 3.7309 4.6475 4.6475 5.3900 5.3900 k = 0.5000 0.3133 0.3784 ( 8926 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9245 -21.9245 -21.9238 -21.9238 -5.9848 -5.9848 -5.9840 -5.9840 -3.3108 -3.3108 -3.2982 -3.2982 0.1644 0.1644 0.5066 0.5066 0.8422 0.8422 1.4645 1.4645 3.6534 3.6534 3.6714 3.6714 4.6538 4.6538 5.3636 5.3636 k = 0.5000 0.3133 0.3574 ( 8928 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9244 -21.9244 -21.9238 -21.9238 -6.0058 -6.0058 -6.0051 -6.0051 -3.2775 -3.2775 -3.2656 -3.2656 0.2053 0.2053 0.5354 0.5354 0.8729 0.8729 1.4675 1.4675 3.5881 3.5881 3.6059 3.6059 4.6707 4.6707 5.3395 5.3395 k = 0.5000 0.3133 0.3364 ( 8936 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9484 -21.9484 -21.9476 -21.9476 -21.9244 -21.9244 -21.9238 -21.9238 -6.0260 -6.0260 -6.0253 -6.0253 -3.2446 -3.2446 -3.2335 -3.2335 0.2472 0.2472 0.5640 0.5640 0.9026 0.9026 1.4666 1.4666 3.5210 3.5210 3.5367 3.5367 4.6955 4.6955 5.3176 5.3176 k = 0.5000 0.3133 0.3153 ( 8936 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9483 -21.9483 -21.9476 -21.9476 -21.9244 -21.9244 -21.9238 -21.9238 -6.0454 -6.0454 -6.0447 -6.0447 -3.2124 -3.2124 -3.2021 -3.2021 0.2900 0.2900 0.5923 0.5923 0.9313 0.9313 1.4620 1.4620 3.4532 3.4532 3.4658 3.4658 4.7263 4.7263 5.2978 5.2978 k = 0.5000 0.3133 0.2943 ( 8940 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9483 -21.9483 -21.9476 -21.9476 -21.9244 -21.9244 -21.9238 -21.9238 -6.0638 -6.0638 -6.0631 -6.0631 -3.1811 -3.1811 -3.1716 -3.1716 0.3336 0.3336 0.6201 0.6201 0.9586 0.9586 1.4538 1.4538 3.3857 3.3857 3.3950 3.3950 4.7615 4.7615 5.2802 5.2802 k = 0.5000 0.3133 0.2733 ( 8948 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1174 -22.1174 -21.9483 -21.9483 -21.9476 -21.9476 -21.9244 -21.9244 -21.9238 -21.9238 -6.0812 -6.0811 -6.0806 -6.0806 -3.1507 -3.1507 -3.1421 -3.1421 0.3778 0.3778 0.6474 0.6474 0.9845 0.9845 1.4421 1.4421 3.3192 3.3192 3.3256 3.3256 4.7996 4.7996 5.2648 5.2648 k = 0.5000 0.3133 0.2523 ( 8940 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1175 -22.1175 -22.1173 -22.1173 -21.9483 -21.9483 -21.9476 -21.9476 -21.9243 -21.9243 -21.9238 -21.9238 -6.0975 -6.0975 -6.0969 -6.0969 -3.1215 -3.1215 -3.1138 -3.1138 0.4225 0.4225 0.6741 0.6741 1.0086 1.0086 1.4270 1.4270 3.2547 3.2547 3.2585 3.2585 4.8398 4.8398 5.2513 5.2513 k = 0.5000 0.3133 0.2312 ( 8940 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1173 -22.1173 -21.9482 -21.9482 -21.9477 -21.9477 -21.9243 -21.9243 -21.9238 -21.9238 -6.1127 -6.1127 -6.1121 -6.1121 -3.0937 -3.0937 -3.0869 -3.0869 0.4676 0.4676 0.6998 0.6998 1.0310 1.0310 1.4089 1.4089 3.1925 3.1925 3.1946 3.1946 4.8809 4.8809 5.2398 5.2398 k = 0.5000 0.3133 0.2102 ( 8940 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1173 -22.1173 -21.9482 -21.9482 -21.9477 -21.9477 -21.9243 -21.9242 -21.9238 -21.9238 -6.1267 -6.1267 -6.1261 -6.1261 -3.0676 -3.0676 -3.0616 -3.0616 0.5128 0.5128 0.7246 0.7246 1.0515 1.0515 1.3879 1.3879 3.1332 3.1332 3.1349 3.1349 4.9224 4.9224 5.2301 5.2301 k = 0.5000 0.3133 0.1892 ( 8946 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1173 -22.1173 -21.9482 -21.9482 -21.9477 -21.9477 -21.9242 -21.9242 -21.9239 -21.9238 -6.1395 -6.1395 -6.1390 -6.1390 -3.0432 -3.0432 -3.0381 -3.0381 0.5580 0.5580 0.7481 0.7481 1.0700 1.0700 1.3643 1.3643 3.0775 3.0775 3.0796 3.0796 4.9636 4.9636 5.2220 5.2220 k = 0.5000 0.3133 0.1682 ( 8934 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1173 -22.1173 -21.9481 -21.9481 -21.9477 -21.9477 -21.9242 -21.9242 -21.9238 -21.9238 -6.1511 -6.1511 -6.1506 -6.1505 -3.0207 -3.0207 -3.0165 -3.0165 0.6030 0.6030 0.7701 0.7701 1.0865 1.0865 1.3384 1.3384 3.0263 3.0263 3.0289 3.0289 5.0037 5.0037 5.2156 5.2156 k = 0.5000 0.3133 0.1472 ( 8942 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1173 -22.1173 -21.9481 -21.9481 -21.9477 -21.9477 -21.9242 -21.9242 -21.9239 -21.9239 -6.1614 -6.1614 -6.1608 -6.1608 -3.0005 -3.0005 -2.9970 -2.9970 0.6473 0.6473 0.7904 0.7904 1.1010 1.1010 1.3106 1.3106 2.9803 2.9803 2.9829 2.9829 5.0421 5.0421 5.2105 5.2105 k = 0.5000 0.3133 0.1261 ( 8936 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1174 -22.1173 -22.1173 -21.9481 -21.9481 -21.9477 -21.9477 -21.9242 -21.9241 -21.9239 -21.9239 -6.1703 -6.1703 -6.1698 -6.1698 -2.9825 -2.9825 -2.9797 -2.9797 0.6907 0.6907 0.8087 0.8087 1.1134 1.1134 1.2815 1.2815 2.9397 2.9397 2.9422 2.9422 5.0782 5.0782 5.2066 5.2066 k = 0.5000 0.3133 0.1051 ( 8934 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1174 -22.1173 -22.1173 -22.1173 -21.9480 -21.9480 -21.9478 -21.9478 -21.9241 -21.9241 -21.9239 -21.9239 -6.1780 -6.1780 -6.1775 -6.1775 -2.9670 -2.9670 -2.9648 -2.9648 0.7325 0.7325 0.8248 0.8248 1.1238 1.1238 1.2516 1.2516 2.9049 2.9049 2.9070 2.9070 5.1113 5.1113 5.2037 5.2037 k = 0.5000 0.3133 0.0841 ( 8930 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9480 -21.9480 -21.9478 -21.9478 -21.9241 -21.9241 -21.9239 -21.9239 -6.1843 -6.1843 -6.1837 -6.1837 -2.9541 -2.9541 -2.9525 -2.9525 0.7718 0.7718 0.8384 0.8384 1.1321 1.1321 1.2219 1.2219 2.8761 2.8761 2.8778 2.8778 5.1404 5.1404 5.2016 5.2016 k = 0.5000 0.3133 0.0631 ( 8922 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9480 -21.9480 -21.9478 -21.9478 -21.9240 -21.9240 -21.9239 -21.9239 -6.1892 -6.1892 -6.1886 -6.1886 -2.9440 -2.9440 -2.9428 -2.9428 0.8072 0.8072 0.8493 0.8493 1.1386 1.1386 1.1939 1.1939 2.8535 2.8535 2.8547 2.8547 5.1647 5.1647 5.2002 5.2002 k = 0.5000 0.3133 0.0420 ( 8928 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9478 -21.9478 -21.9240 -21.9240 -21.9239 -21.9239 -6.1927 -6.1927 -6.1922 -6.1922 -2.9367 -2.9367 -2.9358 -2.9358 0.8366 0.8366 0.8572 0.8572 1.1432 1.1432 1.1698 1.1698 2.8373 2.8373 2.8380 2.8380 5.1832 5.1832 5.1993 5.1993 k = 0.5000 0.3133 0.0210 ( 8930 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9479 -21.9479 -21.9240 -21.9240 -21.9240 -21.9240 -6.1948 -6.1948 -6.1943 -6.1943 -2.9322 -2.9322 -2.9316 -2.9316 0.8568 0.8568 0.8621 0.8621 1.1459 1.1459 1.1528 1.1528 2.8275 2.8275 2.8280 2.8280 5.1948 5.1948 5.1989 5.1989 k = 0.5000 0.3133-0.0000 ( 8916 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1173 -22.1173 -22.1173 -22.1173 -21.9479 -21.9479 -21.9479 -21.9479 -21.9239 -21.9239 -21.9239 -21.9239 -6.1955 -6.1955 -6.1950 -6.1950 -2.9307 -2.9307 -2.9302 -2.9302 0.8637 0.8637 0.8641 0.8641 1.1465 1.1465 1.1468 1.1468 2.8243 2.8243 2.8246 2.8246 5.1987 5.1987 5.1988 5.1988 k = 0.0000 0.0000 0.9417 ( 8886 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1176 -22.1176 -22.1176 -22.1176 -21.9481 -21.9481 -21.9481 -21.9481 -21.9244 -21.9244 -21.9244 -21.9244 -5.4980 -5.4980 -5.4980 -5.4980 -3.9039 -3.9039 -3.9039 -3.9039 -0.2754 -0.2754 -0.2754 -0.2754 0.6281 0.6281 0.6281 0.6281 3.7189 3.7189 3.7189 3.7189 6.4272 6.4272 6.4272 6.4272 k = 0.0179 0.0112 0.9417 ( 8894 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9482 -21.9482 -21.9480 -21.9480 -21.9245 -21.9245 -21.9244 -21.9243 -5.4980 -5.4980 -5.4980 -5.4980 -3.9040 -3.9040 -3.9038 -3.9038 -0.2737 -0.2737 -0.2735 -0.2735 0.6249 0.6249 0.6249 0.6249 3.7248 3.7248 3.7249 3.7249 6.4093 6.4093 6.4099 6.4099 k = 0.0357 0.0224 0.9417 ( 8906 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1177 -22.1177 -21.9483 -21.9482 -21.9480 -21.9480 -21.9245 -21.9245 -21.9243 -21.9243 -5.4980 -5.4980 -5.4979 -5.4979 -3.9042 -3.9042 -3.9039 -3.9039 -0.2685 -0.2685 -0.2680 -0.2680 0.6153 0.6153 0.6154 0.6154 3.7423 3.7423 3.7425 3.7425 6.3590 6.3590 6.3601 6.3601 k = 0.0536 0.0336 0.9417 ( 8904 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1177 -22.1177 -21.9483 -21.9483 -21.9479 -21.9479 -21.9246 -21.9246 -21.9242 -21.9242 -5.4980 -5.4980 -5.4978 -5.4978 -3.9046 -3.9046 -3.9040 -3.9040 -0.2599 -0.2599 -0.2591 -0.2591 0.5997 0.5997 0.5998 0.5998 3.7710 3.7710 3.7713 3.7713 6.2834 6.2834 6.2849 6.2849 k = 0.0714 0.0448 0.9417 ( 8900 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9484 -21.9479 -21.9479 -21.9246 -21.9246 -21.9242 -21.9242 -5.4980 -5.4980 -5.4978 -5.4978 -3.9049 -3.9049 -3.9043 -3.9043 -0.2479 -0.2479 -0.2469 -0.2469 0.5787 0.5787 0.5788 0.5788 3.8104 3.8104 3.8107 3.8107 6.1897 6.1897 6.1916 6.1916 k = 0.0893 0.0559 0.9417 ( 8890 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9484 -21.9484 -21.9478 -21.9478 -21.9247 -21.9247 -21.9241 -21.9241 -5.4980 -5.4980 -5.4977 -5.4977 -3.9054 -3.9054 -3.9046 -3.9046 -0.2328 -0.2328 -0.2315 -0.2315 0.5531 0.5531 0.5531 0.5531 3.8595 3.8595 3.8598 3.8598 6.0843 6.0843 6.0865 6.0865 k = 0.1071 0.0671 0.9417 ( 8902 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9485 -21.9485 -21.9478 -21.9477 -21.9247 -21.9247 -21.9241 -21.9241 -5.4979 -5.4979 -5.4976 -5.4976 -3.9059 -3.9059 -3.9049 -3.9049 -0.2149 -0.2149 -0.2134 -0.2134 0.5236 0.5236 0.5236 0.5236 3.9171 3.9171 3.9175 3.9175 5.9718 5.9718 5.9743 5.9743 k = 0.1250 0.0783 0.9417 ( 8898 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1177 -22.1177 -22.1176 -22.1176 -21.9485 -21.9485 -21.9477 -21.9477 -21.9248 -21.9248 -21.9241 -21.9240 -5.4979 -5.4979 -5.4975 -5.4975 -3.9064 -3.9064 -3.9053 -3.9053 -0.1947 -0.1947 -0.1928 -0.1928 0.4913 0.4913 0.4913 0.4913 3.9820 3.9820 3.9823 3.9823 5.8560 5.8560 5.8587 5.8587 k = 0.1429 0.0895 0.9417 ( 8912 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1176 -22.1176 -21.9486 -21.9486 -21.9477 -21.9477 -21.9248 -21.9248 -21.9240 -21.9240 -5.4978 -5.4978 -5.4974 -5.4974 -3.9069 -3.9069 -3.9057 -3.9057 -0.1725 -0.1725 -0.1704 -0.1704 0.4573 0.4573 0.4575 0.4575 4.0523 4.0523 4.0526 4.0526 5.7401 5.7401 5.7430 5.7430 k = 0.1607 0.1007 0.9417 ( 8918 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9486 -21.9486 -21.9477 -21.9477 -21.9249 -21.9249 -21.9240 -21.9240 -5.4978 -5.4978 -5.4973 -5.4973 -3.9074 -3.9074 -3.9061 -3.9061 -0.1493 -0.1493 -0.1469 -0.1469 0.4230 0.4230 0.4234 0.4234 4.1259 4.1259 4.1261 4.1261 5.6271 5.6271 5.6303 5.6303 k = 0.1786 0.1119 0.9417 ( 8928 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9487 -21.9487 -21.9477 -21.9477 -21.9249 -21.9249 -21.9240 -21.9240 -5.4977 -5.4977 -5.4972 -5.4972 -3.9078 -3.9078 -3.9064 -3.9064 -0.1262 -0.1262 -0.1234 -0.1234 0.3899 0.3899 0.3905 0.3905 4.1998 4.1998 4.1998 4.1998 5.5206 5.5206 5.5241 5.5241 k = 0.1964 0.1231 0.9417 ( 8938 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.4977 -5.4977 -5.4972 -5.4972 -3.9081 -3.9081 -3.9067 -3.9067 -0.1045 -0.1045 -0.1014 -0.1014 0.3601 0.3601 0.3609 0.3609 4.2694 4.2694 4.2696 4.2696 5.4251 5.4251 5.4290 5.4290 k = 0.2143 0.1343 0.9417 ( 8938 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.4977 -5.4977 -5.4971 -5.4971 -3.9084 -3.9084 -3.9069 -3.9069 -0.0863 -0.0863 -0.0829 -0.0829 0.3357 0.3357 0.3368 0.3368 4.3289 4.3289 4.3293 4.3293 5.3471 5.3471 5.3512 5.3512 k = 0.2321 0.1455 0.9417 ( 8928 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.4976 -5.4976 -5.4971 -5.4971 -3.9086 -3.9086 -3.9070 -3.9070 -0.0739 -0.0739 -0.0703 -0.0703 0.3195 0.3195 0.3207 0.3207 4.3701 4.3701 4.3708 4.3708 5.2946 5.2946 5.2990 5.2990 k = 0.2500 0.1566 0.9417 ( 8932 PWs) bands (ev): -50.0747 -50.0747 -50.0747 -50.0747 -22.1178 -22.1178 -22.1177 -22.1177 -21.9487 -21.9487 -21.9476 -21.9476 -21.9250 -21.9250 -21.9240 -21.9240 -5.4976 -5.4976 -5.4971 -5.4971 -3.9086 -3.9086 -3.9071 -3.9071 -0.0695 -0.0695 -0.0657 -0.0657 0.3137 0.3137 0.3150 0.3150 4.3851 4.3851 4.3859 4.3859 5.2758 5.2758 5.2803 5.2803 Writing output data file NaAlH4.save init_run : 0.31s CPU 0.47s WALL ( 1 calls) electrons : 181.68s CPU 183.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 181.68s CPU 183.63s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.10s WALL ( 298 calls) cegterg : 161.14s CPU 162.33s WALL ( 308 calls) Called by sum_band: Called by *egterg: h_psi : 130.79s CPU 131.88s WALL ( 5712 calls) s_psi : 3.20s CPU 3.27s WALL ( 5712 calls) g_psi : 0.28s CPU 0.30s WALL ( 5106 calls) cdiaghg : 27.49s CPU 27.70s WALL ( 5404 calls) cegterg:over : 5.67s CPU 5.65s WALL ( 5106 calls) cegterg:upda : 6.08s CPU 6.14s WALL ( 5106 calls) cegterg:last : 3.01s CPU 3.02s WALL ( 904 calls) cdiaghg:chol : 1.62s CPU 1.63s WALL ( 5404 calls) cdiaghg:inve : 0.70s CPU 0.87s WALL ( 5404 calls) cdiaghg:para : 1.66s CPU 1.57s WALL ( 10808 calls) Called by h_psi: h_psi:vloc : 122.75s CPU 123.67s WALL ( 5712 calls) h_psi:vnl : 7.80s CPU 7.93s WALL ( 5712 calls) add_vuspsi : 3.66s CPU 3.76s WALL ( 5712 calls) General routines calbec : 4.12s CPU 4.15s WALL ( 5712 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 114.72s CPU 115.39s WALL ( 483968 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.31s WALL ( 596 calls) Parallel routines fft_scatter : 35.87s CPU 36.19s WALL ( 483991 calls) PWSCF : 3m20.77s CPU 3m42.81s WALL This run was terminated on: 19:33:23 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=