Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:51:10 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: ./SrHgO2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 80 36 10 2157 642 104 Max 81 37 11 2160 662 108 Sum 2909 1311 389 77717 23615 3827 bravais-lattice index = 14 lattice parameter (alat) = 12.6740 a.u. unit-cell volume = 542.0956 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.674017 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.837174 celldm(5)= 0.837174 celldm(6)= 0.837174 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.837174 0.546937 0.000000 ) a(3) = ( 0.837174 0.249231 0.486851 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.530659 -0.935986 ) b(2) = ( 0.000000 1.828365 -0.935986 ) b(3) = ( 0.000000 0.000000 2.054018 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) Sr 10.00 87.62000 Sr( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0102041 -0.0156190 -0.0095509), wk = 0.0031250 k( 3) = ( 0.0204082 -0.0312379 -0.0191018), wk = 0.0031250 k( 4) = ( 0.0306122 -0.0468569 -0.0286526), wk = 0.0031250 k( 5) = ( 0.0408163 -0.0624759 -0.0382035), wk = 0.0031250 k( 6) = ( 0.0510204 -0.0780949 -0.0477544), wk = 0.0031250 k( 7) = ( 0.0612245 -0.0937138 -0.0573053), wk = 0.0031250 k( 8) = ( 0.0714286 -0.1093328 -0.0668562), wk = 0.0031250 k( 9) = ( 0.0816327 -0.1249518 -0.0764071), wk = 0.0031250 k( 10) = ( 0.0918367 -0.1405707 -0.0859579), wk = 0.0031250 k( 11) = ( 0.1020408 -0.1561897 -0.0955088), wk = 0.0031250 k( 12) = ( 0.1122449 -0.1718087 -0.1050597), wk = 0.0031250 k( 13) = ( 0.1224490 -0.1874276 -0.1146106), wk = 0.0031250 k( 14) = ( 0.1326531 -0.2030466 -0.1241615), wk = 0.0031250 k( 15) = ( 0.1428571 -0.2186656 -0.1337123), wk = 0.0031250 k( 16) = ( 0.1530612 -0.2342846 -0.1432632), wk = 0.0031250 k( 17) = ( 0.1632653 -0.2499035 -0.1528141), wk = 0.0031250 k( 18) = ( 0.1734694 -0.2655225 -0.1623650), wk = 0.0031250 k( 19) = ( 0.1836735 -0.2811415 -0.1719159), wk = 0.0031250 k( 20) = ( 0.1938776 -0.2967604 -0.1814668), wk = 0.0031250 k( 21) = ( 0.2040816 -0.3123794 -0.1910176), wk = 0.0031250 k( 22) = ( 0.2142857 -0.3279984 -0.2005685), wk = 0.0031250 k( 23) = ( 0.2244898 -0.3436174 -0.2101194), wk = 0.0031250 k( 24) = ( 0.2346939 -0.3592363 -0.2196703), wk = 0.0031250 k( 25) = ( 0.2448980 -0.3748553 -0.2292212), wk = 0.0031250 k( 26) = ( 0.2551020 -0.3904743 -0.2387720), wk = 0.0031250 k( 27) = ( 0.2653061 -0.4060932 -0.2483229), wk = 0.0031250 k( 28) = ( 0.2755102 -0.4217122 -0.2578738), wk = 0.0031250 k( 29) = ( 0.2857143 -0.4373312 -0.2674247), wk = 0.0031250 k( 30) = ( 0.2959184 -0.4529502 -0.2769756), wk = 0.0031250 k( 31) = ( 0.3061224 -0.4685691 -0.2865265), wk = 0.0031250 k( 32) = ( 0.3163265 -0.4841881 -0.2960773), wk = 0.0031250 k( 33) = ( 0.3265306 -0.4998071 -0.3056282), wk = 0.0031250 k( 34) = ( 0.3367347 -0.5154260 -0.3151791), wk = 0.0031250 k( 35) = ( 0.3469388 -0.5310450 -0.3247300), wk = 0.0031250 k( 36) = ( 0.3571429 -0.5466640 -0.3342809), wk = 0.0031250 k( 37) = ( 0.3673469 -0.5622829 -0.3438317), wk = 0.0031250 k( 38) = ( 0.3775510 -0.5779019 -0.3533826), wk = 0.0031250 k( 39) = ( 0.3877551 -0.5935209 -0.3629335), wk = 0.0031250 k( 40) = ( 0.3979592 -0.6091398 -0.3724844), wk = 0.0031250 k( 41) = ( 0.4081633 -0.6247588 -0.3820353), wk = 0.0031250 k( 42) = ( 0.4183674 -0.6403778 -0.3915862), wk = 0.0031250 k( 43) = ( 0.4285714 -0.6559968 -0.4011370), wk = 0.0031250 k( 44) = ( 0.4387755 -0.6716157 -0.4106879), wk = 0.0031250 k( 45) = ( 0.4489796 -0.6872347 -0.4202388), wk = 0.0031250 k( 46) = ( 0.4591837 -0.7028537 -0.4297897), wk = 0.0031250 k( 47) = ( 0.4693878 -0.7184727 -0.4393406), wk = 0.0031250 k( 48) = ( 0.4795918 -0.7340916 -0.4488914), wk = 0.0031250 k( 49) = ( 0.4897959 -0.7497106 -0.4584423), wk = 0.0031250 k( 50) = ( 0.5000000 -0.7653296 -0.4679932), wk = 0.0031250 k( 51) = ( 0.5000000 -0.7653296 -0.4679932), wk = 0.0031250 k( 52) = ( 0.5000000 -0.7543027 -0.4860260), wk = 0.0031250 k( 53) = ( 0.5000000 -0.7432758 -0.5040587), wk = 0.0031250 k( 54) = ( 0.5000000 -0.7322489 -0.5220915), wk = 0.0031250 k( 55) = ( 0.5000000 -0.7212220 -0.5401242), wk = 0.0031250 k( 56) = ( 0.5000000 -0.7101951 -0.5581570), wk = 0.0031250 k( 57) = ( 0.5000000 -0.6991682 -0.5761898), wk = 0.0031250 k( 58) = ( 0.5000000 -0.6881413 -0.5942225), wk = 0.0031250 k( 59) = ( 0.5000000 -0.6771144 -0.6122553), wk = 0.0031250 k( 60) = ( 0.5000000 -0.6660875 -0.6302880), wk = 0.0031250 k( 61) = ( 0.5000000 -0.6550606 -0.6483208), wk = 0.0031250 k( 62) = ( 0.5000000 -0.6440337 -0.6663536), wk = 0.0031250 k( 63) = ( 0.5000000 -0.6330068 -0.6843863), wk = 0.0031250 k( 64) = ( 0.5000000 -0.6219799 -0.7024191), wk = 0.0031250 k( 65) = ( 0.5000000 -0.6109530 -0.7204518), wk = 0.0031250 k( 66) = ( 0.5000000 -0.5999261 -0.7384846), wk = 0.0031250 k( 67) = ( 0.5000000 -0.5888992 -0.7565174), wk = 0.0031250 k( 68) = ( 0.5000000 -0.5778723 -0.7745501), wk = 0.0031250 k( 69) = ( 0.5000000 -0.5668454 -0.7925829), wk = 0.0031250 k( 70) = ( 0.5000000 -0.5558186 -0.8106156), wk = 0.0031250 k( 71) = ( 0.5000000 -0.5447916 -0.8286484), wk = 0.0031250 k( 72) = ( 0.5000000 -0.5337648 -0.8466812), wk = 0.0031250 k( 73) = ( 0.5000000 -0.5227379 -0.8647139), wk = 0.0031250 k( 74) = ( 0.5000000 -0.5117110 -0.8827467), wk = 0.0031250 k( 75) = ( 0.5000000 -0.5006841 -0.9007794), wk = 0.0031250 k( 76) = ( 0.5000000 -0.4896572 -0.9188122), wk = 0.0031250 k( 77) = ( 0.5000000 -0.4786303 -0.9368450), wk = 0.0031250 k( 78) = ( 0.5000000 -0.4676034 -0.9548777), wk = 0.0031250 k( 79) = ( 0.5000000 -0.4565765 -0.9729105), wk = 0.0031250 k( 80) = ( 0.5000000 -0.4455496 -0.9909432), wk = 0.0031250 k( 81) = ( 0.5000000 -0.4345227 -1.0089760), wk = 0.0031250 k( 82) = ( 0.5000000 -0.4234958 -1.0270088), wk = 0.0031250 k( 83) = ( 0.8130385 -0.3303025 -0.8449641), wk = 0.0031250 k( 84) = ( 0.8070186 -0.3210880 -0.8269643), wk = 0.0031250 k( 85) = ( 0.8009986 -0.3118735 -0.8089646), wk = 0.0031250 k( 86) = ( 0.7949786 -0.3026589 -0.7909649), wk = 0.0031250 k( 87) = ( 0.7889586 -0.2934444 -0.7729651), wk = 0.0031250 k( 88) = ( 0.7829387 -0.2842299 -0.7549654), wk = 0.0031250 k( 89) = ( 0.7769187 -0.2750153 -0.7369656), wk = 0.0031250 k( 90) = ( 0.7708987 -0.2658008 -0.7189659), wk = 0.0031250 k( 91) = ( 0.7648788 -0.2565863 -0.7009662), wk = 0.0031250 k( 92) = ( 0.7588588 -0.2473718 -0.6829664), wk = 0.0031250 k( 93) = ( 0.7528388 -0.2381573 -0.6649667), wk = 0.0031250 k( 94) = ( 0.7468188 -0.2289427 -0.6469670), wk = 0.0031250 k( 95) = ( 0.7407989 -0.2197282 -0.6289672), wk = 0.0031250 k( 96) = ( 0.7347789 -0.2105137 -0.6109675), wk = 0.0031250 k( 97) = ( 0.7287589 -0.2012992 -0.5929677), wk = 0.0031250 k( 98) = ( 0.7227389 -0.1920846 -0.5749680), wk = 0.0031250 k( 99) = ( 0.7167190 -0.1828701 -0.5569683), wk = 0.0031250 k( 100) = ( 0.7106990 -0.1736556 -0.5389685), wk = 0.0031250 k( 101) = ( 0.7046790 -0.1644411 -0.5209688), wk = 0.0031250 k( 102) = ( 0.6986591 -0.1552265 -0.5029690), wk = 0.0031250 k( 103) = ( 0.6926391 -0.1460120 -0.4849693), wk = 0.0031250 k( 104) = ( 0.6866191 -0.1367975 -0.4669696), wk = 0.0031250 k( 105) = ( 0.6805992 -0.1275830 -0.4489698), wk = 0.0031250 k( 106) = ( 0.6745792 -0.1183684 -0.4309701), wk = 0.0031250 k( 107) = ( 0.6685592 -0.1091539 -0.4129704), wk = 0.0031250 k( 108) = ( 0.6625392 -0.0999394 -0.3949706), wk = 0.0031250 k( 109) = ( 0.6565193 -0.0907249 -0.3769709), wk = 0.0031250 k( 110) = ( 0.6504993 -0.0815103 -0.3589711), wk = 0.0031250 k( 111) = ( 0.6444793 -0.0722958 -0.3409714), wk = 0.0031250 k( 112) = ( 0.6384593 -0.0630813 -0.3229717), wk = 0.0031250 k( 113) = ( 0.6324394 -0.0538668 -0.3049719), wk = 0.0031250 k( 114) = ( 0.6264194 -0.0446522 -0.2869722), wk = 0.0031250 k( 115) = ( 0.6203994 -0.0354377 -0.2689724), wk = 0.0031250 k( 116) = ( 0.6143795 -0.0262232 -0.2509727), wk = 0.0031250 k( 117) = ( 0.6083595 -0.0170087 -0.2329730), wk = 0.0031250 k( 118) = ( 0.6023395 -0.0077941 -0.2149732), wk = 0.0031250 k( 119) = ( 0.5963196 0.0014204 -0.1969735), wk = 0.0031250 k( 120) = ( 0.5902996 0.0106349 -0.1789737), wk = 0.0031250 k( 121) = ( 0.5842796 0.0198494 -0.1609740), wk = 0.0031250 k( 122) = ( 0.5782596 0.0290640 -0.1429743), wk = 0.0031250 k( 123) = ( 0.5722397 0.0382785 -0.1249745), wk = 0.0031250 k( 124) = ( 0.5662197 0.0474930 -0.1069748), wk = 0.0031250 k( 125) = ( 0.5601997 0.0567075 -0.0889751), wk = 0.0031250 k( 126) = ( 0.5541797 0.0659221 -0.0709753), wk = 0.0031250 k( 127) = ( 0.5481598 0.0751366 -0.0529756), wk = 0.0031250 k( 128) = ( 0.5421398 0.0843511 -0.0349758), wk = 0.0031250 k( 129) = ( 0.5361198 0.0935656 -0.0169761), wk = 0.0031250 k( 130) = ( 0.5300999 0.1027801 0.0010236), wk = 0.0031250 k( 131) = ( 0.5240799 0.1119947 0.0190234), wk = 0.0031250 k( 132) = ( 0.5180599 0.1212092 0.0370231), wk = 0.0031250 k( 133) = ( 0.5120399 0.1304237 0.0550229), wk = 0.0031250 k( 134) = ( 0.5060200 0.1396382 0.0730226), wk = 0.0031250 k( 135) = ( 0.5000000 0.1488528 0.0910223), wk = 0.0031250 k( 136) = ( 0.5000000 0.1488528 0.0910223), wk = 0.0031250 k( 137) = ( 0.4800000 0.1428987 0.0873814), wk = 0.0031250 k( 138) = ( 0.4600000 0.1369445 0.0837406), wk = 0.0031250 k( 139) = ( 0.4400000 0.1309904 0.0800997), wk = 0.0031250 k( 140) = ( 0.4200000 0.1250363 0.0764588), wk = 0.0031250 k( 141) = ( 0.4000000 0.1190822 0.0728179), wk = 0.0031250 k( 142) = ( 0.3800000 0.1131281 0.0691770), wk = 0.0031250 k( 143) = ( 0.3600000 0.1071740 0.0655361), wk = 0.0031250 k( 144) = ( 0.3400000 0.1012199 0.0618952), wk = 0.0031250 k( 145) = ( 0.3200000 0.0952658 0.0582543), wk = 0.0031250 k( 146) = ( 0.3000000 0.0893117 0.0546134), wk = 0.0031250 k( 147) = ( 0.2800000 0.0833576 0.0509725), wk = 0.0031250 k( 148) = ( 0.2600000 0.0774034 0.0473316), wk = 0.0031250 k( 149) = ( 0.2400000 0.0714493 0.0436907), wk = 0.0031250 k( 150) = ( 0.2200000 0.0654952 0.0400498), wk = 0.0031250 k( 151) = ( 0.2000000 0.0595411 0.0364089), wk = 0.0031250 k( 152) = ( 0.1800000 0.0535870 0.0327680), wk = 0.0031250 k( 153) = ( 0.1600000 0.0476329 0.0291271), wk = 0.0031250 k( 154) = ( 0.1400000 0.0416788 0.0254863), wk = 0.0031250 k( 155) = ( 0.1200000 0.0357247 0.0218454), wk = 0.0031250 k( 156) = ( 0.1000000 0.0297706 0.0182045), wk = 0.0031250 k( 157) = ( 0.0800000 0.0238164 0.0145636), wk = 0.0031250 k( 158) = ( 0.0600000 0.0178623 0.0109227), wk = 0.0031250 k( 159) = ( 0.0400000 0.0119082 0.0072818), wk = 0.0031250 k( 160) = ( 0.0200000 0.0059541 0.0036409), wk = 0.0031250 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 163) = ( 0.0060260 -0.0092237 -0.0180177), wk = 0.0031250 k( 164) = ( 0.0120520 -0.0184474 -0.0360354), wk = 0.0031250 k( 165) = ( 0.0180779 -0.0276711 -0.0540531), wk = 0.0031250 k( 166) = ( 0.0241039 -0.0368949 -0.0720708), wk = 0.0031250 k( 167) = ( 0.0301299 -0.0461186 -0.0900885), wk = 0.0031250 k( 168) = ( 0.0361559 -0.0553423 -0.1081062), wk = 0.0031250 k( 169) = ( 0.0421818 -0.0645660 -0.1261239), wk = 0.0031250 k( 170) = ( 0.0482078 -0.0737897 -0.1441416), wk = 0.0031250 k( 171) = ( 0.0542338 -0.0830135 -0.1621593), wk = 0.0031250 k( 172) = ( 0.0602598 -0.0922372 -0.1801770), wk = 0.0031250 k( 173) = ( 0.0662858 -0.1014609 -0.1981947), wk = 0.0031250 k( 174) = ( 0.0723117 -0.1106846 -0.2162124), wk = 0.0031250 k( 175) = ( 0.0783377 -0.1199083 -0.2342301), wk = 0.0031250 k( 176) = ( 0.0843637 -0.1291321 -0.2522478), wk = 0.0031250 k( 177) = ( 0.0903897 -0.1383558 -0.2702655), wk = 0.0031250 k( 178) = ( 0.0964157 -0.1475795 -0.2882832), wk = 0.0031250 k( 179) = ( 0.1024416 -0.1568032 -0.3063008), wk = 0.0031250 k( 180) = ( 0.1084676 -0.1660269 -0.3243185), wk = 0.0031250 k( 181) = ( 0.1144936 -0.1752506 -0.3423363), wk = 0.0031250 k( 182) = ( 0.1205196 -0.1844744 -0.3603540), wk = 0.0031250 k( 183) = ( 0.1265455 -0.1936981 -0.3783717), wk = 0.0031250 k( 184) = ( 0.1325715 -0.2029218 -0.3963893), wk = 0.0031250 k( 185) = ( 0.1385975 -0.2121455 -0.4144070), wk = 0.0031250 k( 186) = ( 0.1446235 -0.2213692 -0.4324247), wk = 0.0031250 k( 187) = ( 0.1506494 -0.2305930 -0.4504424), wk = 0.0031250 k( 188) = ( 0.1566754 -0.2398167 -0.4684601), wk = 0.0031250 k( 189) = ( 0.1627014 -0.2490404 -0.4864778), wk = 0.0031250 k( 190) = ( 0.1687274 -0.2582641 -0.5044955), wk = 0.0031250 k( 191) = ( 0.1747534 -0.2674878 -0.5225132), wk = 0.0031250 k( 192) = ( 0.1807793 -0.2767115 -0.5405309), wk = 0.0031250 k( 193) = ( 0.1868053 -0.2859353 -0.5585486), wk = 0.0031250 k( 194) = ( 0.1928313 -0.2951590 -0.5765663), wk = 0.0031250 k( 195) = ( 0.1988573 -0.3043827 -0.5945840), wk = 0.0031250 k( 196) = ( 0.2048832 -0.3136064 -0.6126017), wk = 0.0031250 k( 197) = ( 0.2109092 -0.3228301 -0.6306194), wk = 0.0031250 k( 198) = ( 0.2169352 -0.3320538 -0.6486371), wk = 0.0031250 k( 199) = ( 0.2229612 -0.3412776 -0.6666548), wk = 0.0031250 k( 200) = ( 0.2289872 -0.3505013 -0.6846725), wk = 0.0031250 k( 201) = ( 0.2350131 -0.3597250 -0.7026902), wk = 0.0031250 k( 202) = ( 0.2410391 -0.3689487 -0.7207079), wk = 0.0031250 k( 203) = ( 0.2470651 -0.3781724 -0.7387256), wk = 0.0031250 k( 204) = ( 0.2530911 -0.3873962 -0.7567433), wk = 0.0031250 k( 205) = ( 0.2591171 -0.3966199 -0.7747610), wk = 0.0031250 k( 206) = ( 0.2651430 -0.4058436 -0.7927787), wk = 0.0031250 k( 207) = ( 0.2711690 -0.4150673 -0.8107964), wk = 0.0031250 k( 208) = ( 0.2771950 -0.4242910 -0.8288141), wk = 0.0031250 k( 209) = ( 0.2832210 -0.4335147 -0.8468318), wk = 0.0031250 k( 210) = ( 0.2892469 -0.4427385 -0.8648495), wk = 0.0031250 k( 211) = ( 0.2952729 -0.4519622 -0.8828672), wk = 0.0031250 k( 212) = ( 0.3012989 -0.4611859 -0.9008849), wk = 0.0031250 k( 213) = ( 0.3073249 -0.4704096 -0.9189026), wk = 0.0031250 k( 214) = ( 0.3133509 -0.4796333 -0.9369203), wk = 0.0031250 k( 215) = ( 0.3193768 -0.4888571 -0.9549380), wk = 0.0031250 k( 216) = ( 0.3254028 -0.4980808 -0.9729556), wk = 0.0031250 k( 217) = ( 0.3314288 -0.5073045 -0.9909734), wk = 0.0031250 k( 218) = ( 0.3374548 -0.5165282 -1.0089911), wk = 0.0031250 k( 219) = ( 0.3434807 -0.5257519 -1.0270088), wk = 0.0031250 k( 220) = ( 0.6565193 -0.3768991 -0.9359864), wk = 0.0031250 k( 221) = ( 0.6504993 -0.3566779 -0.9359864), wk = 0.0031250 k( 222) = ( 0.6444793 -0.3364567 -0.9359864), wk = 0.0031250 k( 223) = ( 0.6384593 -0.3162355 -0.9359864), wk = 0.0031250 k( 224) = ( 0.6324394 -0.2960143 -0.9359864), wk = 0.0031250 k( 225) = ( 0.6264194 -0.2757930 -0.9359864), wk = 0.0031250 k( 226) = ( 0.6203994 -0.2555718 -0.9359864), wk = 0.0031250 k( 227) = ( 0.6143795 -0.2353506 -0.9359864), wk = 0.0031250 k( 228) = ( 0.6083595 -0.2151293 -0.9359864), wk = 0.0031250 k( 229) = ( 0.6023395 -0.1949081 -0.9359864), wk = 0.0031250 k( 230) = ( 0.5963196 -0.1746869 -0.9359864), wk = 0.0031250 k( 231) = ( 0.5902996 -0.1544656 -0.9359864), wk = 0.0031250 k( 232) = ( 0.5842796 -0.1342444 -0.9359864), wk = 0.0031250 k( 233) = ( 0.5782596 -0.1140232 -0.9359864), wk = 0.0031250 k( 234) = ( 0.5722397 -0.0938020 -0.9359864), wk = 0.0031250 k( 235) = ( 0.5662197 -0.0735807 -0.9359864), wk = 0.0031250 k( 236) = ( 0.5601997 -0.0533595 -0.9359864), wk = 0.0031250 k( 237) = ( 0.5541797 -0.0331383 -0.9359864), wk = 0.0031250 k( 238) = ( 0.5481598 -0.0129170 -0.9359864), wk = 0.0031250 k( 239) = ( 0.5421398 0.0073042 -0.9359864), wk = 0.0031250 k( 240) = ( 0.5361198 0.0275254 -0.9359864), wk = 0.0031250 k( 241) = ( 0.5300999 0.0477466 -0.9359864), wk = 0.0031250 k( 242) = ( 0.5240799 0.0679678 -0.9359864), wk = 0.0031250 k( 243) = ( 0.5180599 0.0881891 -0.9359864), wk = 0.0031250 k( 244) = ( 0.5120399 0.1084103 -0.9359864), wk = 0.0031250 k( 245) = ( 0.5060200 0.1286315 -0.9359864), wk = 0.0031250 k( 246) = ( 0.5000000 0.1488528 -0.9359864), wk = 0.0031250 k( 247) = ( 0.5000000 0.1488528 -0.9359864), wk = 0.0031250 k( 248) = ( 0.5173910 0.1540302 -0.9258728), wk = 0.0031250 k( 249) = ( 0.5347821 0.1592076 -0.9157592), wk = 0.0031250 k( 250) = ( 0.5521731 0.1643850 -0.9056456), wk = 0.0031250 k( 251) = ( 0.5695641 0.1695624 -0.8955320), wk = 0.0031250 k( 252) = ( 0.5869551 0.1747398 -0.8854185), wk = 0.0031250 k( 253) = ( 0.6043462 0.1799172 -0.8753049), wk = 0.0031250 k( 254) = ( 0.6217372 0.1850946 -0.8651913), wk = 0.0031250 k( 255) = ( 0.6391282 0.1902720 -0.8550777), wk = 0.0031250 k( 256) = ( 0.6565193 0.1954494 -0.8449641), wk = 0.0031250 k( 257) = ( 0.6565193 0.1954494 -0.8449641), wk = 0.0031250 k( 258) = ( 0.6530411 0.1944139 -0.8241644), wk = 0.0031250 k( 259) = ( 0.6495629 0.1933785 -0.8033647), wk = 0.0031250 k( 260) = ( 0.6460846 0.1923430 -0.7825650), wk = 0.0031250 k( 261) = ( 0.6426064 0.1913075 -0.7617653), wk = 0.0031250 k( 262) = ( 0.6391282 0.1902720 -0.7409656), wk = 0.0031250 k( 263) = ( 0.6356500 0.1892365 -0.7201659), wk = 0.0031250 k( 264) = ( 0.6321718 0.1882011 -0.6993662), wk = 0.0031250 k( 265) = ( 0.6286936 0.1871656 -0.6785665), wk = 0.0031250 k( 266) = ( 0.6252154 0.1861301 -0.6577668), wk = 0.0031250 k( 267) = ( 0.6217372 0.1850946 -0.6369671), wk = 0.0031250 k( 268) = ( 0.6182590 0.1840591 -0.6161674), wk = 0.0031250 k( 269) = ( 0.6147808 0.1830236 -0.5953677), wk = 0.0031250 k( 270) = ( 0.6113026 0.1819882 -0.5745680), wk = 0.0031250 k( 271) = ( 0.6078244 0.1809527 -0.5537683), wk = 0.0031250 k( 272) = ( 0.6043462 0.1799172 -0.5329686), wk = 0.0031250 k( 273) = ( 0.6008680 0.1788817 -0.5121689), wk = 0.0031250 k( 274) = ( 0.5973898 0.1778462 -0.4913692), wk = 0.0031250 k( 275) = ( 0.5939116 0.1768108 -0.4705695), wk = 0.0031250 k( 276) = ( 0.5904333 0.1757753 -0.4497698), wk = 0.0031250 k( 277) = ( 0.5869551 0.1747398 -0.4289701), wk = 0.0031250 k( 278) = ( 0.5834769 0.1737043 -0.4081704), wk = 0.0031250 k( 279) = ( 0.5799987 0.1726688 -0.3873707), wk = 0.0031250 k( 280) = ( 0.5765205 0.1716334 -0.3665710), wk = 0.0031250 k( 281) = ( 0.5730423 0.1705979 -0.3457713), wk = 0.0031250 k( 282) = ( 0.5695641 0.1695624 -0.3249716), wk = 0.0031250 k( 283) = ( 0.5660859 0.1685269 -0.3041719), wk = 0.0031250 k( 284) = ( 0.5626077 0.1674914 -0.2833722), wk = 0.0031250 k( 285) = ( 0.5591295 0.1664560 -0.2625725), wk = 0.0031250 k( 286) = ( 0.5556513 0.1654205 -0.2417728), wk = 0.0031250 k( 287) = ( 0.5521731 0.1643850 -0.2209731), wk = 0.0031250 k( 288) = ( 0.5486949 0.1633495 -0.2001734), wk = 0.0031250 k( 289) = ( 0.5452167 0.1623140 -0.1793737), wk = 0.0031250 k( 290) = ( 0.5417385 0.1612785 -0.1585740), wk = 0.0031250 k( 291) = ( 0.5382603 0.1602431 -0.1377743), wk = 0.0031250 k( 292) = ( 0.5347821 0.1592076 -0.1169747), wk = 0.0031250 k( 293) = ( 0.5313039 0.1581721 -0.0961749), wk = 0.0031250 k( 294) = ( 0.5278257 0.1571366 -0.0753752), wk = 0.0031250 k( 295) = ( 0.5243474 0.1561011 -0.0545755), wk = 0.0031250 k( 296) = ( 0.5208692 0.1550657 -0.0337758), wk = 0.0031250 k( 297) = ( 0.5173910 0.1540302 -0.0129762), wk = 0.0031250 k( 298) = ( 0.5139128 0.1529947 0.0078235), wk = 0.0031250 k( 299) = ( 0.5104346 0.1519592 0.0286232), wk = 0.0031250 k( 300) = ( 0.5069564 0.1509237 0.0494230), wk = 0.0031250 k( 301) = ( 0.5034782 0.1498883 0.0702226), wk = 0.0031250 k( 302) = ( 0.5000000 0.1488528 0.0910223), wk = 0.0031250 k( 303) = ( 0.5000000 -0.7653296 -0.4679932), wk = 0.0031250 k( 304) = ( 0.5184140 -0.7565735 -0.4626390), wk = 0.0031250 k( 305) = ( 0.5368281 -0.7478175 -0.4572847), wk = 0.0031250 k( 306) = ( 0.5552421 -0.7390614 -0.4519304), wk = 0.0031250 k( 307) = ( 0.5736561 -0.7303054 -0.4465762), wk = 0.0031250 k( 308) = ( 0.5920701 -0.7215493 -0.4412219), wk = 0.0031250 k( 309) = ( 0.6104842 -0.7127933 -0.4358677), wk = 0.0031250 k( 310) = ( 0.6288982 -0.7040372 -0.4305134), wk = 0.0031250 k( 311) = ( 0.6473123 -0.6952812 -0.4251592), wk = 0.0031250 k( 312) = ( 0.6657263 -0.6865252 -0.4198049), wk = 0.0031250 k( 313) = ( 0.6841403 -0.6777691 -0.4144507), wk = 0.0031250 k( 314) = ( 0.7025543 -0.6690131 -0.4090964), wk = 0.0031250 k( 315) = ( 0.7209684 -0.6602570 -0.4037421), wk = 0.0031250 k( 316) = ( 0.7393824 -0.6515010 -0.3983879), wk = 0.0031250 k( 317) = ( 0.7577964 -0.6427449 -0.3930336), wk = 0.0031250 k( 318) = ( 0.7762105 -0.6339889 -0.3876794), wk = 0.0031250 k( 319) = ( 0.7946245 -0.6252328 -0.3823251), wk = 0.0031250 k( 320) = ( 0.8130385 -0.6164768 -0.3769709), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0102041 -0.0000000 -0.0000000), wk = 0.0031250 k( 3) = ( 0.0204082 -0.0000000 -0.0000000), wk = 0.0031250 k( 4) = ( 0.0306122 -0.0000000 0.0000000), wk = 0.0031250 k( 5) = ( 0.0408163 -0.0000000 0.0000000), wk = 0.0031250 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0031250 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0031250 k( 8) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0031250 k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0031250 k( 10) = ( 0.0918367 -0.0000000 0.0000000), wk = 0.0031250 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0031250 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0031250 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0031250 k( 14) = ( 0.1326531 -0.0000000 0.0000000), wk = 0.0031250 k( 15) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0031250 k( 16) = ( 0.1530612 -0.0000000 0.0000000), wk = 0.0031250 k( 17) = ( 0.1632653 -0.0000000 -0.0000000), wk = 0.0031250 k( 18) = ( 0.1734694 -0.0000000 0.0000000), wk = 0.0031250 k( 19) = ( 0.1836735 -0.0000000 -0.0000000), wk = 0.0031250 k( 20) = ( 0.1938776 -0.0000000 0.0000000), wk = 0.0031250 k( 21) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0031250 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0031250 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0031250 k( 24) = ( 0.2346939 -0.0000000 -0.0000000), wk = 0.0031250 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0031250 k( 26) = ( 0.2551020 -0.0000000 -0.0000000), wk = 0.0031250 k( 27) = ( 0.2653061 -0.0000000 0.0000000), wk = 0.0031250 k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0031250 k( 29) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0031250 k( 30) = ( 0.2959184 -0.0000000 -0.0000000), wk = 0.0031250 k( 31) = ( 0.3061224 -0.0000000 -0.0000000), wk = 0.0031250 k( 32) = ( 0.3163265 -0.0000000 0.0000000), wk = 0.0031250 k( 33) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0031250 k( 34) = ( 0.3367347 -0.0000000 -0.0000000), wk = 0.0031250 k( 35) = ( 0.3469388 -0.0000000 0.0000000), wk = 0.0031250 k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0031250 k( 37) = ( 0.3673469 -0.0000000 -0.0000000), wk = 0.0031250 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0031250 k( 39) = ( 0.3877551 -0.0000000 0.0000000), wk = 0.0031250 k( 40) = ( 0.3979592 -0.0000000 0.0000000), wk = 0.0031250 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0031250 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0031250 k( 43) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0031250 k( 44) = ( 0.4387755 -0.0000000 0.0000000), wk = 0.0031250 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0031250 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0031250 k( 47) = ( 0.4693878 -0.0000000 -0.0000000), wk = 0.0031250 k( 48) = ( 0.4795918 -0.0000000 -0.0000000), wk = 0.0031250 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031250 k( 52) = ( 0.5000000 0.0060310 -0.0060310), wk = 0.0031250 k( 53) = ( 0.5000000 0.0120620 -0.0120620), wk = 0.0031250 k( 54) = ( 0.5000000 0.0180930 -0.0180931), wk = 0.0031250 k( 55) = ( 0.5000000 0.0241241 -0.0241241), wk = 0.0031250 k( 56) = ( 0.5000000 0.0301551 -0.0301551), wk = 0.0031250 k( 57) = ( 0.5000000 0.0361861 -0.0361861), wk = 0.0031250 k( 58) = ( 0.5000000 0.0422171 -0.0422171), wk = 0.0031250 k( 59) = ( 0.5000000 0.0482481 -0.0482481), wk = 0.0031250 k( 60) = ( 0.5000000 0.0542791 -0.0542791), wk = 0.0031250 k( 61) = ( 0.5000000 0.0603102 -0.0603102), wk = 0.0031250 k( 62) = ( 0.5000000 0.0663412 -0.0663412), wk = 0.0031250 k( 63) = ( 0.5000000 0.0723722 -0.0723722), wk = 0.0031250 k( 64) = ( 0.5000000 0.0784032 -0.0784032), wk = 0.0031250 k( 65) = ( 0.5000000 0.0844342 -0.0844342), wk = 0.0031250 k( 66) = ( 0.5000000 0.0904652 -0.0904652), wk = 0.0031250 k( 67) = ( 0.5000000 0.0964963 -0.0964962), wk = 0.0031250 k( 68) = ( 0.5000000 0.1025273 -0.1025273), wk = 0.0031250 k( 69) = ( 0.5000000 0.1085583 -0.1085583), wk = 0.0031250 k( 70) = ( 0.5000000 0.1145893 -0.1145893), wk = 0.0031250 k( 71) = ( 0.5000000 0.1206203 -0.1206203), wk = 0.0031250 k( 72) = ( 0.5000000 0.1266513 -0.1266513), wk = 0.0031250 k( 73) = ( 0.5000000 0.1326823 -0.1326823), wk = 0.0031250 k( 74) = ( 0.5000000 0.1387134 -0.1387133), wk = 0.0031250 k( 75) = ( 0.5000000 0.1447444 -0.1447444), wk = 0.0031250 k( 76) = ( 0.5000000 0.1507754 -0.1507754), wk = 0.0031250 k( 77) = ( 0.5000000 0.1568064 -0.1568064), wk = 0.0031250 k( 78) = ( 0.5000000 0.1628374 -0.1628374), wk = 0.0031250 k( 79) = ( 0.5000000 0.1688684 -0.1688684), wk = 0.0031250 k( 80) = ( 0.5000000 0.1748995 -0.1748994), wk = 0.0031250 k( 81) = ( 0.5000000 0.1809305 -0.1809305), wk = 0.0031250 k( 82) = ( 0.5000000 0.1869615 -0.1869615), wk = 0.0031250 k( 83) = ( 0.8130385 0.5000000 0.1869615), wk = 0.0031250 k( 84) = ( 0.8070186 0.5000000 0.1929814), wk = 0.0031250 k( 85) = ( 0.8009986 0.5000000 0.1990014), wk = 0.0031250 k( 86) = ( 0.7949786 0.5000000 0.2050214), wk = 0.0031250 k( 87) = ( 0.7889586 0.5000000 0.2110414), wk = 0.0031250 k( 88) = ( 0.7829387 0.5000000 0.2170613), wk = 0.0031250 k( 89) = ( 0.7769187 0.5000000 0.2230813), wk = 0.0031250 k( 90) = ( 0.7708987 0.5000000 0.2291013), wk = 0.0031250 k( 91) = ( 0.7648788 0.5000000 0.2351213), wk = 0.0031250 k( 92) = ( 0.7588588 0.5000000 0.2411412), wk = 0.0031250 k( 93) = ( 0.7528388 0.5000000 0.2471612), wk = 0.0031250 k( 94) = ( 0.7468188 0.5000000 0.2531812), wk = 0.0031250 k( 95) = ( 0.7407989 0.5000000 0.2592011), wk = 0.0031250 k( 96) = ( 0.7347789 0.5000000 0.2652211), wk = 0.0031250 k( 97) = ( 0.7287589 0.5000000 0.2712411), wk = 0.0031250 k( 98) = ( 0.7227389 0.5000000 0.2772610), wk = 0.0031250 k( 99) = ( 0.7167190 0.5000000 0.2832810), wk = 0.0031250 k( 100) = ( 0.7106990 0.5000000 0.2893010), wk = 0.0031250 k( 101) = ( 0.7046790 0.5000000 0.2953210), wk = 0.0031250 k( 102) = ( 0.6986591 0.5000000 0.3013409), wk = 0.0031250 k( 103) = ( 0.6926391 0.5000000 0.3073609), wk = 0.0031250 k( 104) = ( 0.6866191 0.5000000 0.3133809), wk = 0.0031250 k( 105) = ( 0.6805992 0.5000000 0.3194008), wk = 0.0031250 k( 106) = ( 0.6745792 0.5000000 0.3254208), wk = 0.0031250 k( 107) = ( 0.6685592 0.5000000 0.3314408), wk = 0.0031250 k( 108) = ( 0.6625392 0.5000000 0.3374608), wk = 0.0031250 k( 109) = ( 0.6565193 0.5000000 0.3434807), wk = 0.0031250 k( 110) = ( 0.6504993 0.5000000 0.3495007), wk = 0.0031250 k( 111) = ( 0.6444793 0.5000000 0.3555207), wk = 0.0031250 k( 112) = ( 0.6384593 0.5000000 0.3615407), wk = 0.0031250 k( 113) = ( 0.6324394 0.5000000 0.3675606), wk = 0.0031250 k( 114) = ( 0.6264194 0.5000000 0.3735806), wk = 0.0031250 k( 115) = ( 0.6203994 0.5000000 0.3796006), wk = 0.0031250 k( 116) = ( 0.6143795 0.5000000 0.3856205), wk = 0.0031250 k( 117) = ( 0.6083595 0.5000000 0.3916405), wk = 0.0031250 k( 118) = ( 0.6023395 0.5000000 0.3976605), wk = 0.0031250 k( 119) = ( 0.5963196 0.5000000 0.4036804), wk = 0.0031250 k( 120) = ( 0.5902996 0.5000000 0.4097004), wk = 0.0031250 k( 121) = ( 0.5842796 0.5000000 0.4157204), wk = 0.0031250 k( 122) = ( 0.5782596 0.5000000 0.4217404), wk = 0.0031250 k( 123) = ( 0.5722397 0.5000000 0.4277603), wk = 0.0031250 k( 124) = ( 0.5662197 0.5000000 0.4337803), wk = 0.0031250 k( 125) = ( 0.5601997 0.5000000 0.4398003), wk = 0.0031250 k( 126) = ( 0.5541797 0.5000000 0.4458203), wk = 0.0031250 k( 127) = ( 0.5481598 0.5000000 0.4518402), wk = 0.0031250 k( 128) = ( 0.5421398 0.5000000 0.4578602), wk = 0.0031250 k( 129) = ( 0.5361198 0.5000000 0.4638802), wk = 0.0031250 k( 130) = ( 0.5300999 0.5000000 0.4699001), wk = 0.0031250 k( 131) = ( 0.5240799 0.5000000 0.4759201), wk = 0.0031250 k( 132) = ( 0.5180599 0.5000000 0.4819401), wk = 0.0031250 k( 133) = ( 0.5120399 0.5000000 0.4879601), wk = 0.0031250 k( 134) = ( 0.5060200 0.5000000 0.4939800), wk = 0.0031250 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 137) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0031250 k( 138) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0031250 k( 139) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0031250 k( 140) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0031250 k( 141) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031250 k( 142) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0031250 k( 143) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0031250 k( 144) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0031250 k( 145) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0031250 k( 146) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031250 k( 147) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0031250 k( 148) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0031250 k( 149) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0031250 k( 150) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0031250 k( 151) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031250 k( 152) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0031250 k( 153) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0031250 k( 154) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0031250 k( 155) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0031250 k( 156) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031250 k( 157) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0031250 k( 158) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0031250 k( 159) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0031250 k( 160) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0031250 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 163) = ( 0.0060260 -0.0000000 -0.0060260), wk = 0.0031250 k( 164) = ( 0.0120520 -0.0000000 -0.0120520), wk = 0.0031250 k( 165) = ( 0.0180779 -0.0000000 -0.0180779), wk = 0.0031250 k( 166) = ( 0.0241039 0.0000000 -0.0241039), wk = 0.0031250 k( 167) = ( 0.0301299 -0.0000000 -0.0301299), wk = 0.0031250 k( 168) = ( 0.0361559 -0.0000000 -0.0361559), wk = 0.0031250 k( 169) = ( 0.0421818 0.0000000 -0.0421818), wk = 0.0031250 k( 170) = ( 0.0482078 0.0000000 -0.0482078), wk = 0.0031250 k( 171) = ( 0.0542338 -0.0000000 -0.0542338), wk = 0.0031250 k( 172) = ( 0.0602598 -0.0000000 -0.0602598), wk = 0.0031250 k( 173) = ( 0.0662858 -0.0000000 -0.0662858), wk = 0.0031250 k( 174) = ( 0.0723117 -0.0000000 -0.0723117), wk = 0.0031250 k( 175) = ( 0.0783377 -0.0000000 -0.0783377), wk = 0.0031250 k( 176) = ( 0.0843637 -0.0000000 -0.0843637), wk = 0.0031250 k( 177) = ( 0.0903897 -0.0000000 -0.0903897), wk = 0.0031250 k( 178) = ( 0.0964157 -0.0000000 -0.0964157), wk = 0.0031250 k( 179) = ( 0.1024416 0.0000000 -0.1024416), wk = 0.0031250 k( 180) = ( 0.1084676 -0.0000000 -0.1084676), wk = 0.0031250 k( 181) = ( 0.1144936 -0.0000000 -0.1144936), wk = 0.0031250 k( 182) = ( 0.1205196 -0.0000000 -0.1205196), wk = 0.0031250 k( 183) = ( 0.1265455 0.0000000 -0.1265455), wk = 0.0031250 k( 184) = ( 0.1325715 -0.0000000 -0.1325715), wk = 0.0031250 k( 185) = ( 0.1385975 0.0000000 -0.1385975), wk = 0.0031250 k( 186) = ( 0.1446235 -0.0000000 -0.1446235), wk = 0.0031250 k( 187) = ( 0.1506494 0.0000000 -0.1506494), wk = 0.0031250 k( 188) = ( 0.1566754 -0.0000000 -0.1566754), wk = 0.0031250 k( 189) = ( 0.1627014 -0.0000000 -0.1627014), wk = 0.0031250 k( 190) = ( 0.1687274 -0.0000000 -0.1687274), wk = 0.0031250 k( 191) = ( 0.1747534 0.0000000 -0.1747534), wk = 0.0031250 k( 192) = ( 0.1807793 -0.0000000 -0.1807793), wk = 0.0031250 k( 193) = ( 0.1868053 -0.0000000 -0.1868053), wk = 0.0031250 k( 194) = ( 0.1928313 0.0000000 -0.1928313), wk = 0.0031250 k( 195) = ( 0.1988573 -0.0000000 -0.1988573), wk = 0.0031250 k( 196) = ( 0.2048832 0.0000000 -0.2048833), wk = 0.0031250 k( 197) = ( 0.2109092 -0.0000000 -0.2109092), wk = 0.0031250 k( 198) = ( 0.2169352 -0.0000000 -0.2169352), wk = 0.0031250 k( 199) = ( 0.2229612 -0.0000000 -0.2229612), wk = 0.0031250 k( 200) = ( 0.2289872 -0.0000000 -0.2289872), wk = 0.0031250 k( 201) = ( 0.2350131 -0.0000000 -0.2350131), wk = 0.0031250 k( 202) = ( 0.2410391 -0.0000000 -0.2410391), wk = 0.0031250 k( 203) = ( 0.2470651 0.0000000 -0.2470651), wk = 0.0031250 k( 204) = ( 0.2530911 -0.0000000 -0.2530911), wk = 0.0031250 k( 205) = ( 0.2591171 -0.0000000 -0.2591171), wk = 0.0031250 k( 206) = ( 0.2651430 -0.0000000 -0.2651430), wk = 0.0031250 k( 207) = ( 0.2711690 -0.0000000 -0.2711690), wk = 0.0031250 k( 208) = ( 0.2771950 0.0000000 -0.2771950), wk = 0.0031250 k( 209) = ( 0.2832210 0.0000000 -0.2832210), wk = 0.0031250 k( 210) = ( 0.2892469 -0.0000000 -0.2892469), wk = 0.0031250 k( 211) = ( 0.2952729 -0.0000000 -0.2952729), wk = 0.0031250 k( 212) = ( 0.3012989 0.0000000 -0.3012989), wk = 0.0031250 k( 213) = ( 0.3073249 -0.0000000 -0.3073249), wk = 0.0031250 k( 214) = ( 0.3133509 -0.0000000 -0.3133509), wk = 0.0031250 k( 215) = ( 0.3193768 -0.0000000 -0.3193768), wk = 0.0031250 k( 216) = ( 0.3254028 -0.0000000 -0.3254028), wk = 0.0031250 k( 217) = ( 0.3314288 -0.0000000 -0.3314288), wk = 0.0031250 k( 218) = ( 0.3374548 -0.0000000 -0.3374548), wk = 0.0031250 k( 219) = ( 0.3434807 -0.0000000 -0.3434807), wk = 0.0031250 k( 220) = ( 0.6565193 0.3434807 -0.0000000), wk = 0.0031250 k( 221) = ( 0.6504993 0.3495007 -0.0000000), wk = 0.0031250 k( 222) = ( 0.6444793 0.3555207 -0.0000000), wk = 0.0031250 k( 223) = ( 0.6384593 0.3615407 -0.0000000), wk = 0.0031250 k( 224) = ( 0.6324394 0.3675606 -0.0000000), wk = 0.0031250 k( 225) = ( 0.6264194 0.3735806 -0.0000000), wk = 0.0031250 k( 226) = ( 0.6203994 0.3796006 -0.0000000), wk = 0.0031250 k( 227) = ( 0.6143795 0.3856205 -0.0000000), wk = 0.0031250 k( 228) = ( 0.6083595 0.3916405 -0.0000000), wk = 0.0031250 k( 229) = ( 0.6023395 0.3976605 -0.0000000), wk = 0.0031250 k( 230) = ( 0.5963196 0.4036805 -0.0000000), wk = 0.0031250 k( 231) = ( 0.5902996 0.4097004 0.0000000), wk = 0.0031250 k( 232) = ( 0.5842796 0.4157204 -0.0000000), wk = 0.0031250 k( 233) = ( 0.5782596 0.4217404 -0.0000000), wk = 0.0031250 k( 234) = ( 0.5722397 0.4277603 -0.0000000), wk = 0.0031250 k( 235) = ( 0.5662197 0.4337803 -0.0000000), wk = 0.0031250 k( 236) = ( 0.5601997 0.4398003 -0.0000000), wk = 0.0031250 k( 237) = ( 0.5541797 0.4458203 -0.0000000), wk = 0.0031250 k( 238) = ( 0.5481598 0.4518402 -0.0000000), wk = 0.0031250 k( 239) = ( 0.5421398 0.4578602 0.0000000), wk = 0.0031250 k( 240) = ( 0.5361198 0.4638802 -0.0000000), wk = 0.0031250 k( 241) = ( 0.5300999 0.4699001 -0.0000000), wk = 0.0031250 k( 242) = ( 0.5240799 0.4759201 -0.0000000), wk = 0.0031250 k( 243) = ( 0.5180599 0.4819401 -0.0000000), wk = 0.0031250 k( 244) = ( 0.5120399 0.4879601 0.0000000), wk = 0.0031250 k( 245) = ( 0.5060200 0.4939800 -0.0000000), wk = 0.0031250 k( 246) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031250 k( 247) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031250 k( 248) = ( 0.5173910 0.5173910 0.0207735), wk = 0.0031250 k( 249) = ( 0.5347821 0.5347821 0.0415470), wk = 0.0031250 k( 250) = ( 0.5521731 0.5521731 0.0623205), wk = 0.0031250 k( 251) = ( 0.5695641 0.5695641 0.0830940), wk = 0.0031250 k( 252) = ( 0.5869551 0.5869551 0.1038675), wk = 0.0031250 k( 253) = ( 0.6043462 0.6043462 0.1246410), wk = 0.0031250 k( 254) = ( 0.6217372 0.6217372 0.1454145), wk = 0.0031250 k( 255) = ( 0.6391282 0.6391282 0.1661880), wk = 0.0031250 k( 256) = ( 0.6565193 0.6565193 0.1869615), wk = 0.0031250 k( 257) = ( 0.6565193 0.6565193 0.1869615), wk = 0.0031250 k( 258) = ( 0.6530411 0.6530411 0.1939179), wk = 0.0031250 k( 259) = ( 0.6495629 0.6495629 0.2008743), wk = 0.0031250 k( 260) = ( 0.6460846 0.6460846 0.2078307), wk = 0.0031250 k( 261) = ( 0.6426064 0.6426064 0.2147871), wk = 0.0031250 k( 262) = ( 0.6391282 0.6391282 0.2217435), wk = 0.0031250 k( 263) = ( 0.6356500 0.6356500 0.2286999), wk = 0.0031250 k( 264) = ( 0.6321718 0.6321718 0.2356564), wk = 0.0031250 k( 265) = ( 0.6286936 0.6286936 0.2426128), wk = 0.0031250 k( 266) = ( 0.6252154 0.6252154 0.2495692), wk = 0.0031250 k( 267) = ( 0.6217372 0.6217372 0.2565256), wk = 0.0031250 k( 268) = ( 0.6182590 0.6182590 0.2634820), wk = 0.0031250 k( 269) = ( 0.6147808 0.6147808 0.2704384), wk = 0.0031250 k( 270) = ( 0.6113026 0.6113026 0.2773948), wk = 0.0031250 k( 271) = ( 0.6078244 0.6078244 0.2843512), wk = 0.0031250 k( 272) = ( 0.6043462 0.6043462 0.2913076), wk = 0.0031250 k( 273) = ( 0.6008680 0.6008680 0.2982641), wk = 0.0031250 k( 274) = ( 0.5973898 0.5973898 0.3052205), wk = 0.0031250 k( 275) = ( 0.5939116 0.5939116 0.3121769), wk = 0.0031250 k( 276) = ( 0.5904333 0.5904333 0.3191333), wk = 0.0031250 k( 277) = ( 0.5869551 0.5869551 0.3260897), wk = 0.0031250 k( 278) = ( 0.5834769 0.5834769 0.3330461), wk = 0.0031250 k( 279) = ( 0.5799987 0.5799987 0.3400025), wk = 0.0031250 k( 280) = ( 0.5765205 0.5765205 0.3469589), wk = 0.0031250 k( 281) = ( 0.5730423 0.5730423 0.3539154), wk = 0.0031250 k( 282) = ( 0.5695641 0.5695641 0.3608718), wk = 0.0031250 k( 283) = ( 0.5660859 0.5660859 0.3678282), wk = 0.0031250 k( 284) = ( 0.5626077 0.5626077 0.3747846), wk = 0.0031250 k( 285) = ( 0.5591295 0.5591295 0.3817410), wk = 0.0031250 k( 286) = ( 0.5556513 0.5556513 0.3886974), wk = 0.0031250 k( 287) = ( 0.5521731 0.5521731 0.3956538), wk = 0.0031250 k( 288) = ( 0.5486949 0.5486949 0.4026102), wk = 0.0031250 k( 289) = ( 0.5452167 0.5452167 0.4095667), wk = 0.0031250 k( 290) = ( 0.5417385 0.5417385 0.4165231), wk = 0.0031250 k( 291) = ( 0.5382603 0.5382603 0.4234795), wk = 0.0031250 k( 292) = ( 0.5347821 0.5347821 0.4304359), wk = 0.0031250 k( 293) = ( 0.5313039 0.5313039 0.4373923), wk = 0.0031250 k( 294) = ( 0.5278257 0.5278257 0.4443487), wk = 0.0031250 k( 295) = ( 0.5243474 0.5243474 0.4513051), wk = 0.0031250 k( 296) = ( 0.5208692 0.5208692 0.4582615), wk = 0.0031250 k( 297) = ( 0.5173910 0.5173910 0.4652179), wk = 0.0031250 k( 298) = ( 0.5139128 0.5139128 0.4721744), wk = 0.0031250 k( 299) = ( 0.5104346 0.5104346 0.4791308), wk = 0.0031250 k( 300) = ( 0.5069564 0.5069564 0.4860872), wk = 0.0031250 k( 301) = ( 0.5034782 0.5034782 0.4930436), wk = 0.0031250 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 303) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031250 k( 304) = ( 0.5184140 0.0202048 0.0202047), wk = 0.0031250 k( 305) = ( 0.5368281 0.0404095 0.0404095), wk = 0.0031250 k( 306) = ( 0.5552421 0.0606142 0.0606142), wk = 0.0031250 k( 307) = ( 0.5736561 0.0808190 0.0808190), wk = 0.0031250 k( 308) = ( 0.5920701 0.1010237 0.1010238), wk = 0.0031250 k( 309) = ( 0.6104842 0.1212285 0.1212285), wk = 0.0031250 k( 310) = ( 0.6288982 0.1414332 0.1414333), wk = 0.0031250 k( 311) = ( 0.6473123 0.1616380 0.1616380), wk = 0.0031250 k( 312) = ( 0.6657263 0.1818427 0.1818427), wk = 0.0031250 k( 313) = ( 0.6841403 0.2020475 0.2020475), wk = 0.0031250 k( 314) = ( 0.7025543 0.2222522 0.2222522), wk = 0.0031250 k( 315) = ( 0.7209684 0.2424570 0.2424570), wk = 0.0031250 k( 316) = ( 0.7393824 0.2626617 0.2626617), wk = 0.0031250 k( 317) = ( 0.7577964 0.2828665 0.2828665), wk = 0.0031250 k( 318) = ( 0.7762105 0.3030712 0.3030712), wk = 0.0031250 k( 319) = ( 0.7946245 0.3232760 0.3232760), wk = 0.0031250 k( 320) = ( 0.8130385 0.3434807 0.3434807), wk = 0.0031250 Dense grid: 77717 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 23615 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 176, 42) NL pseudopotentials 0.13 Mb ( 88, 96) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2160) G-vector shells 0.01 Mb ( 1717) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 176, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) The potential is recalculated from file : ./SrHgO2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.5 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.0 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.3 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.4 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.8 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.2 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.3 secs Computing kpt #: 16 total cpu time spent up to now is 17.0 secs Computing kpt #: 17 total cpu time spent up to now is 17.8 secs Computing kpt #: 18 total cpu time spent up to now is 18.5 secs Computing kpt #: 19 total cpu time spent up to now is 19.2 secs Computing kpt #: 20 total cpu time spent up to now is 19.8 secs Computing kpt #: 21 total cpu time spent up to now is 20.5 secs Computing kpt #: 22 total cpu time spent up to now is 21.2 secs Computing kpt #: 23 total cpu time spent up to now is 21.8 secs Computing kpt #: 24 total cpu time spent up to now is 22.5 secs Computing kpt #: 25 total cpu time spent up to now is 23.2 secs Computing kpt #: 26 total cpu time spent up to now is 23.9 secs Computing kpt #: 27 total cpu time spent up to now is 24.5 secs Computing kpt #: 28 total cpu time spent up to now is 25.2 secs Computing kpt #: 29 total cpu time spent up to now is 25.9 secs Computing kpt #: 30 total cpu time spent up to now is 26.6 secs Computing kpt #: 31 total cpu time spent up to now is 27.3 secs Computing kpt #: 32 total cpu time spent up to now is 27.9 secs Computing kpt #: 33 total cpu time spent up to now is 28.6 secs Computing kpt #: 34 total cpu time spent up to now is 29.3 secs Computing kpt #: 35 total cpu time spent up to now is 30.2 secs Computing kpt #: 36 total cpu time spent up to now is 30.9 secs Computing kpt #: 37 total cpu time spent up to now is 31.6 secs Computing kpt #: 38 total cpu time spent up to now is 32.3 secs Computing kpt #: 39 total cpu time spent up to now is 33.0 secs Computing kpt #: 40 total cpu time spent up to now is 33.7 secs Computing kpt #: 41 total cpu time spent up to now is 34.4 secs Computing kpt #: 42 total cpu time spent up to now is 35.0 secs Computing kpt #: 43 total cpu time spent up to now is 35.7 secs Computing kpt #: 44 total cpu time spent up to now is 36.3 secs Computing kpt #: 45 total cpu time spent up to now is 36.9 secs Computing kpt #: 46 total cpu time spent up to now is 37.5 secs Computing kpt #: 47 total cpu time spent up to now is 38.1 secs Computing kpt #: 48 total cpu time spent up to now is 38.7 secs Computing kpt #: 49 total cpu time spent up to now is 39.3 secs Computing kpt #: 50 total cpu time spent up to now is 39.9 secs Computing kpt #: 51 total cpu time spent up to now is 40.5 secs Computing kpt #: 52 total cpu time spent up to now is 41.1 secs Computing kpt #: 53 total cpu time spent up to now is 41.7 secs Computing kpt #: 54 total cpu time spent up to now is 42.3 secs Computing kpt #: 55 total cpu time spent up to now is 42.9 secs Computing kpt #: 56 total cpu time spent up to now is 43.5 secs Computing kpt #: 57 total cpu time spent up to now is 44.1 secs Computing kpt #: 58 total cpu time spent up to now is 44.7 secs Computing kpt #: 59 total cpu time spent up to now is 45.3 secs Computing kpt #: 60 total cpu time spent up to now is 45.9 secs Computing kpt #: 61 total cpu time spent up to now is 46.5 secs Computing kpt #: 62 total cpu time spent up to now is 47.1 secs Computing kpt #: 63 total cpu time spent up to now is 47.7 secs Computing kpt #: 64 total cpu time spent up to now is 48.5 secs Computing kpt #: 65 total cpu time spent up to now is 49.0 secs Computing kpt #: 66 total cpu time spent up to now is 49.6 secs Computing kpt #: 67 total cpu time spent up to now is 50.3 secs Computing kpt #: 68 total cpu time spent up to now is 50.9 secs Computing kpt #: 69 total cpu time spent up to now is 51.5 secs Computing kpt #: 70 total cpu time spent up to now is 52.1 secs Computing kpt #: 71 total cpu time spent up to now is 52.7 secs Computing kpt #: 72 total cpu time spent up to now is 53.3 secs Computing kpt #: 73 total cpu time spent up to now is 54.0 secs Computing kpt #: 74 total cpu time spent up to now is 54.7 secs Computing kpt #: 75 total cpu time spent up to now is 55.4 secs Computing kpt #: 76 total cpu time spent up to now is 56.1 secs Computing kpt #: 77 total cpu time spent up to now is 56.7 secs Computing kpt #: 78 total cpu time spent up to now is 57.4 secs Computing kpt #: 79 total cpu time spent up to now is 58.1 secs Computing kpt #: 80 total cpu time spent up to now is 58.8 secs Computing kpt #: 81 total cpu time spent up to now is 59.5 secs Computing kpt #: 82 total cpu time spent up to now is 60.2 secs Computing kpt #: 83 total cpu time spent up to now is 61.1 secs Computing kpt #: 84 total cpu time spent up to now is 62.2 secs Computing kpt #: 85 total cpu time spent up to now is 63.0 secs Computing kpt #: 86 total cpu time spent up to now is 63.8 secs Computing kpt #: 87 total cpu time spent up to now is 64.9 secs Computing kpt #: 88 total cpu time spent up to now is 65.8 secs Computing kpt #: 89 total cpu time spent up to now is 66.6 secs Computing kpt #: 90 total cpu time spent up to now is 67.4 secs Computing kpt #: 91 total cpu time spent up to now is 68.4 secs Computing kpt #: 92 total cpu time spent up to now is 69.2 secs Computing kpt #: 93 total cpu time spent up to now is 70.0 secs Computing kpt #: 94 total cpu time spent up to now is 70.8 secs Computing kpt #: 95 total cpu time spent up to now is 71.7 secs Computing kpt #: 96 total cpu time spent up to now is 72.6 secs Computing kpt #: 97 total cpu time spent up to now is 73.5 secs Computing kpt #: 98 total cpu time spent up to now is 74.2 secs Computing kpt #: 99 total cpu time spent up to now is 74.9 secs Computing kpt #: 100 total cpu time spent up to now is 75.5 secs Computing kpt #: 101 total cpu time spent up to now is 76.2 secs Computing kpt #: 102 total cpu time spent up to now is 77.0 secs Computing kpt #: 103 total cpu time spent up to now is 77.7 secs Computing kpt #: 104 total cpu time spent up to now is 78.5 secs Computing kpt #: 105 total cpu time spent up to now is 79.2 secs Computing kpt #: 106 total cpu time spent up to now is 79.9 secs Computing kpt #: 107 total cpu time spent up to now is 80.6 secs Computing kpt #: 108 total cpu time spent up to now is 81.5 secs Computing kpt #: 109 total cpu time spent up to now is 82.4 secs Computing kpt #: 110 total cpu time spent up to now is 83.1 secs Computing kpt #: 111 total cpu time spent up to now is 83.9 secs Computing kpt #: 112 total cpu time spent up to now is 84.6 secs Computing kpt #: 113 total cpu time spent up to now is 85.4 secs Computing kpt #: 114 total cpu time spent up to now is 86.1 secs Computing kpt #: 115 total cpu time spent up to now is 86.8 secs Computing kpt #: 116 total cpu time spent up to now is 87.5 secs Computing kpt #: 117 total cpu time spent up to now is 88.2 secs Computing kpt #: 118 total cpu time spent up to now is 88.9 secs Computing kpt #: 119 total cpu time spent up to now is 89.6 secs Computing kpt #: 120 total cpu time spent up to now is 90.3 secs Computing kpt #: 121 total cpu time spent up to now is 91.0 secs Computing kpt #: 122 total cpu time spent up to now is 91.7 secs Computing kpt #: 123 total cpu time spent up to now is 92.4 secs Computing kpt #: 124 total cpu time spent up to now is 93.0 secs Computing kpt #: 125 total cpu time spent up to now is 93.7 secs Computing kpt #: 126 total cpu time spent up to now is 94.5 secs Computing kpt #: 127 total cpu time spent up to now is 95.2 secs Computing kpt #: 128 total cpu time spent up to now is 96.0 secs Computing kpt #: 129 total cpu time spent up to now is 96.7 secs Computing kpt #: 130 total cpu time spent up to now is 97.4 secs Computing kpt #: 131 total cpu time spent up to now is 98.1 secs Computing kpt #: 132 total cpu time spent up to now is 98.9 secs Computing kpt #: 133 total cpu time spent up to now is 99.7 secs Computing kpt #: 134 total cpu time spent up to now is 100.6 secs Computing kpt #: 135 total cpu time spent up to now is 101.4 secs Computing kpt #: 136 total cpu time spent up to now is 102.2 secs Computing kpt #: 137 total cpu time spent up to now is 102.9 secs Computing kpt #: 138 total cpu time spent up to now is 103.8 secs Computing kpt #: 139 total cpu time spent up to now is 104.5 secs Computing kpt #: 140 total cpu time spent up to now is 105.3 secs Computing kpt #: 141 total cpu time spent up to now is 106.0 secs Computing kpt #: 142 total cpu time spent up to now is 106.8 secs Computing kpt #: 143 total cpu time spent up to now is 107.5 secs Computing kpt #: 144 total cpu time spent up to now is 108.3 secs Computing kpt #: 145 total cpu time spent up to now is 109.0 secs Computing kpt #: 146 total cpu time spent up to now is 109.7 secs Computing kpt #: 147 total cpu time spent up to now is 110.4 secs Computing kpt #: 148 total cpu time spent up to now is 111.2 secs Computing kpt #: 149 total cpu time spent up to now is 111.9 secs Computing kpt #: 150 total cpu time spent up to now is 112.6 secs Computing kpt #: 151 total cpu time spent up to now is 113.4 secs Computing kpt #: 152 total cpu time spent up to now is 114.2 secs Computing kpt #: 153 total cpu time spent up to now is 114.9 secs Computing kpt #: 154 total cpu time spent up to now is 115.8 secs Computing kpt #: 155 total cpu time spent up to now is 116.5 secs Computing kpt #: 156 total cpu time spent up to now is 117.4 secs Computing kpt #: 157 total cpu time spent up to now is 118.4 secs Computing kpt #: 158 total cpu time spent up to now is 119.5 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.9 secs Computing kpt #: 160 total cpu time spent up to now is 121.9 secs Computing kpt #: 161 total cpu time spent up to now is 122.9 secs Computing kpt #: 162 total cpu time spent up to now is 123.8 secs Computing kpt #: 163 total cpu time spent up to now is 124.6 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.1 secs Computing kpt #: 165 total cpu time spent up to now is 127.1 secs Computing kpt #: 166 total cpu time spent up to now is 127.9 secs Computing kpt #: 167 total cpu time spent up to now is 129.2 secs Computing kpt #: 168 total cpu time spent up to now is 130.2 secs Computing kpt #: 169 total cpu time spent up to now is 130.9 secs Computing kpt #: 170 total cpu time spent up to now is 131.6 secs Computing kpt #: 171 total cpu time spent up to now is 132.3 secs Computing kpt #: 172 total cpu time spent up to now is 133.0 secs Computing kpt #: 173 total cpu time spent up to now is 133.7 secs Computing kpt #: 174 total cpu time spent up to now is 134.4 secs Computing kpt #: 175 total cpu time spent up to now is 135.1 secs Computing kpt #: 176 total cpu time spent up to now is 135.8 secs Computing kpt #: 177 total cpu time spent up to now is 136.5 secs Computing kpt #: 178 total cpu time spent up to now is 137.1 secs Computing kpt #: 179 total cpu time spent up to now is 137.8 secs Computing kpt #: 180 total cpu time spent up to now is 138.5 secs Computing kpt #: 181 total cpu time spent up to now is 139.2 secs Computing kpt #: 182 total cpu time spent up to now is 139.8 secs Computing kpt #: 183 total cpu time spent up to now is 140.5 secs Computing kpt #: 184 total cpu time spent up to now is 141.3 secs Computing kpt #: 185 total cpu time spent up to now is 141.9 secs Computing kpt #: 186 total cpu time spent up to now is 142.6 secs Computing kpt #: 187 total cpu time spent up to now is 143.3 secs Computing kpt #: 188 total cpu time spent up to now is 144.0 secs Computing kpt #: 189 total cpu time spent up to now is 144.7 secs Computing kpt #: 190 total cpu time spent up to now is 145.3 secs Computing kpt #: 191 total cpu time spent up to now is 146.0 secs Computing kpt #: 192 total cpu time spent up to now is 146.7 secs Computing kpt #: 193 total cpu time spent up to now is 147.3 secs Computing kpt #: 194 total cpu time spent up to now is 147.9 secs Computing kpt #: 195 total cpu time spent up to now is 148.5 secs Computing kpt #: 196 total cpu time spent up to now is 149.1 secs Computing kpt #: 197 total cpu time spent up to now is 149.8 secs Computing kpt #: 198 total cpu time spent up to now is 150.4 secs Computing kpt #: 199 total cpu time spent up to now is 151.1 secs Computing kpt #: 200 total cpu time spent up to now is 151.7 secs Computing kpt #: 201 total cpu time spent up to now is 152.4 secs Computing kpt #: 202 total cpu time spent up to now is 153.1 secs Computing kpt #: 203 total cpu time spent up to now is 153.8 secs Computing kpt #: 204 total cpu time spent up to now is 154.5 secs Computing kpt #: 205 total cpu time spent up to now is 155.2 secs Computing kpt #: 206 total cpu time spent up to now is 155.9 secs Computing kpt #: 207 total cpu time spent up to now is 156.8 secs Computing kpt #: 208 total cpu time spent up to now is 157.5 secs Computing kpt #: 209 total cpu time spent up to now is 158.2 secs Computing kpt #: 210 total cpu time spent up to now is 159.0 secs Computing kpt #: 211 total cpu time spent up to now is 159.7 secs Computing kpt #: 212 total cpu time spent up to now is 160.5 secs Computing kpt #: 213 total cpu time spent up to now is 161.2 secs Computing kpt #: 214 total cpu time spent up to now is 162.0 secs Computing kpt #: 215 total cpu time spent up to now is 162.8 secs Computing kpt #: 216 total cpu time spent up to now is 163.6 secs Computing kpt #: 217 total cpu time spent up to now is 164.5 secs Computing kpt #: 218 total cpu time spent up to now is 165.4 secs Computing kpt #: 219 total cpu time spent up to now is 166.3 secs Computing kpt #: 220 total cpu time spent up to now is 167.1 secs Computing kpt #: 221 total cpu time spent up to now is 168.0 secs Computing kpt #: 222 total cpu time spent up to now is 168.9 secs Computing kpt #: 223 total cpu time spent up to now is 169.9 secs Computing kpt #: 224 total cpu time spent up to now is 170.7 secs Computing kpt #: 225 total cpu time spent up to now is 171.5 secs Computing kpt #: 226 total cpu time spent up to now is 172.3 secs Computing kpt #: 227 total cpu time spent up to now is 173.2 secs Computing kpt #: 228 total cpu time spent up to now is 173.9 secs Computing kpt #: 229 total cpu time spent up to now is 174.7 secs Computing kpt #: 230 total cpu time spent up to now is 175.6 secs Computing kpt #: 231 total cpu time spent up to now is 176.3 secs Computing kpt #: 232 total cpu time spent up to now is 177.1 secs Computing kpt #: 233 total cpu time spent up to now is 177.8 secs Computing kpt #: 234 total cpu time spent up to now is 178.4 secs Computing kpt #: 235 total cpu time spent up to now is 179.2 secs Computing kpt #: 236 total cpu time spent up to now is 179.8 secs Computing kpt #: 237 total cpu time spent up to now is 180.5 secs Computing kpt #: 238 total cpu time spent up to now is 181.1 secs Computing kpt #: 239 total cpu time spent up to now is 181.8 secs Computing kpt #: 240 total cpu time spent up to now is 182.5 secs Computing kpt #: 241 total cpu time spent up to now is 183.2 secs Computing kpt #: 242 total cpu time spent up to now is 183.9 secs Computing kpt #: 243 total cpu time spent up to now is 184.6 secs Computing kpt #: 244 total cpu time spent up to now is 185.2 secs Computing kpt #: 245 total cpu time spent up to now is 186.1 secs Computing kpt #: 246 total cpu time spent up to now is 186.8 secs Computing kpt #: 247 total cpu time spent up to now is 187.5 secs Computing kpt #: 248 total cpu time spent up to now is 188.3 secs Computing kpt #: 249 total cpu time spent up to now is 189.0 secs Computing kpt #: 250 total cpu time spent up to now is 189.9 secs Computing kpt #: 251 total cpu time spent up to now is 190.8 secs Computing kpt #: 252 total cpu time spent up to now is 191.6 secs Computing kpt #: 253 total cpu time spent up to now is 192.5 secs Computing kpt #: 254 total cpu time spent up to now is 193.4 secs Computing kpt #: 255 total cpu time spent up to now is 194.2 secs Computing kpt #: 256 total cpu time spent up to now is 195.1 secs Computing kpt #: 257 total cpu time spent up to now is 196.0 secs Computing kpt #: 258 total cpu time spent up to now is 196.9 secs Computing kpt #: 259 total cpu time spent up to now is 197.8 secs Computing kpt #: 260 total cpu time spent up to now is 198.6 secs Computing kpt #: 261 total cpu time spent up to now is 199.4 secs Computing kpt #: 262 total cpu time spent up to now is 200.2 secs Computing kpt #: 263 total cpu time spent up to now is 201.0 secs Computing kpt #: 264 total cpu time spent up to now is 201.7 secs Computing kpt #: 265 total cpu time spent up to now is 202.5 secs Computing kpt #: 266 total cpu time spent up to now is 203.2 secs Computing kpt #: 267 total cpu time spent up to now is 203.9 secs Computing kpt #: 268 total cpu time spent up to now is 204.6 secs Computing kpt #: 269 total cpu time spent up to now is 205.3 secs Computing kpt #: 270 total cpu time spent up to now is 205.9 secs Computing kpt #: 271 total cpu time spent up to now is 206.5 secs Computing kpt #: 272 total cpu time spent up to now is 207.2 secs Computing kpt #: 273 total cpu time spent up to now is 207.8 secs Computing kpt #: 274 total cpu time spent up to now is 208.5 secs Computing kpt #: 275 total cpu time spent up to now is 209.1 secs Computing kpt #: 276 total cpu time spent up to now is 209.7 secs Computing kpt #: 277 total cpu time spent up to now is 210.4 secs Computing kpt #: 278 total cpu time spent up to now is 211.0 secs Computing kpt #: 279 total cpu time spent up to now is 211.7 secs Computing kpt #: 280 total cpu time spent up to now is 212.3 secs Computing kpt #: 281 total cpu time spent up to now is 213.0 secs Computing kpt #: 282 total cpu time spent up to now is 213.7 secs Computing kpt #: 283 total cpu time spent up to now is 214.4 secs Computing kpt #: 284 total cpu time spent up to now is 215.1 secs Computing kpt #: 285 total cpu time spent up to now is 215.7 secs Computing kpt #: 286 total cpu time spent up to now is 216.4 secs Computing kpt #: 287 total cpu time spent up to now is 217.1 secs Computing kpt #: 288 total cpu time spent up to now is 217.8 secs Computing kpt #: 289 total cpu time spent up to now is 221.4 secs Computing kpt #: 290 total cpu time spent up to now is 222.1 secs Computing kpt #: 291 total cpu time spent up to now is 222.8 secs Computing kpt #: 292 total cpu time spent up to now is 223.5 secs Computing kpt #: 293 total cpu time spent up to now is 224.2 secs Computing kpt #: 294 total cpu time spent up to now is 224.9 secs Computing kpt #: 295 total cpu time spent up to now is 225.7 secs Computing kpt #: 296 total cpu time spent up to now is 226.5 secs Computing kpt #: 297 total cpu time spent up to now is 227.2 secs Computing kpt #: 298 total cpu time spent up to now is 227.9 secs Computing kpt #: 299 total cpu time spent up to now is 228.8 secs Computing kpt #: 300 total cpu time spent up to now is 229.7 secs Computing kpt #: 301 total cpu time spent up to now is 230.5 secs Computing kpt #: 302 total cpu time spent up to now is 231.4 secs Computing kpt #: 303 total cpu time spent up to now is 232.0 secs Computing kpt #: 304 total cpu time spent up to now is 232.6 secs Computing kpt #: 305 total cpu time spent up to now is 233.2 secs Computing kpt #: 306 total cpu time spent up to now is 233.8 secs Computing kpt #: 307 total cpu time spent up to now is 234.4 secs Computing kpt #: 308 total cpu time spent up to now is 235.0 secs Computing kpt #: 309 total cpu time spent up to now is 235.7 secs Computing kpt #: 310 total cpu time spent up to now is 236.4 secs Computing kpt #: 311 total cpu time spent up to now is 237.2 secs Computing kpt #: 312 total cpu time spent up to now is 238.1 secs Computing kpt #: 313 total cpu time spent up to now is 238.9 secs Computing kpt #: 314 total cpu time spent up to now is 239.7 secs Computing kpt #: 315 total cpu time spent up to now is 240.6 secs Computing kpt #: 316 total cpu time spent up to now is 241.5 secs Computing kpt #: 317 total cpu time spent up to now is 242.4 secs Computing kpt #: 318 total cpu time spent up to now is 243.3 secs Computing kpt #: 319 total cpu time spent up to now is 244.2 secs Computing kpt #: 320 total cpu time spent up to now is 245.0 secs ethr = 2.94E-08, avg # of iterations = 31.8 total cpu time spent up to now is 245.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2937 PWs) bands (ev): -25.8390 -25.8390 -10.5251 -10.5251 -10.4981 -10.4981 -8.3335 -8.3335 -7.3483 -7.3483 -7.0632 -7.0632 -1.3440 -1.3440 -0.9949 -0.9949 0.1474 0.1474 0.6826 0.6826 0.8559 0.8559 1.2513 1.2513 4.0900 4.0900 4.7715 4.7715 4.8774 4.8774 5.2726 5.2726 5.3536 5.3536 7.9835 7.9835 12.3185 12.3185 13.6077 13.6077 13.9953 13.9953 k = 0.0102-0.0156-0.0096 ( 2931 PWs) bands (ev): -25.8390 -25.8390 -10.5265 -10.5265 -10.4970 -10.4970 -8.3335 -8.3335 -7.3482 -7.3482 -7.0637 -7.0637 -1.3437 -1.3437 -0.9948 -0.9948 0.1475 0.1475 0.6826 0.6826 0.8560 0.8560 1.2526 1.2526 4.0888 4.0888 4.7725 4.7725 4.8782 4.8782 5.2717 5.2717 5.3527 5.3527 7.9853 7.9853 12.3186 12.3186 13.6079 13.6079 13.9948 13.9951 k = 0.0204-0.0312-0.0191 ( 2931 PWs) bands (ev): -25.8388 -25.8388 -10.5304 -10.5304 -10.4940 -10.4940 -8.3333 -8.3333 -7.3480 -7.3480 -7.0651 -7.0651 -1.3431 -1.3431 -0.9947 -0.9947 0.1479 0.1479 0.6824 0.6824 0.8564 0.8564 1.2566 1.2566 4.0852 4.0852 4.7752 4.7752 4.8807 4.8807 5.2688 5.2688 5.3501 5.3501 7.9906 7.9906 12.3188 12.3188 13.6083 13.6083 13.9924 13.9925 k = 0.0306-0.0469-0.0287 ( 2931 PWs) bands (ev): -25.8385 -25.8385 -10.5361 -10.5361 -10.4900 -10.4900 -8.3330 -8.3330 -7.3476 -7.3476 -7.0675 -7.0675 -1.3420 -1.3420 -0.9944 -0.9944 0.1486 0.1486 0.6820 0.6820 0.8570 0.8570 1.2634 1.2634 4.0795 4.0795 4.7793 4.7793 4.8850 4.8850 5.2635 5.2635 5.3464 5.3464 7.9994 7.9994 12.3191 12.3191 13.6087 13.6087 13.9864 13.9864 k = 0.0408-0.0625-0.0382 ( 2935 PWs) bands (ev): -25.8380 -25.8380 -10.5430 -10.5430 -10.4853 -10.4853 -8.3326 -8.3326 -7.3471 -7.3471 -7.0708 -7.0708 -1.3405 -1.3405 -0.9940 -0.9940 0.1496 0.1496 0.6816 0.6816 0.8578 0.8578 1.2728 1.2728 4.0717 4.0717 4.7841 4.7841 4.8915 4.8915 5.2550 5.2550 5.3425 5.3425 8.0115 8.0115 12.3195 12.3195 13.6083 13.6083 13.9767 13.9767 k = 0.0510-0.0781-0.0478 ( 2939 PWs) bands (ev): -25.8375 -25.8375 -10.5510 -10.5510 -10.4801 -10.4801 -8.3321 -8.3321 -7.3466 -7.3466 -7.0750 -7.0750 -1.3385 -1.3385 -0.9935 -0.9935 0.1508 0.1508 0.6809 0.6809 0.8589 0.8589 1.2849 1.2849 4.0621 4.0621 4.7892 4.7892 4.9006 4.9006 5.2428 5.2428 5.3393 5.3393 8.0268 8.0268 12.3201 12.3201 13.6062 13.6062 13.9639 13.9639 k = 0.0612-0.0937-0.0573 ( 2937 PWs) bands (ev): -25.8368 -25.8368 -10.5600 -10.5600 -10.4744 -10.4744 -8.3316 -8.3316 -7.3459 -7.3459 -7.0800 -7.0800 -1.3362 -1.3362 -0.9929 -0.9929 0.1523 0.1523 0.6802 0.6802 0.8602 0.8602 1.2998 1.2998 4.0510 4.0510 4.7937 4.7937 4.9124 4.9124 5.2264 5.2264 5.3374 5.3374 8.0450 8.0450 12.3210 12.3210 13.6012 13.6012 13.9490 13.9490 k = 0.0714-0.1093-0.0669 ( 2934 PWs) bands (ev): -25.8360 -25.8360 -10.5700 -10.5700 -10.4683 -10.4683 -8.3311 -8.3311 -7.3451 -7.3451 -7.0858 -7.0858 -1.3334 -1.3334 -0.9921 -0.9921 0.1540 0.1540 0.6793 0.6793 0.8617 0.8617 1.3173 1.3173 4.0386 4.0386 4.7972 4.7972 4.9270 4.9270 5.2061 5.2061 5.3370 5.3370 8.0661 8.0661 12.3221 12.3221 13.5917 13.5917 13.9327 13.9327 k = 0.0816-0.1250-0.0764 ( 2932 PWs) bands (ev): -25.8351 -25.8351 -10.5810 -10.5810 -10.4616 -10.4616 -8.3306 -8.3306 -7.3443 -7.3443 -7.0924 -7.0924 -1.3303 -1.3303 -0.9913 -0.9913 0.1560 0.1560 0.6783 0.6783 0.8634 0.8634 1.3376 1.3376 4.0251 4.0251 4.7996 4.7996 4.9441 4.9441 5.1823 5.1823 5.3380 5.3380 8.0896 8.0896 12.3235 12.3235 13.5757 13.5757 13.9157 13.9157 k = 0.0918-0.1406-0.0860 ( 2926 PWs) bands (ev): -25.8341 -25.8341 -10.5929 -10.5929 -10.4545 -10.4545 -8.3302 -8.3302 -7.3434 -7.3434 -7.0996 -7.0996 -1.3268 -1.3268 -0.9905 -0.9905 0.1583 0.1583 0.6771 0.6771 0.8653 0.8653 1.3606 1.3606 4.0109 4.0109 4.8008 4.8008 4.9630 4.9630 5.1558 5.1558 5.3404 5.3404 8.1155 8.1155 12.3252 12.3252 13.5515 13.5515 13.8985 13.8985 k = 0.1020-0.1562-0.0955 ( 2927 PWs) bands (ev): -25.8329 -25.8329 -10.6057 -10.6057 -10.4468 -10.4468 -8.3299 -8.3299 -7.3427 -7.3427 -7.1073 -7.1073 -1.3230 -1.3230 -0.9895 -0.9895 0.1609 0.1609 0.6757 0.6757 0.8674 0.8674 1.3862 1.3862 3.9960 3.9960 4.8008 4.8008 4.9826 4.9826 5.1278 5.1278 5.3440 5.3440 8.1433 8.1433 12.3273 12.3273 13.5171 13.5171 13.8814 13.8814 k = 0.1122-0.1718-0.1051 ( 2929 PWs) bands (ev): -25.8317 -25.8317 -10.6193 -10.6193 -10.4386 -10.4386 -8.3298 -8.3298 -7.3420 -7.3420 -7.1156 -7.1156 -1.3188 -1.3188 -0.9885 -0.9885 0.1637 0.1637 0.6743 0.6743 0.8697 0.8697 1.4145 1.4145 3.9807 3.9807 4.7997 4.7997 5.0003 5.0003 5.1009 5.1009 5.3487 5.3487 8.1728 8.1728 12.3298 12.3298 13.4711 13.4711 13.8643 13.8643 k = 0.1224-0.1874-0.1146 ( 2927 PWs) bands (ev): -25.8304 -25.8304 -10.6338 -10.6338 -10.4298 -10.4298 -8.3299 -8.3299 -7.3414 -7.3414 -7.1241 -7.1241 -1.3143 -1.3143 -0.9874 -0.9874 0.1667 0.1667 0.6726 0.6726 0.8723 0.8723 1.4455 1.4455 3.9650 3.9650 4.7975 4.7975 5.0077 5.0077 5.0837 5.0837 5.3544 5.3544 8.2039 8.2039 12.3326 12.3326 13.4127 13.4127 13.8470 13.8470 k = 0.1327-0.2030-0.1242 ( 2927 PWs) bands (ev): -25.8289 -25.8289 -10.6490 -10.6490 -10.4204 -10.4204 -8.3303 -8.3303 -7.3412 -7.3412 -7.1329 -7.1329 -1.3096 -1.3096 -0.9863 -0.9863 0.1701 0.1701 0.6708 0.6708 0.8750 0.8750 1.4791 1.4791 3.9491 3.9491 4.7943 4.7943 4.9926 4.9926 5.0882 5.0882 5.3612 5.3612 8.2361 8.2361 12.3358 12.3358 13.3413 13.3413 13.8292 13.8292 k = 0.1429-0.2187-0.1337 ( 2929 PWs) bands (ev): -25.8274 -25.8274 -10.6649 -10.6649 -10.4106 -10.4106 -8.3310 -8.3310 -7.3414 -7.3414 -7.1416 -7.1416 -1.3046 -1.3046 -0.9851 -0.9851 0.1737 0.1737 0.6689 0.6689 0.8780 0.8780 1.5152 1.5152 3.9331 3.9331 4.7902 4.7902 4.9625 4.9625 5.1073 5.1073 5.3689 5.3689 8.2693 8.2693 12.3393 12.3393 13.2571 13.2571 13.8111 13.8111 k = 0.1531-0.2343-0.1433 ( 2930 PWs) bands (ev): -25.8258 -25.8258 -10.6815 -10.6815 -10.4001 -10.4001 -8.3321 -8.3321 -7.3420 -7.3420 -7.1502 -7.1502 -1.2994 -1.2994 -0.9839 -0.9839 0.1775 0.1775 0.6668 0.6668 0.8812 0.8812 1.5539 1.5539 3.9170 3.9170 4.7849 4.7849 4.9270 4.9270 5.1313 5.1313 5.3776 5.3776 8.3033 8.3033 12.3429 12.3429 13.1607 13.1607 13.7929 13.7929 k = 0.1633-0.2499-0.1528 ( 2931 PWs) bands (ev): -25.8242 -25.8242 -10.6985 -10.6985 -10.3892 -10.3892 -8.3335 -8.3335 -7.3434 -7.3434 -7.1584 -7.1584 -1.2940 -1.2940 -0.9827 -0.9827 0.1816 0.1816 0.6645 0.6645 0.8846 0.8846 1.5950 1.5950 3.9008 3.9008 4.7784 4.7784 4.8897 4.8897 5.1571 5.1571 5.3872 5.3872 8.3377 8.3377 12.3465 12.3465 13.0532 13.0532 13.7751 13.7751 k = 0.1735-0.2655-0.1624 ( 2936 PWs) bands (ev): -25.8225 -25.8225 -10.7161 -10.7161 -10.3778 -10.3778 -8.3354 -8.3354 -7.3457 -7.3457 -7.1660 -7.1660 -1.2885 -1.2885 -0.9815 -0.9815 0.1860 0.1860 0.6622 0.6622 0.8883 0.8883 1.6386 1.6386 3.8845 3.8845 4.7700 4.7700 4.8524 4.8524 5.1835 5.1835 5.3978 5.3978 8.3723 8.3723 12.3498 12.3498 12.9363 12.9363 13.7582 13.7582 k = 0.1837-0.2811-0.1719 ( 2937 PWs) bands (ev): -25.8207 -25.8207 -10.7340 -10.7340 -10.3658 -10.3658 -8.3378 -8.3378 -7.3490 -7.3490 -7.1727 -7.1727 -1.2828 -1.2828 -0.9803 -0.9803 0.1906 0.1906 0.6597 0.6597 0.8922 0.8922 1.6845 1.6845 3.8681 3.8681 4.7582 4.7582 4.8173 4.8173 5.2101 5.2101 5.4091 5.4091 8.4070 8.4070 12.3518 12.3518 12.8121 12.8121 13.7427 13.7427 k = 0.1939-0.2968-0.1815 ( 2937 PWs) bands (ev): -25.8188 -25.8188 -10.7522 -10.7522 -10.3534 -10.3534 -8.3406 -8.3406 -7.3535 -7.3535 -7.1783 -7.1783 -1.2769 -1.2769 -0.9791 -0.9791 0.1955 0.1955 0.6570 0.6570 0.8963 0.8963 1.7326 1.7326 3.8516 3.8516 4.7391 4.7391 4.7889 4.7889 5.2365 5.2365 5.4213 5.4213 8.4414 8.4414 12.3505 12.3505 12.6841 12.6841 13.7292 13.7292 k = 0.2041-0.3124-0.1910 ( 2940 PWs) bands (ev): -25.8169 -25.8169 -10.7707 -10.7707 -10.3406 -10.3406 -8.3440 -8.3440 -7.3593 -7.3593 -7.1828 -7.1828 -1.2711 -1.2711 -0.9779 -0.9779 0.2006 0.2006 0.6543 0.6543 0.9006 0.9006 1.7830 1.7830 3.8350 3.8350 4.7099 4.7099 4.7702 4.7702 5.2625 5.2625 5.4343 5.4343 8.4754 8.4754 12.3391 12.3391 12.5607 12.5607 13.7179 13.7179 k = 0.2143-0.3280-0.2006 ( 2940 PWs) bands (ev): -25.8150 -25.8150 -10.7893 -10.7893 -10.3274 -10.3274 -8.3479 -8.3479 -7.3664 -7.3664 -7.1860 -7.1860 -1.2651 -1.2651 -0.9768 -0.9768 0.2059 0.2059 0.6515 0.6515 0.9052 0.9052 1.8354 1.8354 3.8182 3.8182 4.6750 4.6750 4.7573 4.7573 5.2879 5.2879 5.4479 5.4479 8.5088 8.5088 12.2930 12.2930 12.4675 12.4675 13.7094 13.7094 k = 0.2245-0.3436-0.2101 ( 2947 PWs) bands (ev): -25.8131 -25.8131 -10.8081 -10.8081 -10.3138 -10.3138 -8.3523 -8.3523 -7.3747 -7.3747 -7.1879 -7.1879 -1.2592 -1.2592 -0.9757 -0.9757 0.2114 0.2114 0.6486 0.6486 0.9099 0.9099 1.8898 1.8898 3.8011 3.8011 4.6384 4.6384 4.7463 4.7463 5.3126 5.3126 5.4621 5.4621 8.5413 8.5413 12.1878 12.1878 12.4303 12.4303 13.7039 13.7039 k = 0.2347-0.3592-0.2197 ( 2948 PWs) bands (ev): -25.8111 -25.8111 -10.8268 -10.8268 -10.2999 -10.2999 -8.3573 -8.3573 -7.3842 -7.3842 -7.1887 -7.1887 -1.2532 -1.2532 -0.9746 -0.9746 0.2172 0.2172 0.6456 0.6456 0.9148 0.9148 1.9461 1.9461 3.7837 3.7837 4.6018 4.6018 4.7360 4.7360 5.3365 5.3365 5.4769 5.4769 8.5727 8.5727 12.0525 12.0525 12.4212 12.4212 13.7016 13.7016 k = 0.2449-0.3749-0.2292 ( 2952 PWs) bands (ev): -25.8091 -25.8091 -10.8454 -10.8454 -10.2856 -10.2856 -8.3628 -8.3628 -7.3946 -7.3946 -7.1883 -7.1883 -1.2473 -1.2473 -0.9735 -0.9735 0.2231 0.2231 0.6426 0.6426 0.9199 0.9199 2.0041 2.0041 3.7660 3.7660 4.5659 4.5659 4.7259 4.7259 5.3594 5.3594 5.4921 5.4921 8.6027 8.6027 11.9080 11.9080 12.4200 12.4200 13.7027 13.7027 k = 0.2551-0.3905-0.2388 ( 2950 PWs) bands (ev): -25.8071 -25.8071 -10.8640 -10.8640 -10.2712 -10.2712 -8.3689 -8.3689 -7.4058 -7.4058 -7.1871 -7.1871 -1.2414 -1.2414 -0.9725 -0.9725 0.2292 0.2292 0.6395 0.6395 0.9251 0.9251 2.0638 2.0638 3.7478 3.7478 4.5311 4.5311 4.7158 4.7158 5.3814 5.3814 5.5077 5.5077 8.6311 8.6311 11.7609 11.7609 12.4213 12.4213 13.7074 13.7074 k = 0.2653-0.4061-0.2483 ( 2953 PWs) bands (ev): -25.8051 -25.8051 -10.8823 -10.8823 -10.2565 -10.2565 -8.3754 -8.3754 -7.4177 -7.4177 -7.1850 -7.1850 -1.2356 -1.2356 -0.9716 -0.9716 0.2354 0.2354 0.6364 0.6364 0.9305 0.9305 2.1250 2.1250 3.7293 3.7293 4.4976 4.4976 4.7057 4.7057 5.4024 5.4024 5.5235 5.5235 8.6577 8.6577 11.6138 11.6138 12.4233 12.4233 13.7157 13.7157 k = 0.2755-0.4217-0.2579 ( 2953 PWs) bands (ev): -25.8031 -25.8031 -10.9003 -10.9003 -10.2417 -10.2417 -8.3825 -8.3825 -7.4299 -7.4299 -7.1824 -7.1824 -1.2299 -1.2299 -0.9707 -0.9707 0.2418 0.2418 0.6334 0.6334 0.9360 0.9360 2.1875 2.1875 3.7103 3.7103 4.4656 4.4656 4.6955 4.6955 5.4224 5.4224 5.5394 5.5394 8.6821 8.6821 11.4681 11.4681 12.4251 12.4251 13.7275 13.7275 k = 0.2857-0.4373-0.2674 ( 2953 PWs) bands (ev): -25.8012 -25.8012 -10.9181 -10.9181 -10.2268 -10.2268 -8.3900 -8.3900 -7.4423 -7.4423 -7.1792 -7.1792 -1.2244 -1.2244 -0.9699 -0.9699 0.2483 0.2483 0.6303 0.6303 0.9415 0.9415 2.2511 2.2511 3.6908 3.6908 4.4352 4.4352 4.6854 4.6854 5.4413 5.4413 5.5554 5.5554 8.7040 8.7040 11.3252 11.3252 12.4265 12.4265 13.7426 13.7426 k = 0.2959-0.4530-0.2770 ( 2952 PWs) bands (ev): -25.7992 -25.7992 -10.9354 -10.9354 -10.2119 -10.2119 -8.3979 -8.3979 -7.4549 -7.4549 -7.1756 -7.1756 -1.2190 -1.2190 -0.9691 -0.9691 0.2549 0.2549 0.6272 0.6272 0.9471 0.9471 2.3157 2.3157 3.6710 3.6710 4.4064 4.4064 4.6753 4.6753 5.4592 5.4592 5.5713 5.5713 8.7231 8.7231 11.1860 11.1860 12.4272 12.4272 13.7605 13.7605 k = 0.3061-0.4686-0.2865 ( 2949 PWs) bands (ev): -25.7973 -25.7973 -10.9522 -10.9522 -10.1969 -10.1969 -8.4061 -8.4061 -7.4674 -7.4674 -7.1717 -7.1717 -1.2137 -1.2137 -0.9684 -0.9684 0.2615 0.2615 0.6242 0.6242 0.9526 0.9526 2.3811 2.3811 3.6508 3.6508 4.3793 4.3793 4.6654 4.6654 5.4761 5.4761 5.5871 5.5871 8.7391 8.7391 11.0514 11.0514 12.4271 12.4271 13.7806 13.7806 k = 0.3163-0.4842-0.2961 ( 2955 PWs) bands (ev): -25.7955 -25.7955 -10.9685 -10.9685 -10.1821 -10.1821 -8.4147 -8.4147 -7.4797 -7.4797 -7.1677 -7.1677 -1.2087 -1.2087 -0.9677 -0.9677 0.2681 0.2681 0.6213 0.6213 0.9582 0.9582 2.4470 2.4470 3.6304 3.6304 4.3538 4.3538 4.6556 4.6556 5.4919 5.4919 5.6025 5.6025 8.7515 8.7515 10.9224 10.9224 12.4262 12.4262 13.8017 13.8017 k = 0.3265-0.4998-0.3056 ( 2956 PWs) bands (ev): -25.7937 -25.7937 -10.9843 -10.9843 -10.1675 -10.1675 -8.4235 -8.4235 -7.4918 -7.4918 -7.1635 -7.1635 -1.2038 -1.2038 -0.9671 -0.9671 0.2747 0.2747 0.6184 0.6184 0.9637 0.9637 2.5133 2.5133 3.6098 3.6098 4.3299 4.3299 4.6460 4.6460 5.5068 5.5068 5.6176 5.6176 8.7600 8.7600 10.7997 10.7997 12.4244 12.4244 13.8223 13.8223 k = 0.3367-0.5154-0.3152 ( 2954 PWs) bands (ev): -25.7919 -25.7919 -10.9994 -10.9994 -10.1530 -10.1530 -8.4325 -8.4325 -7.5036 -7.5036 -7.1592 -7.1592 -1.1992 -1.1992 -0.9666 -0.9666 0.2812 0.2812 0.6156 0.6156 0.9691 0.9691 2.5796 2.5796 3.5892 3.5892 4.3074 4.3074 4.6367 4.6367 5.5206 5.5206 5.6322 5.6322 8.7642 8.7642 10.6844 10.6844 12.4219 12.4219 13.8402 13.8402 k = 0.3469-0.5310-0.3247 ( 2960 PWs) bands (ev): -25.7903 -25.7903 -11.0139 -11.0139 -10.1389 -10.1389 -8.4416 -8.4416 -7.5149 -7.5149 -7.1550 -7.1550 -1.1948 -1.1948 -0.9661 -0.9661 0.2876 0.2876 0.6129 0.6129 0.9745 0.9745 2.6456 2.6456 3.5686 3.5686 4.2863 4.2863 4.6277 4.6277 5.5335 5.5335 5.6463 5.6463 8.7638 8.7638 10.5769 10.5769 12.4186 12.4186 13.8529 13.8529 k = 0.3571-0.5467-0.3343 ( 2958 PWs) bands (ev): -25.7886 -25.7886 -11.0276 -11.0276 -10.1251 -10.1251 -8.4508 -8.4508 -7.5257 -7.5257 -7.1509 -7.1509 -1.1906 -1.1906 -0.9657 -0.9657 0.2939 0.2939 0.6103 0.6103 0.9796 0.9796 2.7111 2.7111 3.5484 3.5484 4.2665 4.2665 4.6190 4.6190 5.5455 5.5455 5.6598 5.6598 8.7587 8.7587 10.4782 10.4782 12.4147 12.4147 13.8586 13.8586 k = 0.3673-0.5623-0.3438 ( 2958 PWs) bands (ev): -25.7871 -25.7871 -11.0406 -11.0406 -10.1118 -10.1118 -8.4598 -8.4598 -7.5359 -7.5359 -7.1468 -7.1468 -1.1867 -1.1867 -0.9653 -0.9653 0.3000 0.3000 0.6079 0.6079 0.9846 0.9846 2.7757 2.7757 3.5286 3.5286 4.2477 4.2477 4.6107 4.6107 5.5565 5.5565 5.6726 5.6726 8.7486 8.7486 10.3886 10.3886 12.4104 12.4104 13.8570 13.8570 k = 0.3776-0.5779-0.3534 ( 2949 PWs) bands (ev): -25.7857 -25.7857 -11.0528 -11.0528 -10.0990 -10.0990 -8.4687 -8.4687 -7.5456 -7.5456 -7.1429 -7.1429 -1.1831 -1.1831 -0.9649 -0.9649 0.3058 0.3058 0.6056 0.6056 0.9894 0.9894 2.8390 2.8390 3.5094 3.5094 4.2299 4.2299 4.6029 4.6029 5.5666 5.5666 5.6847 5.6847 8.7339 8.7339 10.3086 10.3086 12.4057 12.4057 13.8489 13.8489 k = 0.3878-0.5935-0.3629 ( 2943 PWs) bands (ev): -25.7843 -25.7843 -11.0641 -11.0641 -10.0869 -10.0869 -8.4774 -8.4774 -7.5546 -7.5546 -7.1392 -7.1392 -1.1797 -1.1797 -0.9646 -0.9646 0.3114 0.3114 0.6034 0.6034 0.9939 0.9939 2.9007 2.9007 3.4909 3.4909 4.2130 4.2130 4.5956 4.5956 5.5759 5.5759 5.6960 5.6960 8.7147 8.7147 10.2382 10.2382 12.4008 12.4008 13.8363 13.8363 k = 0.3980-0.6091-0.3725 ( 2947 PWs) bands (ev): -25.7831 -25.7831 -11.0746 -11.0746 -10.0754 -10.0754 -8.4857 -8.4857 -7.5629 -7.5629 -7.1357 -7.1357 -1.1766 -1.1766 -0.9644 -0.9644 0.3167 0.3167 0.6014 0.6014 0.9981 0.9981 2.9603 2.9603 3.4733 3.4733 4.1969 4.1969 4.5887 4.5887 5.5842 5.5842 5.7065 5.7065 8.6917 8.6917 10.1773 10.1773 12.3958 12.3958 13.8210 13.8210 k = 0.4082-0.6248-0.3820 ( 2949 PWs) bands (ev): -25.7819 -25.7819 -11.0842 -11.0842 -10.0648 -10.0648 -8.4936 -8.4936 -7.5706 -7.5706 -7.1325 -7.1325 -1.1738 -1.1738 -0.9642 -0.9642 0.3216 0.3216 0.5995 0.5995 1.0020 1.0020 3.0173 3.0173 3.4567 3.4567 4.1815 4.1815 4.5825 4.5825 5.5917 5.5917 5.7162 5.7162 8.6659 8.6659 10.1253 10.1253 12.3908 12.3908 13.8044 13.8044 k = 0.4184-0.6404-0.3916 ( 2949 PWs) bands (ev): -25.7809 -25.7809 -11.0928 -11.0928 -10.0550 -10.0550 -8.5010 -8.5010 -7.5774 -7.5774 -7.1295 -7.1295 -1.1712 -1.1712 -0.9640 -0.9640 0.3261 0.3261 0.5979 0.5979 1.0056 1.0056 3.0713 3.0713 3.4411 3.4411 4.1669 4.1669 4.5767 4.5767 5.5984 5.5984 5.7249 5.7249 8.6382 8.6382 10.0818 10.0818 12.3860 12.3860 13.7877 13.7877 k = 0.4286-0.6560-0.4011 ( 2955 PWs) bands (ev): -25.7799 -25.7799 -11.1005 -11.1005 -10.0461 -10.0461 -8.5077 -8.5077 -7.5835 -7.5835 -7.1268 -7.1268 -1.1690 -1.1690 -0.9639 -0.9639 0.3302 0.3302 0.5964 0.5964 1.0089 1.0089 3.1217 3.1217 3.4267 3.4267 4.1530 4.1530 4.5716 4.5716 5.6042 5.6042 5.7327 5.7327 8.6098 8.6098 10.0461 10.0461 12.3815 12.3815 13.7717 13.7717 k = 0.4388-0.6716-0.4107 ( 2947 PWs) bands (ev): -25.7791 -25.7791 -11.1072 -11.1072 -10.0383 -10.0383 -8.5137 -8.5137 -7.5889 -7.5889 -7.1245 -7.1245 -1.1670 -1.1670 -0.9637 -0.9637 0.3338 0.3338 0.5951 0.5951 1.0117 1.0117 3.1680 3.1680 3.4135 3.4135 4.1401 4.1401 4.5672 4.5672 5.6092 5.6092 5.7396 5.7396 8.5821 8.5821 10.0171 10.0171 12.3773 12.3773 13.7569 13.7569 k = 0.4490-0.6872-0.4202 ( 2953 PWs) bands (ev): -25.7784 -25.7784 -11.1129 -11.1129 -10.0315 -10.0315 -8.5190 -8.5190 -7.5934 -7.5934 -7.1225 -7.1225 -1.1654 -1.1654 -0.9636 -0.9636 0.3369 0.3369 0.5939 0.5939 1.0142 1.0142 3.2098 3.2098 3.4013 3.4013 4.1284 4.1284 4.5634 4.5634 5.6135 5.6135 5.7454 5.7454 8.5564 8.5564 9.9942 9.9942 12.3737 12.3737 13.7438 13.7438 k = 0.4592-0.7029-0.4298 ( 2957 PWs) bands (ev): -25.7778 -25.7778 -11.1176 -11.1176 -10.0259 -10.0259 -8.5234 -8.5234 -7.5971 -7.5971 -7.1208 -7.1208 -1.1640 -1.1640 -0.9636 -0.9636 0.3395 0.3395 0.5930 0.5930 1.0162 1.0162 3.2465 3.2465 3.3899 3.3899 4.1181 4.1181 4.5602 4.5602 5.6169 5.6169 5.7502 5.7502 8.5336 8.5336 9.9766 9.9766 12.3705 12.3705 13.7328 13.7328 k = 0.4694-0.7185-0.4393 ( 2958 PWs) bands (ev): -25.7774 -25.7774 -11.1213 -11.1213 -10.0214 -10.0214 -8.5269 -8.5269 -7.6000 -7.6000 -7.1195 -7.1195 -1.1630 -1.1630 -0.9635 -0.9635 0.3415 0.3415 0.5923 0.5923 1.0178 1.0178 3.2780 3.2780 3.3791 3.3791 4.1095 4.1095 4.5577 4.5577 5.6196 5.6196 5.7540 5.7540 8.5148 8.5148 9.9636 9.9636 12.3681 12.3681 13.7240 13.7240 k = 0.4796-0.7341-0.4489 ( 2954 PWs) bands (ev): -25.7771 -25.7771 -11.1239 -11.1239 -10.0183 -10.0183 -8.5294 -8.5294 -7.6021 -7.6021 -7.1186 -7.1186 -1.1622 -1.1622 -0.9635 -0.9635 0.3430 0.3430 0.5918 0.5918 1.0189 1.0189 3.3042 3.3042 3.3682 3.3682 4.1031 4.1031 4.5560 4.5560 5.6215 5.6215 5.7567 5.7567 8.5008 8.5008 9.9547 9.9547 12.3663 12.3663 13.7176 13.7176 k = 0.4898-0.7497-0.4584 ( 2960 PWs) bands (ev): -25.7769 -25.7769 -11.1255 -11.1255 -10.0163 -10.0163 -8.5310 -8.5310 -7.6033 -7.6033 -7.1180 -7.1180 -1.1618 -1.1618 -0.9634 -0.9634 0.3439 0.3439 0.5915 0.5915 1.0196 1.0196 3.3253 3.3253 3.3564 3.3564 4.0991 4.0991 4.5549 4.5549 5.6226 5.6226 5.7583 5.7583 8.4921 8.4921 9.9495 9.9495 12.3651 12.3651 13.7137 13.7137 k = 0.5000-0.7653-0.4680 ( 2960 PWs) bands (ev): -25.7768 -25.7768 -11.1260 -11.1260 -10.0157 -10.0157 -8.5315 -8.5315 -7.6038 -7.6038 -7.1178 -7.1178 -1.1616 -1.1616 -0.9634 -0.9634 0.3442 0.3442 0.5914 0.5914 1.0199 1.0199 3.3402 3.3402 3.3446 3.3446 4.0977 4.0977 4.5546 4.5546 5.6230 5.6230 5.7588 5.7588 8.4892 8.4892 9.9478 9.9478 12.3648 12.3648 13.7124 13.7124 k = 0.5000-0.7653-0.4680 ( 2960 PWs) bands (ev): -25.7768 -25.7768 -11.1260 -11.1260 -10.0157 -10.0157 -8.5315 -8.5315 -7.6038 -7.6038 -7.1178 -7.1178 -1.1616 -1.1616 -0.9634 -0.9634 0.3442 0.3442 0.5914 0.5914 1.0199 1.0199 3.3402 3.3402 3.3446 3.3446 4.0977 4.0977 4.5546 4.5546 5.6230 5.6230 5.7588 5.7588 8.4892 8.4892 9.9478 9.9478 12.3648 12.3648 13.7124 13.7124 k = 0.5000-0.7543-0.4860 ( 2960 PWs) bands (ev): -25.7768 -25.7768 -11.1255 -11.1255 -10.0168 -10.0168 -8.5310 -8.5310 -7.6032 -7.6032 -7.1182 -7.1182 -1.1617 -1.1617 -0.9634 -0.9634 0.3440 0.3440 0.5914 0.5914 1.0196 1.0196 3.3414 3.3414 3.3449 3.3449 4.0979 4.0979 4.5547 4.5547 5.6232 5.6232 5.7578 5.7578 8.4909 8.4909 9.9475 9.9475 12.3667 12.3667 13.6975 13.6975 k = 0.5000-0.7433-0.5041 ( 2956 PWs) bands (ev): -25.7767 -25.7767 -11.1242 -11.1242 -10.0203 -10.0203 -8.5296 -8.5296 -7.6017 -7.6017 -7.1195 -7.1195 -1.1618 -1.1618 -0.9632 -0.9632 0.3436 0.3436 0.5915 0.5915 1.0190 1.0190 3.3443 3.3443 3.3465 3.3465 4.0986 4.0986 4.5550 4.5550 5.6235 5.6235 5.7546 5.7546 8.4958 8.4958 9.9468 9.9468 12.3726 12.3726 13.6539 13.6539 k = 0.5000-0.7322-0.5221 ( 2952 PWs) bands (ev): -25.7766 -25.7766 -11.1219 -11.1219 -10.0260 -10.0260 -8.5274 -8.5274 -7.5991 -7.5991 -7.1215 -7.1215 -1.1621 -1.1621 -0.9628 -0.9628 0.3428 0.3428 0.5918 0.5918 1.0178 1.0178 3.3461 3.3461 3.3521 3.3521 4.0996 4.0996 4.5556 4.5556 5.6240 5.6240 5.7494 5.7494 8.5040 8.5040 9.9456 9.9456 12.3824 12.3824 13.5840 13.5840 k = 0.5000-0.7212-0.5401 ( 2954 PWs) bands (ev): -25.7765 -25.7765 -11.1188 -11.1188 -10.0339 -10.0339 -8.5243 -8.5243 -7.5955 -7.5955 -7.1244 -7.1244 -1.1626 -1.1626 -0.9624 -0.9624 0.3417 0.3417 0.5920 0.5920 1.0163 1.0163 3.3478 3.3478 3.3608 3.3608 4.1011 4.1011 4.5563 4.5563 5.6245 5.6245 5.7424 5.7424 8.5154 8.5154 9.9439 9.9439 12.3959 12.3959 13.4916 13.4916 k = 0.5000-0.7102-0.5582 ( 2952 PWs) bands (ev): -25.7763 -25.7763 -11.1148 -11.1148 -10.0439 -10.0439 -8.5205 -8.5205 -7.5909 -7.5909 -7.1280 -7.1280 -1.1631 -1.1631 -0.9618 -0.9618 0.3403 0.3403 0.5924 0.5924 1.0144 1.0144 3.3499 3.3499 3.3720 3.3720 4.1030 4.1030 4.5572 4.5572 5.6247 5.6247 5.7339 5.7339 8.5301 8.5301 9.9420 9.9420 12.4133 12.4133 13.3807 13.3807 k = 0.5000-0.6992-0.5762 ( 2958 PWs) bands (ev): -25.7760 -25.7760 -11.1099 -11.1099 -10.0559 -10.0559 -8.5160 -8.5160 -7.5855 -7.5855 -7.1324 -7.1324 -1.1638 -1.1638 -0.9611 -0.9611 0.3387 0.3387 0.5928 0.5928 1.0121 1.0121 3.3524 3.3524 3.3856 3.3856 4.1053 4.1053 4.5583 4.5583 5.6242 5.6242 5.7242 5.7242 8.5480 8.5480 9.9396 9.9396 12.4342 12.4342 13.2550 13.2550 k = 0.5000-0.6881-0.5942 ( 2952 PWs) bands (ev): -25.7758 -25.7758 -11.1042 -11.1042 -10.0698 -10.0698 -8.5109 -8.5109 -7.5791 -7.5791 -7.1374 -7.1374 -1.1646 -1.1646 -0.9603 -0.9603 0.3367 0.3367 0.5933 0.5933 1.0095 1.0095 3.3554 3.3554 3.4015 3.4015 4.1079 4.1079 4.5595 4.5595 5.6224 5.6224 5.7142 5.7142 8.5690 8.5690 9.9371 9.9371 12.4586 12.4586 13.1182 13.1182 k = 0.5000-0.6771-0.6123 ( 2954 PWs) bands (ev): -25.7755 -25.7755 -11.0976 -11.0976 -10.0854 -10.0854 -8.5054 -8.5054 -7.5719 -7.5719 -7.1430 -7.1430 -1.1655 -1.1655 -0.9595 -0.9595 0.3345 0.3345 0.5939 0.5939 1.0067 1.0067 3.3589 3.3589 3.4196 3.4196 4.1108 4.1108 4.5608 4.5608 5.6182 5.6182 5.7049 5.7049 8.5933 8.5933 9.9344 9.9344 12.4862 12.4862 12.9729 12.9729 k = 0.5000-0.6661-0.6303 ( 2952 PWs) bands (ev): -25.7751 -25.7751 -11.0902 -11.0902 -10.1025 -10.1025 -8.4995 -8.4995 -7.5640 -7.5640 -7.1492 -7.1492 -1.1666 -1.1666 -0.9585 -0.9585 0.3320 0.3320 0.5944 0.5944 1.0036 1.0036 3.3629 3.3629 3.4397 3.4397 4.1141 4.1141 4.5622 4.5622 5.6107 5.6107 5.6972 5.6972 8.6206 8.6206 9.9317 9.9317 12.5169 12.5169 12.8217 12.8217 k = 0.5000-0.6551-0.6483 ( 2956 PWs) bands (ev): -25.7748 -25.7748 -11.0820 -11.0820 -10.1210 -10.1210 -8.4933 -8.4933 -7.5554 -7.5554 -7.1558 -7.1558 -1.1678 -1.1678 -0.9575 -0.9575 0.3293 0.3293 0.5950 0.5950 1.0003 1.0003 3.3674 3.3674 3.4618 3.4618 4.1176 4.1176 4.5636 4.5636 5.5990 5.5990 5.6921 5.6921 8.6511 8.6511 9.9291 9.9291 12.5490 12.5490 12.6677 12.6677 k = 0.5000-0.6440-0.6664 ( 2954 PWs) bands (ev): -25.7744 -25.7744 -11.0730 -11.0730 -10.1407 -10.1407 -8.4869 -8.4869 -7.5463 -7.5463 -7.1628 -7.1628 -1.1691 -1.1691 -0.9565 -0.9565 0.3264 0.3264 0.5956 0.5956 0.9969 0.9969 3.3724 3.3724 3.4858 3.4858 4.1214 4.1214 4.5650 4.5650 5.5834 5.5834 5.6895 5.6895 8.6845 8.6845 9.9268 9.9268 12.5011 12.5011 12.5937 12.5937 k = 0.5000-0.6330-0.6844 ( 2958 PWs) bands (ev): -25.7740 -25.7740 -11.0634 -11.0634 -10.1615 -10.1615 -8.4805 -8.4805 -7.5367 -7.5367 -7.1701 -7.1701 -1.1705 -1.1705 -0.9554 -0.9554 0.3233 0.3233 0.5961 0.5961 0.9935 0.9935 3.3779 3.3779 3.5114 3.5114 4.1255 4.1255 4.5664 4.5664 5.5644 5.5644 5.6889 5.6889 8.7209 8.7209 9.9249 9.9249 12.3436 12.3436 12.6304 12.6304 k = 0.5000-0.6220-0.7024 ( 2960 PWs) bands (ev): -25.7736 -25.7736 -11.0530 -11.0530 -10.1832 -10.1832 -8.4741 -8.4741 -7.5268 -7.5268 -7.1775 -7.1775 -1.1721 -1.1721 -0.9544 -0.9544 0.3200 0.3200 0.5966 0.5966 0.9901 0.9901 3.3838 3.3838 3.5386 3.5386 4.1298 4.1298 4.5677 4.5677 5.5427 5.5427 5.6894 5.6894 8.7602 8.7602 9.9235 9.9235 12.1830 12.1830 12.6721 12.6721 k = 0.5000-0.6110-0.7205 ( 2960 PWs) bands (ev): -25.7731 -25.7731 -11.0419 -11.0419 -10.2056 -10.2056 -8.4678 -8.4678 -7.5168 -7.5168 -7.1849 -7.1849 -1.1738 -1.1738 -0.9533 -0.9533 0.3165 0.3165 0.5970 0.5970 0.9867 0.9867 3.3902 3.3902 3.5670 3.5670 4.1343 4.1343 4.5690 4.5690 5.5191 5.5191 5.6906 5.6906 8.8023 8.8023 9.9229 9.9229 12.0222 12.0222 12.7163 12.7163 k = 0.5000-0.5999-0.7385 ( 2956 PWs) bands (ev): -25.7727 -25.7727 -11.0302 -11.0302 -10.2286 -10.2286 -8.4618 -8.4618 -7.5068 -7.5068 -7.1920 -7.1920 -1.1756 -1.1756 -0.9523 -0.9523 0.3129 0.3129 0.5974 0.5974 0.9835 0.9835 3.3970 3.3970 3.5965 3.5965 4.1390 4.1390 4.5703 4.5703 5.4940 5.4940 5.6921 5.6921 8.8472 8.8472 9.9232 9.9232 11.8622 11.8622 12.7626 12.7626 k = 0.5000-0.5889-0.7565 ( 2954 PWs) bands (ev): -25.7723 -25.7723 -11.0179 -11.0179 -10.2520 -10.2520 -8.4559 -8.4559 -7.4970 -7.4970 -7.1989 -7.1989 -1.1774 -1.1774 -0.9513 -0.9513 0.3092 0.3092 0.5977 0.5977 0.9804 0.9804 3.4042 3.4042 3.6269 3.6269 4.1440 4.1440 4.5714 4.5714 5.4677 5.4677 5.6936 5.6936 8.8947 8.8947 9.9246 9.9246 11.7036 11.7036 12.8108 12.8108 k = 0.5000-0.5779-0.7746 ( 2950 PWs) bands (ev): -25.7718 -25.7718 -11.0050 -11.0050 -10.2756 -10.2756 -8.4504 -8.4504 -7.4876 -7.4876 -7.2051 -7.2051 -1.1794 -1.1794 -0.9504 -0.9504 0.3053 0.3053 0.5978 0.5978 0.9775 0.9775 3.4115 3.4115 3.6579 3.6579 4.1494 4.1494 4.5725 4.5725 5.4407 5.4407 5.6947 5.6947 8.9447 8.9447 9.9273 9.9273 11.5471 11.5471 12.8606 12.8606 k = 0.5000-0.5668-0.7926 ( 2954 PWs) bands (ev): -25.7714 -25.7714 -10.9917 -10.9917 -10.2993 -10.2993 -8.4453 -8.4453 -7.4788 -7.4788 -7.2106 -7.2106 -1.1815 -1.1815 -0.9496 -0.9496 0.3014 0.3014 0.5978 0.5978 0.9749 0.9749 3.4190 3.4190 3.6893 3.6893 4.1551 4.1551 4.5735 4.5735 5.4131 5.4131 5.6955 5.6955 8.9970 8.9970 9.9316 9.9316 11.3931 11.3931 12.9117 12.9117 k = 0.5000-0.5558-0.8106 ( 2950 PWs) bands (ev): -25.7710 -25.7710 -10.9779 -10.9779 -10.3231 -10.3231 -8.4406 -8.4406 -7.4709 -7.4709 -7.2150 -7.2150 -1.1837 -1.1837 -0.9489 -0.9489 0.2974 0.2974 0.5977 0.5977 0.9725 0.9725 3.4265 3.4265 3.7205 3.7205 4.1613 4.1613 4.5745 4.5745 5.3852 5.3852 5.6957 5.6957 9.0515 9.0515 9.9376 9.9376 11.2422 11.2422 12.9638 12.9638 k = 0.5000-0.5448-0.8286 ( 2954 PWs) bands (ev): -25.7706 -25.7706 -10.9638 -10.9638 -10.3466 -10.3466 -8.4364 -8.4364 -7.4640 -7.4640 -7.2182 -7.2182 -1.1859 -1.1859 -0.9482 -0.9482 0.2934 0.2934 0.5974 0.5974 0.9705 0.9705 3.4339 3.4339 3.7514 3.7514 4.1682 4.1682 4.5755 4.5755 5.3571 5.3571 5.6952 5.6952 9.1080 9.1080 9.9456 9.9456 11.0949 11.0949 13.0165 13.0165 k = 0.5000-0.5338-0.8467 ( 2958 PWs) bands (ev): -25.7703 -25.7703 -10.9492 -10.9492 -10.3699 -10.3699 -8.4327 -8.4327 -7.4585 -7.4585 -7.2200 -7.2200 -1.1881 -1.1881 -0.9477 -0.9477 0.2893 0.2893 0.5969 0.5969 0.9687 0.9687 3.4409 3.4409 3.7814 3.7814 4.1760 4.1760 4.5767 4.5767 5.3292 5.3292 5.6941 5.6941 9.1661 9.1661 9.9557 9.9557 10.9516 10.9516 13.0696 13.0696 k = 0.5000-0.5227-0.8647 ( 2962 PWs) bands (ev): -25.7700 -25.7700 -10.9345 -10.9345 -10.3927 -10.3927 -8.4294 -8.4294 -7.4544 -7.4544 -7.2201 -7.2201 -1.1904 -1.1904 -0.9474 -0.9474 0.2853 0.2853 0.5963 0.5963 0.9672 0.9672 3.4473 3.4473 3.8100 3.8100 4.1849 4.1849 4.5780 4.5780 5.3015 5.3015 5.6923 5.6923 9.2255 9.2255 9.9681 9.9681 10.8131 10.8131 13.1226 13.1226 k = 0.5000-0.5117-0.8827 ( 2964 PWs) bands (ev): -25.7697 -25.7697 -10.9195 -10.9195 -10.4151 -10.4151 -8.4266 -8.4266 -7.4517 -7.4517 -7.2187 -7.2187 -1.1928 -1.1928 -0.9471 -0.9471 0.2812 0.2812 0.5956 0.5956 0.9661 0.9661 3.4528 3.4528 3.8368 3.8368 4.1953 4.1953 4.5796 4.5796 5.2742 5.2742 5.6897 5.6897 9.2855 9.2855 9.9831 9.9831 10.6801 10.6801 13.1752 13.1752 k = 0.5000-0.5007-0.9008 ( 2962 PWs) bands (ev): -25.7694 -25.7694 -10.9044 -10.9044 -10.4368 -10.4368 -8.4244 -8.4244 -7.4505 -7.4505 -7.2157 -7.2157 -1.1951 -1.1951 -0.9470 -0.9470 0.2773 0.2773 0.5948 0.5948 0.9652 0.9652 3.4572 3.4572 3.8612 3.8612 4.2074 4.2074 4.5816 4.5816 5.2474 5.2474 5.6864 5.6864 9.3453 9.3453 10.0006 10.0006 10.5538 10.5538 13.2268 13.2268 k = 0.5000-0.4897-0.9188 ( 2960 PWs) bands (ev): -25.7692 -25.7692 -10.8892 -10.8892 -10.4578 -10.4578 -8.4226 -8.4226 -7.4505 -7.4505 -7.2112 -7.2112 -1.1974 -1.1974 -0.9470 -0.9470 0.2733 0.2733 0.5938 0.5938 0.9646 0.9646 3.4602 3.4602 3.8827 3.8827 4.2215 4.2215 4.5841 4.5841 5.2215 5.2215 5.6825 5.6825 9.4036 9.4036 10.0206 10.0206 10.4359 10.4359 13.2768 13.2768 k = 0.5000-0.4786-0.9368 ( 2966 PWs) bands (ev): -25.7691 -25.7691 -10.8741 -10.8741 -10.4779 -10.4779 -8.4214 -8.4214 -7.4517 -7.4517 -7.2055 -7.2055 -1.1997 -1.1997 -0.9471 -0.9471 0.2695 0.2695 0.5928 0.5928 0.9642 0.9642 3.4613 3.4613 3.9009 3.9009 4.2379 4.2379 4.5874 4.5874 5.1963 5.1963 5.6779 5.6779 9.4581 9.4581 10.0423 10.0423 10.3296 10.3296 13.3245 13.3245 k = 0.5000-0.4676-0.9549 ( 2966 PWs) bands (ev): -25.7690 -25.7690 -10.8591 -10.8591 -10.4971 -10.4971 -8.4205 -8.4205 -7.4537 -7.4537 -7.1988 -7.1988 -1.2020 -1.2020 -0.9474 -0.9474 0.2658 0.2658 0.5917 0.5917 0.9641 0.9641 3.4603 3.4603 3.9155 3.9155 4.2564 4.2564 4.5915 4.5915 5.1722 5.1722 5.6728 5.6728 9.5051 9.5051 10.0629 10.0629 10.2420 10.2420 13.3692 13.3692 k = 0.5000-0.4566-0.9729 ( 2964 PWs) bands (ev): -25.7690 -25.7690 -10.8442 -10.8442 -10.5153 -10.5153 -8.4201 -8.4201 -7.4564 -7.4564 -7.1913 -7.1913 -1.2042 -1.2042 -0.9477 -0.9477 0.2621 0.2621 0.5906 0.5906 0.9641 0.9641 3.4567 3.4567 3.9266 3.9266 4.2771 4.2771 4.5968 4.5968 5.1493 5.1493 5.6673 5.6673 9.5383 9.5383 10.0715 10.0715 10.1901 10.1901 13.4100 13.4100 k = 0.5000-0.4455-0.9909 ( 2964 PWs) bands (ev): -25.7691 -25.7691 -10.8297 -10.8297 -10.5323 -10.5323 -8.4201 -8.4201 -7.4595 -7.4595 -7.1833 -7.1833 -1.2064 -1.2064 -0.9482 -0.9482 0.2587 0.2587 0.5895 0.5895 0.9642 0.9642 3.4502 3.4502 3.9342 3.9342 4.2995 4.2995 4.6032 4.6032 5.1276 5.1276 5.6614 5.6614 9.5492 9.5492 10.0598 10.0598 10.1913 10.1913 13.4458 13.4458 k = 0.5000-0.4345-1.0090 ( 2962 PWs) bands (ev): -25.7692 -25.7692 -10.8155 -10.8155 -10.5482 -10.5482 -8.4203 -8.4203 -7.4627 -7.4627 -7.1750 -7.1750 -1.2085 -1.2085 -0.9488 -0.9488 0.2554 0.2554 0.5884 0.5884 0.9644 0.9644 3.4405 3.4405 3.9386 3.9386 4.3233 4.3233 4.6110 4.6110 5.1073 5.1073 5.6554 5.6554 9.5315 9.5315 10.0556 10.0556 10.2239 10.2239 13.4755 13.4755 k = 0.5000-0.4235-1.0270 ( 2960 PWs) bands (ev): -25.7694 -25.7694 -10.8019 -10.8019 -10.5627 -10.5627 -8.4209 -8.4209 -7.4660 -7.4660 -7.1666 -7.1666 -1.2105 -1.2105 -0.9495 -0.9495 0.2523 0.2523 0.5875 0.5875 0.9646 0.9646 3.4273 3.4273 3.9400 3.9400 4.3479 4.3479 4.6202 4.6202 5.0885 5.0885 5.6492 5.6492 9.4878 9.4878 10.0745 10.0745 10.2702 10.2702 13.4974 13.4975 k = 0.8130-0.3303-0.8450 ( 2960 PWs) bands (ev): -25.7694 -25.7694 -10.8019 -10.8019 -10.5627 -10.5627 -8.4209 -8.4209 -7.4660 -7.4660 -7.1666 -7.1666 -1.2105 -1.2105 -0.9495 -0.9495 0.2523 0.2523 0.5875 0.5875 0.9646 0.9646 3.4273 3.4273 3.9400 3.9400 4.3479 4.3479 4.6202 4.6202 5.0885 5.0885 5.6492 5.6492 9.4878 9.4878 10.0745 10.0745 10.2702 10.2702 13.4974 13.4975 k = 0.8070-0.3211-0.8270 ( 2964 PWs) bands (ev): -25.7697 -25.7697 -10.7889 -10.7889 -10.5758 -10.5758 -8.4216 -8.4216 -7.4692 -7.4692 -7.1582 -7.1582 -1.2124 -1.2124 -0.9502 -0.9502 0.2494 0.2494 0.5866 0.5866 0.9648 0.9648 3.4103 3.4103 3.9388 3.9388 4.3728 4.3728 4.6309 4.6309 5.0714 5.0714 5.6431 5.6431 9.4274 9.4274 10.1119 10.1119 10.3254 10.3254 13.5095 13.5095 k = 0.8010-0.3119-0.8090 ( 2962 PWs) bands (ev): -25.7701 -25.7701 -10.7766 -10.7766 -10.5875 -10.5875 -8.4225 -8.4225 -7.4721 -7.4721 -7.1501 -7.1501 -1.2142 -1.2142 -0.9511 -0.9511 0.2467 0.2467 0.5859 0.5859 0.9650 0.9650 3.3895 3.3895 3.9353 3.9353 4.3976 4.3976 4.6431 4.6431 5.0560 5.0560 5.6371 5.6371 9.3587 9.3587 10.1604 10.1604 10.3885 10.3885 13.5077 13.5077 k = 0.7950-0.3027-0.7910 ( 2956 PWs) bands (ev): -25.7706 -25.7706 -10.7652 -10.7652 -10.5976 -10.5976 -8.4234 -8.4234 -7.4747 -7.4747 -7.1423 -7.1423 -1.2159 -1.2159 -0.9519 -0.9519 0.2443 0.2443 0.5853 0.5853 0.9651 0.9651 3.3646 3.3646 3.9297 3.9297 4.4219 4.4219 4.6568 4.6568 5.0426 5.0426 5.6313 5.6313 9.2874 9.2874 10.2152 10.2152 10.4589 10.4589 13.4882 13.4882 k = 0.7890-0.2934-0.7730 ( 2956 PWs) bands (ev): -25.7711 -25.7711 -10.7548 -10.7548 -10.6060 -10.6060 -8.4244 -8.4244 -7.4768 -7.4768 -7.1350 -7.1350 -1.2174 -1.2174 -0.9529 -0.9529 0.2422 0.2422 0.5849 0.5849 0.9651 0.9651 3.3358 3.3358 3.9223 3.9223 4.4452 4.4452 4.6717 4.6717 5.0311 5.0311 5.6259 5.6259 9.2166 9.2166 10.2740 10.2740 10.5357 10.5357 13.4566 13.4566 k = 0.7829-0.2842-0.7550 ( 2954 PWs) bands (ev): -25.7717 -25.7717 -10.7454 -10.7454 -10.6127 -10.6127 -8.4252 -8.4252 -7.4785 -7.4785 -7.1281 -7.1281 -1.2188 -1.2188 -0.9539 -0.9539 0.2403 0.2403 0.5847 0.5847 0.9649 0.9649 3.3029 3.3029 3.9131 3.9131 4.4672 4.4672 4.6878 4.6878 5.0219 5.0219 5.6209 5.6209 9.1481 9.1481 10.3356 10.3356 10.6183 10.6183 13.4210 13.4210 k = 0.7769-0.2750-0.7370 ( 2954 PWs) bands (ev): -25.7725 -25.7725 -10.7372 -10.7372 -10.6177 -10.6177 -8.4259 -8.4259 -7.4797 -7.4797 -7.1218 -7.1218 -1.2200 -1.2200 -0.9549 -0.9549 0.2387 0.2387 0.5847 0.5847 0.9646 0.9646 3.2663 3.2663 3.9024 3.9024 4.4876 4.4876 4.7047 4.7047 5.0149 5.0149 5.6164 5.6164 9.0832 9.0832 10.3997 10.3997 10.7059 10.7059 13.3848 13.3848 k = 0.7709-0.2658-0.7190 ( 2954 PWs) bands (ev): -25.7733 -25.7733 -10.7302 -10.7302 -10.6209 -10.6209 -8.4264 -8.4264 -7.4804 -7.4804 -7.1162 -7.1162 -1.2211 -1.2211 -0.9559 -0.9559 0.2374 0.2374 0.5850 0.5850 0.9641 0.9641 3.2261 3.2261 3.8903 3.8903 4.5062 4.5062 4.7222 4.7222 5.0103 5.0103 5.6125 5.6125 9.0223 9.0223 10.4664 10.4664 10.7977 10.7977 13.3492 13.3492 k = 0.7649-0.2566-0.7010 ( 2948 PWs) bands (ev): -25.7742 -25.7742 -10.7242 -10.7242 -10.6225 -10.6225 -8.4265 -8.4265 -7.4805 -7.4805 -7.1113 -7.1113 -1.2221 -1.2221 -0.9569 -0.9569 0.2365 0.2365 0.5855 0.5855 0.9635 0.9635 3.1825 3.1825 3.8769 3.8769 4.5226 4.5226 4.7399 4.7399 5.0082 5.0082 5.6093 5.6093 8.9661 8.9661 10.5357 10.5357 10.8932 10.8932 13.3145 13.3145 k = 0.7589-0.2474-0.6830 ( 2954 PWs) bands (ev): -25.7752 -25.7752 -10.7192 -10.7192 -10.6226 -10.6226 -8.4264 -8.4264 -7.4801 -7.4801 -7.1070 -7.1070 -1.2228 -1.2228 -0.9579 -0.9579 0.2358 0.2358 0.5863 0.5863 0.9626 0.9626 3.1357 3.1357 3.8624 3.8624 4.5368 4.5368 4.7574 4.7574 5.0086 5.0086 5.6068 5.6068 8.9146 8.9146 10.6078 10.6078 10.9919 10.9919 13.2803 13.2803 k = 0.7528-0.2382-0.6650 ( 2958 PWs) bands (ev): -25.7763 -25.7763 -10.7149 -10.7149 -10.6217 -10.6217 -8.4259 -8.4259 -7.4791 -7.4791 -7.1036 -7.1036 -1.2234 -1.2234 -0.9589 -0.9589 0.2355 0.2355 0.5874 0.5874 0.9615 0.9615 3.0861 3.0861 3.8467 3.8467 4.5485 4.5485 4.7745 4.7745 5.0116 5.0116 5.6052 5.6052 8.8682 8.8682 10.6828 10.6828 11.0932 11.0932 13.2462 13.2462 k = 0.7468-0.2289-0.6470 ( 2954 PWs) bands (ev): -25.7775 -25.7775 -10.7110 -10.7110 -10.6199 -10.6199 -8.4249 -8.4249 -7.4776 -7.4776 -7.1009 -7.1009 -1.2239 -1.2239 -0.9599 -0.9599 0.2356 0.2356 0.5887 0.5887 0.9602 0.9602 3.0341 3.0341 3.8300 3.8300 4.5579 4.5579 4.7907 4.7907 5.0171 5.0171 5.6044 5.6044 8.8269 8.8269 10.7607 10.7607 11.1968 11.1968 13.2108 13.2108 k = 0.7408-0.2197-0.6290 ( 2958 PWs) bands (ev): -25.7788 -25.7788 -10.7073 -10.7073 -10.6175 -10.6175 -8.4235 -8.4235 -7.4755 -7.4755 -7.0990 -7.0990 -1.2242 -1.2242 -0.9609 -0.9609 0.2360 0.2360 0.5903 0.5903 0.9587 0.9587 2.9798 2.9798 3.8124 3.8124 4.5649 4.5649 4.8056 4.8056 5.0250 5.0250 5.6046 5.6046 8.7907 8.7907 10.8417 10.8417 11.3023 11.3023 13.1717 13.1717 k = 0.7348-0.2105-0.6110 ( 2954 PWs) bands (ev): -25.7801 -25.7801 -10.7036 -10.7036 -10.6147 -10.6147 -8.4216 -8.4216 -7.4728 -7.4728 -7.0979 -7.0979 -1.2243 -1.2243 -0.9619 -0.9619 0.2367 0.2367 0.5922 0.5922 0.9570 0.9570 2.9237 2.9237 3.7940 3.7940 4.5696 4.5696 4.8189 4.8189 5.0353 5.0353 5.6059 5.6059 8.7597 8.7597 10.9259 10.9259 11.4094 11.4094 13.1267 13.1267 k = 0.7288-0.2013-0.5930 ( 2956 PWs) bands (ev): -25.7816 -25.7816 -10.6998 -10.6998 -10.6115 -10.6115 -8.4192 -8.4192 -7.4696 -7.4696 -7.0976 -7.0976 -1.2242 -1.2242 -0.9628 -0.9628 0.2378 0.2378 0.5943 0.5943 0.9551 0.9551 2.8661 2.8661 3.7748 3.7748 4.5721 4.5721 4.8302 4.8302 5.0477 5.0477 5.6083 5.6083 8.7338 8.7338 11.0130 11.0130 11.5174 11.5174 13.0750 13.0750 k = 0.7227-0.1921-0.5750 ( 2954 PWs) bands (ev): -25.7831 -25.7831 -10.6960 -10.6960 -10.6081 -10.6081 -8.4164 -8.4164 -7.4659 -7.4659 -7.0981 -7.0981 -1.2240 -1.2240 -0.9637 -0.9637 0.2393 0.2393 0.5968 0.5968 0.9530 0.9530 2.8073 2.8073 3.7549 3.7549 4.5726 4.5726 4.8392 4.8392 5.0620 5.0620 5.6119 5.6119 8.7128 8.7128 11.1032 11.1032 11.6260 11.6260 13.0181 13.0181 k = 0.7167-0.1829-0.5570 ( 2954 PWs) bands (ev): -25.7847 -25.7847 -10.6922 -10.6922 -10.6043 -10.6043 -8.4131 -8.4131 -7.4617 -7.4617 -7.0993 -7.0993 -1.2236 -1.2236 -0.9646 -0.9646 0.2410 0.2410 0.5994 0.5994 0.9507 0.9507 2.7476 2.7476 3.7343 3.7343 4.5714 4.5714 4.8457 4.8457 5.0781 5.0781 5.6167 5.6167 8.6966 8.6966 11.1964 11.1964 11.7342 11.7342 12.9582 12.9582 k = 0.7107-0.1737-0.5390 ( 2950 PWs) bands (ev): -25.7864 -25.7864 -10.6887 -10.6887 -10.5999 -10.5999 -8.4095 -8.4095 -7.4570 -7.4570 -7.1013 -7.1013 -1.2231 -1.2231 -0.9654 -0.9654 0.2431 0.2431 0.6024 0.6024 0.9483 0.9483 2.6873 2.6873 3.7132 3.7132 4.5685 4.5685 4.8494 4.8494 5.0958 5.0958 5.6227 5.6227 8.6850 8.6850 11.2924 11.2924 11.8409 11.8409 12.8974 12.8974 k = 0.7047-0.1644-0.5210 ( 2948 PWs) bands (ev): -25.7881 -25.7881 -10.6858 -10.6858 -10.5946 -10.5946 -8.4054 -8.4054 -7.4519 -7.4519 -7.1041 -7.1041 -1.2225 -1.2225 -0.9662 -0.9662 0.2456 0.2456 0.6056 0.6056 0.9456 0.9456 2.6267 2.6267 3.6916 3.6916 4.5641 4.5641 4.8503 4.8503 5.1149 5.1149 5.6300 5.6300 8.6779 8.6779 11.3909 11.3909 11.9444 11.9444 12.8382 12.8382 k = 0.6987-0.1552-0.5030 ( 2956 PWs) bands (ev): -25.7899 -25.7899 -10.6837 -10.6837 -10.5882 -10.5882 -8.4010 -8.4010 -7.4463 -7.4463 -7.1075 -7.1075 -1.2218 -1.2218 -0.9669 -0.9669 0.2483 0.2483 0.6091 0.6091 0.9429 0.9429 2.5661 2.5661 3.6695 3.6695 4.5584 4.5584 4.8482 4.8482 5.1354 5.1354 5.6384 5.6384 8.6750 8.6750 11.4916 11.4916 12.0415 12.0415 12.7841 12.7841 k = 0.6926-0.1460-0.4850 ( 2954 PWs) bands (ev): -25.7918 -25.7918 -10.6826 -10.6826 -10.5803 -10.5803 -8.3964 -8.3964 -7.4402 -7.4402 -7.1116 -7.1116 -1.2209 -1.2209 -0.9677 -0.9677 0.2513 0.2513 0.6127 0.6127 0.9400 0.9400 2.5058 2.5058 3.6471 3.6471 4.5516 4.5516 4.8432 4.8432 5.1570 5.1570 5.6480 5.6480 8.6760 8.6760 11.5940 11.5940 12.1269 12.1269 12.7408 12.7408 k = 0.6866-0.1368-0.4670 ( 2954 PWs) bands (ev): -25.7937 -25.7937 -10.6828 -10.6828 -10.5709 -10.5709 -8.3916 -8.3916 -7.4338 -7.4338 -7.1162 -7.1162 -1.2199 -1.2199 -0.9684 -0.9684 0.2545 0.2545 0.6166 0.6166 0.9370 0.9370 2.4459 2.4459 3.6243 3.6243 4.5437 4.5437 4.8353 4.8353 5.1798 5.1798 5.6586 5.6586 8.6807 8.6807 11.6967 11.6967 12.1921 12.1921 12.7176 12.7176 k = 0.6806-0.1276-0.4490 ( 2954 PWs) bands (ev): -25.7956 -25.7956 -10.6841 -10.6841 -10.5600 -10.5600 -8.3866 -8.3866 -7.4270 -7.4270 -7.1215 -7.1215 -1.2189 -1.2189 -0.9691 -0.9691 0.2580 0.2580 0.6207 0.6207 0.9338 0.9338 2.3868 2.3868 3.6012 3.6012 4.5349 4.5349 4.8246 4.8246 5.2036 5.2036 5.6702 5.6702 8.6886 8.6886 11.7974 11.7974 12.2285 12.2285 12.7247 12.7247 k = 0.6746-0.1184-0.4310 ( 2950 PWs) bands (ev): -25.7976 -25.7976 -10.6867 -10.6867 -10.5474 -10.5474 -8.3816 -8.3816 -7.4198 -7.4198 -7.1272 -7.1272 -1.2177 -1.2177 -0.9698 -0.9698 0.2618 0.2618 0.6250 0.6250 0.9306 0.9306 2.3285 2.3285 3.5780 3.5780 4.5252 4.5252 4.8114 4.8114 5.2284 5.2284 5.6825 5.6825 8.6996 8.6996 11.8898 11.8898 12.2388 12.2388 12.7641 12.7641 k = 0.6686-0.1092-0.4130 ( 2950 PWs) bands (ev): -25.7996 -25.7996 -10.6903 -10.6903 -10.5335 -10.5335 -8.3767 -8.3767 -7.4123 -7.4123 -7.1334 -7.1334 -1.2165 -1.2165 -0.9705 -0.9705 0.2657 0.2657 0.6295 0.6295 0.9273 0.9273 2.2715 2.2715 3.5546 3.5546 4.5148 4.5148 4.7957 4.7957 5.2541 5.2541 5.6954 5.6954 8.7133 8.7133 11.9580 11.9580 12.2471 12.2471 12.8254 12.8254 k = 0.6625-0.0999-0.3950 ( 2952 PWs) bands (ev): -25.8017 -25.8017 -10.6949 -10.6949 -10.5182 -10.5182 -8.3719 -8.3719 -7.4046 -7.4046 -7.1399 -7.1399 -1.2153 -1.2153 -0.9712 -0.9712 0.2698 0.2698 0.6341 0.6341 0.9240 0.9240 2.2157 2.2157 3.5311 3.5311 4.5038 4.5038 4.7779 4.7779 5.2806 5.2806 5.7088 5.7088 8.7293 8.7293 11.9768 11.9768 12.2892 12.2892 12.8947 12.8947 k = 0.6565-0.0907-0.3770 ( 2950 PWs) bands (ev): -25.8037 -25.8037 -10.7004 -10.7004 -10.5018 -10.5018 -8.3673 -8.3673 -7.3966 -7.3966 -7.1467 -7.1467 -1.2140 -1.2140 -0.9719 -0.9719 0.2740 0.2740 0.6389 0.6389 0.9206 0.9206 2.1614 2.1614 3.5075 3.5075 4.4922 4.4922 4.7581 4.7581 5.3079 5.3079 5.7225 5.7225 8.7474 8.7474 11.9472 11.9472 12.3712 12.3712 12.9609 12.9609 k = 0.6505-0.0815-0.3590 ( 2954 PWs) bands (ev): -25.8058 -25.8058 -10.7065 -10.7065 -10.4843 -10.4843 -8.3629 -8.3629 -7.3886 -7.3886 -7.1537 -7.1537 -1.2127 -1.2127 -0.9725 -0.9725 0.2783 0.2783 0.6438 0.6438 0.9172 0.9172 2.1088 2.1088 3.4841 3.4841 4.4801 4.4801 4.7365 4.7365 5.3360 5.3360 5.7365 5.7365 8.7672 8.7672 11.8922 11.8922 12.4738 12.4738 13.0183 13.0183 k = 0.6445-0.0723-0.3410 ( 2950 PWs) bands (ev): -25.8079 -25.8079 -10.7131 -10.7131 -10.4660 -10.4660 -8.3590 -8.3590 -7.3804 -7.3804 -7.1608 -7.1608 -1.2114 -1.2114 -0.9732 -0.9732 0.2828 0.2828 0.6487 0.6487 0.9137 0.9137 2.0580 2.0580 3.4607 3.4607 4.4676 4.4676 4.7136 4.7136 5.3647 5.3647 5.7505 5.7505 8.7884 8.7884 11.8257 11.8257 12.5846 12.5846 13.0670 13.0670 k = 0.6385-0.0631-0.3230 ( 2958 PWs) bands (ev): -25.8099 -25.8099 -10.7202 -10.7202 -10.4468 -10.4468 -8.3554 -8.3554 -7.3723 -7.3723 -7.1679 -7.1679 -1.2101 -1.2101 -0.9740 -0.9740 0.2872 0.2872 0.6537 0.6537 0.9102 0.9102 2.0091 2.0091 3.4375 3.4375 4.4548 4.4548 4.6894 4.6894 5.3940 5.3940 5.7645 5.7645 8.8107 8.8107 11.7537 11.7537 12.6982 12.6982 13.1109 13.1109 k = 0.6324-0.0539-0.3050 ( 2956 PWs) bands (ev): -25.8120 -25.8120 -10.7277 -10.7277 -10.4270 -10.4270 -8.3523 -8.3523 -7.3643 -7.3643 -7.1748 -7.1748 -1.2088 -1.2088 -0.9747 -0.9747 0.2917 0.2917 0.6588 0.6588 0.9067 0.9067 1.9622 1.9622 3.4145 3.4145 4.4418 4.4418 4.6642 4.6642 5.4237 5.4237 5.7785 5.7785 8.8338 8.8338 11.6788 11.6788 12.8109 12.8109 13.1546 13.1546 k = 0.6264-0.0447-0.2870 ( 2958 PWs) bands (ev): -25.8140 -25.8140 -10.7354 -10.7354 -10.4067 -10.4067 -8.3497 -8.3497 -7.3566 -7.3566 -7.1813 -7.1813 -1.2075 -1.2075 -0.9754 -0.9754 0.2961 0.2961 0.6639 0.6639 0.9033 0.9033 1.9174 1.9174 3.3919 3.3919 4.4286 4.4286 4.6383 4.6383 5.4539 5.4539 5.7922 5.7922 8.8575 8.8575 11.6028 11.6028 12.9189 12.9189 13.2024 13.2024 k = 0.6204-0.0354-0.2690 ( 2956 PWs) bands (ev): -25.8160 -25.8160 -10.7433 -10.7433 -10.3860 -10.3860 -8.3476 -8.3476 -7.3493 -7.3493 -7.1874 -7.1874 -1.2062 -1.2062 -0.9762 -0.9762 0.3005 0.3005 0.6690 0.6690 0.8998 0.8998 1.8749 1.8749 3.3696 3.3696 4.4154 4.4154 4.6119 4.6119 5.4843 5.4843 5.8057 5.8057 8.8815 8.8815 11.5265 11.5265 13.0178 13.0178 13.2588 13.2588 k = 0.6144-0.0262-0.2510 ( 2950 PWs) bands (ev): -25.8179 -25.8179 -10.7513 -10.7513 -10.3650 -10.3650 -8.3461 -8.3461 -7.3426 -7.3426 -7.1928 -7.1928 -1.2050 -1.2050 -0.9770 -0.9770 0.3049 0.3049 0.6741 0.6741 0.8964 0.8964 1.8345 1.8345 3.3478 3.3478 4.4022 4.4022 4.5853 4.5853 5.5148 5.5148 5.8189 5.8189 8.9055 8.9055 11.4507 11.4507 13.1027 13.1027 13.3281 13.3281 k = 0.6084-0.0170-0.2330 ( 2950 PWs) bands (ev): -25.8198 -25.8198 -10.7593 -10.7593 -10.3439 -10.3439 -8.3452 -8.3452 -7.3367 -7.3367 -7.1974 -7.1974 -1.2039 -1.2039 -0.9778 -0.9778 0.3091 0.3091 0.6791 0.6791 0.8930 0.8930 1.7965 1.7965 3.3266 3.3266 4.3891 4.3891 4.5586 4.5586 5.5452 5.5452 5.8317 5.8317 8.9294 8.9294 11.3759 11.3759 13.1727 13.1727 13.4098 13.4098 k = 0.6023-0.0078-0.2150 ( 2950 PWs) bands (ev): -25.8217 -25.8217 -10.7673 -10.7673 -10.3227 -10.3227 -8.3449 -8.3449 -7.3318 -7.3318 -7.2008 -7.2008 -1.2028 -1.2028 -0.9786 -0.9786 0.3131 0.3131 0.6840 0.6840 0.8897 0.8897 1.7609 1.7609 3.3059 3.3059 4.3762 4.3762 4.5320 4.5320 5.5755 5.5755 5.8441 5.8441 8.9529 8.9529 11.3026 11.3026 13.2317 13.2317 13.4983 13.4983 k = 0.5963 0.0014-0.1970 ( 2946 PWs) bands (ev): -25.8235 -25.8235 -10.7751 -10.7751 -10.3017 -10.3017 -8.3451 -8.3451 -7.3282 -7.3282 -7.2030 -7.2030 -1.2018 -1.2018 -0.9795 -0.9795 0.3171 0.3171 0.6887 0.6887 0.8865 0.8865 1.7276 1.7276 3.2859 3.2859 4.3635 4.3635 4.5058 4.5058 5.6053 5.6053 5.8561 5.8561 8.9759 8.9759 11.2310 11.2310 13.2847 13.2847 13.5865 13.5865 k = 0.5903 0.0106-0.1790 ( 2946 PWs) bands (ev): -25.8252 -25.8252 -10.7827 -10.7827 -10.2810 -10.2810 -8.3459 -8.3459 -7.3258 -7.3258 -7.2038 -7.2038 -1.2009 -1.2009 -0.9803 -0.9803 0.3208 0.3208 0.6934 0.6934 0.8833 0.8833 1.6967 1.6967 3.2667 3.2667 4.3511 4.3511 4.4802 4.4802 5.6346 5.6346 5.8678 5.8678 8.9982 8.9982 11.1617 11.1617 13.3349 13.3349 13.6687 13.6687 k = 0.5843 0.0198-0.1610 ( 2946 PWs) bands (ev): -25.8268 -25.8268 -10.7902 -10.7902 -10.2606 -10.2606 -8.3472 -8.3472 -7.3248 -7.3248 -7.2032 -7.2032 -1.2000 -1.2000 -0.9812 -0.9812 0.3244 0.3244 0.6978 0.6978 0.8803 0.8803 1.6681 1.6681 3.2483 3.2483 4.3390 4.3390 4.4554 4.4554 5.6630 5.6630 5.8791 5.8791 9.0196 9.0196 11.0949 11.0949 13.3841 13.3841 13.7411 13.7411 k = 0.5783 0.0291-0.1430 ( 2950 PWs) bands (ev): -25.8284 -25.8284 -10.7973 -10.7973 -10.2408 -10.2408 -8.3489 -8.3489 -7.3250 -7.3250 -7.2014 -7.2014 -1.1992 -1.1992 -0.9820 -0.9820 0.3277 0.3277 0.7021 0.7021 0.8774 0.8774 1.6419 1.6419 3.2308 3.2308 4.3274 4.3274 4.4315 4.4315 5.6904 5.6904 5.8900 5.8900 9.0400 9.0400 11.0310 11.0310 13.4330 13.4330 13.8014 13.8014 k = 0.5722 0.0383-0.1250 ( 2948 PWs) bands (ev): -25.8299 -25.8299 -10.8040 -10.8040 -10.2217 -10.2217 -8.3510 -8.3510 -7.3261 -7.3261 -7.1985 -7.1985 -1.1985 -1.1985 -0.9828 -0.9828 0.3308 0.3308 0.7061 0.7061 0.8746 0.8746 1.6179 1.6179 3.2142 3.2142 4.3162 4.3162 4.4089 4.4089 5.7165 5.7165 5.9005 5.9005 9.0594 9.0594 10.9703 10.9703 13.4818 13.4818 13.8490 13.8490 k = 0.5662 0.0475-0.1070 ( 2950 PWs) bands (ev): -25.8313 -25.8313 -10.8104 -10.8104 -10.2034 -10.2034 -8.3534 -8.3534 -7.3280 -7.3280 -7.1950 -7.1950 -1.1979 -1.1979 -0.9836 -0.9836 0.3336 0.3336 0.7099 0.7099 0.8720 0.8720 1.5963 1.5963 3.1988 3.1988 4.3055 4.3055 4.3875 4.3875 5.7410 5.7410 5.9108 5.9108 9.0775 9.0775 10.9131 10.9131 13.5304 13.5304 13.8840 13.8840 k = 0.5602 0.0567-0.0890 ( 2950 PWs) bands (ev): -25.8325 -25.8325 -10.8164 -10.8164 -10.1861 -10.1861 -8.3560 -8.3560 -7.3305 -7.3305 -7.1909 -7.1909 -1.1973 -1.1973 -0.9844 -0.9844 0.3362 0.3362 0.7133 0.7133 0.8695 0.8695 1.5768 1.5768 3.1844 3.1844 4.2953 4.2953 4.3678 4.3678 5.7637 5.7637 5.9209 5.9209 9.0943 9.0943 10.8597 10.8597 13.5786 13.5786 13.9072 13.9072 k = 0.5542 0.0659-0.0710 ( 2946 PWs) bands (ev): -25.8337 -25.8337 -10.8219 -10.8219 -10.1699 -10.1699 -8.3588 -8.3588 -7.3332 -7.3332 -7.1866 -7.1866 -1.1968 -1.1968 -0.9851 -0.9851 0.3386 0.3386 0.7165 0.7165 0.8673 0.8673 1.5594 1.5594 3.1711 3.1711 4.2855 4.2855 4.3498 4.3498 5.7844 5.7844 5.9306 5.9306 9.1097 9.1097 10.8104 10.8104 13.6257 13.6257 13.9203 13.9203 k = 0.5482 0.0751-0.0530 ( 2940 PWs) bands (ev): -25.8348 -25.8348 -10.8269 -10.8269 -10.1549 -10.1549 -8.3615 -8.3615 -7.3360 -7.3360 -7.1823 -7.1823 -1.1964 -1.1964 -0.9857 -0.9857 0.3407 0.3407 0.7194 0.7194 0.8652 0.8652 1.5442 1.5442 3.1591 3.1591 4.2763 4.2763 4.3336 4.3336 5.8028 5.8028 5.9402 5.9402 9.1237 9.1237 10.7654 10.7654 13.6712 13.6712 13.9251 13.9251 k = 0.5421 0.0844-0.0350 ( 2942 PWs) bands (ev): -25.8357 -25.8357 -10.8314 -10.8314 -10.1414 -10.1414 -8.3643 -8.3643 -7.3387 -7.3387 -7.1782 -7.1782 -1.1961 -1.1961 -0.9864 -0.9864 0.3425 0.3425 0.7220 0.7220 0.8634 0.8634 1.5309 1.5309 3.1484 3.1484 4.2677 4.2677 4.3196 4.3196 5.8188 5.8188 5.9493 5.9493 9.1362 9.1362 10.7250 10.7250 13.7142 13.7142 13.9241 13.9241 k = 0.5361 0.0936-0.0170 ( 2936 PWs) bands (ev): -25.8366 -25.8366 -10.8354 -10.8354 -10.1294 -10.1294 -8.3669 -8.3669 -7.3413 -7.3413 -7.1743 -7.1743 -1.1958 -1.1958 -0.9869 -0.9869 0.3441 0.3441 0.7242 0.7242 0.8618 0.8618 1.5195 1.5195 3.1390 3.1390 4.2596 4.2596 4.3076 4.3076 5.8325 5.8325 5.9580 5.9580 9.1471 9.1471 10.6894 10.6894 13.7537 13.7537 13.9200 13.9200 k = 0.5301 0.1028 0.0010 ( 2938 PWs) bands (ev): -25.8373 -25.8373 -10.8387 -10.8387 -10.1190 -10.1190 -8.3692 -8.3692 -7.3436 -7.3436 -7.1709 -7.1709 -1.1955 -1.1955 -0.9874 -0.9874 0.3455 0.3455 0.7261 0.7261 0.8604 0.8604 1.5101 1.5101 3.1310 3.1310 4.2523 4.2523 4.2978 4.2978 5.8437 5.8437 5.9660 5.9660 9.1564 9.1564 10.6589 10.6589 13.7885 13.7885 13.9150 13.9150 k = 0.5241 0.1120 0.0190 ( 2934 PWs) bands (ev): -25.8378 -25.8378 -10.8415 -10.8415 -10.1104 -10.1104 -8.3713 -8.3713 -7.3456 -7.3456 -7.1680 -7.1680 -1.1953 -1.1953 -0.9878 -0.9878 0.3466 0.3466 0.7277 0.7277 0.8593 0.8593 1.5024 1.5024 3.1244 3.1244 4.2459 4.2459 4.2899 4.2899 5.8526 5.8526 5.9730 5.9730 9.1640 9.1640 10.6337 10.6337 13.8171 13.8171 13.9111 13.9111 k = 0.5181 0.1212 0.0370 ( 2940 PWs) bands (ev): -25.8383 -25.8383 -10.8437 -10.8437 -10.1036 -10.1036 -8.3730 -8.3730 -7.3471 -7.3471 -7.1657 -7.1657 -1.1952 -1.1952 -0.9881 -0.9881 0.3474 0.3474 0.7289 0.7289 0.8585 0.8585 1.4965 1.4965 3.1192 3.1192 4.2406 4.2406 4.2841 4.2841 5.8594 5.8594 5.9788 5.9788 9.1700 9.1700 10.6139 10.6139 13.8378 13.8378 13.9099 13.9099 k = 0.5120 0.1304 0.0550 ( 2936 PWs) bands (ev): -25.8386 -25.8386 -10.8453 -10.8453 -10.0986 -10.0986 -8.3742 -8.3742 -7.3483 -7.3483 -7.1640 -7.1640 -1.1951 -1.1951 -0.9883 -0.9883 0.3480 0.3480 0.7297 0.7297 0.8578 0.8578 1.4923 1.4923 3.1155 3.1155 4.2367 4.2367 4.2800 4.2800 5.8641 5.8641 5.9832 5.9832 9.1743 9.1743 10.5997 10.5997 13.8501 13.8501 13.9119 13.9119 k = 0.5060 0.1396 0.0730 ( 2932 PWs) bands (ev): -25.8388 -25.8388 -10.8462 -10.8462 -10.0957 -10.0957 -8.3750 -8.3750 -7.3490 -7.3490 -7.1630 -7.1630 -1.1950 -1.1950 -0.9885 -0.9885 0.3484 0.3484 0.7302 0.7302 0.8575 0.8575 1.4898 1.4898 3.1132 3.1132 4.2343 4.2343 4.2776 4.2776 5.8669 5.8669 5.9859 5.9859 9.1769 9.1769 10.5911 10.5911 13.8555 13.8555 13.9152 13.9152 k = 0.5000 0.1489 0.0910 ( 2930 PWs) bands (ev): -25.8389 -25.8389 -10.8465 -10.8465 -10.0947 -10.0947 -8.3752 -8.3752 -7.3492 -7.3492 -7.1626 -7.1626 -1.1950 -1.1950 -0.9885 -0.9885 0.3485 0.3485 0.7304 0.7304 0.8573 0.8573 1.4890 1.4890 3.1125 3.1125 4.2335 4.2335 4.2768 4.2768 5.8678 5.8678 5.9868 5.9868 9.1778 9.1778 10.5882 10.5882 13.8569 13.8569 13.9167 13.9167 k = 0.5000 0.1489 0.0910 ( 2930 PWs) bands (ev): -25.8389 -25.8389 -10.8465 -10.8465 -10.0947 -10.0947 -8.3752 -8.3752 -7.3492 -7.3492 -7.1626 -7.1626 -1.1950 -1.1950 -0.9885 -0.9885 0.3485 0.3485 0.7304 0.7304 0.8573 0.8573 1.4890 1.4890 3.1125 3.1125 4.2335 4.2335 4.2768 4.2768 5.8678 5.8678 5.9868 5.9868 9.1778 9.1778 10.5882 10.5882 13.8569 13.8569 13.9167 13.9167 k = 0.4800 0.1429 0.0874 ( 2936 PWs) bands (ev): -25.8389 -25.8389 -10.8459 -10.8459 -10.0956 -10.0956 -8.3751 -8.3751 -7.3492 -7.3492 -7.1622 -7.1622 -1.1956 -1.1956 -0.9885 -0.9885 0.3476 0.3476 0.7302 0.7302 0.8573 0.8573 1.4874 1.4874 3.1167 3.1167 4.2349 4.2349 4.2783 4.2783 5.8662 5.8662 5.9851 5.9851 9.1709 9.1709 10.5957 10.5957 13.8576 13.8576 13.9170 13.9170 k = 0.4600 0.1369 0.0837 ( 2936 PWs) bands (ev): -25.8389 -25.8389 -10.8441 -10.8441 -10.0985 -10.0985 -8.3745 -8.3745 -7.3492 -7.3492 -7.1611 -7.1611 -1.1973 -1.1973 -0.9886 -0.9886 0.3450 0.3450 0.7296 0.7296 0.8573 0.8573 1.4829 1.4829 3.1291 3.1291 4.2391 4.2391 4.2829 4.2829 5.8613 5.8613 5.9801 5.9801 9.1508 9.1508 10.6178 10.6178 13.8596 13.8596 13.9180 13.9180 k = 0.4400 0.1310 0.0801 ( 2936 PWs) bands (ev): -25.8389 -25.8389 -10.8411 -10.8411 -10.1032 -10.1032 -8.3736 -8.3736 -7.3492 -7.3492 -7.1592 -7.1592 -1.2000 -1.2000 -0.9887 -0.9887 0.3407 0.3407 0.7287 0.7287 0.8573 0.8573 1.4755 1.4755 3.1494 3.1494 4.2461 4.2461 4.2905 4.2905 5.8532 5.8532 5.9719 5.9719 9.1187 9.1187 10.6533 10.6533 13.8628 13.8628 13.9196 13.9196 k = 0.4200 0.1250 0.0765 ( 2939 PWs) bands (ev): -25.8389 -25.8389 -10.8368 -10.8368 -10.1098 -10.1098 -8.3723 -8.3723 -7.3491 -7.3491 -7.1565 -7.1565 -1.2038 -1.2038 -0.9889 -0.9889 0.3349 0.3349 0.7273 0.7273 0.8573 0.8573 1.4657 1.4657 3.1771 3.1771 4.2558 4.2558 4.3011 4.3011 5.8420 5.8420 5.9604 5.9604 9.0762 9.0762 10.7006 10.7006 13.8672 13.8672 13.9219 13.9219 k = 0.4000 0.1191 0.0728 ( 2930 PWs) bands (ev): -25.8389 -25.8389 -10.8314 -10.8314 -10.1181 -10.1181 -8.3707 -8.3707 -7.3491 -7.3491 -7.1532 -7.1532 -1.2087 -1.2087 -0.9891 -0.9891 0.3275 0.3275 0.7257 0.7257 0.8572 0.8572 1.4538 1.4538 3.2117 3.2117 4.2682 4.2682 4.3146 4.3146 5.8276 5.8276 5.9458 5.9458 9.0252 9.0252 10.7581 10.7581 13.8728 13.8728 13.9246 13.9246 k = 0.3800 0.1131 0.0692 ( 2930 PWs) bands (ev): -25.8389 -25.8389 -10.8248 -10.8248 -10.1282 -10.1282 -8.3689 -8.3689 -7.3491 -7.3491 -7.1493 -7.1493 -1.2144 -1.2144 -0.9894 -0.9894 0.3188 0.3188 0.7237 0.7237 0.8572 0.8572 1.4403 1.4403 3.2522 3.2522 4.2833 4.2833 4.3310 4.3310 5.8103 5.8103 5.9281 5.9281 8.9674 8.9674 10.8240 10.8240 13.8794 13.8794 13.9279 13.9279 k = 0.3600 0.1072 0.0655 ( 2930 PWs) bands (ev): -25.8389 -25.8389 -10.8170 -10.8170 -10.1399 -10.1399 -8.3668 -8.3668 -7.3490 -7.3490 -7.1448 -7.1448 -1.2210 -1.2210 -0.9897 -0.9897 0.3090 0.3090 0.7215 0.7215 0.8571 0.8571 1.4257 1.4257 3.2981 3.2981 4.3008 4.3008 4.3502 4.3502 5.7902 5.7902 5.9075 5.9075 8.9044 8.9044 10.8970 10.8970 13.8870 13.8870 13.9317 13.9317 k = 0.3400 0.1012 0.0619 ( 2936 PWs) bands (ev): -25.8389 -25.8389 -10.8081 -10.8081 -10.1532 -10.1532 -8.3645 -8.3645 -7.3490 -7.3490 -7.1398 -7.1398 -1.2284 -1.2284 -0.9900 -0.9900 0.2981 0.2981 0.7190 0.7190 0.8570 0.8570 1.4104 1.4104 3.3483 3.3483 4.3209 4.3209 4.3720 4.3720 5.7673 5.7673 5.8840 5.8840 8.8376 8.8376 10.9757 10.9757 13.8953 13.8953 13.9358 13.9358 k = 0.3200 0.0953 0.0583 ( 2936 PWs) bands (ev): -25.8389 -25.8389 -10.7980 -10.7980 -10.1679 -10.1679 -8.3621 -8.3621 -7.3489 -7.3489 -7.1344 -7.1344 -1.2364 -1.2364 -0.9903 -0.9903 0.2865 0.2865 0.7163 0.7163 0.8569 0.8569 1.3948 1.3948 3.4021 3.4021 4.3432 4.3432 4.3964 4.3964 5.7419 5.7419 5.8578 5.8578 8.7683 8.7683 11.0591 11.0591 13.9042 13.9042 13.9403 13.9403 k = 0.3000 0.0893 0.0546 ( 2936 PWs) bands (ev): -25.8390 -25.8390 -10.7868 -10.7868 -10.1839 -10.1839 -8.3595 -8.3595 -7.3489 -7.3489 -7.1286 -7.1286 -1.2450 -1.2450 -0.9907 -0.9907 0.2743 0.2743 0.7135 0.7135 0.8568 0.8568 1.3793 1.3793 3.4587 3.4587 4.3678 4.3678 4.4231 4.4231 5.7141 5.7141 5.8292 5.8292 8.6975 8.6975 11.1465 11.1465 13.9137 13.9137 13.9450 13.9450 k = 0.2800 0.0834 0.0510 ( 2936 PWs) bands (ev): -25.8390 -25.8390 -10.7746 -10.7746 -10.2012 -10.2012 -8.3569 -8.3569 -7.3488 -7.3488 -7.1226 -7.1226 -1.2539 -1.2539 -0.9911 -0.9911 0.2617 0.2617 0.7105 0.7105 0.8568 0.8568 1.3641 1.3641 3.5171 3.5171 4.3944 4.3944 4.4521 4.4521 5.6841 5.6841 5.7982 5.7982 8.6262 8.6262 11.2370 11.2370 13.9235 13.9235 13.9498 13.9498 k = 0.2600 0.0774 0.0473 ( 2924 PWs) bands (ev): -25.8390 -25.8390 -10.7613 -10.7613 -10.2197 -10.2197 -8.3543 -8.3543 -7.3488 -7.3488 -7.1164 -7.1164 -1.2631 -1.2631 -0.9915 -0.9915 0.2490 0.2490 0.7076 0.7076 0.8567 0.8567 1.3494 1.3494 3.5767 3.5767 4.4228 4.4228 4.4831 4.4831 5.6522 5.6522 5.7652 5.7652 8.5551 8.5551 11.3300 11.3300 13.9334 13.9334 13.9547 13.9547 k = 0.2400 0.0714 0.0437 ( 2936 PWs) bands (ev): -25.8390 -25.8390 -10.7470 -10.7470 -10.2391 -10.2391 -8.3517 -8.3517 -7.3487 -7.3487 -7.1102 -7.1102 -1.2725 -1.2725 -0.9919 -0.9919 0.2364 0.2364 0.7046 0.7046 0.8566 0.8566 1.3354 1.3354 3.6365 3.6365 4.4529 4.4529 4.5160 4.5160 5.6187 5.6187 5.7302 5.7302 8.4850 8.4850 11.4249 11.4249 13.9434 13.9434 13.9597 13.9597 k = 0.2200 0.0655 0.0400 ( 2945 PWs) bands (ev): -25.8390 -25.8390 -10.7318 -10.7318 -10.2594 -10.2594 -8.3492 -8.3492 -7.3486 -7.3486 -7.1040 -7.1040 -1.2819 -1.2819 -0.9923 -0.9923 0.2240 0.2240 0.7016 0.7016 0.8565 0.8565 1.3223 1.3223 3.6957 3.6957 4.4844 4.4844 4.5505 4.5505 5.5837 5.5837 5.6937 5.6937 8.4166 8.4166 11.5212 11.5212 13.9532 13.9532 13.9645 13.9645 k = 0.2000 0.0595 0.0364 ( 2945 PWs) bands (ev): -25.8390 -25.8390 -10.7156 -10.7156 -10.2805 -10.2805 -8.3467 -8.3467 -7.3486 -7.3486 -7.0979 -7.0979 -1.2910 -1.2910 -0.9927 -0.9927 0.2121 0.2121 0.6987 0.6987 0.8564 0.8564 1.3102 1.3102 3.7536 3.7536 4.5170 4.5170 4.5864 4.5864 5.5478 5.5478 5.6558 5.6558 8.3508 8.3508 11.6182 11.6182 13.9628 13.9628 13.9692 13.9692 k = 0.1800 0.0536 0.0328 ( 2942 PWs) bands (ev): -25.8390 -25.8390 -10.6985 -10.6985 -10.3023 -10.3023 -8.3444 -8.3444 -7.3485 -7.3485 -7.0920 -7.0920 -1.2999 -1.2999 -0.9931 -0.9931 0.2008 0.2008 0.6960 0.6960 0.8563 0.8563 1.2991 1.2991 3.8094 3.8094 4.5503 4.5503 4.6232 4.6232 5.5111 5.5111 5.6171 5.6171 8.2883 8.2883 11.7150 11.7150 13.9718 13.9718 13.9737 13.9737 k = 0.1600 0.0476 0.0291 ( 2942 PWs) bands (ev): -25.8390 -25.8390 -10.6805 -10.6805 -10.3246 -10.3246 -8.3423 -8.3423 -7.3485 -7.3485 -7.0865 -7.0865 -1.3082 -1.3082 -0.9934 -0.9934 0.1903 0.1903 0.6934 0.6934 0.8562 0.8562 1.2891 1.2891 3.8621 3.8621 4.5840 4.5840 4.6607 4.6607 5.4743 5.4743 5.5778 5.5778 8.2297 8.2297 11.8109 11.8109 13.9779 13.9779 13.9802 13.9802 k = 0.1400 0.0417 0.0255 ( 2945 PWs) bands (ev): -25.8390 -25.8390 -10.6618 -10.6618 -10.3473 -10.3473 -8.3403 -8.3403 -7.3484 -7.3484 -7.0815 -7.0815 -1.3160 -1.3160 -0.9937 -0.9937 0.1807 0.1807 0.6910 0.6910 0.8562 0.8562 1.2803 1.2803 3.9112 3.9112 4.6176 4.6176 4.6983 4.6983 5.4377 5.4377 5.5386 5.5386 8.1759 8.1759 11.9047 11.9047 13.9490 13.9490 13.9818 13.9818 k = 0.1200 0.0357 0.0218 ( 2945 PWs) bands (ev): -25.8390 -25.8390 -10.6423 -10.6423 -10.3704 -10.3704 -8.3386 -8.3386 -7.3484 -7.3484 -7.0769 -7.0769 -1.3230 -1.3230 -0.9940 -0.9940 0.1722 0.1722 0.6889 0.6889 0.8561 0.8561 1.2726 1.2726 3.9557 3.9557 4.6504 4.6504 4.7354 4.7354 5.4022 5.4022 5.5000 5.5000 8.1274 8.1274 11.9950 11.9950 13.8820 13.8820 13.9852 13.9852 k = 0.1000 0.0298 0.0182 ( 2945 PWs) bands (ev): -25.8390 -25.8390 -10.6222 -10.6222 -10.3937 -10.3937 -8.3371 -8.3371 -7.3483 -7.3483 -7.0728 -7.0728 -1.3292 -1.3292 -0.9943 -0.9943 0.1648 0.1648 0.6870 0.6870 0.8561 0.8561 1.2661 1.2661 3.9949 3.9949 4.6817 4.6817 4.7711 4.7711 5.3685 5.3685 5.4630 5.4630 8.0850 8.0850 12.0799 12.0799 13.8145 13.8145 13.9882 13.9882 k = 0.0800 0.0238 0.0146 ( 2939 PWs) bands (ev): -25.8390 -25.8390 -10.6014 -10.6014 -10.4170 -10.4170 -8.3358 -8.3358 -7.3483 -7.3483 -7.0695 -7.0695 -1.3344 -1.3344 -0.9945 -0.9945 0.1586 0.1586 0.6855 0.6855 0.8560 0.8560 1.2607 1.2607 4.0281 4.0281 4.7103 4.7103 4.8043 4.8043 5.3378 5.3378 5.4287 5.4287 8.0493 8.0493 12.1569 12.1569 13.7501 13.7501 13.9907 13.9907 k = 0.0600 0.0179 0.0109 ( 2930 PWs) bands (ev): -25.8390 -25.8390 -10.5802 -10.5802 -10.4402 -10.4402 -8.3348 -8.3348 -7.3483 -7.3483 -7.0668 -7.0668 -1.3385 -1.3385 -0.9947 -0.9947 0.1537 0.1537 0.6843 0.6843 0.8560 0.8560 1.2566 1.2566 4.0547 4.0547 4.7352 4.7352 4.8336 4.8336 5.3112 5.3112 5.3986 5.3986 8.0209 8.0209 12.2229 12.2229 13.6930 13.6930 13.9927 13.9927 k = 0.0400 0.0119 0.0073 ( 2931 PWs) bands (ev): -25.8390 -25.8390 -10.5589 -10.5589 -10.4631 -10.4631 -8.3341 -8.3341 -7.3483 -7.3483 -7.0648 -7.0648 -1.3415 -1.3415 -0.9948 -0.9948 0.1502 0.1502 0.6834 0.6834 0.8559 0.8559 1.2536 1.2536 4.0742 4.0742 4.7546 4.7546 4.8569 4.8569 5.2905 5.2905 5.3747 5.3747 8.0003 8.0003 12.2743 12.2743 13.6475 13.6475 13.9941 13.9943 k = 0.0200 0.0060 0.0036 ( 2931 PWs) bands (ev): -25.8390 -25.8390 -10.5381 -10.5381 -10.4848 -10.4848 -8.3337 -8.3337 -7.3483 -7.3483 -7.0636 -7.0636 -1.3434 -1.3434 -0.9949 -0.9949 0.1481 0.1481 0.6828 0.6828 0.8559 0.8559 1.2518 1.2518 4.0860 4.0860 4.7672 4.7672 4.8721 4.8721 5.2772 5.2772 5.3590 5.3590 7.9877 7.9877 12.3072 12.3072 13.6179 13.6179 13.9950 13.9950 k = 0.0000 0.0000 0.0000 ( 2937 PWs) bands (ev): -25.8390 -25.8390 -10.5251 -10.5251 -10.4981 -10.4981 -8.3335 -8.3335 -7.3483 -7.3483 -7.0632 -7.0632 -1.3440 -1.3440 -0.9949 -0.9949 0.1474 0.1474 0.6826 0.6826 0.8559 0.8559 1.2513 1.2513 4.0900 4.0900 4.7715 4.7715 4.8774 4.8774 5.2726 5.2726 5.3536 5.3536 7.9835 7.9835 12.3185 12.3185 13.6077 13.6077 13.9953 13.9953 k = 0.0000 0.0000 0.0000 ( 2937 PWs) bands (ev): -25.8390 -25.8390 -10.5251 -10.5251 -10.4981 -10.4981 -8.3335 -8.3335 -7.3483 -7.3483 -7.0632 -7.0632 -1.3440 -1.3440 -0.9949 -0.9949 0.1474 0.1474 0.6826 0.6826 0.8559 0.8559 1.2513 1.2513 4.0900 4.0900 4.7715 4.7715 4.8774 4.8774 5.2726 5.2726 5.3536 5.3536 7.9835 7.9835 12.3185 12.3185 13.6077 13.6077 13.9953 13.9953 k = 0.0060-0.0092-0.0180 ( 2933 PWs) bands (ev): -25.8390 -25.8390 -10.5260 -10.5260 -10.4975 -10.4975 -8.3335 -8.3335 -7.3482 -7.3482 -7.0637 -7.0637 -1.3438 -1.3438 -0.9948 -0.9948 0.1475 0.1475 0.6826 0.6826 0.8560 0.8560 1.2526 1.2526 4.0888 4.0888 4.7726 4.7726 4.8784 4.8784 5.2715 5.2715 5.3524 5.3524 7.9852 7.9852 12.3189 12.3189 13.6076 13.6076 13.9948 13.9948 k = 0.0121-0.0184-0.0360 ( 2931 PWs) bands (ev): -25.8388 -25.8388 -10.5288 -10.5288 -10.4957 -10.4957 -8.3332 -8.3332 -7.3480 -7.3480 -7.0652 -7.0652 -1.3431 -1.3431 -0.9946 -0.9946 0.1479 0.1479 0.6823 0.6823 0.8564 0.8564 1.2568 1.2568 4.0855 4.0855 4.7759 4.7759 4.8814 4.8814 5.2682 5.2682 5.3491 5.3491 7.9904 7.9904 12.3202 12.3202 13.6071 13.6071 13.9920 13.9923 k = 0.0181-0.0277-0.0541 ( 2933 PWs) bands (ev): -25.8385 -25.8385 -10.5332 -10.5332 -10.4931 -10.4931 -8.3329 -8.3329 -7.3476 -7.3476 -7.0676 -7.0676 -1.3421 -1.3421 -0.9944 -0.9944 0.1485 0.1485 0.6820 0.6820 0.8571 0.8571 1.2638 1.2638 4.0801 4.0801 4.7811 4.7811 4.8864 4.8864 5.2624 5.2624 5.3441 5.3441 7.9990 7.9990 12.3222 12.3222 13.6061 13.6061 13.9852 13.9852 k = 0.0241-0.0369-0.0721 ( 2935 PWs) bands (ev): -25.8380 -25.8380 -10.5389 -10.5389 -10.4898 -10.4898 -8.3325 -8.3325 -7.3471 -7.3471 -7.0709 -7.0709 -1.3406 -1.3406 -0.9939 -0.9939 0.1493 0.1493 0.6814 0.6814 0.8579 0.8579 1.2735 1.2735 4.0728 4.0728 4.7878 4.7878 4.8936 4.8936 5.2537 5.2537 5.3378 5.3378 8.0107 8.0107 12.3250 12.3250 13.6041 13.6041 13.9741 13.9741 k = 0.0301-0.0461-0.0901 ( 2939 PWs) bands (ev): -25.8374 -25.8374 -10.5458 -10.5458 -10.4858 -10.4858 -8.3319 -8.3319 -7.3465 -7.3465 -7.0752 -7.0752 -1.3387 -1.3387 -0.9934 -0.9934 0.1504 0.1504 0.6807 0.6807 0.8590 0.8590 1.2860 1.2860 4.0639 4.0639 4.7955 4.7955 4.9030 4.9030 5.2418 5.2418 5.3311 5.3311 8.0256 8.0256 12.3287 12.3287 13.6003 13.6003 13.9594 13.9595 k = 0.0362-0.0553-0.1081 ( 2937 PWs) bands (ev): -25.8367 -25.8367 -10.5540 -10.5540 -10.4813 -10.4813 -8.3314 -8.3314 -7.3458 -7.3458 -7.0802 -7.0802 -1.3365 -1.3365 -0.9928 -0.9928 0.1517 0.1517 0.6799 0.6799 0.8603 0.8603 1.3014 1.3014 4.0536 4.0536 4.8037 4.8037 4.9145 4.9145 5.2265 5.2265 5.3244 5.3244 8.0434 8.0434 12.3332 12.3332 13.5938 13.5938 13.9419 13.9419 k = 0.0422-0.0646-0.1261 ( 2933 PWs) bands (ev): -25.8359 -25.8359 -10.5632 -10.5632 -10.4762 -10.4762 -8.3308 -8.3308 -7.3450 -7.3450 -7.0861 -7.0861 -1.3339 -1.3339 -0.9921 -0.9921 0.1532 0.1532 0.6789 0.6789 0.8619 0.8619 1.3195 1.3195 4.0424 4.0424 4.8118 4.8118 4.9280 4.9280 5.2081 5.2081 5.3181 5.3181 8.0638 8.0638 12.3385 12.3385 13.5835 13.5835 13.9222 13.9222 k = 0.0482-0.0738-0.1441 ( 2927 PWs) bands (ev): -25.8349 -25.8349 -10.5735 -10.5735 -10.4706 -10.4706 -8.3303 -8.3303 -7.3442 -7.3442 -7.0926 -7.0926 -1.3309 -1.3309 -0.9912 -0.9912 0.1550 0.1550 0.6777 0.6777 0.8636 0.8636 1.3404 1.3404 4.0303 4.0303 4.8194 4.8194 4.9431 4.9431 5.1872 5.1872 5.3124 5.3124 8.0867 8.0867 12.3447 12.3447 13.5680 13.5680 13.9008 13.9008 k = 0.0542-0.0830-0.1622 ( 2925 PWs) bands (ev): -25.8338 -25.8338 -10.5848 -10.5848 -10.4644 -10.4644 -8.3298 -8.3298 -7.3434 -7.3434 -7.0998 -7.0998 -1.3276 -1.3276 -0.9903 -0.9903 0.1570 0.1570 0.6764 0.6764 0.8656 0.8656 1.3641 1.3641 4.0177 4.0177 4.8261 4.8261 4.9593 4.9593 5.1647 5.1647 5.3072 5.3072 8.1117 8.1117 12.3517 12.3517 13.5456 13.5456 13.8783 13.8783 k = 0.0603-0.0922-0.1802 ( 2924 PWs) bands (ev): -25.8326 -25.8326 -10.5970 -10.5970 -10.4577 -10.4577 -8.3295 -8.3295 -7.3427 -7.3427 -7.1075 -7.1075 -1.3240 -1.3240 -0.9893 -0.9893 0.1592 0.1592 0.6749 0.6749 0.8677 0.8677 1.3906 1.3906 4.0049 4.0049 4.8310 4.8310 4.9756 4.9756 5.1421 5.1421 5.3027 5.3027 8.1386 8.1386 12.3595 12.3595 13.5148 13.5148 13.8555 13.8555 k = 0.0663-0.1015-0.1982 ( 2926 PWs) bands (ev): -25.8314 -25.8314 -10.6101 -10.6101 -10.4505 -10.4505 -8.3294 -8.3294 -7.3420 -7.3420 -7.1156 -7.1156 -1.3200 -1.3200 -0.9883 -0.9883 0.1616 0.1616 0.6733 0.6733 0.8700 0.8700 1.4197 1.4197 3.9920 3.9920 4.8335 4.8335 4.9906 4.9906 5.1216 5.1216 5.2989 5.2989 8.1671 8.1671 12.3681 12.3681 13.4741 13.4741 13.8326 13.8326 k = 0.0723-0.1107-0.2162 ( 2928 PWs) bands (ev): -25.8300 -25.8300 -10.6240 -10.6240 -10.4428 -10.4428 -8.3296 -8.3296 -7.3415 -7.3415 -7.1240 -7.1240 -1.3159 -1.3159 -0.9872 -0.9872 0.1643 0.1643 0.6715 0.6715 0.8725 0.8725 1.4516 1.4516 3.9791 3.9791 4.8323 4.8323 5.0024 5.0024 5.1060 5.1060 5.2960 5.2960 8.1971 8.1971 12.3775 12.3775 13.4225 13.4225 13.8101 13.8101 k = 0.0783-0.1199-0.2342 ( 2924 PWs) bands (ev): -25.8285 -25.8285 -10.6386 -10.6386 -10.4347 -10.4347 -8.3300 -8.3300 -7.3412 -7.3412 -7.1325 -7.1325 -1.3115 -1.3115 -0.9860 -0.9860 0.1671 0.1671 0.6696 0.6696 0.8751 0.8751 1.4862 1.4862 3.9665 3.9665 4.8259 4.8259 5.0090 5.0090 5.0986 5.0986 5.2944 5.2944 8.2281 8.2281 12.3876 12.3876 13.3594 13.3594 13.7880 13.7880 k = 0.0844-0.1291-0.2522 ( 2924 PWs) bands (ev): -25.8269 -25.8269 -10.6538 -10.6538 -10.4261 -10.4261 -8.3307 -8.3307 -7.3413 -7.3413 -7.1411 -7.1411 -1.3068 -1.3068 -0.9848 -0.9848 0.1702 0.1702 0.6675 0.6675 0.8779 0.8779 1.5234 1.5234 3.9543 3.9543 4.8129 4.8129 5.0108 5.0108 5.0998 5.0998 5.2947 5.2947 8.2600 8.2600 12.3983 12.3983 13.2850 13.2850 13.7663 13.7663 k = 0.0904-0.1384-0.2703 ( 2922 PWs) bands (ev): -25.8253 -25.8253 -10.6695 -10.6695 -10.4172 -10.4172 -8.3319 -8.3319 -7.3417 -7.3417 -7.1495 -7.1495 -1.3020 -1.3020 -0.9836 -0.9836 0.1734 0.1734 0.6653 0.6653 0.8809 0.8809 1.5631 1.5631 3.9425 3.9425 4.7929 4.7929 5.0114 5.0114 5.1058 5.1058 5.2974 5.2974 8.2926 8.2926 12.4095 12.4095 13.2001 13.2001 13.7451 13.7451 k = 0.0964-0.1476-0.2883 ( 2920 PWs) bands (ev): -25.8235 -25.8235 -10.6856 -10.6856 -10.4080 -10.4080 -8.3334 -8.3334 -7.3427 -7.3427 -7.1576 -7.1576 -1.2971 -1.2971 -0.9823 -0.9823 0.1768 0.1768 0.6630 0.6630 0.8839 0.8839 1.6054 1.6054 3.9313 3.9313 4.7664 4.7664 5.0138 5.0138 5.1127 5.1127 5.3030 5.3030 8.3255 8.3255 12.4209 12.4209 13.1057 13.1057 13.7241 13.7241 k = 0.1024-0.1568-0.3063 ( 2924 PWs) bands (ev): -25.8217 -25.8217 -10.7020 -10.7020 -10.3986 -10.3986 -8.3354 -8.3354 -7.3442 -7.3442 -7.1653 -7.1653 -1.2920 -1.2920 -0.9810 -0.9810 0.1805 0.1805 0.6606 0.6606 0.8872 0.8872 1.6500 1.6500 3.9207 3.9207 4.7350 4.7350 5.0186 5.0186 5.1180 5.1180 5.3119 5.3119 8.3586 8.3586 12.4321 12.4321 13.0035 13.0035 13.7031 13.7031 k = 0.1085-0.1660-0.3243 ( 2930 PWs) bands (ev): -25.8199 -25.8199 -10.7186 -10.7186 -10.3890 -10.3890 -8.3378 -8.3378 -7.3464 -7.3464 -7.1723 -7.1723 -1.2868 -1.2868 -0.9797 -0.9797 0.1842 0.1842 0.6582 0.6582 0.8905 0.8905 1.6971 1.6971 3.9107 3.9107 4.6999 4.6999 5.0256 5.0256 5.1207 5.1207 5.3242 5.3242 8.3917 8.3917 12.4425 12.4425 12.8953 12.8953 13.6820 13.6820 k = 0.1145-0.1753-0.3423 ( 2938 PWs) bands (ev): -25.8180 -25.8180 -10.7353 -10.7353 -10.3792 -10.3792 -8.3407 -8.3407 -7.3493 -7.3493 -7.1787 -7.1787 -1.2816 -1.2816 -0.9784 -0.9784 0.1882 0.1882 0.6556 0.6556 0.8940 0.8940 1.7463 1.7463 3.9014 3.9014 4.6624 4.6624 5.0340 5.0340 5.1208 5.1208 5.3393 5.3393 8.4245 8.4245 12.4504 12.4504 12.7842 12.7842 13.6602 13.6602 k = 0.1205-0.1845-0.3604 ( 2944 PWs) bands (ev): -25.8160 -25.8160 -10.7520 -10.7520 -10.3694 -10.3694 -8.3441 -8.3441 -7.3529 -7.3529 -7.1842 -7.1842 -1.2763 -1.2763 -0.9771 -0.9771 0.1923 0.1923 0.6530 0.6530 0.8976 0.8976 1.7977 1.7977 3.8929 3.8929 4.6235 4.6235 5.0430 5.0430 5.1189 5.1189 5.3566 5.3566 8.4570 8.4570 12.4508 12.4508 12.6761 12.6761 13.6372 13.6372 k = 0.1265-0.1937-0.3784 ( 2940 PWs) bands (ev): -25.8140 -25.8140 -10.7686 -10.7686 -10.3596 -10.3596 -8.3480 -8.3480 -7.3573 -7.3573 -7.1890 -7.1890 -1.2711 -1.2711 -0.9757 -0.9757 0.1965 0.1965 0.6503 0.6503 0.9012 0.9012 1.8512 1.8512 3.8851 3.8851 4.5837 4.5837 5.0515 5.0515 5.1161 5.1161 5.3754 5.3754 8.4888 8.4888 12.4267 12.4267 12.5892 12.5892 13.6122 13.6122 k = 0.1326-0.2029-0.3964 ( 2946 PWs) bands (ev): -25.8120 -25.8120 -10.7851 -10.7851 -10.3500 -10.3500 -8.3523 -8.3523 -7.3624 -7.3624 -7.1928 -7.1928 -1.2658 -1.2658 -0.9744 -0.9744 0.2009 0.2009 0.6477 0.6477 0.9050 0.9050 1.9065 1.9065 3.8780 3.8780 4.5437 4.5437 5.0579 5.0579 5.1142 5.1142 5.3952 5.3952 8.5199 8.5199 12.3508 12.3508 12.5514 12.5514 13.5841 13.5841 k = 0.1386-0.2121-0.4144 ( 2944 PWs) bands (ev): -25.8100 -25.8100 -10.8013 -10.8013 -10.3405 -10.3405 -8.3570 -8.3570 -7.3681 -7.3681 -7.1959 -7.1959 -1.2606 -1.2606 -0.9731 -0.9731 0.2054 0.2054 0.6450 0.6450 0.9088 0.9088 1.9637 1.9637 3.8717 3.8717 4.5039 4.5039 5.0600 5.0600 5.1155 5.1155 5.4155 5.4155 8.5500 8.5500 12.2414 12.2414 12.5451 12.5451 13.5520 13.5520 k = 0.1446-0.2214-0.4324 ( 2944 PWs) bands (ev): -25.8079 -25.8079 -10.8171 -10.8171 -10.3313 -10.3313 -8.3621 -8.3621 -7.3744 -7.3744 -7.1982 -7.1982 -1.2555 -1.2555 -0.9718 -0.9718 0.2099 0.2099 0.6423 0.6423 0.9126 0.9126 2.0225 2.0225 3.8660 3.8660 4.4645 4.4645 5.0567 5.0567 5.1212 5.1212 5.4359 5.4359 8.5791 8.5791 12.1219 12.1219 12.5470 12.5470 13.5147 13.5147 k = 0.1506-0.2306-0.4504 ( 2956 PWs) bands (ev): -25.8058 -25.8058 -10.8325 -10.8325 -10.3225 -10.3225 -8.3675 -8.3675 -7.3809 -7.3809 -7.1999 -7.1999 -1.2504 -1.2504 -0.9706 -0.9706 0.2145 0.2145 0.6396 0.6396 0.9165 0.9165 2.0829 2.0829 3.8611 3.8611 4.4258 4.4258 5.0490 5.0490 5.1302 5.1302 5.4562 5.4562 8.6071 8.6071 12.0000 12.0000 12.5494 12.5494 13.4719 13.4719 k = 0.1567-0.2398-0.4685 ( 2954 PWs) bands (ev): -25.8037 -25.8037 -10.8474 -10.8474 -10.3141 -10.3141 -8.3731 -8.3731 -7.3877 -7.3877 -7.2011 -7.2011 -1.2455 -1.2455 -0.9693 -0.9693 0.2192 0.2192 0.6369 0.6369 0.9203 0.9203 2.1446 2.1446 3.8569 3.8569 4.3882 4.3882 5.0386 5.0386 5.1411 5.1411 5.4761 5.4761 8.6337 8.6337 11.8785 11.8785 12.5493 12.5493 13.4237 13.4237 k = 0.1627-0.2490-0.4865 ( 2960 PWs) bands (ev): -25.8017 -25.8017 -10.8616 -10.8616 -10.3063 -10.3063 -8.3789 -8.3789 -7.3947 -7.3947 -7.2018 -7.2018 -1.2407 -1.2407 -0.9681 -0.9681 0.2239 0.2239 0.6343 0.6343 0.9241 0.9241 2.2076 2.2076 3.8534 3.8534 4.3517 4.3517 5.0264 5.0264 5.1529 5.1529 5.4955 5.4955 8.6589 8.6589 11.7586 11.7586 12.5442 12.5442 13.3715 13.3715 k = 0.1687-0.2583-0.5045 ( 2960 PWs) bands (ev): -25.7996 -25.7996 -10.8752 -10.8752 -10.2991 -10.2991 -8.3849 -8.3849 -7.4015 -7.4015 -7.2023 -7.2023 -1.2361 -1.2361 -0.9668 -0.9668 0.2286 0.2286 0.6317 0.6317 0.9279 0.9279 2.2715 2.2715 3.8505 3.8505 4.3166 4.3166 5.0130 5.0130 5.1649 5.1649 5.5143 5.5143 8.6827 8.6827 11.6414 11.6414 12.5317 12.5317 13.3178 13.3178 k = 0.1748-0.2675-0.5225 ( 2952 PWs) bands (ev): -25.7976 -25.7976 -10.8881 -10.8881 -10.2926 -10.2926 -8.3908 -8.3908 -7.4083 -7.4083 -7.2025 -7.2025 -1.2316 -1.2316 -0.9656 -0.9656 0.2332 0.2332 0.6292 0.6292 0.9316 0.9316 2.3363 2.3363 3.8482 3.8482 4.2831 4.2831 4.9987 4.9987 5.1769 5.1769 5.5324 5.5324 8.7050 8.7050 11.5277 11.5277 12.5094 12.5094 13.2658 13.2658 k = 0.1808-0.2767-0.5405 ( 2954 PWs) bands (ev): -25.7956 -25.7956 -10.9002 -10.9002 -10.2870 -10.2870 -8.3967 -8.3967 -7.4148 -7.4148 -7.2027 -7.2027 -1.2274 -1.2274 -0.9644 -0.9644 0.2378 0.2378 0.6268 0.6268 0.9352 0.9352 2.4017 2.4017 3.8464 3.8464 4.2512 4.2512 4.9837 4.9837 5.1886 5.1886 5.5498 5.5498 8.7258 8.7258 11.4179 11.4179 12.4748 12.4748 13.2194 13.2194 k = 0.1868-0.2859-0.5585 ( 2958 PWs) bands (ev): -25.7937 -25.7937 -10.9114 -10.9114 -10.2823 -10.2823 -8.4024 -8.4024 -7.4211 -7.4211 -7.2027 -7.2027 -1.2233 -1.2233 -0.9633 -0.9633 0.2423 0.2423 0.6244 0.6244 0.9387 0.9387 2.4676 2.4676 3.8452 3.8452 4.2212 4.2212 4.9681 4.9681 5.1998 5.1998 5.5664 5.5664 8.7451 8.7451 11.3125 11.3125 12.4261 12.4261 13.1815 13.1815 k = 0.1928-0.2952-0.5766 ( 2960 PWs) bands (ev): -25.7918 -25.7918 -10.9217 -10.9217 -10.2786 -10.2786 -8.4079 -8.4079 -7.4269 -7.4269 -7.2028 -7.2028 -1.2195 -1.2195 -0.9621 -0.9621 0.2467 0.2467 0.6221 0.6221 0.9420 0.9420 2.5336 2.5336 3.8445 3.8445 4.1931 4.1931 4.9521 4.9521 5.2104 5.2104 5.5821 5.5821 8.7630 8.7630 11.2120 11.2120 12.3630 12.3630 13.1540 13.1540 k = 0.1989-0.3044-0.5946 ( 2956 PWs) bands (ev): -25.7899 -25.7899 -10.9310 -10.9310 -10.2760 -10.2760 -8.4131 -8.4131 -7.4324 -7.4324 -7.2030 -7.2030 -1.2159 -1.2159 -0.9610 -0.9610 0.2510 0.2510 0.6199 0.6199 0.9452 0.9452 2.5996 2.5996 3.8442 3.8442 4.1670 4.1670 4.9357 4.9357 5.2204 5.2204 5.5970 5.5970 8.7797 8.7797 11.1167 11.1167 12.2866 12.2866 13.1368 13.1368 k = 0.2049-0.3136-0.6126 ( 2954 PWs) bands (ev): -25.7881 -25.7881 -10.9393 -10.9393 -10.2745 -10.2745 -8.4179 -8.4179 -7.4373 -7.4373 -7.2033 -7.2033 -1.2125 -1.2125 -0.9599 -0.9599 0.2551 0.2551 0.6179 0.6179 0.9482 0.9482 2.6654 2.6654 3.8443 3.8443 4.1432 4.1432 4.9190 4.9190 5.2295 5.2295 5.6111 5.6111 8.7953 8.7953 11.0267 11.0267 12.1990 12.1990 13.1290 13.1290 k = 0.2109-0.3228-0.6306 ( 2956 PWs) bands (ev): -25.7863 -25.7863 -10.9466 -10.9466 -10.2742 -10.2742 -8.4222 -8.4222 -7.4418 -7.4418 -7.2037 -7.2037 -1.2094 -1.2094 -0.9588 -0.9588 0.2590 0.2590 0.6158 0.6158 0.9510 0.9510 2.7306 2.7306 3.8448 3.8448 4.1215 4.1215 4.9021 4.9021 5.2376 5.2376 5.6242 5.6242 8.8100 8.8100 10.9423 10.9423 12.1026 12.1026 13.1290 13.1290 k = 0.2169-0.3321-0.6486 ( 2952 PWs) bands (ev): -25.7847 -25.7847 -10.9528 -10.9528 -10.2751 -10.2751 -8.4260 -8.4260 -7.4457 -7.4457 -7.2042 -7.2042 -1.2065 -1.2065 -0.9577 -0.9577 0.2626 0.2626 0.6140 0.6140 0.9536 0.9536 2.7950 2.7950 3.8455 3.8455 4.1023 4.1023 4.8850 4.8850 5.2448 5.2448 5.6365 5.6365 8.8242 8.8242 10.8635 10.8635 11.9999 11.9999 13.1351 13.1351 k = 0.2230-0.3413-0.6667 ( 2952 PWs) bands (ev): -25.7831 -25.7831 -10.9578 -10.9578 -10.2773 -10.2773 -8.4292 -8.4292 -7.4491 -7.4491 -7.2050 -7.2050 -1.2039 -1.2039 -0.9567 -0.9567 0.2660 0.2660 0.6122 0.6122 0.9559 0.9559 2.8582 2.8582 3.8465 3.8465 4.0855 4.0855 4.8679 4.8679 5.2510 5.2510 5.6479 5.6479 8.8383 8.8383 10.7902 10.7902 11.8926 11.8926 13.1462 13.1462 k = 0.2290-0.3505-0.6847 ( 2946 PWs) bands (ev): -25.7815 -25.7815 -10.9617 -10.9617 -10.2808 -10.2808 -8.4318 -8.4318 -7.4519 -7.4519 -7.2059 -7.2059 -1.2016 -1.2016 -0.9557 -0.9557 0.2692 0.2692 0.6105 0.6105 0.9580 0.9580 2.9201 2.9201 3.8476 3.8476 4.0712 4.0712 4.8507 4.8507 5.2559 5.2559 5.6583 5.6583 8.8528 8.8528 10.7225 10.7225 11.7824 11.7824 13.1612 13.1612 k = 0.2350-0.3597-0.7027 ( 2946 PWs) bands (ev): -25.7801 -25.7801 -10.9645 -10.9645 -10.2857 -10.2857 -8.4339 -8.4339 -7.4542 -7.4542 -7.2070 -7.2070 -1.1995 -1.1995 -0.9547 -0.9547 0.2720 0.2720 0.6089 0.6089 0.9598 0.9598 2.9803 2.9803 3.8490 3.8490 4.0595 4.0595 4.8335 4.8335 5.2597 5.2597 5.6678 5.6678 8.8680 8.8680 10.6601 10.6601 11.6703 11.6703 13.1793 13.1793 k = 0.2410-0.3689-0.7207 ( 2952 PWs) bands (ev): -25.7787 -25.7787 -10.9661 -10.9661 -10.2918 -10.2918 -8.4353 -8.4353 -7.4559 -7.4559 -7.2083 -7.2083 -1.1978 -1.1978 -0.9537 -0.9537 0.2744 0.2744 0.6074 0.6074 0.9614 0.9614 3.0384 3.0384 3.8504 3.8504 4.0505 4.0505 4.8164 4.8164 5.2622 5.2622 5.6763 5.6763 8.8846 8.8846 10.6028 10.6028 11.5575 11.5575 13.2000 13.2000 k = 0.2471-0.3782-0.7387 ( 2950 PWs) bands (ev): -25.7775 -25.7775 -10.9665 -10.9665 -10.2992 -10.2992 -8.4362 -8.4362 -7.4570 -7.4570 -7.2097 -7.2097 -1.1963 -1.1963 -0.9528 -0.9528 0.2766 0.2766 0.6060 0.6060 0.9628 0.9628 3.0941 3.0941 3.8521 3.8521 4.0442 4.0442 4.7995 4.7995 5.2634 5.2634 5.6839 5.6839 8.9031 8.9031 10.5503 10.5503 11.4445 11.4445 13.2230 13.2230 k = 0.2531-0.3874-0.7567 ( 2952 PWs) bands (ev): -25.7763 -25.7763 -10.9657 -10.9657 -10.3079 -10.3079 -8.4365 -8.4365 -7.4576 -7.4576 -7.2112 -7.2112 -1.1950 -1.1950 -0.9519 -0.9519 0.2783 0.2783 0.6047 0.6047 0.9638 0.9638 3.1470 3.1470 3.8539 3.8539 4.0407 4.0407 4.7827 4.7827 5.2633 5.2633 5.6905 5.6905 8.9241 8.9241 10.5024 10.5024 11.3320 11.3320 13.2479 13.2479 k = 0.2591-0.3966-0.7748 ( 2952 PWs) bands (ev): -25.7752 -25.7752 -10.9637 -10.9637 -10.3178 -10.3178 -8.4363 -8.4363 -7.4578 -7.4578 -7.2127 -7.2127 -1.1941 -1.1941 -0.9511 -0.9511 0.2797 0.2797 0.6035 0.6035 0.9647 0.9647 3.1969 3.1969 3.8560 3.8560 4.0400 4.0400 4.7662 4.7662 5.2620 5.2620 5.6960 5.6960 8.9481 8.9481 10.4586 10.4586 11.2204 11.2204 13.2746 13.2746 k = 0.2651-0.4058-0.7928 ( 2954 PWs) bands (ev): -25.7742 -25.7742 -10.9606 -10.9606 -10.3288 -10.3288 -8.4357 -8.4357 -7.4575 -7.4575 -7.2142 -7.2142 -1.1934 -1.1934 -0.9503 -0.9503 0.2807 0.2807 0.6023 0.6023 0.9653 0.9653 3.2432 3.2432 3.8586 3.8586 4.0421 4.0421 4.7499 4.7499 5.2592 5.2592 5.7005 5.7005 8.9756 8.9756 10.4185 10.4185 11.1103 11.1103 13.3027 13.3027 k = 0.2712-0.4151-0.8108 ( 2956 PWs) bands (ev): -25.7733 -25.7733 -10.9562 -10.9562 -10.3410 -10.3410 -8.4346 -8.4346 -7.4568 -7.4568 -7.2156 -7.2156 -1.1930 -1.1930 -0.9496 -0.9496 0.2812 0.2812 0.6013 0.6013 0.9657 0.9657 3.2856 3.2856 3.8616 3.8616 4.0470 4.0470 4.7340 4.7340 5.2552 5.2552 5.7040 5.7040 9.0072 9.0072 10.3818 10.3818 11.0021 11.0021 13.3323 13.3323 k = 0.2772-0.4243-0.8288 ( 2952 PWs) bands (ev): -25.7724 -25.7724 -10.9507 -10.9507 -10.3541 -10.3541 -8.4333 -8.4333 -7.4559 -7.4559 -7.2168 -7.2168 -1.1928 -1.1928 -0.9490 -0.9490 0.2814 0.2814 0.6003 0.6003 0.9659 0.9659 3.3238 3.3238 3.8652 3.8652 4.0549 4.0549 4.7184 4.7184 5.2500 5.2500 5.7063 5.7063 9.0431 9.0431 10.3480 10.3480 10.8961 10.8961 13.3632 13.3632 k = 0.2832-0.4335-0.8468 ( 2952 PWs) bands (ev): -25.7717 -25.7717 -10.9440 -10.9440 -10.3682 -10.3682 -8.4317 -8.4317 -7.4547 -7.4547 -7.2176 -7.2176 -1.1930 -1.1930 -0.9484 -0.9484 0.2811 0.2811 0.5993 0.5993 0.9659 0.9659 3.3574 3.3574 3.8696 3.8696 4.0656 4.0656 4.7033 4.7033 5.2435 5.2435 5.7075 5.7075 9.0836 9.0836 10.3167 10.3167 10.7928 10.7928 13.3953 13.3953 k = 0.2892-0.4427-0.8648 ( 2960 PWs) bands (ev): -25.7711 -25.7711 -10.9363 -10.9363 -10.3832 -10.3832 -8.4300 -8.4300 -7.4535 -7.4535 -7.2181 -7.2181 -1.1934 -1.1934 -0.9479 -0.9479 0.2804 0.2804 0.5984 0.5984 0.9658 0.9658 3.3862 3.3862 3.8746 3.8746 4.0794 4.0794 4.6887 4.6887 5.2359 5.2359 5.7075 5.7075 9.1289 9.1289 10.2876 10.2876 10.6926 10.6926 13.4285 13.4285 k = 0.2953-0.4520-0.8829 ( 2960 PWs) bands (ev): -25.7705 -25.7705 -10.9274 -10.9274 -10.3989 -10.3989 -8.4282 -8.4282 -7.4523 -7.4523 -7.2179 -7.2179 -1.1940 -1.1940 -0.9475 -0.9475 0.2793 0.2793 0.5975 0.5975 0.9656 0.9656 3.4100 3.4100 3.8803 3.8803 4.0962 4.0962 4.6746 4.6746 5.2272 5.2272 5.7064 5.7064 9.1789 9.1789 10.2600 10.2600 10.5963 10.5963 13.4627 13.4627 k = 0.3013-0.4612-0.9009 ( 2966 PWs) bands (ev): -25.7701 -25.7701 -10.9175 -10.9175 -10.4152 -10.4152 -8.4265 -8.4265 -7.4514 -7.4514 -7.2169 -7.2169 -1.1949 -1.1949 -0.9472 -0.9472 0.2778 0.2778 0.5966 0.5966 0.9653 0.9653 3.4290 3.4290 3.8866 3.8866 4.1161 4.1161 4.6611 4.6611 5.2176 5.2176 5.7040 5.7040 9.2333 9.2333 10.2335 10.2335 10.5048 10.5048 13.4977 13.4977 k = 0.3073-0.4704-0.9189 ( 2964 PWs) bands (ev): -25.7697 -25.7697 -10.9066 -10.9066 -10.4321 -10.4321 -8.4248 -8.4248 -7.4508 -7.4508 -7.2151 -7.2151 -1.1960 -1.1960 -0.9470 -0.9470 0.2758 0.2758 0.5956 0.5956 0.9650 0.9650 3.4432 3.4432 3.8933 3.8933 4.1388 4.1388 4.6481 4.6481 5.2071 5.2071 5.7005 5.7005 9.2914 9.2914 10.2072 10.2072 10.4196 10.4196 13.5301 13.5301 k = 0.3134-0.4796-0.9369 ( 2968 PWs) bands (ev): -25.7694 -25.7694 -10.8948 -10.8948 -10.4495 -10.4495 -8.4233 -8.4233 -7.4507 -7.4507 -7.2122 -7.2122 -1.1974 -1.1974 -0.9469 -0.9469 0.2735 0.2735 0.5947 0.5947 0.9647 0.9647 3.4530 3.4530 3.9004 3.9004 4.1642 4.1642 4.6359 4.6359 5.1957 5.1957 5.6956 5.6956 9.3519 9.3519 10.1798 10.1798 10.3432 10.3432 13.5238 13.5238 k = 0.3194-0.4889-0.9549 ( 2974 PWs) bands (ev): -25.7692 -25.7692 -10.8821 -10.8821 -10.4671 -10.4671 -8.4220 -8.4220 -7.4512 -7.4512 -7.2082 -7.2082 -1.1990 -1.1990 -0.9470 -0.9470 0.2709 0.2709 0.5936 0.5936 0.9644 0.9644 3.4586 3.4586 3.9076 3.9076 4.1921 4.1921 4.6243 4.6243 5.1838 5.1838 5.6895 5.6895 9.4125 9.4125 10.1497 10.1497 10.2793 10.2793 13.5098 13.5098 k = 0.3254-0.4981-0.9730 ( 2978 PWs) bands (ev): -25.7691 -25.7691 -10.8685 -10.8685 -10.4850 -10.4850 -8.4210 -8.4210 -7.4525 -7.4525 -7.2029 -7.2029 -1.2008 -1.2008 -0.9472 -0.9472 0.2679 0.2679 0.5925 0.5925 0.9641 0.9641 3.4605 3.4605 3.9149 3.9149 4.2223 4.2223 4.6134 4.6134 5.1712 5.1712 5.6821 5.6821 9.4695 9.4695 10.1166 10.1166 10.2318 10.2318 13.4960 13.4960 k = 0.3314-0.5073-0.9910 ( 2972 PWs) bands (ev): -25.7690 -25.7690 -10.8543 -10.8543 -10.5031 -10.5031 -8.4204 -8.4204 -7.4546 -7.4546 -7.1964 -7.1964 -1.2028 -1.2028 -0.9474 -0.9474 0.2646 0.2646 0.5914 0.5914 0.9640 0.9640 3.4592 3.4592 3.9221 3.9221 4.2543 4.2543 4.6034 4.6034 5.1582 5.1582 5.6735 5.6735 9.5165 9.5165 10.0864 10.0864 10.2010 10.2010 13.4825 13.4825 k = 0.3375-0.5165-1.0090 ( 2968 PWs) bands (ev): -25.7690 -25.7690 -10.8394 -10.8394 -10.5211 -10.5211 -8.4201 -8.4201 -7.4574 -7.4574 -7.1886 -7.1886 -1.2050 -1.2050 -0.9479 -0.9479 0.2610 0.2610 0.5901 0.5901 0.9641 0.9641 3.4551 3.4551 3.9292 3.9292 4.2879 4.2879 4.5941 4.5941 5.1449 5.1449 5.6636 5.6636 9.5452 9.5452 10.0684 10.0684 10.1856 10.1856 13.4691 13.4691 k = 0.3435-0.5258-1.0270 ( 2966 PWs) bands (ev): -25.7691 -25.7691 -10.8240 -10.8240 -10.5389 -10.5389 -8.4202 -8.4202 -7.4611 -7.4611 -7.1797 -7.1797 -1.2073 -1.2073 -0.9484 -0.9484 0.2571 0.2571 0.5886 0.5886 0.9643 0.9643 3.4485 3.4485 3.9361 3.9361 4.3227 4.3227 4.5857 4.5857 5.1314 5.1314 5.6524 5.6524 9.5489 9.5489 10.0645 10.0645 10.1900 10.1900 13.4557 13.4557 k = 0.6565-0.3769-0.9360 ( 2966 PWs) bands (ev): -25.7691 -25.7691 -10.8240 -10.8240 -10.5389 -10.5389 -8.4202 -8.4202 -7.4611 -7.4611 -7.1797 -7.1797 -1.2073 -1.2073 -0.9484 -0.9484 0.2571 0.2571 0.5886 0.5886 0.9643 0.9643 3.4485 3.4485 3.9361 3.9361 4.3227 4.3227 4.5857 4.5857 5.1314 5.1314 5.6524 5.6524 9.5489 9.5489 10.0645 10.0645 10.1900 10.1900 13.4557 13.4557 k = 0.6505-0.3567-0.9360 ( 2964 PWs) bands (ev): -25.7693 -25.7693 -10.8082 -10.8082 -10.5564 -10.5564 -8.4207 -8.4207 -7.4655 -7.4655 -7.1696 -7.1696 -1.2098 -1.2098 -0.9491 -0.9491 0.2530 0.2530 0.5871 0.5871 0.9647 0.9647 3.4398 3.4398 3.9428 3.9428 4.3584 4.3584 4.5782 4.5782 5.1177 5.1177 5.6400 5.6400 9.5282 9.5282 10.0635 10.0635 10.2246 10.2246 13.4422 13.4422 k = 0.6445-0.3365-0.9360 ( 2962 PWs) bands (ev): -25.7694 -25.7694 -10.7922 -10.7922 -10.5735 -10.5735 -8.4217 -8.4217 -7.4706 -7.4706 -7.1584 -7.1584 -1.2125 -1.2125 -0.9500 -0.9500 0.2487 0.2487 0.5854 0.5854 0.9653 0.9653 3.4295 3.4295 3.9493 3.9493 4.3946 4.3946 4.5717 4.5717 5.1040 5.1040 5.6264 5.6264 9.4901 9.4901 10.0569 10.0569 10.2904 10.2904 13.4284 13.4284 k = 0.6385-0.3162-0.9360 ( 2966 PWs) bands (ev): -25.7697 -25.7697 -10.7764 -10.7764 -10.5898 -10.5898 -8.4230 -8.4230 -7.4764 -7.4764 -7.1464 -7.1464 -1.2153 -1.2153 -0.9509 -0.9509 0.2443 0.2443 0.5835 0.5835 0.9662 0.9662 3.4177 3.4177 3.9556 3.9556 4.4310 4.4310 4.5664 4.5664 5.0905 5.0905 5.6116 5.6116 9.4418 9.4418 10.0461 10.0461 10.3785 10.3785 13.4140 13.4140 k = 0.6324-0.2960-0.9360 ( 2964 PWs) bands (ev): -25.7700 -25.7700 -10.7610 -10.7610 -10.6049 -10.6049 -8.4248 -8.4248 -7.4826 -7.4826 -7.1337 -7.1337 -1.2182 -1.2182 -0.9520 -0.9520 0.2397 0.2397 0.5815 0.5815 0.9673 0.9673 3.4048 3.4048 3.9616 3.9616 4.4670 4.4670 4.5625 4.5625 5.0771 5.0771 5.5957 5.5957 9.3883 9.3883 10.0333 10.0333 10.4813 10.4813 13.3990 13.3990 k = 0.6264-0.2758-0.9360 ( 2960 PWs) bands (ev): -25.7703 -25.7703 -10.7469 -10.7469 -10.6181 -10.6181 -8.4270 -8.4270 -7.4893 -7.4893 -7.1203 -7.1203 -1.2212 -1.2212 -0.9532 -0.9532 0.2350 0.2350 0.5794 0.5794 0.9686 0.9686 3.3910 3.3910 3.9674 3.9674 4.5012 4.5012 4.5613 4.5613 5.0642 5.0642 5.5788 5.5788 9.3328 9.3328 10.0196 10.0196 10.5939 10.5939 13.3833 13.3833 k = 0.6204-0.2556-0.9360 ( 2960 PWs) bands (ev): -25.7706 -25.7706 -10.7352 -10.7352 -10.6283 -10.6283 -8.4296 -8.4296 -7.4963 -7.4963 -7.1066 -7.1066 -1.2243 -1.2243 -0.9546 -0.9546 0.2303 0.2303 0.5771 0.5771 0.9702 0.9702 3.3766 3.3766 3.9730 3.9730 4.5282 4.5282 4.5678 4.5678 5.0517 5.0517 5.5609 5.5609 9.2769 9.2769 10.0058 10.0058 10.7134 10.7134 13.3668 13.3668 k = 0.6144-0.2354-0.9360 ( 2962 PWs) bands (ev): -25.7710 -25.7710 -10.7278 -10.7278 -10.6337 -10.6337 -8.4326 -8.4326 -7.5035 -7.5035 -7.0925 -7.0925 -1.2274 -1.2274 -0.9560 -0.9560 0.2255 0.2255 0.5748 0.5748 0.9720 0.9720 3.3618 3.3618 3.9783 3.9783 4.5392 4.5392 4.5906 4.5906 5.0398 5.0398 5.5422 5.5422 9.2220 9.2220 9.9920 9.9920 10.8380 10.8380 13.3497 13.3497 k = 0.6084-0.2151-0.9360 ( 2964 PWs) bands (ev): -25.7714 -25.7714 -10.7264 -10.7264 -10.6326 -10.6326 -8.4358 -8.4358 -7.5109 -7.5109 -7.0782 -7.0782 -1.2306 -1.2306 -0.9575 -0.9575 0.2208 0.2208 0.5723 0.5723 0.9740 0.9740 3.3467 3.3467 3.9833 3.9833 4.5416 4.5416 4.6219 4.6219 5.0288 5.0288 5.5226 5.5226 9.1685 9.1685 9.9783 9.9783 10.9661 10.9661 13.3321 13.3321 k = 0.6023-0.1949-0.9360 ( 2966 PWs) bands (ev): -25.7719 -25.7719 -10.7307 -10.7307 -10.6253 -10.6253 -8.4394 -8.4394 -7.5184 -7.5184 -7.0640 -7.0640 -1.2337 -1.2337 -0.9591 -0.9591 0.2160 0.2160 0.5698 0.5698 0.9761 0.9761 3.3316 3.3316 3.9882 3.9882 4.5425 4.5425 4.6543 4.6543 5.0188 5.0188 5.5025 5.5025 9.1170 9.1170 9.9650 9.9650 11.0965 11.0965 13.3144 13.3144 k = 0.5963-0.1747-0.9360 ( 2962 PWs) bands (ev): -25.7723 -25.7723 -10.7388 -10.7388 -10.6138 -10.6138 -8.4431 -8.4431 -7.5258 -7.5258 -7.0498 -7.0498 -1.2369 -1.2369 -0.9608 -0.9608 0.2113 0.2113 0.5672 0.5672 0.9785 0.9785 3.3167 3.3167 3.9927 3.9927 4.5435 4.5435 4.6858 4.6858 5.0102 5.0102 5.4818 5.4818 9.0678 9.0678 9.9521 9.9521 11.2281 11.2281 13.2970 13.2970 k = 0.5903-0.1545-0.9360 ( 2964 PWs) bands (ev): -25.7727 -25.7727 -10.7488 -10.7488 -10.6000 -10.6000 -8.4471 -8.4471 -7.5332 -7.5332 -7.0359 -7.0359 -1.2400 -1.2400 -0.9625 -0.9625 0.2068 0.2068 0.5646 0.5646 0.9810 0.9810 3.3020 3.3020 3.9970 3.9970 4.5451 4.5451 4.7154 4.7154 5.0032 5.0032 5.4607 5.4607 9.0211 9.0211 9.9396 9.9396 11.3595 11.3595 13.2804 13.2804 k = 0.5843-0.1342-0.9360 ( 2960 PWs) bands (ev): -25.7732 -25.7732 -10.7595 -10.7595 -10.5852 -10.5852 -8.4512 -8.4512 -7.5404 -7.5404 -7.0223 -7.0223 -1.2430 -1.2430 -0.9642 -0.9642 0.2023 0.2023 0.5620 0.5620 0.9835 0.9835 3.2877 3.2877 4.0010 4.0010 4.5473 4.5473 4.7425 4.7425 4.9984 4.9984 5.4395 5.4395 8.9771 8.9771 9.9276 9.9276 11.4896 11.4896 13.2655 13.2655 k = 0.5783-0.1140-0.9360 ( 2968 PWs) bands (ev): -25.7736 -25.7736 -10.7703 -10.7703 -10.5702 -10.5702 -8.4554 -8.4554 -7.5474 -7.5474 -7.0091 -7.0091 -1.2460 -1.2460 -0.9659 -0.9659 0.1980 0.1980 0.5595 0.5595 0.9862 0.9862 3.2739 3.2739 4.0047 4.0047 4.5501 4.5501 4.7663 4.7663 4.9961 4.9961 5.4182 5.4182 8.9358 8.9358 9.9161 9.9161 11.6169 11.6169 13.2529 13.2529 k = 0.5722-0.0938-0.9360 ( 2962 PWs) bands (ev): -25.7740 -25.7740 -10.7809 -10.7809 -10.5553 -10.5553 -8.4596 -8.4596 -7.5541 -7.5541 -6.9966 -6.9966 -1.2489 -1.2489 -0.9676 -0.9676 0.1939 0.1939 0.5570 0.5570 0.9888 0.9888 3.2608 3.2608 4.0082 4.0082 4.5536 4.5536 4.7861 4.7861 4.9969 4.9969 5.3971 5.3971 8.8974 8.8974 9.9053 9.9053 11.7400 11.7400 13.2438 13.2438 k = 0.5662-0.0736-0.9360 ( 2960 PWs) bands (ev): -25.7744 -25.7744 -10.7910 -10.7910 -10.5408 -10.5408 -8.4637 -8.4637 -7.5604 -7.5604 -6.9847 -6.9847 -1.2516 -1.2516 -0.9693 -0.9693 0.1900 0.1900 0.5546 0.5546 0.9914 0.9914 3.2484 3.2484 4.0114 4.0114 4.5576 4.5576 4.8016 4.8016 5.0010 5.0010 5.3763 5.3763 8.8619 8.8619 9.8952 9.8952 11.8570 11.8570 13.2390 13.2390 k = 0.5602-0.0534-0.9360 ( 2958 PWs) bands (ev): -25.7748 -25.7748 -10.8005 -10.8005 -10.5270 -10.5270 -8.4677 -8.4677 -7.5664 -7.5664 -6.9735 -6.9735 -1.2542 -1.2542 -0.9709 -0.9709 0.1863 0.1863 0.5523 0.5523 0.9939 0.9939 3.2369 3.2369 4.0143 4.0143 4.5620 4.5620 4.8127 4.8127 5.0083 5.0083 5.3561 5.3561 8.8294 8.8294 9.8857 9.8857 11.9663 11.9663 13.2395 13.2395 k = 0.5542-0.0331-0.9360 ( 2956 PWs) bands (ev): -25.7752 -25.7752 -10.8092 -10.8092 -10.5140 -10.5140 -8.4716 -8.4716 -7.5720 -7.5720 -6.9631 -6.9631 -1.2566 -1.2566 -0.9724 -0.9724 0.1829 0.1829 0.5502 0.5502 0.9964 0.9964 3.2262 3.2262 4.0169 4.0169 4.5668 4.5668 4.8200 4.8200 5.0182 5.0182 5.3368 5.3368 8.7999 8.7999 9.8770 9.8770 12.0660 12.0660 13.2463 13.2463 k = 0.5482-0.0129-0.9360 ( 2950 PWs) bands (ev): -25.7755 -25.7755 -10.8172 -10.8172 -10.5020 -10.5020 -8.4753 -8.4753 -7.5771 -7.5771 -6.9537 -6.9537 -1.2588 -1.2588 -0.9738 -0.9738 0.1798 0.1798 0.5483 0.5483 0.9987 0.9987 3.2165 3.2165 4.0192 4.0192 4.5718 4.5718 4.8241 4.8241 5.0298 5.0298 5.3185 5.3185 8.7735 8.7735 9.8691 9.8691 12.1543 12.1543 13.2598 13.2598 k = 0.5421 0.0073-0.9360 ( 2950 PWs) bands (ev): -25.7758 -25.7758 -10.8243 -10.8243 -10.4911 -10.4911 -8.4787 -8.4787 -7.5816 -7.5816 -6.9452 -6.9452 -1.2608 -1.2608 -0.9751 -0.9751 0.1770 0.1770 0.5465 0.5465 1.0008 1.0008 3.2078 3.2078 4.0212 4.0212 4.5769 4.5769 4.8259 4.8259 5.0420 5.0420 5.3015 5.3015 8.7500 8.7500 9.8620 9.8620 12.2300 12.2300 13.2800 13.2800 k = 0.5361 0.0275-0.9360 ( 2954 PWs) bands (ev): -25.7761 -25.7761 -10.8306 -10.8306 -10.4814 -10.4814 -8.4818 -8.4818 -7.5857 -7.5857 -6.9377 -6.9377 -1.2626 -1.2626 -0.9763 -0.9763 0.1746 0.1746 0.5449 0.5449 1.0027 1.0027 3.2002 3.2002 4.0230 4.0230 4.5818 4.5818 4.8263 4.8263 5.0541 5.0541 5.2860 5.2860 8.7297 8.7297 9.8558 9.8558 12.2925 12.2925 13.3060 13.3060 k = 0.5301 0.0477-0.9360 ( 2960 PWs) bands (ev): -25.7763 -25.7763 -10.8359 -10.8359 -10.4731 -10.4731 -8.4844 -8.4844 -7.5891 -7.5891 -6.9313 -6.9313 -1.2641 -1.2641 -0.9773 -0.9773 0.1724 0.1724 0.5436 0.5436 1.0044 1.0044 3.1937 3.1937 4.0245 4.0245 4.5864 4.5864 4.8259 4.8259 5.0653 5.0653 5.2724 5.2724 8.7125 8.7125 9.8504 9.8504 12.3422 12.3422 13.3358 13.3358 k = 0.5241 0.0680-0.9360 ( 2964 PWs) bands (ev): -25.7765 -25.7765 -10.8403 -10.8403 -10.4662 -10.4662 -8.4867 -8.4867 -7.5920 -7.5920 -6.9260 -6.9260 -1.2654 -1.2654 -0.9782 -0.9782 0.1707 0.1707 0.5425 0.5425 1.0058 1.0058 3.1883 3.1883 4.0257 4.0257 4.5905 4.5905 4.8250 4.8250 5.0750 5.0750 5.2609 5.2609 8.6984 8.6984 9.8460 9.8460 12.3800 12.3800 13.3666 13.3666 k = 0.5181 0.0882-0.9360 ( 2964 PWs) bands (ev): -25.7766 -25.7766 -10.8437 -10.8437 -10.4607 -10.4607 -8.4885 -8.4885 -7.5942 -7.5942 -6.9218 -6.9218 -1.2664 -1.2664 -0.9788 -0.9788 0.1693 0.1693 0.5416 0.5416 1.0069 1.0069 3.1841 3.1841 4.0266 4.0266 4.5939 4.5939 4.8241 4.8241 5.0829 5.0829 5.2516 5.2516 8.6874 8.6874 9.8426 9.8426 12.4073 12.4073 13.3953 13.3953 k = 0.5120 0.1084-0.9360 ( 2962 PWs) bands (ev): -25.7768 -25.7768 -10.8462 -10.8462 -10.4568 -10.4568 -8.4898 -8.4898 -7.5959 -7.5959 -6.9188 -6.9188 -1.2671 -1.2671 -0.9793 -0.9793 0.1683 0.1683 0.5410 0.5410 1.0077 1.0077 3.1811 3.1811 4.0273 4.0273 4.5965 4.5965 4.8233 4.8233 5.0888 5.0888 5.2448 5.2448 8.6796 8.6796 9.8401 9.8401 12.4256 12.4256 13.4187 13.4187 k = 0.5060 0.1286-0.9360 ( 2962 PWs) bands (ev): -25.7768 -25.7768 -10.8476 -10.8476 -10.4544 -10.4544 -8.4906 -8.4906 -7.5968 -7.5968 -6.9170 -6.9170 -1.2675 -1.2675 -0.9796 -0.9796 0.1677 0.1677 0.5406 0.5406 1.0082 1.0082 3.1793 3.1793 4.0277 4.0277 4.5981 4.5981 4.8228 4.8228 5.0923 5.0923 5.2407 5.2407 8.6749 8.6749 9.8386 9.8386 12.4360 12.4360 13.4339 13.4339 k = 0.5000 0.1489-0.9360 ( 2956 PWs) bands (ev): -25.7768 -25.7768 -10.8481 -10.8481 -10.4536 -10.4536 -8.4909 -8.4909 -7.5972 -7.5972 -6.9164 -6.9164 -1.2677 -1.2677 -0.9797 -0.9797 0.1675 0.1675 0.5405 0.5405 1.0084 1.0084 3.1787 3.1787 4.0278 4.0278 4.5987 4.5987 4.8226 4.8226 5.0935 5.0935 5.2393 5.2393 8.6733 8.6733 9.8381 9.8381 12.4394 12.4394 13.4393 13.4393 k = 0.5000 0.1489-0.9360 ( 2956 PWs) bands (ev): -25.7768 -25.7768 -10.8481 -10.8481 -10.4536 -10.4536 -8.4909 -8.4909 -7.5972 -7.5972 -6.9164 -6.9164 -1.2677 -1.2677 -0.9797 -0.9797 0.1675 0.1675 0.5405 0.5405 1.0084 1.0084 3.1787 3.1787 4.0278 4.0278 4.5987 4.5987 4.8226 4.8226 5.0935 5.0935 5.2393 5.2393 8.6733 8.6733 9.8381 9.8381 12.4394 12.4394 13.4393 13.4393 k = 0.5174 0.1540-0.9259 ( 2956 PWs) bands (ev): -25.7769 -25.7769 -10.8498 -10.8498 -10.4515 -10.4515 -8.4909 -8.4909 -7.5971 -7.5971 -6.9171 -6.9171 -1.2673 -1.2673 -0.9797 -0.9797 0.1681 0.1681 0.5406 0.5406 1.0084 1.0084 3.1781 3.1781 4.0267 4.0267 4.5874 4.5874 4.8347 4.8347 5.0831 5.0831 5.2497 5.2497 8.6715 8.6715 9.8401 9.8401 12.4391 12.4391 13.4408 13.4408 k = 0.5348 0.1592-0.9158 ( 2954 PWs) bands (ev): -25.7769 -25.7769 -10.8546 -10.8546 -10.4453 -10.4453 -8.4910 -8.4910 -7.5970 -7.5970 -6.9191 -6.9191 -1.2661 -1.2661 -0.9795 -0.9795 0.1699 0.1699 0.5411 0.5411 1.0084 1.0084 3.1765 3.1765 4.0233 4.0233 4.5594 4.5594 4.8653 4.8653 5.0577 5.0577 5.2750 5.2750 8.6662 8.6662 9.8460 9.8460 12.4382 12.4382 13.4452 13.4452 k = 0.5522 0.1644-0.9056 ( 2952 PWs) bands (ev): -25.7769 -25.7769 -10.8623 -10.8623 -10.4353 -10.4353 -8.4913 -8.4913 -7.5969 -7.5969 -6.9226 -6.9226 -1.2641 -1.2641 -0.9793 -0.9793 0.1730 0.1730 0.5420 0.5420 1.0085 1.0085 3.1738 3.1738 4.0174 4.0174 4.5235 4.5235 4.9056 4.9056 5.0256 5.0256 5.3070 5.3070 8.6576 8.6576 9.8555 9.8555 12.4366 12.4366 13.4525 13.4525 k = 0.5696 0.1696-0.8955 ( 2952 PWs) bands (ev): -25.7770 -25.7770 -10.8723 -10.8723 -10.4221 -10.4221 -8.4916 -8.4916 -7.5966 -7.5966 -6.9273 -6.9273 -1.2614 -1.2614 -0.9789 -0.9789 0.1772 0.1772 0.5432 0.5432 1.0086 1.0086 3.1701 3.1701 4.0087 4.0087 4.4854 4.4854 4.9493 4.9493 4.9917 4.9917 5.3415 5.3415 8.6463 8.6463 9.8682 9.8682 12.4344 12.4344 13.4625 13.4625 k = 0.5870 0.1747-0.8854 ( 2948 PWs) bands (ev): -25.7770 -25.7770 -10.8842 -10.8842 -10.4062 -10.4062 -8.4920 -8.4920 -7.5963 -7.5963 -6.9332 -6.9332 -1.2579 -1.2579 -0.9785 -0.9785 0.1825 0.1825 0.5447 0.5447 1.0087 1.0087 3.1654 3.1654 3.9967 3.9967 4.4483 4.4483 4.9521 4.9521 4.9996 4.9996 5.3769 5.3769 8.6328 8.6328 9.8837 9.8837 12.4317 12.4317 13.4747 13.4747 k = 0.6043 0.1799-0.8753 ( 2946 PWs) bands (ev): -25.7771 -25.7771 -10.8975 -10.8975 -10.3882 -10.3882 -8.4924 -8.4924 -7.5960 -7.5960 -6.9404 -6.9404 -1.2539 -1.2539 -0.9780 -0.9780 0.1888 0.1888 0.5465 0.5465 1.0088 1.0088 3.1598 3.1598 3.9810 3.9810 4.4140 4.4140 4.9170 4.9170 5.0455 5.0455 5.4123 5.4123 8.6176 8.6176 9.9014 9.9014 12.4284 12.4284 13.4887 13.4887 k = 0.6217 0.1851-0.8652 ( 2954 PWs) bands (ev): -25.7772 -25.7772 -10.9116 -10.9116 -10.3685 -10.3685 -8.4930 -8.4930 -7.5955 -7.5955 -6.9486 -6.9486 -1.2493 -1.2493 -0.9774 -0.9774 0.1960 0.1960 0.5486 0.5486 1.0089 1.0089 3.1532 3.1532 3.9612 3.9612 4.3835 4.3835 4.8815 4.8815 5.0917 5.0917 5.4470 5.4470 8.6016 8.6016 9.9207 9.9207 12.4247 12.4247 13.5042 13.5042 k = 0.6391 0.1903-0.8551 ( 2953 PWs) bands (ev): -25.7773 -25.7773 -10.9263 -10.9263 -10.3476 -10.3476 -8.4936 -8.4936 -7.5950 -7.5950 -6.9578 -6.9578 -1.2442 -1.2442 -0.9767 -0.9767 0.2042 0.2042 0.5510 0.5510 1.0091 1.0091 3.1459 3.1459 3.9375 3.9375 4.3576 4.3576 4.8468 4.8468 5.1368 5.1368 5.4808 5.4808 8.5853 8.5853 9.9412 9.9412 12.4205 12.4205 13.5206 13.5206 k = 0.6565 0.1954-0.8450 ( 2954 PWs) bands (ev): -25.7774 -25.7774 -10.9411 -10.9411 -10.3259 -10.3259 -8.4942 -8.4942 -7.5944 -7.5944 -6.9678 -6.9678 -1.2387 -1.2387 -0.9760 -0.9760 0.2130 0.2130 0.5536 0.5536 1.0092 1.0092 3.1379 3.1379 3.9099 3.9099 4.3362 4.3362 4.8131 4.8131 5.1803 5.1803 5.5134 5.5134 8.5695 8.5695 9.9621 9.9621 12.4161 12.4161 13.5374 13.5374 k = 0.6565 0.1954-0.8450 ( 2954 PWs) bands (ev): -25.7774 -25.7774 -10.9411 -10.9411 -10.3259 -10.3259 -8.4942 -8.4942 -7.5944 -7.5944 -6.9678 -6.9678 -1.2387 -1.2387 -0.9760 -0.9760 0.2130 0.2130 0.5536 0.5536 1.0092 1.0092 3.1379 3.1379 3.9099 3.9099 4.3362 4.3362 4.8131 4.8131 5.1803 5.1803 5.5134 5.5134 8.5695 8.5695 9.9621 9.9621 12.4161 12.4161 13.5374 13.5374 k = 0.6530 0.1944-0.8242 ( 2960 PWs) bands (ev): -25.7779 -25.7779 -10.9355 -10.9355 -10.3318 -10.3318 -8.4910 -8.4910 -7.5915 -7.5915 -6.9698 -6.9698 -1.2381 -1.2381 -0.9760 -0.9760 0.2145 0.2145 0.5548 0.5548 1.0078 1.0078 3.1068 3.1068 3.8983 3.8983 4.3710 4.3710 4.7981 4.7981 5.1731 5.1731 5.5279 5.5279 8.5551 8.5551 10.0119 10.0119 12.4158 12.4158 13.5038 13.5038 k = 0.6496 0.1934-0.8034 ( 2953 PWs) bands (ev): -25.7784 -25.7784 -10.9289 -10.9289 -10.3384 -10.3384 -8.4870 -8.4870 -7.5879 -7.5879 -6.9725 -6.9725 -1.2374 -1.2374 -0.9759 -0.9759 0.2161 0.2161 0.5564 0.5564 1.0060 1.0060 3.0705 3.0705 3.8849 3.8849 4.4070 4.4070 4.7833 4.7833 5.1672 5.1672 5.5422 5.5422 8.5426 8.5426 10.0697 10.0697 12.4162 12.4162 13.4660 13.4660 k = 0.6461 0.1923-0.7826 ( 2957 PWs) bands (ev): -25.7792 -25.7792 -10.9213 -10.9213 -10.3457 -10.3457 -8.4823 -8.4823 -7.5836 -7.5836 -6.9759 -6.9759 -1.2366 -1.2366 -0.9758 -0.9758 0.2180 0.2180 0.5584 0.5584 1.0037 1.0037 3.0298 3.0298 3.8698 3.8698 4.4434 4.4434 4.7685 4.7685 5.1624 5.1624 5.5561 5.5561 8.5322 8.5322 10.1350 10.1350 12.4171 12.4171 13.4241 13.4241 k = 0.6426 0.1913-0.7618 ( 2963 PWs) bands (ev): -25.7800 -25.7800 -10.9127 -10.9127 -10.3536 -10.3536 -8.4770 -8.4770 -7.5786 -7.5786 -6.9800 -6.9800 -1.2357 -1.2357 -0.9757 -0.9757 0.2200 0.2200 0.5608 0.5608 1.0011 1.0011 2.9851 2.9851 3.8532 3.8532 4.4796 4.4796 4.7539 4.7539 5.1588 5.1588 5.5698 5.5698 8.5243 8.5243 10.2074 10.2074 12.4181 12.4181 13.3788 13.3788 k = 0.6391 0.1903-0.7410 ( 2963 PWs) bands (ev): -25.7810 -25.7810 -10.9032 -10.9032 -10.3620 -10.3620 -8.4711 -8.4711 -7.5729 -7.5729 -6.9848 -6.9848 -1.2348 -1.2348 -0.9755 -0.9755 0.2223 0.2223 0.5635 0.5635 0.9982 0.9982 2.9372 2.9372 3.8352 3.8352 4.5147 4.5147 4.7395 4.7395 5.1564 5.1564 5.5833 5.5833 8.5191 8.5191 10.2865 10.2865 12.4191 12.4191 13.3306 13.3306 k = 0.6357 0.1892-0.7202 ( 2963 PWs) bands (ev): -25.7820 -25.7820 -10.8928 -10.8928 -10.3709 -10.3709 -8.4647 -8.4647 -7.5665 -7.5665 -6.9903 -6.9903 -1.2338 -1.2338 -0.9754 -0.9754 0.2248 0.2248 0.5665 0.5665 0.9949 0.9949 2.8866 2.8866 3.8160 3.8160 4.5482 4.5482 4.7256 4.7256 5.1550 5.1550 5.5966 5.5966 8.5167 8.5167 10.3720 10.3720 12.4196 12.4196 13.2802 13.2802 k = 0.6322 0.1882-0.6994 ( 2951 PWs) bands (ev): -25.7832 -25.7832 -10.8817 -10.8817 -10.3801 -10.3801 -8.4579 -8.4579 -7.5595 -7.5595 -6.9965 -6.9965 -1.2327 -1.2327 -0.9752 -0.9752 0.2275 0.2275 0.5699 0.5699 0.9913 0.9913 2.8336 2.8336 3.7958 3.7958 4.5792 4.5792 4.7125 4.7125 5.1546 5.1546 5.6096 5.6096 8.5173 8.5173 10.4636 10.4636 12.4192 12.4192 13.2286 13.2286 k = 0.6287 0.1872-0.6786 ( 2949 PWs) bands (ev): -25.7845 -25.7845 -10.8699 -10.8699 -10.3894 -10.3894 -8.4508 -8.4508 -7.5518 -7.5518 -7.0033 -7.0033 -1.2315 -1.2315 -0.9749 -0.9749 0.2304 0.2304 0.5735 0.5735 0.9874 0.9874 2.7789 2.7789 3.7746 3.7746 4.6061 4.6061 4.7012 4.7012 5.1553 5.1553 5.6224 5.6224 8.5207 8.5207 10.5611 10.5611 12.4170 12.4170 13.1766 13.1766 k = 0.6252 0.1861-0.6578 ( 2953 PWs) bands (ev): -25.7859 -25.7859 -10.8575 -10.8575 -10.3989 -10.3989 -8.4434 -8.4434 -7.5435 -7.5435 -7.0107 -7.0107 -1.2303 -1.2303 -0.9747 -0.9747 0.2335 0.2335 0.5775 0.5775 0.9833 0.9833 2.7227 2.7227 3.7527 3.7527 4.6257 4.6257 4.6947 4.6947 5.1572 5.1572 5.6351 5.6351 8.5270 8.5270 10.6642 10.6642 12.4123 12.4123 13.1257 13.1257 k = 0.6217 0.1851-0.6370 ( 2952 PWs) bands (ev): -25.7874 -25.7874 -10.8447 -10.8447 -10.4082 -10.4082 -8.4358 -8.4358 -7.5347 -7.5347 -7.0187 -7.0187 -1.2290 -1.2290 -0.9745 -0.9745 0.2367 0.2367 0.5818 0.5818 0.9789 0.9789 2.6656 2.6656 3.7302 3.7302 4.6327 4.6327 4.6978 4.6978 5.1604 5.1604 5.6476 5.6476 8.5360 8.5360 10.7725 10.7725 12.4040 12.4040 13.0773 13.0773 k = 0.6183 0.1841-0.6162 ( 2950 PWs) bands (ev): -25.7890 -25.7890 -10.8316 -10.8316 -10.4172 -10.4172 -8.4281 -8.4281 -7.5253 -7.5253 -7.0272 -7.0272 -1.2277 -1.2277 -0.9744 -0.9744 0.2402 0.2402 0.5863 0.5863 0.9743 0.9743 2.6077 2.6077 3.7071 3.7071 4.6276 4.6276 4.7097 4.7097 5.1653 5.1653 5.6600 5.6600 8.5477 8.5477 10.8858 10.8858 12.3909 12.3909 13.0330 13.0330 k = 0.6148 0.1830-0.5954 ( 2948 PWs) bands (ev): -25.7906 -25.7906 -10.8183 -10.8183 -10.4257 -10.4257 -8.4204 -8.4204 -7.5154 -7.5154 -7.0362 -7.0362 -1.2263 -1.2263 -0.9742 -0.9742 0.2439 0.2439 0.5911 0.5911 0.9695 0.9695 2.5495 2.5495 3.6836 3.6836 4.6166 4.6166 4.7236 4.7236 5.1722 5.1722 5.6722 5.6722 8.5619 8.5619 11.0037 11.0037 12.3716 12.3716 12.9945 12.9945 k = 0.6113 0.1820-0.5746 ( 2948 PWs) bands (ev): -25.7924 -25.7924 -10.8052 -10.8052 -10.4335 -10.4335 -8.4127 -8.4127 -7.5051 -7.5051 -7.0456 -7.0456 -1.2248 -1.2248 -0.9741 -0.9741 0.2477 0.2477 0.5961 0.5961 0.9646 0.9646 2.4913 2.4913 3.6597 3.6597 4.6033 4.6033 4.7355 4.7355 5.1814 5.1814 5.6843 5.6843 8.5784 8.5784 11.1258 11.1258 12.3452 12.3452 12.9635 12.9635 k = 0.6078 0.1810-0.5538 ( 2944 PWs) bands (ev): -25.7942 -25.7942 -10.7925 -10.7925 -10.4403 -10.4403 -8.4052 -8.4052 -7.4943 -7.4943 -7.0555 -7.0555 -1.2233 -1.2233 -0.9740 -0.9740 0.2517 0.2517 0.6013 0.6013 0.9596 0.9596 2.4333 2.4333 3.6356 3.6356 4.5889 4.5889 4.7440 4.7440 5.1932 5.1932 5.6963 5.6963 8.5970 8.5970 11.2515 11.2515 12.3114 12.3114 12.9408 12.9408 k = 0.6043 0.1799-0.5330 ( 2944 PWs) bands (ev): -25.7960 -25.7960 -10.7804 -10.7804 -10.4458 -10.4458 -8.3979 -8.3979 -7.4832 -7.4832 -7.0657 -7.0657 -1.2218 -1.2218 -0.9739 -0.9739 0.2558 0.2558 0.6068 0.6068 0.9545 0.9545 2.3758 2.3758 3.6113 3.6113 4.5740 4.5740 4.7483 4.7483 5.2079 5.2079 5.7082 5.7082 8.6174 8.6174 11.3798 11.3798 12.2707 12.2707 12.9268 12.9268 k = 0.6009 0.1789-0.5122 ( 2946 PWs) bands (ev): -25.7979 -25.7979 -10.7693 -10.7693 -10.4496 -10.4496 -8.3908 -8.3908 -7.4717 -7.4717 -7.0762 -7.0762 -1.2202 -1.2202 -0.9739 -0.9739 0.2600 0.2600 0.6123 0.6123 0.9494 0.9494 2.3191 2.3191 3.5869 3.5869 4.5588 4.5588 4.7483 4.7483 5.2253 5.2253 5.7200 5.7200 8.6394 8.6394 11.5090 11.5090 12.2253 12.2253 12.9211 12.9211 k = 0.5974 0.1778-0.4914 ( 2952 PWs) bands (ev): -25.7999 -25.7999 -10.7597 -10.7597 -10.4513 -10.4513 -8.3841 -8.3841 -7.4600 -7.4600 -7.0869 -7.0869 -1.2187 -1.2187 -0.9740 -0.9740 0.2644 0.2644 0.6180 0.6180 0.9442 0.9442 2.2633 2.2633 3.5624 3.5624 4.5434 4.5434 4.7441 4.7441 5.2455 5.2455 5.7318 5.7318 8.6628 8.6628 11.6357 11.6357 12.1796 12.1796 12.9229 12.9229 k = 0.5939 0.1768-0.4706 ( 2953 PWs) bands (ev): -25.8019 -25.8019 -10.7517 -10.7517 -10.4508 -10.4508 -8.3777 -8.3777 -7.4482 -7.4482 -7.0978 -7.0978 -1.2171 -1.2171 -0.9741 -0.9741 0.2688 0.2688 0.6239 0.6239 0.9391 0.9391 2.2087 2.2087 3.5378 3.5378 4.5280 4.5280 4.7359 4.7359 5.2683 5.2683 5.7434 5.7434 8.6874 8.6874 11.7500 11.7500 12.1441 12.1441 12.9313 12.9313 k = 0.5904 0.1758-0.4498 ( 2953 PWs) bands (ev): -25.8039 -25.8039 -10.7458 -10.7458 -10.4476 -10.4476 -8.3718 -8.3718 -7.4362 -7.4362 -7.1087 -7.1087 -1.2155 -1.2155 -0.9743 -0.9743 0.2733 0.2733 0.6298 0.6298 0.9339 0.9339 2.1555 2.1555 3.5134 3.5134 4.5125 4.5125 4.7243 4.7243 5.2932 5.2932 5.7549 5.7549 8.7128 8.7128 11.8258 11.8258 12.1457 12.1457 12.9452 12.9452 k = 0.5870 0.1747-0.4290 ( 2949 PWs) bands (ev): -25.8059 -25.8059 -10.7419 -10.7419 -10.4417 -10.4417 -8.3665 -8.3665 -7.4242 -7.4242 -7.1196 -7.1196 -1.2139 -1.2139 -0.9745 -0.9745 0.2779 0.2779 0.6357 0.6357 0.9288 0.9288 2.1038 2.1038 3.4891 3.4891 4.4970 4.4970 4.7095 4.7095 5.3200 5.3200 5.7663 5.7663 8.7390 8.7390 11.8335 11.8335 12.2149 12.2149 12.9641 12.9641 k = 0.5835 0.1737-0.4082 ( 2949 PWs) bands (ev): -25.8079 -25.8079 -10.7402 -10.7402 -10.4331 -10.4331 -8.3616 -8.3616 -7.4123 -7.4123 -7.1304 -7.1304 -1.2124 -1.2124 -0.9749 -0.9749 0.2824 0.2824 0.6417 0.6417 0.9238 0.9238 2.0539 2.0539 3.4650 3.4650 4.4815 4.4815 4.6920 4.6920 5.3485 5.3485 5.7776 5.7776 8.7656 8.7656 11.7929 11.7929 12.3321 12.3321 12.9873 12.9873 k = 0.5800 0.1727-0.3874 ( 2947 PWs) bands (ev): -25.8100 -25.8100 -10.7406 -10.7406 -10.4219 -10.4219 -8.3574 -8.3574 -7.4006 -7.4006 -7.1409 -7.1409 -1.2109 -1.2109 -0.9753 -0.9753 0.2870 0.2870 0.6477 0.6477 0.9189 0.9189 2.0057 2.0057 3.4411 3.4411 4.4662 4.4662 4.6724 4.6724 5.3781 5.3781 5.7888 5.7888 8.7925 8.7925 11.7326 11.7326 12.4688 12.4688 13.0144 13.0144 k = 0.5765 0.1716-0.3666 ( 2952 PWs) bands (ev): -25.8120 -25.8120 -10.7427 -10.7427 -10.4085 -10.4085 -8.3537 -8.3537 -7.3891 -7.3891 -7.1511 -7.1511 -1.2094 -1.2094 -0.9757 -0.9757 0.2916 0.2916 0.6537 0.6537 0.9141 0.9141 1.9594 1.9594 3.4175 3.4175 4.4510 4.4510 4.6509 4.6509 5.4088 5.4088 5.7999 5.7999 8.8194 8.8194 11.6644 11.6644 12.6131 12.6131 13.0453 13.0453 k = 0.5730 0.1706-0.3458 ( 2950 PWs) bands (ev): -25.8140 -25.8140 -10.7463 -10.7463 -10.3931 -10.3931 -8.3507 -8.3507 -7.3781 -7.3781 -7.1608 -7.1608 -1.2080 -1.2080 -0.9762 -0.9762 0.2961 0.2961 0.6596 0.6596 0.9094 0.9094 1.9152 1.9152 3.3944 3.3944 4.4360 4.4360 4.6280 4.6280 5.4401 5.4401 5.8109 5.8109 8.8463 8.8463 11.5926 11.5926 12.7601 12.7601 13.0799 13.0799 k = 0.5696 0.1696-0.3250 ( 2952 PWs) bands (ev): -25.8160 -25.8160 -10.7510 -10.7510 -10.3762 -10.3762 -8.3484 -8.3484 -7.3677 -7.3677 -7.1699 -7.1699 -1.2067 -1.2067 -0.9768 -0.9768 0.3005 0.3005 0.6654 0.6654 0.9049 0.9049 1.8731 1.8731 3.3717 3.3717 4.4213 4.4213 4.6040 4.6040 5.4719 5.4719 5.8217 5.8217 8.8728 8.8728 11.5193 11.5193 12.9063 12.9063 13.1193 13.1193 k = 0.5661 0.1685-0.3042 ( 2948 PWs) bands (ev): -25.8179 -25.8179 -10.7567 -10.7567 -10.3581 -10.3581 -8.3466 -8.3466 -7.3581 -7.3581 -7.1781 -7.1781 -1.2054 -1.2054 -0.9775 -0.9775 0.3049 0.3049 0.6712 0.6712 0.9005 0.9005 1.8333 1.8333 3.3495 3.3495 4.4068 4.4068 4.5793 4.5793 5.5039 5.5039 5.8324 5.8324 8.8989 8.8989 11.4456 11.4456 13.0452 13.0452 13.1679 13.1679 k = 0.5626 0.1675-0.2834 ( 2947 PWs) bands (ev): -25.8198 -25.8198 -10.7630 -10.7630 -10.3391 -10.3391 -8.3456 -8.3456 -7.3494 -7.3494 -7.1852 -7.1852 -1.2042 -1.2042 -0.9781 -0.9781 0.3091 0.3091 0.6767 0.6767 0.8963 0.8963 1.7956 1.7956 3.3279 3.3279 4.3927 4.3927 4.5541 4.5541 5.5359 5.5359 5.8429 5.8429 8.9245 8.9245 11.3724 11.3724 13.1527 13.1527 13.2480 13.2480 k = 0.5591 0.1665-0.2626 ( 2951 PWs) bands (ev): -25.8217 -25.8217 -10.7698 -10.7698 -10.3195 -10.3195 -8.3451 -8.3451 -7.3420 -7.3420 -7.1911 -7.1911 -1.2030 -1.2030 -0.9789 -0.9789 0.3132 0.3132 0.6821 0.6821 0.8923 0.8923 1.7602 1.7602 3.3069 3.3069 4.3789 4.3789 4.5288 4.5288 5.5676 5.5676 5.8532 5.8532 8.9493 8.9493 11.3002 11.3002 13.2158 13.2158 13.3708 13.3708 k = 0.5557 0.1654-0.2418 ( 2955 PWs) bands (ev): -25.8235 -25.8235 -10.7767 -10.7767 -10.2996 -10.2996 -8.3453 -8.3453 -7.3359 -7.3359 -7.1956 -7.1956 -1.2020 -1.2020 -0.9796 -0.9796 0.3171 0.3171 0.6873 0.6873 0.8884 0.8884 1.7272 1.7272 3.2867 3.2867 4.3655 4.3655 4.5035 4.5035 5.5989 5.5989 5.8634 5.8634 8.9733 8.9733 11.2295 11.2295 13.2665 13.2665 13.5017 13.5017 k = 0.5522 0.1644-0.2210 ( 2952 PWs) bands (ev): -25.8252 -25.8252 -10.7838 -10.7838 -10.2796 -10.2796 -8.3460 -8.3460 -7.3315 -7.3315 -7.1984 -7.1984 -1.2010 -1.2010 -0.9804 -0.9804 0.3208 0.3208 0.6923 0.6923 0.8848 0.8848 1.6964 1.6964 3.2673 3.2673 4.3526 4.3526 4.4786 4.4786 5.6294 5.6294 5.8734 5.8734 8.9963 8.9963 11.1609 11.1609 13.3158 13.3158 13.6270 13.6270 k = 0.5487 0.1633-0.2002 ( 2952 PWs) bands (ev): -25.8268 -25.8268 -10.7908 -10.7908 -10.2598 -10.2598 -8.3472 -8.3472 -7.3287 -7.3287 -7.1994 -7.1994 -1.2001 -1.2001 -0.9812 -0.9812 0.3244 0.3244 0.6970 0.6970 0.8813 0.8813 1.6680 1.6680 3.2487 3.2487 4.3402 4.3402 4.4543 4.4543 5.6590 5.6590 5.8833 5.8833 9.0183 9.0183 11.0945 11.0945 13.3654 13.3654 13.7405 13.7405 k = 0.5452 0.1623-0.1794 ( 2952 PWs) bands (ev): -25.8284 -25.8284 -10.7977 -10.7977 -10.2403 -10.2403 -8.3489 -8.3489 -7.3275 -7.3275 -7.1989 -7.1989 -1.1993 -1.1993 -0.9820 -0.9820 0.3277 0.3277 0.7015 0.7015 0.8781 0.8781 1.6418 1.6418 3.2311 3.2311 4.3282 4.3282 4.4308 4.4308 5.6873 5.6873 5.8931 5.8931 9.0391 9.0391 11.0309 11.0309 13.4156 13.4156 13.8361 13.8361 k = 0.5417 0.1613-0.1586 ( 2949 PWs) bands (ev): -25.8299 -25.8299 -10.8043 -10.8043 -10.2214 -10.2214 -8.3510 -8.3510 -7.3277 -7.3277 -7.1970 -7.1970 -1.1985 -1.1985 -0.9828 -0.9828 0.3308 0.3308 0.7057 0.7057 0.8751 0.8751 1.6180 1.6180 3.2145 3.2145 4.3168 4.3168 4.4084 4.4084 5.7142 5.7142 5.9027 5.9027 9.0587 9.0587 10.9704 10.9704 13.4663 13.4663 13.9067 13.9067 k = 0.5383 0.1602-0.1378 ( 2953 PWs) bands (ev): -25.8313 -25.8313 -10.8105 -10.8105 -10.2033 -10.2033 -8.3534 -8.3534 -7.3290 -7.3290 -7.1941 -7.1941 -1.1979 -1.1979 -0.9836 -0.9836 0.3336 0.3336 0.7096 0.7096 0.8723 0.8723 1.5963 1.5963 3.1989 3.1989 4.3059 4.3059 4.3873 4.3873 5.7394 5.7394 5.9123 5.9123 9.0771 9.0771 10.9133 10.9133 13.5172 13.5172 13.9463 13.9463 k = 0.5348 0.1592-0.1170 ( 2953 PWs) bands (ev): -25.8325 -25.8325 -10.8165 -10.8165 -10.1861 -10.1861 -8.3560 -8.3560 -7.3310 -7.3310 -7.1904 -7.1904 -1.1973 -1.1973 -0.9844 -0.9844 0.3362 0.3362 0.7132 0.7132 0.8697 0.8697 1.5768 1.5768 3.1845 3.1845 4.2955 4.2955 4.3677 4.3677 5.7627 5.7627 5.9218 5.9218 9.0940 9.0940 10.8599 10.8599 13.5677 13.5677 13.9585 13.9585 k = 0.5313 0.1582-0.0962 ( 2951 PWs) bands (ev): -25.8337 -25.8337 -10.8219 -10.8219 -10.1699 -10.1699 -8.3587 -8.3587 -7.3334 -7.3334 -7.1864 -7.1864 -1.1968 -1.1968 -0.9851 -0.9851 0.3386 0.3386 0.7164 0.7164 0.8674 0.8674 1.5595 1.5595 3.1712 3.1712 4.2857 4.2857 4.3497 4.3497 5.7837 5.7837 5.9312 5.9312 9.1095 9.1095 10.8106 10.8106 13.6171 13.6171 13.9555 13.9555 k = 0.5278 0.1571-0.0754 ( 2947 PWs) bands (ev): -25.8348 -25.8348 -10.8269 -10.8269 -10.1550 -10.1550 -8.3615 -8.3615 -7.3361 -7.3361 -7.1822 -7.1822 -1.1964 -1.1964 -0.9858 -0.9858 0.3407 0.3407 0.7194 0.7194 0.8653 0.8653 1.5442 1.5442 3.1592 3.1592 4.2764 4.2764 4.3337 4.3337 5.8024 5.8024 5.9404 5.9404 9.1236 9.1236 10.7656 10.7656 13.6648 13.6648 13.9466 13.9466 k = 0.5243 0.1561-0.0546 ( 2945 PWs) bands (ev): -25.8357 -25.8357 -10.8314 -10.8314 -10.1415 -10.1415 -8.3643 -8.3643 -7.3388 -7.3388 -7.1781 -7.1781 -1.1961 -1.1961 -0.9864 -0.9864 0.3425 0.3425 0.7220 0.7220 0.8634 0.8634 1.5309 1.5309 3.1485 3.1485 4.2677 4.2677 4.3196 4.3196 5.8186 5.8186 5.9494 5.9494 9.1361 9.1361 10.7251 10.7251 13.7098 13.7098 13.9361 13.9361 k = 0.5209 0.1551-0.0338 ( 2933 PWs) bands (ev): -25.8366 -25.8366 -10.8354 -10.8354 -10.1294 -10.1294 -8.3669 -8.3669 -7.3413 -7.3413 -7.1743 -7.1743 -1.1958 -1.1958 -0.9869 -0.9869 0.3441 0.3441 0.7242 0.7242 0.8618 0.8618 1.5196 1.5196 3.1391 3.1391 4.2597 4.2597 4.3076 4.3076 5.8324 5.8324 5.9580 5.9580 9.1471 9.1471 10.6895 10.6895 13.7509 13.7509 13.9260 13.9260 k = 0.5174 0.1540-0.0130 ( 2935 PWs) bands (ev): -25.8373 -25.8373 -10.8387 -10.8387 -10.1191 -10.1191 -8.3692 -8.3692 -7.3436 -7.3436 -7.1709 -7.1709 -1.1955 -1.1955 -0.9874 -0.9874 0.3455 0.3455 0.7261 0.7261 0.8605 0.8605 1.5101 1.5101 3.1310 3.1310 4.2523 4.2523 4.2978 4.2978 5.8436 5.8436 5.9660 5.9660 9.1564 9.1564 10.6590 10.6590 13.7870 13.7870 13.9177 13.9177 k = 0.5139 0.1530 0.0078 ( 2933 PWs) bands (ev): -25.8378 -25.8378 -10.8415 -10.8415 -10.1104 -10.1104 -8.3713 -8.3713 -7.3456 -7.3456 -7.1680 -7.1680 -1.1953 -1.1953 -0.9878 -0.9878 0.3466 0.3466 0.7277 0.7277 0.8593 0.8593 1.5024 1.5024 3.1244 3.1244 4.2459 4.2459 4.2900 4.2900 5.8526 5.8526 5.9730 5.9730 9.1640 9.1640 10.6338 10.6338 13.8164 13.8164 13.9120 13.9120 k = 0.5104 0.1520 0.0286 ( 2936 PWs) bands (ev): -25.8383 -25.8383 -10.8437 -10.8437 -10.1036 -10.1036 -8.3730 -8.3730 -7.3471 -7.3471 -7.1657 -7.1657 -1.1952 -1.1952 -0.9881 -0.9881 0.3474 0.3474 0.7289 0.7289 0.8585 0.8585 1.4965 1.4965 3.1192 3.1192 4.2407 4.2407 4.2841 4.2841 5.8594 5.8594 5.9788 5.9788 9.1700 9.1700 10.6139 10.6139 13.8376 13.8376 13.9101 13.9101 k = 0.5070 0.1509 0.0494 ( 2934 PWs) bands (ev): -25.8386 -25.8386 -10.8453 -10.8453 -10.0986 -10.0986 -8.3742 -8.3742 -7.3483 -7.3483 -7.1640 -7.1640 -1.1951 -1.1951 -0.9883 -0.9883 0.3480 0.3480 0.7297 0.7297 0.8578 0.8578 1.4923 1.4923 3.1155 3.1155 4.2367 4.2367 4.2800 4.2800 5.8641 5.8641 5.9832 5.9832 9.1743 9.1743 10.5997 10.5997 13.8501 13.8501 13.9119 13.9119 k = 0.5035 0.1499 0.0702 ( 2934 PWs) bands (ev): -25.8388 -25.8388 -10.8462 -10.8462 -10.0957 -10.0957 -8.3750 -8.3750 -7.3490 -7.3490 -7.1630 -7.1630 -1.1950 -1.1950 -0.9885 -0.9885 0.3484 0.3484 0.7302 0.7302 0.8575 0.8575 1.4898 1.4898 3.1132 3.1132 4.2343 4.2343 4.2776 4.2776 5.8669 5.8669 5.9859 5.9859 9.1769 9.1769 10.5911 10.5911 13.8555 13.8555 13.9152 13.9152 k = 0.5000 0.1489 0.0910 ( 2930 PWs) bands (ev): -25.8389 -25.8389 -10.8465 -10.8465 -10.0947 -10.0947 -8.3752 -8.3752 -7.3492 -7.3492 -7.1626 -7.1626 -1.1950 -1.1950 -0.9885 -0.9885 0.3485 0.3485 0.7304 0.7304 0.8573 0.8573 1.4890 1.4890 3.1125 3.1125 4.2335 4.2335 4.2768 4.2768 5.8678 5.8678 5.9868 5.9868 9.1778 9.1778 10.5882 10.5882 13.8569 13.8569 13.9167 13.9167 k = 0.5000-0.7653-0.4680 ( 2960 PWs) bands (ev): -25.7768 -25.7768 -11.1260 -11.1260 -10.0157 -10.0157 -8.5315 -8.5315 -7.6038 -7.6038 -7.1178 -7.1178 -1.1616 -1.1616 -0.9634 -0.9634 0.3442 0.3442 0.5914 0.5914 1.0199 1.0199 3.3402 3.3402 3.3446 3.3446 4.0977 4.0977 4.5546 4.5546 5.6230 5.6230 5.7588 5.7588 8.4892 8.4892 9.9478 9.9478 12.3648 12.3648 13.7124 13.7124 k = 0.5184-0.7566-0.4626 ( 2961 PWs) bands (ev): -25.7768 -25.7768 -11.1253 -11.1253 -10.0171 -10.0171 -8.5312 -8.5312 -7.6037 -7.6037 -7.1170 -7.1170 -1.1620 -1.1620 -0.9635 -0.9635 0.3435 0.3435 0.5912 0.5912 1.0198 1.0198 3.3205 3.3205 3.3662 3.3662 4.0984 4.0984 4.5555 4.5555 5.6215 5.6215 5.7579 5.7579 8.4895 8.4895 9.9478 9.9478 12.3650 12.3650 13.7124 13.7124 k = 0.5368-0.7478-0.4573 ( 2961 PWs) bands (ev): -25.7768 -25.7768 -11.1231 -11.1231 -10.0214 -10.0214 -8.5306 -8.5306 -7.6035 -7.6035 -7.1147 -7.1147 -1.1631 -1.1631 -0.9637 -0.9637 0.3415 0.3415 0.5905 0.5905 1.0196 1.0196 3.3005 3.3005 3.3918 3.3918 4.1003 4.1003 4.5585 4.5585 5.6168 5.6168 5.7550 5.7550 8.4904 8.4904 9.9479 9.9479 12.3657 12.3657 13.7126 13.7126 k = 0.5552-0.7391-0.4519 ( 2958 PWs) bands (ev): -25.7768 -25.7768 -11.1196 -11.1196 -10.0284 -10.0284 -8.5294 -8.5294 -7.6033 -7.6033 -7.1109 -7.1109 -1.1650 -1.1650 -0.9641 -0.9641 0.3381 0.3381 0.5894 0.5894 1.0194 1.0194 3.2822 3.2822 3.4194 3.4194 4.1036 4.1036 4.5634 4.5634 5.6090 5.6090 5.7502 5.7502 8.4918 8.4918 9.9482 9.9482 12.3669 12.3669 13.7128 13.7128 k = 0.5737-0.7303-0.4466 ( 2958 PWs) bands (ev): -25.7769 -25.7769 -11.1146 -11.1146 -10.0382 -10.0382 -8.5279 -8.5279 -7.6029 -7.6029 -7.1056 -7.1056 -1.1676 -1.1676 -0.9645 -0.9645 0.3335 0.3335 0.5880 0.5880 1.0190 1.0190 3.2654 3.2654 3.4491 3.4491 4.1082 4.1082 4.5703 4.5703 5.5981 5.5981 5.7436 5.7436 8.4938 8.4938 9.9485 9.9485 12.3685 12.3685 13.7131 13.7131 k = 0.5921-0.7215-0.4412 ( 2956 PWs) bands (ev): -25.7769 -25.7769 -11.1082 -11.1082 -10.0505 -10.0505 -8.5260 -8.5260 -7.6024 -7.6024 -7.0990 -7.0990 -1.1708 -1.1708 -0.9651 -0.9651 0.3276 0.3276 0.5862 0.5862 1.0185 1.0185 3.2500 3.2500 3.4807 3.4807 4.1141 4.1141 4.5791 4.5791 5.5841 5.5841 5.7352 5.7352 8.4964 8.4964 9.9489 9.9489 12.3706 12.3706 13.7132 13.7132 k = 0.6105-0.7128-0.4359 ( 2957 PWs) bands (ev): -25.7769 -25.7769 -11.1005 -11.1005 -10.0652 -10.0652 -8.5238 -8.5238 -7.6019 -7.6019 -7.0911 -7.0911 -1.1747 -1.1747 -0.9658 -0.9658 0.3207 0.3207 0.5840 0.5840 1.0179 1.0179 3.2359 3.2359 3.5142 3.5142 4.1213 4.1213 4.5897 4.5897 5.5668 5.5668 5.7250 5.7250 8.4995 8.4995 9.9495 9.9495 12.3730 12.3730 13.7131 13.7131 k = 0.6289-0.7040-0.4305 ( 2958 PWs) bands (ev): -25.7769 -25.7769 -11.0914 -11.0914 -10.0822 -10.0822 -8.5214 -8.5214 -7.6013 -7.6013 -7.0821 -7.0821 -1.1792 -1.1792 -0.9666 -0.9666 0.3128 0.3128 0.5816 0.5816 1.0173 1.0173 3.2230 3.2230 3.5494 3.5494 4.1299 4.1299 4.6022 4.6022 5.5465 5.5465 5.7131 5.7131 8.5033 8.5033 9.9502 9.9502 12.3758 12.3758 13.7126 13.7126 k = 0.6473-0.6953-0.4252 ( 2963 PWs) bands (ev): -25.7770 -25.7770 -11.0811 -11.0811 -10.1013 -10.1013 -8.5187 -8.5187 -7.6007 -7.6007 -7.0721 -7.0721 -1.1842 -1.1842 -0.9674 -0.9674 0.3041 0.3041 0.5790 0.5790 1.0166 1.0166 3.2111 3.2111 3.5863 3.5863 4.1400 4.1400 4.6165 4.6165 5.5229 5.5229 5.6996 5.6996 8.5076 8.5076 9.9509 9.9509 12.3789 12.3789 13.7113 13.7113 k = 0.6657-0.6865-0.4198 ( 2963 PWs) bands (ev): -25.7770 -25.7770 -11.0694 -11.0694 -10.1221 -10.1221 -8.5159 -8.5159 -7.6000 -7.6000 -7.0613 -7.0613 -1.1896 -1.1896 -0.9684 -0.9684 0.2946 0.2946 0.5762 0.5762 1.0159 1.0159 3.2002 3.2002 3.6244 3.6244 4.1516 4.1516 4.6325 4.6325 5.4962 5.4962 5.6845 5.6845 8.5124 8.5124 9.9518 9.9518 12.3824 12.3824 13.7088 13.7088 k = 0.6841-0.6778-0.4145 ( 2962 PWs) bands (ev): -25.7770 -25.7770 -11.0566 -11.0566 -10.1446 -10.1446 -8.5130 -8.5130 -7.5993 -7.5993 -7.0499 -7.0499 -1.1954 -1.1954 -0.9693 -0.9693 0.2846 0.2846 0.5733 0.5733 1.0151 1.0151 3.1902 3.1902 3.6633 3.6633 4.1649 4.1649 4.6501 4.6501 5.4665 5.4665 5.6679 5.6679 8.5179 8.5179 9.9529 9.9529 12.3860 12.3860 13.7041 13.7041 k = 0.7026-0.6690-0.4091 ( 2964 PWs) bands (ev): -25.7771 -25.7771 -11.0427 -11.0427 -10.1685 -10.1685 -8.5101 -8.5101 -7.5986 -7.5986 -7.0380 -7.0380 -1.2015 -1.2015 -0.9703 -0.9703 0.2743 0.2743 0.5703 0.5703 1.0142 1.0142 3.1809 3.1809 3.7027 3.7027 4.1802 4.1802 4.6694 4.6694 5.4337 5.4337 5.6498 5.6498 8.5239 8.5239 9.9540 9.9540 12.3899 12.3899 13.6962 13.6962 k = 0.7210-0.6603-0.4037 ( 2961 PWs) bands (ev): -25.7771 -25.7771 -11.0277 -11.0277 -10.1935 -10.1935 -8.5072 -8.5072 -7.5978 -7.5978 -7.0258 -7.0258 -1.2078 -1.2078 -0.9713 -0.9713 0.2637 0.2637 0.5673 0.5673 1.0134 1.0134 3.1723 3.1723 3.7419 3.7419 4.1978 4.1978 4.6901 4.6901 5.3980 5.3980 5.6303 5.6303 8.5304 8.5304 9.9553 9.9553 12.3940 12.3940 13.6834 13.6834 k = 0.7394-0.6515-0.3984 ( 2958 PWs) bands (ev): -25.7772 -25.7772 -11.0117 -11.0117 -10.2194 -10.2194 -8.5044 -8.5044 -7.5971 -7.5971 -7.0136 -7.0136 -1.2141 -1.2141 -0.9723 -0.9723 0.2530 0.2530 0.5643 0.5643 1.0125 1.0125 3.1644 3.1644 3.7803 3.7803 4.2181 4.2181 4.7122 4.7122 5.3595 5.3595 5.6094 5.6094 8.5374 8.5374 9.9566 9.9566 12.3982 12.3982 13.6641 13.6641 k = 0.7578-0.6427-0.3930 ( 2954 PWs) bands (ev): -25.7772 -25.7772 -10.9949 -10.9949 -10.2459 -10.2459 -8.5016 -8.5016 -7.5964 -7.5964 -7.0015 -7.0015 -1.2205 -1.2205 -0.9733 -0.9733 0.2425 0.2425 0.5614 0.5614 1.0117 1.0117 3.1570 3.1570 3.8170 3.8170 4.2417 4.2417 4.7357 4.7357 5.3183 5.3183 5.5872 5.5872 8.5448 8.5448 9.9580 9.9580 12.4026 12.4026 13.6378 13.6379 k = 0.7762-0.6340-0.3877 ( 2955 PWs) bands (ev): -25.7773 -25.7773 -10.9774 -10.9774 -10.2727 -10.2727 -8.4990 -8.4990 -7.5957 -7.5957 -6.9897 -6.9897 -1.2268 -1.2268 -0.9743 -0.9743 0.2322 0.2322 0.5586 0.5586 1.0108 1.0108 3.1502 3.1502 3.8512 3.8512 4.2691 4.2691 4.7604 4.7604 5.2746 5.2746 5.5637 5.5637 8.5527 8.5527 9.9594 9.9594 12.4070 12.4070 13.6062 13.6062 k = 0.7946-0.6252-0.3823 ( 2954 PWs) bands (ev): -25.7773 -25.7773 -10.9594 -10.9594 -10.2994 -10.2994 -8.4965 -8.4965 -7.5950 -7.5950 -6.9784 -6.9784 -1.2329 -1.2329 -0.9752 -0.9752 0.2223 0.2223 0.5560 0.5560 1.0100 1.0100 3.1438 3.1438 3.8824 3.8824 4.3005 4.3005 4.7863 4.7863 5.2285 5.2285 5.5391 5.5391 8.5609 8.5609 9.9608 9.9608 12.4115 12.4115 13.5719 13.5719 k = 0.8130-0.6165-0.3770 ( 2954 PWs) bands (ev): -25.7774 -25.7774 -10.9411 -10.9411 -10.3259 -10.3259 -8.4942 -8.4942 -7.5944 -7.5944 -6.9678 -6.9678 -1.2387 -1.2387 -0.9760 -0.9760 0.2130 0.2130 0.5536 0.5536 1.0092 1.0092 3.1379 3.1379 3.9099 3.9099 4.3362 4.3362 4.8131 4.8131 5.1803 5.1803 5.5134 5.5134 8.5695 8.5695 9.9621 9.9621 12.4161 12.4161 13.5374 13.5374 Writing output data file SrHgO2.save init_run : 0.43s CPU 0.61s WALL ( 1 calls) electrons : 239.09s CPU 241.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 239.09s CPU 241.87s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 320 calls) cegterg : 222.25s CPU 224.60s WALL ( 683 calls) Called by sum_band: Called by *egterg: h_psi : 158.19s CPU 159.78s WALL ( 11184 calls) s_psi : 4.80s CPU 4.86s WALL ( 11184 calls) g_psi : 0.23s CPU 0.20s WALL ( 10181 calls) cdiaghg : 57.65s CPU 58.11s WALL ( 10501 calls) cegterg:over : 4.80s CPU 4.92s WALL ( 10181 calls) cegterg:upda : 4.50s CPU 4.44s WALL ( 10181 calls) cegterg:last : 1.94s CPU 2.10s WALL ( 1761 calls) cdiaghg:chol : 3.19s CPU 3.25s WALL ( 10501 calls) cdiaghg:inve : 1.98s CPU 1.86s WALL ( 10501 calls) cdiaghg:para : 3.09s CPU 3.32s WALL ( 21002 calls) Called by h_psi: h_psi:vloc : 150.06s CPU 151.66s WALL ( 11184 calls) h_psi:vnl : 7.95s CPU 7.91s WALL ( 11184 calls) add_vuspsi : 4.00s CPU 3.96s WALL ( 11184 calls) General routines calbec : 3.91s CPU 3.93s WALL ( 11184 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 134.04s CPU 135.36s WALL ( 892676 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.17s WALL ( 640 calls) Parallel routines fft_scatter : 32.75s CPU 33.09s WALL ( 892699 calls) PWSCF : 4m11.66s CPU 4m32.16s WALL This run was terminated on: 19:55:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=