Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:14:24 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: ./Na2H2Pd.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 123 60 17 2945 1005 161 Max 124 61 18 2947 1028 163 Sum 4457 2187 643 106067 36583 5839 bravais-lattice index = 14 lattice parameter (alat) = 11.7153 a.u. unit-cell volume = 493.3915 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.715284 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.831771 celldm(5)= -0.831771 celldm(6)= 0.663542 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.663542 0.748139 0.000000 ) a(3) = ( -0.831771 -0.374070 0.410158 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.886922 1.219044 ) b(2) = ( 0.000000 1.336649 1.219044 ) b(3) = ( 0.000000 0.000000 2.438088 ) 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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) Pd 18.00 106.42000 Pd( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0000000 0.0196620), wk = 0.0026178 k( 3) = ( 0.0000000 0.0000000 0.0393240), wk = 0.0026178 k( 4) = ( 0.0000000 0.0000000 0.0589860), wk = 0.0026178 k( 5) = ( 0.0000000 0.0000000 0.0786480), wk = 0.0026178 k( 6) = ( 0.0000000 0.0000000 0.0983100), wk = 0.0026178 k( 7) = ( 0.0000000 0.0000000 0.1179720), wk = 0.0026178 k( 8) = ( 0.0000000 0.0000000 0.1376340), wk = 0.0026178 k( 9) = ( 0.0000000 0.0000000 0.1572960), wk = 0.0026178 k( 10) = ( 0.0000000 0.0000000 0.1769580), wk = 0.0026178 k( 11) = ( 0.0000000 0.0000000 0.1966200), wk = 0.0026178 k( 12) = ( 0.0000000 0.0000000 0.2162820), wk = 0.0026178 k( 13) = ( 0.0000000 0.0000000 0.2359439), wk = 0.0026178 k( 14) = ( 0.0000000 0.0000000 0.2556059), wk = 0.0026178 k( 15) = ( 0.0000000 0.0000000 0.2752680), wk = 0.0026178 k( 16) = ( 0.0000000 0.0000000 0.2949299), wk = 0.0026178 k( 17) = ( 0.0000000 0.0000000 0.3145919), wk = 0.0026178 k( 18) = ( 0.0000000 0.0000000 0.3342539), wk = 0.0026178 k( 19) = ( 0.0000000 0.0000000 0.3539159), wk = 0.0026178 k( 20) = ( 0.0000000 0.0000000 0.3735779), wk = 0.0026178 k( 21) = ( 0.0000000 0.0000000 0.3932399), wk = 0.0026178 k( 22) = ( 0.0000000 0.0000000 0.4129019), wk = 0.0026178 k( 23) = ( 0.0000000 0.0000000 0.4325639), wk = 0.0026178 k( 24) = ( 0.0000000 0.0000000 0.4522259), wk = 0.0026178 k( 25) = ( 0.0000000 0.0000000 0.4718879), wk = 0.0026178 k( 26) = ( 0.0000000 0.0000000 0.4915499), wk = 0.0026178 k( 27) = ( 0.0000000 0.0000000 0.5112119), wk = 0.0026178 k( 28) = ( 0.0000000 0.0000000 0.5308739), wk = 0.0026178 k( 29) = ( 0.0000000 0.0000000 0.5505359), wk = 0.0026178 k( 30) = ( 0.0000000 0.0000000 0.5701979), wk = 0.0026178 k( 31) = ( 0.0000000 0.0000000 0.5898599), wk = 0.0026178 k( 32) = ( 0.0000000 0.0000000 0.6095219), wk = 0.0026178 k( 33) = ( 0.0000000 0.0000000 0.6291839), wk = 0.0026178 k( 34) = ( 0.0000000 0.0000000 0.6488459), wk = 0.0026178 k( 35) = ( 0.0000000 0.0000000 0.6685079), wk = 0.0026178 k( 36) = ( 0.0000000 0.0000000 0.6881698), wk = 0.0026178 k( 37) = ( 0.0000000 0.0000000 0.7078319), wk = 0.0026178 k( 38) = ( 0.0000000 0.0000000 0.7274939), wk = 0.0026178 k( 39) = ( 0.0000000 0.0000000 0.7471558), wk = 0.0026178 k( 40) = ( 0.0000000 0.0000000 0.7668178), wk = 0.0026178 k( 41) = ( 0.0000000 0.0000000 0.7864799), wk = 0.0026178 k( 42) = ( 0.0000000 0.0000000 0.8061418), wk = 0.0026178 k( 43) = ( 0.0000000 0.0000000 0.8258038), wk = 0.0026178 k( 44) = ( 0.0000000 0.0000000 0.8454658), wk = 0.0026178 k( 45) = ( 0.0000000 0.0000000 0.8651278), wk = 0.0026178 k( 46) = ( 0.0000000 0.0000000 0.8847898), wk = 0.0026178 k( 47) = ( 0.0000000 0.0000000 0.9044518), wk = 0.0026178 k( 48) = ( 0.0000000 0.0000000 0.9241138), wk = 0.0026178 k( 49) = ( 0.0000000 0.0000000 0.9437758), wk = 0.0026178 k( 50) = ( 0.0000000 0.0000000 0.9634378), wk = 0.0026178 k( 51) = ( 0.0000000 0.0000000 0.9830998), wk = 0.0026178 k( 52) = ( 0.0000000 0.0000000 1.0027618), wk = 0.0026178 k( 53) = ( 0.0000000 0.0000000 1.0224238), wk = 0.0026178 k( 54) = ( 0.0000000 0.0000000 1.0420858), wk = 0.0026178 k( 55) = ( 0.0000000 0.0000000 1.0617478), wk = 0.0026178 k( 56) = ( 0.0000000 0.0000000 1.0814098), wk = 0.0026178 k( 57) = ( 0.0000000 0.0000000 1.1010718), wk = 0.0026178 k( 58) = ( 0.0000000 0.0000000 1.1207338), wk = 0.0026178 k( 59) = ( 0.0000000 0.0000000 1.1403958), wk = 0.0026178 k( 60) = ( 0.0000000 0.0000000 1.1600578), wk = 0.0026178 k( 61) = ( 0.0000000 0.0000000 1.1797198), wk = 0.0026178 k( 62) = ( 0.0000000 0.0000000 1.1993817), wk = 0.0026178 k( 63) = ( 0.0000000 0.0000000 1.2190438), wk = 0.0026178 k( 64) = ( 0.0000000 0.0000000 1.2190438), wk = 0.0026178 k( 65) = ( -0.0072234 0.0160617 1.2190438), wk = 0.0026178 k( 66) = ( -0.0144467 0.0321234 1.2190438), wk = 0.0026178 k( 67) = ( -0.0216701 0.0481850 1.2190438), wk = 0.0026178 k( 68) = ( -0.0288935 0.0642467 1.2190438), wk = 0.0026178 k( 69) = ( -0.0361168 0.0803084 1.2190438), wk = 0.0026178 k( 70) = ( -0.0433402 0.0963701 1.2190438), wk = 0.0026178 k( 71) = ( -0.0505636 0.1124317 1.2190438), wk = 0.0026178 k( 72) = ( -0.0505636 0.1124317 1.2190438), wk = 0.0026178 k( 73) = ( -0.0561815 0.1249237 1.2053467), wk = 0.0026178 k( 74) = ( -0.0617995 0.1374156 1.1916496), wk = 0.0026178 k( 75) = ( -0.0674174 0.1499075 1.1779525), wk = 0.0026178 k( 76) = ( -0.0730354 0.1623994 1.1642555), wk = 0.0026178 k( 77) = ( -0.0786533 0.1748914 1.1505584), wk = 0.0026178 k( 78) = ( -0.0842713 0.1873833 1.1368614), wk = 0.0026178 k( 79) = ( -0.0898893 0.1998752 1.1231643), wk = 0.0026178 k( 80) = ( -0.0955072 0.2123671 1.1094672), wk = 0.0026178 k( 81) = ( -0.1011252 0.2248591 1.0957701), wk = 0.0026178 k( 82) = ( -0.1067431 0.2373510 1.0820731), wk = 0.0026178 k( 83) = ( -0.1123611 0.2498429 1.0683760), wk = 0.0026178 k( 84) = ( -0.1179790 0.2623348 1.0546790), wk = 0.0026178 k( 85) = ( -0.1235970 0.2748268 1.0409819), wk = 0.0026178 k( 86) = ( -0.1292149 0.2873187 1.0272848), wk = 0.0026178 k( 87) = ( -0.1348329 0.2998106 1.0135878), wk = 0.0026178 k( 88) = ( -0.1404509 0.3123025 0.9998907), wk = 0.0026178 k( 89) = ( -0.1460688 0.3247945 0.9861936), wk = 0.0026178 k( 90) = ( -0.1516868 0.3372864 0.9724965), wk = 0.0026178 k( 91) = ( -0.1573047 0.3497783 0.9587995), wk = 0.0026178 k( 92) = ( -0.1629227 0.3622702 0.9451024), wk = 0.0026178 k( 93) = ( -0.1685406 0.3747622 0.9314054), wk = 0.0026178 k( 94) = ( -0.1741586 0.3872541 0.9177083), wk = 0.0026178 k( 95) = ( -0.1797766 0.3997460 0.9040112), wk = 0.0026178 k( 96) = ( -0.1853945 0.4122379 0.8903141), wk = 0.0026178 k( 97) = ( -0.1910125 0.4247299 0.8766171), wk = 0.0026178 k( 98) = ( -0.1966304 0.4372218 0.8629200), wk = 0.0026178 k( 99) = ( -0.2022484 0.4497137 0.8492230), wk = 0.0026178 k( 100) = ( -0.2078663 0.4622056 0.8355259), wk = 0.0026178 k( 101) = ( -0.2134843 0.4746976 0.8218288), wk = 0.0026178 k( 102) = ( -0.2191022 0.4871895 0.8081318), wk = 0.0026178 k( 103) = ( -0.2247202 0.4996814 0.7944347), wk = 0.0026178 k( 104) = ( -0.2303381 0.5121733 0.7807376), wk = 0.0026178 k( 105) = ( -0.2359561 0.5246653 0.7670405), wk = 0.0026178 k( 106) = ( -0.2415741 0.5371572 0.7533435), wk = 0.0026178 k( 107) = ( -0.2471920 0.5496491 0.7396464), wk = 0.0026178 k( 108) = ( -0.2528100 0.5621411 0.7259494), wk = 0.0026178 k( 109) = ( -0.2584279 0.5746330 0.7122523), wk = 0.0026178 k( 110) = ( -0.2640459 0.5871249 0.6985552), wk = 0.0026178 k( 111) = ( -0.2696638 0.5996168 0.6848581), wk = 0.0026178 k( 112) = ( -0.2752818 0.6121088 0.6711611), wk = 0.0026178 k( 113) = ( -0.2752818 0.6121088 0.6711611), wk = 0.0026178 k( 114) = ( -0.2696638 0.5996167 0.6574639), wk = 0.0026178 k( 115) = ( -0.2640458 0.5871247 0.6437668), wk = 0.0026178 k( 116) = ( -0.2584278 0.5746327 0.6300696), wk = 0.0026178 k( 117) = ( -0.2528098 0.5621407 0.6163724), wk = 0.0026178 k( 118) = ( -0.2471918 0.5496487 0.6026753), wk = 0.0026178 k( 119) = ( -0.2415738 0.5371567 0.5889781), wk = 0.0026178 k( 120) = ( -0.2359558 0.5246647 0.5752809), wk = 0.0026178 k( 121) = ( -0.2303378 0.5121726 0.5615838), wk = 0.0026178 k( 122) = ( -0.2247198 0.4996806 0.5478866), wk = 0.0026178 k( 123) = ( -0.2191018 0.4871886 0.5341894), wk = 0.0026178 k( 124) = ( -0.2134838 0.4746966 0.5204923), wk = 0.0026178 k( 125) = ( -0.2078658 0.4622046 0.5067951), wk = 0.0026178 k( 126) = ( -0.2022478 0.4497126 0.4930979), wk = 0.0026178 k( 127) = ( -0.1966298 0.4372206 0.4794008), wk = 0.0026178 k( 128) = ( -0.1910119 0.4247285 0.4657036), wk = 0.0026178 k( 129) = ( -0.1853939 0.4122365 0.4520065), wk = 0.0026178 k( 130) = ( -0.1797759 0.3997445 0.4383093), wk = 0.0026178 k( 131) = ( -0.1741579 0.3872525 0.4246121), wk = 0.0026178 k( 132) = ( -0.1685399 0.3747605 0.4109150), wk = 0.0026178 k( 133) = ( -0.1629219 0.3622684 0.3972178), wk = 0.0026178 k( 134) = ( -0.1573039 0.3497764 0.3835206), wk = 0.0026178 k( 135) = ( -0.1516859 0.3372844 0.3698234), wk = 0.0026178 k( 136) = ( -0.1460679 0.3247924 0.3561263), wk = 0.0026178 k( 137) = ( -0.1404499 0.3123004 0.3424291), wk = 0.0026178 k( 138) = ( -0.1348319 0.2998084 0.3287320), wk = 0.0026178 k( 139) = ( -0.1292139 0.2873164 0.3150348), wk = 0.0026178 k( 140) = ( -0.1235959 0.2748243 0.3013376), wk = 0.0026178 k( 141) = ( -0.1179779 0.2623323 0.2876405), wk = 0.0026178 k( 142) = ( -0.1123599 0.2498403 0.2739433), wk = 0.0026178 k( 143) = ( -0.1067419 0.2373483 0.2602461), wk = 0.0026178 k( 144) = ( -0.1011239 0.2248563 0.2465490), wk = 0.0026178 k( 145) = ( -0.0955059 0.2123643 0.2328518), wk = 0.0026178 k( 146) = ( -0.0898879 0.1998722 0.2191546), wk = 0.0026178 k( 147) = ( -0.0842699 0.1873802 0.2054575), wk = 0.0026178 k( 148) = ( -0.0786519 0.1748882 0.1917603), wk = 0.0026178 k( 149) = ( -0.0730339 0.1623962 0.1780631), wk = 0.0026178 k( 150) = ( -0.0674160 0.1499042 0.1643660), wk = 0.0026178 k( 151) = ( -0.0617979 0.1374122 0.1506688), wk = 0.0026178 k( 152) = ( -0.0561800 0.1249202 0.1369717), wk = 0.0026178 k( 153) = ( -0.0505620 0.1124281 0.1232745), wk = 0.0026178 k( 154) = ( -0.0449440 0.0999361 0.1095773), wk = 0.0026178 k( 155) = ( -0.0393260 0.0874441 0.0958802), wk = 0.0026178 k( 156) = ( -0.0337080 0.0749521 0.0821830), wk = 0.0026178 k( 157) = ( -0.0280900 0.0624601 0.0684858), wk = 0.0026178 k( 158) = ( -0.0224720 0.0499681 0.0547887), wk = 0.0026178 k( 159) = ( -0.0168540 0.0374761 0.0410915), wk = 0.0026178 k( 160) = ( -0.0112360 0.0249840 0.0273943), wk = 0.0026178 k( 161) = ( -0.0056180 0.0124920 0.0136972), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 164) = ( 0.0178571 0.0080308 -0.0000000), wk = 0.0026178 k( 165) = ( 0.0357143 0.0160617 -0.0000000), wk = 0.0026178 k( 166) = ( 0.0535714 0.0240925 -0.0000000), wk = 0.0026178 k( 167) = ( 0.0714286 0.0321234 -0.0000000), wk = 0.0026178 k( 168) = ( 0.0892857 0.0401542 -0.0000000), wk = 0.0026178 k( 169) = ( 0.1071429 0.0481850 -0.0000000), wk = 0.0026178 k( 170) = ( 0.1250000 0.0562159 -0.0000000), wk = 0.0026178 k( 171) = ( 0.1428571 0.0642467 -0.0000000), wk = 0.0026178 k( 172) = ( 0.1607143 0.0722775 -0.0000000), wk = 0.0026178 k( 173) = ( 0.1785714 0.0803084 -0.0000000), wk = 0.0026178 k( 174) = ( 0.1964286 0.0883392 -0.0000000), wk = 0.0026178 k( 175) = ( 0.2142857 0.0963701 -0.0000000), wk = 0.0026178 k( 176) = ( 0.2321429 0.1044009 -0.0000000), wk = 0.0026178 k( 177) = ( 0.2500000 0.1124317 -0.0000000), wk = 0.0026178 k( 178) = ( 0.2678571 0.1204626 -0.0000000), wk = 0.0026178 k( 179) = ( 0.2857143 0.1284934 -0.0000000), wk = 0.0026178 k( 180) = ( 0.3035714 0.1365242 -0.0000000), wk = 0.0026178 k( 181) = ( 0.3214286 0.1445551 -0.0000000), wk = 0.0026178 k( 182) = ( 0.3392857 0.1525859 -0.0000000), wk = 0.0026178 k( 183) = ( 0.3571429 0.1606168 -0.0000000), wk = 0.0026178 k( 184) = ( 0.3750000 0.1686476 -0.0000000), wk = 0.0026178 k( 185) = ( 0.3928571 0.1766784 -0.0000000), wk = 0.0026178 k( 186) = ( 0.4107143 0.1847093 -0.0000000), wk = 0.0026178 k( 187) = ( 0.4285714 0.1927401 -0.0000000), wk = 0.0026178 k( 188) = ( 0.4464286 0.2007709 -0.0000000), wk = 0.0026178 k( 189) = ( 0.4642857 0.2088018 -0.0000000), wk = 0.0026178 k( 190) = ( 0.4821429 0.2168326 -0.0000000), wk = 0.0026178 k( 191) = ( 0.5000000 0.2248635 -0.0000000), wk = 0.0026178 k( 192) = ( 0.5000000 0.2248635 -0.0000000), wk = 0.0026178 k( 193) = ( 0.4943820 0.2373554 0.0136971), wk = 0.0026178 k( 194) = ( 0.4887641 0.2498473 0.0273941), wk = 0.0026178 k( 195) = ( 0.4831461 0.2623392 0.0410912), wk = 0.0026178 k( 196) = ( 0.4775282 0.2748312 0.0547883), wk = 0.0026178 k( 197) = ( 0.4719102 0.2873231 0.0684853), wk = 0.0026178 k( 198) = ( 0.4662923 0.2998150 0.0821824), wk = 0.0026178 k( 199) = ( 0.4606743 0.3123069 0.0958795), wk = 0.0026178 k( 200) = ( 0.4550564 0.3247989 0.1095765), wk = 0.0026178 k( 201) = ( 0.4494384 0.3372908 0.1232736), wk = 0.0026178 k( 202) = ( 0.4438204 0.3497827 0.1369707), wk = 0.0026178 k( 203) = ( 0.4382025 0.3622746 0.1506677), wk = 0.0026178 k( 204) = ( 0.4325845 0.3747666 0.1643648), wk = 0.0026178 k( 205) = ( 0.4269666 0.3872585 0.1780619), wk = 0.0026178 k( 206) = ( 0.4213486 0.3997504 0.1917589), wk = 0.0026178 k( 207) = ( 0.4157307 0.4122423 0.2054560), wk = 0.0026178 k( 208) = ( 0.4101127 0.4247343 0.2191531), wk = 0.0026178 k( 209) = ( 0.4044948 0.4372262 0.2328501), wk = 0.0026178 k( 210) = ( 0.3988768 0.4497181 0.2465472), wk = 0.0026178 k( 211) = ( 0.3932588 0.4622100 0.2602443), wk = 0.0026178 k( 212) = ( 0.3876409 0.4747020 0.2739413), wk = 0.0026178 k( 213) = ( 0.3820229 0.4871939 0.2876384), wk = 0.0026178 k( 214) = ( 0.3764050 0.4996858 0.3013355), wk = 0.0026178 k( 215) = ( 0.3707870 0.5121777 0.3150325), wk = 0.0026178 k( 216) = ( 0.3651691 0.5246697 0.3287296), wk = 0.0026178 k( 217) = ( 0.3595511 0.5371616 0.3424267), wk = 0.0026178 k( 218) = ( 0.3539332 0.5496535 0.3561237), wk = 0.0026178 k( 219) = ( 0.3483152 0.5621454 0.3698208), wk = 0.0026178 k( 220) = ( 0.3426973 0.5746374 0.3835179), wk = 0.0026178 k( 221) = ( 0.3370793 0.5871293 0.3972149), wk = 0.0026178 k( 222) = ( 0.3314613 0.5996212 0.4109120), wk = 0.0026178 k( 223) = ( 0.3258434 0.6121132 0.4246091), wk = 0.0026178 k( 224) = ( 0.3202254 0.6246051 0.4383061), wk = 0.0026178 k( 225) = ( 0.3146075 0.6370970 0.4520032), wk = 0.0026178 k( 226) = ( 0.3089895 0.6495889 0.4657003), wk = 0.0026178 k( 227) = ( 0.3033716 0.6620809 0.4793973), wk = 0.0026178 k( 228) = ( 0.2977536 0.6745728 0.4930944), wk = 0.0026178 k( 229) = ( 0.2921357 0.6870647 0.5067915), wk = 0.0026178 k( 230) = ( 0.2865177 0.6995566 0.5204885), wk = 0.0026178 k( 231) = ( 0.2808997 0.7120486 0.5341856), wk = 0.0026178 k( 232) = ( 0.2752818 0.7245405 0.5478827), wk = 0.0026178 k( 233) = ( 0.2752818 0.7245405 0.5478827), wk = 0.0026178 k( 234) = ( 0.2569297 0.7207928 0.5519919), wk = 0.0026178 k( 235) = ( 0.2385775 0.7170450 0.5561012), wk = 0.0026178 k( 236) = ( 0.2202254 0.7132973 0.5602105), wk = 0.0026178 k( 237) = ( 0.2018733 0.7095496 0.5643198), wk = 0.0026178 k( 238) = ( 0.1835212 0.7058019 0.5684291), wk = 0.0026178 k( 239) = ( 0.1651691 0.7020542 0.5725384), wk = 0.0026178 k( 240) = ( 0.1468170 0.6983064 0.5766476), wk = 0.0026178 k( 241) = ( 0.1284648 0.6945587 0.5807569), wk = 0.0026178 k( 242) = ( 0.1101127 0.6908110 0.5848662), wk = 0.0026178 k( 243) = ( 0.0917606 0.6870632 0.5889755), wk = 0.0026178 k( 244) = ( 0.0734085 0.6833155 0.5930848), wk = 0.0026178 k( 245) = ( 0.0550564 0.6795678 0.5971940), wk = 0.0026178 k( 246) = ( 0.0367042 0.6758201 0.6013033), wk = 0.0026178 k( 247) = ( 0.0183521 0.6720723 0.6054126), wk = 0.0026178 k( 248) = ( 0.0000000 0.6683246 0.6095219), wk = 0.0026178 k( 249) = ( 0.0000000 0.6683246 0.6095219), wk = 0.0026178 k( 250) = ( 0.0056818 0.6556907 0.6233746), wk = 0.0026178 k( 251) = ( 0.0113636 0.6430568 0.6372274), wk = 0.0026178 k( 252) = ( 0.0170455 0.6304229 0.6510802), wk = 0.0026178 k( 253) = ( 0.0227273 0.6177889 0.6649329), wk = 0.0026178 k( 254) = ( 0.0284091 0.6051550 0.6787857), wk = 0.0026178 k( 255) = ( 0.0340909 0.5925211 0.6926385), wk = 0.0026178 k( 256) = ( 0.0397727 0.5798871 0.7064913), wk = 0.0026178 k( 257) = ( 0.0454546 0.5672532 0.7203440), wk = 0.0026178 k( 258) = ( 0.0511364 0.5546193 0.7341968), wk = 0.0026178 k( 259) = ( 0.0568182 0.5419853 0.7480496), wk = 0.0026178 k( 260) = ( 0.0625000 0.5293514 0.7619023), wk = 0.0026178 k( 261) = ( 0.0681818 0.5167175 0.7757551), wk = 0.0026178 k( 262) = ( 0.0738636 0.5040835 0.7896079), wk = 0.0026178 k( 263) = ( 0.0795455 0.4914496 0.8034606), wk = 0.0026178 k( 264) = ( 0.0852273 0.4788157 0.8173134), wk = 0.0026178 k( 265) = ( 0.0909091 0.4661818 0.8311662), wk = 0.0026178 k( 266) = ( 0.0965909 0.4535478 0.8450190), wk = 0.0026178 k( 267) = ( 0.1022727 0.4409139 0.8588717), wk = 0.0026178 k( 268) = ( 0.1079545 0.4282800 0.8727245), wk = 0.0026178 k( 269) = ( 0.1136364 0.4156460 0.8865773), wk = 0.0026178 k( 270) = ( 0.1193182 0.4030121 0.9004300), wk = 0.0026178 k( 271) = ( 0.1250000 0.3903782 0.9142828), wk = 0.0026178 k( 272) = ( 0.1306818 0.3777442 0.9281356), wk = 0.0026178 k( 273) = ( 0.1363636 0.3651103 0.9419884), wk = 0.0026178 k( 274) = ( 0.1420454 0.3524764 0.9558411), wk = 0.0026178 k( 275) = ( 0.1477273 0.3398425 0.9696939), wk = 0.0026178 k( 276) = ( 0.1534091 0.3272085 0.9835467), wk = 0.0026178 k( 277) = ( 0.1590909 0.3145746 0.9973994), wk = 0.0026178 k( 278) = ( 0.1647727 0.3019407 1.0112522), wk = 0.0026178 k( 279) = ( 0.1704546 0.2893067 1.0251050), wk = 0.0026178 k( 280) = ( 0.1761364 0.2766728 1.0389577), wk = 0.0026178 k( 281) = ( 0.1818182 0.2640389 1.0528105), wk = 0.0026178 k( 282) = ( 0.1875000 0.2514050 1.0666633), wk = 0.0026178 k( 283) = ( 0.1931818 0.2387710 1.0805161), wk = 0.0026178 k( 284) = ( 0.1988636 0.2261371 1.0943688), wk = 0.0026178 k( 285) = ( 0.2045454 0.2135032 1.1082216), wk = 0.0026178 k( 286) = ( 0.2102273 0.2008692 1.1220744), wk = 0.0026178 k( 287) = ( 0.2159091 0.1882353 1.1359271), wk = 0.0026178 k( 288) = ( 0.2215909 0.1756014 1.1497799), wk = 0.0026178 k( 289) = ( 0.2272727 0.1629674 1.1636327), wk = 0.0026178 k( 290) = ( 0.2329546 0.1503335 1.1774855), wk = 0.0026178 k( 291) = ( 0.2386364 0.1376996 1.1913382), wk = 0.0026178 k( 292) = ( 0.2443182 0.1250657 1.2051910), wk = 0.0026178 k( 293) = ( 0.2500000 0.1124317 1.2190438), wk = 0.0026178 k( 294) = ( 0.2500000 0.1124317 1.2190438), wk = 0.0026178 k( 295) = ( 0.2656250 0.1194587 1.2113389), wk = 0.0026178 k( 296) = ( 0.2812500 0.1264857 1.2036339), wk = 0.0026178 k( 297) = ( 0.2968750 0.1335127 1.1959290), wk = 0.0026178 k( 298) = ( 0.3125000 0.1405397 1.1882242), wk = 0.0026178 k( 299) = ( 0.3281250 0.1475666 1.1805192), wk = 0.0026178 k( 300) = ( 0.3437500 0.1545936 1.1728143), wk = 0.0026178 k( 301) = ( 0.3593750 0.1616206 1.1651095), wk = 0.0026178 k( 302) = ( 0.3750000 0.1686476 1.1574045), wk = 0.0026178 k( 303) = ( 0.3906250 0.1756746 1.1496996), wk = 0.0026178 k( 304) = ( 0.4062500 0.1827016 1.1419947), wk = 0.0026178 k( 305) = ( 0.4218750 0.1897285 1.1342898), wk = 0.0026178 k( 306) = ( 0.4375000 0.1967555 1.1265849), wk = 0.0026178 k( 307) = ( 0.4531250 0.2037825 1.1188800), wk = 0.0026178 k( 308) = ( 0.4687500 0.2108095 1.1111751), wk = 0.0026178 k( 309) = ( 0.4843750 0.2178365 1.1034702), wk = 0.0026178 k( 310) = ( 0.5000000 0.2248635 1.0957653), wk = 0.0026178 k( 311) = ( 0.5000000 0.2248635 1.0957653), wk = 0.0026178 k( 312) = ( 0.5000000 0.2248635 1.0761981), wk = 0.0026178 k( 313) = ( 0.5000000 0.2248635 1.0566308), wk = 0.0026178 k( 314) = ( 0.5000000 0.2248635 1.0370636), wk = 0.0026178 k( 315) = ( 0.5000000 0.2248635 1.0174964), wk = 0.0026178 k( 316) = ( 0.5000000 0.2248635 0.9979291), wk = 0.0026178 k( 317) = ( 0.5000000 0.2248635 0.9783619), wk = 0.0026178 k( 318) = ( 0.5000000 0.2248635 0.9587947), wk = 0.0026178 k( 319) = ( 0.5000000 0.2248635 0.9392274), wk = 0.0026178 k( 320) = ( 0.5000000 0.2248635 0.9196602), wk = 0.0026178 k( 321) = ( 0.5000000 0.2248635 0.9000929), wk = 0.0026178 k( 322) = ( 0.5000000 0.2248635 0.8805257), wk = 0.0026178 k( 323) = ( 0.5000000 0.2248635 0.8609585), wk = 0.0026178 k( 324) = ( 0.5000000 0.2248635 0.8413912), wk = 0.0026178 k( 325) = ( 0.5000000 0.2248635 0.8218240), wk = 0.0026178 k( 326) = ( 0.5000000 0.2248635 0.8022568), wk = 0.0026178 k( 327) = ( 0.5000000 0.2248635 0.7826895), wk = 0.0026178 k( 328) = ( 0.5000000 0.2248635 0.7631223), wk = 0.0026178 k( 329) = ( 0.5000000 0.2248635 0.7435551), wk = 0.0026178 k( 330) = ( 0.5000000 0.2248635 0.7239878), wk = 0.0026178 k( 331) = ( 0.5000000 0.2248635 0.7044206), wk = 0.0026178 k( 332) = ( 0.5000000 0.2248635 0.6848533), wk = 0.0026178 k( 333) = ( 0.5000000 0.2248635 0.6652861), wk = 0.0026178 k( 334) = ( 0.5000000 0.2248635 0.6457188), wk = 0.0026178 k( 335) = ( 0.5000000 0.2248635 0.6261516), wk = 0.0026178 k( 336) = ( 0.5000000 0.2248635 0.6065844), wk = 0.0026178 k( 337) = ( 0.5000000 0.2248635 0.5870171), wk = 0.0026178 k( 338) = ( 0.5000000 0.2248635 0.5674499), wk = 0.0026178 k( 339) = ( 0.5000000 0.2248635 0.5478827), wk = 0.0026178 k( 340) = ( 0.5000000 0.2248635 0.5283154), wk = 0.0026178 k( 341) = ( 0.5000000 0.2248635 0.5087482), wk = 0.0026178 k( 342) = ( 0.5000000 0.2248635 0.4891809), wk = 0.0026178 k( 343) = ( 0.5000000 0.2248635 0.4696137), wk = 0.0026178 k( 344) = ( 0.5000000 0.2248635 0.4500465), wk = 0.0026178 k( 345) = ( 0.5000000 0.2248635 0.4304792), wk = 0.0026178 k( 346) = ( 0.5000000 0.2248635 0.4109120), wk = 0.0026178 k( 347) = ( 0.5000000 0.2248635 0.3913448), wk = 0.0026178 k( 348) = ( 0.5000000 0.2248635 0.3717775), wk = 0.0026178 k( 349) = ( 0.5000000 0.2248635 0.3522103), wk = 0.0026178 k( 350) = ( 0.5000000 0.2248635 0.3326431), wk = 0.0026178 k( 351) = ( 0.5000000 0.2248635 0.3130758), wk = 0.0026178 k( 352) = ( 0.5000000 0.2248635 0.2935086), wk = 0.0026178 k( 353) = ( 0.5000000 0.2248635 0.2739413), wk = 0.0026178 k( 354) = ( 0.5000000 0.2248635 0.2543741), wk = 0.0026178 k( 355) = ( 0.5000000 0.2248635 0.2348069), wk = 0.0026178 k( 356) = ( 0.5000000 0.2248635 0.2152396), wk = 0.0026178 k( 357) = ( 0.5000000 0.2248635 0.1956724), wk = 0.0026178 k( 358) = ( 0.5000000 0.2248635 0.1761051), wk = 0.0026178 k( 359) = ( 0.5000000 0.2248635 0.1565379), wk = 0.0026178 k( 360) = ( 0.5000000 0.2248635 0.1369707), wk = 0.0026178 k( 361) = ( 0.5000000 0.2248635 0.1174034), wk = 0.0026178 k( 362) = ( 0.5000000 0.2248635 0.0978362), wk = 0.0026178 k( 363) = ( 0.5000000 0.2248635 0.0782689), wk = 0.0026178 k( 364) = ( 0.5000000 0.2248635 0.0587017), wk = 0.0026178 k( 365) = ( 0.5000000 0.2248635 0.0391345), wk = 0.0026178 k( 366) = ( 0.5000000 0.2248635 0.0195672), wk = 0.0026178 k( 367) = ( 0.5000000 0.2248635 -0.0000000), wk = 0.0026178 k( 368) = ( 0.0000000 0.0000000 1.2190438), wk = 0.0026178 k( 369) = ( 0.0178571 0.0080308 1.2190438), wk = 0.0026178 k( 370) = ( 0.0357143 0.0160617 1.2190438), wk = 0.0026178 k( 371) = ( 0.0535714 0.0240925 1.2190438), wk = 0.0026178 k( 372) = ( 0.0714286 0.0321234 1.2190438), wk = 0.0026178 k( 373) = ( 0.0892857 0.0401542 1.2190438), wk = 0.0026178 k( 374) = ( 0.1071429 0.0481850 1.2190438), wk = 0.0026178 k( 375) = ( 0.1250000 0.0562159 1.2190438), wk = 0.0026178 k( 376) = ( 0.1428571 0.0642467 1.2190438), wk = 0.0026178 k( 377) = ( 0.1607143 0.0722775 1.2190438), wk = 0.0026178 k( 378) = ( 0.1785714 0.0803084 1.2190438), wk = 0.0026178 k( 379) = ( 0.1964286 0.0883392 1.2190438), wk = 0.0026178 k( 380) = ( 0.2142857 0.0963701 1.2190438), wk = 0.0026178 k( 381) = ( 0.2321429 0.1044009 1.2190438), wk = 0.0026178 k( 382) = ( 0.2500000 0.1124317 1.2190438), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0000000 0.0080645), wk = 0.0026178 k( 3) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0026178 k( 4) = ( 0.0000000 0.0000000 0.0241936), wk = 0.0026178 k( 5) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0026178 k( 6) = ( 0.0000000 0.0000000 0.0403226), wk = 0.0026178 k( 7) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0026178 k( 8) = ( 0.0000000 0.0000000 0.0564516), wk = 0.0026178 k( 9) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0026178 k( 10) = ( 0.0000000 0.0000000 0.0725807), wk = 0.0026178 k( 11) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0026178 k( 12) = ( 0.0000000 0.0000000 0.0887097), wk = 0.0026178 k( 13) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0026178 k( 14) = ( 0.0000000 0.0000000 0.1048387), wk = 0.0026178 k( 15) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0026178 k( 16) = ( 0.0000000 0.0000000 0.1209677), wk = 0.0026178 k( 17) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0026178 k( 18) = ( 0.0000000 0.0000000 0.1370968), wk = 0.0026178 k( 19) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0026178 k( 20) = ( 0.0000000 0.0000000 0.1532258), wk = 0.0026178 k( 21) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0026178 k( 22) = ( 0.0000000 0.0000000 0.1693548), wk = 0.0026178 k( 23) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0026178 k( 24) = ( 0.0000000 0.0000000 0.1854839), wk = 0.0026178 k( 25) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0026178 k( 26) = ( 0.0000000 0.0000000 0.2016129), wk = 0.0026178 k( 27) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0026178 k( 28) = ( 0.0000000 0.0000000 0.2177419), wk = 0.0026178 k( 29) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0026178 k( 30) = ( 0.0000000 0.0000000 0.2338710), wk = 0.0026178 k( 31) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0026178 k( 32) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026178 k( 33) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0026178 k( 34) = ( 0.0000000 0.0000000 0.2661290), wk = 0.0026178 k( 35) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0026178 k( 36) = ( 0.0000000 0.0000000 0.2822581), wk = 0.0026178 k( 37) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0026178 k( 38) = ( 0.0000000 0.0000000 0.2983871), wk = 0.0026178 k( 39) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0026178 k( 40) = ( 0.0000000 0.0000000 0.3145161), wk = 0.0026178 k( 41) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0026178 k( 42) = ( 0.0000000 0.0000000 0.3306452), wk = 0.0026178 k( 43) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0026178 k( 44) = ( 0.0000000 0.0000000 0.3467742), wk = 0.0026178 k( 45) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0026178 k( 46) = ( 0.0000000 0.0000000 0.3629032), wk = 0.0026178 k( 47) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0026178 k( 48) = ( 0.0000000 0.0000000 0.3790323), wk = 0.0026178 k( 49) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0026178 k( 50) = ( 0.0000000 0.0000000 0.3951613), wk = 0.0026178 k( 51) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0026178 k( 52) = ( 0.0000000 0.0000000 0.4112903), wk = 0.0026178 k( 53) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0026178 k( 54) = ( 0.0000000 0.0000000 0.4274193), wk = 0.0026178 k( 55) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0026178 k( 56) = ( 0.0000000 0.0000000 0.4435484), wk = 0.0026178 k( 57) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0026178 k( 58) = ( 0.0000000 0.0000000 0.4596774), wk = 0.0026178 k( 59) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0026178 k( 60) = ( 0.0000000 0.0000000 0.4758065), wk = 0.0026178 k( 61) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0026178 k( 62) = ( 0.0000000 0.0000000 0.4919355), wk = 0.0026178 k( 63) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 65) = ( -0.0072234 0.0072234 0.5000000), wk = 0.0026178 k( 66) = ( -0.0144467 0.0144467 0.5000000), wk = 0.0026178 k( 67) = ( -0.0216701 0.0216701 0.5000000), wk = 0.0026178 k( 68) = ( -0.0288935 0.0288935 0.5000000), wk = 0.0026178 k( 69) = ( -0.0361168 0.0361168 0.5000000), wk = 0.0026178 k( 70) = ( -0.0433402 0.0433402 0.5000000), wk = 0.0026178 k( 71) = ( -0.0505636 0.0505636 0.5000000), wk = 0.0026178 k( 72) = ( -0.0505636 0.0505636 0.5000000), wk = 0.0026178 k( 73) = ( -0.0561815 0.0561815 0.4943820), wk = 0.0026178 k( 74) = ( -0.0617995 0.0617995 0.4887641), wk = 0.0026178 k( 75) = ( -0.0674174 0.0674174 0.4831461), wk = 0.0026178 k( 76) = ( -0.0730354 0.0730354 0.4775282), wk = 0.0026178 k( 77) = ( -0.0786533 0.0786533 0.4719102), wk = 0.0026178 k( 78) = ( -0.0842713 0.0842713 0.4662923), wk = 0.0026178 k( 79) = ( -0.0898893 0.0898893 0.4606743), wk = 0.0026178 k( 80) = ( -0.0955072 0.0955072 0.4550564), wk = 0.0026178 k( 81) = ( -0.1011252 0.1011252 0.4494384), wk = 0.0026178 k( 82) = ( -0.1067431 0.1067431 0.4438204), wk = 0.0026178 k( 83) = ( -0.1123611 0.1123611 0.4382025), wk = 0.0026178 k( 84) = ( -0.1179790 0.1179790 0.4325845), wk = 0.0026178 k( 85) = ( -0.1235970 0.1235970 0.4269666), wk = 0.0026178 k( 86) = ( -0.1292149 0.1292149 0.4213486), wk = 0.0026178 k( 87) = ( -0.1348329 0.1348329 0.4157307), wk = 0.0026178 k( 88) = ( -0.1404509 0.1404509 0.4101127), wk = 0.0026178 k( 89) = ( -0.1460688 0.1460688 0.4044948), wk = 0.0026178 k( 90) = ( -0.1516868 0.1516868 0.3988768), wk = 0.0026178 k( 91) = ( -0.1573047 0.1573047 0.3932589), wk = 0.0026178 k( 92) = ( -0.1629227 0.1629227 0.3876409), wk = 0.0026178 k( 93) = ( -0.1685406 0.1685406 0.3820229), wk = 0.0026178 k( 94) = ( -0.1741586 0.1741586 0.3764050), wk = 0.0026178 k( 95) = ( -0.1797766 0.1797766 0.3707870), wk = 0.0026178 k( 96) = ( -0.1853945 0.1853945 0.3651691), wk = 0.0026178 k( 97) = ( -0.1910125 0.1910125 0.3595511), wk = 0.0026178 k( 98) = ( -0.1966304 0.1966304 0.3539332), wk = 0.0026178 k( 99) = ( -0.2022484 0.2022484 0.3483152), wk = 0.0026178 k( 100) = ( -0.2078663 0.2078663 0.3426973), wk = 0.0026178 k( 101) = ( -0.2134843 0.2134843 0.3370793), wk = 0.0026178 k( 102) = ( -0.2191022 0.2191022 0.3314613), wk = 0.0026178 k( 103) = ( -0.2247202 0.2247202 0.3258434), wk = 0.0026178 k( 104) = ( -0.2303381 0.2303381 0.3202254), wk = 0.0026178 k( 105) = ( -0.2359561 0.2359561 0.3146075), wk = 0.0026178 k( 106) = ( -0.2415741 0.2415741 0.3089895), wk = 0.0026178 k( 107) = ( -0.2471920 0.2471920 0.3033716), wk = 0.0026178 k( 108) = ( -0.2528100 0.2528100 0.2977536), wk = 0.0026178 k( 109) = ( -0.2584279 0.2584279 0.2921357), wk = 0.0026178 k( 110) = ( -0.2640459 0.2640459 0.2865177), wk = 0.0026178 k( 111) = ( -0.2696638 0.2696638 0.2808997), wk = 0.0026178 k( 112) = ( -0.2752818 0.2752818 0.2752818), wk = 0.0026178 k( 113) = ( -0.2752818 0.2752818 0.2752818), wk = 0.0026178 k( 114) = ( -0.2696638 0.2696638 0.2696638), wk = 0.0026178 k( 115) = ( -0.2640458 0.2640458 0.2640458), wk = 0.0026178 k( 116) = ( -0.2584278 0.2584278 0.2584278), wk = 0.0026178 k( 117) = ( -0.2528098 0.2528098 0.2528098), wk = 0.0026178 k( 118) = ( -0.2471918 0.2471918 0.2471918), wk = 0.0026178 k( 119) = ( -0.2415738 0.2415738 0.2415738), wk = 0.0026178 k( 120) = ( -0.2359558 0.2359558 0.2359558), wk = 0.0026178 k( 121) = ( -0.2303378 0.2303378 0.2303378), wk = 0.0026178 k( 122) = ( -0.2247198 0.2247198 0.2247198), wk = 0.0026178 k( 123) = ( -0.2191018 0.2191018 0.2191018), wk = 0.0026178 k( 124) = ( -0.2134838 0.2134838 0.2134838), wk = 0.0026178 k( 125) = ( -0.2078658 0.2078658 0.2078658), wk = 0.0026178 k( 126) = ( -0.2022478 0.2022478 0.2022478), wk = 0.0026178 k( 127) = ( -0.1966298 0.1966298 0.1966298), wk = 0.0026178 k( 128) = ( -0.1910119 0.1910119 0.1910119), wk = 0.0026178 k( 129) = ( -0.1853939 0.1853939 0.1853939), wk = 0.0026178 k( 130) = ( -0.1797759 0.1797759 0.1797759), wk = 0.0026178 k( 131) = ( -0.1741579 0.1741579 0.1741579), wk = 0.0026178 k( 132) = ( -0.1685399 0.1685399 0.1685399), wk = 0.0026178 k( 133) = ( -0.1629219 0.1629219 0.1629219), wk = 0.0026178 k( 134) = ( -0.1573039 0.1573039 0.1573039), wk = 0.0026178 k( 135) = ( -0.1516859 0.1516859 0.1516859), wk = 0.0026178 k( 136) = ( -0.1460679 0.1460679 0.1460679), wk = 0.0026178 k( 137) = ( -0.1404499 0.1404499 0.1404499), wk = 0.0026178 k( 138) = ( -0.1348319 0.1348319 0.1348319), wk = 0.0026178 k( 139) = ( -0.1292139 0.1292139 0.1292139), wk = 0.0026178 k( 140) = ( -0.1235959 0.1235959 0.1235959), wk = 0.0026178 k( 141) = ( -0.1179779 0.1179779 0.1179779), wk = 0.0026178 k( 142) = ( -0.1123599 0.1123599 0.1123599), wk = 0.0026178 k( 143) = ( -0.1067419 0.1067419 0.1067419), wk = 0.0026178 k( 144) = ( -0.1011239 0.1011239 0.1011239), wk = 0.0026178 k( 145) = ( -0.0955059 0.0955059 0.0955059), wk = 0.0026178 k( 146) = ( -0.0898879 0.0898879 0.0898879), wk = 0.0026178 k( 147) = ( -0.0842699 0.0842699 0.0842699), wk = 0.0026178 k( 148) = ( -0.0786519 0.0786519 0.0786519), wk = 0.0026178 k( 149) = ( -0.0730339 0.0730339 0.0730339), wk = 0.0026178 k( 150) = ( -0.0674160 0.0674160 0.0674160), wk = 0.0026178 k( 151) = ( -0.0617979 0.0617980 0.0617980), wk = 0.0026178 k( 152) = ( -0.0561800 0.0561800 0.0561800), wk = 0.0026178 k( 153) = ( -0.0505620 0.0505620 0.0505620), wk = 0.0026178 k( 154) = ( -0.0449440 0.0449440 0.0449440), wk = 0.0026178 k( 155) = ( -0.0393260 0.0393260 0.0393260), wk = 0.0026178 k( 156) = ( -0.0337080 0.0337080 0.0337080), wk = 0.0026178 k( 157) = ( -0.0280900 0.0280900 0.0280900), wk = 0.0026178 k( 158) = ( -0.0224720 0.0224720 0.0224720), wk = 0.0026178 k( 159) = ( -0.0168540 0.0168540 0.0168540), wk = 0.0026178 k( 160) = ( -0.0112360 0.0112360 0.0112360), wk = 0.0026178 k( 161) = ( -0.0056180 0.0056180 0.0056180), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 164) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0026178 k( 165) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0026178 k( 166) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0026178 k( 167) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0026178 k( 168) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0026178 k( 169) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0026178 k( 170) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026178 k( 171) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0026178 k( 172) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0026178 k( 173) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0026178 k( 174) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0026178 k( 175) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0026178 k( 176) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0026178 k( 177) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026178 k( 178) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0026178 k( 179) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0026178 k( 180) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0026178 k( 181) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0026178 k( 182) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0026178 k( 183) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0026178 k( 184) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026178 k( 185) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0026178 k( 186) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0026178 k( 187) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0026178 k( 188) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0026178 k( 189) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0026178 k( 190) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0026178 k( 191) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026178 k( 192) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026178 k( 193) = ( 0.4943820 0.5056180 -0.4943820), wk = 0.0026178 k( 194) = ( 0.4887641 0.5112359 -0.4887641), wk = 0.0026178 k( 195) = ( 0.4831461 0.5168539 -0.4831461), wk = 0.0026178 k( 196) = ( 0.4775282 0.5224718 -0.4775282), wk = 0.0026178 k( 197) = ( 0.4719102 0.5280898 -0.4719102), wk = 0.0026178 k( 198) = ( 0.4662923 0.5337077 -0.4662923), wk = 0.0026178 k( 199) = ( 0.4606743 0.5393257 -0.4606743), wk = 0.0026178 k( 200) = ( 0.4550564 0.5449436 -0.4550564), wk = 0.0026178 k( 201) = ( 0.4494384 0.5505616 -0.4494384), wk = 0.0026178 k( 202) = ( 0.4438204 0.5561795 -0.4438205), wk = 0.0026178 k( 203) = ( 0.4382025 0.5617975 -0.4382025), wk = 0.0026178 k( 204) = ( 0.4325845 0.5674155 -0.4325845), wk = 0.0026178 k( 205) = ( 0.4269666 0.5730334 -0.4269666), wk = 0.0026178 k( 206) = ( 0.4213486 0.5786514 -0.4213486), wk = 0.0026178 k( 207) = ( 0.4157307 0.5842693 -0.4157307), wk = 0.0026178 k( 208) = ( 0.4101127 0.5898873 -0.4101127), wk = 0.0026178 k( 209) = ( 0.4044948 0.5955052 -0.4044948), wk = 0.0026178 k( 210) = ( 0.3988768 0.6011232 -0.3988768), wk = 0.0026178 k( 211) = ( 0.3932588 0.6067411 -0.3932588), wk = 0.0026178 k( 212) = ( 0.3876409 0.6123591 -0.3876409), wk = 0.0026178 k( 213) = ( 0.3820229 0.6179771 -0.3820229), wk = 0.0026178 k( 214) = ( 0.3764050 0.6235950 -0.3764050), wk = 0.0026178 k( 215) = ( 0.3707870 0.6292130 -0.3707870), wk = 0.0026178 k( 216) = ( 0.3651691 0.6348309 -0.3651691), wk = 0.0026178 k( 217) = ( 0.3595511 0.6404489 -0.3595511), wk = 0.0026178 k( 218) = ( 0.3539332 0.6460668 -0.3539332), wk = 0.0026178 k( 219) = ( 0.3483152 0.6516848 -0.3483152), wk = 0.0026178 k( 220) = ( 0.3426973 0.6573028 -0.3426973), wk = 0.0026178 k( 221) = ( 0.3370793 0.6629207 -0.3370793), wk = 0.0026178 k( 222) = ( 0.3314613 0.6685387 -0.3314613), wk = 0.0026178 k( 223) = ( 0.3258434 0.6741566 -0.3258434), wk = 0.0026178 k( 224) = ( 0.3202254 0.6797746 -0.3202254), wk = 0.0026178 k( 225) = ( 0.3146075 0.6853925 -0.3146075), wk = 0.0026178 k( 226) = ( 0.3089895 0.6910105 -0.3089895), wk = 0.0026178 k( 227) = ( 0.3033716 0.6966284 -0.3033716), wk = 0.0026178 k( 228) = ( 0.2977536 0.7022464 -0.2977536), wk = 0.0026178 k( 229) = ( 0.2921357 0.7078644 -0.2921357), wk = 0.0026178 k( 230) = ( 0.2865177 0.7134823 -0.2865177), wk = 0.0026178 k( 231) = ( 0.2808997 0.7191003 -0.2808997), wk = 0.0026178 k( 232) = ( 0.2752818 0.7247182 -0.2752818), wk = 0.0026178 k( 233) = ( 0.2752818 0.7247182 -0.2752818), wk = 0.0026178 k( 234) = ( 0.2569297 0.7097370 -0.2569297), wk = 0.0026178 k( 235) = ( 0.2385775 0.6947558 -0.2385776), wk = 0.0026178 k( 236) = ( 0.2202254 0.6797746 -0.2202254), wk = 0.0026178 k( 237) = ( 0.2018733 0.6647934 -0.2018733), wk = 0.0026178 k( 238) = ( 0.1835212 0.6498121 -0.1835212), wk = 0.0026178 k( 239) = ( 0.1651691 0.6348309 -0.1651691), wk = 0.0026178 k( 240) = ( 0.1468170 0.6198497 -0.1468170), wk = 0.0026178 k( 241) = ( 0.1284648 0.6048685 -0.1284648), wk = 0.0026178 k( 242) = ( 0.1101127 0.5898873 -0.1101127), wk = 0.0026178 k( 243) = ( 0.0917606 0.5749061 -0.0917606), wk = 0.0026178 k( 244) = ( 0.0734085 0.5599249 -0.0734085), wk = 0.0026178 k( 245) = ( 0.0550564 0.5449436 -0.0550564), wk = 0.0026178 k( 246) = ( 0.0367042 0.5299624 -0.0367042), wk = 0.0026178 k( 247) = ( 0.0183521 0.5149812 -0.0183521), wk = 0.0026178 k( 248) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 249) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 250) = ( 0.0056818 0.4943182 0.0056818), wk = 0.0026178 k( 251) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0026178 k( 252) = ( 0.0170455 0.4829546 0.0170454), wk = 0.0026178 k( 253) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0026178 k( 254) = ( 0.0284091 0.4715909 0.0284091), wk = 0.0026178 k( 255) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0026178 k( 256) = ( 0.0397727 0.4602273 0.0397727), wk = 0.0026178 k( 257) = ( 0.0454546 0.4545455 0.0454546), wk = 0.0026178 k( 258) = ( 0.0511364 0.4488636 0.0511364), wk = 0.0026178 k( 259) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0026178 k( 260) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026178 k( 261) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0026178 k( 262) = ( 0.0738636 0.4261364 0.0738636), wk = 0.0026178 k( 263) = ( 0.0795455 0.4204546 0.0795454), wk = 0.0026178 k( 264) = ( 0.0852273 0.4147727 0.0852273), wk = 0.0026178 k( 265) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0026178 k( 266) = ( 0.0965909 0.4034091 0.0965909), wk = 0.0026178 k( 267) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0026178 k( 268) = ( 0.1079545 0.3920455 0.1079545), wk = 0.0026178 k( 269) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0026178 k( 270) = ( 0.1193182 0.3806818 0.1193182), wk = 0.0026178 k( 271) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026178 k( 272) = ( 0.1306818 0.3693182 0.1306818), wk = 0.0026178 k( 273) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0026178 k( 274) = ( 0.1420454 0.3579545 0.1420454), wk = 0.0026178 k( 275) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0026178 k( 276) = ( 0.1534091 0.3465909 0.1534091), wk = 0.0026178 k( 277) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0026178 k( 278) = ( 0.1647727 0.3352273 0.1647727), wk = 0.0026178 k( 279) = ( 0.1704546 0.3295455 0.1704546), wk = 0.0026178 k( 280) = ( 0.1761364 0.3238636 0.1761364), wk = 0.0026178 k( 281) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0026178 k( 282) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026178 k( 283) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0026178 k( 284) = ( 0.1988636 0.3011364 0.1988636), wk = 0.0026178 k( 285) = ( 0.2045454 0.2954545 0.2045455), wk = 0.0026178 k( 286) = ( 0.2102273 0.2897727 0.2102273), wk = 0.0026178 k( 287) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0026178 k( 288) = ( 0.2215909 0.2784091 0.2215909), wk = 0.0026178 k( 289) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0026178 k( 290) = ( 0.2329546 0.2670455 0.2329546), wk = 0.0026178 k( 291) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0026178 k( 292) = ( 0.2443182 0.2556818 0.2443182), wk = 0.0026178 k( 293) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 k( 294) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 k( 295) = ( 0.2656250 0.2656250 0.2312148), wk = 0.0026178 k( 296) = ( 0.2812500 0.2812500 0.2124296), wk = 0.0026178 k( 297) = ( 0.2968750 0.2968750 0.1936443), wk = 0.0026178 k( 298) = ( 0.3125000 0.3125000 0.1748591), wk = 0.0026178 k( 299) = ( 0.3281250 0.3281250 0.1560739), wk = 0.0026178 k( 300) = ( 0.3437500 0.3437500 0.1372887), wk = 0.0026178 k( 301) = ( 0.3593750 0.3593750 0.1185034), wk = 0.0026178 k( 302) = ( 0.3750000 0.3750000 0.0997182), wk = 0.0026178 k( 303) = ( 0.3906250 0.3906250 0.0809330), wk = 0.0026178 k( 304) = ( 0.4062500 0.4062500 0.0621478), wk = 0.0026178 k( 305) = ( 0.4218750 0.4218750 0.0433625), wk = 0.0026178 k( 306) = ( 0.4375000 0.4375000 0.0245773), wk = 0.0026178 k( 307) = ( 0.4531250 0.4531250 0.0057921), wk = 0.0026178 k( 308) = ( 0.4687500 0.4687500 -0.0129931), wk = 0.0026178 k( 309) = ( 0.4843750 0.4843750 -0.0317783), wk = 0.0026178 k( 310) = ( 0.5000000 0.5000000 -0.0505636), wk = 0.0026178 k( 311) = ( 0.5000000 0.5000000 -0.0505636), wk = 0.0026178 k( 312) = ( 0.5000000 0.5000000 -0.0585892), wk = 0.0026178 k( 313) = ( 0.5000000 0.5000000 -0.0666149), wk = 0.0026178 k( 314) = ( 0.5000000 0.5000000 -0.0746405), wk = 0.0026178 k( 315) = ( 0.5000000 0.5000000 -0.0826662), wk = 0.0026178 k( 316) = ( 0.5000000 0.5000000 -0.0906918), wk = 0.0026178 k( 317) = ( 0.5000000 0.5000000 -0.0987175), wk = 0.0026178 k( 318) = ( 0.5000000 0.5000000 -0.1067431), wk = 0.0026178 k( 319) = ( 0.5000000 0.5000000 -0.1147688), wk = 0.0026178 k( 320) = ( 0.5000000 0.5000000 -0.1227944), wk = 0.0026178 k( 321) = ( 0.5000000 0.5000000 -0.1308201), wk = 0.0026178 k( 322) = ( 0.5000000 0.5000000 -0.1388457), wk = 0.0026178 k( 323) = ( 0.5000000 0.5000000 -0.1468714), wk = 0.0026178 k( 324) = ( 0.5000000 0.5000000 -0.1548970), wk = 0.0026178 k( 325) = ( 0.5000000 0.5000000 -0.1629227), wk = 0.0026178 k( 326) = ( 0.5000000 0.5000000 -0.1709483), wk = 0.0026178 k( 327) = ( 0.5000000 0.5000000 -0.1789740), wk = 0.0026178 k( 328) = ( 0.5000000 0.5000000 -0.1869996), wk = 0.0026178 k( 329) = ( 0.5000000 0.5000000 -0.1950253), wk = 0.0026178 k( 330) = ( 0.5000000 0.5000000 -0.2030509), wk = 0.0026178 k( 331) = ( 0.5000000 0.5000000 -0.2110766), wk = 0.0026178 k( 332) = ( 0.5000000 0.5000000 -0.2191022), wk = 0.0026178 k( 333) = ( 0.5000000 0.5000000 -0.2271279), wk = 0.0026178 k( 334) = ( 0.5000000 0.5000000 -0.2351535), wk = 0.0026178 k( 335) = ( 0.5000000 0.5000000 -0.2431792), wk = 0.0026178 k( 336) = ( 0.5000000 0.5000000 -0.2512048), wk = 0.0026178 k( 337) = ( 0.5000000 0.5000000 -0.2592305), wk = 0.0026178 k( 338) = ( 0.5000000 0.5000000 -0.2672561), wk = 0.0026178 k( 339) = ( 0.5000000 0.5000000 -0.2752818), wk = 0.0026178 k( 340) = ( 0.5000000 0.5000000 -0.2833074), wk = 0.0026178 k( 341) = ( 0.5000000 0.5000000 -0.2913331), wk = 0.0026178 k( 342) = ( 0.5000000 0.5000000 -0.2993587), wk = 0.0026178 k( 343) = ( 0.5000000 0.5000000 -0.3073844), wk = 0.0026178 k( 344) = ( 0.5000000 0.5000000 -0.3154100), wk = 0.0026178 k( 345) = ( 0.5000000 0.5000000 -0.3234357), wk = 0.0026178 k( 346) = ( 0.5000000 0.5000000 -0.3314613), wk = 0.0026178 k( 347) = ( 0.5000000 0.5000000 -0.3394870), wk = 0.0026178 k( 348) = ( 0.5000000 0.5000000 -0.3475126), wk = 0.0026178 k( 349) = ( 0.5000000 0.5000000 -0.3555383), wk = 0.0026178 k( 350) = ( 0.5000000 0.5000000 -0.3635639), wk = 0.0026178 k( 351) = ( 0.5000000 0.5000000 -0.3715896), wk = 0.0026178 k( 352) = ( 0.5000000 0.5000000 -0.3796152), wk = 0.0026178 k( 353) = ( 0.5000000 0.5000000 -0.3876409), wk = 0.0026178 k( 354) = ( 0.5000000 0.5000000 -0.3956665), wk = 0.0026178 k( 355) = ( 0.5000000 0.5000000 -0.4036922), wk = 0.0026178 k( 356) = ( 0.5000000 0.5000000 -0.4117179), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 -0.4197435), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 -0.4277692), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 -0.4357948), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 -0.4438205), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 -0.4518461), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 -0.4598718), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 -0.4678974), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 -0.4759231), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 -0.4839487), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 -0.4919744), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026178 k( 368) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 369) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0026178 k( 370) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0026178 k( 371) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0026178 k( 372) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0026178 k( 373) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0026178 k( 374) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0026178 k( 375) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026178 k( 376) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0026178 k( 377) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0026178 k( 378) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0026178 k( 379) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0026178 k( 380) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0026178 k( 381) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0026178 k( 382) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 Dense grid: 106067 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 36583 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 260, 46) NL pseudopotentials 0.13 Mb ( 130, 66) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2947) G-vector shells 0.01 Mb ( 1353) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.73 Mb ( 260, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.09 Mb ( 66, 2, 46) The potential is recalculated from file : ./Na2H2Pd.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 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 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.1 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.0 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.0 secs Computing kpt #: 34 total cpu time spent up to now is 18.4 secs Computing kpt #: 35 total cpu time spent up to now is 18.8 secs Computing kpt #: 36 total cpu time spent up to now is 19.2 secs Computing kpt #: 37 total cpu time spent up to now is 19.6 secs Computing kpt #: 38 total cpu time spent up to now is 20.0 secs Computing kpt #: 39 total cpu time spent up to now is 20.5 secs Computing kpt #: 40 total cpu time spent up to now is 20.9 secs Computing kpt #: 41 total cpu time spent up to now is 21.3 secs Computing kpt #: 42 total cpu time spent up to now is 21.7 secs Computing kpt #: 43 total cpu time spent up to now is 22.1 secs Computing kpt #: 44 total cpu time spent up to now is 22.5 secs Computing kpt #: 45 total cpu time spent up to now is 22.9 secs Computing kpt #: 46 total cpu time spent up to now is 23.3 secs Computing kpt #: 47 total cpu time spent up to now is 23.7 secs Computing kpt #: 48 total cpu time spent up to now is 24.2 secs Computing kpt #: 49 total cpu time spent up to now is 24.6 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.4 secs Computing kpt #: 52 total cpu time spent up to now is 25.8 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.7 secs Computing kpt #: 55 total cpu time spent up to now is 27.1 secs Computing kpt #: 56 total cpu time spent up to now is 27.5 secs Computing kpt #: 57 total cpu time spent up to now is 28.0 secs Computing kpt #: 58 total cpu time spent up to now is 28.4 secs Computing kpt #: 59 total cpu time spent up to now is 28.9 secs Computing kpt #: 60 total cpu time spent up to now is 29.4 secs Computing kpt #: 61 total cpu time spent up to now is 29.9 secs Computing kpt #: 62 total cpu time spent up to now is 30.4 secs Computing kpt #: 63 total cpu time spent up to now is 30.8 secs Computing kpt #: 64 total cpu time spent up to now is 31.2 secs Computing kpt #: 65 total cpu time spent up to now is 31.6 secs Computing kpt #: 66 total cpu time spent up to now is 32.1 secs Computing kpt #: 67 total cpu time spent up to now is 32.5 secs Computing kpt #: 68 total cpu time spent up to now is 33.0 secs Computing kpt #: 69 total cpu time spent up to now is 33.6 secs Computing kpt #: 70 total cpu time spent up to now is 34.1 secs Computing kpt #: 71 total cpu time spent up to now is 34.6 secs Computing kpt #: 72 total cpu time spent up to now is 35.1 secs Computing kpt #: 73 total cpu time spent up to now is 35.6 secs Computing kpt #: 74 total cpu time spent up to now is 36.1 secs Computing kpt #: 75 total cpu time spent up to now is 36.6 secs Computing kpt #: 76 total cpu time spent up to now is 37.1 secs Computing kpt #: 77 total cpu time spent up to now is 37.6 secs Computing kpt #: 78 total cpu time spent up to now is 38.1 secs Computing kpt #: 79 total cpu time spent up to now is 38.6 secs Computing kpt #: 80 total cpu time spent up to now is 39.0 secs Computing kpt #: 81 total cpu time spent up to now is 39.5 secs Computing kpt #: 82 total cpu time spent up to now is 40.0 secs Computing kpt #: 83 total cpu time spent up to now is 40.4 secs Computing kpt #: 84 total cpu time spent up to now is 40.8 secs Computing kpt #: 85 total cpu time spent up to now is 41.3 secs Computing kpt #: 86 total cpu time spent up to now is 41.7 secs Computing kpt #: 87 total cpu time spent up to now is 42.2 secs Computing kpt #: 88 total cpu time spent up to now is 42.6 secs Computing kpt #: 89 total cpu time spent up to now is 43.1 secs Computing kpt #: 90 total cpu time spent up to now is 43.5 secs Computing kpt #: 91 total cpu time spent up to now is 43.9 secs Computing kpt #: 92 total cpu time spent up to now is 44.3 secs Computing kpt #: 93 total cpu time spent up to now is 44.8 secs Computing kpt #: 94 total cpu time spent up to now is 45.2 secs Computing kpt #: 95 total cpu time spent up to now is 45.6 secs Computing kpt #: 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to now is 52.7 secs Computing kpt #: 112 total cpu time spent up to now is 53.2 secs Computing kpt #: 113 total cpu time spent up to now is 53.6 secs Computing kpt #: 114 total cpu time spent up to now is 54.1 secs Computing kpt #: 115 total cpu time spent up to now is 54.5 secs Computing kpt #: 116 total cpu time spent up to now is 55.0 secs Computing kpt #: 117 total cpu time spent up to now is 55.4 secs Computing kpt #: 118 total cpu time spent up to now is 55.9 secs Computing kpt #: 119 total cpu time spent up to now is 56.4 secs Computing kpt #: 120 total cpu time spent up to now is 56.8 secs Computing kpt #: 121 total cpu time spent up to now is 57.3 secs Computing kpt #: 122 total cpu time spent up to now is 57.8 secs Computing kpt #: 123 total cpu time spent up to now is 58.2 secs Computing kpt #: 124 total cpu time spent up to now is 58.7 secs Computing kpt #: 125 total cpu time spent up to now is 59.2 secs Computing kpt #: 126 total cpu time spent up to now is 59.7 secs Computing kpt #: 127 total cpu time spent up to now is 60.2 secs Computing kpt #: 128 total cpu time spent up to now is 60.7 secs Computing kpt #: 129 total cpu time spent up to now is 61.2 secs Computing kpt #: 130 total cpu time spent up to now is 61.9 secs Computing kpt #: 131 total cpu time spent up to now is 62.5 secs Computing kpt #: 132 total cpu time spent up to now is 63.1 secs Computing kpt #: 133 total cpu time spent up to now is 63.6 secs Computing kpt #: 134 total cpu time spent up to now is 64.1 secs Computing kpt #: 135 total cpu time spent up to now is 64.6 secs Computing kpt #: 136 total cpu time spent up to now is 65.1 secs Computing kpt #: 137 total cpu time spent up to now is 65.5 secs Computing kpt #: 138 total cpu time spent up to now is 66.0 secs Computing kpt #: 139 total cpu time spent up to now is 66.5 secs Computing kpt #: 140 total cpu time spent up to now is 66.9 secs Computing kpt #: 141 total cpu time spent up to now is 67.4 secs Computing kpt #: 142 total cpu time spent up to now is 67.9 secs Computing kpt #: 143 total cpu time spent up to now is 68.3 secs Computing kpt #: 144 total cpu time spent up to now is 68.8 secs Computing kpt #: 145 total cpu time spent up to now is 69.3 secs Computing kpt #: 146 total cpu time spent up to now is 69.7 secs Computing kpt #: 147 total cpu time spent up to now is 70.2 secs Computing kpt #: 148 total cpu time spent up to now is 70.7 secs Computing kpt #: 149 total cpu time spent up to now is 71.1 secs Computing kpt #: 150 total cpu time spent up to now is 71.6 secs Computing kpt #: 151 total cpu time spent up to now is 72.1 secs Computing kpt #: 152 total cpu time spent up to now is 72.6 secs Computing kpt #: 153 total cpu time spent up to now is 73.1 secs Computing kpt #: 154 total cpu time spent up to now is 73.6 secs Computing kpt #: 155 total cpu time spent up to now is 74.1 secs Computing kpt #: 156 total cpu time spent up to now is 74.6 secs Computing kpt #: 157 total cpu time spent up to now is 75.0 secs Computing kpt #: 158 total cpu time spent up to now is 75.6 secs Computing kpt #: 159 total cpu time spent up to now is 76.1 secs Computing kpt #: 160 total cpu time spent up to now is 76.5 secs Computing kpt #: 161 total cpu time spent up to now is 77.1 secs Computing kpt #: 162 total cpu time spent up to now is 77.6 secs Computing kpt #: 163 total cpu time spent up to now is 78.1 secs Computing kpt #: 164 total cpu time spent up to now is 78.6 secs Computing kpt #: 165 total cpu time spent up to now is 79.1 secs Computing kpt #: 166 total cpu time spent up to now is 79.6 secs Computing kpt #: 167 total cpu time spent up to now is 80.1 secs Computing kpt #: 168 total cpu time spent up to now is 80.6 secs Computing kpt #: 169 total cpu time spent up to now is 81.2 secs Computing kpt #: 170 total cpu time spent up to now is 81.7 secs Computing kpt #: 171 total cpu time spent up to now is 82.2 secs Computing kpt #: 172 total cpu time spent up to now is 82.7 secs Computing kpt #: 173 total cpu time spent up to now is 83.2 secs Computing kpt #: 174 total cpu time spent up to now is 83.7 secs Computing kpt #: 175 total cpu time spent up to now is 84.2 secs Computing kpt #: 176 total cpu time spent up to now is 84.7 secs Computing kpt #: 177 total cpu time spent up to now is 85.2 secs Computing kpt #: 178 total cpu time spent up to now is 85.7 secs Computing kpt #: 179 total cpu time spent up to now is 86.2 secs Computing kpt #: 180 total cpu time spent up to now is 86.7 secs Computing kpt #: 181 total cpu time spent up to now is 87.2 secs Computing kpt #: 182 total cpu time spent up to now is 87.6 secs Computing kpt #: 183 total cpu time spent up to now is 88.1 secs Computing kpt #: 184 total cpu time spent up to now is 88.6 secs Computing kpt #: 185 total cpu time spent up to now is 89.1 secs Computing kpt #: 186 total cpu time spent up to now is 89.5 secs Computing kpt #: 187 total cpu time spent up to now is 90.0 secs Computing kpt #: 188 total cpu time spent up to now is 90.5 secs Computing kpt #: 189 total cpu time spent up to now is 90.9 secs Computing kpt #: 190 total cpu time spent up to now is 91.4 secs Computing kpt #: 191 total cpu time spent up to now is 91.8 secs Computing kpt #: 192 total cpu time spent up to now is 92.3 secs Computing kpt #: 193 total cpu time spent up to now is 92.7 secs Computing kpt #: 194 total cpu time spent up to now is 93.2 secs Computing kpt #: 195 total cpu time spent up to now is 93.6 secs Computing kpt #: 196 total cpu time spent up to now is 94.1 secs Computing kpt #: 197 total cpu time spent up to now is 94.5 secs Computing kpt #: 198 total cpu time spent up to now is 95.0 secs Computing kpt #: 199 total cpu time spent up to now is 95.4 secs Computing kpt #: 200 total cpu time spent up to now is 95.9 secs Computing kpt #: 201 total cpu time spent up to now is 96.4 secs Computing kpt #: 202 total cpu time spent up to now is 96.8 secs Computing kpt #: 203 total cpu time spent up to now is 97.3 secs Computing kpt #: 204 total cpu time spent up to now is 97.8 secs Computing kpt #: 205 total cpu time spent up to now is 98.3 secs Computing kpt #: 206 total cpu time spent up to now is 98.8 secs Computing kpt #: 207 total cpu time spent up to now is 99.3 secs Computing kpt #: 208 total cpu time spent up to now is 99.8 secs Computing kpt #: 209 total cpu time spent up to now is 100.3 secs Computing kpt #: 210 total cpu time spent up to now is 100.8 secs Computing kpt #: 211 total cpu time spent up to now is 101.3 secs Computing kpt #: 212 total cpu time spent up to now is 101.8 secs Computing kpt #: 213 total cpu time spent up to now is 102.3 secs Computing kpt #: 214 total cpu time spent up to now is 102.8 secs Computing kpt #: 215 total cpu time spent up to now is 103.3 secs Computing kpt #: 216 total cpu time spent up to now is 103.7 secs Computing kpt #: 217 total cpu time spent up to now is 104.2 secs Computing kpt #: 218 total cpu time spent up to now is 104.7 secs Computing kpt #: 219 total cpu time spent up to now is 105.2 secs Computing kpt #: 220 total cpu time spent up to now is 105.6 secs Computing kpt #: 221 total cpu time spent up to now is 106.1 secs Computing kpt #: 222 total cpu time spent up to now is 106.5 secs Computing kpt #: 223 total cpu time spent up to now is 107.0 secs Computing kpt #: 224 total cpu time spent up to now is 107.5 secs Computing kpt #: 225 total cpu time spent up to now is 107.9 secs Computing kpt #: 226 total cpu time spent up to now is 108.4 secs Computing kpt #: 227 total cpu time spent up to now is 108.9 secs Computing kpt #: 228 total cpu time spent up to now is 109.3 secs Computing kpt #: 229 total cpu time spent up to now is 109.8 secs Computing kpt #: 230 total cpu time spent up to now is 110.2 secs Computing kpt #: 231 total cpu time spent up to now is 110.7 secs Computing kpt #: 232 total cpu time spent up to now is 111.1 secs Computing kpt #: 233 total cpu time spent up to now is 111.6 secs Computing kpt #: 234 total cpu time spent up to now is 112.0 secs Computing kpt #: 235 total cpu time spent up to now is 112.5 secs Computing kpt #: 236 total cpu time spent up to now is 113.0 secs Computing kpt #: 237 total cpu time spent up to now is 113.4 secs Computing kpt #: 238 total cpu time spent up to now is 113.9 secs Computing kpt #: 239 total cpu time spent up to now is 114.3 secs Computing kpt #: 240 total cpu time spent up to now is 114.8 secs Computing kpt #: 241 total cpu time spent up to now is 115.2 secs Computing kpt #: 242 total cpu time spent up to now is 115.7 secs Computing kpt #: 243 total cpu time spent up to now is 116.1 secs Computing kpt #: 244 total cpu time spent up to now is 116.5 secs Computing kpt #: 245 total cpu time spent up to now is 117.0 secs Computing kpt #: 246 total cpu time spent up to now is 117.4 secs Computing kpt #: 247 total cpu time spent up to now is 117.8 secs Computing kpt #: 248 total cpu time spent up to now is 118.2 secs Computing kpt #: 249 total cpu time spent up to now is 118.7 secs Computing kpt #: 250 total cpu time spent up to now is 119.1 secs Computing kpt #: 251 total cpu time spent up to now is 119.5 secs Computing kpt #: 252 total cpu time spent up to now is 120.0 secs Computing kpt #: 253 total cpu time spent up to now is 120.4 secs Computing kpt #: 254 total cpu time spent up to now is 120.8 secs Computing kpt #: 255 total cpu time spent up to now is 121.3 secs Computing kpt #: 256 total cpu time spent up to now is 121.7 secs Computing kpt #: 257 total cpu time spent up to now is 122.2 secs Computing kpt #: 258 total cpu time spent up to now is 122.6 secs Computing kpt #: 259 total cpu time spent up to now is 123.0 secs Computing kpt #: 260 total cpu time spent up to now is 123.5 secs Computing kpt #: 261 total cpu time spent up to now is 123.9 secs Computing kpt #: 262 total cpu time spent up to now is 124.4 secs Computing kpt #: 263 total cpu time spent up to now is 124.8 secs Computing kpt #: 264 total cpu time spent up to now is 125.2 secs Computing kpt #: 265 total cpu time spent up to now is 125.7 secs Computing kpt #: 266 total cpu time spent up to now is 126.1 secs Computing kpt #: 267 total cpu time spent up to now is 126.6 secs Computing kpt #: 268 total cpu time spent up to now is 127.0 secs Computing kpt #: 269 total cpu time spent up to now is 127.5 secs Computing kpt #: 270 total cpu time spent up to now is 127.9 secs Computing kpt #: 271 total cpu time spent up to now is 128.4 secs Computing kpt #: 272 total cpu time spent up to now is 128.8 secs Computing kpt #: 273 total cpu time spent up to now is 129.3 secs Computing kpt #: 274 total cpu time spent up to now is 129.8 secs Computing kpt #: 275 total cpu time spent up to now is 130.2 secs Computing kpt #: 276 total cpu time spent up to now is 130.7 secs Computing kpt #: 277 total cpu time spent up to now is 131.1 secs Computing kpt #: 278 total cpu time spent up to now is 131.6 secs Computing kpt #: 279 total cpu time spent up to now is 132.0 secs Computing kpt #: 280 total cpu time spent up to now is 132.5 secs Computing kpt #: 281 total cpu time spent up to now is 132.9 secs Computing kpt #: 282 total cpu time spent up to now is 133.4 secs Computing kpt #: 283 total cpu time spent up to now is 133.8 secs Computing kpt #: 284 total cpu time spent up to now is 134.3 secs Computing kpt #: 285 total cpu time spent up to now is 134.7 secs Computing kpt #: 286 total cpu time spent up to now is 135.2 secs Computing kpt #: 287 total cpu time spent up to now is 135.6 secs Computing kpt #: 288 total cpu time spent up to now is 136.1 secs Computing kpt #: 289 total cpu time spent up to now is 136.6 secs Computing kpt #: 290 total cpu time spent up to now is 137.0 secs Computing kpt #: 291 total cpu time spent up to now is 137.5 secs Computing kpt #: 292 total cpu time spent up to now is 137.9 secs Computing kpt #: 293 total cpu time spent up to now is 138.3 secs Computing kpt #: 294 total cpu time spent up to now is 138.8 secs Computing kpt #: 295 total cpu time spent up to now is 139.2 secs Computing kpt #: 296 total cpu time spent up to now is 139.7 secs Computing kpt #: 297 total cpu time spent up to now is 140.2 secs Computing kpt #: 298 total cpu time spent up to now is 140.7 secs Computing kpt #: 299 total cpu time spent up to now is 141.1 secs Computing kpt #: 300 total cpu time spent up to now is 141.6 secs Computing kpt #: 301 total cpu time spent up to now is 142.1 secs Computing kpt #: 302 total cpu time spent up to now is 142.7 secs Computing kpt #: 303 total cpu time spent up to now is 143.2 secs Computing kpt #: 304 total cpu time spent up to now is 143.7 secs Computing kpt #: 305 total cpu time spent up to now is 144.2 secs Computing kpt #: 306 total cpu time spent up to now is 144.7 secs Computing kpt #: 307 total cpu time spent up to now is 145.2 secs Computing kpt #: 308 total cpu time spent up to now is 145.8 secs Computing kpt #: 309 total cpu time spent up to now is 146.3 secs Computing kpt #: 310 total cpu time spent up to now is 146.8 secs Computing kpt #: 311 total cpu time spent up to now is 147.3 secs Computing kpt #: 312 total cpu time spent up to now is 147.9 secs Computing kpt #: 313 total cpu time spent up to now is 148.4 secs Computing kpt #: 314 total cpu time spent up to now is 148.9 secs Computing kpt #: 315 total cpu time spent up to now is 149.4 secs Computing kpt #: 316 total cpu time spent up to now is 149.9 secs Computing kpt #: 317 total cpu time spent up to now is 150.4 secs Computing kpt #: 318 total cpu time spent up to now is 150.9 secs Computing kpt #: 319 total cpu time spent up to now is 151.3 secs Computing kpt #: 320 total cpu time spent up to now is 151.8 secs Computing kpt #: 321 total cpu time spent up to now is 152.3 secs Computing kpt #: 322 total cpu time spent up to now is 152.8 secs Computing kpt #: 323 total cpu time spent up to now is 153.3 secs Computing kpt #: 324 total cpu time spent up to now is 153.7 secs Computing kpt #: 325 total cpu time spent up to now is 154.2 secs Computing kpt #: 326 total cpu time spent up to now is 154.7 secs Computing kpt #: 327 total cpu time spent up to now is 155.2 secs Computing kpt #: 328 total cpu time spent up to now is 155.7 secs Computing kpt #: 329 total cpu time spent up to now is 156.2 secs Computing kpt #: 330 total cpu time spent up to now is 156.7 secs Computing kpt #: 331 total cpu time spent up to now is 157.2 secs Computing kpt #: 332 total cpu time spent up to now is 157.7 secs Computing kpt #: 333 total cpu time spent up to now is 158.2 secs Computing kpt #: 334 total cpu time spent up to now is 158.7 secs Computing kpt #: 335 total cpu time spent up to now is 159.3 secs Computing kpt #: 336 total cpu time spent up to now is 159.8 secs Computing kpt #: 337 total cpu time spent up to now is 160.3 secs Computing kpt #: 338 total cpu time spent up to now is 160.8 secs Computing kpt #: 339 total cpu time spent up to now is 161.3 secs Computing kpt #: 340 total cpu time spent up to now is 161.8 secs Computing kpt #: 341 total cpu time spent up to now is 162.3 secs Computing kpt #: 342 total cpu time spent up to now is 162.7 secs Computing kpt #: 343 total cpu time spent up to now is 163.2 secs Computing kpt #: 344 total cpu time spent up to now is 163.6 secs Computing kpt #: 345 total cpu time spent up to now is 164.0 secs Computing kpt #: 346 total cpu time spent up to now is 164.5 secs Computing kpt #: 347 total cpu time spent up to now is 164.9 secs Computing kpt #: 348 total cpu time spent up to now is 165.3 secs Computing kpt #: 349 total cpu time spent up to now is 165.8 secs Computing kpt #: 350 total cpu time spent up to now is 166.2 secs Computing kpt #: 351 total cpu time spent up to now is 166.6 secs Computing kpt #: 352 total cpu time spent up to now is 167.1 secs Computing kpt #: 353 total cpu time spent up to now is 167.5 secs Computing kpt #: 354 total cpu time spent up to now is 167.9 secs Computing kpt #: 355 total cpu time spent up to now is 168.3 secs Computing kpt #: 356 total cpu time spent up to now is 168.7 secs Computing kpt #: 357 total cpu time spent up to now is 169.1 secs Computing kpt #: 358 total cpu time spent up to now is 169.5 secs Computing kpt #: 359 total cpu time spent up to now is 170.0 secs Computing kpt #: 360 total cpu time spent up to now is 170.4 secs Computing kpt #: 361 total cpu time spent up to now is 170.8 secs Computing kpt #: 362 total cpu time spent up to now is 171.2 secs Computing kpt #: 363 total cpu time spent up to now is 171.6 secs Computing kpt #: 364 total cpu time spent up to now is 172.0 secs Computing kpt #: 365 total cpu time spent up to now is 172.4 secs Computing kpt #: 366 total cpu time spent up to now is 172.9 secs Computing kpt #: 367 total cpu time spent up to now is 173.3 secs Computing kpt #: 368 total cpu time spent up to now is 173.7 secs Computing kpt #: 369 total cpu time spent up to now is 174.1 secs Computing kpt #: 370 total cpu time spent up to now is 174.6 secs Computing kpt #: 371 total cpu time spent up to now is 175.0 secs Computing kpt #: 372 total cpu time spent up to now is 175.5 secs Computing kpt #: 373 total cpu time spent up to now is 176.0 secs Computing kpt #: 374 total cpu time spent up to now is 176.5 secs Computing kpt #: 375 total cpu time spent up to now is 177.0 secs Computing kpt #: 376 total cpu time spent up to now is 177.5 secs Computing kpt #: 377 total cpu time spent up to now is 178.0 secs Computing kpt #: 378 total cpu time spent up to now is 178.5 secs Computing kpt #: 379 total cpu time spent up to now is 179.0 secs Computing kpt #: 380 total cpu time spent up to now is 179.5 secs Computing kpt #: 381 total cpu time spent up to now is 180.0 secs Computing kpt #: 382 total cpu time spent up to now is 180.4 secs ethr = 2.63E-08, avg # of iterations = 13.2 total cpu time spent up to now is 180.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4611 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2354 -18.2354 -18.1973 -18.1973 -18.0669 -18.0669 -18.0228 -18.0228 -18.0217 -18.0217 -18.0150 -18.0150 -0.9194 -0.9194 2.5016 2.5016 2.5327 2.5327 3.4179 3.4179 3.8138 3.8138 3.9918 3.9918 4.4656 4.4656 7.1127 7.1127 12.8114 12.8114 13.4815 13.4815 13.7039 13.7039 k = 0.0000 0.0000 0.0197 ( 4605 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2353 -18.2353 -18.1973 -18.1973 -18.0668 -18.0668 -18.0229 -18.0229 -18.0216 -18.0216 -18.0150 -18.0150 -0.9185 -0.9185 2.5026 2.5026 2.5332 2.5332 3.4183 3.4183 3.8136 3.8136 3.9917 3.9917 4.4652 4.4652 7.1138 7.1138 12.8061 12.8061 13.4444 13.4444 13.6485 13.6485 k = 0.0000 0.0000 0.0393 ( 4601 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2354 -18.2354 -18.1973 -18.1973 -18.0669 -18.0669 -18.0231 -18.0231 -18.0215 -18.0215 -18.0151 -18.0151 -0.9160 -0.9160 2.5056 2.5056 2.5346 2.5346 3.4196 3.4196 3.8130 3.8130 3.9911 3.9911 4.4639 4.4639 7.1168 7.1168 12.7906 12.7906 13.3464 13.3464 13.5844 13.5844 k = 0.0000 0.0000 0.0590 ( 4589 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2353 -18.2353 -18.1973 -18.1973 -18.0668 -18.0668 -18.0233 -18.0233 -18.0213 -18.0213 -18.0151 -18.0151 -0.9118 -0.9118 2.5106 2.5106 2.5369 2.5369 3.4218 3.4218 3.8120 3.8120 3.9901 3.9901 4.4617 4.4617 7.1220 7.1220 12.7655 12.7655 13.2197 13.2197 13.5224 13.5224 k = 0.0000 0.0000 0.0786 ( 4577 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1683 -46.1683 -46.1627 -46.1627 -42.3832 -42.3832 -42.1106 -42.1106 -18.2353 -18.2353 -18.1974 -18.1974 -18.0668 -18.0668 -18.0236 -18.0236 -18.0211 -18.0211 -18.0152 -18.0152 -0.9059 -0.9059 2.5176 2.5176 2.5401 2.5401 3.4248 3.4248 3.8105 3.8105 3.9887 3.9887 4.4586 4.4586 7.1291 7.1291 12.7318 12.7318 13.0835 13.0835 13.4513 13.4513 k = 0.0000 0.0000 0.0983 ( 4577 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1683 -46.1683 -46.1626 -46.1626 -42.3833 -42.3833 -42.1106 -42.1106 -18.2353 -18.2353 -18.1976 -18.1976 -18.0668 -18.0668 -18.0239 -18.0239 -18.0210 -18.0210 -18.0154 -18.0154 -0.8983 -0.8983 2.5265 2.5265 2.5444 2.5444 3.4286 3.4286 3.8086 3.8086 3.9870 3.9870 4.4547 4.4547 7.1384 7.1384 12.6909 12.6909 12.9442 12.9442 13.3692 13.3692 k = 0.0000 0.0000 0.1180 ( 4569 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1683 -46.1683 -46.1626 -46.1626 -42.3833 -42.3833 -42.1106 -42.1106 -18.2352 -18.2352 -18.1977 -18.1977 -18.0668 -18.0668 -18.0243 -18.0243 -18.0209 -18.0209 -18.0156 -18.0156 -0.8892 -0.8892 2.5370 2.5370 2.5498 2.5498 3.4333 3.4333 3.8063 3.8063 3.9849 3.9849 4.4498 4.4498 7.1497 7.1497 12.6440 12.6440 12.8043 12.8043 13.2767 13.2767 k = 0.0000 0.0000 0.1376 ( 4565 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1682 -46.1682 -46.1626 -46.1626 -42.3833 -42.3833 -42.1107 -42.1107 -18.2352 -18.2352 -18.1980 -18.1980 -18.0668 -18.0668 -18.0247 -18.0247 -18.0208 -18.0208 -18.0159 -18.0159 -0.8784 -0.8784 2.5483 2.5483 2.5575 2.5575 3.4388 3.4388 3.8035 3.8035 3.9824 3.9824 4.4442 4.4442 7.1632 7.1632 12.5924 12.5924 12.6649 12.6649 13.1757 13.1757 k = 0.0000 0.0000 0.1573 ( 4565 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1682 -46.1682 -46.1626 -46.1626 -42.3833 -42.3833 -42.1108 -42.1108 -18.2352 -18.2352 -18.1982 -18.1982 -18.0668 -18.0668 -18.0251 -18.0251 -18.0207 -18.0207 -18.0162 -18.0162 -0.8661 -0.8661 2.5579 2.5579 2.5695 2.5695 3.4450 3.4450 3.8003 3.8003 3.9796 3.9796 4.4376 4.4376 7.1787 7.1787 12.5263 12.5263 12.5376 12.5376 13.0676 13.0676 k = 0.0000 0.0000 0.1770 ( 4567 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1682 -46.1682 -46.1626 -46.1626 -42.3833 -42.3833 -42.1109 -42.1109 -18.2352 -18.2352 -18.1985 -18.1985 -18.0669 -18.0669 -18.0255 -18.0255 -18.0207 -18.0207 -18.0165 -18.0165 -0.8522 -0.8522 2.5663 2.5663 2.5856 2.5856 3.4521 3.4521 3.7967 3.7967 3.9765 3.9765 4.4302 4.4302 7.1964 7.1964 12.3897 12.3897 12.4799 12.4799 12.9540 12.9540 k = 0.0000 0.0000 0.1966 ( 4563 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1681 -46.1681 -46.1626 -46.1626 -42.3834 -42.3834 -42.1110 -42.1110 -18.2352 -18.2352 -18.1988 -18.1988 -18.0669 -18.0669 -18.0260 -18.0260 -18.0207 -18.0207 -18.0169 -18.0169 -0.8368 -0.8368 2.5748 2.5748 2.6045 2.6045 3.4599 3.4599 3.7927 3.7927 3.9732 3.9732 4.4221 4.4221 7.2162 7.2162 12.2545 12.2545 12.4209 12.4209 12.8362 12.8362 k = 0.0000 0.0000 0.2163 ( 4571 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1681 -46.1681 -46.1626 -46.1626 -42.3834 -42.3834 -42.1111 -42.1111 -18.2352 -18.2352 -18.1992 -18.1992 -18.0670 -18.0670 -18.0266 -18.0266 -18.0208 -18.0208 -18.0174 -18.0174 -0.8200 -0.8200 2.5838 2.5838 2.6255 2.6255 3.4683 3.4683 3.7883 3.7883 3.9696 3.9696 4.4131 4.4131 7.2383 7.2383 12.1212 12.1212 12.3613 12.3613 12.7151 12.7151 k = 0.0000 0.0000 0.2359 ( 4571 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1680 -46.1680 -46.1626 -46.1626 -42.3834 -42.3834 -42.1112 -42.1112 -18.2351 -18.2351 -18.1995 -18.1995 -18.0670 -18.0670 -18.0271 -18.0271 -18.0209 -18.0209 -18.0178 -18.0178 -0.8019 -0.8019 2.5935 2.5935 2.6486 2.6486 3.4775 3.4775 3.7836 3.7836 3.9659 3.9659 4.4033 4.4033 7.2625 7.2625 11.9899 11.9899 12.3017 12.3017 12.5916 12.5916 k = 0.0000 0.0000 0.2556 ( 4571 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1679 -46.1679 -46.1626 -46.1626 -42.3835 -42.3835 -42.1114 -42.1114 -18.2351 -18.2351 -18.2000 -18.2000 -18.0670 -18.0670 -18.0276 -18.0276 -18.0210 -18.0210 -18.0183 -18.0183 -0.7824 -0.7824 2.6038 2.6038 2.6737 2.6737 3.4872 3.4872 3.7784 3.7784 3.9620 3.9620 4.3929 4.3929 7.2889 7.2889 11.8608 11.8608 12.2427 12.2427 12.4664 12.4664 k = 0.0000 0.0000 0.2753 ( 4569 PWs) bands (ev): -77.8781 -77.8781 -46.7225 -46.7225 -46.1679 -46.1679 -46.1626 -46.1626 -42.3835 -42.3835 -42.1115 -42.1115 -18.2351 -18.2351 -18.2004 -18.2004 -18.0670 -18.0670 -18.0281 -18.0281 -18.0212 -18.0212 -18.0187 -18.0187 -0.7616 -0.7616 2.6148 2.6148 2.7008 2.7008 3.4975 3.4975 3.7729 3.7729 3.9580 3.9580 4.3818 4.3818 7.3177 7.3177 11.7338 11.7338 12.1847 12.1847 12.3401 12.3401 k = 0.0000 0.0000 0.2949 ( 4561 PWs) bands (ev): -77.8780 -77.8780 -46.7225 -46.7225 -46.1678 -46.1678 -46.1626 -46.1626 -42.3835 -42.3835 -42.1116 -42.1116 -18.2350 -18.2350 -18.2008 -18.2008 -18.0670 -18.0670 -18.0287 -18.0287 -18.0214 -18.0214 -18.0191 -18.0191 -0.7397 -0.7397 2.6264 2.6264 2.7298 2.7298 3.5083 3.5083 3.7671 3.7671 3.9540 3.9540 4.3701 4.3701 7.3487 7.3487 11.6091 11.6091 12.1282 12.1282 12.2131 12.2131 k = 0.0000 0.0000 0.3146 ( 4551 PWs) bands (ev): -77.8780 -77.8780 -46.7225 -46.7225 -46.1677 -46.1677 -46.1626 -46.1626 -42.3836 -42.3836 -42.1117 -42.1117 -18.2349 -18.2349 -18.2013 -18.2013 -18.0670 -18.0670 -18.0292 -18.0292 -18.0217 -18.0217 -18.0195 -18.0195 -0.7166 -0.7166 2.6386 2.6386 2.7608 2.7608 3.5195 3.5195 3.7609 3.7609 3.9502 3.9502 4.3578 4.3578 7.3821 7.3821 11.4868 11.4868 12.0713 12.0713 12.0880 12.0880 k = 0.0000 0.0000 0.3343 ( 4563 PWs) bands (ev): -77.8780 -77.8780 -46.7226 -46.7226 -46.1677 -46.1677 -46.1626 -46.1626 -42.3836 -42.3836 -42.1120 -42.1120 -18.2349 -18.2349 -18.2019 -18.2019 -18.0670 -18.0670 -18.0298 -18.0298 -18.0222 -18.0222 -18.0200 -18.0200 -0.6925 -0.6925 2.6513 2.6513 2.7935 2.7935 3.5310 3.5310 3.7544 3.7544 3.9464 3.9464 4.3449 4.3449 7.4178 7.4178 11.3667 11.3667 11.9569 11.9569 12.0226 12.0226 k = 0.0000 0.0000 0.3539 ( 4559 PWs) bands (ev): -77.8780 -77.8780 -46.7227 -46.7227 -46.1676 -46.1676 -46.1626 -46.1626 -42.3837 -42.3837 -42.1121 -42.1121 -18.2349 -18.2349 -18.2024 -18.2024 -18.0670 -18.0670 -18.0304 -18.0304 -18.0227 -18.0227 -18.0203 -18.0203 -0.6674 -0.6674 2.6645 2.6645 2.8281 2.8281 3.5427 3.5427 3.7477 3.7477 3.9430 3.9430 4.3317 4.3317 7.4560 7.4560 11.2491 11.2491 11.8298 11.8298 11.9725 11.9725 k = 0.0000 0.0000 0.3736 ( 4555 PWs) bands (ev): -77.8780 -77.8780 -46.7227 -46.7227 -46.1675 -46.1675 -46.1625 -46.1625 -42.3837 -42.3837 -42.1123 -42.1123 -18.2348 -18.2348 -18.2029 -18.2029 -18.0670 -18.0670 -18.0310 -18.0310 -18.0232 -18.0232 -18.0206 -18.0206 -0.6414 -0.6414 2.6782 2.6782 2.8645 2.8645 3.5544 3.5544 3.7408 3.7408 3.9399 3.9399 4.3181 4.3181 7.4966 7.4966 11.1338 11.1338 11.7028 11.7028 11.9249 11.9249 k = 0.0000 0.0000 0.3932 ( 4557 PWs) bands (ev): -77.8780 -77.8780 -46.7228 -46.7228 -46.1674 -46.1674 -46.1625 -46.1625 -42.3838 -42.3838 -42.1125 -42.1125 -18.2348 -18.2348 -18.2035 -18.2035 -18.0671 -18.0671 -18.0316 -18.0316 -18.0239 -18.0239 -18.0209 -18.0209 -0.6146 -0.6146 2.6924 2.6924 2.9025 2.9025 3.5660 3.5660 3.7337 3.7337 3.9375 3.9375 4.3043 4.3043 7.5396 7.5396 11.0210 11.0210 11.5764 11.5764 11.8706 11.8706 k = 0.0000 0.0000 0.4129 ( 4551 PWs) bands (ev): -77.8780 -77.8780 -46.7228 -46.7228 -46.1673 -46.1673 -46.1625 -46.1625 -42.3838 -42.3838 -42.1127 -42.1127 -18.2347 -18.2347 -18.2041 -18.2041 -18.0670 -18.0670 -18.0321 -18.0321 -18.0246 -18.0246 -18.0212 -18.0212 -0.5871 -0.5871 2.7069 2.7069 2.9420 2.9420 3.5773 3.5773 3.7265 3.7265 3.9357 3.9357 4.2905 4.2905 7.5852 7.5852 10.9105 10.9105 11.4506 11.4506 11.7760 11.7760 k = 0.0000 0.0000 0.4326 ( 4553 PWs) bands (ev): -77.8780 -77.8780 -46.7229 -46.7229 -46.1673 -46.1673 -46.1625 -46.1625 -42.3839 -42.3839 -42.1129 -42.1129 -18.2347 -18.2347 -18.2047 -18.2047 -18.0671 -18.0671 -18.0328 -18.0328 -18.0253 -18.0253 -18.0215 -18.0215 -0.5589 -0.5589 2.7218 2.7218 2.9829 2.9829 3.5882 3.5882 3.7191 3.7191 3.9348 3.9348 4.2768 4.2768 7.6334 7.6334 10.8024 10.8024 11.3258 11.3258 11.6796 11.6796 k = 0.0000 0.0000 0.4522 ( 4553 PWs) bands (ev): -77.8779 -77.8779 -46.7230 -46.7230 -46.1672 -46.1672 -46.1625 -46.1625 -42.3839 -42.3839 -42.1131 -42.1131 -18.2347 -18.2347 -18.2053 -18.2053 -18.0671 -18.0671 -18.0334 -18.0334 -18.0260 -18.0260 -18.0218 -18.0218 -0.5303 -0.5303 2.7369 2.7369 3.0250 3.0250 3.5984 3.5984 3.7118 3.7118 3.9350 3.9350 4.2634 4.2634 7.6841 7.6841 10.6966 10.6966 11.2019 11.2019 11.5854 11.5854 k = 0.0000 0.0000 0.4719 ( 4553 PWs) bands (ev): -77.8779 -77.8779 -46.7231 -46.7231 -46.1671 -46.1671 -46.1625 -46.1625 -42.3840 -42.3840 -42.1133 -42.1133 -18.2347 -18.2347 -18.2059 -18.2059 -18.0671 -18.0671 -18.0340 -18.0340 -18.0267 -18.0267 -18.0221 -18.0221 -0.5012 -0.5012 2.7524 2.7524 3.0680 3.0680 3.6078 3.6078 3.7045 3.7045 3.9364 3.9364 4.2506 4.2506 7.7375 7.7375 10.5931 10.5931 11.0790 11.0790 11.4937 11.4937 k = 0.0000 0.0000 0.4915 ( 4547 PWs) bands (ev): -77.8779 -77.8779 -46.7231 -46.7231 -46.1670 -46.1670 -46.1625 -46.1625 -42.3841 -42.3841 -42.1135 -42.1135 -18.2346 -18.2346 -18.2065 -18.2065 -18.0671 -18.0671 -18.0346 -18.0346 -18.0275 -18.0275 -18.0224 -18.0224 -0.4717 -0.4717 2.7680 2.7680 3.1115 3.1115 3.6163 3.6163 3.6975 3.6975 3.9392 3.9392 4.2387 4.2387 7.7936 7.7936 10.4918 10.4918 10.9574 10.9574 11.4044 11.4044 k = 0.0000 0.0000 0.5112 ( 4547 PWs) bands (ev): -77.8779 -77.8779 -46.7232 -46.7232 -46.1669 -46.1669 -46.1624 -46.1624 -42.3841 -42.3841 -42.1137 -42.1137 -18.2346 -18.2346 -18.2072 -18.2072 -18.0672 -18.0672 -18.0352 -18.0352 -18.0282 -18.0282 -18.0227 -18.0227 -0.4420 -0.4420 2.7838 2.7838 3.1551 3.1551 3.6236 3.6236 3.6910 3.6910 3.9435 3.9435 4.2280 4.2280 7.8523 7.8523 10.3926 10.3926 10.8370 10.8370 11.3176 11.3176 k = 0.0000 0.0000 0.5309 ( 4557 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1668 -46.1668 -46.1624 -46.1624 -42.3842 -42.3842 -42.1140 -42.1140 -18.2347 -18.2347 -18.2078 -18.2078 -18.0673 -18.0673 -18.0358 -18.0358 -18.0290 -18.0290 -18.0231 -18.0231 -0.4122 -0.4122 2.7997 2.7997 3.1982 3.1982 3.6296 3.6296 3.6853 3.6853 3.9492 3.9492 4.2192 4.2192 7.9139 7.9139 10.2956 10.2956 10.7180 10.7180 11.2333 11.2333 k = 0.0000 0.0000 0.5505 ( 4563 PWs) bands (ev): -77.8779 -77.8779 -46.7234 -46.7234 -46.1667 -46.1667 -46.1624 -46.1624 -42.3843 -42.3843 -42.1142 -42.1142 -18.2347 -18.2347 -18.2085 -18.2085 -18.0673 -18.0673 -18.0364 -18.0364 -18.0299 -18.0299 -18.0235 -18.0235 -0.3822 -0.3822 2.8157 2.8157 3.2399 3.2399 3.6337 3.6337 3.6815 3.6815 3.9564 3.9564 4.2126 4.2126 7.9781 7.9781 10.2004 10.2004 10.6005 10.6005 11.1516 11.1516 k = 0.0000 0.0000 0.5702 ( 4561 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1666 -46.1666 -46.1624 -46.1624 -42.3843 -42.3843 -42.1144 -42.1144 -18.2347 -18.2347 -18.2091 -18.2091 -18.0673 -18.0673 -18.0370 -18.0370 -18.0306 -18.0306 -18.0239 -18.0239 -0.3523 -0.3523 2.8317 2.8317 3.2792 3.2792 3.6350 3.6350 3.6808 3.6808 3.9651 3.9651 4.2090 4.2090 8.0452 8.0452 10.1072 10.1072 10.4844 10.4844 11.0723 11.0723 k = 0.0000 0.0000 0.5899 ( 4555 PWs) bands (ev): -77.8778 -77.8778 -46.7235 -46.7235 -46.1665 -46.1665 -46.1624 -46.1624 -42.3844 -42.3844 -42.1146 -42.1146 -18.2346 -18.2346 -18.2098 -18.2098 -18.0673 -18.0673 -18.0375 -18.0375 -18.0314 -18.0314 -18.0243 -18.0243 -0.3226 -0.3226 2.8477 2.8477 3.3150 3.3150 3.6327 3.6327 3.6845 3.6845 3.9757 3.9757 4.2090 4.2090 8.1151 8.1151 10.0158 10.0158 10.3699 10.3699 10.9955 10.9955 k = 0.0000 0.0000 0.6095 ( 4553 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1664 -46.1664 -46.1624 -46.1624 -42.3844 -42.3844 -42.1148 -42.1148 -18.2346 -18.2346 -18.2104 -18.2104 -18.0673 -18.0673 -18.0381 -18.0381 -18.0322 -18.0322 -18.0246 -18.0246 -0.2930 -0.2930 2.8637 2.8637 3.3460 3.3460 3.6273 3.6273 3.6924 3.6924 3.9884 3.9884 4.2131 4.2131 8.1878 8.1878 9.9260 9.9260 10.2571 10.2571 10.9212 10.9212 k = 0.0000 0.0000 0.6292 ( 4553 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1663 -46.1663 -46.1624 -46.1624 -42.3845 -42.3845 -42.1151 -42.1151 -18.2346 -18.2346 -18.2110 -18.2110 -18.0674 -18.0674 -18.0387 -18.0387 -18.0329 -18.0329 -18.0250 -18.0250 -0.2637 -0.2637 2.8795 2.8795 3.3713 3.3713 3.6198 3.6198 3.7030 3.7030 4.0043 4.0043 4.2219 4.2219 8.2633 8.2633 9.8377 9.8377 10.1461 10.1461 10.8494 10.8494 k = 0.0000 0.0000 0.6488 ( 4560 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1662 -46.1662 -46.1623 -46.1623 -42.3846 -42.3846 -42.1153 -42.1153 -18.2347 -18.2347 -18.2117 -18.2117 -18.0674 -18.0674 -18.0392 -18.0392 -18.0337 -18.0337 -18.0255 -18.0255 -0.2349 -0.2349 2.8952 2.8952 3.3905 3.3905 3.6108 3.6108 3.7145 3.7145 4.0245 4.0245 4.2355 4.2355 8.3416 8.3416 9.7510 9.7510 10.0368 10.0368 10.7801 10.7801 k = 0.0000 0.0000 0.6685 ( 4560 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1662 -46.1662 -46.1623 -46.1623 -42.3846 -42.3846 -42.1156 -42.1156 -18.2347 -18.2347 -18.2123 -18.2123 -18.0674 -18.0674 -18.0398 -18.0398 -18.0344 -18.0344 -18.0259 -18.0259 -0.2064 -0.2064 2.9108 2.9108 3.4039 3.4039 3.6008 3.6008 3.7251 3.7251 4.0503 4.0503 4.2544 4.2544 8.4226 8.4226 9.6656 9.6656 9.9295 9.9295 10.7132 10.7132 k = 0.0000 0.0000 0.6882 ( 4564 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1661 -46.1661 -46.1623 -46.1623 -42.3847 -42.3847 -42.1158 -42.1158 -18.2347 -18.2347 -18.2129 -18.2129 -18.0675 -18.0675 -18.0403 -18.0403 -18.0352 -18.0352 -18.0264 -18.0264 -0.1785 -0.1785 2.9261 2.9261 3.4122 3.4122 3.5900 3.5900 3.7328 3.7328 4.0822 4.0822 4.2787 4.2787 8.5062 8.5062 9.5815 9.5815 9.8241 9.8241 10.6487 10.6487 k = 0.0000 0.0000 0.7078 ( 4568 PWs) bands (ev): -77.8778 -77.8778 -46.7240 -46.7240 -46.1660 -46.1660 -46.1623 -46.1623 -42.3848 -42.3848 -42.1160 -42.1160 -18.2347 -18.2347 -18.2135 -18.2135 -18.0675 -18.0675 -18.0408 -18.0408 -18.0359 -18.0359 -18.0268 -18.0268 -0.1513 -0.1513 2.9411 2.9411 3.4163 3.4163 3.5785 3.5785 3.7369 3.7369 4.1196 4.1196 4.3090 4.3090 8.5921 8.5921 9.4989 9.4989 9.7208 9.7208 10.5867 10.5867 k = 0.0000 0.0000 0.7275 ( 4580 PWs) bands (ev): -77.8777 -77.8777 -46.7241 -46.7241 -46.1659 -46.1659 -46.1623 -46.1623 -42.3849 -42.3849 -42.1163 -42.1163 -18.2348 -18.2348 -18.2142 -18.2142 -18.0676 -18.0676 -18.0414 -18.0414 -18.0366 -18.0366 -18.0273 -18.0273 -0.1247 -0.1247 2.9559 2.9559 3.4171 3.4171 3.5665 3.5665 3.7372 3.7372 4.1608 4.1608 4.3461 4.3461 8.6798 8.6798 9.4182 9.4182 9.6197 9.6197 10.5271 10.5271 k = 0.0000 0.0000 0.7472 ( 4584 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1658 -46.1658 -46.1623 -46.1623 -42.3849 -42.3849 -42.1165 -42.1165 -18.2348 -18.2348 -18.2147 -18.2147 -18.0676 -18.0676 -18.0419 -18.0419 -18.0372 -18.0372 -18.0277 -18.0277 -0.0988 -0.0988 2.9703 2.9703 3.4153 3.4153 3.5541 3.5541 3.7342 3.7342 4.2036 4.2036 4.3909 4.3909 8.7681 8.7681 9.3402 9.3402 9.5208 9.5208 10.4699 10.4699 k = 0.0000 0.0000 0.7668 ( 4584 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1657 -46.1657 -46.1623 -46.1623 -42.3850 -42.3850 -42.1167 -42.1167 -18.2349 -18.2349 -18.2153 -18.2153 -18.0677 -18.0677 -18.0424 -18.0424 -18.0378 -18.0378 -18.0282 -18.0282 -0.0737 -0.0737 2.9843 2.9843 3.4118 3.4118 3.5414 3.5414 3.7286 3.7286 4.2459 4.2459 4.4440 4.4440 8.8539 8.8539 9.2680 9.2680 9.4242 9.4242 10.4151 10.4151 k = 0.0000 0.0000 0.7865 ( 4588 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1657 -46.1657 -46.1623 -46.1623 -42.3851 -42.3851 -42.1169 -42.1169 -18.2349 -18.2349 -18.2158 -18.2158 -18.0677 -18.0677 -18.0429 -18.0429 -18.0384 -18.0384 -18.0287 -18.0287 -0.0495 -0.0495 2.9980 2.9980 3.4068 3.4068 3.5284 3.5284 3.7211 3.7211 4.2865 4.2865 4.5056 4.5056 8.9270 8.9270 9.2116 9.2116 9.3301 9.3301 10.3627 10.3627 k = 0.0000 0.0000 0.8061 ( 4576 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1656 -46.1656 -46.1622 -46.1622 -42.3851 -42.3851 -42.1171 -42.1171 -18.2349 -18.2349 -18.2163 -18.2163 -18.0677 -18.0677 -18.0434 -18.0434 -18.0388 -18.0388 -18.0291 -18.0291 -0.0262 -0.0262 3.0113 3.0113 3.4007 3.4007 3.5154 3.5154 3.7122 3.7122 4.3251 4.3251 4.5747 4.5747 8.9574 8.9574 9.2007 9.2007 9.2384 9.2384 10.3127 10.3127 k = 0.0000 0.0000 0.8258 ( 4572 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1655 -46.1655 -46.1622 -46.1622 -42.3851 -42.3851 -42.1173 -42.1173 -18.2349 -18.2349 -18.2168 -18.2168 -18.0677 -18.0677 -18.0439 -18.0439 -18.0393 -18.0393 -18.0295 -18.0295 -0.0038 -0.0038 3.0241 3.0241 3.3939 3.3939 3.5022 3.5022 3.7024 3.7024 4.3619 4.3619 4.6501 4.6501 8.9245 8.9245 9.1491 9.1491 9.2561 9.2561 10.2651 10.2651 k = 0.0000 0.0000 0.8455 ( 4584 PWs) bands (ev): -77.8777 -77.8777 -46.7245 -46.7245 -46.1654 -46.1654 -46.1622 -46.1622 -42.3852 -42.3852 -42.1175 -42.1175 -18.2349 -18.2349 -18.2174 -18.2174 -18.0677 -18.0677 -18.0444 -18.0444 -18.0397 -18.0397 -18.0301 -18.0301 0.0176 0.0176 3.0365 3.0365 3.3865 3.3865 3.4891 3.4891 3.6921 3.6921 4.3974 4.3974 4.7308 4.7308 8.8593 8.8593 9.0625 9.0625 9.3462 9.3462 10.2199 10.2199 k = 0.0000 0.0000 0.8651 ( 4588 PWs) bands (ev): -77.8777 -77.8777 -46.7246 -46.7246 -46.1654 -46.1654 -46.1622 -46.1622 -42.3853 -42.3853 -42.1177 -42.1177 -18.2349 -18.2349 -18.2179 -18.2179 -18.0677 -18.0677 -18.0449 -18.0449 -18.0401 -18.0401 -18.0306 -18.0306 0.0380 0.0380 3.0484 3.0484 3.3787 3.3787 3.4762 3.4762 3.6816 3.6816 4.4318 4.4318 4.8158 4.8158 8.7830 8.7830 8.9786 8.9786 9.4499 9.4499 10.1770 10.1770 k = 0.0000 0.0000 0.8848 ( 4596 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1653 -46.1653 -46.1622 -46.1622 -42.3853 -42.3853 -42.1179 -42.1179 -18.2350 -18.2350 -18.2184 -18.2184 -18.0677 -18.0677 -18.0454 -18.0454 -18.0405 -18.0405 -18.0311 -18.0311 0.0574 0.0574 3.0598 3.0598 3.3706 3.3706 3.4635 3.4635 3.6710 3.6710 4.4654 4.4654 4.9043 4.9043 8.7021 8.7021 8.8975 8.8975 9.5606 9.5606 10.1365 10.1365 k = 0.0000 0.0000 0.9045 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1653 -46.1653 -46.1622 -46.1622 -42.3854 -42.3854 -42.1181 -42.1181 -18.2350 -18.2350 -18.2187 -18.2187 -18.0677 -18.0677 -18.0459 -18.0459 -18.0408 -18.0408 -18.0315 -18.0315 0.0758 0.0758 3.0707 3.0707 3.3623 3.3623 3.4512 3.4512 3.6607 3.6607 4.4981 4.4981 4.9958 4.9958 8.6185 8.6185 8.8194 8.8194 9.6761 9.6761 10.0984 10.0984 k = 0.0000 0.0000 0.9241 ( 4600 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1652 -46.1652 -46.1622 -46.1622 -42.3854 -42.3854 -42.1183 -42.1183 -18.2351 -18.2351 -18.2192 -18.2192 -18.0677 -18.0677 -18.0464 -18.0464 -18.0411 -18.0411 -18.0320 -18.0320 0.0930 0.0930 3.0810 3.0810 3.3540 3.3540 3.4393 3.4393 3.6506 3.6506 4.5301 4.5301 5.0897 5.0897 8.5332 8.5332 8.7443 8.7443 9.7953 9.7953 10.0626 10.0626 k = 0.0000 0.0000 0.9438 ( 4600 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1651 -46.1651 -46.1621 -46.1621 -42.3855 -42.3855 -42.1184 -42.1184 -18.2351 -18.2351 -18.2195 -18.2195 -18.0677 -18.0677 -18.0468 -18.0468 -18.0412 -18.0412 -18.0325 -18.0325 0.1092 0.1092 3.0909 3.0909 3.3456 3.3456 3.4279 3.4279 3.6409 3.6409 4.5611 4.5611 5.1856 5.1856 8.4464 8.4464 8.6726 8.6726 9.9176 9.9176 10.0293 10.0293 k = 0.0000 0.0000 0.9634 ( 4600 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1651 -46.1651 -46.1621 -46.1621 -42.3855 -42.3855 -42.1186 -42.1186 -18.2351 -18.2351 -18.2199 -18.2199 -18.0677 -18.0677 -18.0473 -18.0473 -18.0414 -18.0414 -18.0329 -18.0329 0.1243 0.1243 3.1001 3.1001 3.3374 3.3374 3.4171 3.4171 3.6317 3.6317 4.5912 4.5912 5.2830 5.2830 8.3583 8.3583 8.6044 8.6044 9.9971 9.9971 10.0441 10.0441 k = 0.0000 0.0000 0.9831 ( 4596 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1650 -46.1650 -46.1621 -46.1621 -42.3855 -42.3855 -42.1187 -42.1187 -18.2351 -18.2351 -18.2202 -18.2202 -18.0677 -18.0677 -18.0477 -18.0477 -18.0415 -18.0415 -18.0333 -18.0333 0.1382 0.1382 3.1088 3.1088 3.3293 3.3293 3.4069 3.4069 3.6231 3.6231 4.6200 4.6200 5.3816 5.3816 8.2692 8.2692 8.5400 8.5400 9.9688 9.9688 10.1713 10.1713 k = 0.0000 0.0000 1.0028 ( 4594 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1650 -46.1650 -46.1621 -46.1621 -42.3856 -42.3856 -42.1188 -42.1188 -18.2351 -18.2351 -18.2205 -18.2205 -18.0677 -18.0677 -18.0481 -18.0481 -18.0416 -18.0416 -18.0337 -18.0337 0.1511 0.1511 3.1169 3.1169 3.3215 3.3215 3.3973 3.3973 3.6150 3.6150 4.6476 4.6476 5.4808 5.4808 8.1793 8.1793 8.4796 8.4796 9.9424 9.9424 10.3012 10.3012 k = 0.0000 0.0000 1.0224 ( 4590 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1649 -46.1649 -46.1621 -46.1621 -42.3856 -42.3856 -42.1189 -42.1189 -18.2351 -18.2351 -18.2208 -18.2208 -18.0677 -18.0677 -18.0484 -18.0484 -18.0416 -18.0416 -18.0341 -18.0341 0.1628 0.1628 3.1245 3.1245 3.3139 3.3139 3.3885 3.3885 3.6076 3.6076 4.6737 4.6737 5.5801 5.5801 8.0890 8.0890 8.4235 8.4235 9.9182 9.9182 10.4328 10.4328 k = 0.0000 0.0000 1.0421 ( 4598 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1649 -46.1649 -46.1621 -46.1621 -42.3856 -42.3856 -42.1190 -42.1190 -18.2352 -18.2352 -18.2211 -18.2211 -18.0677 -18.0677 -18.0488 -18.0488 -18.0417 -18.0417 -18.0345 -18.0345 0.1734 0.1734 3.1314 3.1314 3.3068 3.3068 3.3805 3.3805 3.6007 3.6007 4.6981 4.6981 5.6789 5.6789 7.9985 7.9985 8.3720 8.3720 9.8964 9.8964 10.5656 10.5656 k = 0.0000 0.0000 1.0617 ( 4598 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1649 -46.1649 -46.1621 -46.1621 -42.3857 -42.3857 -42.1191 -42.1191 -18.2352 -18.2352 -18.2213 -18.2213 -18.0677 -18.0677 -18.0491 -18.0491 -18.0417 -18.0417 -18.0349 -18.0349 0.1829 0.1829 3.1377 3.1377 3.3001 3.3001 3.3732 3.3732 3.5947 3.5947 4.7206 4.7206 5.7765 5.7765 7.9087 7.9087 8.3251 8.3251 9.8768 9.8768 10.6987 10.6987 k = 0.0000 0.0000 1.0814 ( 4602 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1649 -46.1649 -46.1621 -46.1621 -42.3857 -42.3857 -42.1192 -42.1192 -18.2352 -18.2352 -18.2215 -18.2215 -18.0676 -18.0676 -18.0494 -18.0494 -18.0417 -18.0417 -18.0353 -18.0353 0.1912 0.1912 3.1434 3.1434 3.2940 3.2940 3.3667 3.3667 3.5892 3.5892 4.7411 4.7411 5.8718 5.8718 7.8204 7.8204 8.2831 8.2831 9.8596 9.8596 10.8313 10.8313 k = 0.0000 0.0000 1.1011 ( 4594 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2352 -18.2352 -18.2217 -18.2217 -18.0676 -18.0676 -18.0496 -18.0496 -18.0417 -18.0417 -18.0355 -18.0355 0.1985 0.1985 3.1484 3.1484 3.2885 3.2885 3.3610 3.3610 3.5845 3.5845 4.7593 4.7593 5.9636 5.9636 7.7348 7.7348 8.2463 8.2463 9.8446 9.8446 10.9621 10.9621 k = 0.0000 0.0000 1.1207 ( 4598 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2352 -18.2352 -18.2218 -18.2218 -18.0676 -18.0676 -18.0499 -18.0499 -18.0416 -18.0416 -18.0358 -18.0358 0.2046 0.2046 3.1528 3.1528 3.2836 3.2836 3.3562 3.3562 3.5805 3.5805 4.7750 4.7750 6.0501 6.0501 7.6535 7.6535 8.2148 8.2148 9.8320 9.8320 11.0892 11.0892 k = 0.0000 0.0000 1.1404 ( 4598 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1620 -46.1620 -42.3857 -42.3857 -42.1194 -42.1194 -18.2352 -18.2352 -18.2220 -18.2220 -18.0675 -18.0675 -18.0501 -18.0501 -18.0416 -18.0416 -18.0360 -18.0360 0.2096 0.2096 3.1564 3.1564 3.2795 3.2795 3.3522 3.3522 3.5773 3.5773 4.7882 4.7882 6.1291 6.1291 7.5789 7.5789 8.1888 8.1888 9.8217 9.8217 11.2102 11.2102 k = 0.0000 0.0000 1.1601 ( 4590 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0675 -18.0675 -18.0503 -18.0503 -18.0415 -18.0415 -18.0362 -18.0362 0.2135 0.2135 3.1593 3.1593 3.2763 3.2763 3.3491 3.3491 3.5747 3.5747 4.7986 4.7986 6.1973 6.1973 7.5141 7.5141 8.1684 8.1684 9.8136 9.8136 11.3217 11.3217 k = 0.0000 0.0000 1.1797 ( 4590 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0675 -18.0675 -18.0504 -18.0504 -18.0414 -18.0414 -18.0364 -18.0364 0.2163 0.2163 3.1613 3.1613 3.2740 3.2740 3.3468 3.3468 3.5729 3.5729 4.8061 4.8061 6.2509 6.2509 7.4630 7.4630 8.1537 8.1537 9.8079 9.8079 11.4193 11.4193 k = 0.0000 0.0000 1.1994 ( 4586 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0504 -18.0504 -18.0414 -18.0414 -18.0364 -18.0364 0.2179 0.2179 3.1626 3.1626 3.2726 3.2726 3.3455 3.3455 3.5718 3.5718 4.8106 4.8106 6.2855 6.2855 7.4298 7.4298 8.1449 8.1449 9.8044 9.8044 11.4948 11.4948 k = 0.0000 0.0000 1.2190 ( 4588 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0504 -18.0504 -18.0414 -18.0414 -18.0365 -18.0365 0.2185 0.2185 3.1630 3.1630 3.2721 3.2721 3.3450 3.3450 3.5715 3.5715 4.8121 4.8121 6.2975 6.2975 7.4183 7.4183 8.1419 8.1419 9.8033 9.8033 11.5279 11.5279 k = 0.0000 0.0000 1.2190 ( 4588 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0504 -18.0504 -18.0414 -18.0414 -18.0365 -18.0365 0.2185 0.2185 3.1630 3.1630 3.2721 3.2721 3.3450 3.3450 3.5715 3.5715 4.8121 4.8121 6.2975 6.2975 7.4183 7.4183 8.1419 8.1419 9.8033 9.8033 11.5279 11.5279 k =-0.0072 0.0161 1.2190 ( 4584 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0504 -18.0504 -18.0414 -18.0414 -18.0365 -18.0365 0.2184 0.2184 3.1591 3.1591 3.2736 3.2736 3.3463 3.3463 3.5721 3.5721 4.8109 4.8109 6.2937 6.2937 7.4205 7.4205 8.1414 8.1414 9.8035 9.8035 11.5345 11.5345 k =-0.0144 0.0321 1.2190 ( 4582 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2351 -18.2351 -18.2222 -18.2222 -18.0675 -18.0675 -18.0503 -18.0503 -18.0414 -18.0414 -18.0364 -18.0364 0.2182 0.2182 3.1481 3.1481 3.2776 3.2776 3.3499 3.3499 3.5740 3.5740 4.8071 4.8071 6.2823 6.2823 7.4269 7.4269 8.1399 8.1399 9.8042 9.8042 11.5543 11.5543 k =-0.0217 0.0482 1.2190 ( 4582 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1194 -42.1194 -18.2351 -18.2351 -18.2221 -18.2221 -18.0674 -18.0674 -18.0503 -18.0503 -18.0413 -18.0413 -18.0364 -18.0364 0.2179 0.2179 3.1315 3.1315 3.2829 3.2829 3.3554 3.3554 3.5772 3.5772 4.8008 4.8008 6.2634 6.2634 7.4375 7.4375 8.1377 8.1377 9.8053 9.8053 11.5867 11.5867 k =-0.0289 0.0642 1.2190 ( 4582 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1194 -42.1194 -18.2350 -18.2350 -18.2221 -18.2221 -18.0673 -18.0673 -18.0502 -18.0502 -18.0413 -18.0413 -18.0364 -18.0364 0.2175 0.2175 3.1106 3.1106 3.2887 3.2887 3.3625 3.3625 3.5814 3.5814 4.7921 4.7921 6.2372 6.2372 7.4523 7.4523 8.1349 8.1349 9.8069 9.8069 11.6306 11.6306 k =-0.0361 0.0803 1.2190 ( 4584 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2349 -18.2349 -18.2221 -18.2221 -18.0673 -18.0673 -18.0501 -18.0501 -18.0413 -18.0413 -18.0363 -18.0363 0.2169 0.2169 3.0865 3.0865 3.2948 3.2948 3.3705 3.3705 3.5868 3.5868 4.7810 4.7810 6.2039 6.2039 7.4712 7.4712 8.1319 8.1319 9.8090 9.8090 11.6816 11.6816 k =-0.0433 0.0964 1.2190 ( 4588 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2348 -18.2348 -18.2221 -18.2221 -18.0672 -18.0672 -18.0500 -18.0500 -18.0413 -18.0413 -18.0362 -18.0362 0.2162 0.2162 3.0596 3.0596 3.3012 3.3012 3.3791 3.3791 3.5931 3.5931 4.7677 4.7677 6.1639 6.1639 7.4940 7.4940 8.1291 8.1291 9.8117 9.8117 11.7200 11.7200 k =-0.0506 0.1124 1.2190 ( 4600 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2347 -18.2347 -18.2221 -18.2221 -18.0672 -18.0672 -18.0498 -18.0498 -18.0413 -18.0413 -18.0361 -18.0361 0.2153 0.2153 3.0304 3.0304 3.3078 3.3078 3.3879 3.3879 3.6003 3.6003 4.7524 4.7524 6.1174 6.1174 7.5206 7.5206 8.1269 8.1269 9.8151 9.8151 11.7449 11.7449 k =-0.0506 0.1124 1.2190 ( 4600 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2347 -18.2347 -18.2221 -18.2221 -18.0672 -18.0672 -18.0498 -18.0498 -18.0413 -18.0413 -18.0361 -18.0361 0.2153 0.2153 3.0304 3.0304 3.3078 3.3078 3.3879 3.3879 3.6003 3.6003 4.7524 4.7524 6.1174 6.1174 7.5206 7.5206 8.1269 8.1269 9.8151 9.8151 11.7449 11.7449 k =-0.0562 0.1249 1.2053 ( 4602 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1622 -46.1622 -42.3857 -42.3857 -42.1193 -42.1193 -18.2346 -18.2346 -18.2220 -18.2220 -18.0671 -18.0671 -18.0497 -18.0497 -18.0413 -18.0413 -18.0361 -18.0361 0.2143 0.2143 3.0064 3.0064 3.3133 3.3133 3.3948 3.3948 3.6066 3.6066 4.7382 4.7382 6.0749 6.0749 7.5409 7.5409 8.1327 8.1327 9.8186 9.8186 11.7367 11.7367 k =-0.0618 0.1374 1.1916 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1622 -46.1622 -42.3856 -42.3856 -42.1192 -42.1192 -18.2345 -18.2345 -18.2220 -18.2220 -18.0670 -18.0670 -18.0495 -18.0495 -18.0412 -18.0412 -18.0359 -18.0359 0.2126 0.2126 2.9813 2.9813 3.3193 3.3193 3.4017 3.4017 3.6139 3.6139 4.7209 4.7209 6.0260 6.0260 7.5523 7.5523 8.1567 8.1567 9.8233 9.8233 11.7037 11.7037 k =-0.0674 0.1499 1.1780 ( 4594 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1622 -46.1622 -42.3856 -42.3856 -42.1191 -42.1191 -18.2343 -18.2343 -18.2219 -18.2219 -18.0669 -18.0669 -18.0493 -18.0493 -18.0412 -18.0412 -18.0357 -18.0357 0.2104 0.2104 2.9556 2.9556 3.3257 3.3257 3.4084 3.4084 3.6219 3.6219 4.7005 4.7005 5.9735 5.9735 7.5492 7.5492 8.2024 8.2024 9.8289 9.8289 11.6593 11.6593 k =-0.0730 0.1624 1.1643 ( 4591 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1622 -46.1622 -42.3856 -42.3856 -42.1190 -42.1190 -18.2341 -18.2341 -18.2218 -18.2218 -18.0667 -18.0667 -18.0491 -18.0491 -18.0411 -18.0411 -18.0355 -18.0355 0.2076 0.2076 2.9291 2.9291 3.3325 3.3325 3.4151 3.4151 3.6308 3.6308 4.6769 4.6769 5.9194 5.9194 7.5305 7.5305 8.2697 8.2697 9.8353 9.8353 11.6070 11.6070 k =-0.0787 0.1749 1.1506 ( 4585 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1648 -46.1648 -46.1622 -46.1622 -42.3855 -42.3855 -42.1189 -42.1189 -18.2340 -18.2340 -18.2217 -18.2217 -18.0666 -18.0666 -18.0488 -18.0488 -18.0411 -18.0411 -18.0352 -18.0352 0.2043 0.2043 2.9023 2.9023 3.3395 3.3395 3.4216 3.4216 3.6405 3.6405 4.6499 4.6499 5.8655 5.8655 7.4982 7.4982 8.3553 8.3553 9.8422 9.8422 11.5490 11.5490 k =-0.0843 0.1874 1.1369 ( 4581 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1648 -46.1648 -46.1623 -46.1623 -42.3855 -42.3855 -42.1188 -42.1188 -18.2338 -18.2338 -18.2216 -18.2216 -18.0665 -18.0665 -18.0485 -18.0485 -18.0410 -18.0410 -18.0349 -18.0349 0.2005 0.2005 2.8750 2.8750 3.3465 3.3465 3.4283 3.4283 3.6509 3.6509 4.6196 4.6196 5.8130 5.8130 7.4556 7.4556 8.4553 8.4553 9.8494 9.8494 11.4869 11.4869 k =-0.0899 0.1999 1.1232 ( 4576 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1648 -46.1648 -46.1623 -46.1623 -42.3855 -42.3855 -42.1186 -42.1186 -18.2336 -18.2336 -18.2215 -18.2215 -18.0663 -18.0663 -18.0483 -18.0483 -18.0409 -18.0409 -18.0345 -18.0345 0.1962 0.1962 2.8475 2.8475 3.3534 3.3534 3.4351 3.4351 3.6620 3.6620 4.5861 4.5861 5.7627 5.7627 7.4053 7.4053 8.5662 8.5662 9.8567 9.8567 11.4224 11.4224 k =-0.0955 0.2124 1.1095 ( 4574 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1648 -46.1648 -46.1623 -46.1623 -42.3854 -42.3854 -42.1185 -42.1185 -18.2334 -18.2334 -18.2213 -18.2213 -18.0662 -18.0662 -18.0481 -18.0481 -18.0407 -18.0407 -18.0342 -18.0342 0.1914 0.1914 2.8198 2.8198 3.3599 3.3599 3.4424 3.4424 3.6737 3.6737 4.5495 4.5495 5.7154 5.7154 7.3497 7.3497 8.6855 8.6855 9.8639 9.8639 11.3566 11.3566 k =-0.1011 0.2249 1.0958 ( 4571 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1648 -46.1648 -46.1624 -46.1624 -42.3854 -42.3854 -42.1184 -42.1184 -18.2332 -18.2332 -18.2212 -18.2212 -18.0661 -18.0661 -18.0478 -18.0478 -18.0406 -18.0406 -18.0338 -18.0338 0.1862 0.1862 2.7920 2.7920 3.3657 3.3657 3.4504 3.4504 3.6860 3.6860 4.5101 4.5101 5.6713 5.6713 7.2902 7.2902 8.8115 8.8115 9.8707 9.8707 11.2903 11.2903 k =-0.1067 0.2374 1.0821 ( 4573 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1649 -46.1649 -46.1624 -46.1624 -42.3854 -42.3854 -42.1182 -42.1182 -18.2330 -18.2330 -18.2210 -18.2210 -18.0660 -18.0660 -18.0476 -18.0476 -18.0404 -18.0404 -18.0334 -18.0334 0.1806 0.1806 2.7642 2.7642 3.3708 3.3708 3.4591 3.4591 3.6988 3.6988 4.4682 4.4682 5.6306 5.6306 7.2280 7.2280 8.9427 8.9427 9.8771 9.8771 11.2245 11.2245 k =-0.1124 0.2498 1.0684 ( 4571 PWs) bands (ev): -77.8776 -77.8776 -46.7246 -46.7246 -46.1649 -46.1649 -46.1625 -46.1625 -42.3853 -42.3853 -42.1181 -42.1181 -18.2328 -18.2328 -18.2209 -18.2209 -18.0658 -18.0658 -18.0474 -18.0474 -18.0401 -18.0401 -18.0329 -18.0329 0.1747 0.1747 2.7366 2.7366 3.3749 3.3749 3.4688 3.4688 3.7121 3.7121 4.4243 4.4243 5.5934 5.5934 7.1640 7.1640 9.0780 9.0780 9.8827 9.8827 11.1597 11.1597 k =-0.1180 0.2623 1.0547 ( 4569 PWs) bands (ev): -77.8776 -77.8776 -46.7246 -46.7246 -46.1649 -46.1649 -46.1625 -46.1625 -42.3853 -42.3853 -42.1179 -42.1179 -18.2326 -18.2326 -18.2207 -18.2207 -18.0657 -18.0657 -18.0473 -18.0473 -18.0398 -18.0398 -18.0325 -18.0325 0.1684 0.1684 2.7091 2.7091 3.3781 3.3781 3.4792 3.4792 3.7257 3.7257 4.3787 4.3787 5.5595 5.5595 7.0988 7.0988 9.2164 9.2164 9.8876 9.8876 11.0965 11.0965 k =-0.1236 0.2748 1.0410 ( 4561 PWs) bands (ev): -77.8776 -77.8776 -46.7245 -46.7245 -46.1649 -46.1649 -46.1625 -46.1625 -42.3852 -42.3852 -42.1178 -42.1178 -18.2324 -18.2324 -18.2205 -18.2205 -18.0656 -18.0656 -18.0471 -18.0471 -18.0394 -18.0394 -18.0320 -18.0320 0.1619 0.1619 2.6819 2.6819 3.3803 3.3803 3.4903 3.4903 3.7398 3.7398 4.3322 4.3322 5.5288 5.5288 7.0329 7.0329 9.3572 9.3572 9.8916 9.8916 11.0357 11.0357 k =-0.1292 0.2873 1.0273 ( 4564 PWs) bands (ev): -77.8777 -77.8777 -46.7245 -46.7245 -46.1650 -46.1650 -46.1626 -46.1626 -42.3852 -42.3852 -42.1176 -42.1176 -18.2322 -18.2322 -18.2204 -18.2204 -18.0655 -18.0655 -18.0471 -18.0471 -18.0390 -18.0390 -18.0315 -18.0315 0.1551 0.1551 2.6550 2.6550 3.3817 3.3817 3.5019 3.5019 3.7541 3.7541 4.2850 4.2850 5.5009 5.5009 6.9667 6.9667 9.4991 9.4991 9.8949 9.8949 10.9778 10.9778 k =-0.1348 0.2998 1.0136 ( 4563 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1650 -46.1650 -46.1626 -46.1626 -42.3851 -42.3851 -42.1175 -42.1175 -18.2320 -18.2320 -18.2202 -18.2202 -18.0654 -18.0654 -18.0471 -18.0471 -18.0385 -18.0385 -18.0310 -18.0310 0.1480 0.1480 2.6286 2.6286 3.3824 3.3824 3.5136 3.5136 3.7687 3.7687 4.2380 4.2380 5.4756 5.4756 6.9006 6.9006 9.6404 9.6404 9.8979 9.8979 10.9239 10.9239 k =-0.1405 0.3123 0.9999 ( 4561 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1650 -46.1650 -46.1627 -46.1627 -42.3851 -42.3851 -42.1173 -42.1173 -18.2318 -18.2318 -18.2201 -18.2201 -18.0652 -18.0652 -18.0470 -18.0470 -18.0380 -18.0380 -18.0304 -18.0304 0.1409 0.1409 2.6026 2.6026 3.3825 3.3825 3.5252 3.5252 3.7837 3.7837 4.1918 4.1918 5.4527 5.4527 6.8349 6.8349 9.7764 9.7764 9.9042 9.9042 10.8752 10.8752 k =-0.1461 0.3248 0.9862 ( 4561 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1650 -46.1650 -46.1627 -46.1627 -42.3850 -42.3850 -42.1171 -42.1171 -18.2316 -18.2316 -18.2199 -18.2199 -18.0651 -18.0651 -18.0471 -18.0471 -18.0374 -18.0374 -18.0299 -18.0299 0.1336 0.1336 2.5771 2.5771 3.3820 3.3820 3.5362 3.5362 3.7989 3.7989 4.1468 4.1468 5.4319 5.4319 6.7698 6.7698 9.8682 9.8682 9.9498 9.9498 10.8340 10.8340 k =-0.1517 0.3373 0.9725 ( 4559 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1650 -46.1650 -46.1628 -46.1628 -42.3850 -42.3850 -42.1170 -42.1170 -18.2314 -18.2314 -18.2197 -18.2197 -18.0650 -18.0650 -18.0471 -18.0471 -18.0368 -18.0368 -18.0294 -18.0294 0.1262 0.1262 2.5523 2.5523 3.3811 3.3811 3.5461 3.5461 3.8143 3.8143 4.1040 4.1040 5.4129 5.4129 6.7057 6.7057 9.8812 9.8812 10.0651 10.0651 10.8047 10.8047 k =-0.1573 0.3498 0.9588 ( 4561 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1651 -46.1651 -46.1628 -46.1628 -42.3850 -42.3850 -42.1168 -42.1168 -18.2312 -18.2312 -18.2196 -18.2196 -18.0649 -18.0649 -18.0472 -18.0472 -18.0362 -18.0362 -18.0288 -18.0288 0.1188 0.1188 2.5281 2.5281 3.3798 3.3798 3.5544 3.5544 3.8299 3.8299 4.0639 4.0639 5.3955 5.3955 6.6426 6.6426 9.8808 9.8808 10.1773 10.1773 10.7945 10.7945 k =-0.1629 0.3623 0.9451 ( 4561 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1651 -46.1651 -46.1629 -46.1629 -42.3849 -42.3849 -42.1166 -42.1166 -18.2310 -18.2310 -18.2195 -18.2195 -18.0648 -18.0648 -18.0472 -18.0472 -18.0356 -18.0356 -18.0283 -18.0283 0.1113 0.1113 2.5047 2.5047 3.3783 3.3783 3.5604 3.5604 3.8457 3.8457 4.0275 4.0275 5.3795 5.3795 6.5808 6.5808 9.8775 9.8775 10.2639 10.2639 10.8153 10.8153 k =-0.1685 0.3748 0.9314 ( 4561 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1651 -46.1651 -46.1629 -46.1629 -42.3849 -42.3849 -42.1165 -42.1165 -18.2309 -18.2309 -18.2193 -18.2193 -18.0647 -18.0647 -18.0473 -18.0473 -18.0350 -18.0350 -18.0277 -18.0277 0.1040 0.1040 2.4821 2.4821 3.3765 3.3765 3.5633 3.5633 3.8615 3.8615 3.9957 3.9957 5.3646 5.3646 6.5204 6.5204 9.8726 9.8726 10.3135 10.3135 10.8768 10.8768 k =-0.1742 0.3873 0.9177 ( 4563 PWs) bands (ev): -77.8777 -77.8777 -46.7241 -46.7241 -46.1652 -46.1652 -46.1629 -46.1629 -42.3849 -42.3849 -42.1163 -42.1163 -18.2307 -18.2307 -18.2192 -18.2192 -18.0647 -18.0647 -18.0474 -18.0474 -18.0344 -18.0344 -18.0272 -18.0272 0.0967 0.0967 2.4603 2.4603 3.3746 3.3746 3.5626 3.5626 3.8770 3.8770 3.9695 3.9695 5.3508 5.3508 6.4618 6.4618 9.8667 9.8667 10.3286 10.3286 10.9760 10.9760 k =-0.1798 0.3997 0.9040 ( 4561 PWs) bands (ev): -77.8777 -77.8777 -46.7241 -46.7241 -46.1652 -46.1652 -46.1630 -46.1630 -42.3848 -42.3848 -42.1162 -42.1162 -18.2306 -18.2306 -18.2190 -18.2190 -18.0646 -18.0646 -18.0475 -18.0475 -18.0337 -18.0337 -18.0267 -18.0267 0.0895 0.0895 2.4394 2.4394 3.3725 3.3725 3.5577 3.5577 3.8913 3.8913 3.9504 3.9504 5.3379 5.3379 6.4050 6.4050 9.8599 9.8599 10.3213 10.3213 11.1005 11.1005 k =-0.1854 0.4122 0.8903 ( 4553 PWs) bands (ev): -77.8778 -77.8778 -46.7240 -46.7240 -46.1652 -46.1652 -46.1630 -46.1630 -42.3848 -42.3848 -42.1160 -42.1160 -18.2304 -18.2304 -18.2189 -18.2189 -18.0645 -18.0645 -18.0476 -18.0476 -18.0331 -18.0331 -18.0261 -18.0261 0.0825 0.0825 2.4194 2.4194 3.3704 3.3704 3.5486 3.5486 3.9015 3.9015 3.9415 3.9415 5.3257 5.3257 6.3502 6.3502 9.8526 9.8526 10.3020 10.3020 11.2392 11.2392 k =-0.1910 0.4247 0.8766 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7240 -46.7240 -46.1652 -46.1652 -46.1631 -46.1631 -42.3847 -42.3847 -42.1158 -42.1158 -18.2302 -18.2302 -18.2187 -18.2187 -18.0644 -18.0644 -18.0477 -18.0477 -18.0325 -18.0325 -18.0255 -18.0255 0.0757 0.0757 2.4004 2.4004 3.3682 3.3682 3.5354 3.5354 3.9037 3.9037 3.9461 3.9461 5.3142 5.3142 6.2975 6.2975 9.8448 9.8448 10.2771 10.2771 11.3854 11.3854 k =-0.1966 0.4372 0.8629 ( 4548 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1652 -46.1652 -46.1631 -46.1631 -42.3847 -42.3847 -42.1157 -42.1157 -18.2301 -18.2301 -18.2186 -18.2186 -18.0643 -18.0643 -18.0478 -18.0478 -18.0319 -18.0319 -18.0250 -18.0250 0.0691 0.0691 2.3824 2.3824 3.3660 3.3660 3.5191 3.5191 3.9021 3.9021 3.9594 3.9594 5.3032 5.3032 6.2473 6.2473 9.8367 9.8367 10.2499 10.2499 11.5352 11.5352 k =-0.2022 0.4497 0.8492 ( 4553 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1653 -46.1653 -46.1631 -46.1631 -42.3847 -42.3847 -42.1156 -42.1156 -18.2300 -18.2300 -18.2185 -18.2185 -18.0643 -18.0643 -18.0479 -18.0479 -18.0313 -18.0313 -18.0246 -18.0246 0.0628 0.0628 2.3655 2.3655 3.3638 3.3638 3.5004 3.5004 3.9014 3.9014 3.9757 3.9757 5.2927 5.2927 6.1996 6.1996 9.8285 9.8285 10.2223 10.2223 11.6861 11.6861 k =-0.2079 0.4622 0.8355 ( 4547 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1653 -46.1653 -46.1632 -46.1632 -42.3846 -42.3846 -42.1154 -42.1154 -18.2298 -18.2298 -18.2184 -18.2184 -18.0642 -18.0642 -18.0480 -18.0480 -18.0307 -18.0307 -18.0241 -18.0241 0.0569 0.0569 2.3497 2.3497 3.3617 3.3617 3.4804 3.4804 3.9025 3.9025 3.9929 3.9929 5.2827 5.2827 6.1546 6.1546 9.8203 9.8203 10.1952 10.1952 11.8363 11.8363 k =-0.2135 0.4747 0.8218 ( 4549 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1653 -46.1653 -46.1632 -46.1632 -42.3846 -42.3846 -42.1153 -42.1153 -18.2297 -18.2297 -18.2183 -18.2183 -18.0642 -18.0642 -18.0480 -18.0480 -18.0302 -18.0302 -18.0237 -18.0237 0.0512 0.0512 2.3351 2.3351 3.3596 3.3596 3.4599 3.4599 3.9050 3.9050 4.0104 4.0104 5.2730 5.2730 6.1124 6.1124 9.8123 9.8123 10.1693 10.1693 11.9844 11.9844 k =-0.2191 0.4872 0.8081 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1653 -46.1653 -46.1632 -46.1632 -42.3846 -42.3846 -42.1152 -42.1152 -18.2296 -18.2296 -18.2183 -18.2183 -18.0641 -18.0641 -18.0481 -18.0481 -18.0298 -18.0298 -18.0233 -18.0233 0.0460 0.0460 2.3216 2.3216 3.3575 3.3575 3.4397 3.4397 3.9086 3.9086 4.0278 4.0278 5.2638 5.2638 6.0734 6.0734 9.8045 9.8045 10.1450 10.1450 12.1288 12.1288 k =-0.2247 0.4997 0.7944 ( 4558 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1654 -46.1654 -46.1633 -46.1633 -42.3846 -42.3846 -42.1151 -42.1151 -18.2296 -18.2296 -18.2182 -18.2182 -18.0641 -18.0641 -18.0482 -18.0482 -18.0293 -18.0293 -18.0229 -18.0229 0.0411 0.0411 2.3093 2.3093 3.3556 3.3556 3.4203 3.4203 3.9126 3.9126 4.0447 4.0447 5.2550 5.2550 6.0376 6.0376 9.7971 9.7971 10.1226 10.1226 12.2681 12.2681 k =-0.2303 0.5122 0.7807 ( 4558 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1654 -46.1654 -46.1633 -46.1633 -42.3845 -42.3845 -42.1150 -42.1150 -18.2295 -18.2295 -18.2181 -18.2181 -18.0641 -18.0641 -18.0483 -18.0483 -18.0289 -18.0289 -18.0226 -18.0226 0.0367 0.0367 2.2983 2.2983 3.3537 3.3537 3.4023 3.4023 3.9170 3.9170 4.0608 4.0608 5.2467 5.2467 6.0051 6.0051 9.7902 9.7902 10.1022 10.1022 12.4007 12.4007 k =-0.2360 0.5247 0.7670 ( 4558 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1654 -46.1654 -46.1633 -46.1633 -42.3845 -42.3845 -42.1149 -42.1149 -18.2294 -18.2294 -18.2181 -18.2181 -18.0640 -18.0640 -18.0484 -18.0484 -18.0286 -18.0286 -18.0222 -18.0222 0.0328 0.0328 2.2884 2.2884 3.3518 3.3518 3.3860 3.3860 3.9212 3.9212 4.0760 4.0760 5.2389 5.2389 5.9761 5.9761 9.7839 9.7839 10.0840 10.0840 12.5247 12.5247 k =-0.2416 0.5372 0.7533 ( 4558 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1654 -46.1654 -46.1633 -46.1633 -42.3845 -42.3845 -42.1149 -42.1149 -18.2294 -18.2294 -18.2180 -18.2180 -18.0640 -18.0640 -18.0484 -18.0484 -18.0283 -18.0283 -18.0220 -18.0220 0.0293 0.0293 2.2799 2.2799 3.3496 3.3496 3.3720 3.3720 3.9252 3.9252 4.0898 4.0898 5.2318 5.2318 5.9508 5.9508 9.7783 9.7783 10.0681 10.0681 12.6383 12.6383 k =-0.2472 0.5496 0.7396 ( 4556 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1654 -46.1654 -46.1633 -46.1633 -42.3845 -42.3845 -42.1148 -42.1148 -18.2293 -18.2293 -18.2179 -18.2179 -18.0640 -18.0640 -18.0484 -18.0484 -18.0280 -18.0280 -18.0217 -18.0217 0.0264 0.0264 2.2726 2.2726 3.3464 3.3464 3.3612 3.3612 3.9287 3.9287 4.1021 4.1021 5.2255 5.2255 5.9292 5.9292 9.7734 9.7734 10.0546 10.0546 12.7394 12.7394 k =-0.2528 0.5621 0.7259 ( 4561 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1654 -46.1654 -46.1634 -46.1634 -42.3845 -42.3845 -42.1148 -42.1148 -18.2293 -18.2293 -18.2179 -18.2179 -18.0640 -18.0640 -18.0485 -18.0485 -18.0278 -18.0278 -18.0215 -18.0215 0.0239 0.0239 2.2667 2.2667 3.3412 3.3412 3.3549 3.3549 3.9318 3.9318 4.1126 4.1126 5.2200 5.2200 5.9115 5.9115 9.7693 9.7693 10.0435 10.0435 12.8258 12.8258 k =-0.2584 0.5746 0.7123 ( 4559 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1654 -46.1654 -46.1634 -46.1634 -42.3845 -42.3845 -42.1147 -42.1147 -18.2292 -18.2292 -18.2179 -18.2179 -18.0640 -18.0640 -18.0485 -18.0485 -18.0276 -18.0276 -18.0214 -18.0214 0.0220 0.0220 2.2620 2.2620 3.3348 3.3348 3.3521 3.3521 3.9342 3.9342 4.1210 4.1210 5.2156 5.2156 5.8976 5.8976 9.7660 9.7660 10.0348 10.0348 12.8955 12.8955 k =-0.2640 0.5871 0.6986 ( 4561 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1654 -46.1654 -46.1634 -46.1634 -42.3845 -42.3845 -42.1147 -42.1147 -18.2292 -18.2292 -18.2179 -18.2179 -18.0640 -18.0640 -18.0486 -18.0486 -18.0275 -18.0275 -18.0213 -18.0213 0.0206 0.0206 2.2587 2.2587 3.3296 3.3296 3.3507 3.3507 3.9360 3.9360 4.1271 4.1271 5.2124 5.2124 5.8877 5.8877 9.7637 9.7637 10.0285 10.0285 12.9468 12.9468 k =-0.2697 0.5996 0.6849 ( 4547 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1634 -46.1634 -42.3844 -42.3844 -42.1146 -42.1146 -18.2292 -18.2292 -18.2178 -18.2178 -18.0639 -18.0639 -18.0485 -18.0485 -18.0273 -18.0273 -18.0212 -18.0212 0.0198 0.0198 2.2567 2.2567 3.3263 3.3263 3.3501 3.3501 3.9371 3.9371 4.1309 4.1309 5.2104 5.2104 5.8817 5.8817 9.7623 9.7623 10.0248 10.0248 12.9781 12.9781 k =-0.2753 0.6121 0.6712 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1634 -46.1634 -42.3844 -42.3844 -42.1147 -42.1147 -18.2292 -18.2292 -18.2178 -18.2178 -18.0639 -18.0639 -18.0485 -18.0485 -18.0273 -18.0273 -18.0212 -18.0212 0.0195 0.0195 2.2560 2.2560 3.3252 3.3252 3.3499 3.3499 3.9375 3.9375 4.1321 4.1321 5.2097 5.2097 5.8797 5.8797 9.7618 9.7618 10.0235 10.0235 12.9887 12.9887 k =-0.2753 0.6121 0.6712 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1634 -46.1634 -42.3844 -42.3844 -42.1147 -42.1147 -18.2292 -18.2292 -18.2178 -18.2178 -18.0639 -18.0639 -18.0485 -18.0485 -18.0273 -18.0273 -18.0212 -18.0212 0.0195 0.0195 2.2560 2.2560 3.3252 3.3252 3.3499 3.3499 3.9375 3.9375 4.1321 4.1321 5.2097 5.2097 5.8797 5.8797 9.7618 9.7618 10.0235 10.0235 12.9887 12.9887 k =-0.2697 0.5996 0.6575 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1655 -46.1655 -46.1633 -46.1633 -42.3844 -42.3844 -42.1147 -42.1147 -18.2296 -18.2296 -18.2176 -18.2176 -18.0644 -18.0644 -18.0484 -18.0484 -18.0272 -18.0272 -18.0212 -18.0212 0.0114 0.0114 2.3076 2.3076 3.3253 3.3253 3.3379 3.3379 3.9377 3.9377 4.1296 4.1296 5.2978 5.2978 5.7902 5.7902 9.7356 9.7356 9.8945 9.8945 13.0611 13.0611 k =-0.2640 0.5871 0.6438 ( 4553 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1655 -46.1655 -46.1633 -46.1633 -42.3845 -42.3845 -42.1147 -42.1147 -18.2299 -18.2299 -18.2175 -18.2175 -18.0648 -18.0648 -18.0483 -18.0483 -18.0272 -18.0272 -18.0213 -18.0213 0.0018 0.0018 2.3584 2.3584 3.3184 3.3184 3.3323 3.3323 3.9377 3.9377 4.1275 4.1275 5.3544 5.3544 5.7390 5.7390 9.7116 9.7116 9.7696 9.7696 13.1360 13.1360 k =-0.2584 0.5746 0.6301 ( 4549 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1655 -46.1655 -46.1632 -46.1632 -42.3845 -42.3845 -42.1147 -42.1147 -18.2303 -18.2303 -18.2172 -18.2172 -18.0651 -18.0651 -18.0481 -18.0481 -18.0271 -18.0271 -18.0213 -18.0213 -0.0091 -0.0091 2.4081 2.4081 3.3071 3.3071 3.3308 3.3308 3.9376 3.9376 4.1258 4.1258 5.3492 5.3492 5.7565 5.7565 9.6413 9.6413 9.6977 9.6977 13.2132 13.2132 k =-0.2528 0.5621 0.6164 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2306 -18.2306 -18.2170 -18.2170 -18.0654 -18.0654 -18.0479 -18.0479 -18.0271 -18.0271 -18.0212 -18.0212 -0.0214 -0.0214 2.4563 2.4563 3.2956 3.2956 3.3290 3.3290 3.9373 3.9373 4.1245 4.1245 5.2899 5.2899 5.8347 5.8347 9.5227 9.5227 9.6812 9.6812 13.2925 13.2925 k =-0.2472 0.5496 0.6027 ( 4543 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1147 -42.1147 -18.2309 -18.2309 -18.2167 -18.2167 -18.0657 -18.0657 -18.0475 -18.0475 -18.0270 -18.0270 -18.0212 -18.0212 -0.0351 -0.0351 2.5029 2.5029 3.2850 3.2850 3.3264 3.3264 3.9369 3.9369 4.1238 4.1238 5.2075 5.2075 5.9427 5.9427 9.4059 9.4059 9.6700 9.6700 13.3739 13.3739 k =-0.2416 0.5372 0.5890 ( 4549 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1657 -46.1657 -46.1630 -46.1630 -42.3845 -42.3845 -42.1147 -42.1147 -18.2312 -18.2312 -18.2164 -18.2164 -18.0661 -18.0661 -18.0472 -18.0472 -18.0270 -18.0270 -18.0211 -18.0211 -0.0502 -0.0502 2.5474 2.5474 3.2755 3.2755 3.3228 3.3228 3.9363 3.9363 4.1234 4.1234 5.1179 5.1179 6.0647 6.0647 9.2920 9.2920 9.6634 9.6634 13.4572 13.4572 k =-0.2360 0.5247 0.5753 ( 4555 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1658 -46.1658 -46.1630 -46.1630 -42.3845 -42.3845 -42.1147 -42.1147 -18.2315 -18.2315 -18.2161 -18.2161 -18.0664 -18.0664 -18.0469 -18.0469 -18.0270 -18.0270 -18.0211 -18.0211 -0.0666 -0.0666 2.5895 2.5895 3.2674 3.2674 3.3181 3.3181 3.9355 3.9355 4.1235 4.1235 5.0268 5.0268 6.1948 6.1948 9.1814 9.1814 9.6613 9.6613 13.5423 13.5423 k =-0.2303 0.5122 0.5616 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1658 -46.1658 -46.1630 -46.1630 -42.3844 -42.3844 -42.1147 -42.1147 -18.2318 -18.2318 -18.2156 -18.2156 -18.0666 -18.0666 -18.0464 -18.0464 -18.0270 -18.0270 -18.0210 -18.0210 -0.0843 -0.0843 2.6288 2.6288 3.2610 3.2610 3.3125 3.3125 3.9346 3.9346 4.1239 4.1239 4.9370 4.9370 6.3305 6.3305 9.0739 9.0739 9.6640 9.6640 13.6289 13.6289 k =-0.2247 0.4997 0.5479 ( 4565 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1659 -46.1659 -46.1629 -46.1629 -42.3845 -42.3845 -42.1147 -42.1147 -18.2321 -18.2321 -18.2153 -18.2153 -18.0668 -18.0668 -18.0461 -18.0461 -18.0270 -18.0270 -18.0209 -18.0209 -0.1032 -0.1032 2.6647 2.6647 3.2563 3.2563 3.3061 3.3061 3.9334 3.9334 4.1245 4.1245 4.8495 4.8495 6.4708 6.4708 8.9697 8.9697 9.6714 9.6714 13.7168 13.7168 k =-0.2191 0.4872 0.5342 ( 4565 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1660 -46.1660 -46.1629 -46.1629 -42.3845 -42.3845 -42.1146 -42.1146 -18.2323 -18.2323 -18.2148 -18.2148 -18.0670 -18.0670 -18.0455 -18.0455 -18.0270 -18.0270 -18.0208 -18.0208 -0.1233 -0.1233 2.6968 2.6968 3.2534 3.2534 3.2994 3.2994 3.9321 3.9321 4.1254 4.1254 4.7653 4.7653 6.6149 6.6149 8.8687 8.8687 9.6838 9.6838 13.8058 13.8058 k =-0.2135 0.4747 0.5205 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1660 -46.1660 -46.1628 -46.1628 -42.3844 -42.3844 -42.1145 -42.1145 -18.2325 -18.2325 -18.2143 -18.2143 -18.0672 -18.0672 -18.0449 -18.0449 -18.0270 -18.0270 -18.0207 -18.0207 -0.1445 -0.1445 2.7246 2.7246 3.2515 3.2515 3.2933 3.2933 3.9305 3.9305 4.1262 4.1262 4.6848 4.6848 6.7625 6.7625 8.7710 8.7710 9.7014 9.7014 13.8955 13.8955 k =-0.2079 0.4622 0.5068 ( 4549 PWs) bands (ev): -77.8778 -77.8778 -46.7235 -46.7235 -46.1661 -46.1661 -46.1628 -46.1628 -42.3844 -42.3844 -42.1144 -42.1144 -18.2327 -18.2327 -18.2138 -18.2138 -18.0673 -18.0673 -18.0444 -18.0444 -18.0269 -18.0269 -18.0205 -18.0205 -0.1668 -0.1668 2.7478 2.7478 3.2486 3.2486 3.2902 3.2902 3.9286 3.9286 4.1268 4.1268 4.6086 4.6086 6.9132 6.9132 8.6765 8.6765 9.7241 9.7241 13.9855 13.9855 k =-0.2022 0.4497 0.4931 ( 4549 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1662 -46.1662 -46.1628 -46.1628 -42.3844 -42.3844 -42.1144 -42.1144 -18.2329 -18.2329 -18.2133 -18.2133 -18.0674 -18.0674 -18.0438 -18.0438 -18.0269 -18.0269 -18.0204 -18.0204 -0.1901 -0.1901 2.7662 2.7662 3.2421 3.2421 3.2926 3.2926 3.9264 3.9264 4.1267 4.1267 4.5375 4.5375 7.0670 7.0670 8.5854 8.5854 9.7521 9.7521 14.0753 14.0753 k =-0.1966 0.4372 0.4794 ( 4553 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1662 -46.1662 -46.1628 -46.1628 -42.3843 -42.3843 -42.1143 -42.1143 -18.2331 -18.2331 -18.2127 -18.2127 -18.0675 -18.0675 -18.0432 -18.0432 -18.0269 -18.0269 -18.0203 -18.0203 -0.2144 -0.2144 2.7799 2.7799 3.2313 3.2313 3.3012 3.3012 3.9236 3.9236 4.1252 4.1252 4.4722 4.4722 7.2236 7.2236 8.4976 8.4976 9.7855 9.7855 14.1643 14.1643 k =-0.1910 0.4247 0.4657 ( 4557 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1663 -46.1663 -46.1627 -46.1627 -42.3843 -42.3843 -42.1142 -42.1142 -18.2332 -18.2332 -18.2122 -18.2122 -18.0676 -18.0676 -18.0425 -18.0425 -18.0269 -18.0269 -18.0202 -18.0202 -0.2394 -0.2394 2.7889 2.7889 3.2171 3.2171 3.3146 3.3146 3.9203 3.9203 4.1215 4.1215 4.4141 4.4141 7.3827 7.3827 8.4131 8.4131 9.8243 9.8243 14.2518 14.2518 k =-0.1854 0.4122 0.4520 ( 4569 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1664 -46.1664 -46.1627 -46.1627 -42.3843 -42.3843 -42.1141 -42.1141 -18.2335 -18.2335 -18.2116 -18.2116 -18.0677 -18.0677 -18.0418 -18.0418 -18.0269 -18.0269 -18.0200 -18.0200 -0.2652 -0.2652 2.7938 2.7938 3.2005 3.2005 3.3314 3.3314 3.9161 3.9161 4.1142 4.1142 4.3648 4.3648 7.5442 7.5442 8.3323 8.3323 9.8686 9.8686 14.3369 14.3369 k =-0.1798 0.3997 0.4383 ( 4573 PWs) bands (ev): -77.8779 -77.8779 -46.7234 -46.7234 -46.1665 -46.1665 -46.1627 -46.1627 -42.3843 -42.3843 -42.1140 -42.1140 -18.2336 -18.2336 -18.2110 -18.2110 -18.0678 -18.0678 -18.0411 -18.0411 -18.0268 -18.0268 -18.0199 -18.0199 -0.2917 -0.2917 2.7951 2.7951 3.1819 3.1819 3.3508 3.3508 3.9107 3.9107 4.1020 4.1020 4.3260 4.3260 7.7073 7.7073 8.2556 8.2556 9.9184 9.9184 14.4137 14.4137 k =-0.1742 0.3873 0.4246 ( 4573 PWs) bands (ev): -77.8779 -77.8779 -46.7234 -46.7234 -46.1666 -46.1666 -46.1627 -46.1627 -42.3843 -42.3843 -42.1139 -42.1139 -18.2338 -18.2338 -18.2104 -18.2104 -18.0678 -18.0678 -18.0404 -18.0404 -18.0267 -18.0267 -18.0198 -18.0198 -0.3188 -0.3188 2.7932 2.7932 3.1613 3.1613 3.3718 3.3718 3.9037 3.9037 4.0843 4.0843 4.2989 4.2989 7.8696 7.8696 8.1853 8.1853 9.9736 9.9736 14.3615 14.3615 k =-0.1685 0.3748 0.4109 ( 4575 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1667 -46.1667 -46.1627 -46.1627 -42.3842 -42.3842 -42.1138 -42.1138 -18.2339 -18.2339 -18.2098 -18.2098 -18.0678 -18.0678 -18.0397 -18.0397 -18.0266 -18.0266 -18.0196 -18.0196 -0.3463 -0.3463 2.7888 2.7888 3.1391 3.1391 3.3938 3.3938 3.8943 3.8943 4.0626 4.0626 4.2825 4.2825 8.0103 8.0103 8.1421 8.1421 10.0343 10.0343 14.3037 14.3037 k =-0.1629 0.3623 0.3972 ( 4579 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1667 -46.1667 -46.1627 -46.1627 -42.3842 -42.3842 -42.1136 -42.1136 -18.2340 -18.2340 -18.2092 -18.2092 -18.0678 -18.0678 -18.0389 -18.0389 -18.0264 -18.0264 -18.0195 -18.0195 -0.3741 -0.3741 2.7823 2.7823 3.1152 3.1152 3.4161 3.4161 3.8819 3.8819 4.0402 4.0402 4.2747 4.2747 8.0125 8.0125 8.2428 8.2428 10.1004 10.1004 14.2465 14.2465 k =-0.1573 0.3498 0.3835 ( 4579 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1668 -46.1668 -46.1627 -46.1627 -42.3842 -42.3842 -42.1135 -42.1135 -18.2341 -18.2341 -18.2085 -18.2085 -18.0678 -18.0678 -18.0381 -18.0381 -18.0262 -18.0262 -18.0194 -18.0194 -0.4023 -0.4023 2.7741 2.7741 3.0898 3.0898 3.4383 3.4383 3.8661 3.8661 4.0199 4.0199 4.2726 4.2726 7.9550 7.9550 8.4085 8.4085 10.1718 10.1718 14.1902 14.1902 k =-0.1517 0.3373 0.3698 ( 4581 PWs) bands (ev): -77.8779 -77.8779 -46.7232 -46.7232 -46.1669 -46.1669 -46.1626 -46.1626 -42.3841 -42.3841 -42.1134 -42.1134 -18.2342 -18.2342 -18.2079 -18.2079 -18.0678 -18.0678 -18.0374 -18.0374 -18.0261 -18.0261 -18.0192 -18.0192 -0.4306 -0.4306 2.7647 2.7647 3.0631 3.0631 3.4597 3.4597 3.8471 3.8471 4.0035 4.0035 4.2745 4.2745 7.8941 7.8941 8.5828 8.5828 10.2486 10.2486 14.1350 14.1350 k =-0.1461 0.3248 0.3561 ( 4577 PWs) bands (ev): -77.8779 -77.8779 -46.7231 -46.7231 -46.1670 -46.1670 -46.1626 -46.1626 -42.3841 -42.3841 -42.1132 -42.1132 -18.2343 -18.2343 -18.2073 -18.2073 -18.0677 -18.0677 -18.0365 -18.0365 -18.0258 -18.0258 -18.0191 -18.0191 -0.4589 -0.4589 2.7542 2.7542 3.0352 3.0352 3.4800 3.4800 3.8261 3.8261 3.9912 3.9912 4.2790 4.2790 7.8346 7.8346 8.7609 8.7609 10.3305 10.3305 14.0810 14.0810 k =-0.1404 0.3123 0.3424 ( 4571 PWs) bands (ev): -77.8779 -77.8779 -46.7231 -46.7231 -46.1671 -46.1671 -46.1626 -46.1626 -42.3840 -42.3840 -42.1130 -42.1130 -18.2344 -18.2344 -18.2066 -18.2066 -18.0677 -18.0677 -18.0357 -18.0357 -18.0255 -18.0255 -18.0190 -18.0190 -0.4872 -0.4872 2.7430 2.7430 3.0064 3.0064 3.4985 3.4985 3.8048 3.8048 3.9823 3.9823 4.2853 4.2853 7.7773 7.7773 8.9417 8.9417 10.4176 10.4176 14.0284 14.0284 k =-0.1348 0.2998 0.3287 ( 4571 PWs) bands (ev): -77.8780 -77.8780 -46.7230 -46.7230 -46.1671 -46.1671 -46.1626 -46.1626 -42.3839 -42.3839 -42.1129 -42.1129 -18.2345 -18.2345 -18.2060 -18.2060 -18.0676 -18.0676 -18.0350 -18.0350 -18.0253 -18.0253 -18.0188 -18.0188 -0.5153 -0.5153 2.7312 2.7312 2.9767 2.9767 3.5147 3.5147 3.7846 3.7846 3.9759 3.9759 4.2928 4.2928 7.7224 7.7224 9.1248 9.1248 10.5096 10.5096 13.9774 13.9774 k =-0.1292 0.2873 0.3150 ( 4565 PWs) bands (ev): -77.8780 -77.8780 -46.7229 -46.7229 -46.1672 -46.1672 -46.1626 -46.1626 -42.3839 -42.3839 -42.1127 -42.1127 -18.2345 -18.2345 -18.2054 -18.2054 -18.0675 -18.0675 -18.0342 -18.0342 -18.0249 -18.0249 -18.0188 -18.0188 -0.5432 -0.5432 2.7190 2.7190 2.9465 2.9465 3.5280 3.5280 3.7669 3.7669 3.9714 3.9714 4.3013 4.3013 7.6701 7.6701 9.3100 9.3100 10.6064 10.6064 13.9280 13.9280 k =-0.1236 0.2748 0.3013 ( 4565 PWs) bands (ev): -77.8780 -77.8780 -46.7229 -46.7229 -46.1673 -46.1673 -46.1626 -46.1626 -42.3838 -42.3838 -42.1126 -42.1126 -18.2346 -18.2346 -18.2047 -18.2047 -18.0674 -18.0674 -18.0334 -18.0334 -18.0246 -18.0246 -18.0186 -18.0186 -0.5707 -0.5707 2.7065 2.7065 2.9161 2.9161 3.5376 3.5376 3.7528 3.7528 3.9682 3.9682 4.3105 4.3105 7.6204 7.6204 9.4972 9.4972 10.7079 10.7079 13.8805 13.8805 k =-0.1180 0.2623 0.2876 ( 4565 PWs) bands (ev): -77.8780 -77.8780 -46.7228 -46.7228 -46.1674 -46.1674 -46.1626 -46.1626 -42.3838 -42.3838 -42.1124 -42.1124 -18.2346 -18.2346 -18.2041 -18.2041 -18.0674 -18.0674 -18.0327 -18.0327 -18.0242 -18.0242 -18.0185 -18.0185 -0.5978 -0.5978 2.6940 2.6940 2.8855 2.8855 3.5430 3.5430 3.7432 3.7432 3.9661 3.9661 4.3201 4.3201 7.5733 7.5733 9.6863 9.6863 10.8138 10.8138 13.8351 13.8351 k =-0.1124 0.2498 0.2739 ( 4561 PWs) bands (ev): -77.8780 -77.8780 -46.7227 -46.7227 -46.1675 -46.1675 -46.1626 -46.1626 -42.3837 -42.3837 -42.1123 -42.1123 -18.2347 -18.2347 -18.2035 -18.2035 -18.0673 -18.0673 -18.0319 -18.0319 -18.0238 -18.0238 -18.0184 -18.0184 -0.6243 -0.6243 2.6815 2.6815 2.8551 2.8551 3.5439 3.5439 3.7382 3.7382 3.9648 3.9648 4.3300 4.3300 7.5287 7.5287 9.8772 9.8772 10.9239 10.9239 13.7918 13.7918 k =-0.1067 0.2373 0.2602 ( 4561 PWs) bands (ev): -77.8780 -77.8780 -46.7227 -46.7227 -46.1675 -46.1675 -46.1626 -46.1626 -42.3837 -42.3837 -42.1121 -42.1121 -18.2347 -18.2347 -18.2029 -18.2029 -18.0672 -18.0672 -18.0312 -18.0312 -18.0235 -18.0235 -18.0183 -18.0183 -0.6501 -0.6501 2.6690 2.6690 2.8250 2.8250 3.5408 3.5408 3.7375 3.7375 3.9641 3.9641 4.3402 4.3402 7.4866 7.4866 10.0696 10.0696 11.0380 11.0380 13.7510 13.7510 k =-0.1011 0.2249 0.2465 ( 4553 PWs) bands (ev): -77.8780 -77.8780 -46.7226 -46.7226 -46.1676 -46.1676 -46.1626 -46.1626 -42.3836 -42.3836 -42.1119 -42.1119 -18.2348 -18.2348 -18.2023 -18.2023 -18.0672 -18.0672 -18.0305 -18.0305 -18.0230 -18.0230 -18.0181 -18.0181 -0.6752 -0.6752 2.6568 2.6568 2.7956 2.7956 3.5346 3.5346 3.7403 3.7403 3.9640 3.9640 4.3504 4.3504 7.4469 7.4469 10.2636 10.2636 11.1558 11.1558 13.7128 13.7128 k =-0.0955 0.2124 0.2329 ( 4551 PWs) bands (ev): -77.8780 -77.8780 -46.7225 -46.7225 -46.1677 -46.1677 -46.1626 -46.1626 -42.3836 -42.3836 -42.1118 -42.1118 -18.2348 -18.2348 -18.2018 -18.2018 -18.0671 -18.0671 -18.0298 -18.0298 -18.0226 -18.0226 -18.0180 -18.0180 -0.6994 -0.6994 2.6448 2.6448 2.7669 2.7669 3.5263 3.5263 3.7453 3.7453 3.9644 3.9644 4.3606 4.3606 7.4097 7.4097 10.4589 10.4589 11.2769 11.2769 13.6774 13.6774 k =-0.0899 0.1999 0.2192 ( 4555 PWs) bands (ev): -77.8780 -77.8780 -46.7225 -46.7225 -46.1678 -46.1678 -46.1626 -46.1626 -42.3835 -42.3835 -42.1117 -42.1117 -18.2349 -18.2349 -18.2013 -18.2013 -18.0671 -18.0671 -18.0292 -18.0292 -18.0223 -18.0223 -18.0179 -18.0179 -0.7228 -0.7228 2.6331 2.6331 2.7391 2.7391 3.5166 3.5166 3.7516 3.7516 3.9652 3.9652 4.3708 4.3708 7.3748 7.3748 10.6555 10.6555 11.4010 11.4010 13.6452 13.6452 k =-0.0843 0.1874 0.2055 ( 4555 PWs) bands (ev): -77.8780 -77.8780 -46.7224 -46.7224 -46.1678 -46.1678 -46.1626 -46.1626 -42.3835 -42.3835 -42.1115 -42.1115 -18.2349 -18.2349 -18.2008 -18.2008 -18.0670 -18.0670 -18.0286 -18.0286 -18.0219 -18.0219 -18.0177 -18.0177 -0.7451 -0.7451 2.6219 2.6219 2.7123 2.7123 3.5065 3.5065 3.7586 3.7586 3.9664 3.9664 4.3807 4.3807 7.3423 7.3423 10.8531 10.8531 11.5274 11.5274 13.6166 13.6166 k =-0.0787 0.1749 0.1918 ( 4557 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1679 -46.1679 -46.1626 -46.1626 -42.3835 -42.3835 -42.1114 -42.1114 -18.2350 -18.2350 -18.2003 -18.2003 -18.0670 -18.0670 -18.0280 -18.0280 -18.0216 -18.0216 -18.0176 -18.0176 -0.7664 -0.7664 2.6111 2.6111 2.6868 2.6868 3.4962 3.4962 3.7657 3.7657 3.9680 3.9680 4.3904 4.3904 7.3120 7.3120 11.0515 11.0515 11.6557 11.6557 13.5919 13.5919 k =-0.0730 0.1624 0.1781 ( 4551 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1679 -46.1679 -46.1626 -46.1626 -42.3834 -42.3834 -42.1112 -42.1112 -18.2350 -18.2350 -18.1999 -18.1999 -18.0669 -18.0669 -18.0275 -18.0275 -18.0213 -18.0213 -18.0173 -18.0173 -0.7865 -0.7865 2.6008 2.6008 2.6627 2.6627 3.4862 3.4862 3.7727 3.7727 3.9698 3.9698 4.3997 4.3997 7.2840 7.2840 11.2505 11.2505 11.7850 11.7850 13.5718 13.5718 k =-0.0674 0.1499 0.1644 ( 4555 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1680 -46.1680 -46.1626 -46.1626 -42.3834 -42.3834 -42.1111 -42.1111 -18.2350 -18.2350 -18.1995 -18.1995 -18.0669 -18.0669 -18.0269 -18.0269 -18.0211 -18.0211 -18.0171 -18.0171 -0.8054 -0.8054 2.5910 2.5910 2.6400 2.6400 3.4765 3.4765 3.7792 3.7792 3.9718 3.9718 4.4087 4.4087 7.2583 7.2583 11.4499 11.4499 11.9144 11.9144 13.5570 13.5570 k =-0.0618 0.1374 0.1507 ( 4551 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1681 -46.1681 -46.1626 -46.1626 -42.3833 -42.3833 -42.1110 -42.1110 -18.2350 -18.2350 -18.1991 -18.1991 -18.0668 -18.0668 -18.0264 -18.0264 -18.0209 -18.0209 -18.0169 -18.0169 -0.8230 -0.8230 2.5818 2.5818 2.6189 2.6189 3.4675 3.4675 3.7852 3.7852 3.9741 3.9741 4.4172 4.4172 7.2347 7.2347 11.6494 11.6494 12.0425 12.0425 13.5486 13.5486 k =-0.0562 0.1249 0.1370 ( 4551 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1681 -46.1681 -46.1626 -46.1626 -42.3833 -42.3833 -42.1109 -42.1109 -18.2351 -18.2351 -18.1988 -18.1988 -18.0668 -18.0668 -18.0259 -18.0259 -18.0208 -18.0208 -18.0166 -18.0166 -0.8393 -0.8393 2.5732 2.5732 2.5995 2.5995 3.4591 3.4591 3.7906 3.7906 3.9764 3.9764 4.4251 4.4251 7.2133 7.2133 11.8485 11.8485 12.1677 12.1677 13.5479 13.5479 k =-0.0506 0.1124 0.1233 ( 4553 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1682 -46.1682 -46.1626 -46.1626 -42.3833 -42.3833 -42.1108 -42.1108 -18.2351 -18.2351 -18.1984 -18.1984 -18.0668 -18.0668 -18.0254 -18.0254 -18.0208 -18.0208 -18.0163 -18.0163 -0.8542 -0.8542 2.5649 2.5649 2.5820 2.5820 3.4514 3.4514 3.7954 3.7954 3.9788 3.9788 4.4325 4.4325 7.1940 7.1940 12.0469 12.0469 12.2878 12.2878 13.5566 13.5566 k =-0.0449 0.0999 0.1096 ( 4557 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1682 -46.1682 -46.1626 -46.1626 -42.3833 -42.3833 -42.1107 -42.1107 -18.2352 -18.2352 -18.1982 -18.1982 -18.0668 -18.0668 -18.0250 -18.0250 -18.0208 -18.0208 -18.0160 -18.0160 -0.8676 -0.8676 2.5567 2.5567 2.5671 2.5671 3.4445 3.4445 3.7995 3.7995 3.9811 3.9811 4.4392 4.4392 7.1768 7.1768 12.2439 12.2439 12.4003 12.4003 13.5766 13.5766 k =-0.0393 0.0874 0.0959 ( 4561 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1682 -46.1682 -46.1626 -46.1626 -42.3833 -42.3833 -42.1107 -42.1107 -18.2352 -18.2352 -18.1979 -18.1979 -18.0668 -18.0668 -18.0246 -18.0246 -18.0208 -18.0208 -18.0158 -18.0158 -0.8796 -0.8796 2.5468 2.5468 2.5562 2.5562 3.4383 3.4383 3.8031 3.8031 3.9834 3.9834 4.4452 4.4452 7.1617 7.1617 12.4390 12.4390 12.5022 12.5022 13.6101 13.6101 k =-0.0337 0.0750 0.0822 ( 4573 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1683 -46.1683 -46.1626 -46.1626 -42.3833 -42.3833 -42.1106 -42.1106 -18.2352 -18.2352 -18.1978 -18.1978 -18.0668 -18.0668 -18.0242 -18.0242 -18.0209 -18.0209 -18.0156 -18.0156 -0.8901 -0.8901 2.5358 2.5358 2.5492 2.5492 3.4329 3.4329 3.8061 3.8061 3.9854 3.9854 4.4505 4.4505 7.1487 7.1487 12.5907 12.5907 12.6311 12.6311 13.6549 13.6549 k =-0.0281 0.0625 0.0685 ( 4581 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1683 -46.1683 -46.1626 -46.1626 -42.3833 -42.3833 -42.1106 -42.1106 -18.2353 -18.2353 -18.1976 -18.1976 -18.0668 -18.0668 -18.0239 -18.0239 -18.0211 -18.0211 -18.0154 -18.0154 -0.8990 -0.8990 2.5256 2.5256 2.5440 2.5440 3.4283 3.4283 3.8085 3.8085 3.9873 3.9873 4.4551 4.4551 7.1377 7.1377 12.6637 12.6637 12.8190 12.8190 13.6397 13.6397 k =-0.0225 0.0500 0.0548 ( 4585 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2353 -18.2353 -18.1974 -18.1974 -18.0668 -18.0668 -18.0236 -18.0236 -18.0212 -18.0212 -18.0153 -18.0153 -0.9063 -0.9063 2.5171 2.5171 2.5399 2.5399 3.4246 3.4246 3.8105 3.8105 3.9889 3.9889 4.4589 4.4589 7.1287 7.1287 12.7207 12.7207 13.0010 13.0010 13.6265 13.6265 k =-0.0169 0.0375 0.0411 ( 4593 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2353 -18.2353 -18.1974 -18.1974 -18.0668 -18.0668 -18.0233 -18.0233 -18.0213 -18.0213 -18.0151 -18.0151 -0.9120 -0.9120 2.5104 2.5104 2.5368 2.5368 3.4217 3.4217 3.8120 3.8120 3.9902 3.9902 4.4618 4.4618 7.1217 7.1217 12.7624 12.7624 13.1735 13.1735 13.6193 13.6193 k =-0.0112 0.0250 0.0274 ( 4609 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2354 -18.2354 -18.1973 -18.1973 -18.0669 -18.0669 -18.0231 -18.0231 -18.0215 -18.0215 -18.0151 -18.0151 -0.9161 -0.9161 2.5055 2.5055 2.5345 2.5345 3.4196 3.4196 3.8130 3.8130 3.9911 3.9911 4.4639 4.4639 7.1167 7.1167 12.7903 12.7903 13.3287 13.3287 13.6232 13.6232 k =-0.0056 0.0125 0.0137 ( 4605 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2353 -18.2353 -18.1973 -18.1973 -18.0668 -18.0668 -18.0229 -18.0229 -18.0216 -18.0216 -18.0150 -18.0150 -0.9186 -0.9186 2.5026 2.5026 2.5332 2.5332 3.4183 3.4183 3.8137 3.8137 3.9917 3.9917 4.4652 4.4652 7.1137 7.1137 12.8062 12.8062 13.4428 13.4428 13.6546 13.6546 k = 0.0000 0.0000 0.0000 ( 4611 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2354 -18.2354 -18.1973 -18.1973 -18.0669 -18.0669 -18.0228 -18.0228 -18.0217 -18.0217 -18.0150 -18.0150 -0.9194 -0.9194 2.5016 2.5016 2.5327 2.5327 3.4179 3.4179 3.8138 3.8138 3.9918 3.9918 4.4656 4.4656 7.1127 7.1127 12.8114 12.8114 13.4815 13.4815 13.7039 13.7039 k = 0.0000 0.0000 0.0000 ( 4611 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2354 -18.2354 -18.1973 -18.1973 -18.0669 -18.0669 -18.0228 -18.0228 -18.0217 -18.0217 -18.0150 -18.0150 -0.9194 -0.9194 2.5016 2.5016 2.5327 2.5327 3.4179 3.4179 3.8138 3.8138 3.9918 3.9918 4.4656 4.4656 7.1127 7.1127 12.8114 12.8114 13.4815 13.4815 13.7039 13.7039 k = 0.0179 0.0080-0.0000 ( 4607 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2354 -18.2354 -18.1973 -18.1973 -18.0669 -18.0669 -18.0229 -18.0229 -18.0217 -18.0217 -18.0150 -18.0150 -0.9180 -0.9180 2.4892 2.4892 2.5401 2.5401 3.4179 3.4179 3.8139 3.8139 3.9919 3.9919 4.4656 4.4656 7.1201 7.1201 12.8128 12.8128 13.4775 13.4775 13.6991 13.6991 k = 0.0357 0.0161-0.0000 ( 4615 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2354 -18.2354 -18.1974 -18.1974 -18.0668 -18.0668 -18.0229 -18.0229 -18.0218 -18.0218 -18.0149 -18.0149 -0.9138 -0.9138 2.4631 2.4631 2.5510 2.5510 3.4178 3.4178 3.8139 3.8139 3.9919 3.9919 4.4656 4.4656 7.1422 7.1422 12.8170 12.8170 13.4657 13.4657 13.6850 13.6850 k = 0.0536 0.0241-0.0000 ( 4611 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1684 -46.1684 -46.1627 -46.1627 -42.3833 -42.3833 -42.1106 -42.1106 -18.2352 -18.2352 -18.1975 -18.1975 -18.0666 -18.0666 -18.0230 -18.0230 -18.0220 -18.0220 -18.0148 -18.0148 -0.9068 -0.9068 2.4293 2.4293 2.5599 2.5599 3.4177 3.4177 3.8141 3.8141 3.9921 3.9921 4.4657 4.4657 7.1787 7.1787 12.8239 12.8239 13.4468 13.4468 13.6627 13.6627 k = 0.0714 0.0321-0.0000 ( 4603 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1683 -46.1683 -46.1628 -46.1628 -42.3833 -42.3833 -42.1105 -42.1105 -18.2349 -18.2349 -18.1976 -18.1976 -18.0664 -18.0664 -18.0231 -18.0231 -18.0222 -18.0222 -18.0147 -18.0147 -0.8970 -0.8970 2.3886 2.3886 2.5666 2.5666 3.4177 3.4177 3.8143 3.8143 3.9923 3.9923 4.4657 4.4657 7.2290 7.2290 12.8331 12.8331 13.4217 13.4217 13.6333 13.6333 k = 0.0893 0.0402-0.0000 ( 4596 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1683 -46.1683 -46.1628 -46.1628 -42.3833 -42.3833 -42.1105 -42.1105 -18.2346 -18.2346 -18.1979 -18.1979 -18.0661 -18.0661 -18.0232 -18.0232 -18.0226 -18.0226 -18.0145 -18.0145 -0.8845 -0.8845 2.3412 2.3412 2.5714 2.5714 3.4176 3.4176 3.8145 3.8145 3.9925 3.9925 4.4658 4.4658 7.2926 7.2926 12.8442 12.8442 13.3916 13.3916 13.5985 13.5985 k = 0.1071 0.0482-0.0000 ( 4588 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1682 -46.1682 -46.1628 -46.1628 -42.3833 -42.3833 -42.1105 -42.1105 -18.2342 -18.2342 -18.1981 -18.1981 -18.0657 -18.0657 -18.0234 -18.0234 -18.0230 -18.0230 -18.0143 -18.0143 -0.8692 -0.8692 2.2875 2.2875 2.5746 2.5746 3.4174 3.4174 3.8148 3.8148 3.9928 3.9928 4.4658 4.4658 7.3686 7.3686 12.8564 12.8564 13.3578 13.3578 13.5597 13.5597 k = 0.1250 0.0562-0.0000 ( 4580 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1682 -46.1682 -46.1629 -46.1629 -42.3832 -42.3832 -42.1105 -42.1105 -18.2337 -18.2337 -18.1984 -18.1984 -18.0653 -18.0653 -18.0236 -18.0236 -18.0235 -18.0235 -18.0140 -18.0140 -0.8512 -0.8512 2.2281 2.2281 2.5767 2.5767 3.4173 3.4173 3.8152 3.8152 3.9931 3.9931 4.4658 4.4658 7.4563 7.4563 12.8685 12.8685 13.3214 13.3214 13.5182 13.5182 k = 0.1429 0.0642-0.0000 ( 4580 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1681 -46.1681 -46.1629 -46.1629 -42.3832 -42.3832 -42.1105 -42.1105 -18.2332 -18.2332 -18.1988 -18.1988 -18.0648 -18.0648 -18.0241 -18.0241 -18.0238 -18.0238 -18.0138 -18.0138 -0.8307 -0.8307 2.1634 2.1634 2.5778 2.5778 3.4171 3.4171 3.8155 3.8155 3.9935 3.9935 4.4659 4.4659 7.5547 7.5547 12.8789 12.8789 13.2834 13.2834 13.4750 13.4750 k = 0.1607 0.0723-0.0000 ( 4572 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1680 -46.1680 -46.1630 -46.1630 -42.3832 -42.3832 -42.1104 -42.1104 -18.2327 -18.2327 -18.1992 -18.1992 -18.0643 -18.0643 -18.0247 -18.0247 -18.0240 -18.0240 -18.0135 -18.0135 -0.8075 -0.8075 2.0942 2.0942 2.5783 2.5783 3.4169 3.4169 3.8159 3.8159 3.9939 3.9939 4.4659 4.4659 7.6630 7.6630 12.8849 12.8849 13.2451 13.2451 13.4310 13.4310 k = 0.1786 0.0803-0.0000 ( 4572 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1679 -46.1679 -46.1631 -46.1631 -42.3832 -42.3832 -42.1104 -42.1104 -18.2321 -18.2321 -18.1997 -18.1997 -18.0637 -18.0637 -18.0254 -18.0254 -18.0242 -18.0242 -18.0133 -18.0133 -0.7818 -0.7818 2.0212 2.0212 2.5783 2.5783 3.4167 3.4167 3.8163 3.8163 3.9943 3.9943 4.4660 4.4660 7.7803 7.7803 12.8827 12.8827 13.2073 13.2073 13.3870 13.3870 k = 0.1964 0.0883-0.0000 ( 4576 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1679 -46.1679 -46.1632 -46.1632 -42.3832 -42.3832 -42.1104 -42.1104 -18.2314 -18.2314 -18.2003 -18.2003 -18.0631 -18.0631 -18.0262 -18.0262 -18.0245 -18.0245 -18.0131 -18.0131 -0.7537 -0.7537 1.9451 1.9451 2.5778 2.5778 3.4164 3.4164 3.8168 3.8168 3.9947 3.9947 4.4660 4.4660 7.9059 7.9059 12.8675 12.8675 13.1706 13.1706 13.3435 13.3435 k = 0.2143 0.0964-0.0000 ( 4568 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1677 -46.1677 -46.1633 -46.1633 -42.3832 -42.3832 -42.1104 -42.1104 -18.2307 -18.2307 -18.2008 -18.2008 -18.0624 -18.0624 -18.0270 -18.0270 -18.0247 -18.0247 -18.0128 -18.0128 -0.7232 -0.7232 1.8666 1.8666 2.5770 2.5770 3.4162 3.4162 3.8172 3.8172 3.9951 3.9951 4.4661 4.4661 8.0389 8.0389 12.8349 12.8349 13.1349 13.1349 13.3011 13.3011 k = 0.2321 0.1044-0.0000 ( 4564 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1676 -46.1676 -46.1634 -46.1634 -42.3832 -42.3832 -42.1104 -42.1104 -18.2299 -18.2299 -18.2015 -18.2015 -18.0616 -18.0616 -18.0279 -18.0279 -18.0249 -18.0249 -18.0126 -18.0126 -0.6906 -0.6906 1.7864 1.7864 2.5759 2.5759 3.4159 3.4159 3.8177 3.8177 3.9956 3.9956 4.4661 4.4661 8.1786 8.1786 12.7825 12.7825 13.0992 13.0992 13.2600 13.2600 k = 0.2500 0.1124-0.0000 ( 4544 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1675 -46.1675 -46.1635 -46.1635 -42.3831 -42.3831 -42.1104 -42.1104 -18.2291 -18.2291 -18.2020 -18.2020 -18.0608 -18.0608 -18.0287 -18.0287 -18.0251 -18.0251 -18.0122 -18.0122 -0.6558 -0.6558 1.7052 1.7052 2.5747 2.5747 3.4157 3.4157 3.8182 3.8182 3.9961 3.9961 4.4662 4.4662 8.3243 8.3243 12.7107 12.7107 13.0635 13.0635 13.2207 13.2207 k = 0.2679 0.1205-0.0000 ( 4556 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1674 -46.1674 -46.1636 -46.1636 -42.3832 -42.3832 -42.1104 -42.1104 -18.2283 -18.2283 -18.2028 -18.2028 -18.0600 -18.0600 -18.0298 -18.0298 -18.0254 -18.0254 -18.0120 -18.0120 -0.6193 -0.6193 1.6236 1.6236 2.5734 2.5734 3.4155 3.4155 3.8187 3.8187 3.9965 3.9965 4.4663 4.4663 8.4754 8.4754 12.6218 12.6218 13.0283 13.0283 13.1832 13.1832 k = 0.2857 0.1285-0.0000 ( 4556 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1673 -46.1673 -46.1637 -46.1637 -42.3832 -42.3832 -42.1104 -42.1104 -18.2274 -18.2274 -18.2035 -18.2035 -18.0591 -18.0591 -18.0308 -18.0308 -18.0256 -18.0256 -18.0118 -18.0118 -0.5810 -0.5810 1.5422 1.5422 2.5720 2.5720 3.4152 3.4152 3.8191 3.8191 3.9970 3.9970 4.4663 4.4663 8.6313 8.6313 12.5182 12.5182 12.9944 12.9944 13.1480 13.1480 k = 0.3036 0.1365-0.0000 ( 4552 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1671 -46.1671 -46.1639 -46.1639 -42.3832 -42.3832 -42.1104 -42.1104 -18.2265 -18.2265 -18.2043 -18.2043 -18.0582 -18.0582 -18.0319 -18.0319 -18.0257 -18.0257 -18.0116 -18.0116 -0.5414 -0.5414 1.4617 1.4617 2.5705 2.5705 3.4150 3.4150 3.8196 3.8196 3.9974 3.9974 4.4664 4.4664 8.7915 8.7915 12.4026 12.4026 12.9624 12.9624 13.1151 13.1151 k = 0.3214 0.1446-0.0000 ( 4552 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1670 -46.1670 -46.1640 -46.1640 -42.3832 -42.3832 -42.1104 -42.1104 -18.2255 -18.2255 -18.2052 -18.2052 -18.0572 -18.0572 -18.0330 -18.0330 -18.0259 -18.0259 -18.0114 -18.0114 -0.5007 -0.5007 1.3828 1.3828 2.5691 2.5691 3.4147 3.4147 3.8200 3.8200 3.9978 3.9978 4.4664 4.4664 8.9553 8.9553 12.2769 12.2769 12.9327 12.9327 13.0846 13.0846 k = 0.3393 0.1526-0.0000 ( 4548 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1669 -46.1669 -46.1641 -46.1641 -42.3832 -42.3832 -42.1104 -42.1104 -18.2245 -18.2245 -18.2060 -18.2060 -18.0561 -18.0561 -18.0342 -18.0342 -18.0261 -18.0261 -18.0113 -18.0113 -0.4595 -0.4595 1.3061 1.3061 2.5677 2.5677 3.4145 3.4145 3.8204 3.8204 3.9982 3.9982 4.4665 4.4665 9.1223 9.1223 12.1425 12.1425 12.9056 12.9056 13.0568 13.0568 k = 0.3571 0.1606-0.0000 ( 4548 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1667 -46.1667 -46.1643 -46.1643 -42.3832 -42.3832 -42.1104 -42.1104 -18.2235 -18.2235 -18.2069 -18.2069 -18.0551 -18.0551 -18.0353 -18.0353 -18.0262 -18.0262 -18.0111 -18.0111 -0.4181 -0.4181 1.2325 1.2325 2.5664 2.5664 3.4143 3.4143 3.8208 3.8208 3.9986 3.9986 4.4665 4.4665 9.2920 9.2920 12.0008 12.0008 12.8810 12.8810 13.0316 13.0316 k = 0.3750 0.1686-0.0000 ( 4536 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1666 -46.1666 -46.1644 -46.1644 -42.3831 -42.3831 -42.1103 -42.1103 -18.2224 -18.2224 -18.2079 -18.2079 -18.0539 -18.0539 -18.0365 -18.0365 -18.0263 -18.0263 -18.0109 -18.0109 -0.3773 -0.3773 1.1627 1.1627 2.5651 2.5651 3.4141 3.4141 3.8212 3.8212 3.9990 3.9990 4.4666 4.4666 9.4639 9.4639 11.8527 11.8527 12.8592 12.8592 13.0093 13.0093 k = 0.3929 0.1767-0.0000 ( 4536 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1664 -46.1664 -46.1645 -46.1645 -42.3831 -42.3831 -42.1103 -42.1103 -18.2213 -18.2213 -18.2088 -18.2088 -18.0528 -18.0528 -18.0378 -18.0378 -18.0264 -18.0264 -18.0108 -18.0108 -0.3379 -0.3379 1.0979 1.0979 2.5640 2.5640 3.4140 3.4140 3.8215 3.8215 3.9993 3.9993 4.4666 4.4666 9.6376 9.6376 11.6991 11.6991 12.8402 12.8402 12.9898 12.9898 k = 0.4107 0.1847-0.0000 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1663 -46.1663 -46.1647 -46.1647 -42.3831 -42.3831 -42.1103 -42.1103 -18.2203 -18.2203 -18.2098 -18.2098 -18.0517 -18.0517 -18.0390 -18.0390 -18.0265 -18.0265 -18.0107 -18.0107 -0.3010 -0.3010 1.0393 1.0393 2.5631 2.5631 3.4138 3.4138 3.8218 3.8218 3.9996 3.9996 4.4666 4.4666 9.8126 9.8126 11.5407 11.5407 12.8240 12.8240 12.9732 12.9732 k = 0.4286 0.1927-0.0000 ( 4536 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1661 -46.1661 -46.1648 -46.1648 -42.3831 -42.3831 -42.1103 -42.1103 -18.2193 -18.2193 -18.2108 -18.2108 -18.0505 -18.0505 -18.0402 -18.0402 -18.0267 -18.0267 -18.0106 -18.0106 -0.2677 -0.2677 0.9880 0.9880 2.5622 2.5622 3.4137 3.4137 3.8220 3.8220 3.9998 3.9998 4.4667 4.4667 9.9883 9.9883 11.3782 11.3782 12.8108 12.8108 12.9595 12.9595 k = 0.4464 0.2008-0.0000 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1660 -46.1660 -46.1650 -46.1650 -42.3831 -42.3831 -42.1103 -42.1103 -18.2182 -18.2182 -18.2118 -18.2118 -18.0494 -18.0494 -18.0415 -18.0415 -18.0267 -18.0267 -18.0105 -18.0105 -0.2395 -0.2395 0.9458 0.9458 2.5616 2.5616 3.4136 3.4136 3.8222 3.8222 4.0000 4.0000 4.4667 4.4667 10.1642 10.1642 11.2125 11.2125 12.8004 12.8004 12.9489 12.9489 k = 0.4643 0.2088-0.0000 ( 4548 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1658 -46.1658 -46.1652 -46.1652 -42.3832 -42.3832 -42.1103 -42.1103 -18.2172 -18.2172 -18.2129 -18.2129 -18.0483 -18.0483 -18.0426 -18.0426 -18.0268 -18.0268 -18.0105 -18.0105 -0.2179 -0.2179 0.9141 0.9141 2.5611 2.5611 3.4135 3.4135 3.8223 3.8223 4.0001 4.0001 4.4667 4.4667 10.3395 10.3395 11.0444 11.0444 12.7930 12.7930 12.9412 12.9412 k = 0.4821 0.2168-0.0000 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1657 -46.1657 -46.1653 -46.1653 -42.3831 -42.3831 -42.1103 -42.1103 -18.2161 -18.2161 -18.2139 -18.2139 -18.0473 -18.0473 -18.0436 -18.0436 -18.0268 -18.0268 -18.0104 -18.0104 -0.2043 -0.2043 0.8944 0.8944 2.5608 2.5608 3.4135 3.4135 3.8224 3.8224 4.0002 4.0002 4.4667 4.4667 10.5117 10.5117 10.8764 10.8764 12.7885 12.7885 12.9367 12.9367 k = 0.5000 0.2249-0.0000 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3831 -42.3831 -42.1103 -42.1103 -18.2152 -18.2152 -18.2148 -18.2148 -18.0468 -18.0468 -18.0442 -18.0442 -18.0268 -18.0268 -18.0104 -18.0104 -0.1996 -0.1996 0.8877 0.8877 2.5607 2.5607 3.4135 3.4135 3.8224 3.8224 4.0002 4.0002 4.4667 4.4667 10.6418 10.6418 10.7477 10.7477 12.7870 12.7870 12.9351 12.9351 k = 0.5000 0.2249-0.0000 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3831 -42.3831 -42.1103 -42.1103 -18.2152 -18.2152 -18.2148 -18.2148 -18.0468 -18.0468 -18.0442 -18.0442 -18.0268 -18.0268 -18.0104 -18.0104 -0.1996 -0.1996 0.8877 0.8877 2.5607 2.5607 3.4135 3.4135 3.8224 3.8224 4.0002 4.0002 4.4667 4.4667 10.6418 10.6418 10.7477 10.7477 12.7870 12.7870 12.9351 12.9351 k = 0.4944 0.2374 0.0137 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3831 -42.3831 -42.1103 -42.1103 -18.2152 -18.2152 -18.2148 -18.2148 -18.0468 -18.0468 -18.0442 -18.0442 -18.0268 -18.0268 -18.0104 -18.0104 -0.1992 -0.1992 0.8887 0.8887 2.5619 2.5619 3.4139 3.4139 3.8222 3.8222 4.0000 4.0000 4.4663 4.4663 10.6376 10.6376 10.7477 10.7477 12.7780 12.7780 12.9259 12.9259 k = 0.4888 0.2498 0.0274 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3831 -42.3831 -42.1104 -42.1104 -18.2152 -18.2152 -18.2148 -18.2148 -18.0468 -18.0468 -18.0442 -18.0442 -18.0268 -18.0268 -18.0105 -18.0105 -0.1978 -0.1978 0.8918 0.8918 2.5653 2.5653 3.4151 3.4151 3.8216 3.8216 3.9994 3.9994 4.4650 4.4650 10.6250 10.6250 10.7476 10.7476 12.7450 12.7450 12.9082 12.9082 k = 0.4831 0.2623 0.0411 ( 4544 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3832 -42.3832 -42.1104 -42.1104 -18.2153 -18.2153 -18.2148 -18.2148 -18.0469 -18.0469 -18.0442 -18.0442 -18.0269 -18.0269 -18.0106 -18.0106 -0.1955 -0.1955 0.8970 0.8970 2.5711 2.5711 3.4172 3.4172 3.8205 3.8205 3.9985 3.9985 4.4628 4.4628 10.6035 10.6035 10.7472 10.7472 12.6822 12.6822 12.8983 12.8983 k = 0.4775 0.2748 0.0548 ( 4552 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1656 -46.1656 -46.1654 -46.1654 -42.3832 -42.3832 -42.1104 -42.1104 -18.2154 -18.2154 -18.2149 -18.2149 -18.0471 -18.0471 -18.0442 -18.0442 -18.0270 -18.0270 -18.0107 -18.0107 -0.1923 -0.1923 0.9042 0.9042 2.5792 2.5792 3.4201 3.4201 3.8189 3.8189 3.9972 3.9972 4.4598 4.4598 10.5727 10.5727 10.7463 10.7463 12.5969 12.5969 12.8991 12.8991 k = 0.4719 0.2873 0.0685 ( 4548 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1656 -46.1656 -46.1653 -46.1653 -42.3832 -42.3832 -42.1105 -42.1105 -18.2155 -18.2155 -18.2149 -18.2149 -18.0472 -18.0472 -18.0442 -18.0442 -18.0271 -18.0271 -18.0109 -18.0109 -0.1882 -0.1882 0.9134 0.9134 2.5896 2.5896 3.4239 3.4239 3.8169 3.8169 3.9957 3.9957 4.4561 4.4561 10.5318 10.5318 10.7448 10.7448 12.5013 12.5013 12.9075 12.9075 k = 0.4663 0.2998 0.0822 ( 4556 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1656 -46.1656 -46.1653 -46.1653 -42.3832 -42.3832 -42.1106 -42.1106 -18.2157 -18.2157 -18.2150 -18.2150 -18.0474 -18.0474 -18.0443 -18.0443 -18.0273 -18.0273 -18.0111 -18.0111 -0.1833 -0.1833 0.9247 0.9247 2.6022 2.6022 3.4285 3.4285 3.8144 3.8144 3.9939 3.9939 4.4515 4.4515 10.4799 10.4799 10.7426 10.7426 12.4039 12.4039 12.9209 12.9209 k = 0.4607 0.3123 0.0959 ( 4560 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1656 -46.1656 -46.1653 -46.1653 -42.3833 -42.3833 -42.1107 -42.1107 -18.2159 -18.2159 -18.2151 -18.2151 -18.0476 -18.0476 -18.0443 -18.0443 -18.0274 -18.0274 -18.0113 -18.0113 -0.1776 -0.1776 0.9380 0.9380 2.6170 2.6170 3.4339 3.4339 3.8114 3.8114 3.9919 3.9919 4.4462 4.4462 10.4162 10.4162 10.7395 10.7395 12.3105 12.3105 12.9384 12.9384 k = 0.4551 0.3248 0.1096 ( 4568 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1656 -46.1656 -46.1653 -46.1653 -42.3833 -42.3833 -42.1108 -42.1108 -18.2161 -18.2161 -18.2152 -18.2152 -18.0478 -18.0478 -18.0443 -18.0443 -18.0276 -18.0276 -18.0116 -18.0116 -0.1711 -0.1711 0.9534 0.9534 2.6340 2.6340 3.4402 3.4402 3.8079 3.8079 3.9897 3.9897 4.4401 4.4401 10.3402 10.3402 10.7354 10.7354 12.2246 12.2246 12.9594 12.9594 k = 0.4494 0.3373 0.1233 ( 4564 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1656 -46.1656 -46.1652 -46.1652 -42.3833 -42.3833 -42.1108 -42.1108 -18.2163 -18.2163 -18.2153 -18.2153 -18.0481 -18.0481 -18.0443 -18.0443 -18.0277 -18.0277 -18.0119 -18.0119 -0.1639 -0.1639 0.9707 0.9707 2.6531 2.6531 3.4474 3.4474 3.8039 3.8039 3.9876 3.9876 4.4334 4.4334 10.2517 10.2517 10.7301 10.7301 12.1485 12.1485 12.9835 12.9835 k = 0.4438 0.3498 0.1370 ( 4562 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1656 -46.1656 -46.1652 -46.1652 -42.3833 -42.3833 -42.1109 -42.1109 -18.2165 -18.2165 -18.2154 -18.2154 -18.0484 -18.0484 -18.0444 -18.0444 -18.0279 -18.0279 -18.0122 -18.0122 -0.1561 -0.1561 0.9900 0.9900 2.6742 2.6742 3.4555 3.4555 3.7995 3.7995 3.9854 3.9854 4.4260 4.4260 10.1510 10.1510 10.7235 10.7235 12.0834 12.0834 13.0106 13.0106 k = 0.4382 0.3623 0.1507 ( 4566 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1655 -46.1655 -46.1651 -46.1651 -42.3834 -42.3834 -42.1110 -42.1110 -18.2167 -18.2167 -18.2155 -18.2155 -18.0487 -18.0487 -18.0444 -18.0444 -18.0280 -18.0280 -18.0125 -18.0125 -0.1476 -0.1476 1.0112 1.0112 2.6974 2.6974 3.4645 3.4645 3.7945 3.7945 3.9833 3.9833 4.4182 4.4182 10.0389 10.0389 10.7153 10.7153 12.0294 12.0294 13.0405 13.0405 k = 0.4326 0.3748 0.1644 ( 4564 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1655 -46.1655 -46.1651 -46.1651 -42.3834 -42.3834 -42.1111 -42.1111 -18.2170 -18.2170 -18.2156 -18.2156 -18.0491 -18.0491 -18.0445 -18.0445 -18.0282 -18.0282 -18.0129 -18.0129 -0.1386 -0.1386 1.0343 1.0343 2.7223 2.7223 3.4744 3.4744 3.7891 3.7891 3.9814 3.9814 4.4097 4.4097 9.9165 9.9165 10.7053 10.7053 11.9863 11.9863 13.0731 13.0731 k = 0.4270 0.3873 0.1781 ( 4560 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1655 -46.1655 -46.1650 -46.1650 -42.3834 -42.3834 -42.1113 -42.1113 -18.2173 -18.2173 -18.2158 -18.2158 -18.0494 -18.0494 -18.0446 -18.0446 -18.0283 -18.0283 -18.0132 -18.0132 -0.1290 -0.1290 1.0594 1.0594 2.7491 2.7491 3.4852 3.4852 3.7834 3.7834 3.9796 3.9796 4.4008 4.4008 9.7853 9.7853 10.6934 10.6934 11.9531 11.9531 13.1083 13.1083 k = 0.4213 0.3998 0.1918 ( 4563 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1655 -46.1655 -46.1650 -46.1650 -42.3835 -42.3835 -42.1114 -42.1114 -18.2176 -18.2176 -18.2159 -18.2159 -18.0498 -18.0498 -18.0447 -18.0447 -18.0285 -18.0285 -18.0136 -18.0136 -0.1191 -0.1191 1.0863 1.0863 2.7774 2.7774 3.4968 3.4968 3.7776 3.7776 3.9781 3.9781 4.3915 4.3915 9.6466 9.6466 10.6794 10.6794 11.9288 11.9288 13.1459 13.1459 k = 0.4157 0.4122 0.2055 ( 4565 PWs) bands (ev): -77.8780 -77.8780 -46.7225 -46.7225 -46.1655 -46.1655 -46.1649 -46.1649 -42.3835 -42.3835 -42.1115 -42.1115 -18.2180 -18.2180 -18.2160 -18.2160 -18.0502 -18.0502 -18.0448 -18.0448 -18.0287 -18.0287 -18.0140 -18.0140 -0.1089 -0.1089 1.1150 1.1150 2.8071 2.8071 3.5091 3.5091 3.7718 3.7718 3.9770 3.9770 4.3819 4.3819 9.5019 9.5019 10.6631 10.6631 11.9125 11.9125 13.1858 13.1858 k = 0.4101 0.4247 0.2192 ( 4573 PWs) bands (ev): -77.8780 -77.8780 -46.7226 -46.7226 -46.1655 -46.1655 -46.1649 -46.1649 -42.3836 -42.3836 -42.1117 -42.1117 -18.2184 -18.2184 -18.2162 -18.2162 -18.0507 -18.0507 -18.0450 -18.0450 -18.0288 -18.0288 -18.0144 -18.0144 -0.0983 -0.0983 1.1455 1.1455 2.8380 2.8380 3.5219 3.5219 3.7665 3.7665 3.9762 3.9762 4.3720 4.3720 9.3525 9.3525 10.6444 10.6444 11.9028 11.9028 13.2279 13.2279 k = 0.4045 0.4372 0.2329 ( 4575 PWs) bands (ev): -77.8780 -77.8780 -46.7226 -46.7226 -46.1655 -46.1655 -46.1648 -46.1648 -42.3836 -42.3836 -42.1119 -42.1119 -18.2187 -18.2187 -18.2164 -18.2164 -18.0512 -18.0512 -18.0451 -18.0451 -18.0290 -18.0290 -18.0148 -18.0148 -0.0876 -0.0876 1.1778 1.1778 2.8698 2.8698 3.5349 3.5349 3.7621 3.7621 3.9759 3.9759 4.3620 4.3620 9.1995 9.1995 10.6233 10.6233 11.8990 11.8990 13.2718 13.2718 k = 0.3989 0.4497 0.2465 ( 4571 PWs) bands (ev): -77.8780 -77.8780 -46.7227 -46.7227 -46.1654 -46.1654 -46.1648 -46.1648 -42.3837 -42.3837 -42.1120 -42.1120 -18.2191 -18.2191 -18.2165 -18.2165 -18.0517 -18.0517 -18.0453 -18.0453 -18.0291 -18.0291 -18.0152 -18.0152 -0.0768 -0.0768 1.2118 1.2118 2.9024 2.9024 3.5477 3.5477 3.7593 3.7593 3.9761 3.9761 4.3518 4.3518 9.0439 9.0439 10.5995 10.5995 11.8998 11.8998 13.3169 13.3169 k = 0.3933 0.4622 0.2602 ( 4579 PWs) bands (ev): -77.8780 -77.8780 -46.7227 -46.7227 -46.1654 -46.1654 -46.1647 -46.1647 -42.3837 -42.3837 -42.1122 -42.1122 -18.2195 -18.2195 -18.2167 -18.2167 -18.0522 -18.0522 -18.0455 -18.0455 -18.0292 -18.0292 -18.0156 -18.0156 -0.0660 -0.0660 1.2475 1.2475 2.9353 2.9353 3.5592 3.5592 3.7592 3.7592 3.9770 3.9770 4.3417 4.3417 8.8865 8.8865 10.5731 10.5731 11.9045 11.9045 13.3591 13.3591 k = 0.3876 0.4747 0.2739 ( 4579 PWs) bands (ev): -77.8780 -77.8780 -46.7228 -46.7228 -46.1654 -46.1654 -46.1647 -46.1647 -42.3838 -42.3838 -42.1123 -42.1123 -18.2200 -18.2200 -18.2168 -18.2168 -18.0527 -18.0527 -18.0457 -18.0457 -18.0292 -18.0292 -18.0160 -18.0160 -0.0553 -0.0553 1.2847 1.2847 2.9682 2.9682 3.5686 3.5686 3.7630 3.7630 3.9787 3.9787 4.3317 4.3317 8.7281 8.7281 10.5442 10.5442 11.9118 11.9118 13.3367 13.3367 k = 0.3820 0.4872 0.2876 ( 4563 PWs) bands (ev): -77.8780 -77.8780 -46.7228 -46.7228 -46.1654 -46.1654 -46.1646 -46.1646 -42.3838 -42.3838 -42.1124 -42.1124 -18.2204 -18.2204 -18.2169 -18.2169 -18.0532 -18.0532 -18.0458 -18.0458 -18.0292 -18.0292 -18.0163 -18.0163 -0.0447 -0.0447 1.3236 1.3236 3.0008 3.0008 3.5747 3.5747 3.7717 3.7717 3.9815 3.9815 4.3221 4.3221 8.5692 8.5692 10.5127 10.5127 11.9204 11.9204 13.1839 13.1839 k = 0.3764 0.4997 0.3013 ( 4565 PWs) bands (ev): -77.8780 -77.8780 -46.7229 -46.7229 -46.1654 -46.1654 -46.1645 -46.1645 -42.3838 -42.3838 -42.1126 -42.1126 -18.2208 -18.2208 -18.2171 -18.2171 -18.0538 -18.0538 -18.0461 -18.0461 -18.0292 -18.0292 -18.0167 -18.0167 -0.0344 -0.0344 1.3639 1.3639 3.0326 3.0326 3.5769 3.5769 3.7857 3.7857 3.9858 3.9858 4.3129 4.3129 8.4104 8.4104 10.4788 10.4788 11.9286 11.9286 13.0216 13.0216 k = 0.3708 0.5122 0.3150 ( 4573 PWs) bands (ev): -77.8780 -77.8780 -46.7230 -46.7230 -46.1654 -46.1654 -46.1645 -46.1645 -42.3839 -42.3839 -42.1128 -42.1128 -18.2213 -18.2213 -18.2173 -18.2173 -18.0544 -18.0544 -18.0464 -18.0464 -18.0293 -18.0293 -18.0171 -18.0171 -0.0244 -0.0244 1.4057 1.4057 3.0635 3.0635 3.5750 3.5750 3.8047 3.8047 3.9924 3.9924 4.3043 4.3043 8.2520 8.2520 10.4427 10.4427 11.9336 11.9336 12.8657 12.8657 k = 0.3652 0.5247 0.3287 ( 4577 PWs) bands (ev): -77.8780 -77.8780 -46.7230 -46.7230 -46.1654 -46.1654 -46.1644 -46.1644 -42.3839 -42.3839 -42.1129 -42.1129 -18.2218 -18.2218 -18.2175 -18.2175 -18.0550 -18.0550 -18.0466 -18.0466 -18.0293 -18.0293 -18.0175 -18.0175 -0.0149 -0.0149 1.4489 1.4489 3.0929 3.0929 3.5698 3.5698 3.8271 3.8271 4.0022 4.0022 4.2967 4.2967 8.0944 8.0944 10.4046 10.4046 11.9309 11.9309 12.7219 12.7219 k = 0.3596 0.5372 0.3424 ( 4573 PWs) bands (ev): -77.8779 -77.8779 -46.7231 -46.7231 -46.1653 -46.1653 -46.1643 -46.1643 -42.3840 -42.3840 -42.1131 -42.1131 -18.2222 -18.2222 -18.2176 -18.2176 -18.0556 -18.0556 -18.0469 -18.0469 -18.0292 -18.0292 -18.0178 -18.0178 -0.0058 -0.0058 1.4933 1.4933 3.1208 3.1208 3.5618 3.5618 3.8504 3.8504 4.0167 4.0167 4.2908 4.2908 7.9379 7.9379 10.3646 10.3646 11.9133 11.9133 12.5979 12.5979 k = 0.3539 0.5497 0.3561 ( 4573 PWs) bands (ev): -77.8779 -77.8779 -46.7231 -46.7231 -46.1653 -46.1653 -46.1643 -46.1643 -42.3840 -42.3840 -42.1132 -42.1132 -18.2227 -18.2227 -18.2177 -18.2177 -18.0562 -18.0562 -18.0471 -18.0471 -18.0291 -18.0291 -18.0181 -18.0181 0.0027 0.0027 1.5391 1.5391 3.1469 3.1469 3.5517 3.5517 3.8719 3.8719 4.0373 4.0373 4.2875 4.2875 7.7828 7.7828 10.3231 10.3231 11.8710 11.8710 12.5035 12.5035 k = 0.3483 0.5621 0.3698 ( 4569 PWs) bands (ev): -77.8779 -77.8779 -46.7232 -46.7232 -46.1653 -46.1653 -46.1642 -46.1642 -42.3841 -42.3841 -42.1134 -42.1134 -18.2232 -18.2232 -18.2179 -18.2179 -18.0568 -18.0568 -18.0474 -18.0474 -18.0290 -18.0290 -18.0184 -18.0184 0.0105 0.0105 1.5860 1.5860 3.1711 3.1711 3.5401 3.5401 3.8894 3.8894 4.0640 4.0640 4.2885 4.2885 7.6293 7.6293 10.2804 10.2804 11.7970 11.7970 12.4459 12.4459 k = 0.3427 0.5746 0.3835 ( 4561 PWs) bands (ev): -77.8779 -77.8779 -46.7232 -46.7232 -46.1653 -46.1653 -46.1641 -46.1641 -42.3841 -42.3841 -42.1135 -42.1135 -18.2236 -18.2236 -18.2180 -18.2180 -18.0573 -18.0573 -18.0476 -18.0476 -18.0289 -18.0289 -18.0187 -18.0187 0.0175 0.0175 1.6339 1.6339 3.1933 3.1933 3.5273 3.5273 3.9025 3.9025 4.0939 4.0939 4.2970 4.2970 7.4777 7.4777 10.2368 10.2368 11.6935 11.6935 12.4229 12.4229 k = 0.3371 0.5871 0.3972 ( 4565 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1653 -46.1653 -46.1641 -46.1641 -42.3841 -42.3841 -42.1136 -42.1136 -18.2241 -18.2241 -18.2181 -18.2181 -18.0580 -18.0580 -18.0478 -18.0478 -18.0288 -18.0288 -18.0190 -18.0190 0.0237 0.0237 1.6829 1.6829 3.2135 3.2135 3.5137 3.5137 3.9119 3.9119 4.1211 4.1211 4.3177 4.3177 7.3280 7.3280 10.1926 10.1926 11.5693 11.5693 12.4258 12.4258 k = 0.3315 0.5996 0.4109 ( 4559 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1653 -46.1653 -46.1640 -46.1640 -42.3842 -42.3842 -42.1137 -42.1137 -18.2246 -18.2246 -18.2181 -18.2181 -18.0586 -18.0586 -18.0480 -18.0480 -18.0287 -18.0287 -18.0193 -18.0193 0.0290 0.0290 1.7328 1.7328 3.2318 3.2318 3.4995 3.4995 3.9185 3.9185 4.1403 4.1403 4.3547 4.3547 7.1806 7.1806 10.1481 10.1481 11.4331 11.4331 12.4459 12.4459 k = 0.3258 0.6121 0.4246 ( 4559 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1653 -46.1653 -46.1639 -46.1639 -42.3842 -42.3842 -42.1139 -42.1139 -18.2251 -18.2251 -18.2182 -18.2182 -18.0592 -18.0592 -18.0482 -18.0482 -18.0285 -18.0285 -18.0196 -18.0196 0.0334 0.0334 1.7835 1.7835 3.2482 3.2482 3.4848 3.4848 3.9234 3.9234 4.1505 4.1505 4.4079 4.4079 7.0355 7.0355 10.1037 10.1037 11.2907 11.2907 12.4774 12.4774 k = 0.3202 0.6246 0.4383 ( 4565 PWs) bands (ev): -77.8779 -77.8779 -46.7234 -46.7234 -46.1653 -46.1653 -46.1639 -46.1639 -42.3843 -42.3843 -42.1140 -42.1140 -18.2256 -18.2256 -18.2183 -18.2183 -18.0598 -18.0598 -18.0483 -18.0483 -18.0284 -18.0284 -18.0199 -18.0199 0.0367 0.0367 1.8349 1.8349 3.2629 3.2629 3.4697 3.4697 3.9270 3.9270 4.1542 4.1542 4.4739 4.4739 6.8928 6.8928 10.0597 10.0597 11.1456 11.1456 12.5170 12.5170 k = 0.3146 0.6371 0.4520 ( 4565 PWs) bands (ev): -77.8779 -77.8779 -46.7234 -46.7234 -46.1653 -46.1653 -46.1638 -46.1638 -42.3843 -42.3843 -42.1141 -42.1141 -18.2261 -18.2261 -18.2183 -18.2183 -18.0604 -18.0604 -18.0485 -18.0485 -18.0283 -18.0283 -18.0201 -18.0201 0.0389 0.0389 1.8868 1.8868 3.2758 3.2758 3.4545 3.4545 3.9297 3.9297 4.1541 4.1541 4.5493 4.5493 6.7529 6.7529 10.0164 10.0164 10.9998 10.9998 12.5626 12.5626 k = 0.3090 0.6496 0.4657 ( 4565 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1653 -46.1653 -46.1637 -46.1637 -42.3843 -42.3843 -42.1142 -42.1142 -18.2266 -18.2266 -18.2183 -18.2183 -18.0609 -18.0609 -18.0486 -18.0486 -18.0281 -18.0281 -18.0203 -18.0203 0.0399 0.0399 1.9393 1.9393 3.2872 3.2872 3.4391 3.4391 3.9318 3.9318 4.1520 4.1520 4.6320 4.6320 6.6158 6.6158 9.9743 9.9743 10.8545 10.8545 12.6130 12.6130 k = 0.3034 0.6621 0.4794 ( 4549 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1653 -46.1653 -46.1637 -46.1637 -42.3843 -42.3843 -42.1143 -42.1143 -18.2270 -18.2270 -18.2183 -18.2183 -18.0614 -18.0614 -18.0486 -18.0486 -18.0279 -18.0279 -18.0205 -18.0205 0.0398 0.0398 1.9920 1.9920 3.2970 3.2970 3.4238 3.4238 3.9335 3.9335 4.1490 4.1490 4.7205 4.7205 6.4819 6.4819 9.9336 9.9336 10.7105 10.7105 12.6676 12.6676 k = 0.2978 0.6746 0.4931 ( 4557 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1653 -46.1653 -46.1636 -46.1636 -42.3844 -42.3844 -42.1144 -42.1144 -18.2275 -18.2275 -18.2182 -18.2182 -18.0620 -18.0620 -18.0487 -18.0487 -18.0278 -18.0278 -18.0207 -18.0207 0.0384 0.0384 2.0450 2.0450 3.3054 3.3054 3.4085 3.4085 3.9348 3.9348 4.1454 4.1454 4.8137 4.8137 6.3513 6.3513 9.8946 9.8946 10.5683 10.5683 12.7257 12.7257 k = 0.2921 0.6871 0.5068 ( 4561 PWs) bands (ev): -77.8779 -77.8779 -46.7236 -46.7236 -46.1654 -46.1654 -46.1636 -46.1636 -42.3844 -42.3844 -42.1145 -42.1145 -18.2280 -18.2280 -18.2182 -18.2182 -18.0625 -18.0625 -18.0488 -18.0488 -18.0277 -18.0277 -18.0209 -18.0209 0.0357 0.0357 2.0981 2.0981 3.3124 3.3124 3.3933 3.3933 3.9358 3.9358 4.1418 4.1418 4.9107 4.9107 6.2246 6.2246 9.8576 9.8576 10.4282 10.4282 12.7871 12.7871 k = 0.2865 0.6996 0.5205 ( 4555 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1635 -46.1635 -42.3844 -42.3844 -42.1145 -42.1145 -18.2283 -18.2283 -18.2181 -18.2181 -18.0630 -18.0630 -18.0487 -18.0487 -18.0276 -18.0276 -18.0210 -18.0210 0.0316 0.0316 2.1511 2.1511 3.3181 3.3181 3.3783 3.3783 3.9366 3.9366 4.1383 4.1383 5.0104 5.0104 6.1025 6.1025 9.8230 9.8230 10.2906 10.2906 12.8516 12.8516 k = 0.2809 0.7120 0.5342 ( 4559 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1634 -46.1634 -42.3844 -42.3844 -42.1146 -42.1146 -18.2288 -18.2288 -18.2180 -18.2180 -18.0635 -18.0635 -18.0487 -18.0487 -18.0275 -18.0275 -18.0211 -18.0211 0.0263 0.0263 2.2038 2.2038 3.3224 3.3224 3.3638 3.3638 3.9371 3.9371 4.1351 4.1351 5.1112 5.1112 5.9865 5.9865 9.7910 9.7910 10.1557 10.1557 12.9188 12.9188 k = 0.2753 0.7245 0.5479 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1634 -46.1634 -42.3844 -42.3844 -42.1147 -42.1147 -18.2292 -18.2292 -18.2178 -18.2178 -18.0639 -18.0639 -18.0485 -18.0485 -18.0273 -18.0273 -18.0212 -18.0212 0.0195 0.0195 2.2560 2.2560 3.3252 3.3252 3.3499 3.3499 3.9375 3.9375 4.1321 4.1321 5.2097 5.2097 5.8797 5.8797 9.7618 9.7618 10.0235 10.0235 12.9887 12.9887 k = 0.2753 0.7245 0.5479 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1634 -46.1634 -42.3844 -42.3844 -42.1147 -42.1147 -18.2292 -18.2292 -18.2178 -18.2178 -18.0639 -18.0639 -18.0485 -18.0485 -18.0273 -18.0273 -18.0212 -18.0212 0.0195 0.0195 2.2560 2.2560 3.3252 3.3252 3.3499 3.3499 3.9375 3.9375 4.1321 4.1321 5.2097 5.2097 5.8797 5.8797 9.7618 9.7618 10.0235 10.0235 12.9887 12.9887 k = 0.2569 0.7208 0.5520 ( 4551 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1654 -46.1654 -46.1634 -46.1634 -42.3844 -42.3844 -42.1147 -42.1147 -18.2293 -18.2293 -18.2178 -18.2178 -18.0641 -18.0641 -18.0485 -18.0485 -18.0273 -18.0273 -18.0212 -18.0212 0.0169 0.0169 2.2727 2.2727 3.3253 3.3253 3.3456 3.3456 3.9375 3.9375 4.1313 4.1313 5.2372 5.2372 5.8526 5.8526 9.7094 9.7094 10.0305 10.0305 13.0024 13.0024 k = 0.2386 0.7170 0.5561 ( 4558 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1655 -46.1655 -46.1633 -46.1633 -42.3845 -42.3845 -42.1147 -42.1147 -18.2295 -18.2295 -18.2177 -18.2177 -18.0642 -18.0642 -18.0485 -18.0485 -18.0272 -18.0272 -18.0213 -18.0213 0.0135 0.0135 2.2911 2.2911 3.3240 3.3240 3.3413 3.3413 3.9375 3.9375 4.1305 4.1305 5.2621 5.2621 5.8314 5.8314 9.6063 9.6063 10.0927 10.0927 13.0011 13.0011 k = 0.2202 0.7133 0.5602 ( 4561 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1655 -46.1655 -46.1633 -46.1633 -42.3845 -42.3845 -42.1147 -42.1147 -18.2296 -18.2296 -18.2177 -18.2177 -18.0644 -18.0644 -18.0485 -18.0485 -18.0271 -18.0271 -18.0214 -18.0214 0.0097 0.0097 2.3111 2.3111 3.3200 3.3200 3.3383 3.3383 3.9375 3.9375 4.1296 4.1296 5.2841 5.2841 5.8164 5.8164 9.4913 9.4913 10.1717 10.1717 12.9858 12.9858 k = 0.2019 0.7095 0.5643 ( 4558 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1655 -46.1655 -46.1633 -46.1633 -42.3845 -42.3845 -42.1147 -42.1147 -18.2297 -18.2297 -18.2176 -18.2176 -18.0645 -18.0645 -18.0485 -18.0485 -18.0270 -18.0270 -18.0214 -18.0214 0.0054 0.0054 2.3323 2.3323 3.3131 3.3131 3.3370 3.3370 3.9375 3.9375 4.1288 4.1288 5.3026 5.3026 5.8078 5.8078 9.3762 9.3762 10.2560 10.2560 12.9579 12.9579 k = 0.1835 0.7058 0.5684 ( 4556 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1655 -46.1655 -46.1633 -46.1633 -42.3845 -42.3845 -42.1147 -42.1147 -18.2298 -18.2298 -18.2175 -18.2175 -18.0646 -18.0646 -18.0484 -18.0484 -18.0268 -18.0268 -18.0216 -18.0216 0.0010 0.0010 2.3541 2.3541 3.3039 3.3039 3.3368 3.3368 3.9375 3.9375 4.1280 4.1280 5.3175 5.3175 5.8054 5.8054 9.2649 9.2649 10.3419 10.3419 12.9196 12.9196 k = 0.1652 0.7021 0.5725 ( 4556 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1655 -46.1655 -46.1632 -46.1632 -42.3845 -42.3845 -42.1147 -42.1147 -18.2300 -18.2300 -18.2174 -18.2174 -18.0648 -18.0648 -18.0484 -18.0484 -18.0266 -18.0266 -18.0217 -18.0217 -0.0035 -0.0035 2.3762 2.3762 3.2933 3.2933 3.3370 3.3370 3.9374 3.9374 4.1272 4.1272 5.3289 5.3289 5.8085 5.8085 9.1594 9.1594 10.4276 10.4276 12.8730 12.8730 k = 0.1468 0.6983 0.5766 ( 4561 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1632 -46.1632 -42.3845 -42.3845 -42.1147 -42.1147 -18.2301 -18.2301 -18.2174 -18.2174 -18.0649 -18.0649 -18.0484 -18.0484 -18.0264 -18.0264 -18.0219 -18.0219 -0.0079 -0.0079 2.3981 2.3981 3.2819 3.2819 3.3374 3.3374 3.9374 3.9374 4.1265 4.1265 5.3371 5.3371 5.8164 5.8164 9.0611 9.0611 10.5115 10.5115 12.8206 12.8206 k = 0.1285 0.6946 0.5808 ( 4565 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1632 -46.1632 -42.3845 -42.3845 -42.1148 -42.1148 -18.2302 -18.2302 -18.2173 -18.2173 -18.0650 -18.0650 -18.0485 -18.0485 -18.0261 -18.0261 -18.0221 -18.0221 -0.0121 -0.0121 2.4194 2.4194 3.2702 3.2702 3.3378 3.3378 3.9373 3.9373 4.1258 4.1258 5.3426 5.3426 5.8277 5.8277 8.9711 8.9711 10.5925 10.5925 12.7646 12.7646 k = 0.1101 0.6908 0.5849 ( 4564 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1632 -46.1632 -42.3845 -42.3845 -42.1148 -42.1148 -18.2303 -18.2303 -18.2173 -18.2173 -18.0651 -18.0651 -18.0484 -18.0484 -18.0259 -18.0259 -18.0223 -18.0223 -0.0160 -0.0160 2.4394 2.4394 3.2584 3.2584 3.3382 3.3382 3.9372 3.9372 4.1252 4.1252 5.3460 5.3460 5.8413 5.8413 8.8905 8.8905 10.6690 10.6690 12.7078 12.7078 k = 0.0918 0.6871 0.5890 ( 4567 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1632 -46.1632 -42.3845 -42.3845 -42.1148 -42.1148 -18.2304 -18.2304 -18.2172 -18.2172 -18.0652 -18.0652 -18.0484 -18.0484 -18.0256 -18.0256 -18.0225 -18.0225 -0.0195 -0.0195 2.4577 2.4577 3.2473 3.2473 3.3385 3.3385 3.9372 3.9372 4.1247 4.1247 5.3478 5.3478 5.8556 5.8556 8.8201 8.8201 10.7394 10.7394 12.6525 12.6525 k = 0.0734 0.6833 0.5931 ( 4565 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2305 -18.2305 -18.2172 -18.2172 -18.0653 -18.0653 -18.0484 -18.0484 -18.0253 -18.0253 -18.0227 -18.0227 -0.0224 -0.0224 2.4737 2.4737 3.2372 3.2372 3.3389 3.3389 3.9371 3.9371 4.1243 4.1243 5.3487 5.3487 5.8693 5.8693 8.7611 8.7611 10.8017 10.8017 12.6017 12.6017 k = 0.0551 0.6796 0.5972 ( 4564 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2306 -18.2306 -18.2171 -18.2171 -18.0654 -18.0654 -18.0484 -18.0484 -18.0250 -18.0250 -18.0230 -18.0230 -0.0248 -0.0248 2.4868 2.4868 3.2287 3.2287 3.3391 3.3391 3.9371 3.9371 4.1239 4.1239 5.3490 5.3490 5.8814 5.8814 8.7141 8.7141 10.8536 10.8536 12.5580 12.5580 k = 0.0367 0.6758 0.6013 ( 4568 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2306 -18.2306 -18.2171 -18.2171 -18.0654 -18.0654 -18.0484 -18.0484 -18.0248 -18.0248 -18.0232 -18.0232 -0.0265 -0.0265 2.4966 2.4966 3.2223 3.2223 3.3393 3.3393 3.9371 3.9371 4.1237 4.1237 5.3490 5.3490 5.8908 5.8908 8.6800 8.6800 10.8929 10.8929 12.5242 12.5242 k = 0.0184 0.6721 0.6054 ( 4568 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1657 -46.1657 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2307 -18.2307 -18.2171 -18.2171 -18.0654 -18.0654 -18.0484 -18.0484 -18.0246 -18.0246 -18.0234 -18.0234 -0.0276 -0.0276 2.5026 2.5026 3.2182 3.2182 3.3394 3.3394 3.9370 3.9370 4.1235 4.1235 5.3490 5.3490 5.8967 5.8967 8.6592 8.6592 10.9176 10.9176 12.5028 12.5028 k = 0.0000 0.6683 0.6095 ( 4564 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2307 -18.2307 -18.2171 -18.2171 -18.0654 -18.0654 -18.0484 -18.0484 -18.0245 -18.0245 -18.0234 -18.0234 -0.0279 -0.0279 2.5047 2.5047 3.2168 3.2168 3.3394 3.3394 3.9370 3.9370 4.1235 4.1235 5.3490 5.3490 5.8987 5.8987 8.6523 8.6523 10.9260 10.9260 12.4955 12.4955 k = 0.0000 0.6683 0.6095 ( 4564 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2307 -18.2307 -18.2171 -18.2171 -18.0654 -18.0654 -18.0484 -18.0484 -18.0245 -18.0245 -18.0234 -18.0234 -0.0279 -0.0279 2.5047 2.5047 3.2168 3.2168 3.3394 3.3394 3.9370 3.9370 4.1235 4.1235 5.3490 5.3490 5.8987 5.8987 8.6523 8.6523 10.9260 10.9260 12.4955 12.4955 k = 0.0057 0.6557 0.6234 ( 4568 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2307 -18.2307 -18.2171 -18.2171 -18.0655 -18.0655 -18.0484 -18.0484 -18.0245 -18.0245 -18.0234 -18.0234 -0.0276 -0.0276 2.5053 2.5053 3.2171 3.2171 3.3406 3.3406 3.9367 3.9367 4.1223 4.1223 5.3491 5.3491 5.9012 5.9012 8.6534 8.6534 10.9265 10.9265 12.4920 12.4920 k = 0.0114 0.6431 0.6372 ( 4566 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2307 -18.2307 -18.2171 -18.2171 -18.0655 -18.0655 -18.0484 -18.0484 -18.0246 -18.0246 -18.0235 -18.0235 -0.0267 -0.0267 2.5070 2.5070 3.2180 3.2180 3.3440 3.3440 3.9356 3.9356 4.1186 4.1186 5.3497 5.3497 5.9085 5.9085 8.6569 8.6569 10.9281 10.9281 12.4815 12.4815 k = 0.0170 0.6304 0.6511 ( 4568 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3845 -42.3845 -42.1148 -42.1148 -18.2307 -18.2307 -18.2171 -18.2171 -18.0655 -18.0655 -18.0484 -18.0484 -18.0248 -18.0248 -18.0235 -18.0235 -0.0251 -0.0251 2.5098 2.5098 3.2195 3.2195 3.3496 3.3496 3.9338 3.9338 4.1126 4.1126 5.3505 5.3505 5.9205 5.9205 8.6627 8.6627 10.9306 10.9306 12.4636 12.4636 k = 0.0227 0.6178 0.6649 ( 4570 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3846 -42.3846 -42.1149 -42.1149 -18.2308 -18.2308 -18.2171 -18.2171 -18.0655 -18.0655 -18.0484 -18.0484 -18.0251 -18.0251 -18.0236 -18.0236 -0.0229 -0.0229 2.5138 2.5138 3.2215 3.2215 3.3575 3.3575 3.9314 3.9314 4.1043 4.1043 5.3518 5.3518 5.9372 5.9372 8.6707 8.6707 10.9341 10.9341 12.4374 12.4374 k = 0.0284 0.6052 0.6788 ( 4562 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1656 -46.1656 -46.1631 -46.1631 -42.3846 -42.3846 -42.1149 -42.1149 -18.2308 -18.2308 -18.2171 -18.2171 -18.0655 -18.0655 -18.0483 -18.0483 -18.0254 -18.0254 -18.0237 -18.0237 -0.0201 -0.0201 2.5188 2.5188 3.2240 3.2240 3.3676 3.3676 3.9284 3.9284 4.0941 4.0941 5.3535 5.3535 5.9584 5.9584 8.6811 8.6811 10.9385 10.9385 12.4020 12.4020 k = 0.0341 0.5925 0.6926 ( 4566 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1656 -46.1656 -46.1631 -46.1631 -42.3846 -42.3846 -42.1150 -42.1150 -18.2308 -18.2308 -18.2172 -18.2172 -18.0655 -18.0655 -18.0483 -18.0483 -18.0258 -18.0258 -18.0239 -18.0239 -0.0167 -0.0167 2.5250 2.5250 3.2269 3.2269 3.3797 3.3797 3.9249 3.9249 4.0819 4.0819 5.3555 5.3555 5.9838 5.9838 8.6938 8.6938 10.9435 10.9435 12.3564 12.3564 k = 0.0398 0.5799 0.7065 ( 4578 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1656 -46.1656 -46.1631 -46.1631 -42.3846 -42.3846 -42.1151 -42.1151 -18.2309 -18.2309 -18.2173 -18.2173 -18.0656 -18.0656 -18.0483 -18.0483 -18.0262 -18.0262 -18.0241 -18.0241 -0.0128 -0.0128 2.5323 2.5323 3.2301 3.2301 3.3939 3.3939 3.9210 3.9210 4.0682 4.0682 5.3580 5.3580 6.0133 6.0133 8.7089 8.7089 10.9492 10.9492 12.2995 12.2995 k = 0.0455 0.5673 0.7203 ( 4578 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1656 -46.1656 -46.1631 -46.1631 -42.3846 -42.3846 -42.1152 -42.1152 -18.2310 -18.2310 -18.2174 -18.2174 -18.0656 -18.0656 -18.0483 -18.0483 -18.0267 -18.0267 -18.0243 -18.0243 -0.0083 -0.0083 2.5406 2.5406 3.2337 3.2337 3.4100 3.4100 3.9169 3.9169 4.0531 4.0531 5.3610 5.3610 6.0465 6.0465 8.7263 8.7263 10.9552 10.9552 12.2302 12.2302 k = 0.0511 0.5546 0.7342 ( 4578 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1656 -46.1656 -46.1630 -46.1630 -42.3847 -42.3847 -42.1153 -42.1153 -18.2311 -18.2311 -18.2175 -18.2175 -18.0656 -18.0656 -18.0482 -18.0482 -18.0271 -18.0271 -18.0246 -18.0246 -0.0032 -0.0032 2.5500 2.5500 3.2375 3.2375 3.4276 3.4276 3.9128 3.9128 4.0369 4.0369 5.3645 5.3645 6.0832 6.0832 8.7460 8.7460 10.9614 10.9614 12.1482 12.1482 k = 0.0568 0.5420 0.7480 ( 4580 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1655 -46.1655 -46.1630 -46.1630 -42.3847 -42.3847 -42.1154 -42.1154 -18.2311 -18.2311 -18.2176 -18.2176 -18.0656 -18.0656 -18.0482 -18.0482 -18.0277 -18.0277 -18.0249 -18.0249 0.0023 0.0023 2.5604 2.5604 3.2417 3.2417 3.4464 3.4464 3.9091 3.9091 4.0198 4.0198 5.3685 5.3685 6.1231 6.1231 8.7682 8.7682 10.9677 10.9677 12.0534 12.0534 k = 0.0625 0.5294 0.7619 ( 4578 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1655 -46.1655 -46.1630 -46.1630 -42.3847 -42.3847 -42.1155 -42.1155 -18.2312 -18.2312 -18.2176 -18.2176 -18.0657 -18.0657 -18.0481 -18.0481 -18.0282 -18.0282 -18.0252 -18.0252 0.0084 0.0084 2.5718 2.5718 3.2461 3.2461 3.4661 3.4661 3.9061 3.9061 4.0021 4.0021 5.3731 5.3731 6.1661 6.1661 8.7927 8.7927 10.9736 10.9736 11.9463 11.9463 k = 0.0682 0.5167 0.7758 ( 4576 PWs) bands (ev): -77.8778 -77.8778 -46.7240 -46.7240 -46.1655 -46.1655 -46.1629 -46.1629 -42.3847 -42.3847 -42.1156 -42.1156 -18.2313 -18.2313 -18.2178 -18.2178 -18.0657 -18.0657 -18.0481 -18.0481 -18.0288 -18.0288 -18.0256 -18.0256 0.0148 0.0148 2.5842 2.5842 3.2506 3.2506 3.4859 3.4859 3.9045 3.9045 3.9841 3.9841 5.3783 5.3783 6.2118 6.2118 8.8196 8.8196 10.9789 10.9789 11.8281 11.8281 k = 0.0739 0.5041 0.7896 ( 4580 PWs) bands (ev): -77.8778 -77.8778 -46.7240 -46.7240 -46.1655 -46.1655 -46.1629 -46.1629 -42.3848 -42.3848 -42.1157 -42.1157 -18.2314 -18.2314 -18.2179 -18.2179 -18.0657 -18.0657 -18.0480 -18.0480 -18.0295 -18.0295 -18.0260 -18.0260 0.0217 0.0217 2.5974 2.5974 3.2554 3.2554 3.5051 3.5051 3.9048 3.9048 3.9658 3.9658 5.3841 5.3841 6.2601 6.2601 8.8489 8.8489 10.9834 10.9834 11.7003 11.7003 k = 0.0795 0.4914 0.8035 ( 4584 PWs) bands (ev): -77.8778 -77.8778 -46.7241 -46.7241 -46.1655 -46.1655 -46.1629 -46.1629 -42.3848 -42.3848 -42.1159 -42.1159 -18.2316 -18.2316 -18.2180 -18.2180 -18.0658 -18.0658 -18.0480 -18.0480 -18.0301 -18.0301 -18.0264 -18.0264 0.0290 0.0290 2.6116 2.6116 3.2603 3.2603 3.5227 3.5227 3.9080 3.9080 3.9477 3.9477 5.3907 5.3907 6.3106 6.3106 8.8807 8.8807 10.9865 10.9865 11.5643 11.5643 k = 0.0852 0.4788 0.8173 ( 4588 PWs) bands (ev): -77.8778 -77.8778 -46.7241 -46.7241 -46.1654 -46.1654 -46.1629 -46.1629 -42.3849 -42.3849 -42.1161 -42.1161 -18.2317 -18.2317 -18.2182 -18.2182 -18.0658 -18.0658 -18.0479 -18.0479 -18.0308 -18.0308 -18.0268 -18.0268 0.0365 0.0365 2.6267 2.6267 3.2653 3.2653 3.5379 3.5379 3.9138 3.9138 3.9310 3.9310 5.3979 5.3979 6.3632 6.3632 8.9149 8.9149 10.9879 10.9879 11.4220 11.4220 k = 0.0909 0.4662 0.8312 ( 4586 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1654 -46.1654 -46.1628 -46.1628 -42.3849 -42.3849 -42.1162 -42.1162 -18.2318 -18.2318 -18.2183 -18.2183 -18.0659 -18.0659 -18.0478 -18.0478 -18.0316 -18.0316 -18.0272 -18.0272 0.0444 0.0444 2.6426 2.6426 3.2704 3.2704 3.5497 3.5497 3.9084 3.9084 3.9305 3.9305 5.4060 5.4060 6.4176 6.4176 8.9516 8.9516 10.9867 10.9867 11.2753 11.2753 k = 0.0966 0.4535 0.8450 ( 4582 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1654 -46.1654 -46.1628 -46.1628 -42.3849 -42.3849 -42.1163 -42.1163 -18.2319 -18.2319 -18.2184 -18.2184 -18.0660 -18.0660 -18.0477 -18.0477 -18.0323 -18.0323 -18.0276 -18.0276 0.0526 0.0526 2.6592 2.6592 3.2756 3.2756 3.5573 3.5573 3.8917 3.8917 3.9472 3.9472 5.4150 5.4150 6.4737 6.4737 8.9908 8.9908 10.9794 10.9794 11.1287 11.1287 k = 0.1023 0.4409 0.8589 ( 4584 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1653 -46.1653 -46.1627 -46.1627 -42.3850 -42.3850 -42.1165 -42.1165 -18.2321 -18.2321 -18.2186 -18.2186 -18.0660 -18.0660 -18.0477 -18.0477 -18.0330 -18.0330 -18.0281 -18.0281 0.0610 0.0610 2.6766 2.6766 3.2808 3.2808 3.5606 3.5606 3.8743 3.8743 3.9705 3.9705 5.4249 5.4249 6.5311 6.5311 9.0324 9.0324 10.9326 10.9326 11.0166 11.0166 k = 0.1080 0.4283 0.8727 ( 4576 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1653 -46.1653 -46.1627 -46.1627 -42.3850 -42.3850 -42.1167 -42.1167 -18.2322 -18.2322 -18.2187 -18.2187 -18.0661 -18.0661 -18.0476 -18.0476 -18.0337 -18.0337 -18.0285 -18.0285 0.0695 0.0695 2.6946 2.6946 3.2860 3.2860 3.5599 3.5599 3.8571 3.8571 3.9995 3.9995 5.4360 5.4360 6.5898 6.5898 9.0766 9.0766 10.7954 10.7954 10.9904 10.9904 k = 0.1136 0.4156 0.8866 ( 4574 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1653 -46.1653 -46.1627 -46.1627 -42.3850 -42.3850 -42.1168 -42.1168 -18.2324 -18.2324 -18.2189 -18.2189 -18.0661 -18.0661 -18.0475 -18.0475 -18.0345 -18.0345 -18.0290 -18.0290 0.0782 0.0782 2.7133 2.7133 3.2911 3.2911 3.5555 3.5555 3.8401 3.8401 4.0335 4.0335 5.4482 5.4482 6.6496 6.6496 9.1233 9.1233 10.6404 10.6404 10.9783 10.9783 k = 0.1193 0.4030 0.9004 ( 4576 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1652 -46.1652 -46.1626 -46.1626 -42.3851 -42.3851 -42.1170 -42.1170 -18.2325 -18.2325 -18.2190 -18.2190 -18.0662 -18.0662 -18.0474 -18.0474 -18.0352 -18.0352 -18.0294 -18.0294 0.0870 0.0870 2.7325 2.7325 3.2961 3.2961 3.5482 3.5482 3.8234 3.8234 4.0718 4.0718 5.4618 5.4618 6.7101 6.7101 9.1725 9.1725 10.4824 10.4824 10.9661 10.9661 k = 0.1250 0.3904 0.9143 ( 4572 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1652 -46.1652 -46.1626 -46.1626 -42.3851 -42.3851 -42.1171 -42.1171 -18.2327 -18.2327 -18.2192 -18.2192 -18.0663 -18.0663 -18.0473 -18.0473 -18.0360 -18.0360 -18.0299 -18.0299 0.0958 0.0958 2.7522 2.7522 3.3009 3.3009 3.5388 3.5388 3.8069 3.8069 4.1135 4.1135 5.4769 5.4769 6.7712 6.7712 9.2242 9.2242 10.3237 10.3237 10.9521 10.9521 k = 0.1307 0.3777 0.9281 ( 4572 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1652 -46.1652 -46.1625 -46.1625 -42.3851 -42.3851 -42.1173 -42.1173 -18.2328 -18.2328 -18.2194 -18.2194 -18.0663 -18.0663 -18.0473 -18.0473 -18.0367 -18.0367 -18.0303 -18.0303 0.1046 0.1046 2.7724 2.7724 3.3055 3.3055 3.5277 3.5277 3.7906 3.7906 4.1580 4.1580 5.4938 5.4938 6.8326 6.8326 9.2784 9.2784 10.1651 10.1651 10.9361 10.9361 k = 0.1364 0.3651 0.9420 ( 4568 PWs) bands (ev): -77.8777 -77.8777 -46.7245 -46.7245 -46.1651 -46.1651 -46.1625 -46.1625 -42.3852 -42.3852 -42.1175 -42.1175 -18.2330 -18.2330 -18.2195 -18.2195 -18.0664 -18.0664 -18.0472 -18.0472 -18.0374 -18.0374 -18.0307 -18.0307 0.1133 0.1133 2.7930 2.7930 3.3099 3.3099 3.5155 3.5155 3.7746 3.7746 4.2046 4.2046 5.5125 5.5125 6.8943 6.8943 9.3350 9.3350 10.0073 10.0073 10.9182 10.9182 k = 0.1420 0.3525 0.9558 ( 4576 PWs) bands (ev): -77.8777 -77.8777 -46.7245 -46.7245 -46.1651 -46.1651 -46.1625 -46.1625 -42.3852 -42.3852 -42.1177 -42.1177 -18.2332 -18.2332 -18.2198 -18.2198 -18.0665 -18.0665 -18.0471 -18.0471 -18.0382 -18.0382 -18.0312 -18.0312 0.1220 0.1220 2.8139 2.8139 3.3139 3.3139 3.5027 3.5027 3.7589 3.7589 4.2524 4.2524 5.5334 5.5334 6.9558 6.9558 9.3938 9.3938 9.8510 9.8510 10.8985 10.8985 k = 0.1477 0.3398 0.9697 ( 4578 PWs) bands (ev): -77.8776 -77.8776 -46.7246 -46.7246 -46.1651 -46.1651 -46.1624 -46.1624 -42.3853 -42.3853 -42.1178 -42.1178 -18.2333 -18.2333 -18.2199 -18.2199 -18.0666 -18.0666 -18.0471 -18.0471 -18.0389 -18.0389 -18.0316 -18.0316 0.1305 0.1305 2.8350 2.8350 3.3174 3.3174 3.4897 3.4897 3.7434 3.7434 4.3010 4.3010 5.5567 5.5567 7.0169 7.0169 9.4539 9.4539 9.6973 9.6973 10.8775 10.8775 k = 0.1534 0.3272 0.9835 ( 4576 PWs) bands (ev): -77.8776 -77.8776 -46.7246 -46.7246 -46.1650 -46.1650 -46.1624 -46.1624 -42.3853 -42.3853 -42.1180 -42.1180 -18.2335 -18.2335 -18.2201 -18.2201 -18.0667 -18.0667 -18.0470 -18.0470 -18.0396 -18.0396 -18.0320 -18.0320 0.1389 0.1389 2.8563 2.8563 3.3205 3.3205 3.4767 3.4767 3.7282 3.7282 4.3498 4.3498 5.5828 5.5828 7.0774 7.0774 9.4980 9.4980 9.5638 9.5638 10.8555 10.8555 k = 0.1591 0.3146 0.9974 ( 4578 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1650 -46.1650 -46.1624 -46.1624 -42.3853 -42.3853 -42.1181 -42.1181 -18.2336 -18.2336 -18.2203 -18.2203 -18.0668 -18.0668 -18.0470 -18.0470 -18.0403 -18.0403 -18.0324 -18.0324 0.1470 0.1470 2.8776 2.8776 3.3230 3.3230 3.4639 3.4639 3.7133 3.7133 4.3981 4.3981 5.6118 5.6118 7.1370 7.1370 9.3824 9.3824 9.5945 9.5945 10.8330 10.8330 k = 0.1648 0.3019 1.0113 ( 4580 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1650 -46.1650 -46.1623 -46.1623 -42.3854 -42.3854 -42.1183 -42.1183 -18.2338 -18.2338 -18.2205 -18.2205 -18.0669 -18.0669 -18.0469 -18.0469 -18.0409 -18.0409 -18.0327 -18.0327 0.1549 0.1549 2.8990 2.8990 3.3249 3.3249 3.4517 3.4517 3.6987 3.6987 4.4455 4.4455 5.6440 5.6440 7.1954 7.1954 9.2354 9.2354 9.6613 9.6613 10.8104 10.8104 k = 0.1705 0.2893 1.0251 ( 4584 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1649 -46.1649 -46.1623 -46.1623 -42.3854 -42.3854 -42.1184 -42.1184 -18.2340 -18.2340 -18.2207 -18.2207 -18.0671 -18.0671 -18.0469 -18.0469 -18.0415 -18.0415 -18.0330 -18.0330 0.1625 0.1625 2.9203 2.9203 3.3260 3.3260 3.4401 3.4401 3.6846 3.6846 4.4912 4.4912 5.6797 5.6797 7.2523 7.2523 9.0894 9.0894 9.7321 9.7321 10.7882 10.7882 k = 0.1761 0.2767 1.0390 ( 4586 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1649 -46.1649 -46.1623 -46.1623 -42.3855 -42.3855 -42.1186 -42.1186 -18.2342 -18.2342 -18.2209 -18.2209 -18.0671 -18.0671 -18.0469 -18.0469 -18.0421 -18.0421 -18.0333 -18.0333 0.1697 0.1697 2.9413 2.9413 3.3264 3.3264 3.4292 3.4292 3.6710 3.6710 4.5349 4.5349 5.7190 5.7190 7.3074 7.3074 8.9459 8.9459 9.8054 9.8054 10.7667 10.7667 k = 0.1818 0.2640 1.0528 ( 4586 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1649 -46.1649 -46.1622 -46.1622 -42.3855 -42.3855 -42.1187 -42.1187 -18.2343 -18.2343 -18.2210 -18.2210 -18.0672 -18.0672 -18.0468 -18.0468 -18.0427 -18.0427 -18.0336 -18.0336 0.1765 0.1765 2.9621 2.9621 3.3260 3.3260 3.4192 3.4192 3.6579 3.6579 4.5761 4.5761 5.7620 5.7620 7.3602 7.3602 8.8058 8.8058 9.8809 9.8809 10.7465 10.7465 k = 0.1875 0.2514 1.0667 ( 4580 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1649 -46.1649 -46.1622 -46.1622 -42.3855 -42.3855 -42.1188 -42.1188 -18.2344 -18.2344 -18.2212 -18.2212 -18.0673 -18.0673 -18.0468 -18.0468 -18.0432 -18.0432 -18.0339 -18.0339 0.1830 0.1830 2.9825 2.9825 3.3248 3.3248 3.4101 3.4101 3.6455 3.6455 4.6145 4.6145 5.8087 5.8087 7.4105 7.4105 8.6694 8.6694 9.9581 9.9581 10.7279 10.7279 k = 0.1932 0.2388 1.0805 ( 4582 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1648 -46.1648 -46.1622 -46.1622 -42.3855 -42.3855 -42.1189 -42.1189 -18.2345 -18.2345 -18.2213 -18.2213 -18.0674 -18.0674 -18.0468 -18.0468 -18.0436 -18.0436 -18.0341 -18.0341 0.1890 0.1890 3.0023 3.0023 3.3231 3.3231 3.4016 3.4016 3.6338 3.6338 4.6496 4.6496 5.8588 5.8588 7.4578 7.4578 8.5374 8.5374 10.0368 10.0368 10.7111 10.7111 k = 0.1989 0.2261 1.0944 ( 4586 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1622 -46.1622 -42.3856 -42.3856 -42.1191 -42.1191 -18.2347 -18.2347 -18.2215 -18.2215 -18.0675 -18.0675 -18.0467 -18.0467 -18.0441 -18.0441 -18.0343 -18.0343 0.1945 0.1945 3.0214 3.0214 3.3208 3.3208 3.3938 3.3938 3.6229 3.6229 4.6813 4.6813 5.9118 5.9118 7.5018 7.5018 8.4105 8.4105 10.1164 10.1164 10.6963 10.6963 k = 0.2045 0.2135 1.1082 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1621 -46.1621 -42.3856 -42.3856 -42.1192 -42.1192 -18.2348 -18.2348 -18.2216 -18.2216 -18.0676 -18.0676 -18.0467 -18.0467 -18.0445 -18.0445 -18.0345 -18.0345 0.1995 0.1995 3.0396 3.0396 3.3184 3.3184 3.3864 3.3864 3.6130 3.6130 4.7095 4.7095 5.9672 5.9672 7.5420 7.5420 8.2895 8.2895 10.1963 10.1963 10.6837 10.6837 k = 0.2102 0.2009 1.1221 ( 4582 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1621 -46.1621 -42.3856 -42.3856 -42.1192 -42.1192 -18.2349 -18.2349 -18.2217 -18.2217 -18.0677 -18.0677 -18.0467 -18.0467 -18.0448 -18.0448 -18.0347 -18.0347 0.2040 0.2040 3.0567 3.0567 3.3160 3.3160 3.3792 3.3792 3.6042 3.6042 4.7342 4.7342 6.0239 6.0239 7.5779 7.5779 8.1757 8.1757 10.2757 10.2757 10.6733 10.6733 k = 0.2159 0.1882 1.1359 ( 4584 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1621 -46.1621 -42.3856 -42.3856 -42.1193 -42.1193 -18.2350 -18.2350 -18.2218 -18.2218 -18.0677 -18.0677 -18.0466 -18.0466 -18.0451 -18.0451 -18.0348 -18.0348 0.2080 0.2080 3.0725 3.0725 3.3139 3.3139 3.3723 3.3723 3.5964 3.5964 4.7554 4.7554 6.0805 6.0805 7.6090 7.6090 8.0706 8.0706 10.3533 10.3533 10.6650 10.6650 k = 0.2216 0.1756 1.1498 ( 4576 PWs) bands (ev): -77.8775 -77.8775 -46.7250 -46.7250 -46.1647 -46.1647 -46.1621 -46.1621 -42.3856 -42.3856 -42.1193 -42.1193 -18.2350 -18.2350 -18.2219 -18.2219 -18.0678 -18.0678 -18.0466 -18.0466 -18.0454 -18.0454 -18.0349 -18.0349 0.2113 0.2113 3.0866 3.0866 3.3124 3.3124 3.3654 3.3654 3.5898 3.5898 4.7730 4.7730 6.1354 6.1354 7.6344 7.6344 7.9764 7.9764 10.4273 10.4273 10.6587 10.6587 k = 0.2273 0.1630 1.1636 ( 4578 PWs) bands (ev): -77.8775 -77.8775 -46.7250 -46.7250 -46.1647 -46.1647 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2351 -18.2351 -18.2219 -18.2219 -18.0678 -18.0678 -18.0466 -18.0466 -18.0456 -18.0456 -18.0350 -18.0350 0.2141 0.2141 3.0989 3.0989 3.3116 3.3116 3.3588 3.3588 3.5843 3.5843 4.7873 4.7873 6.1864 6.1864 7.6529 7.6529 7.8962 7.8962 10.4955 10.4955 10.6545 10.6545 k = 0.2330 0.1503 1.1775 ( 4582 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2220 -18.2220 -18.0679 -18.0679 -18.0466 -18.0466 -18.0458 -18.0458 -18.0351 -18.0351 0.2163 0.2163 3.1089 3.1089 3.3115 3.3115 3.3526 3.3526 3.5801 3.5801 4.7983 4.7983 6.2307 6.2307 7.6624 7.6624 7.8343 7.8343 10.5543 10.5543 10.6524 10.6524 k = 0.2386 0.1377 1.1913 ( 4578 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0466 -18.0466 -18.0459 -18.0459 -18.0351 -18.0351 0.2178 0.2178 3.1163 3.1163 3.3120 3.3120 3.3473 3.3473 3.5771 3.5771 4.8061 4.8061 6.2655 6.2655 7.6613 7.6613 7.7952 7.7952 10.5987 10.5987 10.6533 10.6533 k = 0.2443 0.1251 1.2052 ( 4582 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0466 -18.0466 -18.0460 -18.0460 -18.0352 -18.0352 0.2188 0.2188 3.1209 3.1209 3.3128 3.3128 3.3435 3.3435 3.5753 3.5753 4.8107 4.8107 6.2878 6.2878 7.6536 7.6536 7.7772 7.7772 10.6227 10.6227 10.6589 10.6589 k = 0.2500 0.1124 1.2190 ( 4592 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2353 -18.2353 -18.2221 -18.2221 -18.0680 -18.0680 -18.0466 -18.0466 -18.0460 -18.0460 -18.0352 -18.0352 0.2191 0.2191 3.1225 3.1225 3.3131 3.3131 3.3421 3.3421 3.5746 3.5746 4.8122 4.8122 6.2956 6.2956 7.6495 7.6495 7.7726 7.7726 10.6285 10.6285 10.6634 10.6634 k = 0.2500 0.1124 1.2190 ( 4592 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2353 -18.2353 -18.2221 -18.2221 -18.0680 -18.0680 -18.0466 -18.0466 -18.0460 -18.0460 -18.0352 -18.0352 0.2191 0.2191 3.1225 3.1225 3.3131 3.3131 3.3421 3.3421 3.5746 3.5746 4.8122 4.8122 6.2956 6.2956 7.6495 7.6495 7.7726 7.7726 10.6285 10.6285 10.6634 10.6634 k = 0.2656 0.1195 1.2113 ( 4578 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0468 -18.0468 -18.0458 -18.0458 -18.0352 -18.0352 0.2191 0.2191 3.1225 3.1225 3.3127 3.3127 3.3425 3.3425 3.5747 3.5747 4.8120 4.8120 6.2945 6.2945 7.6425 7.6425 7.7820 7.7820 10.5606 10.5606 10.7313 10.7313 k = 0.2812 0.1265 1.2036 ( 4574 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0471 -18.0471 -18.0454 -18.0454 -18.0352 -18.0352 0.2189 0.2189 3.1225 3.1225 3.3114 3.3114 3.3434 3.3434 3.5749 3.5749 4.8113 4.8113 6.2913 6.2913 7.6257 7.6257 7.8056 7.8056 10.4770 10.4770 10.8153 10.8153 k = 0.2969 0.1335 1.1959 ( 4576 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0475 -18.0475 -18.0450 -18.0450 -18.0352 -18.0352 0.2187 0.2187 3.1224 3.1224 3.3094 3.3094 3.3450 3.3450 3.5753 3.5753 4.8101 4.8101 6.2863 6.2863 7.6053 7.6053 7.8368 7.8368 10.3936 10.3936 10.9009 10.9009 k = 0.3125 0.1405 1.1882 ( 4584 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0479 -18.0479 -18.0446 -18.0446 -18.0353 -18.0353 0.2185 0.2185 3.1218 3.1218 3.3070 3.3070 3.3471 3.3471 3.5758 3.5758 4.8084 4.8084 6.2799 6.2799 7.5845 7.5845 7.8715 7.8715 10.3121 10.3121 10.9872 10.9872 k = 0.3281 0.1476 1.1805 ( 4588 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0678 -18.0678 -18.0482 -18.0482 -18.0442 -18.0442 -18.0354 -18.0354 0.2182 0.2182 3.1206 3.1206 3.3045 3.3045 3.3495 3.3495 3.5766 3.5766 4.8062 4.8062 6.2722 6.2722 7.5649 7.5649 7.9076 7.9076 10.2337 10.2338 11.0735 11.0735 k = 0.3438 0.1546 1.1728 ( 4590 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0678 -18.0678 -18.0485 -18.0485 -18.0438 -18.0438 -18.0355 -18.0355 0.2179 0.2179 3.1185 3.1185 3.3020 3.3020 3.3522 3.3522 3.5776 3.5776 4.8035 4.8035 6.2634 6.2634 7.5471 7.5471 7.9435 7.9435 10.1599 10.1599 11.1592 11.1592 k = 0.3594 0.1616 1.1651 ( 4588 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2351 -18.2351 -18.2221 -18.2221 -18.0677 -18.0677 -18.0488 -18.0488 -18.0434 -18.0434 -18.0356 -18.0356 0.2176 0.2176 3.1153 3.1153 3.2999 3.2999 3.3551 3.3551 3.5788 3.5788 4.8004 4.8004 6.2537 6.2537 7.5317 7.5317 7.9782 7.9782 10.0915 10.0915 11.2435 11.2435 k = 0.3750 0.1686 1.1574 ( 4584 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1194 -42.1194 -18.2351 -18.2351 -18.2221 -18.2221 -18.0676 -18.0676 -18.0491 -18.0491 -18.0430 -18.0430 -18.0357 -18.0357 0.2173 0.2173 3.1108 3.1108 3.2983 3.2983 3.3582 3.3582 3.5802 3.5802 4.7968 4.7968 6.2430 6.2430 7.5188 7.5188 8.0106 8.0106 10.0295 10.0295 11.3257 11.3257 k = 0.3906 0.1757 1.1497 ( 4585 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2351 -18.2351 -18.2221 -18.2221 -18.0676 -18.0676 -18.0493 -18.0493 -18.0426 -18.0426 -18.0358 -18.0358 0.2171 0.2171 3.1050 3.1050 3.2973 3.2973 3.3615 3.3615 3.5819 3.5819 4.7928 4.7928 6.2314 6.2314 7.5086 7.5086 8.0399 8.0399 9.9748 9.9748 11.4045 11.4045 k = 0.4062 0.1827 1.1420 ( 4589 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2350 -18.2350 -18.2221 -18.2221 -18.0675 -18.0675 -18.0495 -18.0495 -18.0423 -18.0423 -18.0359 -18.0359 0.2169 0.2169 3.0977 3.0977 3.2970 3.2970 3.3650 3.3650 3.5839 3.5839 4.7883 4.7883 6.2188 6.2188 7.5013 7.5013 8.0654 8.0654 9.9279 9.9279 11.4789 11.4789 k = 0.4219 0.1897 1.1343 ( 4592 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2350 -18.2350 -18.2221 -18.2221 -18.0675 -18.0675 -18.0497 -18.0497 -18.0420 -18.0420 -18.0360 -18.0360 0.2166 0.2166 3.0890 3.0890 3.2975 3.2975 3.3686 3.3686 3.5861 3.5861 4.7833 4.7833 6.2052 6.2052 7.4969 7.4969 8.0866 8.0866 9.8894 9.8894 11.5472 11.5472 k = 0.4375 0.1968 1.1266 ( 4590 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2349 -18.2349 -18.2221 -18.2221 -18.0674 -18.0674 -18.0498 -18.0498 -18.0417 -18.0417 -18.0361 -18.0361 0.2164 0.2164 3.0791 3.0791 3.2985 3.2985 3.3724 3.3724 3.5885 3.5885 4.7780 4.7780 6.1905 6.1905 7.4955 7.4955 8.1031 8.1031 9.8592 9.8592 11.6078 11.6078 k = 0.4531 0.2038 1.1189 ( 4588 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1194 -42.1194 -18.2349 -18.2349 -18.2221 -18.2221 -18.0673 -18.0673 -18.0498 -18.0498 -18.0415 -18.0415 -18.0361 -18.0361 0.2162 0.2162 3.0680 3.0680 3.3002 3.3002 3.3762 3.3762 3.5912 3.5912 4.7722 4.7722 6.1745 6.1745 7.4972 7.4972 8.1151 8.1151 9.8373 9.8373 11.6590 11.6590 k = 0.4688 0.2108 1.1112 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2348 -18.2348 -18.2221 -18.2221 -18.0673 -18.0673 -18.0499 -18.0499 -18.0414 -18.0414 -18.0362 -18.0362 0.2160 0.2160 3.0561 3.0561 3.3024 3.3024 3.3801 3.3801 3.5940 3.5940 4.7659 4.7659 6.1571 6.1571 7.5019 7.5019 8.1226 8.1226 9.8233 9.8233 11.6992 11.6992 k = 0.4844 0.2178 1.1035 ( 4599 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2348 -18.2348 -18.2221 -18.2221 -18.0672 -18.0672 -18.0499 -18.0499 -18.0413 -18.0413 -18.0362 -18.0362 0.2157 0.2157 3.0434 3.0434 3.3049 3.3049 3.3840 3.3840 3.5971 3.5971 4.7593 4.7593 6.1382 6.1382 7.5097 7.5097 8.1263 8.1263 9.8162 9.8162 11.7280 11.7280 k = 0.5000 0.2249 1.0958 ( 4600 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2347 -18.2347 -18.2221 -18.2221 -18.0672 -18.0672 -18.0498 -18.0498 -18.0413 -18.0413 -18.0362 -18.0362 0.2153 0.2153 3.0303 3.0303 3.3078 3.3078 3.3879 3.3879 3.6003 3.6003 4.7524 4.7524 6.1174 6.1174 7.5206 7.5206 8.1268 8.1268 9.8152 9.8152 11.7448 11.7448 k = 0.5000 0.2249 1.0958 ( 4600 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1621 -46.1621 -42.3857 -42.3857 -42.1193 -42.1193 -18.2347 -18.2347 -18.2221 -18.2221 -18.0672 -18.0672 -18.0498 -18.0498 -18.0413 -18.0413 -18.0362 -18.0362 0.2153 0.2153 3.0303 3.0303 3.3078 3.3078 3.3879 3.3879 3.6003 3.6003 4.7524 4.7524 6.1174 6.1174 7.5206 7.5206 8.1268 8.1268 9.8152 9.8152 11.7448 11.7448 k = 0.5000 0.2249 1.0762 ( 4604 PWs) bands (ev): -77.8776 -77.8776 -46.7251 -46.7251 -46.1648 -46.1648 -46.1622 -46.1622 -42.3857 -42.3857 -42.1192 -42.1192 -18.2346 -18.2346 -18.2220 -18.2220 -18.0671 -18.0671 -18.0496 -18.0496 -18.0412 -18.0412 -18.0361 -18.0361 0.2142 0.2142 2.9955 2.9955 3.3156 3.3156 3.3978 3.3978 3.6091 3.6091 4.7331 4.7331 6.0589 6.0589 7.5545 7.5545 8.1255 8.1255 9.8198 9.8198 11.7725 11.7725 k = 0.5000 0.2249 1.0566 ( 4596 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1622 -46.1622 -42.3856 -42.3856 -42.1191 -42.1191 -18.2343 -18.2343 -18.2220 -18.2220 -18.0669 -18.0669 -18.0494 -18.0494 -18.0412 -18.0412 -18.0359 -18.0359 0.2128 0.2128 2.9584 2.9584 3.3239 3.3239 3.4076 3.4076 3.6187 3.6187 4.7116 4.7116 5.9938 5.9938 7.5927 7.5927 8.1257 8.1257 9.8255 9.8255 11.8031 11.8031 k = 0.5000 0.2249 1.0371 ( 4596 PWs) bands (ev): -77.8776 -77.8776 -46.7250 -46.7250 -46.1648 -46.1648 -46.1622 -46.1622 -42.3856 -42.3856 -42.1190 -42.1190 -18.2341 -18.2341 -18.2219 -18.2219 -18.0667 -18.0667 -18.0491 -18.0491 -18.0411 -18.0411 -18.0357 -18.0357 0.2112 0.2112 2.9192 2.9192 3.3327 3.3327 3.4174 3.4174 3.6289 3.6289 4.6881 4.6881 5.9226 5.9226 7.6350 7.6350 8.1278 8.1278 9.8322 9.8322 11.8372 11.8372 k = 0.5000 0.2249 1.0175 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1648 -46.1648 -46.1623 -46.1623 -42.3856 -42.3856 -42.1189 -42.1189 -18.2339 -18.2339 -18.2218 -18.2218 -18.0665 -18.0665 -18.0489 -18.0489 -18.0411 -18.0411 -18.0354 -18.0354 0.2094 0.2094 2.8781 2.8781 3.3420 3.3420 3.4271 3.4271 3.6395 3.6395 4.6629 4.6629 5.8462 5.8462 7.6812 7.6812 8.1321 8.1321 9.8402 9.8402 11.8748 11.8748 k = 0.5000 0.2249 0.9979 ( 4584 PWs) bands (ev): -77.8776 -77.8776 -46.7249 -46.7249 -46.1648 -46.1648 -46.1623 -46.1623 -42.3855 -42.3855 -42.1188 -42.1188 -18.2336 -18.2336 -18.2217 -18.2217 -18.0663 -18.0663 -18.0485 -18.0485 -18.0410 -18.0410 -18.0352 -18.0352 0.2073 0.2073 2.8352 2.8352 3.3518 3.3518 3.4370 3.4370 3.6505 3.6505 4.6361 4.6361 5.7652 5.7652 7.7311 7.7311 8.1388 8.1388 9.8495 9.8495 11.9161 11.9161 k = 0.5000 0.2249 0.9784 ( 4576 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1648 -46.1648 -46.1623 -46.1623 -42.3855 -42.3855 -42.1186 -42.1186 -18.2332 -18.2332 -18.2217 -18.2217 -18.0660 -18.0660 -18.0482 -18.0482 -18.0409 -18.0409 -18.0349 -18.0349 0.2049 0.2049 2.7906 2.7906 3.3619 3.3619 3.4469 3.4469 3.6618 3.6618 4.6080 4.6080 5.6805 5.6805 7.7844 7.7844 8.1480 8.1480 9.8601 9.8601 11.9610 11.9610 k = 0.5000 0.2249 0.9588 ( 4580 PWs) bands (ev): -77.8776 -77.8776 -46.7248 -46.7248 -46.1648 -46.1648 -46.1624 -46.1624 -42.3854 -42.3854 -42.1185 -42.1185 -18.2329 -18.2329 -18.2216 -18.2216 -18.0658 -18.0658 -18.0479 -18.0479 -18.0409 -18.0409 -18.0346 -18.0346 0.2023 0.2023 2.7446 2.7446 3.3723 3.3723 3.4570 3.4570 3.6732 3.6732 4.5788 4.5788 5.5927 5.5927 7.8411 7.8411 8.1599 8.1599 9.8722 9.8722 12.0095 12.0095 k = 0.5000 0.2249 0.9392 ( 4584 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1648 -46.1648 -46.1625 -46.1625 -42.3854 -42.3854 -42.1184 -42.1184 -18.2326 -18.2326 -18.2215 -18.2215 -18.0655 -18.0655 -18.0476 -18.0476 -18.0409 -18.0409 -18.0342 -18.0342 0.1993 0.1993 2.6971 2.6971 3.3829 3.3829 3.4673 3.4673 3.6849 3.6849 4.5487 4.5487 5.5024 5.5024 7.9008 7.9008 8.1744 8.1744 9.8857 9.8857 12.0615 12.0615 k = 0.5000 0.2249 0.9197 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1648 -46.1648 -46.1625 -46.1625 -42.3854 -42.3854 -42.1182 -42.1182 -18.2323 -18.2323 -18.2214 -18.2214 -18.0653 -18.0653 -18.0472 -18.0472 -18.0408 -18.0408 -18.0339 -18.0339 0.1960 0.1960 2.6484 2.6484 3.3935 3.3935 3.4779 3.4779 3.6966 3.6966 4.5178 4.5178 5.4104 5.4104 7.9634 7.9634 8.1918 8.1918 9.9008 9.9008 12.1171 12.1171 k = 0.5000 0.2249 0.9001 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7247 -46.7247 -46.1648 -46.1648 -46.1626 -46.1626 -42.3853 -42.3853 -42.1181 -42.1181 -18.2320 -18.2320 -18.2213 -18.2213 -18.0650 -18.0650 -18.0469 -18.0469 -18.0408 -18.0408 -18.0335 -18.0335 0.1923 0.1923 2.5985 2.5985 3.4042 3.4042 3.4888 3.4888 3.7085 3.7085 4.4864 4.4864 5.3173 5.3173 8.0286 8.0286 8.2121 8.2121 9.9174 9.9174 12.1761 12.1761 k = 0.5000 0.2249 0.8805 ( 4592 PWs) bands (ev): -77.8776 -77.8776 -46.7246 -46.7246 -46.1648 -46.1648 -46.1627 -46.1627 -42.3853 -42.3853 -42.1179 -42.1179 -18.2316 -18.2316 -18.2212 -18.2212 -18.0646 -18.0646 -18.0465 -18.0465 -18.0407 -18.0407 -18.0331 -18.0331 0.1883 0.1883 2.5476 2.5476 3.4147 3.4147 3.5001 3.5001 3.7204 3.7204 4.4545 4.4545 5.2235 5.2235 8.0958 8.0958 8.2357 8.2357 9.9356 9.9356 12.2385 12.2385 k = 0.5000 0.2249 0.8610 ( 4592 PWs) bands (ev): -77.8777 -77.8777 -46.7246 -46.7246 -46.1648 -46.1648 -46.1628 -46.1628 -42.3852 -42.3852 -42.1177 -42.1177 -18.2312 -18.2312 -18.2211 -18.2211 -18.0643 -18.0643 -18.0462 -18.0462 -18.0406 -18.0406 -18.0326 -18.0326 0.1839 0.1839 2.4959 2.4959 3.4251 3.4251 3.5116 3.5116 3.7323 3.7323 4.4224 4.4224 5.1298 5.1298 8.1643 8.1643 8.2633 8.2633 9.9552 9.9552 12.3043 12.3043 k = 0.5000 0.2249 0.8414 ( 4588 PWs) bands (ev): -77.8777 -77.8777 -46.7245 -46.7245 -46.1649 -46.1649 -46.1628 -46.1628 -42.3852 -42.3852 -42.1175 -42.1175 -18.2308 -18.2308 -18.2209 -18.2209 -18.0639 -18.0639 -18.0458 -18.0458 -18.0405 -18.0405 -18.0321 -18.0321 0.1790 0.1790 2.4433 2.4433 3.4351 3.4351 3.5233 3.5233 3.7442 3.7442 4.3901 4.3901 5.0367 5.0367 8.2310 8.2310 8.2978 8.2978 9.9764 9.9764 12.3735 12.3735 k = 0.5000 0.2249 0.8218 ( 4584 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1649 -46.1649 -46.1629 -46.1629 -42.3851 -42.3851 -42.1173 -42.1173 -18.2303 -18.2303 -18.2208 -18.2208 -18.0635 -18.0635 -18.0455 -18.0455 -18.0403 -18.0403 -18.0316 -18.0316 0.1738 0.1738 2.3902 2.3902 3.4448 3.4448 3.5351 3.5351 3.7560 3.7560 4.3577 4.3577 4.9447 4.9447 8.2879 8.2879 8.3471 8.3471 9.9990 9.9990 12.4458 12.4458 k = 0.5000 0.2249 0.8023 ( 4584 PWs) bands (ev): -77.8777 -77.8777 -46.7244 -46.7244 -46.1649 -46.1649 -46.1630 -46.1630 -42.3851 -42.3851 -42.1171 -42.1171 -18.2299 -18.2299 -18.2207 -18.2207 -18.0631 -18.0631 -18.0453 -18.0453 -18.0402 -18.0402 -18.0310 -18.0310 0.1681 0.1681 2.3365 2.3365 3.4540 3.4540 3.5470 3.5470 3.7676 3.7676 4.3253 4.3253 4.8544 4.8544 8.3315 8.3315 8.4145 8.4145 10.0229 10.0229 12.5213 12.5213 k = 0.5000 0.2249 0.7827 ( 4576 PWs) bands (ev): -77.8777 -77.8777 -46.7243 -46.7243 -46.1649 -46.1649 -46.1630 -46.1630 -42.3850 -42.3850 -42.1169 -42.1169 -18.2294 -18.2294 -18.2205 -18.2205 -18.0627 -18.0627 -18.0450 -18.0450 -18.0399 -18.0399 -18.0304 -18.0304 0.1620 0.1620 2.2824 2.2824 3.4626 3.4626 3.5588 3.5588 3.7788 3.7788 4.2929 4.2929 4.7666 4.7666 8.3706 8.3706 8.4912 8.4912 10.0482 10.0482 12.6000 12.6000 k = 0.5000 0.2249 0.7631 ( 4572 PWs) bands (ev): -77.8777 -77.8777 -46.7242 -46.7242 -46.1649 -46.1649 -46.1631 -46.1631 -42.3849 -42.3849 -42.1167 -42.1167 -18.2289 -18.2289 -18.2203 -18.2203 -18.0622 -18.0622 -18.0448 -18.0448 -18.0397 -18.0397 -18.0298 -18.0298 0.1554 0.1554 2.2281 2.2281 3.4706 3.4706 3.5704 3.5704 3.7893 3.7893 4.2605 4.2605 4.6820 4.6820 8.4100 8.4100 8.5725 8.5725 10.0746 10.0746 12.6816 12.6816 k = 0.5000 0.2249 0.7436 ( 4574 PWs) bands (ev): -77.8777 -77.8777 -46.7241 -46.7241 -46.1649 -46.1649 -46.1632 -46.1632 -42.3849 -42.3849 -42.1165 -42.1165 -18.2285 -18.2285 -18.2202 -18.2202 -18.0618 -18.0618 -18.0446 -18.0446 -18.0394 -18.0394 -18.0292 -18.0292 0.1483 0.1483 2.1736 2.1736 3.4777 3.4777 3.5817 3.5817 3.7989 3.7989 4.2279 4.2279 4.6015 4.6015 8.4509 8.4509 8.6568 8.6568 10.1021 10.1021 12.7662 12.7662 k = 0.5000 0.2249 0.7240 ( 4578 PWs) bands (ev): -77.8777 -77.8777 -46.7241 -46.7241 -46.1650 -46.1650 -46.1633 -46.1633 -42.3848 -42.3848 -42.1162 -42.1162 -18.2280 -18.2280 -18.2201 -18.2201 -18.0613 -18.0613 -18.0445 -18.0445 -18.0391 -18.0391 -18.0286 -18.0286 0.1408 0.1408 2.1192 2.1192 3.4839 3.4839 3.5926 3.5926 3.8071 3.8071 4.1949 4.1949 4.5264 4.5264 8.4938 8.4938 8.7436 8.7436 10.1305 10.1305 12.8536 12.8536 k = 0.5000 0.2249 0.7044 ( 4578 PWs) bands (ev): -77.8778 -77.8778 -46.7240 -46.7240 -46.1650 -46.1650 -46.1634 -46.1634 -42.3848 -42.3848 -42.1160 -42.1160 -18.2275 -18.2275 -18.2199 -18.2199 -18.0608 -18.0608 -18.0444 -18.0444 -18.0387 -18.0387 -18.0280 -18.0280 0.1328 0.1328 2.0648 2.0648 3.4887 3.4887 3.6029 3.6029 3.8132 3.8132 4.1615 4.1615 4.4580 4.4580 8.5389 8.5389 8.8327 8.8327 10.1597 10.1597 12.9438 12.9438 k = 0.5000 0.2249 0.6849 ( 4574 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1650 -46.1650 -46.1634 -46.1634 -42.3847 -42.3847 -42.1158 -42.1158 -18.2270 -18.2270 -18.2197 -18.2197 -18.0604 -18.0604 -18.0443 -18.0443 -18.0382 -18.0382 -18.0273 -18.0273 0.1244 0.1244 2.0106 2.0106 3.4919 3.4919 3.6126 3.6126 3.8163 3.8163 4.1276 4.1276 4.3978 4.3978 8.5863 8.5863 8.9240 8.9240 10.1897 10.1897 13.0366 13.0366 k = 0.5000 0.2249 0.6653 ( 4572 PWs) bands (ev): -77.8778 -77.8778 -46.7239 -46.7239 -46.1650 -46.1650 -46.1635 -46.1635 -42.3846 -42.3846 -42.1155 -42.1155 -18.2265 -18.2265 -18.2196 -18.2196 -18.0598 -18.0598 -18.0443 -18.0443 -18.0378 -18.0378 -18.0266 -18.0266 0.1155 0.1155 1.9568 1.9568 3.4929 3.4929 3.6216 3.6216 3.8153 3.8153 4.0939 4.0939 4.3470 4.3470 8.6360 8.6360 9.0174 9.0174 10.2202 10.2202 13.1317 13.1317 k = 0.5000 0.2249 0.6457 ( 4572 PWs) bands (ev): -77.8778 -77.8778 -46.7238 -46.7238 -46.1650 -46.1650 -46.1636 -46.1636 -42.3846 -42.3846 -42.1153 -42.1153 -18.2260 -18.2260 -18.2194 -18.2194 -18.0593 -18.0593 -18.0442 -18.0442 -18.0374 -18.0374 -18.0259 -18.0259 0.1061 0.1061 1.9034 1.9034 3.4911 3.4911 3.6297 3.6297 3.8089 3.8089 4.0618 4.0618 4.3063 4.3063 8.6879 8.6879 9.1129 9.1129 10.2510 10.2510 13.2290 13.2290 k = 0.5000 0.2249 0.6262 ( 4574 PWs) bands (ev): -77.8778 -77.8778 -46.7237 -46.7237 -46.1651 -46.1651 -46.1637 -46.1637 -42.3845 -42.3845 -42.1151 -42.1151 -18.2255 -18.2255 -18.2192 -18.2192 -18.0588 -18.0588 -18.0442 -18.0442 -18.0369 -18.0369 -18.0253 -18.0253 0.0963 0.0963 1.8505 1.8505 3.4853 3.4853 3.6367 3.6367 3.7966 3.7966 4.0334 4.0334 4.2756 4.2756 8.7422 8.7422 9.2103 9.2103 10.2820 10.2820 13.3275 13.3275 k = 0.5000 0.2249 0.6066 ( 4574 PWs) bands (ev): -77.8778 -77.8778 -46.7236 -46.7236 -46.1651 -46.1651 -46.1638 -46.1638 -42.3845 -42.3845 -42.1149 -42.1149 -18.2250 -18.2250 -18.2190 -18.2190 -18.0583 -18.0583 -18.0442 -18.0442 -18.0365 -18.0365 -18.0246 -18.0246 0.0861 0.0861 1.7983 1.7983 3.4745 3.4745 3.6423 3.6423 3.7792 3.7792 4.0102 4.0102 4.2539 4.2539 8.7986 8.7986 9.3097 9.3097 10.3131 10.3131 13.4230 13.4230 k = 0.5000 0.2249 0.5870 ( 4568 PWs) bands (ev): -77.8778 -77.8778 -46.7235 -46.7235 -46.1651 -46.1651 -46.1639 -46.1639 -42.3844 -42.3844 -42.1146 -42.1146 -18.2245 -18.2245 -18.2188 -18.2188 -18.0577 -18.0577 -18.0442 -18.0442 -18.0359 -18.0359 -18.0239 -18.0239 0.0755 0.0755 1.7469 1.7469 3.4573 3.4573 3.6461 3.6461 3.7595 3.7595 3.9924 3.9924 4.2401 4.2401 8.8573 8.8573 9.4111 9.4111 10.3441 10.3441 13.4750 13.4750 k = 0.5000 0.2249 0.5674 ( 4570 PWs) bands (ev): -77.8779 -77.8779 -46.7235 -46.7235 -46.1651 -46.1651 -46.1639 -46.1639 -42.3843 -42.3843 -42.1144 -42.1144 -18.2240 -18.2240 -18.2186 -18.2186 -18.0572 -18.0572 -18.0442 -18.0442 -18.0355 -18.0355 -18.0232 -18.0232 0.0645 0.0645 1.6962 1.6962 3.4328 3.4328 3.6473 3.6473 3.7415 3.7415 3.9790 3.9790 4.2330 4.2330 8.9181 8.9181 9.5143 9.5143 10.3748 10.3748 13.4751 13.4751 k = 0.5000 0.2249 0.5479 ( 4566 PWs) bands (ev): -77.8779 -77.8779 -46.7234 -46.7234 -46.1651 -46.1651 -46.1640 -46.1640 -42.3843 -42.3843 -42.1142 -42.1142 -18.2235 -18.2235 -18.2184 -18.2184 -18.0567 -18.0567 -18.0442 -18.0442 -18.0350 -18.0350 -18.0225 -18.0225 0.0532 0.0532 1.6465 1.6465 3.4008 3.4008 3.6451 3.6451 3.7284 3.7284 3.9689 3.9689 4.2313 4.2313 8.9809 8.9809 9.6195 9.6195 10.4051 10.4051 13.4635 13.4635 k = 0.5000 0.2249 0.5283 ( 4572 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1652 -46.1652 -46.1641 -46.1641 -42.3842 -42.3842 -42.1140 -42.1140 -18.2231 -18.2231 -18.2183 -18.2183 -18.0562 -18.0562 -18.0442 -18.0442 -18.0345 -18.0345 -18.0219 -18.0219 0.0416 0.0416 1.5978 1.5978 3.3623 3.3623 3.6392 3.6392 3.7215 3.7215 3.9612 3.9612 4.2338 4.2338 9.0457 9.0457 9.7265 9.7265 10.4348 10.4348 13.4456 13.4456 k = 0.5000 0.2249 0.5087 ( 4568 PWs) bands (ev): -77.8779 -77.8779 -46.7233 -46.7233 -46.1652 -46.1652 -46.1642 -46.1642 -42.3841 -42.3841 -42.1137 -42.1137 -18.2226 -18.2226 -18.2181 -18.2181 -18.0556 -18.0556 -18.0442 -18.0442 -18.0340 -18.0340 -18.0211 -18.0211 0.0297 0.0297 1.5503 1.5503 3.3189 3.3189 3.6307 3.6307 3.7198 3.7198 3.9554 3.9554 4.2397 4.2397 9.1124 9.1124 9.8352 9.8352 10.4637 10.4637 13.4231 13.4231 k = 0.5000 0.2249 0.4892 ( 4568 PWs) bands (ev): -77.8779 -77.8779 -46.7232 -46.7232 -46.1652 -46.1652 -46.1643 -46.1643 -42.3841 -42.3841 -42.1135 -42.1135 -18.2221 -18.2221 -18.2179 -18.2179 -18.0551 -18.0551 -18.0442 -18.0442 -18.0335 -18.0335 -18.0205 -18.0205 0.0176 0.0176 1.5038 1.5038 3.2723 3.2723 3.6206 3.6206 3.7215 3.7215 3.9512 3.9512 4.2482 4.2482 9.1809 9.1809 9.9457 9.9457 10.4919 10.4919 13.3970 13.3970 k = 0.5000 0.2249 0.4696 ( 4568 PWs) bands (ev): -77.8779 -77.8779 -46.7231 -46.7231 -46.1652 -46.1652 -46.1643 -46.1643 -42.3840 -42.3840 -42.1133 -42.1133 -18.2216 -18.2216 -18.2177 -18.2177 -18.0545 -18.0545 -18.0443 -18.0443 -18.0331 -18.0331 -18.0198 -18.0198 0.0053 0.0053 1.4587 1.4587 3.2240 3.2240 3.6097 3.6097 3.7251 3.7251 3.9484 3.9484 4.2584 4.2584 9.2510 9.2510 10.0579 10.0579 10.5193 10.5193 13.3685 13.3685 k = 0.5000 0.2249 0.4500 ( 4560 PWs) bands (ev): -77.8779 -77.8779 -46.7230 -46.7230 -46.1653 -46.1653 -46.1644 -46.1644 -42.3839 -42.3839 -42.1131 -42.1131 -18.2211 -18.2211 -18.2175 -18.2175 -18.0540 -18.0540 -18.0442 -18.0442 -18.0326 -18.0326 -18.0191 -18.0191 -0.0072 -0.0072 1.4149 1.4149 3.1751 3.1751 3.5983 3.5983 3.7298 3.7298 3.9470 3.9470 4.2700 4.2700 9.3226 9.3226 10.1713 10.1713 10.5459 10.5459 13.3383 13.3383 k = 0.5000 0.2249 0.4305 ( 4568 PWs) bands (ev): -77.8780 -77.8780 -46.7230 -46.7230 -46.1653 -46.1653 -46.1645 -46.1645 -42.3839 -42.3839 -42.1129 -42.1129 -18.2207 -18.2207 -18.2173 -18.2173 -18.0535 -18.0535 -18.0443 -18.0443 -18.0322 -18.0322 -18.0185 -18.0185 -0.0197 -0.0197 1.3724 1.3724 3.1265 3.1265 3.5865 3.5865 3.7352 3.7352 3.9467 3.9467 4.2824 4.2824 9.3955 9.3955 10.2856 10.2856 10.5722 10.5722 13.3071 13.3071 k = 0.5000 0.2249 0.4109 ( 4560 PWs) bands (ev): -77.8780 -77.8780 -46.7229 -46.7229 -46.1653 -46.1653 -46.1645 -46.1645 -42.3838 -42.3838 -42.1127 -42.1127 -18.2202 -18.2202 -18.2171 -18.2171 -18.0529 -18.0529 -18.0443 -18.0443 -18.0318 -18.0318 -18.0178 -18.0178 -0.0322 -0.0322 1.3314 1.3314 3.0787 3.0787 3.5745 3.5745 3.7410 3.7410 3.9474 3.9474 4.2953 4.2953 9.4696 9.4696 10.3991 10.3991 10.5996 10.5996 13.2754 13.2754 k = 0.5000 0.2249 0.3913 ( 4568 PWs) bands (ev): -77.8780 -77.8780 -46.7228 -46.7228 -46.1654 -46.1654 -46.1646 -46.1646 -42.3838 -42.3838 -42.1125 -42.1125 -18.2198 -18.2198 -18.2170 -18.2170 -18.0524 -18.0524 -18.0443 -18.0443 -18.0314 -18.0314 -18.0172 -18.0172 -0.0447 -0.0447 1.2920 1.2920 3.0323 3.0323 3.5623 3.5623 3.7470 3.7470 3.9489 3.9489 4.3085 4.3085 9.5446 9.5446 10.5061 10.5061 10.6340 10.6340 13.2436 13.2436 k = 0.5000 0.2249 0.3718 ( 4566 PWs) bands (ev): -77.8780 -77.8780 -46.7228 -46.7228 -46.1654 -46.1654 -46.1647 -46.1647 -42.3837 -42.3837 -42.1123 -42.1123 -18.2194 -18.2194 -18.2168 -18.2168 -18.0520 -18.0520 -18.0443 -18.0443 -18.0309 -18.0309 -18.0166 -18.0166 -0.0572 -0.0572 1.2541 1.2541 2.9874 2.9874 3.5501 3.5501 3.7531 3.7531 3.9510 3.9510 4.3218 4.3218 9.6202 9.6202 10.5846 10.5846 10.6970 10.6970 13.2122 13.2122 k = 0.5000 0.2249 0.3522 ( 4564 PWs) bands (ev): -77.8780 -77.8780 -46.7227 -46.7227 -46.1654 -46.1654 -46.1648 -46.1648 -42.3837 -42.3837 -42.1121 -42.1121 -18.2190 -18.2190 -18.2166 -18.2166 -18.0515 -18.0515 -18.0443 -18.0443 -18.0305 -18.0305 -18.0161 -18.0161 -0.0694 -0.0694 1.2178 1.2178 2.9444 2.9444 3.5379 3.5379 3.7591 3.7591 3.9538 3.9538 4.3349 4.3349 9.6963 9.6963 10.6235 10.6235 10.7997 10.7997 13.1813 13.1813 k = 0.5000 0.2249 0.3326 ( 4568 PWs) bands (ev): -77.8780 -77.8780 -46.7226 -46.7226 -46.1654 -46.1654 -46.1648 -46.1648 -42.3836 -42.3836 -42.1120 -42.1120 -18.2186 -18.2186 -18.2164 -18.2164 -18.0510 -18.0510 -18.0443 -18.0443 -18.0302 -18.0302 -18.0155 -18.0155 -0.0815 -0.0815 1.1833 1.1833 2.9034 2.9034 3.5260 3.5260 3.7651 3.7651 3.9569 3.9569 4.3478 4.3478 9.7725 9.7725 10.6467 10.6467 10.9183 10.9183 13.1512 13.1512 k = 0.5000 0.2249 0.3131 ( 4572 PWs) bands (ev): -77.8780 -77.8780 -46.7226 -46.7226 -46.1655 -46.1655 -46.1649 -46.1649 -42.3836 -42.3836 -42.1118 -42.1118 -18.2183 -18.2183 -18.2163 -18.2163 -18.0506 -18.0506 -18.0443 -18.0443 -18.0299 -18.0299 -18.0150 -18.0150 -0.0933 -0.0933 1.1504 1.1504 2.8646 2.8646 3.5143 3.5143 3.7710 3.7710 3.9603 3.9603 4.3603 4.3603 9.8485 9.8485 10.6644 10.6644 11.0423 11.0423 13.1221 13.1221 k = 0.5000 0.2249 0.2935 ( 4572 PWs) bands (ev): -77.8780 -77.8780 -46.7225 -46.7225 -46.1655 -46.1655 -46.1649 -46.1649 -42.3836 -42.3836 -42.1116 -42.1116 -18.2179 -18.2179 -18.2161 -18.2161 -18.0502 -18.0502 -18.0443 -18.0443 -18.0295 -18.0295 -18.0145 -18.0145 -0.1047 -0.1047 1.1194 1.1194 2.8279 2.8279 3.5030 3.5030 3.7767 3.7767 3.9639 3.9639 4.3724 4.3724 9.9239 9.9239 10.6791 10.6791 11.1693 11.1693 13.0940 13.0940 k = 0.5000 0.2249 0.2739 ( 4568 PWs) bands (ev): -77.8781 -77.8781 -46.7225 -46.7225 -46.1655 -46.1655 -46.1650 -46.1650 -42.3835 -42.3835 -42.1115 -42.1115 -18.2176 -18.2176 -18.2160 -18.2160 -18.0498 -18.0498 -18.0443 -18.0443 -18.0291 -18.0291 -18.0140 -18.0140 -0.1157 -0.1157 1.0901 1.0901 2.7935 2.7935 3.4922 3.4922 3.7821 3.7821 3.9676 3.9676 4.3839 4.3839 9.9983 9.9983 10.6917 10.6917 11.2984 11.2984 13.0672 13.0672 k = 0.5000 0.2249 0.2544 ( 4566 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1655 -46.1655 -46.1650 -46.1650 -42.3835 -42.3835 -42.1113 -42.1113 -18.2173 -18.2173 -18.2158 -18.2158 -18.0494 -18.0494 -18.0443 -18.0443 -18.0288 -18.0288 -18.0136 -18.0136 -0.1263 -0.1263 1.0627 1.0627 2.7615 2.7615 3.4819 3.4819 3.7873 3.7873 3.9714 3.9714 4.3949 4.3949 10.0713 10.0713 10.7025 10.7025 11.4291 11.4291 13.0416 13.0416 k = 0.5000 0.2249 0.2348 ( 4570 PWs) bands (ev): -77.8781 -77.8781 -46.7224 -46.7224 -46.1655 -46.1655 -46.1651 -46.1651 -42.3834 -42.3834 -42.1112 -42.1112 -18.2170 -18.2170 -18.2157 -18.2157 -18.0491 -18.0491 -18.0443 -18.0443 -18.0286 -18.0286 -18.0131 -18.0131 -0.1364 -0.1364 1.0372 1.0372 2.7317 2.7317 3.4722 3.4722 3.7922 3.7922 3.9750 3.9750 4.4051 4.4051 10.1425 10.1425 10.7117 10.7117 11.5611 11.5611 13.0174 13.0174 k = 0.5000 0.2249 0.2152 ( 4566 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1655 -46.1655 -46.1651 -46.1651 -42.3834 -42.3834 -42.1111 -42.1111 -18.2167 -18.2167 -18.2156 -18.2156 -18.0487 -18.0487 -18.0443 -18.0443 -18.0283 -18.0283 -18.0127 -18.0127 -0.1459 -0.1459 1.0136 1.0136 2.7044 2.7044 3.4631 3.4631 3.7968 3.7968 3.9786 3.9786 4.4147 4.4147 10.2112 10.2112 10.7196 10.7196 11.6940 11.6940 12.9947 12.9947 k = 0.5000 0.2249 0.1957 ( 4562 PWs) bands (ev): -77.8781 -77.8781 -46.7223 -46.7223 -46.1655 -46.1655 -46.1652 -46.1652 -42.3833 -42.3833 -42.1110 -42.1110 -18.2165 -18.2165 -18.2154 -18.2154 -18.0484 -18.0484 -18.0443 -18.0443 -18.0280 -18.0280 -18.0123 -18.0123 -0.1547 -0.1547 0.9920 0.9920 2.6794 2.6794 3.4547 3.4547 3.8011 3.8011 3.9820 3.9820 4.4235 4.4235 10.2769 10.2769 10.7262 10.7262 11.8274 11.8274 12.9736 12.9736 k = 0.5000 0.2249 0.1761 ( 4564 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1656 -46.1656 -46.1652 -46.1652 -42.3833 -42.3833 -42.1109 -42.1109 -18.2163 -18.2163 -18.2153 -18.2153 -18.0481 -18.0481 -18.0442 -18.0442 -18.0278 -18.0278 -18.0120 -18.0120 -0.1629 -0.1629 0.9723 0.9723 2.6568 2.6568 3.4470 3.4470 3.8051 3.8051 3.9852 3.9852 4.4316 4.4316 10.3391 10.3391 10.7318 10.7318 11.9608 11.9608 12.9543 12.9543 k = 0.5000 0.2249 0.1565 ( 4564 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1656 -46.1656 -46.1653 -46.1653 -42.3833 -42.3833 -42.1108 -42.1108 -18.2161 -18.2161 -18.2152 -18.2152 -18.0479 -18.0479 -18.0442 -18.0442 -18.0276 -18.0276 -18.0117 -18.0117 -0.1704 -0.1704 0.9547 0.9547 2.6366 2.6366 3.4401 3.4401 3.8086 3.8086 3.9882 3.9882 4.4389 4.4389 10.3972 10.3972 10.7363 10.7363 12.0934 12.0934 12.9368 12.9368 k = 0.5000 0.2249 0.1370 ( 4562 PWs) bands (ev): -77.8781 -77.8781 -46.7222 -46.7222 -46.1656 -46.1656 -46.1653 -46.1653 -42.3833 -42.3833 -42.1107 -42.1107 -18.2159 -18.2159 -18.2151 -18.2151 -18.0476 -18.0476 -18.0442 -18.0442 -18.0274 -18.0274 -18.0114 -18.0114 -0.1771 -0.1771 0.9391 0.9391 2.6188 2.6188 3.4339 3.4339 3.8118 3.8118 3.9909 3.9909 4.4453 4.4453 10.4505 10.4505 10.7399 10.7399 12.2241 12.2241 12.9215 12.9215 k = 0.5000 0.2249 0.1174 ( 4546 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1656 -46.1656 -46.1653 -46.1653 -42.3832 -42.3832 -42.1106 -42.1106 -18.2156 -18.2156 -18.2150 -18.2150 -18.0474 -18.0474 -18.0442 -18.0442 -18.0272 -18.0272 -18.0111 -18.0111 -0.1829 -0.1829 0.9255 0.9255 2.6034 2.6034 3.4286 3.4286 3.8146 3.8146 3.9933 3.9933 4.4510 4.4510 10.4985 10.4985 10.7427 10.7427 12.3514 12.3514 12.9087 12.9087 k = 0.5000 0.2249 0.0978 ( 4544 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1656 -46.1656 -46.1653 -46.1653 -42.3832 -42.3832 -42.1105 -42.1105 -18.2155 -18.2155 -18.2149 -18.2149 -18.0472 -18.0472 -18.0442 -18.0442 -18.0271 -18.0271 -18.0109 -18.0109 -0.1880 -0.1880 0.9140 0.9140 2.5903 2.5903 3.4240 3.4240 3.8170 3.8170 3.9954 3.9954 4.4558 4.4558 10.5405 10.5405 10.7448 10.7448 12.4726 12.4726 12.8990 12.8990 k = 0.5000 0.2249 0.0783 ( 4548 PWs) bands (ev): -77.8781 -77.8781 -46.7221 -46.7221 -46.1656 -46.1656 -46.1654 -46.1654 -42.3832 -42.3832 -42.1104 -42.1104 -18.2154 -18.2154 -18.2149 -18.2149 -18.0471 -18.0471 -18.0442 -18.0442 -18.0270 -18.0270 -18.0107 -18.0107 -0.1921 -0.1921 0.9045 0.9045 2.5796 2.5796 3.4202 3.4202 3.8189 3.8189 3.9971 3.9971 4.4597 4.4597 10.5759 10.5759 10.7462 10.7462 12.5835 12.5835 12.8937 12.8937 k = 0.5000 0.2249 0.0587 ( 4544 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3832 -42.3832 -42.1104 -42.1104 -18.2153 -18.2153 -18.2148 -18.2148 -18.0469 -18.0469 -18.0442 -18.0442 -18.0269 -18.0269 -18.0106 -18.0106 -0.1954 -0.1954 0.8972 0.8972 2.5714 2.5714 3.4173 3.4173 3.8205 3.8205 3.9984 3.9984 4.4628 4.4628 10.6042 10.6042 10.7471 10.7471 12.6773 12.6773 12.8952 12.8952 k = 0.5000 0.2249 0.0391 ( 4544 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3832 -42.3832 -42.1104 -42.1104 -18.2153 -18.2153 -18.2148 -18.2148 -18.0468 -18.0468 -18.0442 -18.0442 -18.0269 -18.0269 -18.0105 -18.0105 -0.1977 -0.1977 0.8919 0.8919 2.5654 2.5654 3.4152 3.4152 3.8215 3.8215 3.9994 3.9994 4.4649 4.4649 10.6249 10.6249 10.7476 10.7476 12.7438 12.7438 12.9069 12.9069 k = 0.5000 0.2249 0.0196 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3831 -42.3831 -42.1103 -42.1103 -18.2152 -18.2152 -18.2148 -18.2148 -18.0468 -18.0468 -18.0442 -18.0442 -18.0268 -18.0268 -18.0104 -18.0104 -0.1991 -0.1991 0.8887 0.8887 2.5619 2.5619 3.4139 3.4139 3.8222 3.8222 4.0000 4.0000 4.4663 4.4663 10.6376 10.6376 10.7477 10.7477 12.7778 12.7778 12.9256 12.9256 k = 0.5000 0.2249-0.0000 ( 4540 PWs) bands (ev): -77.8781 -77.8781 -46.7220 -46.7220 -46.1656 -46.1656 -46.1654 -46.1654 -42.3831 -42.3831 -42.1103 -42.1103 -18.2152 -18.2152 -18.2148 -18.2148 -18.0468 -18.0468 -18.0442 -18.0442 -18.0268 -18.0268 -18.0104 -18.0104 -0.1996 -0.1996 0.8877 0.8877 2.5607 2.5607 3.4135 3.4135 3.8224 3.8224 4.0002 4.0002 4.4667 4.4667 10.6418 10.6418 10.7477 10.7477 12.7870 12.7870 12.9351 12.9351 k = 0.0000 0.0000 1.2190 ( 4588 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1648 -46.1648 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0504 -18.0504 -18.0414 -18.0414 -18.0365 -18.0365 0.2185 0.2185 3.1630 3.1630 3.2721 3.2721 3.3450 3.3450 3.5715 3.5715 4.8121 4.8121 6.2975 6.2975 7.4183 7.4183 8.1419 8.1419 9.8033 9.8033 11.5279 11.5279 k = 0.0179 0.0080 1.2190 ( 4582 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0504 -18.0504 -18.0414 -18.0414 -18.0364 -18.0364 0.2185 0.2185 3.1624 3.1624 3.2727 3.2727 3.3450 3.3450 3.5715 3.5715 4.8121 4.8121 6.2975 6.2975 7.4199 7.4199 8.1383 8.1383 9.8091 9.8091 11.5301 11.5301 k = 0.0357 0.0161 1.2190 ( 4582 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0503 -18.0503 -18.0415 -18.0415 -18.0364 -18.0364 0.2185 0.2185 3.1604 3.1604 3.2746 3.2746 3.3451 3.3451 3.5716 3.5716 4.8121 4.8121 6.2974 6.2974 7.4245 7.4245 8.1277 8.1277 9.8265 9.8265 11.5365 11.5365 k = 0.0536 0.0241 1.2190 ( 4584 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0675 -18.0675 -18.0502 -18.0502 -18.0417 -18.0417 -18.0363 -18.0363 0.2186 0.2186 3.1573 3.1573 3.2775 3.2775 3.3451 3.3451 3.5718 3.5718 4.8121 4.8121 6.2973 6.2973 7.4322 7.4322 8.1105 8.1105 9.8548 9.8548 11.5471 11.5471 k = 0.0714 0.0321 1.2190 ( 4584 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0676 -18.0676 -18.0500 -18.0500 -18.0420 -18.0420 -18.0361 -18.0361 0.2186 0.2186 3.1535 3.1535 3.2812 3.2812 3.3450 3.3450 3.5720 3.5720 4.8121 4.8121 6.2972 6.2972 7.4430 7.4430 8.0875 8.0875 9.8933 9.8933 11.5384 11.5384 k = 0.0893 0.0402 1.2190 ( 4592 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0676 -18.0676 -18.0498 -18.0498 -18.0424 -18.0424 -18.0360 -18.0360 0.2187 0.2187 3.1492 3.1492 3.2854 3.2854 3.3449 3.3449 3.5722 3.5722 4.8121 4.8121 6.2970 6.2970 7.4567 7.4567 8.0596 8.0596 9.9412 9.9412 11.4703 11.4703 k = 0.1071 0.0482 1.2190 ( 4584 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0677 -18.0677 -18.0495 -18.0495 -18.0427 -18.0427 -18.0359 -18.0359 0.2187 0.2187 3.1447 3.1447 3.2898 3.2898 3.3448 3.3448 3.5726 3.5726 4.8122 4.8122 6.2968 6.2968 7.4732 7.4732 8.0278 8.0278 9.9975 9.9975 11.3930 11.3930 k = 0.1250 0.0562 1.2190 ( 4588 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0677 -18.0677 -18.0492 -18.0492 -18.0431 -18.0431 -18.0358 -18.0358 0.2188 0.2188 3.1402 3.1402 3.2942 3.2942 3.3446 3.3446 3.5729 3.5729 4.8122 4.8122 6.2965 6.2965 7.4924 7.4924 7.9930 7.9930 10.0611 10.0611 11.3088 11.3088 k = 0.1429 0.0642 1.2190 ( 4586 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2222 -18.2222 -18.0677 -18.0677 -18.0489 -18.0489 -18.0435 -18.0435 -18.0357 -18.0357 0.2189 0.2189 3.1359 3.1359 3.2985 3.2985 3.3443 3.3443 3.5733 3.5733 4.8122 4.8122 6.2963 6.2963 7.5142 7.5142 7.9563 7.9563 10.1312 10.1312 11.2194 11.2194 k = 0.1607 0.0723 1.2190 ( 4572 PWs) bands (ev): -77.8775 -77.8775 -46.7250 -46.7250 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0677 -18.0677 -18.0485 -18.0485 -18.0439 -18.0439 -18.0354 -18.0354 0.2189 0.2189 3.1321 3.1321 3.3025 3.3025 3.3440 3.3440 3.5737 3.5737 4.8122 4.8122 6.2961 6.2961 7.5383 7.5383 7.9186 7.9186 10.2070 10.2070 11.1265 11.1265 k = 0.1786 0.0803 1.2190 ( 4570 PWs) bands (ev): -77.8775 -77.8775 -46.7250 -46.7250 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0678 -18.0678 -18.0481 -18.0481 -18.0443 -18.0443 -18.0353 -18.0353 0.2190 0.2190 3.1288 3.1288 3.3061 3.3061 3.3435 3.3435 3.5740 3.5740 4.8123 4.8123 6.2959 6.2959 7.5641 7.5641 7.8808 7.8808 10.2876 10.2876 11.0314 11.0314 k = 0.1964 0.0883 1.2190 ( 4570 PWs) bands (ev): -77.8775 -77.8775 -46.7250 -46.7250 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0678 -18.0678 -18.0476 -18.0476 -18.0448 -18.0448 -18.0352 -18.0352 0.2190 0.2190 3.1261 3.1261 3.3090 3.3090 3.3430 3.3430 3.5743 3.5743 4.8122 4.8122 6.2958 6.2958 7.5911 7.5911 7.8441 7.8441 10.3722 10.3722 10.9350 10.9350 k = 0.2143 0.0964 1.2190 ( 4574 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0472 -18.0472 -18.0453 -18.0453 -18.0352 -18.0352 0.2191 0.2191 3.1241 3.1241 3.3113 3.3113 3.3426 3.3426 3.5745 3.5745 4.8123 4.8123 6.2957 6.2957 7.6176 7.6176 7.8104 7.8104 10.4603 10.4603 10.8385 10.8385 k = 0.2321 0.1044 1.2190 ( 4574 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2352 -18.2352 -18.2221 -18.2221 -18.0679 -18.0679 -18.0468 -18.0468 -18.0457 -18.0457 -18.0352 -18.0352 0.2191 0.2191 3.1229 3.1229 3.3127 3.3127 3.3422 3.3422 3.5746 3.5746 4.8123 4.8123 6.2956 6.2956 7.6398 7.6398 7.7838 7.7838 10.5508 10.5508 10.7429 10.7429 k = 0.2500 0.1124 1.2190 ( 4592 PWs) bands (ev): -77.8775 -77.8775 -46.7251 -46.7251 -46.1647 -46.1647 -46.1620 -46.1620 -42.3857 -42.3857 -42.1195 -42.1195 -18.2353 -18.2353 -18.2221 -18.2221 -18.0680 -18.0680 -18.0466 -18.0466 -18.0460 -18.0460 -18.0352 -18.0352 0.2191 0.2191 3.1225 3.1225 3.3131 3.3131 3.3421 3.3421 3.5746 3.5746 4.8122 4.8122 6.2956 6.2956 7.6495 7.6495 7.7726 7.7726 10.6285 10.6285 10.6634 10.6634 Writing output data file Na2H2Pd.save init_run : 0.35s CPU 0.62s WALL ( 1 calls) electrons : 175.89s CPU 178.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 175.88s CPU 177.99s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.03s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 382 calls) cegterg : 158.22s CPU 159.65s WALL ( 384 calls) Called by sum_band: Called by *egterg: h_psi : 121.60s CPU 122.77s WALL ( 5813 calls) s_psi : 1.28s CPU 1.34s WALL ( 5813 calls) g_psi : 0.16s CPU 0.17s WALL ( 5047 calls) cdiaghg : 39.89s CPU 40.39s WALL ( 5429 calls) cegterg:over : 4.06s CPU 4.07s WALL ( 5047 calls) cegterg:upda : 4.22s CPU 4.30s WALL ( 5047 calls) cegterg:last : 1.58s CPU 1.50s WALL ( 823 calls) cdiaghg:chol : 2.28s CPU 2.31s WALL ( 5429 calls) cdiaghg:inve : 1.57s CPU 1.51s WALL ( 5429 calls) cdiaghg:para : 2.40s CPU 2.45s WALL ( 10858 calls) Called by h_psi: h_psi:vloc : 117.65s CPU 118.88s WALL ( 5813 calls) h_psi:vnl : 3.79s CPU 3.72s WALL ( 5813 calls) add_vuspsi : 1.78s CPU 1.74s WALL ( 5813 calls) General routines calbec : 2.00s CPU 1.96s WALL ( 5813 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 107.38s CPU 108.59s WALL ( 549820 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.24s WALL ( 764 calls) Parallel routines fft_scatter : 31.65s CPU 31.78s WALL ( 549843 calls) PWSCF : 3m13.94s CPU 3m34.47s WALL This run was terminated on: 19:17:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=