Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:12:42 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: ./Sb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 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 42 19 5 1498 435 72 Max 43 20 6 1500 453 78 Sum 1535 687 209 53963 16073 2715 bravais-lattice index = 14 lattice parameter (alat) = 11.3473 a.u. unit-cell volume = 848.7253 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 27.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.347338 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.105404 celldm(5)= -0.105404 celldm(6)= -0.789192 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.789192 0.614146 0.000000 ) a(3) = ( -0.105404 -0.307073 0.945831 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.285024 0.528636 ) b(2) = ( 0.000000 1.628277 0.528636 ) b(3) = ( 0.000000 0.000000 1.057271 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.8945962 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.3070730 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.1054038 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.3070730 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0000000 0.0000000 0.0188798), wk = 0.0033445 k( 3) = ( 0.0000000 0.0000000 0.0377597), wk = 0.0033445 k( 4) = ( 0.0000000 0.0000000 0.0566395), wk = 0.0033445 k( 5) = ( 0.0000000 0.0000000 0.0755194), wk = 0.0033445 k( 6) = ( 0.0000000 0.0000000 0.0943992), wk = 0.0033445 k( 7) = ( 0.0000000 0.0000000 0.1132791), wk = 0.0033445 k( 8) = ( 0.0000000 0.0000000 0.1321589), wk = 0.0033445 k( 9) = ( 0.0000000 0.0000000 0.1510388), wk = 0.0033445 k( 10) = ( 0.0000000 0.0000000 0.1699186), wk = 0.0033445 k( 11) = ( 0.0000000 0.0000000 0.1887985), wk = 0.0033445 k( 12) = ( 0.0000000 0.0000000 0.2076783), wk = 0.0033445 k( 13) = ( 0.0000000 0.0000000 0.2265581), wk = 0.0033445 k( 14) = ( 0.0000000 0.0000000 0.2454380), wk = 0.0033445 k( 15) = ( 0.0000000 0.0000000 0.2643178), wk = 0.0033445 k( 16) = ( 0.0000000 0.0000000 0.2831977), wk = 0.0033445 k( 17) = ( 0.0000000 0.0000000 0.3020775), wk = 0.0033445 k( 18) = ( 0.0000000 0.0000000 0.3209574), wk = 0.0033445 k( 19) = ( 0.0000000 0.0000000 0.3398372), wk = 0.0033445 k( 20) = ( 0.0000000 0.0000000 0.3587171), wk = 0.0033445 k( 21) = ( 0.0000000 0.0000000 0.3775969), wk = 0.0033445 k( 22) = ( 0.0000000 0.0000000 0.3964768), wk = 0.0033445 k( 23) = ( 0.0000000 0.0000000 0.4153566), wk = 0.0033445 k( 24) = ( 0.0000000 0.0000000 0.4342365), wk = 0.0033445 k( 25) = ( 0.0000000 0.0000000 0.4531163), wk = 0.0033445 k( 26) = ( 0.0000000 0.0000000 0.4719961), wk = 0.0033445 k( 27) = ( 0.0000000 0.0000000 0.4908760), wk = 0.0033445 k( 28) = ( 0.0000000 0.0000000 0.5097558), wk = 0.0033445 k( 29) = ( 0.0000000 0.0000000 0.5286357), wk = 0.0033445 k( 30) = ( 0.0000000 0.0000000 0.5286357), wk = 0.0033445 k( 31) = ( -0.0178571 0.0061295 0.5286357), wk = 0.0033445 k( 32) = ( -0.0357143 0.0122590 0.5286357), wk = 0.0033445 k( 33) = ( -0.0535714 0.0183886 0.5286357), wk = 0.0033445 k( 34) = ( -0.0714286 0.0245181 0.5286357), wk = 0.0033445 k( 35) = ( -0.0892857 0.0306476 0.5286357), wk = 0.0033445 k( 36) = ( -0.1071429 0.0367771 0.5286357), wk = 0.0033445 k( 37) = ( -0.1250000 0.0429066 0.5286357), wk = 0.0033445 k( 38) = ( -0.1428571 0.0490362 0.5286357), wk = 0.0033445 k( 39) = ( -0.1607143 0.0551657 0.5286357), wk = 0.0033445 k( 40) = ( -0.1785714 0.0612952 0.5286357), wk = 0.0033445 k( 41) = ( -0.1964286 0.0674247 0.5286357), wk = 0.0033445 k( 42) = ( -0.2142857 0.0735542 0.5286357), wk = 0.0033445 k( 43) = ( -0.2321429 0.0796838 0.5286357), wk = 0.0033445 k( 44) = ( -0.2500000 0.0858133 0.5286357), wk = 0.0033445 k( 45) = ( -0.2678571 0.0919428 0.5286357), wk = 0.0033445 k( 46) = ( -0.2857143 0.0980723 0.5286357), wk = 0.0033445 k( 47) = ( -0.3035714 0.1042019 0.5286357), wk = 0.0033445 k( 48) = ( -0.3214286 0.1103314 0.5286357), wk = 0.0033445 k( 49) = ( -0.3392857 0.1164609 0.5286357), wk = 0.0033445 k( 50) = ( -0.3571429 0.1225904 0.5286357), wk = 0.0033445 k( 51) = ( -0.3750000 0.1287199 0.5286357), wk = 0.0033445 k( 52) = ( -0.3928571 0.1348495 0.5286357), wk = 0.0033445 k( 53) = ( -0.4107143 0.1409790 0.5286357), wk = 0.0033445 k( 54) = ( -0.4285714 0.1471085 0.5286357), wk = 0.0033445 k( 55) = ( -0.4464286 0.1532380 0.5286357), wk = 0.0033445 k( 56) = ( -0.4642857 0.1593675 0.5286357), wk = 0.0033445 k( 57) = ( -0.4821429 0.1654971 0.5286357), wk = 0.0033445 k( 58) = ( -0.5000000 0.1716266 0.5286357), wk = 0.0033445 k( 59) = ( -0.5000000 0.1716266 0.5286357), wk = 0.0033445 k( 60) = ( -0.4875000 0.1673359 0.5154198), wk = 0.0033445 k( 61) = ( -0.4750000 0.1630452 0.5022039), wk = 0.0033445 k( 62) = ( -0.4625000 0.1587546 0.4889880), wk = 0.0033445 k( 63) = ( -0.4500000 0.1544639 0.4757721), wk = 0.0033445 k( 64) = ( -0.4375000 0.1501733 0.4625562), wk = 0.0033445 k( 65) = ( -0.4250000 0.1458826 0.4493403), wk = 0.0033445 k( 66) = ( -0.4125000 0.1415919 0.4361244), wk = 0.0033445 k( 67) = ( -0.4000000 0.1373013 0.4229085), wk = 0.0033445 k( 68) = ( -0.3875000 0.1330106 0.4096927), wk = 0.0033445 k( 69) = ( -0.3750000 0.1287199 0.3964768), wk = 0.0033445 k( 70) = ( -0.3625000 0.1244293 0.3832609), wk = 0.0033445 k( 71) = ( -0.3500000 0.1201386 0.3700450), wk = 0.0033445 k( 72) = ( -0.3375000 0.1158479 0.3568291), wk = 0.0033445 k( 73) = ( -0.3250000 0.1115573 0.3436132), wk = 0.0033445 k( 74) = ( -0.3125000 0.1072666 0.3303973), wk = 0.0033445 k( 75) = ( -0.3000000 0.1029759 0.3171814), wk = 0.0033445 k( 76) = ( -0.2875000 0.0986853 0.3039655), wk = 0.0033445 k( 77) = ( -0.2750000 0.0943946 0.2907496), wk = 0.0033445 k( 78) = ( -0.2625000 0.0901040 0.2775337), wk = 0.0033445 k( 79) = ( -0.2500000 0.0858133 0.2643178), wk = 0.0033445 k( 80) = ( -0.2375000 0.0815226 0.2511019), wk = 0.0033445 k( 81) = ( -0.2250000 0.0772320 0.2378861), wk = 0.0033445 k( 82) = ( -0.2125000 0.0729413 0.2246702), wk = 0.0033445 k( 83) = ( -0.2000000 0.0686506 0.2114543), wk = 0.0033445 k( 84) = ( -0.1875000 0.0643600 0.1982384), wk = 0.0033445 k( 85) = ( -0.1750000 0.0600693 0.1850225), wk = 0.0033445 k( 86) = ( -0.1625000 0.0557786 0.1718066), wk = 0.0033445 k( 87) = ( -0.1500000 0.0514880 0.1585907), wk = 0.0033445 k( 88) = ( -0.1375000 0.0471973 0.1453748), wk = 0.0033445 k( 89) = ( -0.1250000 0.0429066 0.1321589), wk = 0.0033445 k( 90) = ( -0.1125000 0.0386160 0.1189430), wk = 0.0033445 k( 91) = ( -0.1000000 0.0343253 0.1057271), wk = 0.0033445 k( 92) = ( -0.0875000 0.0300347 0.0925112), wk = 0.0033445 k( 93) = ( -0.0750000 0.0257440 0.0792954), wk = 0.0033445 k( 94) = ( -0.0625000 0.0214533 0.0660795), wk = 0.0033445 k( 95) = ( -0.0500000 0.0171627 0.0528636), wk = 0.0033445 k( 96) = ( -0.0375000 0.0128720 0.0396477), wk = 0.0033445 k( 97) = ( -0.0250000 0.0085813 0.0264318), wk = 0.0033445 k( 98) = ( -0.0125000 0.0042907 0.0132159), wk = 0.0033445 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 101) = ( 0.0061782 0.0179990 -0.0000000), wk = 0.0033445 k( 102) = ( 0.0123564 0.0359981 -0.0000000), wk = 0.0033445 k( 103) = ( 0.0185347 0.0539971 -0.0000000), wk = 0.0033445 k( 104) = ( 0.0247129 0.0719962 -0.0000000), wk = 0.0033445 k( 105) = ( 0.0308911 0.0899952 -0.0000000), wk = 0.0033445 k( 106) = ( 0.0370694 0.1079942 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0432476 0.1259933 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0494258 0.1439923 -0.0000000), wk = 0.0033445 k( 109) = ( 0.0556041 0.1619914 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0617823 0.1799904 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0679605 0.1979894 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0741387 0.2159885 -0.0000000), wk = 0.0033445 k( 113) = ( 0.0803169 0.2339875 -0.0000000), wk = 0.0033445 k( 114) = ( 0.0864952 0.2519866 -0.0000000), wk = 0.0033445 k( 115) = ( 0.0926734 0.2699856 -0.0000000), wk = 0.0033445 k( 116) = ( 0.0988516 0.2879847 -0.0000000), wk = 0.0033445 k( 117) = ( 0.1050299 0.3059837 -0.0000000), wk = 0.0033445 k( 118) = ( 0.1112081 0.3239827 -0.0000000), wk = 0.0033445 k( 119) = ( 0.1173863 0.3419818 -0.0000000), wk = 0.0033445 k( 120) = ( 0.1235645 0.3599808 -0.0000000), wk = 0.0033445 k( 121) = ( 0.1297428 0.3779798 -0.0000000), wk = 0.0033445 k( 122) = ( 0.1359210 0.3959789 -0.0000000), wk = 0.0033445 k( 123) = ( 0.1420992 0.4139779 -0.0000000), wk = 0.0033445 k( 124) = ( 0.1482775 0.4319769 -0.0000000), wk = 0.0033445 k( 125) = ( 0.1544557 0.4499760 -0.0000000), wk = 0.0033445 k( 126) = ( 0.1606339 0.4679750 -0.0000000), wk = 0.0033445 k( 127) = ( 0.1668121 0.4859741 -0.0000000), wk = 0.0033445 k( 128) = ( 0.1729904 0.5039731 -0.0000000), wk = 0.0033445 k( 129) = ( 0.1791686 0.5219722 -0.0000000), wk = 0.0033445 k( 130) = ( 0.1853468 0.5399712 -0.0000000), wk = 0.0033445 k( 131) = ( 0.1915251 0.5579703 -0.0000000), wk = 0.0033445 k( 132) = ( 0.1977033 0.5759693 -0.0000000), wk = 0.0033445 k( 133) = ( 0.2038815 0.5939683 -0.0000000), wk = 0.0033445 k( 134) = ( 0.2100597 0.6119674 -0.0000000), wk = 0.0033445 k( 135) = ( 0.2162380 0.6299664 -0.0000000), wk = 0.0033445 k( 136) = ( 0.2224162 0.6479654 -0.0000000), wk = 0.0033445 k( 137) = ( 0.2285944 0.6659645 -0.0000000), wk = 0.0033445 k( 138) = ( 0.2347726 0.6839635 -0.0000000), wk = 0.0033445 k( 139) = ( 0.2409509 0.7019626 -0.0000000), wk = 0.0033445 k( 140) = ( 0.2471291 0.7199616 -0.0000000), wk = 0.0033445 k( 141) = ( 0.2533073 0.7379606 -0.0000000), wk = 0.0033445 k( 142) = ( 0.2594856 0.7559597 -0.0000000), wk = 0.0033445 k( 143) = ( 0.2656638 0.7739587 -0.0000000), wk = 0.0033445 k( 144) = ( 0.2718420 0.7919578 -0.0000000), wk = 0.0033445 k( 145) = ( 0.2780202 0.8099568 -0.0000000), wk = 0.0033445 k( 146) = ( 0.2841985 0.8279559 -0.0000000), wk = 0.0033445 k( 147) = ( 0.2903767 0.8459549 -0.0000000), wk = 0.0033445 k( 148) = ( 0.2965549 0.8639539 -0.0000000), wk = 0.0033445 k( 149) = ( 0.3027331 0.8819530 -0.0000000), wk = 0.0033445 k( 150) = ( 0.3089114 0.8999520 -0.0000000), wk = 0.0033445 k( 151) = ( 0.3089114 0.8999520 -0.0000000), wk = 0.0033445 k( 152) = ( 0.3069477 0.8942311 0.0176212), wk = 0.0033445 k( 153) = ( 0.3049839 0.8885102 0.0352424), wk = 0.0033445 k( 154) = ( 0.3030202 0.8827894 0.0528636), wk = 0.0033445 k( 155) = ( 0.3010565 0.8770685 0.0704848), wk = 0.0033445 k( 156) = ( 0.2990928 0.8713476 0.0881059), wk = 0.0033445 k( 157) = ( 0.2971291 0.8656267 0.1057271), wk = 0.0033445 k( 158) = ( 0.2951654 0.8599058 0.1233483), wk = 0.0033445 k( 159) = ( 0.2932017 0.8541849 0.1409695), wk = 0.0033445 k( 160) = ( 0.2912380 0.8484640 0.1585907), wk = 0.0033445 k( 161) = ( 0.2892742 0.8427431 0.1762119), wk = 0.0033445 k( 162) = ( 0.2873105 0.8370223 0.1938331), wk = 0.0033445 k( 163) = ( 0.2853468 0.8313014 0.2114543), wk = 0.0033445 k( 164) = ( 0.2833831 0.8255805 0.2290755), wk = 0.0033445 k( 165) = ( 0.2814194 0.8198596 0.2466966), wk = 0.0033445 k( 166) = ( 0.2794557 0.8141387 0.2643178), wk = 0.0033445 k( 167) = ( 0.2774920 0.8084178 0.2819390), wk = 0.0033445 k( 168) = ( 0.2755283 0.8026969 0.2995602), wk = 0.0033445 k( 169) = ( 0.2735646 0.7969761 0.3171814), wk = 0.0033445 k( 170) = ( 0.2716008 0.7912552 0.3348026), wk = 0.0033445 k( 171) = ( 0.2696371 0.7855343 0.3524238), wk = 0.0033445 k( 172) = ( 0.2676734 0.7798134 0.3700450), wk = 0.0033445 k( 173) = ( 0.2657097 0.7740925 0.3876662), wk = 0.0033445 k( 174) = ( 0.2637460 0.7683716 0.4052874), wk = 0.0033445 k( 175) = ( 0.2617823 0.7626507 0.4229085), wk = 0.0033445 k( 176) = ( 0.2598186 0.7569299 0.4405297), wk = 0.0033445 k( 177) = ( 0.2578549 0.7512090 0.4581509), wk = 0.0033445 k( 178) = ( 0.2558911 0.7454881 0.4757721), wk = 0.0033445 k( 179) = ( 0.2539274 0.7397672 0.4933933), wk = 0.0033445 k( 180) = ( 0.2519637 0.7340463 0.5110145), wk = 0.0033445 k( 181) = ( 0.2500000 0.7283254 0.5286357), wk = 0.0033445 k( 182) = ( 0.2500000 0.7283254 0.5286357), wk = 0.0033445 k( 183) = ( 0.2375000 0.7326161 0.5154198), wk = 0.0033445 k( 184) = ( 0.2250000 0.7369068 0.5022039), wk = 0.0033445 k( 185) = ( 0.2125000 0.7411974 0.4889880), wk = 0.0033445 k( 186) = ( 0.2000000 0.7454881 0.4757721), wk = 0.0033445 k( 187) = ( 0.1875000 0.7497787 0.4625562), wk = 0.0033445 k( 188) = ( 0.1750000 0.7540694 0.4493403), wk = 0.0033445 k( 189) = ( 0.1625000 0.7583601 0.4361244), wk = 0.0033445 k( 190) = ( 0.1500000 0.7626507 0.4229085), wk = 0.0033445 k( 191) = ( 0.1375000 0.7669414 0.4096927), wk = 0.0033445 k( 192) = ( 0.1250000 0.7712321 0.3964768), wk = 0.0033445 k( 193) = ( 0.1125000 0.7755227 0.3832609), wk = 0.0033445 k( 194) = ( 0.1000000 0.7798134 0.3700450), wk = 0.0033445 k( 195) = ( 0.0875000 0.7841041 0.3568291), wk = 0.0033445 k( 196) = ( 0.0750000 0.7883947 0.3436132), wk = 0.0033445 k( 197) = ( 0.0625000 0.7926854 0.3303973), wk = 0.0033445 k( 198) = ( 0.0500000 0.7969761 0.3171814), wk = 0.0033445 k( 199) = ( 0.0375000 0.8012667 0.3039655), wk = 0.0033445 k( 200) = ( 0.0250000 0.8055574 0.2907496), wk = 0.0033445 k( 201) = ( 0.0125000 0.8098480 0.2775337), wk = 0.0033445 k( 202) = ( 0.0000000 0.8141387 0.2643178), wk = 0.0033445 k( 203) = ( 0.0000000 0.8141387 0.2643178), wk = 0.0033445 k( 204) = ( -0.0140414 0.8102381 0.2763323), wk = 0.0033445 k( 205) = ( -0.0280828 0.8063375 0.2883467), wk = 0.0033445 k( 206) = ( -0.0421243 0.8024369 0.3003612), wk = 0.0033445 k( 207) = ( -0.0561657 0.7985363 0.3123756), wk = 0.0033445 k( 208) = ( -0.0702071 0.7946357 0.3243901), wk = 0.0033445 k( 209) = ( -0.0842486 0.7907351 0.3364045), wk = 0.0033445 k( 210) = ( -0.0982900 0.7868345 0.3484190), wk = 0.0033445 k( 211) = ( -0.1123314 0.7829339 0.3604334), wk = 0.0033445 k( 212) = ( -0.1263728 0.7790333 0.3724479), wk = 0.0033445 k( 213) = ( -0.1404143 0.7751327 0.3844623), wk = 0.0033445 k( 214) = ( -0.1544557 0.7712321 0.3964768), wk = 0.0033445 k( 215) = ( -0.1684971 0.7673315 0.4084912), wk = 0.0033445 k( 216) = ( -0.1825385 0.7634309 0.4205057), wk = 0.0033445 k( 217) = ( -0.1965800 0.7595303 0.4325201), wk = 0.0033445 k( 218) = ( -0.2106214 0.7556297 0.4445345), wk = 0.0033445 k( 219) = ( -0.2246628 0.7517290 0.4565490), wk = 0.0033445 k( 220) = ( -0.2387042 0.7478284 0.4685634), wk = 0.0033445 k( 221) = ( -0.2527457 0.7439278 0.4805779), wk = 0.0033445 k( 222) = ( -0.2667871 0.7400272 0.4925923), wk = 0.0033445 k( 223) = ( -0.2808285 0.7361266 0.5046068), wk = 0.0033445 k( 224) = ( -0.2948699 0.7322260 0.5166212), wk = 0.0033445 k( 225) = ( -0.3089114 0.7283254 0.5286357), wk = 0.0033445 k( 226) = ( -0.3089114 0.7283254 0.5286357), wk = 0.0033445 k( 227) = ( -0.3150755 0.7103674 0.5286357), wk = 0.0033445 k( 228) = ( -0.3212397 0.6924094 0.5286357), wk = 0.0033445 k( 229) = ( -0.3274038 0.6744514 0.5286357), wk = 0.0033445 k( 230) = ( -0.3335680 0.6564933 0.5286357), wk = 0.0033445 k( 231) = ( -0.3397321 0.6385353 0.5286357), wk = 0.0033445 k( 232) = ( -0.3458963 0.6205773 0.5286357), wk = 0.0033445 k( 233) = ( -0.3520604 0.6026192 0.5286357), wk = 0.0033445 k( 234) = ( -0.3582246 0.5846612 0.5286357), wk = 0.0033445 k( 235) = ( -0.3643887 0.5667032 0.5286357), wk = 0.0033445 k( 236) = ( -0.3705529 0.5487452 0.5286357), wk = 0.0033445 k( 237) = ( -0.3767170 0.5307871 0.5286357), wk = 0.0033445 k( 238) = ( -0.3828812 0.5128291 0.5286357), wk = 0.0033445 k( 239) = ( -0.3890453 0.4948711 0.5286357), wk = 0.0033445 k( 240) = ( -0.3952095 0.4769130 0.5286357), wk = 0.0033445 k( 241) = ( -0.4013736 0.4589550 0.5286357), wk = 0.0033445 k( 242) = ( -0.4075378 0.4409970 0.5286357), wk = 0.0033445 k( 243) = ( -0.4137019 0.4230389 0.5286357), wk = 0.0033445 k( 244) = ( -0.4198661 0.4050809 0.5286357), wk = 0.0033445 k( 245) = ( -0.4260302 0.3871229 0.5286357), wk = 0.0033445 k( 246) = ( -0.4321944 0.3691649 0.5286357), wk = 0.0033445 k( 247) = ( -0.4383585 0.3512069 0.5286357), wk = 0.0033445 k( 248) = ( -0.4445227 0.3332488 0.5286357), wk = 0.0033445 k( 249) = ( -0.4506868 0.3152908 0.5286357), wk = 0.0033445 k( 250) = ( -0.4568509 0.2973328 0.5286357), wk = 0.0033445 k( 251) = ( -0.4630151 0.2793747 0.5286357), wk = 0.0033445 k( 252) = ( -0.4691792 0.2614167 0.5286357), wk = 0.0033445 k( 253) = ( -0.4753434 0.2434587 0.5286357), wk = 0.0033445 k( 254) = ( -0.4815076 0.2255007 0.5286357), wk = 0.0033445 k( 255) = ( -0.4876717 0.2075426 0.5286357), wk = 0.0033445 k( 256) = ( -0.4938359 0.1895846 0.5286357), wk = 0.0033445 k( 257) = ( -0.5000000 0.1716266 0.5286357), wk = 0.0033445 k( 258) = ( 0.0000000 0.0000000 0.5286357), wk = 0.0033445 k( 259) = ( 0.0060976 0.0177640 0.5286357), wk = 0.0033445 k( 260) = ( 0.0121951 0.0355281 0.5286357), wk = 0.0033445 k( 261) = ( 0.0182927 0.0532921 0.5286357), wk = 0.0033445 k( 262) = ( 0.0243902 0.0710561 0.5286357), wk = 0.0033445 k( 263) = ( 0.0304878 0.0888202 0.5286357), wk = 0.0033445 k( 264) = ( 0.0365854 0.1065842 0.5286357), wk = 0.0033445 k( 265) = ( 0.0426829 0.1243483 0.5286357), wk = 0.0033445 k( 266) = ( 0.0487805 0.1421123 0.5286357), wk = 0.0033445 k( 267) = ( 0.0548780 0.1598763 0.5286357), wk = 0.0033445 k( 268) = ( 0.0609756 0.1776403 0.5286357), wk = 0.0033445 k( 269) = ( 0.0670732 0.1954044 0.5286357), wk = 0.0033445 k( 270) = ( 0.0731707 0.2131684 0.5286357), wk = 0.0033445 k( 271) = ( 0.0792683 0.2309324 0.5286357), wk = 0.0033445 k( 272) = ( 0.0853658 0.2486965 0.5286357), wk = 0.0033445 k( 273) = ( 0.0914634 0.2664605 0.5286357), wk = 0.0033445 k( 274) = ( 0.0975610 0.2842246 0.5286357), wk = 0.0033445 k( 275) = ( 0.1036585 0.3019886 0.5286357), wk = 0.0033445 k( 276) = ( 0.1097561 0.3197526 0.5286357), wk = 0.0033445 k( 277) = ( 0.1158537 0.3375167 0.5286357), wk = 0.0033445 k( 278) = ( 0.1219512 0.3552807 0.5286357), wk = 0.0033445 k( 279) = ( 0.1280488 0.3730447 0.5286357), wk = 0.0033445 k( 280) = ( 0.1341463 0.3908088 0.5286357), wk = 0.0033445 k( 281) = ( 0.1402439 0.4085728 0.5286357), wk = 0.0033445 k( 282) = ( 0.1463415 0.4263368 0.5286357), wk = 0.0033445 k( 283) = ( 0.1524390 0.4441009 0.5286357), wk = 0.0033445 k( 284) = ( 0.1585366 0.4618649 0.5286357), wk = 0.0033445 k( 285) = ( 0.1646342 0.4796289 0.5286357), wk = 0.0033445 k( 286) = ( 0.1707317 0.4973930 0.5286357), wk = 0.0033445 k( 287) = ( 0.1768293 0.5151570 0.5286357), wk = 0.0033445 k( 288) = ( 0.1829268 0.5329210 0.5286357), wk = 0.0033445 k( 289) = ( 0.1890244 0.5506851 0.5286357), wk = 0.0033445 k( 290) = ( 0.1951219 0.5684491 0.5286357), wk = 0.0033445 k( 291) = ( 0.2012195 0.5862131 0.5286357), wk = 0.0033445 k( 292) = ( 0.2073171 0.6039772 0.5286357), wk = 0.0033445 k( 293) = ( 0.2134146 0.6217412 0.5286357), wk = 0.0033445 k( 294) = ( 0.2195122 0.6395053 0.5286357), wk = 0.0033445 k( 295) = ( 0.2256098 0.6572693 0.5286357), wk = 0.0033445 k( 296) = ( 0.2317073 0.6750333 0.5286357), wk = 0.0033445 k( 297) = ( 0.2378049 0.6927974 0.5286357), wk = 0.0033445 k( 298) = ( 0.2439024 0.7105614 0.5286357), wk = 0.0033445 k( 299) = ( 0.2500000 0.7283254 0.5286357), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0033445 k( 3) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0033445 k( 4) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0033445 k( 5) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033445 k( 6) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0033445 k( 7) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0033445 k( 8) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033445 k( 9) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033445 k( 10) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0033445 k( 11) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0033445 k( 12) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0033445 k( 13) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033445 k( 14) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0033445 k( 15) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445 k( 16) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0033445 k( 17) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033445 k( 18) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0033445 k( 19) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0033445 k( 20) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0033445 k( 21) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033445 k( 22) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033445 k( 23) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0033445 k( 24) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0033445 k( 25) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033445 k( 26) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0033445 k( 27) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0033445 k( 28) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0033445 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 30) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 31) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0033445 k( 32) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0033445 k( 33) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0033445 k( 34) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0033445 k( 35) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0033445 k( 36) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0033445 k( 37) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0033445 k( 38) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0033445 k( 39) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0033445 k( 40) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0033445 k( 41) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0033445 k( 42) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0033445 k( 43) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0033445 k( 44) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0033445 k( 45) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0033445 k( 46) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0033445 k( 47) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0033445 k( 48) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0033445 k( 49) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0033445 k( 50) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0033445 k( 51) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0033445 k( 52) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0033445 k( 53) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0033445 k( 54) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0033445 k( 55) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0033445 k( 56) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0033445 k( 57) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0033445 k( 58) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 59) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 60) = ( -0.4875000 0.4875000 0.4875000), wk = 0.0033445 k( 61) = ( -0.4750000 0.4750000 0.4750000), wk = 0.0033445 k( 62) = ( -0.4625000 0.4625000 0.4625000), wk = 0.0033445 k( 63) = ( -0.4500000 0.4500000 0.4500000), wk = 0.0033445 k( 64) = ( -0.4375000 0.4375000 0.4375000), wk = 0.0033445 k( 65) = ( -0.4250000 0.4250000 0.4250000), wk = 0.0033445 k( 66) = ( -0.4125000 0.4125000 0.4125000), wk = 0.0033445 k( 67) = ( -0.4000000 0.4000000 0.4000000), wk = 0.0033445 k( 68) = ( -0.3875000 0.3875000 0.3875000), wk = 0.0033445 k( 69) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0033445 k( 70) = ( -0.3625000 0.3625000 0.3625000), wk = 0.0033445 k( 71) = ( -0.3500000 0.3500000 0.3500000), wk = 0.0033445 k( 72) = ( -0.3375000 0.3375000 0.3375000), wk = 0.0033445 k( 73) = ( -0.3250000 0.3250000 0.3250000), wk = 0.0033445 k( 74) = ( -0.3125000 0.3125000 0.3125000), wk = 0.0033445 k( 75) = ( -0.3000000 0.3000000 0.3000000), wk = 0.0033445 k( 76) = ( -0.2875000 0.2875000 0.2875000), wk = 0.0033445 k( 77) = ( -0.2750000 0.2750000 0.2750000), wk = 0.0033445 k( 78) = ( -0.2625000 0.2625000 0.2625000), wk = 0.0033445 k( 79) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0033445 k( 80) = ( -0.2375000 0.2375000 0.2375000), wk = 0.0033445 k( 81) = ( -0.2250000 0.2250000 0.2250000), wk = 0.0033445 k( 82) = ( -0.2125000 0.2125000 0.2125000), wk = 0.0033445 k( 83) = ( -0.2000000 0.2000000 0.2000000), wk = 0.0033445 k( 84) = ( -0.1875000 0.1875000 0.1875000), wk = 0.0033445 k( 85) = ( -0.1750000 0.1750000 0.1750000), wk = 0.0033445 k( 86) = ( -0.1625000 0.1625000 0.1625000), wk = 0.0033445 k( 87) = ( -0.1500000 0.1500000 0.1500000), wk = 0.0033445 k( 88) = ( -0.1375000 0.1375000 0.1375000), wk = 0.0033445 k( 89) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0033445 k( 90) = ( -0.1125000 0.1125000 0.1125000), wk = 0.0033445 k( 91) = ( -0.1000000 0.1000000 0.1000000), wk = 0.0033445 k( 92) = ( -0.0875000 0.0875000 0.0875000), wk = 0.0033445 k( 93) = ( -0.0750000 0.0750000 0.0750000), wk = 0.0033445 k( 94) = ( -0.0625000 0.0625000 0.0625000), wk = 0.0033445 k( 95) = ( -0.0500000 0.0500000 0.0500000), wk = 0.0033445 k( 96) = ( -0.0375000 0.0375000 0.0375000), wk = 0.0033445 k( 97) = ( -0.0250000 0.0250000 0.0250000), wk = 0.0033445 k( 98) = ( -0.0125000 0.0125000 0.0125000), wk = 0.0033445 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 101) = ( 0.0061782 0.0061782 -0.0061782), wk = 0.0033445 k( 102) = ( 0.0123564 0.0123564 -0.0123565), wk = 0.0033445 k( 103) = ( 0.0185347 0.0185347 -0.0185347), wk = 0.0033445 k( 104) = ( 0.0247129 0.0247129 -0.0247129), wk = 0.0033445 k( 105) = ( 0.0308911 0.0308911 -0.0308911), wk = 0.0033445 k( 106) = ( 0.0370694 0.0370694 -0.0370694), wk = 0.0033445 k( 107) = ( 0.0432476 0.0432476 -0.0432476), wk = 0.0033445 k( 108) = ( 0.0494258 0.0494258 -0.0494258), wk = 0.0033445 k( 109) = ( 0.0556041 0.0556041 -0.0556041), wk = 0.0033445 k( 110) = ( 0.0617823 0.0617823 -0.0617823), wk = 0.0033445 k( 111) = ( 0.0679605 0.0679605 -0.0679605), wk = 0.0033445 k( 112) = ( 0.0741387 0.0741387 -0.0741387), wk = 0.0033445 k( 113) = ( 0.0803169 0.0803169 -0.0803169), wk = 0.0033445 k( 114) = ( 0.0864952 0.0864952 -0.0864952), wk = 0.0033445 k( 115) = ( 0.0926734 0.0926734 -0.0926734), wk = 0.0033445 k( 116) = ( 0.0988516 0.0988516 -0.0988516), wk = 0.0033445 k( 117) = ( 0.1050299 0.1050299 -0.1050299), wk = 0.0033445 k( 118) = ( 0.1112081 0.1112081 -0.1112081), wk = 0.0033445 k( 119) = ( 0.1173863 0.1173863 -0.1173863), wk = 0.0033445 k( 120) = ( 0.1235645 0.1235645 -0.1235645), wk = 0.0033445 k( 121) = ( 0.1297428 0.1297428 -0.1297428), wk = 0.0033445 k( 122) = ( 0.1359210 0.1359210 -0.1359210), wk = 0.0033445 k( 123) = ( 0.1420992 0.1420992 -0.1420992), wk = 0.0033445 k( 124) = ( 0.1482775 0.1482774 -0.1482775), wk = 0.0033445 k( 125) = ( 0.1544557 0.1544557 -0.1544557), wk = 0.0033445 k( 126) = ( 0.1606339 0.1606339 -0.1606339), wk = 0.0033445 k( 127) = ( 0.1668121 0.1668121 -0.1668121), wk = 0.0033445 k( 128) = ( 0.1729904 0.1729904 -0.1729904), wk = 0.0033445 k( 129) = ( 0.1791686 0.1791686 -0.1791686), wk = 0.0033445 k( 130) = ( 0.1853468 0.1853468 -0.1853468), wk = 0.0033445 k( 131) = ( 0.1915251 0.1915251 -0.1915250), wk = 0.0033445 k( 132) = ( 0.1977033 0.1977033 -0.1977033), wk = 0.0033445 k( 133) = ( 0.2038815 0.2038815 -0.2038815), wk = 0.0033445 k( 134) = ( 0.2100597 0.2100597 -0.2100597), wk = 0.0033445 k( 135) = ( 0.2162380 0.2162380 -0.2162380), wk = 0.0033445 k( 136) = ( 0.2224162 0.2224162 -0.2224162), wk = 0.0033445 k( 137) = ( 0.2285944 0.2285944 -0.2285944), wk = 0.0033445 k( 138) = ( 0.2347726 0.2347726 -0.2347726), wk = 0.0033445 k( 139) = ( 0.2409509 0.2409509 -0.2409509), wk = 0.0033445 k( 140) = ( 0.2471291 0.2471291 -0.2471291), wk = 0.0033445 k( 141) = ( 0.2533073 0.2533073 -0.2533073), wk = 0.0033445 k( 142) = ( 0.2594856 0.2594856 -0.2594855), wk = 0.0033445 k( 143) = ( 0.2656638 0.2656638 -0.2656638), wk = 0.0033445 k( 144) = ( 0.2718420 0.2718420 -0.2718420), wk = 0.0033445 k( 145) = ( 0.2780202 0.2780202 -0.2780202), wk = 0.0033445 k( 146) = ( 0.2841985 0.2841985 -0.2841985), wk = 0.0033445 k( 147) = ( 0.2903767 0.2903767 -0.2903767), wk = 0.0033445 k( 148) = ( 0.2965549 0.2965549 -0.2965549), wk = 0.0033445 k( 149) = ( 0.3027331 0.3027331 -0.3027331), wk = 0.0033445 k( 150) = ( 0.3089114 0.3089114 -0.3089114), wk = 0.0033445 k( 151) = ( 0.3089114 0.3089114 -0.3089114), wk = 0.0033445 k( 152) = ( 0.3069477 0.3069477 -0.2902810), wk = 0.0033445 k( 153) = ( 0.3049839 0.3049839 -0.2716506), wk = 0.0033445 k( 154) = ( 0.3030202 0.3030202 -0.2530202), wk = 0.0033445 k( 155) = ( 0.3010565 0.3010565 -0.2343899), wk = 0.0033445 k( 156) = ( 0.2990928 0.2990928 -0.2157595), wk = 0.0033445 k( 157) = ( 0.2971291 0.2971291 -0.1971291), wk = 0.0033445 k( 158) = ( 0.2951654 0.2951654 -0.1784987), wk = 0.0033445 k( 159) = ( 0.2932017 0.2932017 -0.1598683), wk = 0.0033445 k( 160) = ( 0.2912380 0.2912380 -0.1412380), wk = 0.0033445 k( 161) = ( 0.2892742 0.2892742 -0.1226076), wk = 0.0033445 k( 162) = ( 0.2873105 0.2873105 -0.1039772), wk = 0.0033445 k( 163) = ( 0.2853468 0.2853468 -0.0853468), wk = 0.0033445 k( 164) = ( 0.2833831 0.2833831 -0.0667164), wk = 0.0033445 k( 165) = ( 0.2814194 0.2814194 -0.0480861), wk = 0.0033445 k( 166) = ( 0.2794557 0.2794557 -0.0294557), wk = 0.0033445 k( 167) = ( 0.2774920 0.2774920 -0.0108253), wk = 0.0033445 k( 168) = ( 0.2755283 0.2755283 0.0078051), wk = 0.0033445 k( 169) = ( 0.2735646 0.2735646 0.0264354), wk = 0.0033445 k( 170) = ( 0.2716008 0.2716008 0.0450658), wk = 0.0033445 k( 171) = ( 0.2696371 0.2696371 0.0636962), wk = 0.0033445 k( 172) = ( 0.2676734 0.2676734 0.0823266), wk = 0.0033445 k( 173) = ( 0.2657097 0.2657097 0.1009570), wk = 0.0033445 k( 174) = ( 0.2637460 0.2637460 0.1195874), wk = 0.0033445 k( 175) = ( 0.2617823 0.2617823 0.1382177), wk = 0.0033445 k( 176) = ( 0.2598186 0.2598186 0.1568481), wk = 0.0033445 k( 177) = ( 0.2578549 0.2578549 0.1754785), wk = 0.0033445 k( 178) = ( 0.2558911 0.2558911 0.1941089), wk = 0.0033445 k( 179) = ( 0.2539274 0.2539274 0.2127392), wk = 0.0033445 k( 180) = ( 0.2519637 0.2519637 0.2313696), wk = 0.0033445 k( 181) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 k( 182) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 k( 183) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0033445 k( 184) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0033445 k( 185) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0033445 k( 186) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0033445 k( 187) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0033445 k( 188) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0033445 k( 189) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0033445 k( 190) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0033445 k( 191) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0033445 k( 192) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0033445 k( 193) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0033445 k( 194) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0033445 k( 195) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0033445 k( 196) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0033445 k( 197) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0033445 k( 198) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0033445 k( 199) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0033445 k( 200) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0033445 k( 201) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0033445 k( 202) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033445 k( 203) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033445 k( 204) = ( -0.0140414 0.5086858 0.0140414), wk = 0.0033445 k( 205) = ( -0.0280828 0.5173717 0.0280828), wk = 0.0033445 k( 206) = ( -0.0421243 0.5260575 0.0421243), wk = 0.0033445 k( 207) = ( -0.0561657 0.5347434 0.0561657), wk = 0.0033445 k( 208) = ( -0.0702071 0.5434292 0.0702071), wk = 0.0033445 k( 209) = ( -0.0842486 0.5521151 0.0842486), wk = 0.0033445 k( 210) = ( -0.0982900 0.5608009 0.0982900), wk = 0.0033445 k( 211) = ( -0.1123314 0.5694868 0.1123314), wk = 0.0033445 k( 212) = ( -0.1263728 0.5781726 0.1263728), wk = 0.0033445 k( 213) = ( -0.1404143 0.5868585 0.1404143), wk = 0.0033445 k( 214) = ( -0.1544557 0.5955443 0.1544557), wk = 0.0033445 k( 215) = ( -0.1684971 0.6042302 0.1684971), wk = 0.0033445 k( 216) = ( -0.1825385 0.6129160 0.1825385), wk = 0.0033445 k( 217) = ( -0.1965800 0.6216019 0.1965800), wk = 0.0033445 k( 218) = ( -0.2106214 0.6302877 0.2106214), wk = 0.0033445 k( 219) = ( -0.2246628 0.6389735 0.2246628), wk = 0.0033445 k( 220) = ( -0.2387042 0.6476594 0.2387042), wk = 0.0033445 k( 221) = ( -0.2527457 0.6563452 0.2527457), wk = 0.0033445 k( 222) = ( -0.2667871 0.6650311 0.2667871), wk = 0.0033445 k( 223) = ( -0.2808285 0.6737169 0.2808285), wk = 0.0033445 k( 224) = ( -0.2948699 0.6824028 0.2948699), wk = 0.0033445 k( 225) = ( -0.3089114 0.6910886 0.3089114), wk = 0.0033445 k( 226) = ( -0.3089114 0.6910886 0.3089114), wk = 0.0033445 k( 227) = ( -0.3150755 0.6849245 0.3150755), wk = 0.0033445 k( 228) = ( -0.3212397 0.6787603 0.3212397), wk = 0.0033445 k( 229) = ( -0.3274038 0.6725962 0.3274038), wk = 0.0033445 k( 230) = ( -0.3335680 0.6664320 0.3335680), wk = 0.0033445 k( 231) = ( -0.3397321 0.6602679 0.3397321), wk = 0.0033445 k( 232) = ( -0.3458963 0.6541037 0.3458963), wk = 0.0033445 k( 233) = ( -0.3520604 0.6479396 0.3520604), wk = 0.0033445 k( 234) = ( -0.3582246 0.6417754 0.3582246), wk = 0.0033445 k( 235) = ( -0.3643887 0.6356113 0.3643887), wk = 0.0033445 k( 236) = ( -0.3705529 0.6294471 0.3705529), wk = 0.0033445 k( 237) = ( -0.3767170 0.6232830 0.3767170), wk = 0.0033445 k( 238) = ( -0.3828812 0.6171188 0.3828812), wk = 0.0033445 k( 239) = ( -0.3890453 0.6109547 0.3890453), wk = 0.0033445 k( 240) = ( -0.3952095 0.6047905 0.3952095), wk = 0.0033445 k( 241) = ( -0.4013736 0.5986264 0.4013736), wk = 0.0033445 k( 242) = ( -0.4075378 0.5924622 0.4075378), wk = 0.0033445 k( 243) = ( -0.4137019 0.5862981 0.4137019), wk = 0.0033445 k( 244) = ( -0.4198661 0.5801339 0.4198661), wk = 0.0033445 k( 245) = ( -0.4260302 0.5739698 0.4260302), wk = 0.0033445 k( 246) = ( -0.4321944 0.5678056 0.4321944), wk = 0.0033445 k( 247) = ( -0.4383585 0.5616415 0.4383585), wk = 0.0033445 k( 248) = ( -0.4445227 0.5554773 0.4445226), wk = 0.0033445 k( 249) = ( -0.4506868 0.5493132 0.4506868), wk = 0.0033445 k( 250) = ( -0.4568509 0.5431491 0.4568510), wk = 0.0033445 k( 251) = ( -0.4630151 0.5369849 0.4630151), wk = 0.0033445 k( 252) = ( -0.4691792 0.5308207 0.4691793), wk = 0.0033445 k( 253) = ( -0.4753434 0.5246566 0.4753434), wk = 0.0033445 k( 254) = ( -0.4815076 0.5184924 0.4815076), wk = 0.0033445 k( 255) = ( -0.4876717 0.5123283 0.4876717), wk = 0.0033445 k( 256) = ( -0.4938359 0.5061642 0.4938359), wk = 0.0033445 k( 257) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 258) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 259) = ( 0.0060976 0.0060976 0.4939024), wk = 0.0033445 k( 260) = ( 0.0121951 0.0121951 0.4878049), wk = 0.0033445 k( 261) = ( 0.0182927 0.0182927 0.4817073), wk = 0.0033445 k( 262) = ( 0.0243902 0.0243902 0.4756098), wk = 0.0033445 k( 263) = ( 0.0304878 0.0304878 0.4695122), wk = 0.0033445 k( 264) = ( 0.0365854 0.0365854 0.4634146), wk = 0.0033445 k( 265) = ( 0.0426829 0.0426829 0.4573171), wk = 0.0033445 k( 266) = ( 0.0487805 0.0487805 0.4512195), wk = 0.0033445 k( 267) = ( 0.0548780 0.0548781 0.4451219), wk = 0.0033445 k( 268) = ( 0.0609756 0.0609756 0.4390244), wk = 0.0033445 k( 269) = ( 0.0670732 0.0670732 0.4329268), wk = 0.0033445 k( 270) = ( 0.0731707 0.0731707 0.4268293), wk = 0.0033445 k( 271) = ( 0.0792683 0.0792683 0.4207317), wk = 0.0033445 k( 272) = ( 0.0853658 0.0853658 0.4146341), wk = 0.0033445 k( 273) = ( 0.0914634 0.0914634 0.4085366), wk = 0.0033445 k( 274) = ( 0.0975610 0.0975610 0.4024390), wk = 0.0033445 k( 275) = ( 0.1036585 0.1036585 0.3963415), wk = 0.0033445 k( 276) = ( 0.1097561 0.1097561 0.3902439), wk = 0.0033445 k( 277) = ( 0.1158537 0.1158537 0.3841463), wk = 0.0033445 k( 278) = ( 0.1219512 0.1219512 0.3780488), wk = 0.0033445 k( 279) = ( 0.1280488 0.1280488 0.3719512), wk = 0.0033445 k( 280) = ( 0.1341463 0.1341463 0.3658537), wk = 0.0033445 k( 281) = ( 0.1402439 0.1402439 0.3597561), wk = 0.0033445 k( 282) = ( 0.1463415 0.1463415 0.3536585), wk = 0.0033445 k( 283) = ( 0.1524390 0.1524390 0.3475610), wk = 0.0033445 k( 284) = ( 0.1585366 0.1585366 0.3414634), wk = 0.0033445 k( 285) = ( 0.1646342 0.1646341 0.3353659), wk = 0.0033445 k( 286) = ( 0.1707317 0.1707317 0.3292683), wk = 0.0033445 k( 287) = ( 0.1768293 0.1768293 0.3231707), wk = 0.0033445 k( 288) = ( 0.1829268 0.1829268 0.3170732), wk = 0.0033445 k( 289) = ( 0.1890244 0.1890244 0.3109756), wk = 0.0033445 k( 290) = ( 0.1951219 0.1951219 0.3048781), wk = 0.0033445 k( 291) = ( 0.2012195 0.2012195 0.2987805), wk = 0.0033445 k( 292) = ( 0.2073171 0.2073171 0.2926829), wk = 0.0033445 k( 293) = ( 0.2134146 0.2134146 0.2865854), wk = 0.0033445 k( 294) = ( 0.2195122 0.2195122 0.2804878), wk = 0.0033445 k( 295) = ( 0.2256098 0.2256098 0.2743902), wk = 0.0033445 k( 296) = ( 0.2317073 0.2317073 0.2682927), wk = 0.0033445 k( 297) = ( 0.2378049 0.2378049 0.2621951), wk = 0.0033445 k( 298) = ( 0.2439024 0.2439024 0.2560976), wk = 0.0033445 k( 299) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 Dense grid: 53963 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 16073 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 114, 28) NL pseudopotentials 0.12 Mb ( 57, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1500) G-vector shells 0.01 Mb ( 678) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 114, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.12 Mb ( 136, 2, 28) The potential is recalculated from file : ./Sb.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.1 secs Computing kpt #: 15 total cpu time spent up to now is 4.3 secs Computing kpt #: 16 total cpu time spent up to now is 4.5 secs Computing kpt #: 17 total cpu time spent up to now is 4.7 secs Computing kpt #: 18 total cpu time spent up to now is 4.9 secs Computing kpt #: 19 total cpu time spent up to now is 5.3 secs Computing kpt #: 20 total cpu time spent up to now is 5.5 secs Computing kpt #: 21 total cpu time spent up to now is 5.7 secs Computing kpt #: 22 total cpu time spent up to now is 5.8 secs Computing kpt #: 23 total cpu time spent up to now is 6.0 secs Computing kpt #: 24 total cpu time spent up to now is 6.3 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.9 secs Computing kpt #: 27 total cpu time spent up to now is 7.1 secs Computing kpt #: 28 total cpu time spent up to now is 7.5 secs Computing kpt #: 29 total cpu time spent up to now is 7.7 secs Computing kpt #: 30 total cpu time spent up to now is 8.0 secs Computing kpt #: 31 total cpu time spent up to now is 8.3 secs Computing kpt #: 32 total cpu time spent up to now is 8.6 secs Computing kpt #: 33 total cpu time spent up to now is 8.9 secs Computing kpt #: 34 total cpu time spent up to now is 9.1 secs Computing kpt #: 35 total cpu time spent up to now is 9.4 secs Computing kpt #: 36 total cpu time spent up to now is 9.7 secs Computing kpt #: 37 total cpu time spent up to now is 10.0 secs Computing kpt #: 38 total cpu time spent up to now is 10.3 secs Computing kpt #: 39 total cpu time spent up to now is 10.6 secs Computing kpt #: 40 total cpu time spent up to now is 10.8 secs Computing kpt #: 41 total cpu time spent up to now is 11.1 secs Computing kpt #: 42 total cpu time spent up to now is 11.4 secs Computing kpt #: 43 total cpu time spent up to now is 11.7 secs Computing kpt #: 44 total cpu time spent up to now is 12.1 secs Computing kpt #: 45 total cpu time spent up to now is 12.4 secs Computing kpt #: 46 total cpu time spent up to now is 12.7 secs Computing kpt #: 47 total cpu time spent up to now is 13.0 secs Computing kpt #: 48 total cpu time spent up to now is 13.4 secs Computing kpt #: 49 total cpu time spent up to now is 13.7 secs Computing kpt #: 50 total cpu time spent up to now is 14.0 secs Computing kpt #: 51 total cpu time spent up to now is 14.3 secs Computing kpt #: 52 total cpu time spent up to now is 14.6 secs Computing kpt #: 53 total cpu time spent up to now is 14.9 secs Computing kpt #: 54 total cpu time spent up to now is 15.6 secs Computing kpt #: 55 total cpu time spent up to now is 15.9 secs Computing kpt #: 56 total cpu time spent up to now is 16.1 secs Computing kpt #: 57 total cpu time spent up to now is 16.4 secs Computing kpt #: 58 total cpu time spent up to now is 16.6 secs Computing kpt #: 59 total cpu time spent up to now is 16.9 secs Computing kpt #: 60 total cpu time spent up to now is 17.1 secs Computing kpt #: 61 total cpu time spent up to now is 17.3 secs Computing kpt #: 62 total cpu time spent up to now is 17.6 secs Computing kpt #: 63 total cpu time spent up to now is 17.9 secs Computing kpt #: 64 total cpu time spent up to now is 18.1 secs Computing kpt #: 65 total cpu time spent up to now is 18.4 secs Computing kpt #: 66 total cpu time spent up to now is 18.7 secs Computing kpt #: 67 total cpu time spent up to now is 19.0 secs Computing kpt #: 68 total cpu time spent up to now is 19.3 secs Computing kpt #: 69 total cpu time spent up to now is 19.5 secs Computing kpt #: 70 total cpu time spent up to now is 19.8 secs Computing kpt #: 71 total cpu time spent up to now is 20.1 secs Computing kpt #: 72 total cpu time spent up to now is 20.3 secs Computing kpt #: 73 total cpu time spent up to now is 20.5 secs Computing kpt #: 74 total cpu time spent up to now is 20.8 secs Computing kpt #: 75 total cpu time spent up to now is 21.0 secs Computing kpt #: 76 total cpu time spent up to now is 21.2 secs Computing kpt #: 77 total cpu time spent up to now is 21.4 secs Computing kpt #: 78 total cpu time spent up to now is 21.6 secs Computing kpt #: 79 total cpu time spent up to now is 21.7 secs Computing kpt #: 80 total cpu time spent up to now is 21.9 secs Computing kpt #: 81 total cpu time spent up to now is 22.1 secs Computing kpt #: 82 total cpu time spent up to now is 22.3 secs Computing kpt #: 83 total cpu time spent up to now is 22.5 secs Computing kpt #: 84 total cpu time spent up to now is 22.7 secs Computing kpt #: 85 total cpu time spent up to now is 22.9 secs Computing kpt #: 86 total cpu time spent up to now is 23.1 secs Computing kpt #: 87 total cpu time spent up to now is 23.3 secs Computing kpt #: 88 total cpu time spent up to now is 23.4 secs Computing kpt #: 89 total cpu time spent up to now is 23.6 secs Computing kpt #: 90 total cpu time spent up to now is 23.8 secs Computing kpt #: 91 total cpu time spent up to now is 24.0 secs Computing kpt #: 92 total cpu time spent up to now is 24.2 secs Computing kpt #: 93 total cpu time spent up to now is 24.4 secs Computing kpt #: 94 total cpu time spent up to now is 24.6 secs Computing kpt #: 95 total cpu time spent up to now is 24.8 secs Computing kpt #: 96 total cpu time spent up to now is 25.0 secs Computing kpt #: 97 total cpu time spent up to now is 25.2 secs Computing kpt #: 98 total cpu time spent up to now is 25.4 secs Computing kpt #: 99 total cpu time spent up to now is 25.7 secs Computing kpt #: 100 total cpu time spent up to now is 25.9 secs Computing kpt #: 101 total cpu time spent up to now is 26.1 secs Computing kpt #: 102 total cpu time spent up to now is 26.4 secs Computing kpt #: 103 total cpu time spent up to now is 26.6 secs Computing kpt #: 104 total cpu time spent up to now is 26.8 secs Computing kpt #: 105 total cpu time spent up to now is 27.0 secs Computing kpt #: 106 total cpu time spent up to now is 27.2 secs Computing kpt #: 107 total cpu time spent up to now is 27.4 secs Computing kpt #: 108 total cpu time spent up to now is 27.6 secs Computing kpt #: 109 total cpu time spent up to now is 27.8 secs Computing kpt #: 110 total cpu time spent up to now is 28.0 secs Computing kpt #: 111 total cpu time spent up to now is 28.3 secs Computing kpt #: 112 total cpu time spent up to now is 28.5 secs Computing kpt #: 113 total cpu time spent up to now is 28.7 secs Computing kpt #: 114 total cpu time spent up to now is 28.9 secs Computing kpt #: 115 total cpu time spent up to now is 29.1 secs Computing kpt #: 116 total cpu time spent up to now is 29.3 secs Computing kpt #: 117 total cpu time spent up to now is 29.5 secs Computing kpt #: 118 total cpu time spent up to now is 29.7 secs Computing kpt #: 119 total cpu time spent up to now is 29.9 secs Computing kpt #: 120 total cpu time spent up to now is 30.4 secs Computing kpt #: 121 total cpu time spent up to now is 30.6 secs Computing kpt #: 122 total cpu time spent up to now is 30.8 secs Computing kpt #: 123 total cpu time spent up to now is 31.1 secs Computing kpt #: 124 total cpu time spent up to now is 31.3 secs Computing kpt #: 125 total cpu time spent up to now is 31.5 secs Computing kpt #: 126 total cpu time spent up to now is 31.7 secs Computing kpt #: 127 total cpu time spent up to now is 31.9 secs Computing kpt #: 128 total cpu time spent up to now is 32.1 secs Computing kpt #: 129 total cpu time spent up to now is 32.3 secs Computing kpt #: 130 total cpu time spent up to now is 32.5 secs Computing kpt #: 131 total cpu time spent up to now is 32.7 secs Computing kpt #: 132 total cpu time spent up to now is 32.9 secs Computing kpt #: 133 total cpu time spent up to now is 33.1 secs Computing kpt #: 134 total cpu time spent up to now is 33.3 secs Computing kpt #: 135 total cpu time spent up to now is 33.5 secs Computing kpt #: 136 total cpu time spent up to now is 33.6 secs Computing kpt #: 137 total cpu time spent up to now is 33.8 secs Computing kpt #: 138 total cpu time spent up to now is 34.0 secs Computing kpt #: 139 total cpu time spent up to now is 34.2 secs Computing kpt #: 140 total cpu time spent up to now is 34.4 secs Computing kpt #: 141 total cpu time spent up to now is 34.6 secs Computing kpt #: 142 total cpu time spent up to now is 34.8 secs Computing kpt #: 143 total cpu time spent up to now is 34.9 secs Computing kpt #: 144 total cpu time spent up to now is 35.1 secs Computing kpt #: 145 total cpu time spent up to now is 35.4 secs Computing kpt #: 146 total cpu time spent up to now is 35.6 secs Computing kpt #: 147 total cpu time spent up to now is 35.8 secs Computing kpt #: 148 total cpu time spent up to now is 36.1 secs Computing kpt #: 149 total cpu time spent up to now is 36.3 secs Computing kpt #: 150 total cpu time spent up to now is 36.5 secs Computing kpt #: 151 total cpu time spent up to now is 36.7 secs Computing kpt #: 152 total cpu time spent up to now is 37.0 secs Computing kpt #: 153 total cpu time spent up to now is 37.2 secs Computing kpt #: 154 total cpu time spent up to now is 37.4 secs Computing kpt #: 155 total cpu time spent up to now is 37.7 secs Computing kpt #: 156 total cpu time spent up to now is 37.9 secs Computing kpt #: 157 total cpu time spent up to now is 38.1 secs Computing kpt #: 158 total cpu time spent up to now is 38.3 secs Computing kpt #: 159 total cpu time spent up to now is 38.5 secs Computing kpt #: 160 total cpu time spent up to now is 38.7 secs Computing kpt #: 161 total cpu time spent up to now is 38.9 secs Computing kpt #: 162 total cpu time spent up to now is 39.1 secs Computing kpt #: 163 total cpu time spent up to now is 39.3 secs Computing kpt #: 164 total cpu time spent up to now is 39.5 secs Computing kpt #: 165 total cpu time spent up to now is 39.7 secs Computing kpt #: 166 total cpu time spent up to now is 39.9 secs Computing kpt #: 167 total cpu time spent up to now is 40.0 secs Computing kpt #: 168 total cpu time spent up to now is 40.2 secs Computing kpt #: 169 total cpu time spent up to now is 40.4 secs Computing kpt #: 170 total cpu time spent up to now is 40.6 secs Computing kpt #: 171 total cpu time spent up to now is 40.8 secs Computing kpt #: 172 total cpu time spent up to now is 41.0 secs Computing kpt #: 173 total cpu time spent up to now is 41.2 secs Computing kpt #: 174 total cpu time spent up to now is 41.4 secs Computing kpt #: 175 total cpu time spent up to now is 41.6 secs Computing kpt #: 176 total cpu time spent up to now is 41.8 secs Computing kpt #: 177 total cpu time spent up to now is 42.0 secs Computing kpt #: 178 total cpu time spent up to now is 42.1 secs Computing kpt #: 179 total cpu time spent up to now is 42.3 secs Computing kpt #: 180 total cpu time spent up to now is 42.5 secs Computing kpt #: 181 total cpu time spent up to now is 42.7 secs Computing kpt #: 182 total cpu time spent up to now is 42.9 secs Computing kpt #: 183 total cpu time spent up to now is 43.1 secs Computing kpt #: 184 total cpu time spent up to now is 43.3 secs Computing kpt #: 185 total cpu time spent up to now is 43.5 secs Computing kpt #: 186 total cpu time spent up to now is 43.7 secs Computing kpt #: 187 total cpu time spent up to now is 43.9 secs Computing kpt #: 188 total cpu time spent up to now is 44.1 secs Computing kpt #: 189 total cpu time spent up to now is 44.3 secs Computing kpt #: 190 total cpu time spent up to now is 44.5 secs Computing kpt #: 191 total cpu time spent up to now is 44.6 secs Computing kpt #: 192 total cpu time spent up to now is 44.8 secs Computing kpt #: 193 total cpu time spent up to now is 45.0 secs Computing kpt #: 194 total cpu time spent up to now is 45.2 secs Computing kpt #: 195 total cpu time spent up to now is 45.4 secs Computing kpt #: 196 total cpu time spent up to now is 45.6 secs Computing kpt #: 197 total cpu time spent up to now is 45.8 secs Computing kpt #: 198 total cpu time spent up to now is 45.9 secs Computing kpt #: 199 total cpu time spent up to now is 46.1 secs Computing kpt #: 200 total cpu time spent up to now is 46.3 secs Computing kpt #: 201 total cpu time spent up to now is 46.5 secs Computing kpt #: 202 total cpu time spent up to now is 46.7 secs Computing kpt #: 203 total cpu time spent up to now is 46.9 secs Computing kpt #: 204 total cpu time spent up to now is 47.0 secs Computing kpt #: 205 total cpu time spent up to now is 47.2 secs Computing kpt #: 206 total cpu time spent up to now is 47.4 secs Computing kpt #: 207 total cpu time spent up to now is 47.6 secs Computing kpt #: 208 total cpu time spent up to now is 47.8 secs Computing kpt #: 209 total cpu time spent up to now is 48.0 secs Computing kpt #: 210 total cpu time spent up to now is 48.2 secs Computing kpt #: 211 total cpu time spent up to now is 48.3 secs Computing kpt #: 212 total cpu time spent up to now is 48.5 secs Computing kpt #: 213 total cpu time spent up to now is 48.7 secs Computing kpt #: 214 total cpu time spent up to now is 48.9 secs Computing kpt #: 215 total cpu time spent up to now is 49.1 secs Computing kpt #: 216 total cpu time spent up to now is 49.3 secs Computing kpt #: 217 total cpu time spent up to now is 49.5 secs Computing kpt #: 218 total cpu time spent up to now is 49.8 secs Computing kpt #: 219 total cpu time spent up to now is 50.0 secs Computing kpt #: 220 total cpu time spent up to now is 50.2 secs Computing kpt #: 221 total cpu time spent up to now is 50.4 secs Computing kpt #: 222 total cpu time spent up to now is 50.7 secs Computing kpt #: 223 total cpu time spent up to now is 50.9 secs Computing kpt #: 224 total cpu time spent up to now is 51.1 secs Computing kpt #: 225 total cpu time spent up to now is 51.4 secs Computing kpt #: 226 total cpu time spent up to now is 51.6 secs Computing kpt #: 227 total cpu time spent up to now is 51.8 secs Computing kpt #: 228 total cpu time spent up to now is 52.0 secs Computing kpt #: 229 total cpu time spent up to now is 52.2 secs Computing kpt #: 230 total cpu time spent up to now is 52.4 secs Computing kpt #: 231 total cpu time spent up to now is 52.6 secs Computing kpt #: 232 total cpu time spent up to now is 52.8 secs Computing kpt #: 233 total cpu time spent up to now is 53.0 secs Computing kpt #: 234 total cpu time spent up to now is 53.2 secs Computing kpt #: 235 total cpu time spent up to now is 53.7 secs Computing kpt #: 236 total cpu time spent up to now is 53.9 secs Computing kpt #: 237 total cpu time spent up to now is 54.0 secs Computing kpt #: 238 total cpu time spent up to now is 54.2 secs Computing kpt #: 239 total cpu time spent up to now is 54.4 secs Computing kpt #: 240 total cpu time spent up to now is 54.6 secs Computing kpt #: 241 total cpu time spent up to now is 54.7 secs Computing kpt #: 242 total cpu time spent up to now is 54.9 secs Computing kpt #: 243 total cpu time spent up to now is 55.1 secs Computing kpt #: 244 total cpu time spent up to now is 55.3 secs Computing kpt #: 245 total cpu time spent up to now is 55.5 secs Computing kpt #: 246 total cpu time spent up to now is 55.6 secs Computing kpt #: 247 total cpu time spent up to now is 55.8 secs Computing kpt #: 248 total cpu time spent up to now is 56.0 secs Computing kpt #: 249 total cpu time spent up to now is 56.3 secs Computing kpt #: 250 total cpu time spent up to now is 56.6 secs Computing kpt #: 251 total cpu time spent up to now is 56.9 secs Computing kpt #: 252 total cpu time spent up to now is 57.2 secs Computing kpt #: 253 total cpu time spent up to now is 57.5 secs Computing kpt #: 254 total cpu time spent up to now is 57.8 secs Computing kpt #: 255 total cpu time spent up to now is 58.0 secs Computing kpt #: 256 total cpu time spent up to now is 58.3 secs Computing kpt #: 257 total cpu time spent up to now is 58.5 secs Computing kpt #: 258 total cpu time spent up to now is 58.8 secs Computing kpt #: 259 total cpu time spent up to now is 59.0 secs Computing kpt #: 260 total cpu time spent up to now is 59.3 secs Computing kpt #: 261 total cpu time spent up to now is 59.5 secs Computing kpt #: 262 total cpu time spent up to now is 59.8 secs Computing kpt #: 263 total cpu time spent up to now is 60.0 secs Computing kpt #: 264 total cpu time spent up to now is 60.3 secs Computing kpt #: 265 total cpu time spent up to now is 60.5 secs Computing kpt #: 266 total cpu time spent up to now is 60.7 secs Computing kpt #: 267 total cpu time spent up to now is 60.8 secs Computing kpt #: 268 total cpu time spent up to now is 61.0 secs Computing kpt #: 269 total cpu time spent up to now is 61.2 secs Computing kpt #: 270 total cpu time spent up to now is 61.4 secs Computing kpt #: 271 total cpu time spent up to now is 61.6 secs Computing kpt #: 272 total cpu time spent up to now is 61.8 secs Computing kpt #: 273 total cpu time spent up to now is 61.9 secs Computing kpt #: 274 total cpu time spent up to now is 62.1 secs Computing kpt #: 275 total cpu time spent up to now is 62.3 secs Computing kpt #: 276 total cpu time spent up to now is 62.5 secs Computing kpt #: 277 total cpu time spent up to now is 62.6 secs Computing kpt #: 278 total cpu time spent up to now is 62.8 secs Computing kpt #: 279 total cpu time spent up to now is 63.0 secs Computing kpt #: 280 total cpu time spent up to now is 63.1 secs Computing kpt #: 281 total cpu time spent up to now is 63.3 secs Computing kpt #: 282 total cpu time spent up to now is 63.5 secs Computing kpt #: 283 total cpu time spent up to now is 63.7 secs Computing kpt #: 284 total cpu time spent up to now is 63.8 secs Computing kpt #: 285 total cpu time spent up to now is 64.0 secs Computing kpt #: 286 total cpu time spent up to now is 64.2 secs Computing kpt #: 287 total cpu time spent up to now is 64.4 secs Computing kpt #: 288 total cpu time spent up to now is 64.5 secs Computing kpt #: 289 total cpu time spent up to now is 64.7 secs Computing kpt #: 290 total cpu time spent up to now is 64.9 secs Computing kpt #: 291 total cpu time spent up to now is 65.1 secs Computing kpt #: 292 total cpu time spent up to now is 65.9 secs Computing kpt #: 293 total cpu time spent up to now is 66.1 secs Computing kpt #: 294 total cpu time spent up to now is 66.3 secs Computing kpt #: 295 total cpu time spent up to now is 66.5 secs Computing kpt #: 296 total cpu time spent up to now is 66.7 secs Computing kpt #: 297 total cpu time spent up to now is 66.9 secs Computing kpt #: 298 total cpu time spent up to now is 67.1 secs Computing kpt #: 299 total cpu time spent up to now is 67.3 secs ethr = 5.00E-08, avg # of iterations = 20.1 total cpu time spent up to now is 67.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -6.7329 -6.7329 -3.1259 -3.1259 -2.0033 -2.0033 -1.9583 -1.9583 0.9416 0.9416 4.1925 4.1925 4.9149 4.9149 5.2040 5.2040 5.3919 5.3919 5.4835 5.4835 5.4961 5.4961 6.2201 6.2201 8.8876 8.8876 8.9809 8.9809 k = 0.0000 0.0000 0.0189 ( 2003 PWs) bands (ev): -6.7318 -6.7318 -3.1339 -3.1339 -2.0005 -2.0005 -1.9560 -1.9560 0.9474 0.9474 4.1808 4.1808 4.9099 4.9099 5.2086 5.2086 5.3669 5.3669 5.4963 5.4963 5.5199 5.5199 6.2220 6.2220 8.8852 8.8852 8.9778 8.9778 k = 0.0000 0.0000 0.0378 ( 2007 PWs) bands (ev): -6.7283 -6.7283 -3.1573 -3.1573 -1.9937 -1.9937 -1.9484 -1.9484 0.9649 0.9649 4.1473 4.1473 4.8938 4.8938 5.2165 5.2165 5.3362 5.3362 5.5007 5.5007 5.5864 5.5864 6.2273 6.2273 8.8780 8.8780 8.9705 8.9705 k = 0.0000 0.0000 0.0566 ( 2007 PWs) bands (ev): -6.7225 -6.7225 -3.1947 -3.1947 -1.9858 -1.9858 -1.9336 -1.9336 0.9938 0.9938 4.0962 4.0962 4.8656 4.8656 5.2080 5.2080 5.3363 5.3363 5.5091 5.5091 5.6632 5.6632 6.2361 6.2361 8.8665 8.8665 8.9634 8.9634 k = 0.0000 0.0000 0.0755 ( 2007 PWs) bands (ev): -6.7145 -6.7145 -3.2442 -3.2442 -1.9790 -1.9790 -1.9115 -1.9115 1.0340 1.0340 4.0326 4.0326 4.8268 4.8268 5.1776 5.1776 5.3671 5.3671 5.5257 5.5257 5.7457 5.7457 6.2480 6.2480 8.8524 8.8524 8.9591 8.9591 k = 0.0000 0.0000 0.0944 ( 2013 PWs) bands (ev): -6.7042 -6.7042 -3.3036 -3.3036 -1.9730 -1.9730 -1.8838 -1.8838 1.0850 1.0850 3.9605 3.9605 4.7802 4.7802 5.1382 5.1382 5.4032 5.4032 5.5576 5.5576 5.8316 5.8316 6.2630 6.2630 8.8387 8.8387 8.9581 8.9581 k = 0.0000 0.0000 0.1133 ( 2013 PWs) bands (ev): -6.6917 -6.6917 -3.3709 -3.3709 -1.9674 -1.9674 -1.8530 -1.8530 1.1464 1.1464 3.8832 3.8832 4.7289 4.7289 5.0953 5.0953 5.4288 5.4288 5.6106 5.6106 5.9190 5.9190 6.2818 6.2818 8.8276 8.8276 8.9604 8.9604 k = 0.0000 0.0000 0.1322 ( 2018 PWs) bands (ev): -6.6770 -6.6770 -3.4444 -3.4444 -1.9616 -1.9616 -1.8207 -1.8207 1.2177 1.2177 3.8030 3.8030 4.6752 4.6752 5.0502 5.0502 5.4431 5.4431 5.6802 5.6802 6.0048 6.0048 6.3063 6.3063 8.8208 8.8208 8.9658 8.9658 k = 0.0000 0.0000 0.1510 ( 2010 PWs) bands (ev): -6.6602 -6.6602 -3.5224 -3.5224 -1.9554 -1.9554 -1.7884 -1.7884 1.2982 1.2982 3.7217 3.7217 4.6206 4.6206 5.0033 5.0033 5.4509 5.4509 5.7585 5.7585 6.0842 6.0842 6.3406 6.3406 8.8189 8.8189 8.9743 8.9743 k = 0.0000 0.0000 0.1699 ( 2020 PWs) bands (ev): -6.6413 -6.6413 -3.6038 -3.6038 -1.9489 -1.9489 -1.7568 -1.7568 1.3872 1.3872 3.6403 3.6403 4.5664 4.5664 4.9550 4.9550 5.4554 5.4554 5.8400 5.8400 6.1502 6.1502 6.3914 6.3914 8.8221 8.8221 8.9862 8.9862 k = 0.0000 0.0000 0.1888 ( 2020 PWs) bands (ev): -6.6205 -6.6205 -3.6874 -3.6874 -1.9421 -1.9421 -1.7265 -1.7265 1.4841 1.4841 3.5600 3.5600 4.5132 4.5132 4.9055 4.9055 5.4581 5.4581 5.9211 5.9211 6.1986 6.1986 6.4629 6.4629 8.8299 8.8299 9.0017 9.0017 k = 0.0000 0.0000 0.2077 ( 2022 PWs) bands (ev): -6.5978 -6.5978 -3.7724 -3.7724 -1.9348 -1.9348 -1.6978 -1.6978 1.5879 1.5879 3.4814 3.4814 4.4615 4.4615 4.8551 4.8551 5.4597 5.4597 5.9987 5.9987 6.2331 6.2331 6.5522 6.5522 8.8413 8.8413 9.0211 9.0211 k = 0.0000 0.0000 0.2266 ( 2018 PWs) bands (ev): -6.5733 -6.5733 -3.8579 -3.8579 -1.9273 -1.9273 -1.6710 -1.6710 1.6980 1.6980 3.4050 3.4050 4.4116 4.4116 4.8039 4.8039 5.4606 5.4606 6.0690 6.0690 6.2621 6.2621 6.6533 6.6533 8.8548 8.8548 9.0446 9.0446 k = 0.0000 0.0000 0.2454 ( 2022 PWs) bands (ev): -6.5472 -6.5472 -3.9432 -3.9432 -1.9196 -1.9196 -1.6462 -1.6462 1.8135 1.8135 3.3314 3.3314 4.3638 4.3638 4.7522 4.7522 5.4612 5.4612 6.1269 6.1269 6.2938 6.2938 6.7619 6.7619 8.8682 8.8682 9.0723 9.0723 k = 0.0000 0.0000 0.2643 ( 2018 PWs) bands (ev): -6.5196 -6.5196 -4.0277 -4.0277 -1.9117 -1.9117 -1.6233 -1.6233 1.9334 1.9334 3.2610 3.2610 4.3181 4.3181 4.7002 4.7002 5.4616 5.4616 6.1675 6.1675 6.3347 6.3347 6.8754 6.8754 8.8788 8.8788 9.1042 9.1042 k = 0.0000 0.0000 0.2832 ( 2018 PWs) bands (ev): -6.4907 -6.4907 -4.1108 -4.1108 -1.9038 -1.9038 -1.6023 -1.6023 2.0571 2.0571 3.1940 3.1940 4.2746 4.2746 4.6480 4.6480 5.4619 5.4619 6.1919 6.1919 6.3847 6.3847 6.9925 6.9925 8.8830 8.8830 9.1401 9.1401 k = 0.0000 0.0000 0.3021 ( 2022 PWs) bands (ev): -6.4608 -6.4608 -4.1919 -4.1919 -1.8960 -1.8960 -1.5833 -1.5833 2.1835 2.1835 3.1309 3.1309 4.2333 4.2333 4.5956 4.5956 5.4621 5.4621 6.2055 6.2055 6.4387 6.4387 7.1122 7.1122 8.8771 8.8771 9.1796 9.1796 k = 0.0000 0.0000 0.3210 ( 2022 PWs) bands (ev): -6.4302 -6.4302 -4.2705 -4.2705 -1.8883 -1.8883 -1.5661 -1.5661 2.3117 2.3117 3.0719 3.0719 4.1940 4.1940 4.5433 4.5433 5.4623 5.4623 6.2133 6.2133 6.4920 6.4920 7.2339 7.2339 8.8575 8.8575 9.2221 9.2221 k = 0.0000 0.0000 0.3398 ( 2020 PWs) bands (ev): -6.3992 -6.3992 -4.3460 -4.3460 -1.8808 -1.8808 -1.5507 -1.5507 2.4409 2.4409 3.0172 3.0172 4.1565 4.1565 4.4912 4.4912 5.4627 5.4627 6.2179 6.2179 6.5424 6.5424 7.3567 7.3567 8.8222 8.8222 9.2669 9.2669 k = 0.0000 0.0000 0.3587 ( 2018 PWs) bands (ev): -6.3681 -6.3681 -4.4178 -4.4178 -1.8737 -1.8737 -1.5369 -1.5369 2.5700 2.5700 2.9672 2.9672 4.1203 4.1203 4.4395 4.4395 5.4631 5.4631 6.2209 6.2209 6.5885 6.5885 7.4799 7.4799 8.7720 8.7720 9.3130 9.3130 k = 0.0000 0.0000 0.3776 ( 2010 PWs) bands (ev): -6.3375 -6.3375 -4.4853 -4.4853 -1.8670 -1.8670 -1.5248 -1.5248 2.6978 2.6978 2.9221 2.9221 4.0848 4.0848 4.3887 4.3887 5.4636 5.4636 6.2230 6.2230 6.6299 6.6299 7.6025 7.6025 8.7102 8.7102 9.3589 9.3589 k = 0.0000 0.0000 0.3965 ( 1998 PWs) bands (ev): -6.3079 -6.3079 -4.5477 -4.5477 -1.8609 -1.8609 -1.5142 -1.5142 2.8216 2.8216 2.8840 2.8840 4.0491 4.0491 4.3396 4.3396 5.4642 5.4642 6.2248 6.2248 6.6662 6.6662 7.7226 7.7226 8.6426 8.6426 9.4031 9.4031 k = 0.0000 0.0000 0.4154 ( 1996 PWs) bands (ev): -6.2800 -6.2800 -4.6043 -4.6043 -1.8553 -1.8553 -1.5051 -1.5051 2.8433 2.8433 2.9499 2.9499 4.0118 4.0118 4.2933 4.2933 5.4649 5.4649 6.2265 6.2265 6.6975 6.6975 7.8377 7.8377 8.5762 8.5762 9.4433 9.4433 k = 0.0000 0.0000 0.4342 ( 2000 PWs) bands (ev): -6.2545 -6.2545 -4.6543 -4.6543 -1.8505 -1.8505 -1.4976 -1.4976 2.8141 2.8141 3.0676 3.0676 3.9712 3.9712 4.2513 4.2513 5.4656 5.4656 6.2283 6.2283 6.7238 6.7238 7.9431 7.9431 8.5192 8.5192 9.4756 9.4756 k = 0.0000 0.0000 0.4531 ( 2000 PWs) bands (ev): -6.2320 -6.2320 -4.6968 -4.6968 -1.8465 -1.8465 -1.4914 -1.4914 2.7895 2.7895 3.1803 3.1803 3.9259 3.9259 4.2154 4.2154 5.4663 5.4663 6.2301 6.2301 6.7452 6.7452 8.0304 8.0304 8.4820 8.4820 9.4908 9.4908 k = 0.0000 0.0000 0.4720 ( 2000 PWs) bands (ev): -6.2135 -6.2135 -4.7310 -4.7310 -1.8432 -1.8432 -1.4866 -1.4866 2.7701 2.7701 3.2853 3.2853 3.8752 3.8752 4.1871 4.1871 5.4669 5.4669 6.2318 6.2318 6.7618 6.7618 8.0891 8.0891 8.4747 8.4747 9.4686 9.4686 k = 0.0000 0.0000 0.4909 ( 2002 PWs) bands (ev): -6.1997 -6.1997 -4.7561 -4.7561 -1.8409 -1.8409 -1.4833 -1.4833 2.7562 2.7562 3.3787 3.3787 3.8212 3.8212 4.1669 4.1669 5.4674 5.4674 6.2332 6.2332 6.7736 6.7736 8.1159 8.1159 8.4965 8.4965 9.4103 9.4103 k = 0.0000 0.0000 0.5098 ( 2006 PWs) bands (ev): -6.1911 -6.1911 -4.7714 -4.7714 -1.8395 -1.8395 -1.4812 -1.4812 2.7478 2.7478 3.4515 3.4515 3.7723 3.7723 4.1549 4.1549 5.4677 5.4677 6.2341 6.2341 6.7806 6.7806 8.1227 8.1227 8.5269 8.5269 9.3564 9.3564 k = 0.0000 0.0000 0.5286 ( 2010 PWs) bands (ev): -6.1882 -6.1882 -4.7766 -4.7766 -1.8390 -1.8390 -1.4806 -1.4806 2.7450 2.7450 3.4821 3.4821 3.7497 3.7497 4.1510 4.1510 5.4678 5.4678 6.2344 6.2344 6.7830 6.7830 8.1233 8.1233 8.5406 8.5406 9.3353 9.3353 k = 0.0000 0.0000 0.5286 ( 2010 PWs) bands (ev): -6.1882 -6.1882 -4.7766 -4.7766 -1.8390 -1.8390 -1.4806 -1.4806 2.7450 2.7450 3.4821 3.4821 3.7497 3.7497 4.1510 4.1510 5.4678 5.4678 6.2344 6.2344 6.7830 6.7830 8.1233 8.1233 8.5406 8.5406 9.3353 9.3353 k =-0.0179 0.0061 0.5286 ( 2006 PWs) bands (ev): -6.1867 -6.1867 -4.7764 -4.7764 -1.8903 -1.8903 -1.4283 -1.4283 2.7361 2.7361 3.4883 3.4883 3.7509 3.7509 4.1495 4.1495 5.4732 5.4732 6.2382 6.2382 6.7829 6.7829 8.1242 8.1242 8.5408 8.5408 9.3335 9.3335 k =-0.0357 0.0123 0.5286 ( 2004 PWs) bands (ev): -6.1824 -6.1824 -4.7758 -4.7758 -1.9999 -1.9999 -1.3157 -1.3157 2.7107 2.7107 3.5054 3.5054 3.7547 3.7547 4.1452 4.1452 5.4890 5.4890 6.2495 6.2495 6.7827 6.7827 8.1269 8.1269 8.5414 8.5414 9.3284 9.3284 k =-0.0536 0.0184 0.5286 ( 2010 PWs) bands (ev): -6.1752 -6.1752 -4.7749 -4.7749 -2.1272 -2.1272 -1.1835 -1.1835 2.6716 2.6716 3.5296 3.5296 3.7617 3.7617 4.1390 4.1390 5.5148 5.5148 6.2683 6.2683 6.7822 6.7822 8.1313 8.1313 8.5423 8.5423 9.3198 9.3198 k =-0.0714 0.0245 0.5286 ( 2006 PWs) bands (ev): -6.1651 -6.1651 -4.7736 -4.7736 -2.2600 -2.2600 -1.0440 -1.0440 2.6222 2.6222 3.5560 3.5560 3.7729 3.7729 4.1321 4.1321 5.5500 5.5500 6.2944 6.2944 6.7816 6.7816 8.1373 8.1373 8.5436 8.5436 9.3077 9.3077 k =-0.0893 0.0306 0.5286 ( 2002 PWs) bands (ev): -6.1522 -6.1522 -4.7719 -4.7719 -2.3943 -2.3943 -0.9013 -0.9013 2.5657 2.5657 3.5796 3.5796 3.7894 3.7894 4.1261 4.1261 5.5937 5.5937 6.3279 6.3279 6.7806 6.7806 8.1448 8.1448 8.5452 8.5452 9.2922 9.2922 k =-0.1071 0.0368 0.5286 ( 2002 PWs) bands (ev): -6.1364 -6.1364 -4.7699 -4.7699 -2.5284 -2.5284 -0.7573 -0.7573 2.5045 2.5045 3.5970 3.5970 3.8111 3.8111 4.1230 4.1230 5.6450 5.6450 6.3684 6.3684 6.7791 6.7791 8.1536 8.1536 8.5473 8.5473 9.2733 9.2733 k =-0.1250 0.0429 0.5286 ( 2002 PWs) bands (ev): -6.1177 -6.1177 -4.7676 -4.7676 -2.6616 -2.6616 -0.6130 -0.6130 2.4406 2.4406 3.6066 3.6066 3.8369 3.8369 4.1246 4.1246 5.7030 5.7030 6.4159 6.4159 6.7772 6.7772 8.1636 8.1636 8.5497 8.5497 9.2511 9.2511 k =-0.1429 0.0490 0.5286 ( 2004 PWs) bands (ev): -6.0962 -6.0962 -4.7650 -4.7650 -2.7933 -2.7933 -0.4693 -0.4693 2.3752 2.3752 3.6087 3.6087 3.8643 3.8643 4.1328 4.1328 5.7669 5.7669 6.4699 6.4699 6.7745 6.7745 8.1744 8.1744 8.5524 8.5524 9.2255 9.2255 k =-0.1607 0.0552 0.5286 ( 1998 PWs) bands (ev): -6.0719 -6.0719 -4.7622 -4.7622 -2.9232 -2.9232 -0.3267 -0.3267 2.3096 2.3096 3.6043 3.6043 3.8910 3.8910 4.1484 4.1484 5.8358 5.8358 6.5302 6.5302 6.7709 6.7709 8.1860 8.1860 8.5555 8.5555 9.1965 9.1965 k =-0.1786 0.0613 0.5286 ( 1994 PWs) bands (ev): -6.0447 -6.0447 -4.7591 -4.7591 -3.0512 -3.0512 -0.1859 -0.1859 2.2445 2.2445 3.5947 3.5947 3.9164 3.9164 4.1711 4.1711 5.9090 5.9090 6.5963 6.5963 6.7663 6.7663 8.1980 8.1980 8.5587 8.5587 9.1644 9.1644 k =-0.1964 0.0674 0.5286 ( 1998 PWs) bands (ev): -6.0148 -6.0148 -4.7559 -4.7559 -3.1770 -3.1770 -0.0474 -0.0474 2.1806 2.1806 3.5810 3.5810 3.9409 3.9409 4.1996 4.1996 5.9857 5.9857 6.6677 6.6677 6.7603 6.7603 8.2104 8.2104 8.5620 8.5620 9.1290 9.1290 k =-0.2143 0.0736 0.5286 ( 1990 PWs) bands (ev): -5.9822 -5.9822 -4.7526 -4.7526 -3.3005 -3.3005 0.0880 0.0880 2.1184 2.1184 3.5642 3.5642 3.9656 3.9656 4.2320 4.2320 6.0653 6.0653 6.7438 6.7438 6.7530 6.7530 8.2229 8.2229 8.5652 8.5652 9.0906 9.0906 k =-0.2321 0.0797 0.5286 ( 1992 PWs) bands (ev): -5.9468 -5.9468 -4.7491 -4.7491 -3.4216 -3.4216 0.2197 0.2197 2.0584 2.0584 3.5452 3.5452 3.9918 3.9918 4.2666 4.2666 6.1469 6.1469 6.7438 6.7438 6.8241 6.8241 8.2355 8.2355 8.5680 8.5680 9.0494 9.0494 k =-0.2500 0.0858 0.5286 ( 1992 PWs) bands (ev): -5.9088 -5.9088 -4.7456 -4.7456 -3.5400 -3.5400 0.3470 0.3470 2.0009 2.0009 3.5248 3.5248 4.0201 4.0201 4.3021 4.3021 6.2296 6.2296 6.7331 6.7331 6.9076 6.9076 8.2479 8.2479 8.5702 8.5702 9.0054 9.0055 k =-0.2679 0.0919 0.5286 ( 1998 PWs) bands (ev): -5.8682 -5.8682 -4.7421 -4.7421 -3.6557 -3.6557 0.4693 0.4693 1.9462 1.9462 3.5037 3.5037 4.0510 4.0510 4.3378 4.3378 6.3120 6.3120 6.7210 6.7210 6.9937 6.9937 8.2602 8.2602 8.5715 8.5715 8.9591 8.9591 k =-0.2857 0.0981 0.5286 ( 2002 PWs) bands (ev): -5.8251 -5.8251 -4.7386 -4.7386 -3.7686 -3.7686 0.5857 0.5857 1.8947 1.8947 3.4826 3.4826 4.0847 4.0847 4.3730 4.3730 6.3918 6.3918 6.7090 6.7090 7.0816 7.0816 8.2722 8.2722 8.5714 8.5714 8.9108 8.9108 k =-0.3036 0.1042 0.5286 ( 1998 PWs) bands (ev): -5.7796 -5.7796 -4.7352 -4.7352 -3.8784 -3.8784 0.6956 0.6956 1.8464 1.8464 3.4618 3.4618 4.1210 4.1210 4.4078 4.4078 6.4641 6.4641 6.7012 6.7012 7.1703 7.1703 8.2840 8.2840 8.5696 8.5696 8.8610 8.8610 k =-0.3214 0.1103 0.5286 ( 2002 PWs) bands (ev): -5.7319 -5.7319 -4.7319 -4.7319 -3.9850 -3.9850 0.7983 0.7983 1.8018 1.8018 3.4419 3.4419 4.1593 4.1593 4.4420 4.4420 6.5168 6.5168 6.7085 6.7085 7.2589 7.2589 8.2953 8.2953 8.5655 8.5655 8.8105 8.8105 k =-0.3393 0.1165 0.5286 ( 2002 PWs) bands (ev): -5.6821 -5.6821 -4.7288 -4.7288 -4.0881 -4.0881 0.8930 0.8930 1.7609 1.7609 3.4231 3.4231 4.1987 4.1987 4.4761 4.4761 6.5348 6.5348 6.7454 6.7454 7.3464 7.3464 8.3060 8.3060 8.5587 8.5587 8.7601 8.7601 k =-0.3571 0.1226 0.5286 ( 2004 PWs) bands (ev): -5.6306 -5.6306 -4.7259 -4.7259 -4.1874 -4.1874 0.9793 0.9793 1.7239 1.7239 3.4057 3.4057 4.2381 4.2381 4.5103 4.5103 6.5230 6.5230 6.8063 6.8063 7.4319 7.4319 8.3157 8.3157 8.5489 8.5489 8.7109 8.7109 k =-0.3750 0.1287 0.5286 ( 1992 PWs) bands (ev): -5.5777 -5.5777 -4.7232 -4.7232 -4.2825 -4.2825 1.0565 1.0565 1.6909 1.6909 3.3899 3.3899 4.2761 4.2761 4.5450 4.5450 6.4961 6.4961 6.8761 6.8761 7.5142 7.5142 8.3237 8.3237 8.5359 8.5359 8.6639 8.6639 k =-0.3929 0.1348 0.5286 ( 1996 PWs) bands (ev): -5.5242 -5.5242 -4.7209 -4.7209 -4.3727 -4.3727 1.1242 1.1242 1.6621 1.6621 3.3760 3.3760 4.3110 4.3110 4.5802 4.5802 6.4623 6.4623 6.9463 6.9463 7.5921 7.5921 8.3287 8.3287 8.5209 8.5209 8.6200 8.6200 k =-0.4107 0.1410 0.5286 ( 2004 PWs) bands (ev): -5.4709 -5.4709 -4.7189 -4.7189 -4.4569 -4.4569 1.1819 1.1819 1.6375 1.6375 3.3639 3.3639 4.3416 4.3416 4.6155 4.6155 6.4259 6.4259 7.0127 7.0127 7.6643 7.6643 8.3293 8.3293 8.5062 8.5062 8.5791 8.5791 k =-0.4286 0.1471 0.5286 ( 2006 PWs) bands (ev): -5.4193 -5.4193 -4.7174 -4.7174 -4.5338 -4.5338 1.2295 1.2295 1.6173 1.6173 3.3539 3.3539 4.3668 4.3668 4.6495 4.6495 6.3900 6.3900 7.0724 7.0724 7.7292 7.7292 8.3246 8.3246 8.4949 8.4949 8.5412 8.5412 k =-0.4464 0.1532 0.5286 ( 2008 PWs) bands (ev): -5.3717 -5.3717 -4.7164 -4.7164 -4.6007 -4.6007 1.2667 1.2667 1.6016 1.6016 3.3461 3.3461 4.3864 4.3864 4.6801 4.6801 6.3577 6.3577 7.1226 7.1226 7.7847 7.7847 8.3156 8.3156 8.4884 8.4884 8.5072 8.5072 k =-0.4643 0.1594 0.5286 ( 2008 PWs) bands (ev): -5.3318 -5.3318 -4.7165 -4.7165 -4.6537 -4.6537 1.2933 1.2933 1.5903 1.5903 3.3404 3.3404 4.4002 4.4002 4.7046 4.7046 6.3319 6.3319 7.1609 7.1609 7.8279 7.8279 8.3053 8.3053 8.4762 8.4762 8.4888 8.4888 k =-0.4821 0.1655 0.5286 ( 2004 PWs) bands (ev): -5.3044 -5.3044 -4.7188 -4.7188 -4.6867 -4.6867 1.3094 1.3094 1.5835 1.5835 3.3370 3.3370 4.4084 4.4084 4.7206 4.7206 6.3152 6.3152 7.1850 7.1850 7.8558 7.8558 8.2975 8.2975 8.4574 8.4574 8.4881 8.4881 k =-0.5000 0.1716 0.5286 ( 2006 PWs) bands (ev): -5.2945 -5.2945 -4.7216 -4.7216 -4.6964 -4.6964 1.3147 1.3147 1.5812 1.5812 3.3359 3.3359 4.4111 4.4111 4.7261 4.7261 6.3094 6.3094 7.1932 7.1932 7.8655 7.8655 8.2946 8.2946 8.4504 8.4504 8.4883 8.4883 k =-0.5000 0.1716 0.5286 ( 2006 PWs) bands (ev): -5.2945 -5.2945 -4.7216 -4.7216 -4.6964 -4.6964 1.3147 1.3147 1.5812 1.5812 3.3359 3.3359 4.4111 4.4111 4.7261 4.7261 6.3094 6.3094 7.1932 7.1932 7.8655 7.8655 8.2946 8.2946 8.4504 8.4504 8.4883 8.4883 k =-0.4875 0.1673 0.5154 ( 2006 PWs) bands (ev): -5.3043 -5.3043 -4.7162 -4.7162 -4.6894 -4.6894 1.3095 1.3095 1.5834 1.5834 3.3370 3.3370 4.4083 4.4083 4.7208 4.7208 6.3151 6.3151 7.1851 7.1851 7.8561 7.8561 8.2974 8.2974 8.4573 8.4573 8.4881 8.4881 k =-0.4750 0.1630 0.5022 ( 2002 PWs) bands (ev): -5.3317 -5.3317 -4.7074 -4.7074 -4.6631 -4.6631 1.2938 1.2938 1.5901 1.5901 3.3403 3.3403 4.3992 4.3992 4.7063 4.7063 6.3314 6.3314 7.1618 7.1618 7.8290 7.8290 8.3031 8.3031 8.4765 8.4765 8.4893 8.4893 k =-0.4625 0.1588 0.4890 ( 2006 PWs) bands (ev): -5.3723 -5.3723 -4.6990 -4.6990 -4.6180 -4.6180 1.2680 1.2680 1.6012 1.6012 3.3457 3.3457 4.3812 4.3812 4.6865 4.6865 6.3566 6.3566 7.1252 7.1252 7.7874 7.7874 8.3047 8.3047 8.4897 8.4897 8.5122 8.5122 k =-0.4500 0.1545 0.4758 ( 2006 PWs) bands (ev): -5.4216 -5.4216 -4.6891 -4.6891 -4.5606 -4.5606 1.2323 1.2323 1.6167 1.6167 3.3531 3.3531 4.3509 4.3509 4.6670 4.6670 6.3879 6.3879 7.0785 7.0785 7.7350 7.7350 8.2955 8.2955 8.4994 8.4994 8.5546 8.5546 k =-0.4375 0.1502 0.4626 ( 2010 PWs) bands (ev): -5.4762 -5.4762 -4.6770 -4.6770 -4.4950 -4.4950 1.1873 1.1873 1.6366 1.6366 3.3621 3.3621 4.3058 4.3058 4.6527 4.6527 6.4223 6.4223 7.0245 7.0245 7.6750 7.6750 8.2733 8.2733 8.5144 8.5144 8.6045 8.6045 k =-0.4250 0.1459 0.4493 ( 2006 PWs) bands (ev): -5.5338 -5.5338 -4.6625 -4.6625 -4.4237 -4.4237 1.1334 1.1334 1.6608 1.6608 3.3723 3.3723 4.2460 4.2460 4.6461 4.6461 6.4564 6.4564 6.9660 6.9660 7.6097 7.6097 8.2395 8.2395 8.5330 8.5330 8.6571 8.6571 k =-0.4125 0.1416 0.4361 ( 1998 PWs) bands (ev): -5.5930 -5.5930 -4.6455 -4.6455 -4.3482 -4.3482 1.0713 1.0713 1.6892 1.6892 3.3832 3.3832 4.1743 4.1743 4.6467 4.6467 6.4870 6.4870 6.9058 6.9058 7.5410 7.5410 8.1968 8.1968 8.5543 8.5543 8.7082 8.7082 k =-0.4000 0.1373 0.4229 ( 2000 PWs) bands (ev): -5.6528 -5.6528 -4.6259 -4.6259 -4.2697 -4.2697 1.0017 1.0017 1.7218 1.7218 3.3936 3.3936 4.0947 4.0947 4.6532 4.6532 6.5103 6.5103 6.8467 6.8467 7.4703 7.4703 8.1467 8.1467 8.5780 8.5780 8.7551 8.7551 k =-0.3875 0.1330 0.4097 ( 1996 PWs) bands (ev): -5.7125 -5.7125 -4.6038 -4.6038 -4.1888 -4.1888 0.9251 0.9251 1.7584 1.7584 3.4018 3.4018 4.0115 4.0115 4.6639 4.6639 6.5220 6.5220 6.7924 6.7924 7.3985 7.3985 8.0907 8.0907 8.6043 8.6043 8.7970 8.7970 k =-0.3750 0.1287 0.3965 ( 2000 PWs) bands (ev): -5.7717 -5.7717 -4.5792 -4.5792 -4.1060 -4.1060 0.8424 0.8424 1.7989 1.7989 3.4049 3.4049 3.9300 3.9300 4.6779 4.6779 6.5170 6.5170 6.7474 6.7474 7.3264 7.3264 8.0296 8.0296 8.6334 8.6334 8.8336 8.8336 k =-0.3625 0.1244 0.3833 ( 1996 PWs) bands (ev): -5.8300 -5.8300 -4.5520 -4.5520 -4.0216 -4.0216 0.7541 0.7541 1.8431 1.8431 3.3978 3.3978 3.8569 3.8569 4.6943 4.6943 6.4921 6.4921 6.7146 6.7146 7.2546 7.2546 7.9641 7.9641 8.6648 8.6648 8.8650 8.8650 k =-0.3500 0.1201 0.3700 ( 2004 PWs) bands (ev): -5.8873 -5.8873 -4.5223 -4.5223 -3.9360 -3.9360 0.6609 0.6609 1.8907 1.8907 3.3736 3.3736 3.8005 3.8005 4.7124 4.7124 6.4502 6.4502 6.6913 6.6913 7.1837 7.1837 7.8947 7.8947 8.6980 8.6980 8.8912 8.8912 k =-0.3375 0.1158 0.3568 ( 2004 PWs) bands (ev): -5.9433 -5.9433 -4.4901 -4.4901 -3.8494 -3.8494 0.5633 0.5633 1.9413 1.9413 3.3267 3.3267 3.7675 3.7675 4.7319 4.7319 6.3977 6.3977 6.6713 6.6713 7.1139 7.1139 7.8218 7.8218 8.7316 8.7316 8.9122 8.9122 k =-0.3250 0.1116 0.3436 ( 1996 PWs) bands (ev): -5.9978 -5.9978 -4.4554 -4.4554 -3.7620 -3.7620 0.4620 0.4620 1.9944 1.9944 3.2585 3.2585 3.7579 3.7579 4.7524 4.7524 6.3400 6.3400 6.6497 6.6497 7.0456 7.0456 7.7459 7.7459 8.7643 8.7643 8.9285 8.9285 k =-0.3125 0.1073 0.3304 ( 1996 PWs) bands (ev): -6.0509 -6.0509 -4.4183 -4.4183 -3.6739 -3.6739 0.3575 0.3575 2.0490 2.0490 3.1758 3.1758 3.7662 3.7662 4.7736 4.7736 6.2803 6.2803 6.6241 6.6241 6.9793 6.9793 7.6673 7.6673 8.7944 8.7944 8.9405 8.9405 k =-0.3000 0.1030 0.3172 ( 1990 PWs) bands (ev): -6.1023 -6.1023 -4.3787 -4.3787 -3.5853 -3.5853 0.2503 0.2503 2.1037 2.1037 3.0862 3.0862 3.7866 3.7866 4.7955 4.7955 6.2201 6.2201 6.5935 6.5935 6.9151 6.9151 7.5864 7.5864 8.8203 8.8203 8.9487 8.9487 k =-0.2875 0.0987 0.3040 ( 1988 PWs) bands (ev): -6.1519 -6.1519 -4.3368 -4.3368 -3.4964 -3.4964 0.1409 0.1409 2.1563 2.1563 2.9963 2.9963 3.8151 3.8151 4.8177 4.8177 6.1605 6.1605 6.5577 6.5577 6.8532 6.8532 7.5036 7.5036 8.8408 8.8408 8.9537 8.9537 k =-0.2750 0.0944 0.2907 ( 1989 PWs) bands (ev): -6.1999 -6.1999 -4.2925 -4.2925 -3.4073 -3.4073 0.0296 0.0296 2.2024 2.2024 2.9128 2.9128 3.8496 3.8496 4.8401 4.8401 6.1021 6.1021 6.5170 6.5170 6.7937 6.7937 7.4190 7.4190 8.8553 8.8553 8.9561 8.9561 k =-0.2625 0.0901 0.2775 ( 1987 PWs) bands (ev): -6.2460 -6.2460 -4.2458 -4.2458 -3.3181 -3.3181 -0.0830 -0.0830 2.2347 2.2347 2.8447 2.8447 3.8885 3.8885 4.8627 4.8627 6.0452 6.0452 6.4717 6.4717 6.7367 6.7367 7.3331 7.3331 8.8637 8.8637 8.9564 8.9564 k =-0.2500 0.0858 0.2643 ( 2001 PWs) bands (ev): -6.2902 -6.2902 -4.1969 -4.1969 -3.2291 -3.2291 -0.1966 -0.1966 2.2427 2.2427 2.8033 2.8033 3.9310 3.9310 4.8853 4.8853 5.9900 5.9900 6.4224 6.4224 6.6821 6.6821 7.2462 7.2462 8.8666 8.8666 8.9549 8.9549 k =-0.2375 0.0815 0.2511 ( 1999 PWs) bands (ev): -6.3324 -6.3324 -4.1458 -4.1458 -3.1405 -3.1405 -0.3109 -0.3109 2.2181 2.2181 2.7977 2.7977 3.9767 3.9767 4.9078 4.9078 5.9368 5.9368 6.3697 6.3697 6.6298 6.6298 7.1586 7.1586 8.8649 8.8649 8.9523 8.9523 k =-0.2250 0.0772 0.2379 ( 2007 PWs) bands (ev): -6.3727 -6.3727 -4.0926 -4.0926 -3.0523 -3.0523 -0.4254 -0.4254 2.1627 2.1627 2.8264 2.8264 4.0251 4.0251 4.9301 4.9301 5.8856 5.8856 6.3142 6.3142 6.5793 6.5793 7.0706 7.0706 8.8595 8.8595 8.9487 8.9487 k =-0.2125 0.0729 0.2247 ( 2007 PWs) bands (ev): -6.4110 -6.4110 -4.0373 -4.0373 -2.9649 -2.9649 -0.5399 -0.5399 2.0863 2.0863 2.8800 2.8800 4.0761 4.0761 4.9523 4.9523 5.8365 5.8365 6.2564 6.2564 6.5305 6.5305 6.9828 6.9828 8.8517 8.8517 8.9447 8.9447 k =-0.2000 0.0687 0.2115 ( 2009 PWs) bands (ev): -6.4473 -6.4473 -3.9801 -3.9801 -2.8784 -2.8784 -0.6540 -0.6540 1.9981 1.9981 2.9495 2.9495 4.1292 4.1292 4.9741 4.9741 5.7895 5.7895 6.1968 6.1968 6.4828 6.4828 6.8955 6.8955 8.8424 8.8424 8.9407 8.9407 k =-0.1875 0.0644 0.1982 ( 2015 PWs) bands (ev): -6.4814 -6.4814 -3.9210 -3.9210 -2.7931 -2.7931 -0.7673 -0.7673 1.9041 1.9041 3.0291 3.0291 4.1844 4.1844 4.9955 4.9955 5.7447 5.7447 6.1358 6.1358 6.4359 6.4359 6.8095 6.8095 8.8326 8.8326 8.9369 8.9369 k =-0.1750 0.0601 0.1850 ( 2019 PWs) bands (ev): -6.5135 -6.5135 -3.8602 -3.8602 -2.7093 -2.7093 -0.8797 -0.8797 1.8079 1.8079 3.1152 3.1152 4.2415 4.2415 5.0165 5.0165 5.7020 5.7020 6.0737 6.0737 6.3891 6.3891 6.7256 6.7256 8.8232 8.8232 8.9337 8.9337 k =-0.1625 0.0558 0.1718 ( 2021 PWs) bands (ev): -6.5435 -6.5435 -3.7979 -3.7979 -2.6274 -2.6274 -0.9906 -0.9906 1.7116 1.7116 3.2060 3.2060 4.3002 4.3002 5.0371 5.0371 5.6613 5.6613 6.0108 6.0108 6.3412 6.3412 6.6450 6.6450 8.8149 8.8149 8.9311 8.9311 k =-0.1500 0.0515 0.1586 ( 2015 PWs) bands (ev): -6.5713 -6.5713 -3.7343 -3.7343 -2.5478 -2.5478 -1.0998 -1.0998 1.6168 1.6168 3.2997 3.2997 4.3604 4.3604 5.0572 5.0572 5.6224 5.6224 5.9475 5.9475 6.2908 6.2908 6.5695 6.5695 8.8084 8.8084 8.9294 8.9294 k =-0.1375 0.0472 0.1454 ( 2011 PWs) bands (ev): -6.5969 -6.5969 -3.6696 -3.6696 -2.4708 -2.4708 -1.2068 -1.2068 1.5247 1.5247 3.3955 3.3955 4.4217 4.4217 5.0768 5.0768 5.5852 5.5852 5.8843 5.8843 6.2364 6.2364 6.5010 6.5010 8.8042 8.8042 8.9285 8.9285 k =-0.1250 0.0429 0.1322 ( 2005 PWs) bands (ev): -6.6204 -6.6204 -3.6043 -3.6043 -2.3971 -2.3971 -1.3112 -1.3112 1.4362 1.4362 3.4922 3.4922 4.4839 4.4839 5.0960 5.0960 5.5492 5.5492 5.8219 5.8219 6.1762 6.1762 6.4412 6.4412 8.8028 8.8028 8.9286 8.9286 k =-0.1125 0.0386 0.1189 ( 2005 PWs) bands (ev): -6.6417 -6.6417 -3.5388 -3.5388 -2.3271 -2.3271 -1.4123 -1.4123 1.3522 1.3522 3.5890 3.5890 4.5463 4.5463 5.1150 5.1150 5.5139 5.5139 5.7613 5.7613 6.1099 6.1099 6.3909 6.3909 8.8045 8.8045 8.9296 8.9296 k =-0.1000 0.0343 0.1057 ( 2009 PWs) bands (ev): -6.6608 -6.6608 -3.4736 -3.4736 -2.2615 -2.2615 -1.5095 -1.5095 1.2736 1.2736 3.6847 3.6847 4.6085 4.6085 5.1339 5.1339 5.4785 5.4785 5.7038 5.7038 6.0382 6.0382 6.3496 6.3496 8.8094 8.8094 8.9315 8.9315 k =-0.0875 0.0300 0.0925 ( 2015 PWs) bands (ev): -6.6777 -6.6777 -3.4097 -3.4097 -2.2011 -2.2011 -1.6019 -1.6019 1.2013 1.2013 3.7783 3.7783 4.6695 4.6695 5.1530 5.1530 5.4422 5.4422 5.6512 5.6512 5.9628 5.9628 6.3159 6.3159 8.8175 8.8175 8.9345 8.9345 k =-0.0750 0.0257 0.0793 ( 2013 PWs) bands (ev): -6.6923 -6.6923 -3.3479 -3.3479 -2.1466 -2.1466 -1.6883 -1.6883 1.1362 1.1362 3.8683 3.8683 4.7280 4.7280 5.1728 5.1728 5.4045 5.4045 5.6054 5.6054 5.8854 5.8854 6.2887 6.2887 8.8284 8.8284 8.9385 8.9385 k =-0.0625 0.0215 0.0661 ( 2015 PWs) bands (ev): -6.7047 -6.7047 -3.2896 -3.2896 -2.0988 -2.0988 -1.7673 -1.7673 1.0791 1.0791 3.9529 3.9529 4.7821 4.7821 5.1934 5.1934 5.3665 5.3665 5.5677 5.5677 5.8073 5.8073 6.2668 6.2668 8.8415 8.8415 8.9439 8.9439 k =-0.0500 0.0172 0.0529 ( 2009 PWs) bands (ev): -6.7149 -6.7149 -3.2367 -3.2367 -2.0588 -2.0588 -1.8369 -1.8369 1.0309 1.0309 4.0298 4.0298 4.8296 4.8296 5.2136 5.2136 5.3331 5.3331 5.5384 5.5384 5.7301 5.7301 6.2496 6.2496 8.8556 8.8556 8.9509 8.9509 k =-0.0375 0.0129 0.0396 ( 2009 PWs) bands (ev): -6.7228 -6.7228 -3.1914 -3.1914 -2.0277 -2.0277 -1.8942 -1.8942 0.9924 0.9924 4.0960 4.0960 4.8679 4.8679 5.2257 5.2257 5.3170 5.3170 5.5169 5.5169 5.6549 5.6549 6.2365 6.2365 8.8687 8.8687 8.9596 8.9596 k =-0.0250 0.0086 0.0264 ( 2007 PWs) bands (ev): -6.7284 -6.7284 -3.1562 -3.1562 -2.0077 -2.0077 -1.9352 -1.9352 0.9644 0.9644 4.1477 4.1477 4.8948 4.8948 5.2199 5.2199 5.3324 5.3324 5.5021 5.5021 5.5840 5.5840 6.2274 6.2274 8.8790 8.8790 8.9693 8.9693 k =-0.0125 0.0043 0.0132 ( 2007 PWs) bands (ev): -6.7318 -6.7318 -3.1337 -3.1337 -2.0019 -2.0019 -1.9548 -1.9548 0.9473 0.9473 4.1810 4.1810 4.9101 4.9101 5.2086 5.2086 5.3675 5.3675 5.4928 5.4928 5.5224 5.5224 6.2219 6.2219 8.8855 8.8855 8.9776 8.9776 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -6.7329 -6.7329 -3.1259 -3.1259 -2.0033 -2.0033 -1.9583 -1.9583 0.9416 0.9416 4.1925 4.1925 4.9149 4.9149 5.2040 5.2040 5.3919 5.3919 5.4835 5.4835 5.4961 5.4961 6.2201 6.2201 8.8876 8.8876 8.9809 8.9809 k = 0.0000 0.0000 0.0000 ( 2007 PWs) bands (ev): -6.7329 -6.7329 -3.1259 -3.1259 -2.0033 -2.0033 -1.9583 -1.9583 0.9416 0.9416 4.1925 4.1925 4.9149 4.9149 5.2040 5.2040 5.3919 5.3919 5.4835 5.4835 5.4961 5.4961 6.2201 6.2201 8.8876 8.8876 8.9809 8.9809 k = 0.0062 0.0180-0.0000 ( 2015 PWs) bands (ev): -6.7314 -6.7314 -3.1248 -3.1248 -2.0024 -2.0024 -1.9574 -1.9574 0.9433 0.9433 4.1925 4.1925 4.8854 4.8854 5.1521 5.1521 5.2934 5.2934 5.5291 5.5291 5.5684 5.5684 6.2708 6.2708 8.8980 8.8980 8.9907 8.9907 k = 0.0124 0.0360-0.0000 ( 2011 PWs) bands (ev): -6.7268 -6.7268 -3.1215 -3.1215 -1.9997 -1.9997 -1.9549 -1.9549 0.9484 0.9484 4.1920 4.1920 4.8045 4.8045 5.0414 5.0414 5.1369 5.1369 5.6161 5.6161 5.6643 5.6643 6.4027 6.4027 8.9288 8.9288 9.0198 9.0198 k = 0.0185 0.0540-0.0000 ( 2011 PWs) bands (ev): -6.7192 -6.7192 -3.1159 -3.1159 -1.9954 -1.9954 -1.9508 -1.9508 0.9570 0.9570 4.1898 4.1898 4.6858 4.6858 4.9092 4.9092 4.9690 4.9690 5.7094 5.7094 5.7579 5.7579 6.5817 6.5817 8.9791 8.9791 9.0675 9.0675 k = 0.0247 0.0720-0.0000 ( 2011 PWs) bands (ev): -6.7085 -6.7085 -3.1081 -3.1081 -1.9893 -1.9893 -1.9450 -1.9450 0.9689 0.9689 4.1825 4.1825 4.5399 4.5399 4.7663 4.7663 4.8054 4.8054 5.7994 5.7994 5.8490 5.8490 6.7859 6.7859 9.0469 9.0469 9.1328 9.1328 k = 0.0309 0.0900-0.0000 ( 2003 PWs) bands (ev): -6.6947 -6.6947 -3.0981 -3.0981 -1.9815 -1.9815 -1.9376 -1.9376 0.9843 0.9843 4.1623 4.1623 4.3746 4.3746 4.6166 4.6166 4.6590 4.6590 5.8836 5.8836 5.9365 5.9365 7.0041 7.0041 9.1293 9.1293 9.2142 9.2142 k = 0.0371 0.1080-0.0000 ( 2011 PWs) bands (ev): -6.6779 -6.6779 -3.0861 -3.0861 -1.9721 -1.9721 -1.9288 -1.9288 1.0030 1.0030 4.1083 4.1083 4.2052 4.2052 4.4622 4.4622 4.5434 4.5434 5.9614 5.9614 6.0198 6.0198 7.2307 7.2307 9.2201 9.2201 9.3100 9.3100 k = 0.0432 0.1260-0.0000 ( 2011 PWs) bands (ev): -6.6580 -6.6580 -3.0719 -3.0719 -1.9612 -1.9612 -1.9186 -1.9186 1.0252 1.0252 3.9707 3.9707 4.0726 4.0726 4.3045 4.3045 4.4716 4.4716 6.0331 6.0331 6.0985 6.0985 7.4627 7.4627 9.2992 9.2992 9.4178 9.4178 k = 0.0494 0.1440-0.0000 ( 2002 PWs) bands (ev): -6.6351 -6.6351 -3.0557 -3.0557 -1.9489 -1.9489 -1.9070 -1.9070 1.0507 1.0507 3.7836 3.7836 3.9484 3.9484 4.1448 4.1448 4.4414 4.4414 6.0993 6.0993 6.1727 6.1727 7.6981 7.6981 9.2939 9.2939 9.5262 9.5262 k = 0.0556 0.1620-0.0000 ( 2010 PWs) bands (ev): -6.6092 -6.6092 -3.0376 -3.0376 -1.9353 -1.9353 -1.8942 -1.8942 1.0796 1.0796 3.5885 3.5885 3.8083 3.8083 3.9840 3.9840 4.4376 4.4376 6.1607 6.1607 6.2427 6.2427 7.9356 7.9356 9.1821 9.1821 9.5355 9.5355 k = 0.0618 0.1800-0.0000 ( 2010 PWs) bands (ev): -6.5801 -6.5801 -3.0176 -3.0176 -1.9205 -1.9205 -1.8804 -1.8804 1.1118 1.1118 3.3922 3.3922 3.6589 3.6589 3.8231 3.8231 4.4487 4.4487 6.2180 6.2180 6.3091 6.3091 8.1742 8.1742 9.0324 9.0324 9.5558 9.5558 k = 0.0680 0.1980-0.0000 ( 2010 PWs) bands (ev): -6.5481 -6.5481 -2.9959 -2.9959 -1.9048 -1.9048 -1.8657 -1.8657 1.1473 1.1473 3.1970 3.1970 3.5053 3.5053 3.6629 3.6629 4.4688 4.4688 6.2719 6.2719 6.3724 6.3724 8.4131 8.4131 8.8699 8.8699 9.5833 9.5833 k = 0.0741 0.2160-0.0000 ( 2010 PWs) bands (ev): -6.5129 -6.5129 -2.9726 -2.9726 -1.8882 -1.8882 -1.8503 -1.8503 1.1862 1.1862 3.0039 3.0039 3.3503 3.3503 3.5042 3.5042 4.4951 4.4951 6.3229 6.3229 6.4331 6.4331 8.6512 8.6512 8.7013 8.7013 9.6153 9.6153 k = 0.0803 0.2340-0.0000 ( 2002 PWs) bands (ev): -6.4748 -6.4748 -2.9478 -2.9478 -1.8710 -1.8710 -1.8345 -1.8345 1.2283 1.2283 2.8137 2.8137 3.1958 3.1958 3.3477 3.3477 4.5262 4.5262 6.3716 6.3716 6.4918 6.4918 8.5293 8.5293 8.8876 8.8876 9.6508 9.6508 k = 0.0865 0.2520-0.0000 ( 2002 PWs) bands (ev): -6.4336 -6.4336 -2.9216 -2.9216 -1.8535 -1.8535 -1.8184 -1.8184 1.2736 1.2736 2.6268 2.6268 3.0429 3.0429 3.1942 3.1942 4.5614 4.5614 6.4184 6.4184 6.5488 6.5488 8.3553 8.3553 9.1213 9.1213 9.6895 9.6895 k = 0.0927 0.2700-0.0000 ( 2002 PWs) bands (ev): -6.3893 -6.3893 -2.8944 -2.8944 -1.8359 -1.8359 -1.8025 -1.8025 1.3220 1.3220 2.4439 2.4439 2.8926 2.8926 3.0443 3.0443 4.6001 4.6001 6.4635 6.4635 6.6047 6.6047 8.1803 8.1803 9.3510 9.3510 9.7312 9.7312 k = 0.0989 0.2880-0.0000 ( 2002 PWs) bands (ev): -6.3420 -6.3420 -2.8663 -2.8663 -1.8186 -1.8186 -1.7869 -1.7869 1.3734 1.3734 2.2652 2.2652 2.7458 2.7458 2.8989 2.8989 4.6422 4.6422 6.5071 6.5071 6.6597 6.6597 8.0051 8.0051 9.5750 9.5750 9.7757 9.7757 k = 0.1050 0.3060-0.0000 ( 2002 PWs) bands (ev): -6.2917 -6.2917 -2.8376 -2.8376 -1.8020 -1.8020 -1.7721 -1.7721 1.4278 1.4278 2.0912 2.0912 2.6033 2.6033 2.7586 2.7586 4.6874 4.6874 6.5493 6.5493 6.7140 6.7140 7.8301 7.8301 9.7910 9.7910 9.8230 9.8230 k = 0.1112 0.3240-0.0000 ( 1998 PWs) bands (ev): -6.2384 -6.2384 -2.8086 -2.8086 -1.7864 -1.7864 -1.7586 -1.7586 1.4847 1.4847 1.9224 1.9224 2.4658 2.4658 2.6244 2.6244 4.7356 4.7356 6.5901 6.5901 6.7679 6.7679 7.6560 7.6560 9.8727 9.8727 9.9948 9.9948 k = 0.1174 0.3420-0.0000 ( 2026 PWs) bands (ev): -6.1820 -6.1820 -2.7796 -2.7796 -1.7725 -1.7725 -1.7467 -1.7467 1.5439 1.5439 1.7592 1.7592 2.3340 2.3340 2.4974 2.4974 4.7865 4.7865 6.6289 6.6289 6.8213 6.8213 7.4833 7.4833 9.9240 9.9240 10.0228 10.0228 k = 0.1236 0.3600-0.0000 ( 2010 PWs) bands (ev): -6.1226 -6.1226 -2.7510 -2.7510 -1.7605 -1.7605 -1.7370 -1.7370 1.6000 1.6000 1.6067 1.6067 2.2087 2.2087 2.3789 2.3789 4.8403 4.8403 6.6654 6.6654 6.8743 6.8743 7.3127 7.3127 9.9107 9.9107 9.9824 9.9824 k = 0.1297 0.3780-0.0000 ( 2006 PWs) bands (ev): -6.0602 -6.0602 -2.7234 -2.7234 -1.7513 -1.7513 -1.7299 -1.7299 1.4514 1.4514 1.6655 1.6655 2.0906 2.0906 2.2712 2.2712 4.8967 4.8967 6.6977 6.6977 6.9268 6.9268 7.1459 7.1459 9.7942 9.7942 10.0348 10.0348 k = 0.1359 0.3960-0.0000 ( 2010 PWs) bands (ev): -5.9947 -5.9947 -2.6972 -2.6972 -1.7453 -1.7453 -1.7262 -1.7262 1.3080 1.3080 1.7228 1.7228 1.9805 1.9805 2.1783 2.1783 4.9557 4.9557 6.7203 6.7203 6.9788 6.9788 6.9884 6.9884 9.6696 9.6696 10.0834 10.0834 k = 0.1421 0.4140-0.0000 ( 2002 PWs) bands (ev): -5.9263 -5.9263 -2.6731 -2.6731 -1.7432 -1.7432 -1.7263 -1.7263 1.1725 1.1725 1.7687 1.7687 1.8792 1.8792 2.1090 2.1090 5.0172 5.0172 6.7032 6.7032 6.8698 6.8698 7.0298 7.0298 9.5409 9.5409 10.1035 10.1035 k = 0.1483 0.4320-0.0000 ( 2002 PWs) bands (ev): -5.8548 -5.8548 -2.6517 -2.6517 -1.7456 -1.7456 -1.7308 -1.7308 1.0455 1.0455 1.7847 1.7847 1.7895 1.7895 2.0803 2.0803 5.0812 5.0812 6.5925 6.5925 6.8437 6.8437 7.0797 7.0797 9.4100 9.4100 10.0386 10.0386 k = 0.1545 0.4500-0.0000 ( 2010 PWs) bands (ev): -5.7804 -5.7804 -2.6337 -2.6337 -1.7532 -1.7532 -1.7403 -1.7403 0.9278 0.9278 1.7057 1.7057 1.7681 1.7681 2.1022 2.1022 5.1475 5.1475 6.4416 6.4416 6.8560 6.8560 7.1279 7.1279 9.2780 9.2780 9.9433 9.9433 k = 0.1606 0.4680-0.0000 ( 2022 PWs) bands (ev): -5.7030 -5.7030 -2.6198 -2.6198 -1.7665 -1.7665 -1.7553 -1.7553 0.8202 0.8202 1.6351 1.6351 1.7284 1.7284 2.1588 2.1588 5.2161 5.2161 6.2842 6.2842 6.8727 6.8727 7.1738 7.1738 9.1456 9.1456 9.8459 9.8459 k = 0.1668 0.4860-0.0000 ( 2030 PWs) bands (ev): -5.6226 -5.6226 -2.6110 -2.6110 -1.7860 -1.7860 -1.7762 -1.7762 0.7235 0.7235 1.5760 1.5760 1.6858 1.6858 2.2329 2.2329 5.2869 5.2869 6.1264 6.1264 6.8867 6.8867 7.2168 7.2168 9.0133 9.0133 9.7491 9.7491 k = 0.1730 0.5040-0.0000 ( 2030 PWs) bands (ev): -5.5392 -5.5392 -2.6079 -2.6079 -1.8121 -1.8121 -1.8032 -1.8032 0.6386 0.6386 1.5288 1.5288 1.6485 1.6485 2.3165 2.3165 5.3598 5.3598 5.9697 5.9697 6.8959 6.8959 7.2558 7.2558 8.8815 8.8815 9.6554 9.6554 k = 0.1792 0.5220-0.0000 ( 2038 PWs) bands (ev): -5.4529 -5.4529 -2.6113 -2.6113 -1.8450 -1.8450 -1.8366 -1.8366 0.5661 0.5661 1.4937 1.4937 1.6201 1.6201 2.4064 2.4064 5.4347 5.4347 5.8148 5.8148 6.8988 6.8988 7.2897 7.2897 8.7503 8.7503 9.5667 9.5667 k = 0.1853 0.5400-0.0000 ( 2038 PWs) bands (ev): -5.3636 -5.3636 -2.6218 -2.6218 -1.8846 -1.8846 -1.8765 -1.8765 0.5067 0.5067 1.4710 1.4710 1.6019 1.6019 2.5011 2.5011 5.5115 5.5115 5.6620 5.6620 6.8944 6.8944 7.3174 7.3174 8.6198 8.6198 9.4851 9.4851 k = 0.1915 0.5580-0.0000 ( 2030 PWs) bands (ev): -5.2714 -5.2714 -2.6399 -2.6399 -1.9308 -1.9308 -1.9227 -1.9227 0.4609 0.4609 1.4605 1.4605 1.5945 1.5945 2.6000 2.6000 5.5115 5.5115 5.5901 5.5901 6.8819 6.8819 7.3374 7.3374 8.4903 8.4903 9.4126 9.4126 k = 0.1977 0.5760-0.0000 ( 2030 PWs) bands (ev): -5.1762 -5.1762 -2.6659 -2.6659 -1.9833 -1.9833 -1.9751 -1.9751 0.4290 0.4290 1.4620 1.4620 1.5982 1.5982 2.7025 2.7025 5.3635 5.3635 5.6704 5.6704 6.8607 6.8607 7.3483 7.3483 8.3616 8.3616 9.3512 9.3512 k = 0.2039 0.5940-0.0000 ( 2030 PWs) bands (ev): -5.0782 -5.0782 -2.6998 -2.6998 -2.0416 -2.0416 -2.0333 -2.0333 0.4111 0.4111 1.4752 1.4752 1.6128 1.6128 2.8085 2.8085 5.2182 5.2182 5.7522 5.7522 6.8307 6.8307 7.3489 7.3489 8.2338 8.2338 9.3023 9.3023 k = 0.2101 0.6120-0.0000 ( 2030 PWs) bands (ev): -4.9773 -4.9773 -2.7414 -2.7414 -2.1052 -2.1052 -2.0968 -2.0968 0.4069 0.4069 1.4995 1.4995 1.6379 1.6379 2.9175 2.9175 5.0756 5.0756 5.8355 5.8355 6.7919 6.7919 7.3381 7.3381 8.1071 8.1071 9.2674 9.2674 k = 0.2162 0.6300-0.0000 ( 2030 PWs) bands (ev): -4.8734 -4.8734 -2.7905 -2.7905 -2.1736 -2.1736 -2.1651 -2.1651 0.4162 0.4162 1.5344 1.5344 1.6732 1.6732 3.0296 3.0296 4.9360 4.9360 5.9200 5.9200 6.7448 6.7448 7.3155 7.3155 7.9814 7.9814 9.2470 9.2470 k = 0.2224 0.6480-0.0000 ( 2022 PWs) bands (ev): -4.7668 -4.7668 -2.8463 -2.8463 -2.2462 -2.2462 -2.2374 -2.2374 0.4383 0.4383 1.5793 1.5793 1.7181 1.7181 3.1443 3.1443 4.7995 4.7995 6.0057 6.0057 6.6898 6.6898 7.2811 7.2811 7.8569 7.8569 9.2412 9.2412 k = 0.2286 0.6660-0.0000 ( 2030 PWs) bands (ev): -4.6573 -4.6573 -2.9082 -2.9082 -2.3224 -2.3224 -2.3133 -2.3133 0.4726 0.4726 1.6336 1.6336 1.7721 1.7721 3.2613 3.2613 4.6665 4.6665 6.0922 6.0922 6.6279 6.6279 7.2356 7.2356 7.7336 7.7336 9.2495 9.2495 k = 0.2348 0.6840-0.0000 ( 2030 PWs) bands (ev): -4.5449 -4.5449 -2.9755 -2.9755 -2.4015 -2.4015 -2.3920 -2.3920 0.5182 0.5182 1.6966 1.6966 1.8347 1.8347 3.3801 3.3801 4.5377 4.5377 6.1795 6.1795 6.5600 6.5600 7.1802 7.1802 7.6117 7.6117 9.2707 9.2707 k = 0.2410 0.7020-0.0000 ( 2030 PWs) bands (ev): -4.4298 -4.4298 -3.0472 -3.0472 -2.4830 -2.4830 -2.4730 -2.4730 0.5744 0.5744 1.7679 1.7679 1.9052 1.9052 3.4994 3.4994 4.4140 4.4140 6.2672 6.2672 6.4869 6.4869 7.1161 7.1161 7.4913 7.4913 9.3035 9.3035 k = 0.2471 0.7200-0.0000 ( 2026 PWs) bands (ev): -4.3119 -4.3119 -3.1227 -3.1227 -2.5663 -2.5663 -2.5558 -2.5558 0.6403 0.6403 1.8467 1.8467 1.9831 1.9831 3.6167 3.6167 4.2982 4.2982 6.3553 6.3553 6.4097 6.4097 7.0448 7.0448 7.3725 7.3725 9.3462 9.3462 k = 0.2533 0.7380-0.0000 ( 2026 PWs) bands (ev): -4.1913 -4.1913 -3.2013 -3.2013 -2.6509 -2.6509 -2.6398 -2.6398 0.7153 0.7153 1.9327 1.9327 2.0680 2.0680 3.7242 3.7242 4.1979 4.1979 6.3291 6.3291 6.4433 6.4433 6.9680 6.9680 7.2553 7.2553 9.3973 9.3973 k = 0.2595 0.7560-0.0000 ( 2034 PWs) bands (ev): -4.0680 -4.0680 -3.2820 -3.2820 -2.7364 -2.7364 -2.7246 -2.7246 0.7985 0.7985 2.0254 2.0254 2.1594 2.1594 3.7974 3.7974 4.1378 4.1378 6.2461 6.2461 6.5309 6.5309 6.8870 6.8870 7.1399 7.1399 9.4550 9.4550 k = 0.2657 0.7740-0.0000 ( 2034 PWs) bands (ev): -3.9420 -3.9420 -3.3644 -3.3644 -2.8223 -2.8223 -2.8098 -2.8098 0.8893 0.8893 2.1242 2.1242 2.2567 2.2567 3.7908 3.7908 4.1633 4.1633 6.1612 6.1612 6.6170 6.6170 6.8037 6.8037 7.0264 7.0264 9.5180 9.5180 k = 0.2718 0.7920-0.0000 ( 2042 PWs) bands (ev): -3.8134 -3.8134 -3.4479 -3.4479 -2.9082 -2.9082 -2.8950 -2.8950 0.9872 0.9872 2.2290 2.2290 2.3595 2.3595 3.7193 3.7193 4.2597 4.2597 6.0752 6.0752 6.6869 6.6869 6.7337 6.7337 6.9149 6.9149 9.5845 9.5845 k = 0.2780 0.8100-0.0000 ( 2026 PWs) bands (ev): -3.6822 -3.6822 -3.5319 -3.5319 -2.9939 -2.9939 -2.9800 -2.9800 1.0915 1.0915 2.3392 2.3392 2.4671 2.4671 3.6261 3.6261 4.3837 4.3837 5.9885 5.9885 6.6224 6.6224 6.7957 6.7957 6.8055 6.8055 9.6521 9.6521 k = 0.2842 0.8280-0.0000 ( 2030 PWs) bands (ev): -3.6162 -3.6162 -3.5482 -3.5482 -3.0790 -3.0790 -3.0643 -3.0643 1.2019 1.2019 2.4546 2.4546 2.5788 2.5788 3.5281 3.5281 4.5189 4.5189 5.9018 5.9018 6.5350 6.5350 6.6983 6.6983 6.8785 6.8785 9.7125 9.7125 k = 0.2904 0.8460-0.0000 ( 2030 PWs) bands (ev): -3.7000 -3.7000 -3.4121 -3.4121 -3.1632 -3.1632 -3.1478 -3.1478 1.3179 1.3179 2.5750 2.5750 2.6933 2.6933 3.4314 3.4314 4.6598 4.6598 5.8155 5.8155 6.4464 6.4464 6.5935 6.5935 6.9606 6.9606 9.7007 9.7007 k = 0.2966 0.8640-0.0000 ( 2018 PWs) bands (ev): -3.7832 -3.7832 -3.2738 -3.2738 -3.2462 -3.2462 -3.2299 -3.2299 1.4391 1.4391 2.7001 2.7001 2.8076 2.8076 3.3408 3.3408 4.8040 4.8040 5.7302 5.7302 6.3579 6.3579 6.4913 6.4913 7.0410 7.0410 9.6238 9.6238 k = 0.3027 0.8820-0.0000 ( 2018 PWs) bands (ev): -3.8656 -3.8656 -3.3282 -3.3282 -3.3116 -3.3116 -3.1320 -3.1320 1.5652 1.5652 2.8295 2.8295 2.9122 2.9122 3.2662 3.2662 4.9498 4.9498 5.6468 5.6468 6.2701 6.2701 6.3922 6.3922 7.1190 7.1190 9.5408 9.5408 k = 0.3089 0.9000-0.0000 ( 2018 PWs) bands (ev): -3.9468 -3.9468 -3.4085 -3.4085 -3.3913 -3.3913 -2.9886 -2.9886 1.6959 1.6959 2.9630 2.9630 2.9740 2.9740 3.2412 3.2412 5.0942 5.0942 5.5671 5.5671 6.1834 6.1834 6.2968 6.2968 7.1943 7.1943 9.4578 9.4578 k = 0.3089 0.9000-0.0000 ( 2018 PWs) bands (ev): -3.9468 -3.9468 -3.4085 -3.4085 -3.3913 -3.3913 -2.9886 -2.9886 1.6959 1.6959 2.9630 2.9630 2.9740 2.9740 3.2412 3.2412 5.0942 5.0942 5.5671 5.5671 6.1834 6.1834 6.2968 6.2968 7.1943 7.1943 9.4578 9.4578 k = 0.3069 0.8942 0.0176 ( 2022 PWs) bands (ev): -3.9284 -3.9284 -3.3775 -3.3775 -3.3632 -3.3632 -3.0335 -3.0335 1.6489 1.6489 2.9217 2.9217 2.9629 2.9629 3.2429 3.2429 5.0509 5.0509 5.5747 5.5747 6.1584 6.1584 6.3946 6.3946 7.1681 7.1681 9.4828 9.4828 k = 0.3050 0.8885 0.0352 ( 2021 PWs) bands (ev): -3.9229 -3.9229 -3.3471 -3.3471 -3.3190 -3.3190 -3.0762 -3.0762 1.5928 1.5928 2.8831 2.8831 2.9441 2.9441 3.2595 3.2595 5.0127 5.0127 5.5491 5.5491 6.1186 6.1186 6.5372 6.5372 7.1363 7.1363 9.5032 9.5032 k = 0.3030 0.8828 0.0529 ( 2021 PWs) bands (ev): -3.9269 -3.9269 -3.3211 -3.3211 -3.2592 -3.2592 -3.1158 -3.1158 1.5288 1.5288 2.8466 2.8466 2.9204 2.9204 3.2881 3.2881 4.9796 4.9796 5.4960 5.4960 6.0947 6.0947 6.6877 6.6877 7.0992 7.0992 9.5158 9.5158 k = 0.3011 0.8771 0.0705 ( 2021 PWs) bands (ev): -3.9370 -3.9370 -3.2960 -3.2960 -3.1995 -3.1995 -3.1440 -3.1440 1.4583 1.4583 2.8114 2.8114 2.8944 2.8944 3.3260 3.3260 4.9486 4.9486 5.4266 5.4266 6.0851 6.0851 6.8367 6.8367 7.0583 7.0583 9.5171 9.5171 k = 0.2991 0.8713 0.0881 ( 2021 PWs) bands (ev): -3.9506 -3.9506 -3.2712 -3.2712 -3.2040 -3.2040 -3.1003 -3.1003 1.3831 1.3831 2.7770 2.7770 2.8678 2.8678 3.3712 3.3712 4.9139 4.9139 5.3549 5.3549 6.0849 6.0849 6.9560 6.9560 7.0386 7.0386 9.5052 9.5052 k = 0.2971 0.8656 0.1057 ( 2010 PWs) bands (ev): -3.9657 -3.9657 -3.2476 -3.2476 -3.2353 -3.2353 -3.0236 -3.0236 1.3050 1.3050 2.7428 2.7428 2.8412 2.8412 3.4224 3.4224 4.8664 4.8664 5.2957 5.2957 6.0899 6.0899 6.9348 6.9348 7.1486 7.1486 9.4802 9.4802 k = 0.2952 0.8599 0.1233 ( 2012 PWs) bands (ev): -3.9811 -3.9811 -3.2698 -3.2698 -3.2214 -3.2214 -2.9431 -2.9431 1.2258 1.2258 2.7089 2.7089 2.8147 2.8147 3.4789 3.4789 4.7978 4.7978 5.2608 5.2608 6.0976 6.0976 6.8770 6.8770 7.2834 7.2834 9.4438 9.4438 k = 0.2932 0.8542 0.1410 ( 2012 PWs) bands (ev): -3.9961 -3.9961 -3.3012 -3.3012 -3.1970 -3.1970 -2.8622 -2.8622 1.1473 1.1473 2.6752 2.6752 2.7883 2.7883 3.5399 3.5399 4.7070 4.7070 5.2530 5.2530 6.1063 6.1063 6.8116 6.8116 7.4133 7.4133 9.3985 9.3985 k = 0.2912 0.8485 0.1586 ( 2015 PWs) bands (ev): -4.0100 -4.0100 -3.3311 -3.3311 -3.1725 -3.1725 -2.7825 -2.7825 1.0713 1.0713 2.6419 2.6419 2.7617 2.7617 3.6051 3.6051 4.5993 4.5993 5.2680 5.2680 6.1152 6.1152 6.7412 6.7412 7.5356 7.5356 9.3466 9.3466 k = 0.2893 0.8427 0.1762 ( 2014 PWs) bands (ev): -4.0224 -4.0224 -3.3594 -3.3594 -3.1480 -3.1480 -2.7054 -2.7054 0.9997 0.9997 2.6091 2.6091 2.7346 2.7346 3.6741 3.6741 4.4810 4.4810 5.2999 5.2999 6.1237 6.1237 6.6668 6.6668 7.6495 7.6495 9.2900 9.2900 k = 0.2873 0.8370 0.1938 ( 2016 PWs) bands (ev): -4.0330 -4.0330 -3.3861 -3.3861 -3.1235 -3.1235 -2.6322 -2.6322 0.9342 0.9342 2.5769 2.5769 2.7069 2.7069 3.7465 3.7465 4.3565 4.3565 5.3444 5.3444 6.1314 6.1314 6.5895 6.5895 7.7550 7.7550 9.2305 9.2305 k = 0.2853 0.8313 0.2115 ( 2016 PWs) bands (ev): -4.0417 -4.0417 -3.4111 -3.4111 -3.0989 -3.0989 -2.5642 -2.5642 0.8766 0.8766 2.5454 2.5454 2.6785 2.6785 3.8217 3.8217 4.2289 4.2289 5.3984 5.3984 6.1380 6.1380 6.5098 6.5098 7.8521 7.8521 9.1694 9.1694 k = 0.2834 0.8256 0.2291 ( 2016 PWs) bands (ev): -4.0483 -4.0483 -3.4346 -3.4346 -3.0742 -3.0742 -2.5027 -2.5027 0.8286 0.8286 2.5145 2.5145 2.6493 2.6493 3.8980 3.8980 4.1013 4.1013 5.4597 5.4597 6.1433 6.1433 6.4287 6.4287 7.9413 7.9413 9.1081 9.1081 k = 0.2814 0.8199 0.2467 ( 2014 PWs) bands (ev): -4.0527 -4.0527 -3.4566 -3.4566 -3.0495 -3.0495 -2.4489 -2.4489 0.7920 0.7920 2.4844 2.4844 2.6195 2.6195 3.9389 3.9389 4.0111 4.0111 5.5266 5.5266 6.1469 6.1469 6.3472 6.3472 8.0230 8.0230 9.0477 9.0477 k = 0.2795 0.8141 0.2643 ( 2014 PWs) bands (ev): -4.0548 -4.0548 -3.4772 -3.4772 -3.0246 -3.0246 -2.4040 -2.4040 0.7681 0.7681 2.4550 2.4550 2.5890 2.5890 3.8276 3.8276 4.0755 4.0755 5.5977 5.5977 6.1474 6.1474 6.2670 6.2670 8.0980 8.0980 8.9895 8.9895 k = 0.2775 0.8084 0.2819 ( 2010 PWs) bands (ev): -4.0545 -4.0545 -3.4966 -3.4966 -2.9996 -2.9996 -2.3688 -2.3688 0.7584 0.7584 2.4263 2.4263 2.5578 2.5578 3.6990 3.6990 4.1600 4.1600 5.6715 5.6715 6.1370 6.1370 6.1969 6.1969 8.1669 8.1669 8.9345 8.9345 k = 0.2755 0.8027 0.2996 ( 2008 PWs) bands (ev): -4.0519 -4.0519 -3.5150 -3.5150 -2.9745 -2.9745 -2.3440 -2.3440 0.7638 0.7638 2.3981 2.3981 2.5261 2.5261 3.5699 3.5699 4.2479 4.2479 5.7466 5.7466 6.0840 6.0840 6.1689 6.1689 8.2304 8.2304 8.8837 8.8837 k = 0.2736 0.7970 0.3172 ( 2010 PWs) bands (ev): -4.0468 -4.0468 -3.5324 -3.5324 -2.9492 -2.9492 -2.3297 -2.3297 0.7849 0.7849 2.3705 2.3705 2.4938 2.4938 3.4416 3.4416 4.3376 4.3376 5.8213 5.8213 6.0089 6.0089 6.1638 6.1638 8.2892 8.2892 8.8383 8.8383 k = 0.2716 0.7913 0.3348 ( 2009 PWs) bands (ev): -4.0392 -4.0392 -3.5492 -3.5492 -2.9237 -2.9237 -2.3259 -2.3259 0.8218 0.8218 2.3433 2.3433 2.4612 2.4612 3.3148 3.3148 4.4286 4.4286 5.8895 5.8895 5.9369 5.9369 6.1616 6.1616 8.3440 8.3440 8.7994 8.7994 k = 0.2696 0.7855 0.3524 ( 2009 PWs) bands (ev): -4.0291 -4.0291 -3.5655 -3.5655 -2.8981 -2.8981 -2.3318 -2.3318 0.8744 0.8744 2.3164 2.3164 2.4281 2.4281 3.1897 3.1897 4.5202 4.5202 5.8505 5.8505 5.9700 5.9700 6.1602 6.1602 8.3954 8.3954 8.7680 8.7680 k = 0.2677 0.7798 0.3700 ( 2009 PWs) bands (ev): -4.0166 -4.0166 -3.5818 -3.5818 -2.8722 -2.8722 -2.3466 -2.3466 0.9420 0.9420 2.2898 2.2898 2.3948 2.3948 3.0665 3.0665 4.6117 4.6117 5.7774 5.7774 6.0336 6.0336 6.1602 6.1602 8.4441 8.4441 8.7451 8.7451 k = 0.2657 0.7741 0.3877 ( 2003 PWs) bands (ev): -4.0015 -4.0015 -3.5982 -3.5982 -2.8461 -2.8461 -2.3689 -2.3689 1.0237 1.0237 2.2632 2.2632 2.3613 2.3613 2.9455 2.9455 4.7026 4.7026 5.7060 5.7060 6.0878 6.0878 6.1650 6.1650 8.4909 8.4909 8.7315 8.7315 k = 0.2637 0.7684 0.4053 ( 2005 PWs) bands (ev): -3.9839 -3.9839 -3.6152 -3.6152 -2.8198 -2.8198 -2.3973 -2.3973 1.1185 1.1185 2.2366 2.2366 2.3276 2.3276 2.8269 2.8269 4.7919 4.7919 5.6375 5.6375 6.1212 6.1212 6.1842 6.1842 8.5368 8.5368 8.7275 8.7275 k = 0.2618 0.7627 0.4229 ( 2010 PWs) bands (ev): -3.9639 -3.9639 -3.6331 -3.6331 -2.7933 -2.7933 -2.4302 -2.4302 1.2253 1.2253 2.2097 2.2097 2.2939 2.2939 2.7108 2.7108 4.8786 4.8786 5.5724 5.5724 6.1333 6.1333 6.2173 6.2173 8.5830 8.5830 8.7330 8.7330 k = 0.2598 0.7569 0.4405 ( 2006 PWs) bands (ev): -3.9414 -3.9414 -3.6526 -3.6526 -2.7666 -2.7666 -2.4660 -2.4660 1.3430 1.3430 2.1823 2.1823 2.2604 2.2604 2.5974 2.5974 4.9616 4.9616 5.5109 5.5109 6.1394 6.1394 6.2484 6.2484 8.6310 8.6310 8.7472 8.7472 k = 0.2579 0.7512 0.4582 ( 2006 PWs) bands (ev): -3.9164 -3.9164 -3.6740 -3.6740 -2.7397 -2.7397 -2.5032 -2.5032 1.4703 1.4703 2.1542 2.1542 2.2271 2.2271 2.4869 2.4869 5.0395 5.0395 5.4535 5.4535 6.1468 6.1468 6.2702 6.2702 8.6814 8.6814 8.7693 8.7693 k = 0.2559 0.7455 0.4758 ( 2002 PWs) bands (ev): -3.8890 -3.8890 -3.6978 -3.6978 -2.7126 -2.7126 -2.5404 -2.5404 1.6061 1.6061 2.1252 2.1252 2.1942 2.1942 2.3798 2.3798 5.1106 5.1106 5.4003 5.4003 6.1583 6.1583 6.2804 6.2804 8.7335 8.7335 8.7986 8.7986 k = 0.2539 0.7398 0.4934 ( 2000 PWs) bands (ev): -3.8591 -3.8591 -3.7246 -3.7246 -2.6853 -2.6853 -2.5762 -2.5762 1.7490 1.7490 2.0947 2.0947 2.1616 2.1616 2.2771 2.2771 5.1735 5.1735 5.3515 5.3515 6.1757 6.1757 6.2775 6.2775 8.7832 8.7832 8.8345 8.8345 k = 0.2520 0.7340 0.5110 ( 1998 PWs) bands (ev): -3.8270 -3.8270 -3.7546 -3.7546 -2.6579 -2.6579 -2.6093 -2.6093 1.8961 1.8961 2.0618 2.0618 2.1286 2.1286 2.1825 2.1825 5.2268 5.2268 5.3072 5.3072 6.2007 6.2007 6.2609 6.2609 8.8267 8.8267 8.8675 8.8675 k = 0.2500 0.7283 0.5286 ( 2004 PWs) bands (ev): -3.7936 -3.7936 -3.7873 -3.7873 -2.6390 -2.6390 -2.6303 -2.6303 2.0163 2.0163 2.0224 2.0224 2.1104 2.1104 2.1156 2.1156 5.2676 5.2676 5.2695 5.2695 6.2303 6.2303 6.2341 6.2341 8.8625 8.8625 8.8665 8.8665 k = 0.2500 0.7283 0.5286 ( 2004 PWs) bands (ev): -3.7936 -3.7936 -3.7873 -3.7873 -2.6390 -2.6390 -2.6303 -2.6303 2.0163 2.0163 2.0224 2.0224 2.1104 2.1104 2.1156 2.1156 5.2676 5.2676 5.2695 5.2695 6.2303 6.2303 6.2341 6.2341 8.8625 8.8625 8.8665 8.8665 k = 0.2375 0.7326 0.5154 ( 2000 PWs) bands (ev): -3.7941 -3.7941 -3.7879 -3.7879 -2.6377 -2.6377 -2.6291 -2.6291 1.9415 1.9415 1.9810 1.9810 2.1516 2.1516 2.1943 2.1943 5.2656 5.2656 5.2678 5.2678 6.2246 6.2246 6.2364 6.2364 8.8342 8.8342 8.8544 8.8544 k = 0.2250 0.7369 0.5022 ( 1998 PWs) bands (ev): -3.7957 -3.7957 -3.7895 -3.7895 -2.6339 -2.6339 -2.6253 -2.6253 1.8513 1.8513 1.8917 1.8917 2.2446 2.2446 2.2914 2.2914 5.2597 5.2597 5.2626 5.2626 6.2141 6.2141 6.2363 6.2363 8.7800 8.7800 8.8126 8.8126 k = 0.2125 0.7412 0.4890 ( 2002 PWs) bands (ev): -3.7982 -3.7982 -3.7921 -3.7921 -2.6277 -2.6277 -2.6191 -2.6191 1.7616 1.7616 1.8008 1.8008 2.3429 2.3429 2.3916 2.3916 5.2505 5.2505 5.2540 5.2540 6.2000 6.2000 6.2321 6.2321 8.7197 8.7197 8.7594 8.7594 k = 0.2000 0.7455 0.4758 ( 2006 PWs) bands (ev): -3.8017 -3.8017 -3.7956 -3.7956 -2.6193 -2.6193 -2.6107 -2.6107 1.6740 1.6740 1.7116 1.7116 2.4429 2.4429 2.4931 2.4931 5.2383 5.2383 5.2421 5.2421 6.1817 6.1817 6.2228 6.2228 8.6628 8.6628 8.7070 8.7070 k = 0.1875 0.7498 0.4626 ( 2008 PWs) bands (ev): -3.8060 -3.8060 -3.8000 -3.8000 -2.6088 -2.6088 -2.6002 -2.6002 1.5892 1.5892 1.6250 1.6250 2.5440 2.5440 2.5954 2.5954 5.2236 5.2236 5.2274 5.2274 6.1590 6.1590 6.2078 6.2078 8.6140 8.6140 8.6613 8.6613 k = 0.1750 0.7541 0.4493 ( 2006 PWs) bands (ev): -3.8109 -3.8109 -3.8050 -3.8050 -2.5965 -2.5965 -2.5879 -2.5879 1.5076 1.5076 1.5414 1.5414 2.6454 2.6454 2.6978 2.6978 5.2068 5.2068 5.2103 5.2103 6.1312 6.1312 6.1862 6.1862 8.5759 8.5759 8.6249 8.6249 k = 0.1625 0.7584 0.4361 ( 2002 PWs) bands (ev): -3.8164 -3.8164 -3.8106 -3.8106 -2.5827 -2.5827 -2.5742 -2.5742 1.4295 1.4295 1.4614 1.4614 2.7469 2.7469 2.8001 2.8001 5.1885 5.1885 5.1913 5.1913 6.0982 6.0982 6.1578 6.1578 8.5496 8.5496 8.5993 8.5993 k = 0.1500 0.7627 0.4229 ( 2000 PWs) bands (ev): -3.8222 -3.8222 -3.8165 -3.8165 -2.5678 -2.5678 -2.5593 -2.5593 1.3553 1.3553 1.3851 1.3851 2.8478 2.8478 2.9016 2.9016 5.1690 5.1690 5.1708 5.1708 6.0601 6.0601 6.1224 6.1224 8.5356 8.5356 8.5849 8.5849 k = 0.1375 0.7669 0.4097 ( 1998 PWs) bands (ev): -3.8282 -3.8282 -3.8226 -3.8226 -2.5520 -2.5520 -2.5437 -2.5437 1.2853 1.2853 1.3131 1.3131 2.9478 2.9478 3.0018 3.0018 5.1482 5.1482 5.1498 5.1498 6.0171 6.0171 6.0804 6.0804 8.5335 8.5335 8.5814 8.5814 k = 0.1250 0.7712 0.3965 ( 2002 PWs) bands (ev): -3.8342 -3.8342 -3.8288 -3.8288 -2.5358 -2.5358 -2.5276 -2.5276 1.2199 1.2199 1.2456 1.2456 3.0461 3.0461 3.1000 3.1000 5.1262 5.1262 5.1290 5.1290 5.9700 5.9700 6.0327 6.0327 8.5425 8.5425 8.5882 8.5882 k = 0.1125 0.7755 0.3833 ( 2004 PWs) bands (ev): -3.8401 -3.8401 -3.8348 -3.8348 -2.5196 -2.5196 -2.5116 -2.5116 1.1595 1.1595 1.1829 1.1829 3.1422 3.1422 3.1954 3.1954 5.1037 5.1037 5.1084 5.1084 5.9200 5.9200 5.9806 5.9806 8.5612 8.5612 8.6039 8.6039 k = 0.1000 0.7798 0.3700 ( 2002 PWs) bands (ev): -3.8458 -3.8458 -3.8406 -3.8406 -2.5038 -2.5038 -2.4959 -2.4959 1.1043 1.1043 1.1256 1.1256 3.2352 3.2352 3.2871 3.2871 5.0811 5.0811 5.0878 5.0878 5.8685 5.8685 5.9255 5.9255 8.5879 8.5879 8.6270 8.6270 k = 0.0875 0.7841 0.3568 ( 2004 PWs) bands (ev): -3.8511 -3.8511 -3.8461 -3.8461 -2.4887 -2.4887 -2.4810 -2.4810 1.0548 1.0548 1.0738 1.0738 3.3241 3.3241 3.3740 3.3740 5.0588 5.0588 5.0676 5.0676 5.8171 5.8171 5.8694 5.8694 8.6203 8.6203 8.6554 8.6554 k = 0.0750 0.7884 0.3436 ( 2012 PWs) bands (ev): -3.8560 -3.8560 -3.8510 -3.8510 -2.4747 -2.4747 -2.4672 -2.4672 1.0112 1.0112 1.0279 1.0279 3.4077 3.4077 3.4545 3.4545 5.0373 5.0373 5.0477 5.0477 5.7678 5.7678 5.8142 5.8142 8.6564 8.6564 8.6870 8.6870 k = 0.0625 0.7927 0.3304 ( 2014 PWs) bands (ev): -3.8602 -3.8602 -3.8554 -3.8554 -2.4621 -2.4621 -2.4548 -2.4548 0.9740 0.9740 0.9884 0.9884 3.4845 3.4845 3.5271 3.5271 5.0171 5.0171 5.0286 5.0286 5.7223 5.7223 5.7620 5.7620 8.6935 8.6935 8.7195 8.7195 k = 0.0500 0.7970 0.3172 ( 2014 PWs) bands (ev): -3.8638 -3.8638 -3.8590 -3.8590 -2.4514 -2.4514 -2.4442 -2.4442 0.9432 0.9432 0.9553 0.9553 3.5528 3.5528 3.5898 3.5898 4.9989 4.9989 5.0106 5.0106 5.6827 5.6827 5.7150 5.7150 8.7292 8.7292 8.7502 8.7502 k = 0.0375 0.8013 0.3040 ( 2008 PWs) bands (ev): -3.8667 -3.8667 -3.8619 -3.8619 -2.4427 -2.4427 -2.4357 -2.4357 0.9192 0.9192 0.9292 0.9292 3.6106 3.6106 3.6404 3.6404 4.9837 4.9837 4.9944 4.9944 5.6507 5.6507 5.6752 5.6752 8.7609 8.7609 8.7769 8.7769 k = 0.0250 0.8056 0.2907 ( 2010 PWs) bands (ev): -3.8688 -3.8688 -3.8641 -3.8641 -2.4363 -2.4363 -2.4295 -2.4295 0.9021 0.9021 0.9102 0.9102 3.6558 3.6558 3.6767 3.6767 4.9726 4.9726 4.9808 4.9808 5.6278 5.6278 5.6442 5.6442 8.7862 8.7862 8.7971 8.7971 k = 0.0125 0.8098 0.2775 ( 2006 PWs) bands (ev): -3.8700 -3.8700 -3.8654 -3.8654 -2.4324 -2.4324 -2.4257 -2.4257 0.8919 0.8919 0.8985 0.8985 3.6862 3.6862 3.6971 3.6971 4.9664 4.9664 4.9710 4.9710 5.6152 5.6152 5.6235 5.6235 8.8034 8.8034 8.8090 8.8090 k = 0.0000 0.8141 0.2643 ( 2010 PWs) bands (ev): -3.8704 -3.8704 -3.8658 -3.8658 -2.4311 -2.4311 -2.4244 -2.4244 0.8885 0.8885 0.8946 0.8946 3.6996 3.6996 3.7009 3.7009 4.9657 4.9657 4.9662 4.9662 5.6132 5.6132 5.6142 5.6142 8.8105 8.8105 8.8119 8.8119 k = 0.0000 0.8141 0.2643 ( 2010 PWs) bands (ev): -3.8704 -3.8704 -3.8658 -3.8658 -2.4311 -2.4311 -2.4244 -2.4244 0.8885 0.8885 0.8946 0.8946 3.6996 3.6996 3.7009 3.7009 4.9657 4.9657 4.9662 4.9662 5.6132 5.6132 5.6142 5.6142 8.8105 8.8105 8.8119 8.8119 k =-0.0140 0.8102 0.2763 ( 2007 PWs) bands (ev): -3.8834 -3.8834 -3.8507 -3.8507 -2.4553 -2.4553 -2.4066 -2.4066 0.8328 0.8328 0.9599 0.9599 3.6259 3.6259 3.7768 3.7768 4.8697 4.8697 5.0523 5.0523 5.5934 5.5934 5.6461 5.6461 8.7692 8.7692 8.8524 8.8524 k =-0.0281 0.8063 0.2883 ( 2016 PWs) bands (ev): -3.8965 -3.8965 -3.8315 -3.8315 -2.4881 -2.4881 -2.3930 -2.3930 0.7846 0.7846 1.0367 1.0367 3.5537 3.5537 3.8550 3.8550 4.7683 4.7683 5.1223 5.1223 5.5893 5.5893 5.6884 5.6884 8.7258 8.7258 8.8937 8.8937 k =-0.0421 0.8024 0.3004 ( 2020 PWs) bands (ev): -3.9075 -3.9075 -3.8101 -3.8101 -2.5257 -2.5257 -2.3874 -2.3874 0.7475 0.7475 1.1211 1.1211 3.4840 3.4840 3.9348 3.9348 4.6645 4.6645 5.1692 5.1692 5.6051 5.6051 5.7407 5.7407 8.6798 8.6798 8.9354 8.9354 k =-0.0562 0.7985 0.3124 ( 2019 PWs) bands (ev): -3.9166 -3.9166 -3.7865 -3.7865 -2.5672 -2.5672 -2.3903 -2.3903 0.7222 0.7222 1.2123 1.2123 3.4168 3.4168 4.0155 4.0155 4.5605 4.5605 5.1918 5.1918 5.6389 5.6389 5.8043 5.8043 8.6298 8.6298 8.9778 8.9778 k =-0.0702 0.7946 0.3244 ( 2021 PWs) bands (ev): -3.9237 -3.9237 -3.7608 -3.7608 -2.6118 -2.6118 -2.4020 -2.4020 0.7091 0.7091 1.3092 1.3092 3.3525 3.3525 4.0963 4.0963 4.4581 4.4581 5.1954 5.1954 5.6829 5.6829 5.8802 5.8802 8.5740 8.5740 9.0211 9.0211 k =-0.0842 0.7907 0.3364 ( 2023 PWs) bands (ev): -3.9290 -3.9290 -3.7329 -3.7329 -2.6588 -2.6588 -2.4229 -2.4229 0.7083 0.7083 1.4110 1.4110 3.2912 3.2912 4.1735 4.1735 4.3610 4.3610 5.1882 5.1882 5.7294 5.7294 5.9674 5.9674 8.5104 8.5104 9.0654 9.0654 k =-0.0983 0.7868 0.3484 ( 2023 PWs) bands (ev): -3.9325 -3.9325 -3.7028 -3.7028 -2.7076 -2.7076 -2.4527 -2.4527 0.7197 0.7197 1.5169 1.5169 3.2330 3.2330 4.2111 4.2111 4.3056 4.3056 5.1762 5.1762 5.7746 5.7746 6.0627 6.0627 8.4369 8.4369 9.1107 9.1107 k =-0.1123 0.7829 0.3604 ( 2024 PWs) bands (ev): -3.9341 -3.9341 -3.6705 -3.6705 -2.7576 -2.7576 -2.4911 -2.4911 0.7428 0.7428 1.6260 1.6260 3.1781 3.1781 4.1390 4.1390 4.3615 4.3615 5.1639 5.1639 5.8174 5.8174 6.1627 6.1627 8.3517 8.3517 9.1569 9.1569 k =-0.1264 0.7790 0.3724 ( 2022 PWs) bands (ev): -3.9341 -3.9341 -3.6361 -3.6361 -2.8083 -2.8083 -2.5375 -2.5375 0.7771 0.7771 1.7376 1.7376 3.1268 3.1268 4.0474 4.0474 4.4377 4.4377 5.1544 5.1544 5.8576 5.8576 6.2646 6.2646 8.2531 8.2531 9.2038 9.2038 k =-0.1404 0.7751 0.3845 ( 2020 PWs) bands (ev): -3.9326 -3.9326 -3.5995 -3.5995 -2.8593 -2.8593 -2.5913 -2.5913 0.8217 0.8217 1.8507 1.8507 3.0793 3.0793 3.9562 3.9562 4.5134 4.5134 5.1505 5.1505 5.8951 5.8951 6.3659 6.3659 8.1407 8.1407 9.2513 9.2513 k =-0.1545 0.7712 0.3965 ( 2018 PWs) bands (ev): -3.9296 -3.9296 -3.5607 -3.5607 -2.9102 -2.9102 -2.6515 -2.6515 0.8756 0.8756 1.9647 1.9647 3.0359 3.0359 3.8674 3.8674 4.5846 4.5846 5.1548 5.1548 5.9299 5.9299 6.4651 6.4651 8.0147 8.0147 9.2990 9.2990 k =-0.1685 0.7673 0.4085 ( 2014 PWs) bands (ev): -3.9254 -3.9254 -3.5198 -3.5198 -2.9607 -2.9607 -2.7172 -2.7172 0.9377 0.9377 2.0786 2.0786 2.9971 2.9971 3.7820 3.7820 4.6487 4.6487 5.1701 5.1701 5.9618 5.9618 6.5609 6.5609 7.8762 7.8762 9.3462 9.3462 k =-0.1825 0.7634 0.4205 ( 2014 PWs) bands (ev): -3.9201 -3.9201 -3.4767 -3.4767 -3.0104 -3.0104 -2.7875 -2.7875 1.0068 1.0068 2.1915 2.1915 2.9632 2.9632 3.7002 3.7002 4.7040 4.7040 5.1984 5.1984 5.9906 5.9906 6.6521 6.6521 7.7271 7.7271 9.3924 9.3924 k =-0.1966 0.7595 0.4325 ( 2017 PWs) bands (ev): -3.9140 -3.9140 -3.4317 -3.4317 -3.0590 -3.0590 -2.8613 -2.8613 1.0817 1.0817 2.3023 2.3023 2.9349 2.9349 3.6223 3.6223 4.7501 4.7501 5.2402 5.2402 6.0162 6.0162 6.7378 6.7378 7.5693 7.5693 9.4364 9.4364 k =-0.2106 0.7556 0.4445 ( 2017 PWs) bands (ev): -3.9077 -3.9077 -3.3846 -3.3846 -3.1063 -3.1063 -2.9375 -2.9375 1.1609 1.1609 2.4101 2.4101 2.9127 2.9127 3.5488 3.5488 4.7887 4.7887 5.2936 5.2936 6.0387 6.0387 6.8175 6.8175 7.4050 7.4050 9.4765 9.4765 k =-0.2247 0.7517 0.4565 ( 2019 PWs) bands (ev): -3.9015 -3.9015 -3.3361 -3.3361 -3.1517 -3.1517 -3.0148 -3.0148 1.2429 1.2429 2.5133 2.5133 2.8977 2.8977 3.4800 3.4800 4.8230 4.8230 5.3551 5.3551 6.0582 6.0582 6.8903 6.8903 7.2363 7.2363 9.5103 9.5103 k =-0.2387 0.7478 0.4686 ( 2023 PWs) bands (ev): -3.8964 -3.8964 -3.2881 -3.2881 -3.1930 -3.1930 -3.0919 -3.0919 1.3261 1.3261 2.6104 2.6104 2.8910 2.8910 3.4165 3.4165 4.8565 4.8565 5.4199 5.4199 6.0755 6.0755 6.9540 6.9540 7.0674 7.0674 9.5344 9.5344 k =-0.2527 0.7439 0.4806 ( 2025 PWs) bands (ev): -3.8936 -3.8936 -3.2623 -3.2623 -3.2087 -3.2087 -3.1668 -3.1668 1.4088 1.4088 2.6996 2.6996 2.8938 2.8938 3.3591 3.3591 4.8924 4.8924 5.4824 5.4824 6.0924 6.0924 6.8869 6.8869 7.0221 7.0221 9.5452 9.5452 k =-0.2668 0.7400 0.4926 ( 2021 PWs) bands (ev): -3.8946 -3.8946 -3.2916 -3.2916 -3.2382 -3.2382 -3.1649 -3.1649 1.4889 1.4889 2.7786 2.7786 2.9073 2.9073 3.3092 3.3092 4.9331 4.9331 5.5361 5.5361 6.1117 6.1117 6.7189 6.7189 7.0730 7.0730 9.5405 9.5405 k =-0.2808 0.7361 0.5046 ( 2018 PWs) bands (ev): -3.9020 -3.9020 -3.3303 -3.3303 -3.3013 -3.3013 -3.1093 -3.1093 1.5646 1.5646 2.8463 2.8463 2.9306 2.9306 3.2695 3.2695 4.9803 4.9803 5.5730 5.5730 6.1371 6.1371 6.5546 6.5546 7.1192 7.1192 9.5215 9.5215 k =-0.2949 0.7322 0.5166 ( 2022 PWs) bands (ev): -3.9185 -3.9185 -3.3705 -3.3705 -3.3525 -3.3525 -3.0502 -3.0502 1.6341 1.6341 2.9055 2.9055 2.9570 2.9570 3.2448 3.2448 5.0343 5.0343 5.5851 5.5851 6.1701 6.1701 6.4025 6.4025 7.1596 7.1596 9.4923 9.4923 k =-0.3089 0.7283 0.5286 ( 2018 PWs) bands (ev): -3.9468 -3.9468 -3.4085 -3.4085 -3.3913 -3.3913 -2.9886 -2.9886 1.6959 1.6959 2.9630 2.9630 2.9740 2.9740 3.2412 3.2412 5.0942 5.0942 5.5671 5.5671 6.1834 6.1834 6.2968 6.2968 7.1943 7.1943 9.4578 9.4578 k =-0.3089 0.7283 0.5286 ( 2018 PWs) bands (ev): -3.9468 -3.9468 -3.4085 -3.4085 -3.3913 -3.3913 -2.9886 -2.9886 1.6959 1.6959 2.9630 2.9630 2.9740 2.9740 3.2412 3.2412 5.0942 5.0942 5.5671 5.5671 6.1834 6.1834 6.2968 6.2968 7.1943 7.1943 9.4578 9.4578 k =-0.3151 0.7104 0.5286 ( 2018 PWs) bands (ev): -4.0264 -4.0264 -3.4871 -3.4871 -3.4692 -3.4692 -2.8432 -2.8432 1.8307 1.8307 2.9521 2.9521 3.1008 3.1008 3.3061 3.3061 5.2280 5.2280 5.4987 5.4987 6.0982 6.0982 6.2068 6.2068 7.2663 7.2663 9.3762 9.3762 k =-0.3212 0.6924 0.5286 ( 2022 PWs) bands (ev): -4.1044 -4.1044 -3.5638 -3.5638 -3.5454 -3.5454 -2.6956 -2.6956 1.9694 1.9694 2.8855 2.8855 3.2420 3.2420 3.4224 3.4224 5.3058 5.3058 5.4839 5.4839 6.0147 6.0147 6.1252 6.1252 7.3350 7.3350 9.2961 9.2961 k =-0.3274 0.6745 0.5286 ( 2018 PWs) bands (ev): -4.1807 -4.1807 -3.6387 -3.6387 -3.6198 -3.6198 -2.5460 -2.5460 2.1120 2.1120 2.8074 2.8074 3.3870 3.3870 3.5569 3.5569 5.2728 5.2728 5.5684 5.5684 5.9330 5.9330 6.0609 6.0609 7.4001 7.4001 9.2175 9.2175 k =-0.3336 0.6565 0.5286 ( 2018 PWs) bands (ev): -4.2551 -4.2551 -3.7116 -3.7116 -3.6921 -3.6921 -2.3943 -2.3943 2.2582 2.2582 2.7270 2.7270 3.5355 3.5355 3.7001 3.7001 5.2047 5.2047 5.6518 5.6518 5.8533 5.8533 6.0387 6.0387 7.4613 7.4613 9.1407 9.1407 k =-0.3397 0.6385 0.5286 ( 2018 PWs) bands (ev): -4.3275 -4.3275 -3.7824 -3.7824 -3.7624 -3.7624 -2.2406 -2.2406 2.4078 2.4078 2.6473 2.6473 3.6873 3.6873 3.8489 3.8489 5.1309 5.1309 5.6687 5.6687 5.7759 5.7759 6.0943 6.0943 7.5183 7.5183 9.0656 9.0656 k =-0.3459 0.6206 0.5286 ( 2018 PWs) bands (ev): -4.3977 -4.3977 -3.8509 -3.8509 -3.8305 -3.8305 -2.0852 -2.0852 2.5606 2.5606 2.5693 2.5693 3.8423 3.8423 4.0021 4.0021 5.0564 5.0564 5.6272 5.6272 5.7007 5.7007 6.2148 6.2148 7.5711 7.5711 8.9921 8.9921 k =-0.3521 0.6026 0.5286 ( 2014 PWs) bands (ev): -4.4657 -4.4657 -3.9173 -3.9173 -3.8964 -3.8964 -1.9281 -1.9281 2.4937 2.4937 2.7164 2.7164 4.0003 4.0003 4.1588 4.1588 4.9828 4.9828 5.5617 5.5617 5.6281 5.6281 6.3643 6.3643 7.6195 7.6195 8.9204 8.9204 k =-0.3582 0.5847 0.5286 ( 2014 PWs) bands (ev): -4.5313 -4.5313 -3.9812 -3.9812 -3.9600 -3.9600 -1.7694 -1.7694 2.4206 2.4206 2.8750 2.8750 4.1612 4.1612 4.3181 4.3181 4.9109 4.9109 5.4878 5.4878 5.5580 5.5580 6.5265 6.5265 7.6636 7.6636 8.8503 8.8503 k =-0.3644 0.5667 0.5286 ( 1998 PWs) bands (ev): -4.5946 -4.5946 -4.0428 -4.0428 -4.0212 -4.0212 -1.6093 -1.6093 2.3503 2.3503 3.0362 3.0362 4.3247 4.3247 4.4780 4.4780 4.8426 4.8426 5.4112 5.4112 5.4907 5.4907 6.6954 6.6954 7.7033 7.7033 8.7818 8.7818 k =-0.3706 0.5487 0.5286 ( 2006 PWs) bands (ev): -4.6554 -4.6554 -4.1019 -4.1019 -4.0799 -4.0799 -1.4480 -1.4480 2.2828 2.2828 3.1998 3.1998 4.4904 4.4904 4.6258 4.6258 4.7901 4.7901 5.3342 5.3342 5.4264 5.4264 6.8684 6.8684 7.7388 7.7388 8.7148 8.7148 k =-0.3767 0.5308 0.5286 ( 2010 PWs) bands (ev): -4.7136 -4.7136 -4.1585 -4.1585 -4.1362 -4.1362 -1.2857 -1.2857 2.2183 2.2183 3.3655 3.3655 4.6579 4.6579 4.6618 4.6618 4.8530 4.8530 5.2581 5.2581 5.3654 5.3654 7.0442 7.0442 7.7701 7.7701 8.6493 8.6493 k =-0.3829 0.5128 0.5286 ( 2002 PWs) bands (ev): -4.7693 -4.7693 -4.2126 -4.2126 -4.1900 -4.1900 -1.1225 -1.1225 2.1567 2.1567 3.5332 3.5332 4.6055 4.6055 4.8264 4.8264 5.0098 5.0098 5.1848 5.1848 5.3089 5.3089 7.2221 7.2221 7.7974 7.7974 8.5850 8.5850 k =-0.3890 0.4949 0.5286 ( 1994 PWs) bands (ev): -4.8223 -4.8223 -4.2641 -4.2641 -4.2412 -4.2412 -0.9587 -0.9587 2.0981 2.0981 3.7026 3.7026 4.5388 4.5388 4.9914 4.9914 5.1011 5.1011 5.1919 5.1919 5.2607 5.2607 7.4012 7.4012 7.8210 7.8210 8.5219 8.5219 k =-0.3952 0.4769 0.5286 ( 1994 PWs) bands (ev): -4.8726 -4.8726 -4.3129 -4.3129 -4.2897 -4.2897 -0.7945 -0.7945 2.0427 2.0427 3.8733 3.8733 4.4699 4.4699 5.0346 5.0346 5.1188 5.1188 5.2549 5.2549 5.3633 5.3633 7.5809 7.5809 7.8411 7.8411 8.4600 8.4600 k =-0.4014 0.4590 0.5286 ( 2002 PWs) bands (ev): -4.9203 -4.9203 -4.3591 -4.3591 -4.3357 -4.3357 -0.6304 -0.6304 1.9902 1.9902 4.0451 4.0451 4.3998 4.3998 4.9665 4.9665 5.1185 5.1185 5.3815 5.3815 5.5420 5.5420 7.7604 7.7604 7.8579 7.8579 8.3989 8.3989 k =-0.4075 0.4410 0.5286 ( 2002 PWs) bands (ev): -4.9651 -4.9651 -4.4026 -4.4026 -4.3790 -4.3790 -0.4665 -0.4665 1.9409 1.9409 4.2174 4.2174 4.3284 4.3284 4.9008 4.9008 5.0798 5.0798 5.5511 5.5511 5.7235 5.7235 7.8717 7.8717 7.9387 7.9387 8.3387 8.3387 k =-0.4137 0.4230 0.5286 ( 2002 PWs) bands (ev): -5.0072 -5.0072 -4.4434 -4.4434 -4.4196 -4.4196 -0.3034 -0.3034 1.8947 1.8947 4.2555 4.2555 4.3898 4.3898 4.8382 4.8382 5.0389 5.0389 5.7274 5.7274 5.9071 5.9071 7.8826 7.8826 8.1147 8.1147 8.2793 8.2793 k =-0.4199 0.4051 0.5286 ( 1994 PWs) bands (ev): -5.0465 -5.0465 -4.4815 -4.4815 -4.4575 -4.4575 -0.1416 -0.1416 1.8517 1.8517 4.1810 4.1810 4.5610 4.5610 4.7793 4.7793 5.0006 5.0006 5.9059 5.9059 6.0925 6.0925 7.8906 7.8906 8.2207 8.2207 8.2866 8.2866 k =-0.4260 0.3871 0.5286 ( 1986 PWs) bands (ev): -5.0830 -5.0830 -4.5168 -4.5168 -4.4926 -4.4926 0.0185 0.0185 1.8118 1.8118 4.1046 4.1046 4.7243 4.7243 4.7274 4.7274 4.9690 4.9690 6.0850 6.0850 6.2792 6.2792 7.8956 7.8956 8.1634 8.1634 8.4518 8.4518 k =-0.4322 0.3692 0.5286 ( 1986 PWs) bands (ev): -5.1166 -5.1166 -4.5494 -4.5494 -4.5250 -4.5250 0.1760 0.1760 1.7750 1.7750 4.0262 4.0262 4.6735 4.6735 4.8592 4.8592 4.9738 4.9738 6.2637 6.2637 6.4670 6.4670 7.8969 7.8969 8.1085 8.1085 8.6067 8.6067 k =-0.4384 0.3512 0.5286 ( 2010 PWs) bands (ev): -5.1474 -5.1474 -4.5792 -4.5792 -4.5547 -4.5547 0.3303 0.3303 1.7414 1.7414 3.9461 3.9461 4.6272 4.6272 4.8708 4.8708 5.1000 5.1000 6.4408 6.4408 6.6555 6.6555 7.8926 7.8926 8.0584 8.0584 8.7456 8.7456 k =-0.4445 0.3332 0.5286 ( 2010 PWs) bands (ev): -5.1752 -5.1752 -4.6062 -4.6062 -4.5815 -4.5815 0.4802 0.4802 1.7110 1.7110 3.8647 3.8647 4.5854 4.5854 4.8483 4.8483 5.2610 5.2610 6.6145 6.6145 6.8443 6.8443 7.8787 7.8787 8.0183 8.0183 8.8610 8.8610 k =-0.4507 0.3153 0.5286 ( 2002 PWs) bands (ev): -5.2002 -5.2002 -4.6304 -4.6304 -4.6056 -4.6056 0.6246 0.6246 1.6838 1.6838 3.7827 3.7827 4.5482 4.5482 4.8241 4.8241 5.4231 5.4231 6.7823 6.7823 7.0330 7.0330 7.8519 7.8519 7.9938 7.9938 8.9446 8.9446 k =-0.4569 0.2973 0.5286 ( 2002 PWs) bands (ev): -5.2223 -5.2223 -4.6517 -4.6517 -4.6268 -4.6268 0.7619 0.7619 1.6598 1.6598 3.7013 3.7013 4.5156 4.5156 4.8017 4.8017 5.5818 5.5818 6.9393 6.9393 7.2209 7.2209 7.8170 7.8170 7.9845 7.9845 8.9913 8.9913 k =-0.4630 0.2794 0.5286 ( 1998 PWs) bands (ev): -5.2414 -5.2414 -4.6702 -4.6702 -4.6453 -4.6453 0.8903 0.8903 1.6389 1.6389 3.6219 3.6219 4.4876 4.4876 4.7819 4.7819 5.7348 5.7348 7.0769 7.0769 7.4073 7.4073 7.7862 7.7862 7.9866 7.9866 9.0046 9.0046 k =-0.4692 0.2614 0.5286 ( 2002 PWs) bands (ev): -5.2576 -5.2576 -4.6859 -4.6859 -4.6609 -4.6609 1.0073 1.0073 1.6213 1.6213 3.5467 3.5467 4.4640 4.4640 4.7650 4.7650 5.8794 5.8794 7.1808 7.1808 7.5913 7.5913 7.7742 7.7742 8.0003 8.0003 8.9943 8.9943 k =-0.4753 0.2435 0.5286 ( 2002 PWs) bands (ev): -5.2709 -5.2709 -4.6988 -4.6988 -4.6737 -4.6737 1.1103 1.1103 1.6068 1.6068 3.4783 3.4783 4.4449 4.4449 4.7511 4.7511 6.0126 6.0126 7.2358 7.2358 7.7711 7.7711 7.7904 7.7904 8.0326 8.0326 8.9705 8.9705 k =-0.4815 0.2255 0.5286 ( 2002 PWs) bands (ev): -5.2812 -5.2812 -4.7088 -4.7088 -4.6836 -4.6836 1.1958 1.1958 1.5956 1.5956 3.4198 3.4198 4.4300 4.4300 4.7402 4.7402 6.1298 6.1298 7.2435 7.2435 7.8224 7.8224 7.9443 7.9443 8.0966 8.0966 8.9095 8.9095 k =-0.4877 0.2075 0.5286 ( 2014 PWs) bands (ev): -5.2886 -5.2886 -4.7159 -4.7159 -4.6907 -4.6907 1.2605 1.2605 1.5876 1.5876 3.3745 3.3745 4.4195 4.4195 4.7324 4.7324 6.2242 6.2242 7.2248 7.2248 7.8481 7.8481 8.1048 8.1048 8.1981 8.1981 8.7648 8.7648 k =-0.4938 0.1896 0.5286 ( 2014 PWs) bands (ev): -5.2930 -5.2930 -4.7202 -4.7202 -4.6950 -4.6950 1.3009 1.3009 1.5828 1.5828 3.3457 3.3457 4.4132 4.4132 4.7277 4.7277 6.2871 6.2871 7.2026 7.2026 7.8616 7.8616 8.2364 8.2364 8.3260 8.3260 8.6178 8.6178 k =-0.5000 0.1716 0.5286 ( 2006 PWs) bands (ev): -5.2945 -5.2945 -4.7216 -4.7216 -4.6964 -4.6964 1.3147 1.3147 1.5812 1.5812 3.3359 3.3359 4.4111 4.4111 4.7261 4.7261 6.3094 6.3094 7.1932 7.1932 7.8655 7.8655 8.2946 8.2946 8.4504 8.4504 8.4883 8.4883 k = 0.0000 0.0000 0.5286 ( 2010 PWs) bands (ev): -6.1882 -6.1882 -4.7766 -4.7766 -1.8390 -1.8390 -1.4806 -1.4806 2.7450 2.7450 3.4821 3.4821 3.7497 3.7497 4.1510 4.1510 5.4678 5.4678 6.2344 6.2344 6.7830 6.7830 8.1233 8.1233 8.5406 8.5406 9.3353 9.3353 k = 0.0061 0.0178 0.5286 ( 2004 PWs) bands (ev): -6.1867 -6.1867 -4.7752 -4.7752 -1.8383 -1.8383 -1.4801 -1.4801 2.7464 2.7464 3.4687 3.4687 3.7085 3.7085 4.2041 4.2041 5.4376 5.4376 6.2338 6.2338 6.8132 6.8132 8.1116 8.1116 8.5272 8.5272 9.3341 9.3341 k = 0.0122 0.0355 0.5286 ( 2000 PWs) bands (ev): -6.1823 -6.1823 -4.7710 -4.7710 -1.8361 -1.8361 -1.4788 -1.4788 2.7507 2.7507 3.4141 3.4141 3.6430 3.6430 4.3196 4.3196 5.3552 5.3552 6.2308 6.2308 6.8971 6.8971 8.0767 8.0767 8.4877 8.4877 9.3331 9.3331 k = 0.0183 0.0533 0.5286 ( 2008 PWs) bands (ev): -6.1749 -6.1749 -4.7640 -4.7640 -1.8324 -1.8324 -1.4767 -1.4767 2.7578 2.7578 3.3044 3.3044 3.6104 3.6104 4.4523 4.4523 5.2389 5.2389 6.2234 6.2234 7.0196 7.0196 8.0190 8.0190 8.4255 8.4255 9.3381 9.3381 k = 0.0244 0.0711 0.5286 ( 2008 PWs) bands (ev): -6.1646 -6.1646 -4.7541 -4.7541 -1.8274 -1.8274 -1.4739 -1.4739 2.7673 2.7673 3.1625 3.1625 3.6035 3.6035 4.5806 4.5806 5.1094 5.1094 6.2107 6.2107 7.1666 7.1666 7.9396 7.9396 8.3456 8.3456 9.3546 9.3546 k = 0.0305 0.0888 0.5286 ( 2008 PWs) bands (ev): -6.1513 -6.1513 -4.7415 -4.7415 -1.8210 -1.8210 -1.4705 -1.4705 2.7782 2.7782 3.0092 3.0092 3.6080 3.6080 4.6719 4.6719 5.0033 5.0033 6.1918 6.1918 7.3276 7.3276 7.8403 7.8403 8.2545 8.2545 9.3859 9.3859 k = 0.0366 0.1066 0.5286 ( 2008 PWs) bands (ev): -6.1351 -6.1351 -4.7261 -4.7261 -1.8133 -1.8133 -1.4668 -1.4668 2.7790 2.7790 2.8642 2.8642 3.6184 3.6184 4.6441 4.6441 5.0061 5.0061 6.1661 6.1661 7.4955 7.4955 7.7239 7.7239 8.1587 8.1587 9.4331 9.4331 k = 0.0427 0.1243 0.5286 ( 2018 PWs) bands (ev): -6.1159 -6.1159 -4.7079 -4.7079 -1.8044 -1.8044 -1.4629 -1.4629 2.6711 2.6711 2.8295 2.8295 3.6324 3.6324 4.5146 4.5146 5.1028 5.1028 6.1329 6.1329 7.5886 7.5886 7.6699 7.6699 8.0644 8.0644 9.4230 9.4230 k = 0.0488 0.1421 0.5286 ( 2006 PWs) bands (ev): -6.0938 -6.0938 -4.6869 -4.6869 -1.7944 -1.7944 -1.4592 -1.4592 2.5148 2.5148 2.8467 2.8467 3.6486 3.6486 4.3576 4.3576 5.2205 5.2205 6.0915 6.0915 7.4483 7.4483 7.8327 7.8327 7.9797 7.9797 9.3591 9.3591 k = 0.0549 0.1599 0.5286 ( 2006 PWs) bands (ev): -6.0688 -6.0688 -4.6631 -4.6631 -1.7834 -1.7834 -1.4560 -1.4560 2.3571 2.3571 2.8702 2.8702 3.6649 3.6649 4.1958 4.1958 5.3383 5.3383 6.0412 6.0412 7.2984 7.2984 7.8779 7.8779 8.0189 8.0189 9.2878 9.2879 k = 0.0610 0.1776 0.5286 ( 2002 PWs) bands (ev): -6.0408 -6.0408 -4.6365 -4.6365 -1.7715 -1.7715 -1.4538 -1.4538 2.2018 2.2018 2.8972 2.8972 3.6766 3.6766 4.0397 4.0397 5.4488 5.4488 5.9826 5.9826 7.1447 7.1447 7.8117 7.8117 8.1729 8.1729 9.2102 9.2102 k = 0.0671 0.1954 0.5286 ( 2006 PWs) bands (ev): -6.0099 -6.0099 -4.6072 -4.6072 -1.7591 -1.7591 -1.4531 -1.4531 2.0506 2.0506 2.9269 2.9269 3.6665 3.6665 3.9091 3.9091 5.5453 5.5453 5.9180 5.9180 6.9915 6.9915 7.7522 7.7522 8.3209 8.3209 9.1276 9.1276 k = 0.0732 0.2132 0.5286 ( 2006 PWs) bands (ev): -5.9761 -5.9761 -4.5752 -4.5752 -1.7461 -1.7461 -1.4544 -1.4544 1.9044 1.9044 2.9587 2.9587 3.5934 3.5934 3.8466 3.8466 5.6146 5.6146 5.8568 5.8568 6.8445 6.8445 7.7043 7.7043 8.4531 8.4531 9.0428 9.0428 k = 0.0793 0.2309 0.5286 ( 2006 PWs) bands (ev): -5.9394 -5.9394 -4.5404 -4.5404 -1.7329 -1.7329 -1.4586 -1.4586 1.7645 1.7645 2.9912 2.9912 3.4652 3.4652 3.8464 3.8464 5.6246 5.6246 5.8243 5.8243 6.7122 6.7122 7.6684 7.6684 8.5588 8.5588 8.9631 8.9631 k = 0.0854 0.2487 0.5286 ( 2006 PWs) bands (ev): -5.8997 -5.8997 -4.5030 -4.5030 -1.7197 -1.7197 -1.4662 -1.4662 1.6319 1.6319 3.0202 3.0202 3.3265 3.3265 3.8684 3.8684 5.5642 5.5642 5.8207 5.8207 6.6079 6.6079 7.6443 7.6443 8.6146 8.6146 8.9079 8.9079 k = 0.0915 0.2665 0.5286 ( 2006 PWs) bands (ev): -5.8571 -5.8571 -4.4628 -4.4628 -1.7068 -1.7068 -1.4783 -1.4783 1.5076 1.5076 3.0256 3.0256 3.2122 3.2122 3.8980 3.8980 5.4706 5.4706 5.7952 5.7952 6.5481 6.5481 7.6311 7.6311 8.5919 8.5919 8.9017 8.9017 k = 0.0976 0.2842 0.5286 ( 2006 PWs) bands (ev): -5.8117 -5.8117 -4.4200 -4.4200 -1.6946 -1.6946 -1.4957 -1.4957 1.3929 1.3929 2.9525 2.9525 3.1816 3.1816 3.9306 3.9306 5.3644 5.3644 5.7233 5.7233 6.5396 6.5396 7.6278 7.6278 8.5112 8.5112 8.9204 8.9204 k = 0.1037 0.3020 0.5286 ( 2002 PWs) bands (ev): -5.7633 -5.7633 -4.3745 -4.3745 -1.6834 -1.6834 -1.5192 -1.5192 1.2889 1.2889 2.8274 2.8274 3.2097 3.2097 3.9638 3.9638 5.2530 5.2530 5.6114 5.6114 6.5720 6.5720 7.6334 7.6334 8.4064 8.4064 8.9283 8.9283 k = 0.1098 0.3198 0.5286 ( 2004 PWs) bands (ev): -5.7121 -5.7121 -4.3264 -4.3264 -1.6736 -1.6736 -1.5499 -1.5499 1.1964 1.1964 2.6944 2.6944 3.2538 3.2538 3.9953 3.9953 5.1412 5.1412 5.4748 5.4748 6.6292 6.6292 7.6464 7.6464 8.2912 8.2912 8.9125 8.9125 k = 0.1159 0.3375 0.5286 ( 2004 PWs) bands (ev): -5.6580 -5.6580 -4.2757 -4.2757 -1.6659 -1.6659 -1.5882 -1.5882 1.1166 1.1166 2.5638 2.5638 3.3043 3.3043 4.0222 4.0222 5.0333 5.0333 5.3248 5.3248 6.6999 6.6999 7.6655 7.6655 8.1711 8.1711 8.8717 8.8717 k = 0.1220 0.3553 0.5286 ( 2004 PWs) bands (ev): -5.6011 -5.6011 -4.2224 -4.2224 -1.6616 -1.6616 -1.6339 -1.6339 1.0500 1.0500 2.4386 2.4386 3.3585 3.3585 4.0404 4.0404 4.9341 4.9341 5.1688 5.1688 6.7777 6.7777 7.6881 7.6881 8.0499 8.0499 8.8088 8.8088 k = 0.1280 0.3730 0.5286 ( 2008 PWs) bands (ev): -5.5413 -5.5413 -4.1667 -4.1667 -1.6931 -1.6931 -1.6553 -1.6553 0.9970 0.9970 2.3203 2.3203 3.4154 3.4154 4.0441 4.0441 4.8488 4.8488 5.0123 5.0123 6.8591 6.8591 7.7076 7.7076 7.9350 7.9350 8.7282 8.7282 k = 0.1341 0.3908 0.5286 ( 2010 PWs) bands (ev): -5.4786 -5.4786 -4.1084 -4.1084 -1.7568 -1.7568 -1.6569 -1.6569 0.9580 0.9580 2.2100 2.2100 3.4740 3.4740 4.0271 4.0271 4.7732 4.7732 4.8691 4.8691 6.9422 6.9422 7.6944 7.6944 7.8563 7.8563 8.6343 8.6343 k = 0.1402 0.4086 0.5286 ( 2018 PWs) bands (ev): -5.4132 -5.4132 -4.0477 -4.0477 -1.8297 -1.8297 -1.6617 -1.6617 0.9326 0.9326 2.1085 2.1085 3.5327 3.5327 3.9862 3.9862 4.6579 4.6579 4.7952 4.7952 7.0250 7.0250 7.6097 7.6097 7.8535 7.8535 8.5312 8.5312 k = 0.1463 0.4263 0.5286 ( 2018 PWs) bands (ev): -5.3449 -5.3449 -3.9846 -3.9846 -1.9109 -1.9109 -1.6709 -1.6709 0.9204 0.9204 2.0165 2.0165 3.5875 3.5875 3.9250 3.9250 4.5084 4.5084 4.7866 4.7866 7.1037 7.1037 7.4967 7.4967 7.8856 7.8856 8.4225 8.4225 k = 0.1524 0.4441 0.5286 ( 2018 PWs) bands (ev): -5.2739 -5.2739 -3.9192 -3.9192 -1.9994 -1.9994 -1.6850 -1.6850 0.9209 0.9209 1.9346 1.9346 3.6269 3.6269 3.8589 3.8589 4.3572 4.3572 4.8083 4.8083 7.1630 7.1630 7.3956 7.3956 7.9246 7.9246 8.3136 8.3136 k = 0.1585 0.4619 0.5286 ( 2018 PWs) bands (ev): -5.2002 -5.2002 -3.8515 -3.8515 -2.0944 -2.0944 -1.7046 -1.7046 0.9332 0.9332 1.8634 1.8634 3.6173 3.6173 3.8222 3.8222 4.2147 4.2147 4.8494 4.8494 7.1434 7.1434 7.3712 7.3712 7.9549 7.9549 8.2162 8.2162 k = 0.1646 0.4796 0.5286 ( 2018 PWs) bands (ev): -5.1236 -5.1236 -3.7816 -3.7816 -2.1950 -2.1950 -1.7300 -1.7300 0.9565 0.9565 1.8034 1.8034 3.5436 3.5436 3.8162 3.8162 4.1014 4.1014 4.9041 4.9041 7.0404 7.0404 7.4291 7.4291 7.9417 7.9417 8.1653 8.1653 k = 0.1707 0.4974 0.5286 ( 2002 PWs) bands (ev): -5.0444 -5.0444 -3.7096 -3.7096 -2.3003 -2.3003 -1.7615 -1.7615 0.9899 0.9899 1.7548 1.7548 3.4404 3.4404 3.7638 3.7638 4.0642 4.0642 4.9688 4.9688 6.9154 6.9154 7.5069 7.5069 7.8642 7.8642 8.1839 8.1839 k = 0.1768 0.5152 0.5286 ( 2002 PWs) bands (ev): -4.9625 -4.9625 -3.6355 -3.6355 -2.4094 -2.4094 -1.7992 -1.7992 1.0325 1.0325 1.7179 1.7179 3.3271 3.3271 3.6496 3.6496 4.1015 4.1015 5.0409 5.0409 6.7850 6.7850 7.5783 7.5783 7.7692 7.7692 8.2360 8.2360 k = 0.1829 0.5329 0.5286 ( 2006 PWs) bands (ev): -4.8780 -4.8780 -3.5595 -3.5595 -2.5216 -2.5216 -1.8431 -1.8431 1.0836 1.0836 1.6926 1.6926 3.2102 3.2102 3.5134 3.5134 4.1690 4.1690 5.1192 5.1192 6.6530 6.6530 7.5710 7.5710 7.7464 7.7464 8.3007 8.3007 k = 0.1890 0.5507 0.5286 ( 2002 PWs) bands (ev): -4.7909 -4.7909 -3.4817 -3.4817 -2.6359 -2.6359 -1.8931 -1.8931 1.1425 1.1425 1.6789 1.6789 3.0925 3.0925 3.3719 3.3719 4.2486 4.2486 5.2026 5.2026 6.5209 6.5209 7.4675 7.4675 7.8187 7.8187 8.3719 8.3719 k = 0.1951 0.5684 0.5286 ( 2010 PWs) bands (ev): -4.7012 -4.7012 -3.4022 -3.4022 -2.7518 -2.7518 -1.9488 -1.9488 1.2085 1.2085 1.6765 1.6765 2.9754 2.9754 3.2299 3.2299 4.3350 4.3350 5.2904 5.2904 6.3894 6.3894 7.3452 7.3452 7.9103 7.9103 8.4478 8.4478 k = 0.2012 0.5862 0.5286 ( 2020 PWs) bands (ev): -4.6090 -4.6090 -3.3211 -3.3211 -2.8688 -2.8688 -2.0099 -2.0099 1.2810 1.2810 1.6851 1.6851 2.8599 2.8599 3.0893 3.0893 4.4262 4.4262 5.3821 5.3821 6.2588 6.2588 7.2192 7.2192 8.0074 8.0074 8.5274 8.5274 k = 0.2073 0.6040 0.5286 ( 2020 PWs) bands (ev): -4.5143 -4.5143 -3.2386 -3.2386 -2.9862 -2.9862 -2.0760 -2.0760 1.3595 1.3595 1.7042 1.7042 2.7468 2.7468 2.9508 2.9508 4.5212 4.5212 5.4773 5.4773 6.1295 6.1295 7.0922 7.0922 8.1075 8.1075 8.6102 8.6102 k = 0.2134 0.6217 0.5286 ( 2020 PWs) bands (ev): -4.4172 -4.4172 -3.1553 -3.1553 -3.1033 -3.1033 -2.1464 -2.1464 1.4436 1.4436 1.7333 1.7333 2.6364 2.6364 2.8152 2.8152 4.6195 4.6195 5.5756 5.5756 6.0018 6.0018 6.9656 6.9656 8.2099 8.2099 8.6958 8.6958 k = 0.2195 0.6395 0.5286 ( 2004 PWs) bands (ev): -4.3178 -4.3178 -3.2212 -3.2212 -3.0697 -3.0697 -2.2207 -2.2207 1.5328 1.5328 1.7719 1.7719 2.5292 2.5292 2.6827 2.6827 4.7209 4.7209 5.6761 5.6761 5.8768 5.8768 6.8397 6.8397 8.3143 8.3143 8.7841 8.7841 k = 0.2256 0.6573 0.5286 ( 2008 PWs) bands (ev): -4.2161 -4.2161 -3.3377 -3.3377 -2.9842 -2.9842 -2.2983 -2.2983 1.6265 1.6265 1.8196 1.8196 2.4255 2.4255 2.5540 2.5540 4.8251 4.8251 5.7374 5.7374 5.7956 5.7956 6.7151 6.7151 8.4206 8.4206 8.8747 8.8747 k = 0.2317 0.6750 0.5286 ( 2008 PWs) bands (ev): -4.1122 -4.1122 -3.4533 -3.4533 -2.8980 -2.8980 -2.3785 -2.3785 1.7243 1.7243 1.8757 1.8757 2.3254 2.3254 2.4297 2.4297 4.9320 4.9320 5.6243 5.6243 5.8934 5.8934 6.5921 6.5921 8.5287 8.5287 8.9675 8.9675 k = 0.2378 0.6928 0.5286 ( 2008 PWs) bands (ev): -4.0063 -4.0063 -3.5678 -3.5678 -2.8116 -2.8116 -2.4610 -2.4610 1.8252 1.8252 1.9400 1.9400 2.2285 2.2285 2.3112 2.3112 5.0415 5.0415 5.5044 5.5044 6.0028 6.0028 6.4708 6.4708 8.6386 8.6386 9.0610 9.0610 k = 0.2439 0.7106 0.5286 ( 2000 PWs) bands (ev): -3.8983 -3.8983 -3.6808 -3.6808 -2.7251 -2.7251 -2.5451 -2.5451 1.9272 1.9272 2.0100 2.0100 2.1359 2.1359 2.2017 2.2017 5.1534 5.1534 5.3859 5.3859 6.1153 6.1153 6.3514 6.3514 8.7501 8.7501 8.9804 8.9804 k = 0.2500 0.7283 0.5286 ( 2004 PWs) bands (ev): -3.7936 -3.7936 -3.7873 -3.7873 -2.6390 -2.6390 -2.6303 -2.6303 2.0163 2.0163 2.0224 2.0224 2.1104 2.1104 2.1156 2.1156 5.2676 5.2676 5.2695 5.2695 6.2303 6.2303 6.2341 6.2341 8.8625 8.8625 8.8665 8.8665 Writing output data file Sb.save init_run : 0.15s CPU 0.30s WALL ( 1 calls) electrons : 64.73s CPU 66.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 64.73s CPU 66.02s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 299 calls) cegterg : 58.22s CPU 59.12s WALL ( 404 calls) Called by sum_band: Called by *egterg: h_psi : 34.63s CPU 35.84s WALL ( 6704 calls) s_psi : 1.91s CPU 2.11s WALL ( 6704 calls) g_psi : 0.05s CPU 0.06s WALL ( 6001 calls) cdiaghg : 21.61s CPU 20.99s WALL ( 6300 calls) cegterg:over : 1.31s CPU 1.42s WALL ( 6001 calls) cegterg:upda : 1.01s CPU 1.09s WALL ( 6001 calls) cegterg:last : 0.47s CPU 0.54s WALL ( 1108 calls) cdiaghg:chol : 1.12s CPU 1.08s WALL ( 6300 calls) cdiaghg:inve : 0.40s CPU 0.44s WALL ( 6300 calls) cdiaghg:para : 1.40s CPU 1.30s WALL ( 12600 calls) Called by h_psi: h_psi:vloc : 30.05s CPU 31.31s WALL ( 6704 calls) h_psi:vnl : 4.52s CPU 4.49s WALL ( 6704 calls) add_vuspsi : 2.63s CPU 2.55s WALL ( 6704 calls) General routines calbec : 1.85s CPU 1.92s WALL ( 6704 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.72s CPU 28.97s WALL ( 404140 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.18s WALL ( 598 calls) Parallel routines fft_scatter : 8.90s CPU 9.28s WALL ( 404163 calls) PWSCF : 1m11.30s CPU 1m22.74s WALL This run was terminated on: 21:14: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=