Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:21:15 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: ./AgBiTe2.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 106 43 12 3314 836 132 Max 107 44 13 3318 859 136 Sum 3851 1549 451 119411 30543 4813 bravais-lattice index = 14 lattice parameter (alat) = 13.8176 a.u. unit-cell volume = 723.8992 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.817585 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.831874 celldm(5)= 0.831874 celldm(6)= 0.831874 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.831874 0.554965 0.000000 ) a(3) = ( 0.831874 0.252016 0.494443 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.498967 -0.918429 ) b(2) = ( 0.000000 1.801916 -0.918429 ) b(3) = ( 0.000000 0.000000 2.022477 ) PseudoPot. # 1 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Bi 15.00 208.98040 Bi( 1.00) Te 6.00 127.60000 Te( 1.00) Ag 11.00 107.86820 Ag( 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= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0113636 -0.0170337 -0.0104367), wk = 0.0034247 k( 3) = ( 0.0227273 -0.0340674 -0.0208734), wk = 0.0034247 k( 4) = ( 0.0340909 -0.0511012 -0.0313101), wk = 0.0034247 k( 5) = ( 0.0454546 -0.0681349 -0.0417468), wk = 0.0034247 k( 6) = ( 0.0568182 -0.0851686 -0.0521835), wk = 0.0034247 k( 7) = ( 0.0681818 -0.1022023 -0.0626202), wk = 0.0034247 k( 8) = ( 0.0795455 -0.1192360 -0.0730568), wk = 0.0034247 k( 9) = ( 0.0909091 -0.1362698 -0.0834935), wk = 0.0034247 k( 10) = ( 0.1022727 -0.1533035 -0.0939302), wk = 0.0034247 k( 11) = ( 0.1136364 -0.1703372 -0.1043669), wk = 0.0034247 k( 12) = ( 0.1250000 -0.1873709 -0.1148036), wk = 0.0034247 k( 13) = ( 0.1363636 -0.2044046 -0.1252403), wk = 0.0034247 k( 14) = ( 0.1477273 -0.2214383 -0.1356770), wk = 0.0034247 k( 15) = ( 0.1590909 -0.2384721 -0.1461137), wk = 0.0034247 k( 16) = ( 0.1704546 -0.2555058 -0.1565504), wk = 0.0034247 k( 17) = ( 0.1818182 -0.2725395 -0.1669871), wk = 0.0034247 k( 18) = ( 0.1931818 -0.2895732 -0.1774238), wk = 0.0034247 k( 19) = ( 0.2045454 -0.3066069 -0.1878605), wk = 0.0034247 k( 20) = ( 0.2159091 -0.3236407 -0.1982972), wk = 0.0034247 k( 21) = ( 0.2272727 -0.3406744 -0.2087339), wk = 0.0034247 k( 22) = ( 0.2386364 -0.3577081 -0.2191706), wk = 0.0034247 k( 23) = ( 0.2500000 -0.3747418 -0.2296073), wk = 0.0034247 k( 24) = ( 0.2613636 -0.3917755 -0.2400440), wk = 0.0034247 k( 25) = ( 0.2727273 -0.4088093 -0.2504806), wk = 0.0034247 k( 26) = ( 0.2840909 -0.4258430 -0.2609173), wk = 0.0034247 k( 27) = ( 0.2954545 -0.4428767 -0.2713540), wk = 0.0034247 k( 28) = ( 0.3068182 -0.4599104 -0.2817907), wk = 0.0034247 k( 29) = ( 0.3181818 -0.4769441 -0.2922274), wk = 0.0034247 k( 30) = ( 0.3295455 -0.4939778 -0.3026641), wk = 0.0034247 k( 31) = ( 0.3409091 -0.5110116 -0.3131008), wk = 0.0034247 k( 32) = ( 0.3522727 -0.5280453 -0.3235375), wk = 0.0034247 k( 33) = ( 0.3636364 -0.5450790 -0.3339742), wk = 0.0034247 k( 34) = ( 0.3750000 -0.5621127 -0.3444109), wk = 0.0034247 k( 35) = ( 0.3863636 -0.5791465 -0.3548476), wk = 0.0034247 k( 36) = ( 0.3977273 -0.5961802 -0.3652843), wk = 0.0034247 k( 37) = ( 0.4090909 -0.6132139 -0.3757210), wk = 0.0034247 k( 38) = ( 0.4204545 -0.6302476 -0.3861577), wk = 0.0034247 k( 39) = ( 0.4318182 -0.6472813 -0.3965943), wk = 0.0034247 k( 40) = ( 0.4431818 -0.6643150 -0.4070310), wk = 0.0034247 k( 41) = ( 0.4545455 -0.6813488 -0.4174677), wk = 0.0034247 k( 42) = ( 0.4659091 -0.6983825 -0.4279044), wk = 0.0034247 k( 43) = ( 0.4772727 -0.7154162 -0.4383411), wk = 0.0034247 k( 44) = ( 0.4886364 -0.7324499 -0.4487778), wk = 0.0034247 k( 45) = ( 0.5000000 -0.7494836 -0.4592145), wk = 0.0034247 k( 46) = ( 0.5000000 -0.7494836 -0.4592145), wk = 0.0034247 k( 47) = ( 0.5000000 -0.7374040 -0.4789297), wk = 0.0034247 k( 48) = ( 0.5000000 -0.7253244 -0.4986448), wk = 0.0034247 k( 49) = ( 0.5000000 -0.7132448 -0.5183600), wk = 0.0034247 k( 50) = ( 0.5000000 -0.7011651 -0.5380751), wk = 0.0034247 k( 51) = ( 0.5000000 -0.6890855 -0.5577903), wk = 0.0034247 k( 52) = ( 0.5000000 -0.6770059 -0.5775054), wk = 0.0034247 k( 53) = ( 0.5000000 -0.6649263 -0.5972205), wk = 0.0034247 k( 54) = ( 0.5000000 -0.6528466 -0.6169357), wk = 0.0034247 k( 55) = ( 0.5000000 -0.6407670 -0.6366509), wk = 0.0034247 k( 56) = ( 0.5000000 -0.6286874 -0.6563660), wk = 0.0034247 k( 57) = ( 0.5000000 -0.6166077 -0.6760812), wk = 0.0034247 k( 58) = ( 0.5000000 -0.6045281 -0.6957963), wk = 0.0034247 k( 59) = ( 0.5000000 -0.5924485 -0.7155114), wk = 0.0034247 k( 60) = ( 0.5000000 -0.5803689 -0.7352266), wk = 0.0034247 k( 61) = ( 0.5000000 -0.5682892 -0.7549417), wk = 0.0034247 k( 62) = ( 0.5000000 -0.5562096 -0.7746569), wk = 0.0034247 k( 63) = ( 0.5000000 -0.5441300 -0.7943721), wk = 0.0034247 k( 64) = ( 0.5000000 -0.5320504 -0.8140872), wk = 0.0034247 k( 65) = ( 0.5000000 -0.5199707 -0.8338023), wk = 0.0034247 k( 66) = ( 0.5000000 -0.5078911 -0.8535175), wk = 0.0034247 k( 67) = ( 0.5000000 -0.4958115 -0.8732326), wk = 0.0034247 k( 68) = ( 0.5000000 -0.4837318 -0.8929478), wk = 0.0034247 k( 69) = ( 0.5000000 -0.4716522 -0.9126630), wk = 0.0034247 k( 70) = ( 0.5000000 -0.4595726 -0.9323781), wk = 0.0034247 k( 71) = ( 0.5000000 -0.4474930 -0.9520932), wk = 0.0034247 k( 72) = ( 0.5000000 -0.4354133 -0.9718084), wk = 0.0034247 k( 73) = ( 0.5000000 -0.4233337 -0.9915235), wk = 0.0034247 k( 74) = ( 0.5000000 -0.4112541 -1.0112387), wk = 0.0034247 k( 75) = ( 0.8122945 -0.3166447 -0.8256193), wk = 0.0034247 k( 76) = ( 0.8056500 -0.3066847 -0.8060783), wk = 0.0034247 k( 77) = ( 0.7990054 -0.2967247 -0.7865373), wk = 0.0034247 k( 78) = ( 0.7923609 -0.2867648 -0.7669962), wk = 0.0034247 k( 79) = ( 0.7857163 -0.2768048 -0.7474552), wk = 0.0034247 k( 80) = ( 0.7790717 -0.2668448 -0.7279141), wk = 0.0034247 k( 81) = ( 0.7724271 -0.2568848 -0.7083731), wk = 0.0034247 k( 82) = ( 0.7657826 -0.2469248 -0.6888321), wk = 0.0034247 k( 83) = ( 0.7591380 -0.2369648 -0.6692910), wk = 0.0034247 k( 84) = ( 0.7524935 -0.2270048 -0.6497500), wk = 0.0034247 k( 85) = ( 0.7458489 -0.2170449 -0.6302089), wk = 0.0034247 k( 86) = ( 0.7392043 -0.2070849 -0.6106679), wk = 0.0034247 k( 87) = ( 0.7325598 -0.1971249 -0.5911268), wk = 0.0034247 k( 88) = ( 0.7259152 -0.1871649 -0.5715858), wk = 0.0034247 k( 89) = ( 0.7192706 -0.1772049 -0.5520448), wk = 0.0034247 k( 90) = ( 0.7126261 -0.1672449 -0.5325037), wk = 0.0034247 k( 91) = ( 0.7059815 -0.1572850 -0.5129627), wk = 0.0034247 k( 92) = ( 0.6993369 -0.1473250 -0.4934216), wk = 0.0034247 k( 93) = ( 0.6926924 -0.1373650 -0.4738806), wk = 0.0034247 k( 94) = ( 0.6860478 -0.1274050 -0.4543395), wk = 0.0034247 k( 95) = ( 0.6794033 -0.1174450 -0.4347985), wk = 0.0034247 k( 96) = ( 0.6727587 -0.1074850 -0.4152574), wk = 0.0034247 k( 97) = ( 0.6661141 -0.0975250 -0.3957164), wk = 0.0034247 k( 98) = ( 0.6594695 -0.0875650 -0.3761754), wk = 0.0034247 k( 99) = ( 0.6528250 -0.0776051 -0.3566343), wk = 0.0034247 k( 100) = ( 0.6461804 -0.0676451 -0.3370933), wk = 0.0034247 k( 101) = ( 0.6395359 -0.0576851 -0.3175522), wk = 0.0034247 k( 102) = ( 0.6328913 -0.0477251 -0.2980112), wk = 0.0034247 k( 103) = ( 0.6262467 -0.0377651 -0.2784701), wk = 0.0034247 k( 104) = ( 0.6196022 -0.0278052 -0.2589291), wk = 0.0034247 k( 105) = ( 0.6129576 -0.0178452 -0.2393881), wk = 0.0034247 k( 106) = ( 0.6063130 -0.0078852 -0.2198470), wk = 0.0034247 k( 107) = ( 0.5996685 0.0020748 -0.2003060), wk = 0.0034247 k( 108) = ( 0.5930239 0.0120348 -0.1807649), wk = 0.0034247 k( 109) = ( 0.5863793 0.0219948 -0.1612239), wk = 0.0034247 k( 110) = ( 0.5797348 0.0319548 -0.1416829), wk = 0.0034247 k( 111) = ( 0.5730902 0.0419148 -0.1221418), wk = 0.0034247 k( 112) = ( 0.5664457 0.0518747 -0.1026008), wk = 0.0034247 k( 113) = ( 0.5598011 0.0618347 -0.0830597), wk = 0.0034247 k( 114) = ( 0.5531565 0.0717947 -0.0635187), wk = 0.0034247 k( 115) = ( 0.5465119 0.0817547 -0.0439776), wk = 0.0034247 k( 116) = ( 0.5398674 0.0917147 -0.0244366), wk = 0.0034247 k( 117) = ( 0.5332228 0.1016747 -0.0048955), wk = 0.0034247 k( 118) = ( 0.5265783 0.1116346 0.0146455), wk = 0.0034247 k( 119) = ( 0.5199337 0.1215946 0.0341866), wk = 0.0034247 k( 120) = ( 0.5132891 0.1315546 0.0537276), wk = 0.0034247 k( 121) = ( 0.5066446 0.1415146 0.0732686), wk = 0.0034247 k( 122) = ( 0.5000000 0.1514746 0.0928097), wk = 0.0034247 k( 123) = ( 0.5000000 0.1514746 0.0928097), wk = 0.0034247 k( 124) = ( 0.4782609 0.1448887 0.0887745), wk = 0.0034247 k( 125) = ( 0.4565217 0.1383029 0.0847393), wk = 0.0034247 k( 126) = ( 0.4347826 0.1317170 0.0807041), wk = 0.0034247 k( 127) = ( 0.4130435 0.1251312 0.0766689), wk = 0.0034247 k( 128) = ( 0.3913044 0.1185453 0.0726337), wk = 0.0034247 k( 129) = ( 0.3695652 0.1119595 0.0685985), wk = 0.0034247 k( 130) = ( 0.3478261 0.1053736 0.0645632), wk = 0.0034247 k( 131) = ( 0.3260870 0.0987878 0.0605280), wk = 0.0034247 k( 132) = ( 0.3043478 0.0922019 0.0564928), wk = 0.0034247 k( 133) = ( 0.2826087 0.0856161 0.0524576), wk = 0.0034247 k( 134) = ( 0.2608696 0.0790302 0.0484224), wk = 0.0034247 k( 135) = ( 0.2391304 0.0724444 0.0443872), wk = 0.0034247 k( 136) = ( 0.2173913 0.0658585 0.0403520), wk = 0.0034247 k( 137) = ( 0.1956522 0.0592727 0.0363168), wk = 0.0034247 k( 138) = ( 0.1739130 0.0526868 0.0322816), wk = 0.0034247 k( 139) = ( 0.1521739 0.0461010 0.0282464), wk = 0.0034247 k( 140) = ( 0.1304348 0.0395151 0.0242112), wk = 0.0034247 k( 141) = ( 0.1086957 0.0329293 0.0201760), wk = 0.0034247 k( 142) = ( 0.0869565 0.0263434 0.0161408), wk = 0.0034247 k( 143) = ( 0.0652174 0.0197576 0.0121056), wk = 0.0034247 k( 144) = ( 0.0434783 0.0131717 0.0080704), wk = 0.0034247 k( 145) = ( 0.0217391 0.0065859 0.0040352), wk = 0.0034247 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 148) = ( 0.0067422 -0.0101064 -0.0198282), wk = 0.0034247 k( 149) = ( 0.0134844 -0.0202127 -0.0396564), wk = 0.0034247 k( 150) = ( 0.0202266 -0.0303191 -0.0594846), wk = 0.0034247 k( 151) = ( 0.0269688 -0.0404254 -0.0793128), wk = 0.0034247 k( 152) = ( 0.0337110 -0.0505318 -0.0991410), wk = 0.0034247 k( 153) = ( 0.0404533 -0.0606381 -0.1189693), wk = 0.0034247 k( 154) = ( 0.0471955 -0.0707445 -0.1387975), wk = 0.0034247 k( 155) = ( 0.0539377 -0.0808508 -0.1586257), wk = 0.0034247 k( 156) = ( 0.0606799 -0.0909572 -0.1784539), wk = 0.0034247 k( 157) = ( 0.0674221 -0.1010635 -0.1982821), wk = 0.0034247 k( 158) = ( 0.0741643 -0.1111699 -0.2181103), wk = 0.0034247 k( 159) = ( 0.0809065 -0.1212762 -0.2379385), wk = 0.0034247 k( 160) = ( 0.0876487 -0.1313826 -0.2577667), wk = 0.0034247 k( 161) = ( 0.0943910 -0.1414889 -0.2775949), wk = 0.0034247 k( 162) = ( 0.1011332 -0.1515953 -0.2974232), wk = 0.0034247 k( 163) = ( 0.1078754 -0.1617016 -0.3172514), wk = 0.0034247 k( 164) = ( 0.1146176 -0.1718080 -0.3370796), wk = 0.0034247 k( 165) = ( 0.1213598 -0.1819144 -0.3569078), wk = 0.0034247 k( 166) = ( 0.1281020 -0.1920207 -0.3767360), wk = 0.0034247 k( 167) = ( 0.1348442 -0.2021271 -0.3965642), wk = 0.0034247 k( 168) = ( 0.1415864 -0.2122334 -0.4163924), wk = 0.0034247 k( 169) = ( 0.1483286 -0.2223398 -0.4362206), wk = 0.0034247 k( 170) = ( 0.1550708 -0.2324461 -0.4560488), wk = 0.0034247 k( 171) = ( 0.1618131 -0.2425525 -0.4758770), wk = 0.0034247 k( 172) = ( 0.1685553 -0.2526588 -0.4957052), wk = 0.0034247 k( 173) = ( 0.1752975 -0.2627652 -0.5155335), wk = 0.0034247 k( 174) = ( 0.1820397 -0.2728715 -0.5353617), wk = 0.0034247 k( 175) = ( 0.1887819 -0.2829779 -0.5551899), wk = 0.0034247 k( 176) = ( 0.1955241 -0.2930842 -0.5750181), wk = 0.0034247 k( 177) = ( 0.2022663 -0.3031906 -0.5948463), wk = 0.0034247 k( 178) = ( 0.2090085 -0.3132969 -0.6146745), wk = 0.0034247 k( 179) = ( 0.2157507 -0.3234033 -0.6345027), wk = 0.0034247 k( 180) = ( 0.2224929 -0.3335096 -0.6543309), wk = 0.0034247 k( 181) = ( 0.2292351 -0.3436160 -0.6741591), wk = 0.0034247 k( 182) = ( 0.2359774 -0.3537223 -0.6939873), wk = 0.0034247 k( 183) = ( 0.2427196 -0.3638287 -0.7138155), wk = 0.0034247 k( 184) = ( 0.2494618 -0.3739350 -0.7336437), wk = 0.0034247 k( 185) = ( 0.2562040 -0.3840414 -0.7534720), wk = 0.0034247 k( 186) = ( 0.2629462 -0.3941477 -0.7733002), wk = 0.0034247 k( 187) = ( 0.2696884 -0.4042541 -0.7931284), wk = 0.0034247 k( 188) = ( 0.2764306 -0.4143605 -0.8129566), wk = 0.0034247 k( 189) = ( 0.2831728 -0.4244668 -0.8327848), wk = 0.0034247 k( 190) = ( 0.2899151 -0.4345732 -0.8526130), wk = 0.0034247 k( 191) = ( 0.2966573 -0.4446795 -0.8724412), wk = 0.0034247 k( 192) = ( 0.3033995 -0.4547859 -0.8922694), wk = 0.0034247 k( 193) = ( 0.3101417 -0.4648922 -0.9120977), wk = 0.0034247 k( 194) = ( 0.3168839 -0.4749986 -0.9319259), wk = 0.0034247 k( 195) = ( 0.3236261 -0.4851049 -0.9517541), wk = 0.0034247 k( 196) = ( 0.3303683 -0.4952113 -0.9715823), wk = 0.0034247 k( 197) = ( 0.3371105 -0.5053176 -0.9914105), wk = 0.0034247 k( 198) = ( 0.3438527 -0.5154240 -1.0112387), wk = 0.0034247 k( 199) = ( 0.6561473 -0.3639494 -0.9184290), wk = 0.0034247 k( 200) = ( 0.6496411 -0.3424734 -0.9184290), wk = 0.0034247 k( 201) = ( 0.6431350 -0.3209974 -0.9184290), wk = 0.0034247 k( 202) = ( 0.6366289 -0.2995214 -0.9184290), wk = 0.0034247 k( 203) = ( 0.6301227 -0.2780454 -0.9184290), wk = 0.0034247 k( 204) = ( 0.6236166 -0.2565694 -0.9184290), wk = 0.0034247 k( 205) = ( 0.6171104 -0.2350934 -0.9184290), wk = 0.0034247 k( 206) = ( 0.6106043 -0.2136174 -0.9184290), wk = 0.0034247 k( 207) = ( 0.6040982 -0.1921414 -0.9184290), wk = 0.0034247 k( 208) = ( 0.5975920 -0.1706654 -0.9184290), wk = 0.0034247 k( 209) = ( 0.5910859 -0.1491894 -0.9184290), wk = 0.0034247 k( 210) = ( 0.5845798 -0.1277134 -0.9184290), wk = 0.0034247 k( 211) = ( 0.5780736 -0.1062374 -0.9184290), wk = 0.0034247 k( 212) = ( 0.5715675 -0.0847614 -0.9184290), wk = 0.0034247 k( 213) = ( 0.5650614 -0.0632854 -0.9184290), wk = 0.0034247 k( 214) = ( 0.5585552 -0.0418094 -0.9184290), wk = 0.0034247 k( 215) = ( 0.5520491 -0.0203334 -0.9184290), wk = 0.0034247 k( 216) = ( 0.5455429 0.0011426 -0.9184290), wk = 0.0034247 k( 217) = ( 0.5390368 0.0226186 -0.9184290), wk = 0.0034247 k( 218) = ( 0.5325307 0.0440946 -0.9184290), wk = 0.0034247 k( 219) = ( 0.5260246 0.0655706 -0.9184290), wk = 0.0034247 k( 220) = ( 0.5195184 0.0870466 -0.9184290), wk = 0.0034247 k( 221) = ( 0.5130123 0.1085226 -0.9184290), wk = 0.0034247 k( 222) = ( 0.5065061 0.1299986 -0.9184290), wk = 0.0034247 k( 223) = ( 0.5000000 0.1514746 -0.9184290), wk = 0.0034247 k( 224) = ( 0.5000000 0.1514746 -0.9184290), wk = 0.0034247 k( 225) = ( 0.5173497 0.1567307 -0.9081168), wk = 0.0034247 k( 226) = ( 0.5346994 0.1619867 -0.8978047), wk = 0.0034247 k( 227) = ( 0.5520491 0.1672428 -0.8874925), wk = 0.0034247 k( 228) = ( 0.5693988 0.1724989 -0.8771803), wk = 0.0034247 k( 229) = ( 0.5867485 0.1777550 -0.8668681), wk = 0.0034247 k( 230) = ( 0.6040982 0.1830110 -0.8565559), wk = 0.0034247 k( 231) = ( 0.6214479 0.1882671 -0.8462437), wk = 0.0034247 k( 232) = ( 0.6387976 0.1935232 -0.8359315), wk = 0.0034247 k( 233) = ( 0.6561473 0.1987793 -0.8256193), wk = 0.0034247 k( 234) = ( 0.6561473 0.1987793 -0.8256193), wk = 0.0034247 k( 235) = ( 0.6523388 0.1976255 -0.8032186), wk = 0.0034247 k( 236) = ( 0.6485303 0.1964717 -0.7808179), wk = 0.0034247 k( 237) = ( 0.6447219 0.1953180 -0.7584172), wk = 0.0034247 k( 238) = ( 0.6409134 0.1941642 -0.7360165), wk = 0.0034247 k( 239) = ( 0.6371049 0.1930104 -0.7136158), wk = 0.0034247 k( 240) = ( 0.6332965 0.1918566 -0.6912151), wk = 0.0034247 k( 241) = ( 0.6294880 0.1907029 -0.6688144), wk = 0.0034247 k( 242) = ( 0.6256795 0.1895491 -0.6464137), wk = 0.0034247 k( 243) = ( 0.6218710 0.1883953 -0.6240130), wk = 0.0034247 k( 244) = ( 0.6180626 0.1872415 -0.6016123), wk = 0.0034247 k( 245) = ( 0.6142541 0.1860878 -0.5792116), wk = 0.0034247 k( 246) = ( 0.6104456 0.1849340 -0.5568109), wk = 0.0034247 k( 247) = ( 0.6066372 0.1837802 -0.5344101), wk = 0.0034247 k( 248) = ( 0.6028287 0.1826265 -0.5120094), wk = 0.0034247 k( 249) = ( 0.5990202 0.1814727 -0.4896087), wk = 0.0034247 k( 250) = ( 0.5952118 0.1803189 -0.4672080), wk = 0.0034247 k( 251) = ( 0.5914033 0.1791651 -0.4448073), wk = 0.0034247 k( 252) = ( 0.5875948 0.1780114 -0.4224066), wk = 0.0034247 k( 253) = ( 0.5837863 0.1768576 -0.4000059), wk = 0.0034247 k( 254) = ( 0.5799779 0.1757038 -0.3776052), wk = 0.0034247 k( 255) = ( 0.5761694 0.1745500 -0.3552045), wk = 0.0034247 k( 256) = ( 0.5723609 0.1733963 -0.3328038), wk = 0.0034247 k( 257) = ( 0.5685525 0.1722425 -0.3104031), wk = 0.0034247 k( 258) = ( 0.5647440 0.1710887 -0.2880024), wk = 0.0034247 k( 259) = ( 0.5609355 0.1699350 -0.2656017), wk = 0.0034247 k( 260) = ( 0.5571270 0.1687812 -0.2432009), wk = 0.0034247 k( 261) = ( 0.5533186 0.1676274 -0.2208002), wk = 0.0034247 k( 262) = ( 0.5495101 0.1664736 -0.1983995), wk = 0.0034247 k( 263) = ( 0.5457016 0.1653199 -0.1759988), wk = 0.0034247 k( 264) = ( 0.5418932 0.1641661 -0.1535981), wk = 0.0034247 k( 265) = ( 0.5380847 0.1630123 -0.1311974), wk = 0.0034247 k( 266) = ( 0.5342762 0.1618585 -0.1087967), wk = 0.0034247 k( 267) = ( 0.5304678 0.1607048 -0.0863960), wk = 0.0034247 k( 268) = ( 0.5266593 0.1595510 -0.0639953), wk = 0.0034247 k( 269) = ( 0.5228508 0.1583972 -0.0415946), wk = 0.0034247 k( 270) = ( 0.5190423 0.1572435 -0.0191939), wk = 0.0034247 k( 271) = ( 0.5152339 0.1560897 0.0032068), wk = 0.0034247 k( 272) = ( 0.5114254 0.1549359 0.0256075), wk = 0.0034247 k( 273) = ( 0.5076169 0.1537821 0.0480083), wk = 0.0034247 k( 274) = ( 0.5038085 0.1526284 0.0704090), wk = 0.0034247 k( 275) = ( 0.5000000 0.1514746 0.0928097), wk = 0.0034247 k( 276) = ( 0.5000000 -0.7494836 -0.4592145), wk = 0.0034247 k( 277) = ( 0.5195184 -0.7400165 -0.4534139), wk = 0.0034247 k( 278) = ( 0.5390368 -0.7305493 -0.4476133), wk = 0.0034247 k( 279) = ( 0.5585552 -0.7210821 -0.4418127), wk = 0.0034247 k( 280) = ( 0.5780736 -0.7116150 -0.4360121), wk = 0.0034247 k( 281) = ( 0.5975920 -0.7021478 -0.4302115), wk = 0.0034247 k( 282) = ( 0.6171104 -0.6926807 -0.4244109), wk = 0.0034247 k( 283) = ( 0.6366289 -0.6832135 -0.4186103), wk = 0.0034247 k( 284) = ( 0.6561473 -0.6737463 -0.4128097), wk = 0.0034247 k( 285) = ( 0.6756657 -0.6642792 -0.4070091), wk = 0.0034247 k( 286) = ( 0.6951841 -0.6548120 -0.4012085), wk = 0.0034247 k( 287) = ( 0.7147025 -0.6453449 -0.3954079), wk = 0.0034247 k( 288) = ( 0.7342209 -0.6358777 -0.3896073), wk = 0.0034247 k( 289) = ( 0.7537393 -0.6264105 -0.3838067), wk = 0.0034247 k( 290) = ( 0.7732577 -0.6169434 -0.3780061), wk = 0.0034247 k( 291) = ( 0.7927761 -0.6074762 -0.3722054), wk = 0.0034247 k( 292) = ( 0.8122945 -0.5980090 -0.3664048), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0034247 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0034247 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0034247 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0034247 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0034247 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0034247 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0034247 k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0034247 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0034247 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0034247 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034247 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0034247 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0034247 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0034247 k( 16) = ( 0.1704546 -0.0000000 0.0000000), wk = 0.0034247 k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0034247 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0034247 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0034247 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0034247 k( 21) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0034247 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0034247 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034247 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0034247 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0034247 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0034247 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0034247 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0034247 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0034247 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0034247 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0034247 k( 32) = ( 0.3522727 -0.0000000 0.0000000), wk = 0.0034247 k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0034247 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034247 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0034247 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0034247 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0034247 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0034247 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0034247 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0034247 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0034247 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0034247 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0034247 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0034247 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 47) = ( 0.5000000 0.0067038 -0.0067038), wk = 0.0034247 k( 48) = ( 0.5000000 0.0134075 -0.0134075), wk = 0.0034247 k( 49) = ( 0.5000000 0.0201113 -0.0201113), wk = 0.0034247 k( 50) = ( 0.5000000 0.0268151 -0.0268151), wk = 0.0034247 k( 51) = ( 0.5000000 0.0335188 -0.0335188), wk = 0.0034247 k( 52) = ( 0.5000000 0.0402226 -0.0402226), wk = 0.0034247 k( 53) = ( 0.5000000 0.0469264 -0.0469264), wk = 0.0034247 k( 54) = ( 0.5000000 0.0536301 -0.0536301), wk = 0.0034247 k( 55) = ( 0.5000000 0.0603339 -0.0603339), wk = 0.0034247 k( 56) = ( 0.5000000 0.0670377 -0.0670377), wk = 0.0034247 k( 57) = ( 0.5000000 0.0737414 -0.0737414), wk = 0.0034247 k( 58) = ( 0.5000000 0.0804452 -0.0804452), wk = 0.0034247 k( 59) = ( 0.5000000 0.0871490 -0.0871490), wk = 0.0034247 k( 60) = ( 0.5000000 0.0938527 -0.0938527), wk = 0.0034247 k( 61) = ( 0.5000000 0.1005565 -0.1005565), wk = 0.0034247 k( 62) = ( 0.5000000 0.1072603 -0.1072603), wk = 0.0034247 k( 63) = ( 0.5000000 0.1139640 -0.1139640), wk = 0.0034247 k( 64) = ( 0.5000000 0.1206678 -0.1206678), wk = 0.0034247 k( 65) = ( 0.5000000 0.1273716 -0.1273716), wk = 0.0034247 k( 66) = ( 0.5000000 0.1340753 -0.1340753), wk = 0.0034247 k( 67) = ( 0.5000000 0.1407791 -0.1407791), wk = 0.0034247 k( 68) = ( 0.5000000 0.1474829 -0.1474829), wk = 0.0034247 k( 69) = ( 0.5000000 0.1541866 -0.1541866), wk = 0.0034247 k( 70) = ( 0.5000000 0.1608904 -0.1608904), wk = 0.0034247 k( 71) = ( 0.5000000 0.1675942 -0.1675942), wk = 0.0034247 k( 72) = ( 0.5000000 0.1742979 -0.1742979), wk = 0.0034247 k( 73) = ( 0.5000000 0.1810017 -0.1810017), wk = 0.0034247 k( 74) = ( 0.5000000 0.1877055 -0.1877055), wk = 0.0034247 k( 75) = ( 0.8122945 0.5000000 0.1877055), wk = 0.0034247 k( 76) = ( 0.8056500 0.5000000 0.1943500), wk = 0.0034247 k( 77) = ( 0.7990054 0.5000000 0.2009946), wk = 0.0034247 k( 78) = ( 0.7923609 0.5000000 0.2076392), wk = 0.0034247 k( 79) = ( 0.7857163 0.5000000 0.2142837), wk = 0.0034247 k( 80) = ( 0.7790717 0.5000000 0.2209283), wk = 0.0034247 k( 81) = ( 0.7724271 0.5000000 0.2275728), wk = 0.0034247 k( 82) = ( 0.7657826 0.5000000 0.2342174), wk = 0.0034247 k( 83) = ( 0.7591380 0.5000000 0.2408620), wk = 0.0034247 k( 84) = ( 0.7524935 0.5000000 0.2475065), wk = 0.0034247 k( 85) = ( 0.7458489 0.5000000 0.2541511), wk = 0.0034247 k( 86) = ( 0.7392043 0.5000000 0.2607957), wk = 0.0034247 k( 87) = ( 0.7325598 0.5000000 0.2674402), wk = 0.0034247 k( 88) = ( 0.7259152 0.5000000 0.2740848), wk = 0.0034247 k( 89) = ( 0.7192706 0.5000000 0.2807294), wk = 0.0034247 k( 90) = ( 0.7126261 0.5000000 0.2873739), wk = 0.0034247 k( 91) = ( 0.7059815 0.5000000 0.2940185), wk = 0.0034247 k( 92) = ( 0.6993369 0.5000000 0.3006631), wk = 0.0034247 k( 93) = ( 0.6926924 0.5000000 0.3073076), wk = 0.0034247 k( 94) = ( 0.6860478 0.5000000 0.3139522), wk = 0.0034247 k( 95) = ( 0.6794033 0.5000000 0.3205968), wk = 0.0034247 k( 96) = ( 0.6727587 0.5000000 0.3272413), wk = 0.0034247 k( 97) = ( 0.6661141 0.5000000 0.3338859), wk = 0.0034247 k( 98) = ( 0.6594695 0.5000000 0.3405305), wk = 0.0034247 k( 99) = ( 0.6528250 0.5000000 0.3471750), wk = 0.0034247 k( 100) = ( 0.6461804 0.5000000 0.3538196), wk = 0.0034247 k( 101) = ( 0.6395359 0.5000000 0.3604641), wk = 0.0034247 k( 102) = ( 0.6328913 0.5000000 0.3671087), wk = 0.0034247 k( 103) = ( 0.6262467 0.5000000 0.3737533), wk = 0.0034247 k( 104) = ( 0.6196022 0.5000000 0.3803978), wk = 0.0034247 k( 105) = ( 0.6129576 0.5000000 0.3870424), wk = 0.0034247 k( 106) = ( 0.6063130 0.5000000 0.3936870), wk = 0.0034247 k( 107) = ( 0.5996685 0.5000000 0.4003315), wk = 0.0034247 k( 108) = ( 0.5930239 0.5000000 0.4069761), wk = 0.0034247 k( 109) = ( 0.5863793 0.5000000 0.4136207), wk = 0.0034247 k( 110) = ( 0.5797348 0.5000000 0.4202652), wk = 0.0034247 k( 111) = ( 0.5730902 0.5000000 0.4269098), wk = 0.0034247 k( 112) = ( 0.5664457 0.5000000 0.4335543), wk = 0.0034247 k( 113) = ( 0.5598011 0.5000000 0.4401989), wk = 0.0034247 k( 114) = ( 0.5531565 0.5000000 0.4468435), wk = 0.0034247 k( 115) = ( 0.5465119 0.5000000 0.4534881), wk = 0.0034247 k( 116) = ( 0.5398674 0.5000000 0.4601326), wk = 0.0034247 k( 117) = ( 0.5332228 0.5000000 0.4667772), wk = 0.0034247 k( 118) = ( 0.5265783 0.5000000 0.4734217), wk = 0.0034247 k( 119) = ( 0.5199337 0.5000000 0.4800663), wk = 0.0034247 k( 120) = ( 0.5132891 0.5000000 0.4867109), wk = 0.0034247 k( 121) = ( 0.5066446 0.5000000 0.4933554), wk = 0.0034247 k( 122) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 124) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0034247 k( 125) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0034247 k( 126) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0034247 k( 127) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0034247 k( 128) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0034247 k( 129) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0034247 k( 130) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0034247 k( 131) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0034247 k( 132) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0034247 k( 133) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0034247 k( 134) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0034247 k( 135) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0034247 k( 136) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0034247 k( 137) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0034247 k( 138) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0034247 k( 139) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0034247 k( 140) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0034247 k( 141) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0034247 k( 142) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0034247 k( 143) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0034247 k( 144) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0034247 k( 145) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0034247 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 148) = ( 0.0067422 -0.0000000 -0.0067422), wk = 0.0034247 k( 149) = ( 0.0134844 -0.0000000 -0.0134844), wk = 0.0034247 k( 150) = ( 0.0202266 0.0000000 -0.0202266), wk = 0.0034247 k( 151) = ( 0.0269688 -0.0000000 -0.0269688), wk = 0.0034247 k( 152) = ( 0.0337110 -0.0000000 -0.0337110), wk = 0.0034247 k( 153) = ( 0.0404533 0.0000000 -0.0404533), wk = 0.0034247 k( 154) = ( 0.0471955 0.0000000 -0.0471955), wk = 0.0034247 k( 155) = ( 0.0539377 -0.0000000 -0.0539377), wk = 0.0034247 k( 156) = ( 0.0606799 0.0000000 -0.0606799), wk = 0.0034247 k( 157) = ( 0.0674221 -0.0000000 -0.0674221), wk = 0.0034247 k( 158) = ( 0.0741643 0.0000000 -0.0741643), wk = 0.0034247 k( 159) = ( 0.0809065 0.0000000 -0.0809065), wk = 0.0034247 k( 160) = ( 0.0876487 0.0000000 -0.0876487), wk = 0.0034247 k( 161) = ( 0.0943910 0.0000000 -0.0943909), wk = 0.0034247 k( 162) = ( 0.1011332 -0.0000000 -0.1011332), wk = 0.0034247 k( 163) = ( 0.1078754 0.0000000 -0.1078754), wk = 0.0034247 k( 164) = ( 0.1146176 0.0000000 -0.1146176), wk = 0.0034247 k( 165) = ( 0.1213598 -0.0000000 -0.1213598), wk = 0.0034247 k( 166) = ( 0.1281020 0.0000000 -0.1281020), wk = 0.0034247 k( 167) = ( 0.1348442 0.0000000 -0.1348442), wk = 0.0034247 k( 168) = ( 0.1415864 0.0000000 -0.1415864), wk = 0.0034247 k( 169) = ( 0.1483286 -0.0000000 -0.1483286), wk = 0.0034247 k( 170) = ( 0.1550708 0.0000000 -0.1550708), wk = 0.0034247 k( 171) = ( 0.1618131 -0.0000000 -0.1618131), wk = 0.0034247 k( 172) = ( 0.1685553 -0.0000000 -0.1685553), wk = 0.0034247 k( 173) = ( 0.1752975 0.0000000 -0.1752975), wk = 0.0034247 k( 174) = ( 0.1820397 0.0000000 -0.1820397), wk = 0.0034247 k( 175) = ( 0.1887819 -0.0000000 -0.1887819), wk = 0.0034247 k( 176) = ( 0.1955241 0.0000000 -0.1955241), wk = 0.0034247 k( 177) = ( 0.2022663 0.0000000 -0.2022663), wk = 0.0034247 k( 178) = ( 0.2090085 -0.0000000 -0.2090085), wk = 0.0034247 k( 179) = ( 0.2157507 0.0000000 -0.2157507), wk = 0.0034247 k( 180) = ( 0.2224929 0.0000000 -0.2224929), wk = 0.0034247 k( 181) = ( 0.2292351 -0.0000000 -0.2292351), wk = 0.0034247 k( 182) = ( 0.2359774 -0.0000000 -0.2359774), wk = 0.0034247 k( 183) = ( 0.2427196 0.0000000 -0.2427196), wk = 0.0034247 k( 184) = ( 0.2494618 0.0000000 -0.2494618), wk = 0.0034247 k( 185) = ( 0.2562040 -0.0000000 -0.2562040), wk = 0.0034247 k( 186) = ( 0.2629462 0.0000000 -0.2629462), wk = 0.0034247 k( 187) = ( 0.2696884 0.0000000 -0.2696884), wk = 0.0034247 k( 188) = ( 0.2764306 -0.0000000 -0.2764306), wk = 0.0034247 k( 189) = ( 0.2831728 0.0000000 -0.2831728), wk = 0.0034247 k( 190) = ( 0.2899151 0.0000000 -0.2899150), wk = 0.0034247 k( 191) = ( 0.2966573 -0.0000000 -0.2966573), wk = 0.0034247 k( 192) = ( 0.3033995 0.0000000 -0.3033995), wk = 0.0034247 k( 193) = ( 0.3101417 0.0000000 -0.3101417), wk = 0.0034247 k( 194) = ( 0.3168839 0.0000000 -0.3168839), wk = 0.0034247 k( 195) = ( 0.3236261 -0.0000000 -0.3236261), wk = 0.0034247 k( 196) = ( 0.3303683 0.0000000 -0.3303683), wk = 0.0034247 k( 197) = ( 0.3371105 -0.0000000 -0.3371105), wk = 0.0034247 k( 198) = ( 0.3438527 0.0000000 -0.3438527), wk = 0.0034247 k( 199) = ( 0.6561473 0.3438527 0.0000000), wk = 0.0034247 k( 200) = ( 0.6496411 0.3503589 0.0000000), wk = 0.0034247 k( 201) = ( 0.6431350 0.3568650 0.0000000), wk = 0.0034247 k( 202) = ( 0.6366289 0.3633711 0.0000000), wk = 0.0034247 k( 203) = ( 0.6301227 0.3698773 0.0000000), wk = 0.0034247 k( 204) = ( 0.6236166 0.3763834 0.0000000), wk = 0.0034247 k( 205) = ( 0.6171104 0.3828896 0.0000000), wk = 0.0034247 k( 206) = ( 0.6106043 0.3893957 0.0000000), wk = 0.0034247 k( 207) = ( 0.6040982 0.3959018 0.0000000), wk = 0.0034247 k( 208) = ( 0.5975920 0.4024080 0.0000000), wk = 0.0034247 k( 209) = ( 0.5910859 0.4089141 0.0000000), wk = 0.0034247 k( 210) = ( 0.5845798 0.4154202 0.0000000), wk = 0.0034247 k( 211) = ( 0.5780736 0.4219264 0.0000000), wk = 0.0034247 k( 212) = ( 0.5715675 0.4284325 0.0000000), wk = 0.0034247 k( 213) = ( 0.5650614 0.4349386 0.0000000), wk = 0.0034247 k( 214) = ( 0.5585552 0.4414448 0.0000000), wk = 0.0034247 k( 215) = ( 0.5520491 0.4479509 0.0000000), wk = 0.0034247 k( 216) = ( 0.5455429 0.4544570 0.0000000), wk = 0.0034247 k( 217) = ( 0.5390368 0.4609632 0.0000000), wk = 0.0034247 k( 218) = ( 0.5325307 0.4674693 0.0000000), wk = 0.0034247 k( 219) = ( 0.5260246 0.4739755 0.0000000), wk = 0.0034247 k( 220) = ( 0.5195184 0.4804816 0.0000000), wk = 0.0034247 k( 221) = ( 0.5130123 0.4869877 0.0000000), wk = 0.0034247 k( 222) = ( 0.5065061 0.4934939 0.0000000), wk = 0.0034247 k( 223) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 224) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 225) = ( 0.5173497 0.5173497 0.0208562), wk = 0.0034247 k( 226) = ( 0.5346994 0.5346994 0.0417123), wk = 0.0034247 k( 227) = ( 0.5520491 0.5520491 0.0625685), wk = 0.0034247 k( 228) = ( 0.5693988 0.5693988 0.0834247), wk = 0.0034247 k( 229) = ( 0.5867485 0.5867485 0.1042808), wk = 0.0034247 k( 230) = ( 0.6040982 0.6040982 0.1251370), wk = 0.0034247 k( 231) = ( 0.6214479 0.6214479 0.1459931), wk = 0.0034247 k( 232) = ( 0.6387976 0.6387976 0.1668493), wk = 0.0034247 k( 233) = ( 0.6561473 0.6561473 0.1877055), wk = 0.0034247 k( 234) = ( 0.6561473 0.6561473 0.1877055), wk = 0.0034247 k( 235) = ( 0.6523388 0.6523388 0.1953224), wk = 0.0034247 k( 236) = ( 0.6485303 0.6485303 0.2029393), wk = 0.0034247 k( 237) = ( 0.6447219 0.6447219 0.2105563), wk = 0.0034247 k( 238) = ( 0.6409134 0.6409134 0.2181732), wk = 0.0034247 k( 239) = ( 0.6371049 0.6371049 0.2257902), wk = 0.0034247 k( 240) = ( 0.6332965 0.6332965 0.2334071), wk = 0.0034247 k( 241) = ( 0.6294880 0.6294880 0.2410240), wk = 0.0034247 k( 242) = ( 0.6256795 0.6256795 0.2486410), wk = 0.0034247 k( 243) = ( 0.6218710 0.6218710 0.2562579), wk = 0.0034247 k( 244) = ( 0.6180626 0.6180626 0.2638749), wk = 0.0034247 k( 245) = ( 0.6142541 0.6142541 0.2714918), wk = 0.0034247 k( 246) = ( 0.6104456 0.6104456 0.2791087), wk = 0.0034247 k( 247) = ( 0.6066372 0.6066372 0.2867257), wk = 0.0034247 k( 248) = ( 0.6028287 0.6028287 0.2943426), wk = 0.0034247 k( 249) = ( 0.5990202 0.5990202 0.3019596), wk = 0.0034247 k( 250) = ( 0.5952118 0.5952118 0.3095765), wk = 0.0034247 k( 251) = ( 0.5914033 0.5914033 0.3171934), wk = 0.0034247 k( 252) = ( 0.5875948 0.5875948 0.3248104), wk = 0.0034247 k( 253) = ( 0.5837863 0.5837863 0.3324273), wk = 0.0034247 k( 254) = ( 0.5799779 0.5799779 0.3400443), wk = 0.0034247 k( 255) = ( 0.5761694 0.5761694 0.3476612), wk = 0.0034247 k( 256) = ( 0.5723609 0.5723609 0.3552781), wk = 0.0034247 k( 257) = ( 0.5685525 0.5685525 0.3628951), wk = 0.0034247 k( 258) = ( 0.5647440 0.5647440 0.3705120), wk = 0.0034247 k( 259) = ( 0.5609355 0.5609355 0.3781290), wk = 0.0034247 k( 260) = ( 0.5571270 0.5571271 0.3857459), wk = 0.0034247 k( 261) = ( 0.5533186 0.5533186 0.3933628), wk = 0.0034247 k( 262) = ( 0.5495101 0.5495101 0.4009798), wk = 0.0034247 k( 263) = ( 0.5457016 0.5457016 0.4085967), wk = 0.0034247 k( 264) = ( 0.5418932 0.5418932 0.4162137), wk = 0.0034247 k( 265) = ( 0.5380847 0.5380847 0.4238306), wk = 0.0034247 k( 266) = ( 0.5342762 0.5342762 0.4314475), wk = 0.0034247 k( 267) = ( 0.5304678 0.5304678 0.4390645), wk = 0.0034247 k( 268) = ( 0.5266593 0.5266593 0.4466814), wk = 0.0034247 k( 269) = ( 0.5228508 0.5228508 0.4542984), wk = 0.0034247 k( 270) = ( 0.5190423 0.5190423 0.4619153), wk = 0.0034247 k( 271) = ( 0.5152339 0.5152339 0.4695322), wk = 0.0034247 k( 272) = ( 0.5114254 0.5114254 0.4771492), wk = 0.0034247 k( 273) = ( 0.5076169 0.5076169 0.4847661), wk = 0.0034247 k( 274) = ( 0.5038085 0.5038085 0.4923831), wk = 0.0034247 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 276) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 277) = ( 0.5195184 0.0214908 0.0214908), wk = 0.0034247 k( 278) = ( 0.5390368 0.0429816 0.0429816), wk = 0.0034247 k( 279) = ( 0.5585552 0.0644724 0.0644724), wk = 0.0034247 k( 280) = ( 0.5780736 0.0859632 0.0859632), wk = 0.0034247 k( 281) = ( 0.5975920 0.1074540 0.1074540), wk = 0.0034247 k( 282) = ( 0.6171104 0.1289448 0.1289448), wk = 0.0034247 k( 283) = ( 0.6366289 0.1504356 0.1504356), wk = 0.0034247 k( 284) = ( 0.6561473 0.1719264 0.1719264), wk = 0.0034247 k( 285) = ( 0.6756657 0.1934172 0.1934172), wk = 0.0034247 k( 286) = ( 0.6951841 0.2149080 0.2149080), wk = 0.0034247 k( 287) = ( 0.7147025 0.2363988 0.2363988), wk = 0.0034247 k( 288) = ( 0.7342209 0.2578896 0.2578896), wk = 0.0034247 k( 289) = ( 0.7537393 0.2793803 0.2793803), wk = 0.0034247 k( 290) = ( 0.7732577 0.3008711 0.3008711), wk = 0.0034247 k( 291) = ( 0.7927761 0.3223619 0.3223619), wk = 0.0034247 k( 292) = ( 0.8122945 0.3438527 0.3438527), wk = 0.0034247 Dense grid: 119411 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 30543 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 220, 46) NL pseudopotentials 0.23 Mb ( 110, 136) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.03 Mb ( 3318) G-vector shells 0.02 Mb ( 2670) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 220, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./AgBiTe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.6 secs Computing kpt #: 13 total cpu time spent up to now is 10.1 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 secs Computing kpt #: 17 total cpu time spent up to now is 12.3 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 13.9 secs Computing kpt #: 21 total cpu time spent up to now is 14.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.6 secs Computing kpt #: 24 total cpu time spent up to now is 16.1 secs Computing kpt #: 25 total cpu time spent up to now is 16.8 secs Computing kpt #: 26 total cpu time spent up to now is 17.4 secs Computing kpt #: 27 total cpu time spent up to now is 17.9 secs Computing kpt #: 28 total cpu time spent up to now is 18.5 secs Computing kpt #: 29 total cpu time spent up to now is 19.1 secs Computing kpt #: 30 total cpu time spent up to now is 19.6 secs Computing kpt #: 31 total cpu time spent up to now is 20.2 secs Computing kpt #: 32 total cpu time spent up to now is 20.7 secs Computing kpt #: 33 total cpu time spent up to now is 21.3 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 22.9 secs Computing kpt #: 37 total cpu time spent up to now is 23.4 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.5 secs Computing kpt #: 40 total cpu time spent up to now is 25.0 secs Computing kpt #: 41 total cpu time spent up to now is 25.6 secs Computing kpt #: 42 total cpu time spent up to now is 26.1 secs Computing kpt #: 43 total cpu time spent up to now is 26.6 secs Computing kpt #: 44 total cpu time spent up to now is 27.1 secs Computing kpt #: 45 total cpu time spent up to now is 27.6 secs Computing kpt #: 46 total cpu time spent up to now is 28.1 secs Computing kpt #: 47 total cpu time spent up to now is 28.6 secs Computing kpt #: 48 total cpu time spent up to now is 29.2 secs Computing kpt #: 49 total cpu time spent up to now is 29.7 secs Computing kpt #: 50 total cpu time spent up to now is 30.2 secs Computing kpt #: 51 total cpu time spent up to now is 30.7 secs Computing kpt #: 52 total cpu time spent up to now is 31.2 secs Computing kpt #: 53 total cpu time spent up to now is 31.8 secs Computing kpt #: 54 total cpu time spent up to now is 32.3 secs Computing kpt #: 55 total cpu time spent up to now is 32.8 secs Computing kpt #: 56 total cpu time spent up to now is 33.4 secs Computing kpt #: 57 total cpu time spent up to now is 33.9 secs Computing kpt #: 58 total cpu time spent up to now is 34.5 secs Computing kpt #: 59 total cpu time spent up to now is 35.0 secs Computing kpt #: 60 total cpu time spent up to now is 35.7 secs Computing kpt #: 61 total cpu time spent up to now is 36.3 secs Computing kpt #: 62 total cpu time spent up to now is 36.9 secs Computing kpt #: 63 total cpu time spent up to now is 37.6 secs Computing kpt #: 64 total cpu time spent up to now is 38.2 secs Computing kpt #: 65 total cpu time spent up to now is 38.9 secs Computing kpt #: 66 total cpu time spent up to now is 39.4 secs Computing kpt #: 67 total cpu time spent up to now is 40.0 secs Computing kpt #: 68 total cpu time spent up to now is 40.6 secs Computing kpt #: 69 total cpu time spent up to now is 41.2 secs Computing kpt #: 70 total cpu time spent up to now is 41.8 secs Computing kpt #: 71 total cpu time spent up to now is 42.5 secs Computing kpt #: 72 total cpu time spent up to now is 43.1 secs Computing kpt #: 73 total cpu time spent up to now is 43.7 secs Computing kpt #: 74 total cpu time spent up to now is 44.4 secs Computing kpt #: 75 total cpu time spent up to now is 44.9 secs Computing kpt #: 76 total cpu time spent up to now is 45.6 secs Computing kpt #: 77 total cpu time spent up to now is 46.2 secs Computing kpt #: 78 total cpu time spent up to now is 46.9 secs Computing kpt #: 79 total cpu time spent up to now is 47.5 secs Computing kpt #: 80 total cpu time spent up to now is 48.2 secs Computing kpt #: 81 total cpu time spent up to now is 48.8 secs Computing kpt #: 82 total cpu time spent up to now is 49.5 secs Computing kpt #: 83 total cpu time spent up to now is 50.2 secs Computing kpt #: 84 total cpu time spent up to now is 50.8 secs Computing kpt #: 85 total cpu time spent up to now is 51.5 secs Computing kpt #: 86 total cpu time spent up to now is 52.1 secs Computing kpt #: 87 total cpu time spent up to now is 52.8 secs Computing kpt #: 88 total cpu time spent up to now is 53.5 secs Computing kpt #: 89 total cpu time spent up to now is 54.2 secs Computing kpt #: 90 total cpu time spent up to now is 55.0 secs Computing kpt #: 91 total cpu time spent up to now is 55.7 secs Computing kpt #: 92 total cpu time spent up to now is 56.2 secs Computing kpt #: 93 total cpu time spent up to now is 56.8 secs Computing kpt #: 94 total cpu time spent up to now is 57.3 secs Computing kpt #: 95 total cpu time spent up to now is 57.9 secs Computing kpt #: 96 total cpu time spent up to now is 58.5 secs Computing kpt #: 97 total cpu time spent up to now is 59.1 secs Computing kpt #: 98 total cpu time spent up to now is 59.7 secs Computing kpt #: 99 total cpu time spent up to now is 60.4 secs Computing kpt #: 100 total cpu time spent up to now is 61.0 secs Computing kpt #: 101 total cpu time spent up to now is 61.7 secs Computing kpt #: 102 total cpu time spent up to now is 62.3 secs Computing kpt #: 103 total cpu time spent up to now is 63.0 secs Computing kpt #: 104 total cpu time spent up to now is 63.6 secs Computing kpt #: 105 total cpu time spent up to now is 64.2 secs Computing kpt #: 106 total cpu time spent up to now is 64.7 secs Computing kpt #: 107 total cpu time spent up to now is 65.3 secs Computing kpt #: 108 total cpu time spent up to now is 65.8 secs Computing kpt #: 109 total cpu time spent up to now is 66.4 secs Computing kpt #: 110 total cpu time spent up to now is 66.9 secs Computing kpt #: 111 total cpu time spent up to now is 67.5 secs Computing kpt #: 112 total cpu time spent up to now is 68.1 secs Computing kpt #: 113 total cpu time spent up to now is 68.7 secs Computing kpt #: 114 total cpu time spent up to now is 69.4 secs Computing kpt #: 115 total cpu time spent up to now is 70.0 secs Computing kpt #: 116 total cpu time spent up to now is 70.7 secs Computing kpt #: 117 total cpu time spent up to now is 71.4 secs Computing kpt #: 118 total cpu time spent up to now is 72.0 secs Computing kpt #: 119 total cpu time spent up to now is 72.7 secs Computing kpt #: 120 total cpu time spent up to now is 73.3 secs Computing kpt #: 121 total cpu time spent up to now is 74.0 secs Computing kpt #: 122 total cpu time spent up to now is 74.7 secs Computing kpt #: 123 total cpu time spent up to now is 75.4 secs Computing kpt #: 124 total cpu time spent up to now is 76.0 secs Computing kpt #: 125 total cpu time spent up to now is 76.7 secs Computing kpt #: 126 total cpu time spent up to now is 77.3 secs Computing kpt #: 127 total cpu time spent up to now is 77.9 secs Computing kpt #: 128 total cpu time spent up to now is 78.4 secs Computing kpt #: 129 total cpu time spent up to now is 79.0 secs Computing kpt #: 130 total cpu time spent up to now is 79.5 secs Computing kpt #: 131 total cpu time spent up to now is 80.1 secs Computing kpt #: 132 total cpu time spent up to now is 80.6 secs Computing kpt #: 133 total cpu time spent up to now is 81.1 secs Computing kpt #: 134 total cpu time spent up to now is 81.7 secs Computing kpt #: 135 total cpu time spent up to now is 82.2 secs Computing kpt #: 136 total cpu time spent up to now is 82.7 secs Computing kpt #: 137 total cpu time spent up to now is 83.2 secs Computing kpt #: 138 total cpu time spent up to now is 83.7 secs Computing kpt #: 139 total cpu time spent up to now is 84.2 secs Computing kpt #: 140 total cpu time spent up to now is 84.7 secs Computing kpt #: 141 total cpu time spent up to now is 85.2 secs Computing kpt #: 142 total cpu time spent up to now is 85.7 secs Computing kpt #: 143 total cpu time spent up to now is 86.2 secs Computing kpt #: 144 total cpu time spent up to now is 86.7 secs Computing kpt #: 145 total cpu time spent up to now is 87.1 secs Computing kpt #: 146 total cpu time spent up to now is 87.6 secs Computing kpt #: 147 total cpu time spent up to now is 88.1 secs Computing kpt #: 148 total cpu time spent up to now is 88.6 secs Computing kpt #: 149 total cpu time spent up to now is 89.0 secs Computing kpt #: 150 total cpu time spent up to now is 89.5 secs Computing kpt #: 151 total cpu time spent up to now is 90.0 secs Computing kpt #: 152 total cpu time spent up to now is 90.5 secs Computing kpt #: 153 total cpu time spent up to now is 91.0 secs Computing kpt #: 154 total cpu time spent up to now is 91.5 secs Computing kpt #: 155 total cpu time spent up to now is 92.0 secs Computing kpt #: 156 total cpu time spent up to now is 92.5 secs Computing kpt #: 157 total cpu time spent up to now is 93.0 secs Computing kpt #: 158 total cpu time spent up to now is 93.7 secs Computing kpt #: 159 total cpu time spent up to now is 94.3 secs Computing kpt #: 160 total cpu time spent up to now is 95.0 secs Computing kpt #: 161 total cpu time spent up to now is 95.6 secs Computing kpt #: 162 total cpu time spent up to now is 96.3 secs Computing kpt #: 163 total cpu time spent up to now is 96.8 secs Computing kpt #: 164 total cpu time spent up to now is 97.4 secs Computing kpt #: 165 total cpu time spent up to now is 98.0 secs Computing kpt #: 166 total cpu time spent up to now is 98.5 secs Computing kpt #: 167 total cpu time spent up to now is 99.0 secs Computing kpt #: 168 total cpu time spent up to now is 99.6 secs Computing kpt #: 169 total cpu time spent up to now is 100.1 secs Computing kpt #: 170 total cpu time spent up to now is 100.6 secs Computing kpt #: 171 total cpu time spent up to now is 101.1 secs Computing kpt #: 172 total cpu time spent up to now is 101.6 secs Computing kpt #: 173 total cpu time spent up to now is 102.1 secs Computing kpt #: 174 total cpu time spent up to now is 102.6 secs Computing kpt #: 175 total cpu time spent up to now is 103.1 secs Computing kpt #: 176 total cpu time spent up to now is 103.7 secs Computing kpt #: 177 total cpu time spent up to now is 104.2 secs Computing kpt #: 178 total cpu time spent up to now is 104.7 secs Computing kpt #: 179 total cpu time spent up to now is 105.2 secs Computing kpt #: 180 total cpu time spent up to now is 105.7 secs Computing kpt #: 181 total cpu time spent up to now is 106.2 secs Computing kpt #: 182 total cpu time spent up to now is 106.7 secs Computing kpt #: 183 total cpu time spent up to now is 107.2 secs Computing kpt #: 184 total cpu time spent up to now is 107.7 secs Computing kpt #: 185 total cpu time spent up to now is 108.2 secs Computing kpt #: 186 total cpu time spent up to now is 108.7 secs Computing kpt #: 187 total cpu time spent up to now is 109.2 secs Computing kpt #: 188 total cpu time spent up to now is 109.7 secs Computing kpt #: 189 total cpu time spent up to now is 110.3 secs Computing kpt #: 190 total cpu time spent up to now is 110.8 secs Computing kpt #: 191 total cpu time spent up to now is 111.3 secs Computing kpt #: 192 total cpu time spent up to now is 111.9 secs Computing kpt #: 193 total cpu time spent up to now is 112.4 secs Computing kpt #: 194 total cpu time spent up to now is 112.9 secs Computing kpt #: 195 total cpu time spent up to now is 113.5 secs Computing kpt #: 196 total cpu time spent up to now is 114.0 secs Computing kpt #: 197 total cpu time spent up to now is 114.6 secs Computing kpt #: 198 total cpu time spent up to now is 115.1 secs Computing kpt #: 199 total cpu time spent up to now is 115.6 secs Computing kpt #: 200 total cpu time spent up to now is 116.2 secs Computing kpt #: 201 total cpu time spent up to now is 116.7 secs Computing kpt #: 202 total cpu time spent up to now is 117.3 secs Computing kpt #: 203 total cpu time spent up to now is 118.1 secs Computing kpt #: 204 total cpu time spent up to now is 118.6 secs Computing kpt #: 205 total cpu time spent up to now is 119.1 secs Computing kpt #: 206 total cpu time spent up to now is 119.7 secs Computing kpt #: 207 total cpu time spent up to now is 120.2 secs Computing kpt #: 208 total cpu time spent up to now is 120.7 secs Computing kpt #: 209 total cpu time spent up to now is 121.2 secs Computing kpt #: 210 total cpu time spent up to now is 121.7 secs Computing kpt #: 211 total cpu time spent up to now is 122.3 secs Computing kpt #: 212 total cpu time spent up to now is 122.8 secs Computing kpt #: 213 total cpu time spent up to now is 123.3 secs Computing kpt #: 214 total cpu time spent up to now is 123.8 secs Computing kpt #: 215 total cpu time spent up to now is 124.3 secs Computing kpt #: 216 total cpu time spent up to now is 124.8 secs Computing kpt #: 217 total cpu time spent up to now is 125.3 secs Computing kpt #: 218 total cpu time spent up to now is 125.8 secs Computing kpt #: 219 total cpu time spent up to now is 126.3 secs Computing kpt #: 220 total cpu time spent up to now is 126.7 secs Computing kpt #: 221 total cpu time spent up to now is 127.2 secs Computing kpt #: 222 total cpu time spent up to now is 127.7 secs Computing kpt #: 223 total cpu time spent up to now is 128.2 secs Computing kpt #: 224 total cpu time spent up to now is 128.7 secs Computing kpt #: 225 total cpu time spent up to now is 129.2 secs Computing kpt #: 226 total cpu time spent up to now is 129.7 secs Computing kpt #: 227 total cpu time spent up to now is 130.2 secs Computing kpt #: 228 total cpu time spent up to now is 130.7 secs Computing kpt #: 229 total cpu time spent up to now is 131.2 secs Computing kpt #: 230 total cpu time spent up to now is 131.7 secs Computing kpt #: 231 total cpu time spent up to now is 132.2 secs Computing kpt #: 232 total cpu time spent up to now is 132.7 secs Computing kpt #: 233 total cpu time spent up to now is 133.2 secs Computing kpt #: 234 total cpu time spent up to now is 133.7 secs Computing kpt #: 235 total cpu time spent up to now is 134.2 secs Computing kpt #: 236 total cpu time spent up to now is 134.7 secs Computing kpt #: 237 total cpu time spent up to now is 135.2 secs Computing kpt #: 238 total cpu time spent up to now is 135.7 secs Computing kpt #: 239 total cpu time spent up to now is 136.2 secs Computing kpt #: 240 total cpu time spent up to now is 136.7 secs Computing kpt #: 241 total cpu time spent up to now is 137.2 secs Computing kpt #: 242 total cpu time spent up to now is 137.7 secs Computing kpt #: 243 total cpu time spent up to now is 138.2 secs Computing kpt #: 244 total cpu time spent up to now is 138.7 secs Computing kpt #: 245 total cpu time spent up to now is 139.2 secs Computing kpt #: 246 total cpu time spent up to now is 139.7 secs Computing kpt #: 247 total cpu time spent up to now is 140.2 secs Computing kpt #: 248 total cpu time spent up to now is 140.7 secs Computing kpt #: 249 total cpu time spent up to now is 141.2 secs Computing kpt #: 250 total cpu time spent up to now is 141.7 secs Computing kpt #: 251 total cpu time spent up to now is 142.3 secs Computing kpt #: 252 total cpu time spent up to now is 142.8 secs Computing kpt #: 253 total cpu time spent up to now is 143.3 secs Computing kpt #: 254 total cpu time spent up to now is 143.9 secs Computing kpt #: 255 total cpu time spent up to now is 144.4 secs Computing kpt #: 256 total cpu time spent up to now is 145.0 secs Computing kpt #: 257 total cpu time spent up to now is 145.5 secs Computing kpt #: 258 total cpu time spent up to now is 146.0 secs Computing kpt #: 259 total cpu time spent up to now is 146.6 secs Computing kpt #: 260 total cpu time spent up to now is 147.1 secs Computing kpt #: 261 total cpu time spent up to now is 147.6 secs Computing kpt #: 262 total cpu time spent up to now is 148.2 secs Computing kpt #: 263 total cpu time spent up to now is 148.7 secs Computing kpt #: 264 total cpu time spent up to now is 149.2 secs Computing kpt #: 265 total cpu time spent up to now is 149.8 secs Computing kpt #: 266 total cpu time spent up to now is 150.3 secs Computing kpt #: 267 total cpu time spent up to now is 150.9 secs Computing kpt #: 268 total cpu time spent up to now is 151.4 secs Computing kpt #: 269 total cpu time spent up to now is 152.1 secs Computing kpt #: 270 total cpu time spent up to now is 152.8 secs Computing kpt #: 271 total cpu time spent up to now is 153.4 secs Computing kpt #: 272 total cpu time spent up to now is 154.1 secs Computing kpt #: 273 total cpu time spent up to now is 154.7 secs Computing kpt #: 274 total cpu time spent up to now is 155.4 secs Computing kpt #: 275 total cpu time spent up to now is 156.1 secs Computing kpt #: 276 total cpu time spent up to now is 156.6 secs Computing kpt #: 277 total cpu time spent up to now is 157.1 secs Computing kpt #: 278 total cpu time spent up to now is 157.6 secs Computing kpt #: 279 total cpu time spent up to now is 158.1 secs Computing kpt #: 280 total cpu time spent up to now is 158.7 secs Computing kpt #: 281 total cpu time spent up to now is 159.2 secs Computing kpt #: 282 total cpu time spent up to now is 159.7 secs Computing kpt #: 283 total cpu time spent up to now is 160.2 secs Computing kpt #: 284 total cpu time spent up to now is 160.8 secs Computing kpt #: 285 total cpu time spent up to now is 161.3 secs Computing kpt #: 286 total cpu time spent up to now is 161.8 secs Computing kpt #: 287 total cpu time spent up to now is 162.3 secs Computing kpt #: 288 total cpu time spent up to now is 162.8 secs Computing kpt #: 289 total cpu time spent up to now is 163.3 secs Computing kpt #: 290 total cpu time spent up to now is 163.8 secs Computing kpt #: 291 total cpu time spent up to now is 164.3 secs Computing kpt #: 292 total cpu time spent up to now is 164.8 secs ethr = 2.63E-08, avg # of iterations = 18.0 total cpu time spent up to now is 164.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3821 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4217 -4.4217 -1.9110 -1.9110 0.5426 0.5426 4.8298 4.8298 4.8909 4.8909 5.2448 5.2448 5.5926 5.5926 5.6397 5.6397 6.6065 6.6065 7.0750 7.0750 8.0502 8.0502 8.2832 8.2832 8.7903 8.7903 9.2256 9.2256 9.6259 9.6259 10.8966 10.8966 11.3583 11.3583 13.1929 13.1929 k = 0.0114-0.0170-0.0104 ( 3821 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4204 -4.4204 -1.9104 -1.9104 0.5426 0.5426 4.8294 4.8294 4.8904 4.8904 5.2441 5.2441 5.5917 5.5917 5.6390 5.6390 6.5940 6.5940 7.0781 7.0781 8.0583 8.0583 8.2856 8.2856 8.7806 8.7806 9.1990 9.1990 9.6497 9.6497 10.9054 10.9054 11.3562 11.3562 13.2057 13.2057 k = 0.0227-0.0341-0.0209 ( 3823 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1469 -12.1469 -12.1323 -12.1323 -4.4165 -4.4165 -1.9085 -1.9085 0.5423 0.5423 4.8282 4.8282 4.8889 4.8889 5.2418 5.2418 5.5888 5.5888 5.6373 5.6373 6.5589 6.5589 7.0858 7.0858 8.0799 8.0799 8.2940 8.2940 8.7504 8.7504 9.1369 9.1369 9.7053 9.7053 10.9312 10.9312 11.3511 11.3511 13.2434 13.2434 k = 0.0341-0.0511-0.0313 ( 3819 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1606 -12.1606 -12.1469 -12.1469 -12.1323 -12.1323 -4.4100 -4.4100 -1.9055 -1.9055 0.5419 0.5419 4.8261 4.8261 4.8864 4.8864 5.2381 5.2381 5.5836 5.5836 5.6348 5.6348 6.5070 6.5070 7.0948 7.0948 8.1073 8.1073 8.3114 8.3114 8.6993 8.6993 9.0656 9.0656 9.7698 9.7698 10.9713 10.9713 11.3465 11.3465 13.3038 13.3038 k = 0.0455-0.0681-0.0417 ( 3819 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1606 -12.1606 -12.1470 -12.1470 -12.1322 -12.1322 -4.4010 -4.4010 -1.9013 -1.9013 0.5411 0.5411 4.8227 4.8227 4.8832 4.8832 5.2329 5.2329 5.5756 5.5756 5.6319 5.6319 6.4444 6.4444 7.1024 7.1024 8.1297 8.1297 8.3376 8.3376 8.6336 8.6336 9.0000 9.0000 9.8309 9.8309 11.0212 11.0212 11.3484 11.3484 13.3837 13.3837 k = 0.0568-0.0852-0.0522 ( 3821 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1605 -12.1605 -12.1471 -12.1471 -12.1321 -12.1321 -4.3893 -4.3893 -1.8958 -1.8958 0.5400 0.5400 4.8177 4.8177 4.8795 4.8795 5.2261 5.2261 5.5644 5.5644 5.6289 5.6289 6.3764 6.3764 7.1068 7.1068 8.1395 8.1395 8.3486 8.3486 8.5847 8.5847 8.9439 8.9439 9.8829 9.8829 11.0738 11.0738 11.3650 11.3650 13.4792 13.4792 k = 0.0682-0.1022-0.0626 ( 3812 PWs) bands (ev): -15.1169 -15.1169 -15.1108 -15.1108 -12.1604 -12.1604 -12.1473 -12.1473 -12.1320 -12.1320 -4.3751 -4.3751 -1.8892 -1.8892 0.5383 0.5383 4.8108 4.8108 4.8756 4.8756 5.2177 5.2177 5.5498 5.5498 5.6261 5.6261 6.3069 6.3069 7.1076 7.1076 8.1328 8.1328 8.2985 8.2985 8.6050 8.6050 8.8958 8.8958 9.9236 9.9236 11.1212 11.1212 11.4047 11.4047 13.5856 13.5856 k = 0.0795-0.1192-0.0731 ( 3809 PWs) bands (ev): -15.1169 -15.1169 -15.1109 -15.1109 -12.1604 -12.1604 -12.1475 -12.1475 -12.1319 -12.1319 -4.3583 -4.3583 -1.8815 -1.8815 0.5358 0.5358 4.8015 4.8015 4.8718 4.8718 5.2074 5.2074 5.5317 5.5317 5.6236 5.6236 6.2391 6.2391 7.1045 7.1045 8.0930 8.0930 8.2219 8.2219 8.6767 8.6767 8.8551 8.8551 9.9525 9.9525 11.1605 11.1605 11.4702 11.4702 13.6975 13.6975 k = 0.0909-0.1363-0.0835 ( 3813 PWs) bands (ev): -15.1168 -15.1168 -15.1109 -15.1109 -12.1603 -12.1603 -12.1476 -12.1476 -12.1317 -12.1317 -4.3390 -4.3390 -1.8726 -1.8726 0.5324 0.5324 4.7895 4.7895 4.8683 4.8683 5.1949 5.1949 5.5105 5.5105 5.6212 5.6212 6.1750 6.1750 7.0975 7.0975 7.9945 7.9945 8.1798 8.1798 8.7471 8.7471 8.8388 8.8388 9.9706 9.9706 11.1962 11.1962 11.5561 11.5561 13.8075 13.8075 k = 0.1023-0.1533-0.0939 ( 3811 PWs) bands (ev): -15.1167 -15.1167 -15.1109 -15.1109 -12.1602 -12.1602 -12.1478 -12.1478 -12.1315 -12.1315 -4.3171 -4.3171 -1.8626 -1.8626 0.5278 0.5278 4.7748 4.7748 4.8650 4.8650 5.1801 5.1801 5.4869 5.4869 5.6190 5.6190 6.1161 6.1161 7.0862 7.0862 7.8642 7.8642 8.1592 8.1592 8.7424 8.7424 8.9055 8.9055 9.9807 9.9807 11.2338 11.2338 11.6545 11.6545 13.9054 13.9054 k = 0.1136-0.1703-0.1044 ( 3812 PWs) bands (ev): -15.1166 -15.1166 -15.1109 -15.1109 -12.1601 -12.1601 -12.1480 -12.1480 -12.1314 -12.1314 -4.2926 -4.2926 -1.8516 -1.8516 0.5218 0.5218 4.7574 4.7574 4.8619 4.8619 5.1624 5.1624 5.4619 5.4619 5.6169 5.6169 6.0633 6.0633 7.0701 7.0701 7.7258 7.7258 8.1429 8.1429 8.7073 8.7073 9.0027 9.0027 9.9868 9.9868 11.2766 11.2766 11.7593 11.7593 13.9775 13.9775 k = 0.1250-0.1874-0.1148 ( 3805 PWs) bands (ev): -15.1165 -15.1165 -15.1110 -15.1110 -12.1601 -12.1601 -12.1483 -12.1483 -12.1311 -12.1311 -4.2657 -4.2657 -1.8395 -1.8395 0.5140 0.5140 4.7375 4.7375 4.8590 4.8590 5.1416 5.1416 5.4367 5.4367 5.6148 5.6148 6.0167 6.0167 7.0478 7.0478 7.5879 7.5879 8.1270 8.1270 8.6684 8.6684 9.0969 9.0969 9.9947 9.9947 11.3254 11.3254 11.8659 11.8659 14.0103 14.0103 k = 0.1364-0.2044-0.1252 ( 3811 PWs) bands (ev): -15.1164 -15.1164 -15.1110 -15.1110 -12.1600 -12.1600 -12.1485 -12.1485 -12.1309 -12.1309 -4.2362 -4.2362 -1.8265 -1.8265 0.5043 0.5043 4.7153 4.7153 4.8559 4.8559 5.1175 5.1175 5.4123 5.4123 5.6126 5.6126 5.9759 5.9759 7.0167 7.0167 7.4565 7.4565 8.1105 8.1105 8.6291 8.6291 9.1778 9.1778 10.0112 10.0112 11.3797 11.3797 11.9704 11.9704 14.0001 14.0001 k = 0.1477-0.2214-0.1357 ( 3811 PWs) bands (ev): -15.1163 -15.1163 -15.1110 -15.1110 -12.1600 -12.1600 -12.1487 -12.1487 -12.1307 -12.1307 -4.2043 -4.2043 -1.8126 -1.8126 0.4922 0.4922 4.6914 4.6914 4.8527 4.8527 5.0903 5.0903 5.3898 5.3898 5.6103 5.6103 5.9404 5.9404 6.9719 6.9719 7.3386 7.3386 8.0929 8.0929 8.5900 8.5900 9.2380 9.2380 10.0433 10.0433 11.4381 11.4381 12.0694 12.0694 13.9579 13.9579 k = 0.1591-0.2385-0.1461 ( 3807 PWs) bands (ev): -15.1162 -15.1162 -15.1110 -15.1110 -12.1600 -12.1600 -12.1489 -12.1489 -12.1304 -12.1304 -4.1699 -4.1699 -1.7979 -1.7979 0.4776 0.4776 4.6660 4.6660 4.8492 4.8492 5.0606 5.0606 5.3693 5.3693 5.6079 5.6079 5.9093 5.9093 6.9070 6.9070 7.2424 7.2424 8.0741 8.0741 8.5515 8.5515 9.2730 9.2730 10.0953 10.0953 11.4990 11.4990 12.1591 12.1591 13.9007 13.9007 k = 0.1705-0.2555-0.1566 ( 3819 PWs) bands (ev): -15.1162 -15.1162 -15.1111 -15.1111 -12.1600 -12.1600 -12.1491 -12.1491 -12.1301 -12.1301 -4.1330 -4.1330 -1.7824 -1.7824 0.4601 0.4601 4.6399 4.6399 4.8452 4.8452 5.0291 5.0291 5.3508 5.3508 5.6052 5.6052 5.8818 5.8818 6.8202 6.8202 7.1714 7.1714 8.0540 8.0540 8.5139 8.5139 9.2829 9.2829 10.1662 10.1662 11.5606 11.5606 12.2359 12.2359 13.8445 13.8445 k = 0.1818-0.2725-0.1670 ( 3816 PWs) bands (ev): -15.1161 -15.1161 -15.1111 -15.1111 -12.1601 -12.1601 -12.1492 -12.1492 -12.1298 -12.1298 -4.0937 -4.0937 -1.7662 -1.7662 0.4395 0.4395 4.6136 4.6136 4.8407 4.8407 4.9968 4.9968 5.3336 5.3336 5.6023 5.6023 5.8570 5.8570 6.7179 6.7179 7.1206 7.1206 8.0325 8.0325 8.4772 8.4772 9.2721 9.2721 10.2510 10.2510 11.6208 11.6208 12.2967 12.2967 13.8018 13.8018 k = 0.1932-0.2896-0.1774 ( 3818 PWs) bands (ev): -15.1160 -15.1160 -15.1111 -15.1111 -12.1602 -12.1602 -12.1494 -12.1494 -12.1295 -12.1295 -4.0521 -4.0521 -1.7495 -1.7495 0.4155 0.4155 4.5876 4.5876 4.8353 4.8353 4.9645 4.9645 5.3168 5.3168 5.5992 5.5992 5.8342 5.8342 6.6099 6.6099 7.0823 7.0823 8.0095 8.0095 8.4415 8.4415 9.2457 9.2457 10.3422 10.3422 11.6776 11.6776 12.3403 12.3403 13.7817 13.7817 k = 0.2045-0.3066-0.1879 ( 3824 PWs) bands (ev): -15.1159 -15.1159 -15.1111 -15.1111 -12.1604 -12.1604 -12.1495 -12.1495 -12.1292 -12.1292 -4.0080 -4.0080 -1.7324 -1.7324 0.3881 0.3881 4.5626 4.5626 4.8289 4.8289 4.9330 4.9330 5.2994 5.2994 5.5958 5.5958 5.8127 5.8127 6.5036 6.5036 7.0508 7.0508 7.9850 7.9850 8.4068 8.4068 9.2085 9.2085 10.4324 10.4324 11.7287 11.7287 12.3695 12.3695 13.7884 13.7884 k = 0.2159-0.3236-0.1983 ( 3827 PWs) bands (ev): -15.1158 -15.1158 -15.1112 -15.1112 -12.1605 -12.1605 -12.1495 -12.1495 -12.1288 -12.1288 -3.9617 -3.9617 -1.7149 -1.7149 0.3572 0.3572 4.5388 4.5388 4.8208 4.8208 4.9032 4.9032 5.2803 5.2803 5.5922 5.5922 5.7921 5.7921 6.4040 6.4040 7.0231 7.0231 7.9590 7.9590 8.3731 8.3731 9.1639 9.1639 10.5143 10.5143 11.7728 11.7728 12.3908 12.3908 13.8218 13.8218 k = 0.2273-0.3407-0.2087 ( 3829 PWs) bands (ev): -15.1157 -15.1157 -15.1112 -15.1112 -12.1608 -12.1608 -12.1496 -12.1496 -12.1285 -12.1285 -3.9130 -3.9130 -1.6974 -1.6974 0.3226 0.3226 4.5163 4.5163 4.8099 4.8099 4.8763 4.8763 5.2585 5.2585 5.5886 5.5886 5.7721 5.7721 6.3145 6.3145 6.9977 6.9977 7.9316 7.9316 8.3403 8.3403 9.1141 9.1141 10.5805 10.5805 11.8106 11.8106 12.4125 12.4125 13.8781 13.8781 k = 0.2386-0.3577-0.2192 ( 3827 PWs) bands (ev): -15.1156 -15.1156 -15.1112 -15.1112 -12.1610 -12.1610 -12.1496 -12.1496 -12.1281 -12.1281 -3.8622 -3.8622 -1.6799 -1.6799 0.2845 0.2845 4.4950 4.4950 4.7943 4.7943 4.8541 4.8541 5.2335 5.2335 5.5851 5.5851 5.7527 5.7527 6.2372 6.2372 6.9739 6.9739 7.9028 7.9028 8.3082 8.3082 9.0606 9.0606 10.6241 10.6241 11.8458 11.8458 12.4417 12.4417 13.9512 13.9512 k = 0.2500-0.3747-0.2296 ( 3823 PWs) bands (ev): -15.1155 -15.1155 -15.1112 -15.1112 -12.1613 -12.1613 -12.1496 -12.1496 -12.1277 -12.1277 -3.8091 -3.8091 -1.6627 -1.6627 0.2429 0.2429 4.4744 4.4744 4.7725 4.7725 4.8375 4.8375 5.2056 5.2056 5.5821 5.5821 5.7343 5.7343 6.1731 6.1731 6.9513 6.9513 7.8728 7.8728 8.2768 8.2768 9.0042 9.0042 10.6399 10.6399 11.8844 11.8844 12.4813 12.4813 14.0304 14.0304 k = 0.2614-0.3918-0.2400 ( 3827 PWs) bands (ev): -15.1155 -15.1155 -15.1111 -15.1111 -12.1617 -12.1617 -12.1496 -12.1496 -12.1274 -12.1274 -3.7539 -3.7539 -1.6460 -1.6460 0.1981 0.1981 4.4536 4.4536 4.7452 4.7452 4.8252 4.8252 5.1764 5.1764 5.5799 5.5799 5.7175 5.7175 6.1220 6.1220 6.9297 6.9297 7.8418 7.8418 8.2459 8.2459 8.9454 8.9454 10.6259 10.6259 11.9316 11.9316 12.5314 12.5314 14.0497 14.0497 k = 0.2727-0.4088-0.2505 ( 3828 PWs) bands (ev): -15.1154 -15.1154 -15.1111 -15.1111 -12.1620 -12.1620 -12.1495 -12.1495 -12.1270 -12.1270 -3.6966 -3.6966 -1.6302 -1.6302 0.1504 0.1504 4.4313 4.4313 4.7135 4.7135 4.8152 4.8152 5.1488 5.1488 5.5791 5.5791 5.7026 5.7026 6.0827 6.0827 6.9092 6.9092 7.8099 7.8099 8.2153 8.2153 8.8845 8.8845 10.5844 10.5844 11.9893 11.9893 12.5904 12.5904 14.0247 14.0247 k = 0.2841-0.4258-0.2609 ( 3821 PWs) bands (ev): -15.1154 -15.1154 -15.1111 -15.1111 -12.1624 -12.1624 -12.1495 -12.1495 -12.1266 -12.1266 -3.6373 -3.6373 -1.6155 -1.6155 0.1003 0.1003 4.4060 4.4060 4.6784 4.6784 4.8062 4.8062 5.1266 5.1266 5.5800 5.5800 5.6900 5.6900 6.0532 6.0532 6.8895 6.8895 7.7774 7.7774 8.1848 8.1848 8.8212 8.8212 10.5208 10.5208 12.0559 12.0559 12.6563 12.6563 13.9993 13.9993 k = 0.2955-0.4429-0.2714 ( 3823 PWs) bands (ev): -15.1153 -15.1153 -15.1111 -15.1111 -12.1628 -12.1628 -12.1494 -12.1494 -12.1262 -12.1262 -3.5760 -3.5760 -1.6023 -1.6023 0.0481 0.0481 4.3755 4.3755 4.6409 4.6409 4.7972 4.7972 5.1134 5.1134 5.5827 5.5827 5.6797 5.6797 6.0316 6.0316 6.8709 6.8709 7.7445 7.7445 8.1544 8.1544 8.7556 8.7556 10.4415 10.4415 12.1278 12.1278 12.7276 12.7276 13.9764 13.9764 k = 0.3068-0.4599-0.2818 ( 3819 PWs) bands (ev): -15.1153 -15.1153 -15.1110 -15.1110 -12.1632 -12.1632 -12.1493 -12.1493 -12.1258 -12.1258 -3.5129 -3.5129 -1.5912 -1.5912 -0.0055 -0.0055 4.3382 4.3382 4.6029 4.6029 4.7880 4.7880 5.1113 5.1113 5.5873 5.5873 5.6715 5.6715 6.0162 6.0162 6.8532 6.8532 7.7113 7.7113 8.1238 8.1238 8.6872 8.6872 10.3525 10.3525 12.2013 12.2013 12.8031 12.8031 13.9564 13.9564 k = 0.3182-0.4769-0.2922 ( 3810 PWs) bands (ev): -15.1153 -15.1153 -15.1110 -15.1110 -12.1636 -12.1636 -12.1492 -12.1492 -12.1254 -12.1254 -3.4481 -3.4481 -1.5824 -1.5824 -0.0598 -0.0598 4.2929 4.2929 4.5669 4.5669 4.7786 4.7786 5.1209 5.1209 5.5939 5.5939 5.6652 5.6652 6.0057 6.0057 6.8364 6.8364 7.6781 7.6781 8.0930 8.0930 8.6160 8.6160 10.2588 10.2588 12.2733 12.2733 12.8815 12.8815 13.9390 13.9390 k = 0.3295-0.4940-0.3027 ( 3810 PWs) bands (ev): -15.1153 -15.1153 -15.1109 -15.1109 -12.1640 -12.1640 -12.1491 -12.1491 -12.1250 -12.1250 -3.3816 -3.3816 -1.5767 -1.5767 -0.1142 -0.1142 4.2396 4.2396 4.5343 4.5343 4.7690 4.7690 5.1415 5.1415 5.6024 5.6024 5.6608 5.6608 5.9988 5.9988 6.8207 6.8207 7.6449 7.6449 8.0616 8.0616 8.5416 8.5416 10.1645 10.1645 12.3416 12.3416 12.9614 12.9614 13.9240 13.9240 k = 0.3409-0.5110-0.3131 ( 3806 PWs) bands (ev): -15.1152 -15.1152 -15.1109 -15.1109 -12.1644 -12.1644 -12.1490 -12.1490 -12.1247 -12.1247 -3.3136 -3.3136 -1.5746 -1.5746 -0.1678 -0.1678 4.1800 4.1800 4.5058 4.5058 4.7595 4.7595 5.1716 5.1716 5.6127 5.6127 5.6584 5.6584 5.9947 5.9947 6.8059 6.8059 7.6119 7.6119 8.0295 8.0295 8.4644 8.4644 10.0725 10.0725 12.4049 12.4049 13.0414 13.0414 13.9110 13.9110 k = 0.3523-0.5280-0.3235 ( 3805 PWs) bands (ev): -15.1152 -15.1152 -15.1108 -15.1108 -12.1648 -12.1648 -12.1489 -12.1489 -12.1243 -12.1243 -3.2443 -3.2443 -1.5766 -1.5766 -0.2197 -0.2197 4.1165 4.1165 4.4810 4.4810 4.7501 4.7501 5.2091 5.2091 5.6243 5.6243 5.6588 5.6588 5.9927 5.9927 6.7921 6.7921 7.5792 7.5792 7.9959 7.9959 8.3848 8.3848 9.9852 9.9852 12.4625 12.4625 13.1200 13.1200 13.8999 13.8999 k = 0.3636-0.5451-0.3340 ( 3813 PWs) bands (ev): -15.1152 -15.1152 -15.1108 -15.1108 -12.1651 -12.1651 -12.1488 -12.1488 -12.1240 -12.1240 -3.1737 -3.1737 -1.5833 -1.5833 -0.2693 -0.2693 4.0514 4.0514 4.4591 4.4591 4.7411 4.7411 5.2517 5.2517 5.6351 5.6351 5.6648 5.6648 5.9924 5.9924 6.7792 6.7792 7.5467 7.5467 7.9601 7.9601 8.3043 8.3043 9.9040 9.9040 12.5145 12.5145 13.1957 13.1957 13.8900 13.8900 k = 0.3750-0.5621-0.3444 ( 3810 PWs) bands (ev): -15.1152 -15.1152 -15.1107 -15.1107 -12.1655 -12.1655 -12.1487 -12.1487 -12.1237 -12.1237 -3.1022 -3.1022 -1.5953 -1.5953 -0.3156 -0.3156 3.9866 3.9866 4.4398 4.4398 4.7325 4.7325 5.2970 5.2970 5.6420 5.6420 5.6809 5.6809 5.9934 5.9934 6.7671 6.7671 7.5143 7.5143 7.9204 7.9204 8.2252 8.2252 9.8299 9.8299 12.5608 12.5608 13.2672 13.2672 13.8810 13.8810 k = 0.3864-0.5791-0.3548 ( 3812 PWs) bands (ev): -15.1153 -15.1153 -15.1106 -15.1106 -12.1658 -12.1658 -12.1486 -12.1486 -12.1234 -12.1234 -3.0300 -3.0300 -1.6130 -1.6130 -0.3581 -0.3581 3.9239 3.9239 4.4226 4.4226 4.7244 4.7244 5.3416 5.3416 5.6460 5.6460 5.7080 5.7080 5.9954 5.9954 6.7557 6.7557 7.4814 7.4814 7.8745 7.8745 8.1512 8.1512 9.7636 9.7636 12.6019 12.6019 13.3337 13.3337 13.8725 13.8725 k = 0.3977-0.5962-0.3653 ( 3812 PWs) bands (ev): -15.1153 -15.1153 -15.1106 -15.1106 -12.1661 -12.1661 -12.1485 -12.1485 -12.1231 -12.1231 -2.9574 -2.9574 -1.6366 -1.6366 -0.3960 -0.3960 3.8643 3.8643 4.4072 4.4072 4.7169 4.7169 5.3826 5.3826 5.6492 5.6492 5.7455 5.7455 5.9982 5.9982 6.7449 6.7449 7.4473 7.4473 7.8204 7.8204 8.0865 8.0865 9.7050 9.7050 12.6381 12.6381 13.3946 13.3946 13.8638 13.8638 k = 0.4091-0.6132-0.3757 ( 3812 PWs) bands (ev): -15.1153 -15.1153 -15.1105 -15.1105 -12.1664 -12.1664 -12.1484 -12.1484 -12.1228 -12.1228 -2.8848 -2.8848 -1.6660 -1.6660 -0.4292 -0.4292 3.8089 3.8089 4.3936 4.3936 4.7100 4.7100 5.4172 5.4172 5.6525 5.6525 5.7940 5.7940 6.0019 6.0019 6.7343 6.7343 7.4105 7.4105 7.7582 7.7582 8.0338 8.0338 9.6542 9.6542 12.6697 12.6697 13.4497 13.4497 13.8547 13.8547 k = 0.4205-0.6302-0.3862 ( 3810 PWs) bands (ev): -15.1153 -15.1153 -15.1105 -15.1105 -12.1667 -12.1667 -12.1483 -12.1483 -12.1226 -12.1226 -2.8128 -2.8128 -1.7007 -1.7007 -0.4575 -0.4575 3.7586 3.7586 4.3816 4.3816 4.7038 4.7038 5.4445 5.4445 5.6561 5.6561 5.8526 5.8526 6.0069 6.0069 6.7236 6.7236 7.3691 7.3691 7.6923 7.6923 7.9928 7.9928 9.6106 9.6106 12.6969 12.6969 13.4992 13.4992 13.8446 13.8446 k = 0.4318-0.6473-0.3966 ( 3804 PWs) bands (ev): -15.1153 -15.1153 -15.1104 -15.1104 -12.1669 -12.1669 -12.1483 -12.1483 -12.1224 -12.1224 -2.7421 -2.7421 -1.7400 -1.7400 -0.4809 -0.4809 3.7138 3.7138 4.3712 4.3712 4.6983 4.6983 5.4649 5.4649 5.6598 5.6598 5.9170 5.9170 6.0158 6.0158 6.7122 6.7122 7.3204 7.3204 7.6297 7.6297 7.9614 7.9614 9.5741 9.5741 12.7201 12.7201 13.5435 13.5435 13.8333 13.8333 k = 0.4432-0.6643-0.4070 ( 3810 PWs) bands (ev): -15.1153 -15.1153 -15.1104 -15.1104 -12.1671 -12.1671 -12.1482 -12.1482 -12.1222 -12.1222 -2.6739 -2.6739 -1.7826 -1.7826 -0.4997 -0.4997 3.6751 3.6751 4.3624 4.3624 4.6936 4.6936 5.4795 5.4795 5.6634 5.6634 5.9710 5.9710 6.0422 6.0422 6.6990 6.6990 7.2632 7.2632 7.5766 7.5766 7.9373 7.9373 9.5440 9.5440 12.7394 12.7394 13.5831 13.5831 13.8206 13.8206 k = 0.4545-0.6813-0.4175 ( 3814 PWs) bands (ev): -15.1153 -15.1153 -15.1104 -15.1104 -12.1673 -12.1673 -12.1482 -12.1482 -12.1221 -12.1221 -2.6097 -2.6097 -1.8266 -1.8266 -0.5144 -0.5144 3.6429 3.6429 4.3552 4.3552 4.6897 4.6897 5.4898 5.4898 5.6666 5.6666 5.9926 5.9926 6.1049 6.1049 6.6827 6.6827 7.2000 7.2000 7.5362 7.5362 7.9189 7.9189 9.5200 9.5200 12.7551 12.7551 13.6187 13.6187 13.8062 13.8062 k = 0.4659-0.6984-0.4279 ( 3810 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1674 -12.1674 -12.1481 -12.1481 -12.1219 -12.1219 -2.5519 -2.5519 -1.8690 -1.8690 -0.5252 -0.5252 3.6175 3.6175 4.3496 4.3496 4.6866 4.6866 5.4968 5.4968 5.6694 5.6694 5.9998 5.9998 6.1821 6.1821 6.6617 6.6617 7.1374 7.1374 7.5076 7.5076 7.9052 7.9052 9.5018 9.5018 12.7671 12.7671 13.6507 13.6507 13.7901 13.7901 k = 0.4773-0.7154-0.4383 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1219 -12.1219 -2.5043 -2.5043 -1.9060 -1.9060 -0.5326 -0.5326 3.5992 3.5992 4.3456 4.3456 4.6843 4.6843 5.5013 5.5013 5.6714 5.6714 6.0031 6.0031 6.2575 6.2575 6.6350 6.6350 7.0841 7.0841 7.4889 7.4889 7.8957 7.8957 9.4890 9.4890 12.7756 12.7756 13.6796 13.6796 13.7721 13.7721 k = 0.4886-0.7324-0.4488 ( 3812 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4721 -2.4721 -1.9319 -1.9319 -0.5370 -0.5370 3.5882 3.5882 4.3432 4.3432 4.6830 4.6830 5.5038 5.5038 5.6727 5.6727 6.0047 6.0047 6.3182 6.3182 6.6069 6.6069 7.0484 7.0484 7.4784 7.4784 7.8900 7.8900 9.4814 9.4814 12.7807 12.7807 13.7057 13.7057 13.7525 13.7525 k = 0.5000-0.7495-0.4592 ( 3822 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4605 -2.4605 -1.9415 -1.9415 -0.5384 -0.5384 3.5845 3.5845 4.3424 4.3424 4.6825 4.6825 5.5046 5.5046 5.6732 5.6732 6.0052 6.0052 6.3435 6.3435 6.5929 6.5929 7.0359 7.0359 7.4750 7.4750 7.8882 7.8882 9.4789 9.4789 12.7824 12.7824 13.7255 13.7255 13.7348 13.7348 k = 0.5000-0.7495-0.4592 ( 3822 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4605 -2.4605 -1.9415 -1.9415 -0.5384 -0.5384 3.5845 3.5845 4.3424 4.3424 4.6825 4.6825 5.5046 5.5046 5.6732 5.6732 6.0052 6.0052 6.3435 6.3435 6.5929 6.5929 7.0359 7.0359 7.4750 7.4750 7.8882 7.8882 9.4789 9.4789 12.7824 12.7824 13.7255 13.7255 13.7348 13.7348 k = 0.5000-0.7374-0.4789 ( 3814 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4592 -2.4592 -1.9407 -1.9407 -0.5402 -0.5402 3.5856 3.5856 4.3431 4.3431 4.6834 4.6834 5.5040 5.5040 5.6723 5.6723 6.0040 6.0040 6.3436 6.3436 6.5818 6.5818 7.0233 7.0233 7.4793 7.4793 7.8991 7.8991 9.4962 9.4962 12.7708 12.7708 13.6898 13.6898 13.7683 13.7683 k = 0.5000-0.7253-0.4986 ( 3808 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1482 -12.1482 -12.1218 -12.1218 -2.4553 -2.4553 -1.9383 -1.9383 -0.5458 -0.5458 3.5890 3.5890 4.3455 4.3455 4.6859 4.6859 5.5021 5.5021 5.6696 5.6696 6.0003 6.0003 6.3430 6.3430 6.5505 6.5505 6.9925 6.9925 7.4808 7.4808 7.9373 7.9373 9.5464 9.5464 12.7370 12.7370 13.6439 13.6439 13.8069 13.8069 k = 0.5000-0.7132-0.5184 ( 3806 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1674 -12.1674 -12.1482 -12.1482 -12.1218 -12.1218 -2.4488 -2.4488 -1.9343 -1.9343 -0.5551 -0.5551 3.5946 3.5946 4.3492 4.3492 4.6900 4.6900 5.4989 5.4989 5.6653 5.6653 5.9937 5.9937 6.3371 6.3371 6.5068 6.5068 6.9546 6.9546 7.4631 7.4631 8.0093 8.0093 9.6252 9.6252 12.6834 12.6834 13.5889 13.5889 13.8483 13.8483 k = 0.5000-0.7012-0.5381 ( 3802 PWs) bands (ev): -15.1152 -15.1152 -15.1104 -15.1104 -12.1672 -12.1672 -12.1484 -12.1484 -12.1219 -12.1219 -2.4396 -2.4396 -1.9288 -1.9288 -0.5682 -0.5682 3.6025 3.6025 4.3545 4.3545 4.6958 4.6958 5.4942 5.4942 5.6592 5.6592 5.9829 5.9829 6.3155 6.3155 6.4670 6.4670 6.9149 6.9149 7.4251 7.4251 8.1114 8.1114 9.7271 9.7271 12.6134 12.6134 13.5224 13.5224 13.8932 13.8932 k = 0.5000-0.6891-0.5578 ( 3812 PWs) bands (ev): -15.1152 -15.1152 -15.1104 -15.1104 -12.1670 -12.1670 -12.1485 -12.1485 -12.1219 -12.1219 -2.4279 -2.4279 -1.9218 -1.9218 -0.5849 -0.5849 3.6125 3.6125 4.3610 4.3610 4.7031 4.7031 5.4877 5.4877 5.6515 5.6515 5.9659 5.9659 6.2697 6.2697 6.4469 6.4469 6.8735 6.8735 7.3760 7.3760 8.2343 8.2343 9.8467 9.8467 12.5307 12.5307 13.4435 13.4435 13.9418 13.9418 k = 0.5000-0.6770-0.5775 ( 3808 PWs) bands (ev): -15.1151 -15.1151 -15.1105 -15.1105 -12.1668 -12.1668 -12.1487 -12.1487 -12.1220 -12.1220 -2.4136 -2.4136 -1.9133 -1.9133 -0.6054 -0.6054 3.6246 3.6246 4.3687 4.3687 4.7120 4.7120 5.4791 5.4791 5.6422 5.6422 5.9391 5.9391 6.2119 6.2119 6.4417 6.4417 6.8295 6.8295 7.3256 7.3256 8.3701 8.3701 9.9791 9.9791 12.4385 12.4385 13.3522 13.3522 13.9940 13.9940 k = 0.5000-0.6649-0.5972 ( 3806 PWs) bands (ev): -15.1150 -15.1150 -15.1105 -15.1105 -12.1665 -12.1665 -12.1489 -12.1489 -12.1221 -12.1221 -2.3967 -2.3967 -1.9033 -1.9033 -0.6295 -0.6295 3.6389 3.6389 4.3774 4.3774 4.7223 4.7223 5.4678 5.4678 5.6308 5.6308 5.8982 5.8982 6.1595 6.1595 6.4389 6.4389 6.7845 6.7845 7.2806 7.2806 8.5134 8.5134 10.1205 10.1205 12.3403 12.3403 13.2491 13.2491 14.0500 14.0500 k = 0.5000-0.6528-0.6169 ( 3794 PWs) bands (ev): -15.1149 -15.1149 -15.1106 -15.1106 -12.1662 -12.1662 -12.1491 -12.1491 -12.1221 -12.1221 -2.3772 -2.3772 -1.8920 -1.8920 -0.6574 -0.6574 3.6552 3.6552 4.3868 4.3868 4.7340 4.7340 5.4532 5.4532 5.6167 5.6167 5.8433 5.8433 6.1213 6.1213 6.4280 6.4280 6.7446 6.7446 7.2442 7.2442 8.6604 8.6604 10.2672 10.2672 12.2392 12.2392 13.1358 13.1358 14.1098 14.1098 k = 0.5000-0.6408-0.6367 ( 3800 PWs) bands (ev): -15.1148 -15.1148 -15.1107 -15.1107 -12.1658 -12.1658 -12.1494 -12.1494 -12.1222 -12.1222 -2.3551 -2.3551 -1.8794 -1.8794 -0.6889 -0.6889 3.6735 3.6735 4.3967 4.3967 4.7468 4.7468 5.4341 5.4341 5.5978 5.5978 5.7817 5.7817 6.0961 6.0961 6.4003 6.4003 6.7190 6.7190 7.2168 7.2168 8.8084 8.8084 10.4163 10.4163 12.1385 12.1385 13.0140 13.0140 14.1737 14.1737 k = 0.5000-0.6287-0.6564 ( 3802 PWs) bands (ev): -15.1147 -15.1147 -15.1108 -15.1108 -12.1655 -12.1655 -12.1497 -12.1497 -12.1223 -12.1223 -2.3305 -2.3305 -1.8655 -1.8655 -0.7240 -0.7240 3.6936 3.6936 4.4066 4.4066 4.7606 4.7606 5.4091 5.4091 5.5711 5.5711 5.7245 5.7245 6.0793 6.0793 6.3538 6.3538 6.7126 6.7126 7.1974 7.1974 8.9545 8.9545 10.5641 10.5641 12.0419 12.0419 12.8858 12.8858 14.2418 14.2418 k = 0.5000-0.6166-0.6761 ( 3796 PWs) bands (ev): -15.1146 -15.1146 -15.1109 -15.1109 -12.1651 -12.1651 -12.1501 -12.1501 -12.1223 -12.1223 -2.3033 -2.3033 -1.8505 -1.8505 -0.7626 -0.7626 3.7155 3.7155 4.4162 4.4162 4.7750 4.7750 5.3763 5.3763 5.5340 5.5340 5.6809 5.6809 6.0667 6.0667 6.2948 6.2948 6.7228 6.7228 7.1842 7.1842 9.0964 9.0964 10.7067 10.7067 11.9542 11.9542 12.7533 12.7533 14.3146 14.3146 k = 0.5000-0.6045-0.6958 ( 3802 PWs) bands (ev): -15.1145 -15.1145 -15.1110 -15.1110 -12.1646 -12.1646 -12.1504 -12.1504 -12.1224 -12.1224 -2.2736 -2.2736 -1.8345 -1.8345 -0.8048 -0.8048 3.7391 3.7391 4.4247 4.4247 4.7894 4.7894 5.3345 5.3345 5.4896 5.4896 5.6518 5.6518 6.0551 6.0551 6.2329 6.2329 6.7442 6.7442 7.1759 7.1759 9.2308 9.2308 10.8383 10.8383 11.8821 11.8821 12.6190 12.6190 14.3922 14.3922 k = 0.5000-0.5924-0.7155 ( 3798 PWs) bands (ev): -15.1144 -15.1144 -15.1111 -15.1111 -12.1642 -12.1642 -12.1508 -12.1508 -12.1225 -12.1225 -2.2414 -2.2414 -1.8175 -1.8175 -0.8505 -0.8505 3.7642 3.7642 4.4314 4.4314 4.8031 4.8031 5.2854 5.2854 5.4442 5.4442 5.6322 5.6322 6.0407 6.0407 6.1775 6.1775 6.7729 6.7729 7.1714 7.1714 9.3546 9.3546 10.9510 10.9510 11.8343 11.8343 12.4856 12.4856 14.4748 14.4748 k = 0.5000-0.5804-0.7352 ( 3798 PWs) bands (ev): -15.1142 -15.1142 -15.1112 -15.1112 -12.1637 -12.1637 -12.1512 -12.1512 -12.1225 -12.1225 -2.2067 -2.2067 -1.7998 -1.7998 -0.8994 -0.8994 3.7906 3.7906 4.4357 4.4357 4.8146 4.8146 5.2331 5.2331 5.4001 5.4001 5.6179 5.6179 6.0188 6.0188 6.1369 6.1369 6.8064 6.8064 7.1699 7.1699 9.4635 9.4635 11.0351 11.0351 11.8207 11.8207 12.3572 12.3572 14.5626 14.5626 k = 0.5000-0.5683-0.7549 ( 3794 PWs) bands (ev): -15.1141 -15.1141 -15.1113 -15.1113 -12.1632 -12.1632 -12.1516 -12.1516 -12.1226 -12.1226 -2.1695 -2.1695 -1.7814 -1.7814 -0.9517 -0.9517 3.8182 3.8182 4.4364 4.4364 4.8216 4.8216 5.1833 5.1833 5.3575 5.3575 5.6069 5.6069 5.9885 5.9885 6.1143 6.1143 6.8433 6.8433 7.1708 7.1708 9.5530 9.5530 11.0849 11.0849 11.8447 11.8447 12.2407 12.2407 14.6554 14.6554 k = 0.5000-0.5562-0.7747 ( 3796 PWs) bands (ev): -15.1140 -15.1140 -15.1115 -15.1115 -12.1627 -12.1627 -12.1521 -12.1521 -12.1226 -12.1226 -2.1299 -2.1299 -1.7624 -1.7624 -1.0071 -1.0071 3.8465 3.8465 4.4329 4.4329 4.8209 4.8209 5.1415 5.1415 5.3169 5.3169 5.5985 5.5985 5.9558 5.9558 6.1043 6.1043 6.8829 6.8829 7.1735 7.1735 9.6185 9.6185 11.1039 11.1039 11.8886 11.8886 12.1547 12.1547 14.7526 14.7526 k = 0.5000-0.5441-0.7944 ( 3794 PWs) bands (ev): -15.1138 -15.1138 -15.1116 -15.1116 -12.1622 -12.1622 -12.1525 -12.1525 -12.1227 -12.1227 -2.0879 -2.0879 -1.7431 -1.7431 -1.0654 -1.0654 3.8754 3.8754 4.4243 4.4243 4.8086 4.8086 5.1124 5.1124 5.2802 5.2802 5.5925 5.5925 5.9265 5.9265 6.1011 6.1011 6.9244 6.9244 7.1779 7.1779 9.6565 9.6565 11.1008 11.1008 11.8993 11.8993 12.1469 12.1469 14.8522 14.8522 k = 0.5000-0.5321-0.8141 ( 3798 PWs) bands (ev): -15.1137 -15.1137 -15.1117 -15.1117 -12.1617 -12.1617 -12.1530 -12.1530 -12.1227 -12.1227 -2.0435 -2.0435 -1.7235 -1.7235 -1.1266 -1.1266 3.9043 3.9043 4.4106 4.4106 4.7828 4.7828 5.0981 5.0981 5.2495 5.2495 5.5889 5.5889 5.9025 5.9025 6.1020 6.1020 6.9674 6.9674 7.1838 7.1838 9.6655 9.6655 11.0801 11.0801 11.8651 11.8651 12.2257 12.2257 14.9476 14.9476 k = 0.5000-0.5200-0.8338 ( 3798 PWs) bands (ev): -15.1135 -15.1135 -15.1118 -15.1118 -12.1612 -12.1612 -12.1535 -12.1535 -12.1227 -12.1227 -1.9969 -1.9969 -1.7040 -1.7040 -1.1905 -1.1905 3.9325 3.9325 4.3920 4.3920 4.7451 4.7451 5.0963 5.0963 5.2270 5.2270 5.5881 5.5881 5.8840 5.8840 6.1055 6.1055 7.0118 7.0118 7.1908 7.1908 9.6467 9.6467 11.0392 11.0392 11.8393 11.8393 12.3388 12.3388 15.0147 15.0147 k = 0.5000-0.5079-0.8535 ( 3800 PWs) bands (ev): -15.1134 -15.1134 -15.1120 -15.1120 -12.1608 -12.1608 -12.1539 -12.1539 -12.1227 -12.1227 -1.9480 -1.9480 -1.6846 -1.6846 -1.2567 -1.2567 3.9591 3.9591 4.3698 4.3698 4.6997 4.6997 5.1029 5.1029 5.2139 5.2139 5.5902 5.5902 5.8706 5.8706 6.1113 6.1113 7.0570 7.0570 7.1989 7.1989 9.6037 9.6037 10.9750 10.9750 11.8449 11.8449 12.4620 12.4620 15.0211 15.0211 k = 0.5000-0.4958-0.8732 ( 3798 PWs) bands (ev): -15.1132 -15.1132 -15.1121 -15.1121 -12.1604 -12.1604 -12.1543 -12.1543 -12.1228 -12.1228 -1.8969 -1.8969 -1.6656 -1.6656 -1.3252 -1.3252 3.9825 3.9825 4.3458 4.3458 4.6509 4.6509 5.1134 5.1134 5.2107 5.2107 5.5955 5.5955 5.8617 5.8617 6.1192 6.1192 7.1030 7.1030 7.2079 7.2079 9.5414 9.5414 10.8894 10.8894 11.8832 11.8832 12.5870 12.5870 14.9901 14.9901 k = 0.5000-0.4837-0.8929 ( 3798 PWs) bands (ev): -15.1131 -15.1131 -15.1123 -15.1123 -12.1600 -12.1600 -12.1547 -12.1547 -12.1228 -12.1228 -1.8440 -1.8440 -1.6473 -1.6473 -1.3953 -1.3953 4.0005 4.0005 4.3229 4.3229 4.6020 4.6020 5.1249 5.1249 5.2164 5.2164 5.6041 5.6041 5.8567 5.8567 6.1293 6.1293 7.1494 7.1494 7.2178 7.2178 9.4644 9.4644 10.7881 10.7881 11.9471 11.9471 12.7100 12.7100 14.9466 14.9466 k = 0.5000-0.4717-0.9127 ( 3796 PWs) bands (ev): -15.1129 -15.1129 -15.1124 -15.1124 -12.1597 -12.1597 -12.1549 -12.1549 -12.1228 -12.1228 -1.7896 -1.7896 -1.6303 -1.6303 -1.4662 -1.4662 4.0103 4.0103 4.3044 4.3044 4.5560 4.5560 5.1361 5.1361 5.2295 5.2295 5.6163 5.6163 5.8553 5.8553 6.1416 6.1416 7.1956 7.1956 7.2287 7.2287 9.3770 9.3770 10.6771 10.6771 12.0281 12.0281 12.8287 12.8287 14.8987 14.8987 k = 0.5000-0.4596-0.9324 ( 3796 PWs) bands (ev): -15.1128 -15.1128 -15.1125 -15.1125 -12.1595 -12.1595 -12.1551 -12.1551 -12.1228 -12.1228 -1.7353 -1.7353 -1.6162 -1.6162 -1.5345 -1.5345 4.0093 4.0093 4.2933 4.2933 4.5153 4.5153 5.1469 5.1469 5.2472 5.2472 5.6321 5.6321 5.8574 5.8574 6.1564 6.1564 7.2351 7.2351 7.2468 7.2468 9.2823 9.2823 10.5612 10.5612 12.1192 12.1192 12.9413 12.9413 14.8495 14.8495 k = 0.5000-0.4475-0.9521 ( 3798 PWs) bands (ev): -15.1128 -15.1128 -15.1125 -15.1125 -12.1595 -12.1595 -12.1552 -12.1552 -12.1228 -12.1228 -1.6922 -1.6922 -1.6187 -1.6187 -1.5758 -1.5758 3.9966 3.9966 4.2899 4.2899 4.4821 4.4821 5.1571 5.1571 5.2675 5.2675 5.6511 5.6511 5.8631 5.8631 6.1740 6.1740 7.2491 7.2491 7.2903 7.2903 9.1832 9.1832 10.4438 10.4438 12.2153 12.2153 13.0466 13.0466 14.8004 14.8004 k = 0.5000-0.4354-0.9718 ( 3794 PWs) bands (ev): -15.1128 -15.1128 -15.1125 -15.1125 -12.1596 -12.1596 -12.1551 -12.1551 -12.1228 -12.1228 -1.7206 -1.7206 -1.6032 -1.6032 -1.5642 -1.5642 3.9746 3.9746 4.2908 4.2908 4.4592 4.4592 5.1670 5.1670 5.2885 5.2885 5.6726 5.6726 5.8730 5.8730 6.1947 6.1947 7.2608 7.2608 7.3356 7.3356 9.0818 9.0818 10.3270 10.3270 12.3124 12.3124 13.1436 13.1436 14.7527 14.7527 k = 0.5000-0.4233-0.9915 ( 3798 PWs) bands (ev): -15.1130 -15.1130 -15.1124 -15.1124 -12.1598 -12.1598 -12.1549 -12.1549 -12.1228 -12.1228 -1.7917 -1.7917 -1.5759 -1.5759 -1.5226 -1.5226 3.9468 3.9468 4.2907 4.2907 4.4495 4.4495 5.1763 5.1763 5.3090 5.3090 5.6956 5.6956 5.8879 5.8879 6.2188 6.2188 7.2722 7.2722 7.3800 7.3800 8.9799 8.9799 10.2126 10.2126 12.4077 12.4077 13.2312 13.2312 14.7071 14.7071 k = 0.5000-0.4113-1.0112 ( 3802 PWs) bands (ev): -15.1131 -15.1131 -15.1122 -15.1122 -12.1600 -12.1600 -12.1546 -12.1546 -12.1228 -12.1228 -1.8692 -1.8692 -1.5618 -1.5618 -1.4622 -1.4622 3.9168 3.9168 4.2861 4.2861 4.4537 4.4537 5.1850 5.1850 5.3283 5.3283 5.7184 5.7184 5.9088 5.9088 6.2465 6.2465 7.2831 7.2831 7.4229 7.4229 8.8789 8.8789 10.1018 10.1018 12.4987 12.4987 13.3087 13.3087 14.6640 14.6640 k = 0.8123-0.3166-0.8256 ( 3802 PWs) bands (ev): -15.1131 -15.1131 -15.1122 -15.1122 -12.1600 -12.1600 -12.1546 -12.1546 -12.1228 -12.1228 -1.8692 -1.8692 -1.5618 -1.5618 -1.4622 -1.4622 3.9168 3.9168 4.2861 4.2861 4.4537 4.4537 5.1850 5.1850 5.3283 5.3283 5.7184 5.7184 5.9088 5.9088 6.2465 6.2465 7.2831 7.2831 7.4229 7.4229 8.8789 8.8789 10.1018 10.1018 12.4987 12.4987 13.3087 13.3087 14.6640 14.6640 k = 0.8056-0.3067-0.8061 ( 3798 PWs) bands (ev): -15.1132 -15.1132 -15.1121 -15.1121 -12.1603 -12.1603 -12.1543 -12.1543 -12.1228 -12.1228 -1.9482 -1.9482 -1.5522 -1.5522 -1.3966 -1.3966 3.8875 3.8875 4.2779 4.2779 4.4690 4.4690 5.1930 5.1930 5.3455 5.3455 5.7393 5.7393 5.9368 5.9368 6.2778 6.2778 7.2932 7.2932 7.4630 7.4630 8.7812 8.7812 9.9968 9.9968 12.5827 12.5827 13.3752 13.3752 14.6238 14.6238 k = 0.7990-0.2967-0.7865 ( 3800 PWs) bands (ev): -15.1133 -15.1133 -15.1120 -15.1120 -12.1606 -12.1606 -12.1540 -12.1540 -12.1228 -12.1228 -2.0283 -2.0283 -1.5453 -1.5453 -1.3282 -1.3282 3.8605 3.8605 4.2687 4.2687 4.4911 4.4911 5.2004 5.2004 5.3607 5.3607 5.7571 5.7571 5.9724 5.9724 6.3130 6.3130 7.3021 7.3021 7.5002 7.5002 8.6874 8.6874 9.8976 9.8976 12.6587 12.6587 13.4312 13.4312 14.5856 14.5856 k = 0.7924-0.2868-0.7670 ( 3808 PWs) bands (ev): -15.1135 -15.1135 -15.1119 -15.1119 -12.1609 -12.1609 -12.1537 -12.1537 -12.1229 -12.1229 -2.1090 -2.1090 -1.5410 -1.5410 -1.2575 -1.2575 3.8371 3.8371 4.2605 4.2605 4.5170 4.5170 5.2072 5.2072 5.3736 5.3736 5.7717 5.7717 6.0155 6.0155 6.3520 6.3520 7.3095 7.3095 7.5332 7.5332 8.5991 8.5991 9.8049 9.8049 12.7251 12.7251 13.4771 13.4771 14.5485 14.5485 k = 0.7857-0.2768-0.7475 ( 3796 PWs) bands (ev): -15.1136 -15.1136 -15.1118 -15.1118 -12.1612 -12.1612 -12.1533 -12.1533 -12.1229 -12.1229 -2.1900 -2.1900 -1.5392 -1.5392 -1.1850 -1.1850 3.8184 3.8184 4.2547 4.2547 4.5448 4.5448 5.2136 5.2136 5.3842 5.3842 5.7830 5.7830 6.0652 6.0652 6.3949 6.3949 7.3147 7.3147 7.5607 7.5607 8.5181 8.5181 9.7198 9.7198 12.7803 12.7803 13.5139 13.5139 14.5114 14.5114 k = 0.7791-0.2668-0.7279 ( 3800 PWs) bands (ev): -15.1137 -15.1137 -15.1117 -15.1117 -12.1615 -12.1615 -12.1530 -12.1530 -12.1230 -12.1230 -2.2712 -2.2712 -1.5400 -1.5400 -1.1108 -1.1108 3.8049 3.8049 4.2516 4.2516 4.5733 4.5733 5.2197 5.2197 5.3926 5.3926 5.7915 5.7915 6.1204 6.1204 6.4413 6.4413 7.3174 7.3174 7.5811 7.5811 8.4466 8.4466 9.6431 9.6431 12.8232 12.8232 13.5429 13.5429 14.4730 14.4730 k = 0.7724-0.2569-0.7084 ( 3804 PWs) bands (ev): -15.1138 -15.1138 -15.1117 -15.1117 -12.1618 -12.1618 -12.1527 -12.1527 -12.1230 -12.1230 -2.3522 -2.3522 -1.5435 -1.5435 -1.0350 -1.0350 3.7973 3.7973 4.2517 4.2517 4.6017 4.6017 5.2255 5.2255 5.3990 5.3990 5.7977 5.7977 6.1800 6.1800 6.4909 6.4909 7.3168 7.3168 7.5928 7.5928 8.3869 8.3869 9.5757 9.5757 12.8531 12.8531 13.5657 13.5657 14.4323 14.4323 k = 0.7658-0.2469-0.6888 ( 3804 PWs) bands (ev): -15.1139 -15.1139 -15.1116 -15.1116 -12.1620 -12.1620 -12.1524 -12.1524 -12.1231 -12.1231 -2.4329 -2.4329 -1.5496 -1.5496 -0.9579 -0.9579 3.7959 3.7959 4.2551 4.2551 4.6294 4.6294 5.2311 5.2311 5.4036 5.4036 5.8019 5.8019 6.2429 6.2429 6.5433 6.5433 7.3127 7.3127 7.5943 7.5943 8.3409 8.3409 9.5183 9.5183 12.8698 12.8698 13.5834 13.5834 14.3885 14.3885 k = 0.7591-0.2370-0.6693 ( 3804 PWs) bands (ev): -15.1140 -15.1140 -15.1115 -15.1115 -12.1622 -12.1622 -12.1521 -12.1521 -12.1233 -12.1233 -2.5132 -2.5132 -1.5585 -1.5585 -0.8794 -0.8794 3.8009 3.8009 4.2619 4.2619 4.6562 4.6562 5.2365 5.2365 5.4066 5.4066 5.8043 5.8043 6.3079 6.3079 6.5981 6.5981 7.3046 7.3046 7.5853 7.5853 8.3097 8.3097 9.4716 9.4716 12.8739 12.8739 13.5971 13.5971 14.3423 14.3423 k = 0.7525-0.2270-0.6497 ( 3808 PWs) bands (ev): -15.1141 -15.1141 -15.1115 -15.1115 -12.1623 -12.1623 -12.1519 -12.1519 -12.1234 -12.1234 -2.5928 -2.5928 -1.5700 -1.5700 -0.7999 -0.7999 3.8125 3.8125 4.2721 4.2721 4.6817 4.6817 5.2418 5.2418 5.4081 5.4081 5.8051 5.8051 6.3735 6.3735 6.6545 6.6545 7.2928 7.2928 7.5668 7.5668 8.2930 8.2930 9.4363 9.4363 12.8663 12.8663 13.6073 13.6073 14.2947 14.2947 k = 0.7458-0.2170-0.6302 ( 3808 PWs) bands (ev): -15.1142 -15.1142 -15.1114 -15.1114 -12.1625 -12.1625 -12.1516 -12.1516 -12.1235 -12.1235 -2.6717 -2.6717 -1.5840 -1.5840 -0.7193 -0.7193 3.8307 3.8307 4.2856 4.2856 4.7057 4.7057 5.2469 5.2469 5.4084 5.4084 5.8045 5.8045 6.4380 6.4380 6.7122 6.7122 7.2779 7.2779 7.5414 7.5414 8.2891 8.2891 9.4127 9.4127 12.8487 12.8487 13.6141 13.6141 14.2471 14.2471 k = 0.7392-0.2071-0.6107 ( 3812 PWs) bands (ev): -15.1143 -15.1143 -15.1114 -15.1114 -12.1625 -12.1625 -12.1514 -12.1514 -12.1237 -12.1237 -2.7496 -2.7496 -1.6006 -1.6006 -0.6379 -0.6379 3.8555 3.8555 4.3026 4.3026 4.7282 4.7282 5.2517 5.2517 5.4076 5.4076 5.8027 5.8027 6.4987 6.4987 6.7707 6.7707 7.2614 7.2614 7.5127 7.5127 8.2954 8.2954 9.4009 9.4009 12.8226 12.8226 13.6177 13.6177 14.2006 14.2006 k = 0.7326-0.1971-0.5911 ( 3810 PWs) bands (ev): -15.1143 -15.1143 -15.1114 -15.1114 -12.1626 -12.1626 -12.1512 -12.1512 -12.1239 -12.1239 -2.8265 -2.8265 -1.6196 -1.6196 -0.5558 -0.5558 3.8868 3.8868 4.3229 4.3229 4.7490 4.7490 5.2561 5.2561 5.4060 5.4060 5.7997 5.7997 6.5519 6.5519 6.8296 6.8296 7.2458 7.2458 7.4844 7.4844 8.3093 8.3093 9.4008 9.4008 12.7896 12.7896 13.6177 13.6177 14.1564 14.1564 k = 0.7259-0.1872-0.5716 ( 3814 PWs) bands (ev): -15.1144 -15.1144 -15.1114 -15.1114 -12.1626 -12.1626 -12.1511 -12.1511 -12.1241 -12.1241 -2.9022 -2.9022 -1.6408 -1.6408 -0.4731 -0.4731 3.9244 3.9244 4.3466 4.3466 4.7682 4.7682 5.2598 5.2598 5.4038 5.4038 5.7957 5.7957 6.5928 6.5928 6.8890 6.8890 7.2340 7.2340 7.4607 7.4607 8.3285 8.3285 9.4122 9.4122 12.7512 12.7512 13.6137 13.6137 14.1153 14.1153 k = 0.7193-0.1772-0.5520 ( 3822 PWs) bands (ev): -15.1145 -15.1145 -15.1113 -15.1113 -12.1626 -12.1626 -12.1509 -12.1509 -12.1243 -12.1243 -2.9766 -2.9766 -1.6640 -1.6640 -0.3900 -0.3900 3.9681 3.9681 4.3736 4.3736 4.7857 4.7857 5.2628 5.2628 5.4011 5.4011 5.7909 5.7909 6.6168 6.6168 6.9484 6.9484 7.2279 7.2279 7.4464 7.4464 8.3513 8.3513 9.4346 9.4346 12.7084 12.7084 13.6050 13.6050 14.0783 14.0783 k = 0.7126-0.1672-0.5325 ( 3814 PWs) bands (ev): -15.1146 -15.1146 -15.1113 -15.1113 -12.1625 -12.1625 -12.1508 -12.1508 -12.1246 -12.1246 -3.0497 -3.0497 -1.6892 -1.6892 -0.3067 -0.3067 4.0175 4.0175 4.4039 4.4039 4.8016 4.8016 5.2648 5.2648 5.3982 5.3982 5.7854 5.7854 6.6219 6.6219 7.0049 7.0049 7.2285 7.2285 7.4472 7.4472 8.3766 8.3766 9.4672 9.4672 12.6624 12.6624 13.5904 13.5904 14.0462 14.0462 k = 0.7060-0.1573-0.5130 ( 3818 PWs) bands (ev): -15.1147 -15.1147 -15.1113 -15.1113 -12.1624 -12.1624 -12.1507 -12.1507 -12.1249 -12.1249 -3.1213 -3.1213 -1.7160 -1.7160 -0.2233 -0.2233 4.0723 4.0723 4.4374 4.4374 4.8160 4.8160 5.2655 5.2655 5.3952 5.3952 5.7794 5.7794 6.6093 6.6093 7.0505 7.0505 7.2393 7.2393 7.4674 7.4674 8.4033 8.4033 9.5092 9.5092 12.6138 12.6138 13.5681 13.5681 14.0194 14.0194 k = 0.6993-0.1473-0.4934 ( 3818 PWs) bands (ev): -15.1147 -15.1147 -15.1113 -15.1113 -12.1623 -12.1623 -12.1506 -12.1506 -12.1251 -12.1251 -3.1913 -3.1913 -1.7443 -1.7443 -0.1400 -0.1400 4.1320 4.1320 4.4742 4.4742 4.8291 4.8291 5.2646 5.2646 5.3925 5.3925 5.7731 5.7731 6.5830 6.5830 7.0728 7.0728 7.2697 7.2697 7.5069 7.5069 8.4311 8.4311 9.5599 9.5599 12.5635 12.5635 13.5362 13.5362 13.9979 13.9979 k = 0.6927-0.1374-0.4739 ( 3820 PWs) bands (ev): -15.1148 -15.1148 -15.1113 -15.1113 -12.1622 -12.1622 -12.1505 -12.1505 -12.1254 -12.1254 -3.2596 -3.2596 -1.7739 -1.7739 -0.0570 -0.0570 4.1960 4.1960 4.5142 4.5142 4.8410 4.8410 5.2619 5.2619 5.3901 5.3901 5.7666 5.7666 6.5473 6.5473 7.0702 7.0702 7.3212 7.3212 7.5625 7.5625 8.4595 8.4595 9.6184 9.6184 12.5118 12.5118 13.4930 13.4930 13.9810 13.9810 k = 0.6860-0.1274-0.4543 ( 3830 PWs) bands (ev): -15.1149 -15.1149 -15.1113 -15.1113 -12.1620 -12.1620 -12.1504 -12.1504 -12.1258 -12.1258 -3.3262 -3.3262 -1.8045 -1.8045 0.0255 0.0255 4.2634 4.2634 4.5572 4.5572 4.8519 4.8519 5.2572 5.2572 5.3883 5.3883 5.7603 5.7603 6.5063 6.5063 7.0527 7.0527 7.3842 7.3842 7.6301 7.6301 8.4886 8.4886 9.6836 9.6836 12.4592 12.4592 13.4372 13.4372 13.9676 13.9676 k = 0.6794-0.1174-0.4348 ( 3826 PWs) bands (ev): -15.1150 -15.1150 -15.1113 -15.1113 -12.1618 -12.1618 -12.1503 -12.1503 -12.1261 -12.1261 -3.3910 -3.3910 -1.8360 -1.8360 0.1073 0.1073 4.3333 4.3333 4.6032 4.6032 4.8625 4.8625 5.2506 5.2506 5.3870 5.3870 5.7545 5.7545 6.4628 6.4628 7.0287 7.0287 7.4515 7.4515 7.7062 7.7062 8.5185 8.5185 9.7546 9.7546 12.4060 12.4060 13.3687 13.3687 13.9572 13.9572 k = 0.6728-0.1075-0.4153 ( 3834 PWs) bands (ev): -15.1150 -15.1150 -15.1113 -15.1113 -12.1616 -12.1616 -12.1503 -12.1503 -12.1264 -12.1264 -3.4539 -3.4539 -1.8681 -1.8681 0.1882 0.1882 4.4044 4.4044 4.6518 4.6518 4.8733 4.8733 5.2424 5.2424 5.3862 5.3862 5.7492 5.7492 6.4192 6.4192 7.0022 7.0022 7.5195 7.5195 7.7879 7.7879 8.5497 8.5497 9.8305 9.8305 12.3522 12.3522 13.2879 13.2879 13.9501 13.9501 k = 0.6661-0.0975-0.3957 ( 3828 PWs) bands (ev): -15.1151 -15.1151 -15.1113 -15.1113 -12.1614 -12.1614 -12.1502 -12.1502 -12.1268 -12.1268 -3.5148 -3.5148 -1.9006 -1.9006 0.2681 0.2681 4.4749 4.4749 4.7025 4.7025 4.8855 4.8855 5.2328 5.2328 5.3860 5.3860 5.7449 5.7449 6.3772 6.3772 6.9754 6.9754 7.5867 7.5867 7.8729 7.8729 8.5827 8.5827 9.9103 9.9103 12.2982 12.2982 13.1963 13.1963 13.9475 13.9475 k = 0.6595-0.0876-0.3762 ( 3828 PWs) bands (ev): -15.1152 -15.1152 -15.1113 -15.1113 -12.1612 -12.1612 -12.1502 -12.1502 -12.1271 -12.1271 -3.5737 -3.5737 -1.9334 -1.9334 0.3466 0.3466 4.5427 4.5427 4.7531 4.7531 4.9017 4.9017 5.2225 5.2225 5.3863 5.3863 5.7418 5.7418 6.3383 6.3383 6.9495 6.9495 7.6523 7.6523 7.9584 7.9584 8.6186 8.6186 9.9928 9.9928 12.2438 12.2438 13.0953 13.0953 13.9503 13.9503 k = 0.6528-0.0776-0.3566 ( 3826 PWs) bands (ev): -15.1153 -15.1153 -15.1113 -15.1113 -12.1610 -12.1610 -12.1501 -12.1501 -12.1275 -12.1275 -3.6306 -3.6306 -1.9661 -1.9661 0.4238 0.4238 4.6053 4.6053 4.7990 4.7990 4.9265 4.9265 5.2126 5.2126 5.3874 5.3874 5.7404 5.7404 6.3039 6.3039 6.9256 6.9256 7.7161 7.7161 8.0421 8.0421 8.6588 8.6588 10.0769 10.0769 12.1891 12.1891 12.9868 12.9868 13.9591 13.9591 k = 0.6462-0.0676-0.3371 ( 3824 PWs) bands (ev): -15.1154 -15.1154 -15.1112 -15.1112 -12.1608 -12.1608 -12.1500 -12.1500 -12.1278 -12.1278 -3.6853 -3.6853 -1.9987 -1.9987 0.4992 0.4992 4.6603 4.6603 4.8343 4.8343 4.9650 4.9650 5.2048 5.2048 5.3895 5.3895 5.7410 5.7410 6.2752 6.2752 6.9040 6.9040 7.7776 7.7776 8.1212 8.1212 8.7050 8.7050 10.1612 10.1612 12.1341 12.1341 12.8723 12.8723 13.9740 13.9740 k = 0.6395-0.0577-0.3176 ( 3824 PWs) bands (ev): -15.1155 -15.1155 -15.1112 -15.1112 -12.1606 -12.1606 -12.1500 -12.1500 -12.1281 -12.1281 -3.7379 -3.7379 -2.0309 -2.0309 0.5728 0.5728 4.7054 4.7054 4.8584 4.8584 5.0137 5.0137 5.2030 5.2030 5.3932 5.3932 5.7441 5.7441 6.2535 6.2535 6.8855 6.8855 7.8369 7.8369 8.1932 8.1932 8.7589 8.7589 10.2440 10.2440 12.0788 12.0788 12.7536 12.7536 13.9950 13.9950 k = 0.6329-0.0477-0.2980 ( 3826 PWs) bands (ev): -15.1156 -15.1156 -15.1112 -15.1112 -12.1604 -12.1604 -12.1499 -12.1499 -12.1285 -12.1285 -3.7883 -3.7883 -2.0627 -2.0627 0.6443 0.6443 4.7397 4.7397 4.8759 4.8759 5.0581 5.0581 5.2154 5.2154 5.3992 5.3992 5.7505 5.7505 6.2401 6.2401 6.8706 6.8706 7.8936 7.8936 8.2562 8.2562 8.8217 8.8217 10.3235 10.3235 12.0234 12.0234 12.6323 12.6323 14.0216 14.0216 k = 0.6262-0.0378-0.2785 ( 3824 PWs) bands (ev): -15.1157 -15.1157 -15.1112 -15.1112 -12.1603 -12.1603 -12.1498 -12.1498 -12.1288 -12.1288 -3.8364 -3.8364 -2.0938 -2.0938 0.7136 0.7136 4.7633 4.7633 4.8895 4.8895 5.0831 5.0831 5.2511 5.2511 5.4081 5.4081 5.7612 5.7612 6.2364 6.2364 6.8598 6.8598 7.9477 7.9477 8.3092 8.3092 8.8935 8.8935 10.3974 10.3974 11.9682 11.9682 12.5101 12.5101 14.0515 14.0515 k = 0.6196-0.0278-0.2589 ( 3824 PWs) bands (ev): -15.1158 -15.1158 -15.1112 -15.1112 -12.1601 -12.1601 -12.1496 -12.1496 -12.1292 -12.1292 -3.8822 -3.8822 -2.1241 -2.1241 0.7804 0.7804 4.7778 4.7778 4.8990 4.8990 5.0892 5.0892 5.3043 5.3043 5.4203 5.4203 5.7775 5.7775 6.2434 6.2434 6.8539 6.8539 7.9990 7.9990 8.3526 8.3526 8.9731 8.9731 10.4627 10.4627 11.9140 11.9140 12.3883 12.3883 14.0728 14.0728 k = 0.6130-0.0178-0.2394 ( 3830 PWs) bands (ev): -15.1159 -15.1159 -15.1111 -15.1111 -12.1601 -12.1601 -12.1495 -12.1495 -12.1295 -12.1295 -3.9258 -3.9258 -2.1534 -2.1534 0.8447 0.8447 4.7856 4.7856 4.9036 4.9036 5.0855 5.0855 5.3608 5.3608 5.4361 5.4361 5.8010 5.8010 6.2623 6.2623 6.8536 6.8536 8.0475 8.0475 8.3877 8.3877 9.0583 9.0583 10.5162 10.5162 11.8625 11.8625 12.2684 12.2684 14.0374 14.0374 k = 0.6063-0.0079-0.2198 ( 3824 PWs) bands (ev): -15.1160 -15.1160 -15.1111 -15.1111 -12.1600 -12.1600 -12.1493 -12.1493 -12.1298 -12.1298 -3.9670 -3.9670 -2.1817 -2.1817 0.9063 0.9063 4.7885 4.7885 4.9035 4.9035 5.0771 5.0771 5.4107 5.4107 5.4553 5.4553 5.8331 5.8331 6.2937 6.2937 6.8601 6.8601 8.0930 8.0930 8.4161 8.4161 9.1465 9.1465 10.5539 10.5539 11.8158 11.8158 12.1514 12.1514 13.9654 13.9654 k = 0.5997 0.0021-0.2003 ( 3828 PWs) bands (ev): -15.1161 -15.1161 -15.1111 -15.1111 -12.1600 -12.1600 -12.1491 -12.1491 -12.1301 -12.1301 -4.0058 -4.0058 -2.2088 -2.2088 0.9649 0.9649 4.7878 4.7878 4.8995 4.8995 5.0656 5.0656 5.4481 5.4481 5.4785 5.4785 5.8737 5.8737 6.3374 6.3374 6.8746 6.8746 8.1353 8.1353 8.4393 8.4393 9.2345 9.2345 10.5722 10.5722 11.7770 11.7770 12.0381 12.0381 13.8989 13.8989 k = 0.5930 0.0120-0.1808 ( 3832 PWs) bands (ev): -15.1162 -15.1162 -15.1110 -15.1110 -12.1599 -12.1599 -12.1489 -12.1489 -12.1303 -12.1303 -4.0422 -4.0422 -2.2346 -2.2346 1.0205 1.0205 4.7842 4.7842 4.8930 4.8930 5.0516 5.0516 5.4732 5.4732 5.5034 5.5034 5.9212 5.9212 6.3925 6.3925 6.8987 6.8987 8.1744 8.1744 8.4587 8.4587 9.3191 9.3191 10.5683 10.5683 11.7484 11.7484 11.9296 11.9296 13.8472 13.8472 k = 0.5864 0.0220-0.1612 ( 3836 PWs) bands (ev): -15.1163 -15.1163 -15.1110 -15.1110 -12.1600 -12.1600 -12.1487 -12.1487 -12.1306 -12.1306 -4.0762 -4.0762 -2.2591 -2.2591 1.0729 1.0729 4.7782 4.7782 4.8853 4.8853 5.0359 5.0359 5.4917 5.4917 5.5246 5.5246 5.9721 5.9721 6.4576 6.4576 6.9341 6.9341 8.2101 8.2101 8.4756 8.4756 9.3969 9.3969 10.5419 10.5419 11.7288 11.7288 11.8289 11.8289 13.8138 13.8138 k = 0.5797 0.0320-0.1417 ( 3836 PWs) bands (ev): -15.1164 -15.1164 -15.1110 -15.1110 -12.1600 -12.1600 -12.1485 -12.1485 -12.1309 -12.1309 -4.1077 -4.1077 -2.2820 -2.2820 1.1220 1.1220 4.7702 4.7702 4.8773 4.8773 5.0191 5.0191 5.5066 5.5066 5.5408 5.5408 6.0228 6.0228 6.5306 6.5306 6.9820 6.9820 8.2423 8.2423 8.4908 8.4908 9.4636 9.4636 10.4956 10.4956 11.6930 11.6930 11.7619 11.7619 13.8000 13.8000 k = 0.5731 0.0419-0.1221 ( 3840 PWs) bands (ev): -15.1165 -15.1165 -15.1109 -15.1109 -12.1600 -12.1600 -12.1483 -12.1483 -12.1311 -12.1311 -4.1368 -4.1368 -2.3034 -2.3034 1.1677 1.1677 4.7607 4.7607 4.8695 4.8695 5.0017 5.0017 5.5188 5.5188 5.5529 5.5529 6.0701 6.0701 6.6097 6.6097 7.0431 7.0431 8.2708 8.2708 8.5051 8.5051 9.5146 9.5146 10.4347 10.4347 11.6114 11.6114 11.7577 11.7577 13.8059 13.8059 k = 0.5664 0.0519-0.1026 ( 3840 PWs) bands (ev): -15.1166 -15.1166 -15.1109 -15.1109 -12.1601 -12.1601 -12.1481 -12.1481 -12.1313 -12.1313 -4.1634 -4.1634 -2.3232 -2.3232 1.2098 1.2098 4.7502 4.7502 4.8623 4.8623 4.9844 4.9844 5.5287 5.5287 5.5621 5.5621 6.1119 6.1119 6.6933 6.6933 7.1170 7.1170 8.2956 8.2956 8.5193 8.5193 9.5445 9.5445 10.3662 10.3662 11.5256 11.5256 11.7739 11.7739 13.8299 13.8299 k = 0.5598 0.0618-0.0831 ( 3836 PWs) bands (ev): -15.1167 -15.1167 -15.1109 -15.1109 -12.1602 -12.1602 -12.1479 -12.1479 -12.1315 -12.1315 -4.1876 -4.1876 -2.3413 -2.3413 1.2482 1.2482 4.7392 4.7392 4.8557 4.8557 4.9677 4.9677 5.5365 5.5365 5.5692 5.5692 6.1472 6.1472 6.7800 6.7800 7.2021 7.2021 8.3165 8.3165 8.5338 8.5338 9.5483 9.5483 10.2966 10.2966 11.4476 11.4476 11.7989 11.7989 13.8680 13.8680 k = 0.5532 0.0718-0.0635 ( 3836 PWs) bands (ev): -15.1168 -15.1168 -15.1109 -15.1109 -12.1603 -12.1603 -12.1476 -12.1476 -12.1317 -12.1317 -4.2092 -4.2092 -2.3576 -2.3576 1.2829 1.2829 4.7282 4.7282 4.8496 4.8496 4.9520 4.9520 5.5427 5.5427 5.5749 5.5749 6.1759 6.1759 6.8683 6.8683 7.2961 7.2961 8.3337 8.3337 8.5491 8.5491 9.5233 9.5233 10.2305 10.2305 11.3810 11.3810 11.8296 11.8296 13.9102 13.9102 k = 0.5465 0.0818-0.0440 ( 3836 PWs) bands (ev): -15.1168 -15.1168 -15.1108 -15.1108 -12.1603 -12.1603 -12.1475 -12.1475 -12.1318 -12.1318 -4.2283 -4.2283 -2.3721 -2.3721 1.3137 1.3137 4.7177 4.7177 4.8439 4.8439 4.9378 4.9378 5.5474 5.5474 5.5796 5.5796 6.1986 6.1986 6.9567 6.9567 7.3961 7.3961 8.3472 8.3472 8.5652 8.5652 9.4711 9.4711 10.1687 10.1687 11.3279 11.3279 11.8644 11.8644 13.9330 13.9330 k = 0.5399 0.0917-0.0244 ( 3822 PWs) bands (ev): -15.1169 -15.1169 -15.1108 -15.1108 -12.1604 -12.1604 -12.1473 -12.1473 -12.1319 -12.1319 -4.2448 -4.2448 -2.3848 -2.3848 1.3406 1.3406 4.7079 4.7079 4.8387 4.8387 4.9255 4.9255 5.5510 5.5510 5.5835 5.5835 6.2162 6.2162 7.0430 7.0430 7.4989 7.4989 8.3574 8.3574 8.5821 8.5821 9.3977 9.3977 10.1100 10.1100 11.2885 11.2885 11.9019 11.9019 13.9161 13.9161 k = 0.5332 0.1017-0.0049 ( 3822 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1605 -12.1605 -12.1471 -12.1471 -12.1320 -12.1320 -4.2589 -4.2589 -2.3956 -2.3956 1.3635 1.3635 4.6992 4.6992 4.8338 4.8338 4.9151 4.9151 5.5536 5.5536 5.5867 5.5867 6.2295 6.2295 7.1245 7.1245 7.6014 7.6014 8.3646 8.3646 8.5993 8.5993 9.3112 9.3112 10.0528 10.0528 11.2617 11.2617 11.9406 11.9406 13.8747 13.8747 k = 0.5266 0.1116 0.0146 ( 3824 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1605 -12.1605 -12.1470 -12.1470 -12.1321 -12.1321 -4.2704 -4.2704 -2.4045 -2.4045 1.3823 1.3823 4.6918 4.6918 4.8293 4.8293 4.9067 4.9067 5.5556 5.5556 5.5893 5.5893 6.2393 6.2393 7.1980 7.1980 7.6997 7.6997 8.3691 8.3691 8.6162 8.6162 9.2204 9.2204 9.9979 9.9979 11.2451 11.2451 11.9784 11.9784 13.8269 13.8269 k = 0.5199 0.1216 0.0342 ( 3812 PWs) bands (ev): -15.1170 -15.1170 -15.1107 -15.1107 -12.1606 -12.1606 -12.1469 -12.1469 -12.1322 -12.1322 -4.2793 -4.2793 -2.4114 -2.4114 1.3970 1.3970 4.6859 4.6859 4.8256 4.8256 4.9004 4.9004 5.5570 5.5570 5.5913 5.5913 6.2463 6.2463 7.2602 7.2602 7.7890 7.7890 8.3715 8.3715 8.6314 8.6314 9.1341 9.1341 9.9483 9.9483 11.2357 11.2357 12.0127 12.0127 13.7820 13.7820 k = 0.5133 0.1316 0.0537 ( 3816 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1606 -12.1606 -12.1468 -12.1468 -12.1323 -12.1323 -4.2857 -4.2857 -2.4164 -2.4164 1.4075 1.4075 4.6816 4.6816 4.8227 4.8227 4.8959 4.8959 5.5579 5.5579 5.5927 5.5927 6.2510 6.2510 7.3077 7.3077 7.8630 7.8630 8.3721 8.3721 8.6436 8.6436 9.0617 9.0617 9.9080 9.9080 11.2310 11.2310 12.0404 12.0404 13.7456 13.7456 k = 0.5066 0.1415 0.0733 ( 3812 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2896 -4.2896 -2.4194 -2.4194 1.4138 1.4138 4.6790 4.6790 4.8209 4.8209 4.8934 4.8934 5.5584 5.5584 5.5936 5.5936 6.2537 6.2537 7.3375 7.3375 7.9132 7.9132 8.3717 8.3717 8.6513 8.6513 9.0126 9.0126 9.8817 9.8817 11.2289 11.2289 12.0585 12.0585 13.7220 13.7220 k = 0.5000 0.1515 0.0928 ( 3808 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2908 -4.2908 -2.4204 -2.4204 1.4159 1.4159 4.6781 4.6781 4.8203 4.8203 4.8925 4.8925 5.5586 5.5586 5.5938 5.5938 6.2546 6.2546 7.3477 7.3477 7.9311 7.9311 8.3714 8.3714 8.6540 8.6540 8.9952 8.9952 9.8725 9.8725 11.2283 11.2283 12.0648 12.0648 13.7137 13.7137 k = 0.5000 0.1515 0.0928 ( 3808 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2908 -4.2908 -2.4204 -2.4204 1.4159 1.4159 4.6781 4.6781 4.8203 4.8203 4.8925 4.8925 5.5586 5.5586 5.5938 5.5938 6.2546 6.2546 7.3477 7.3477 7.9311 7.9311 8.3714 8.3714 8.6540 8.6540 8.9952 8.9952 9.8725 9.8725 11.2283 11.2283 12.0648 12.0648 13.7137 13.7137 k = 0.4783 0.1449 0.0888 ( 3814 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2915 -4.2915 -2.4182 -2.4182 1.4116 1.4116 4.6814 4.6814 4.8204 4.8204 4.8928 4.8928 5.5589 5.5589 5.5938 5.5938 6.2558 6.2558 7.3441 7.3441 7.9358 7.9358 8.3676 8.3676 8.6588 8.6588 8.9928 8.9928 9.8722 9.8722 11.2259 11.2259 12.0611 12.0611 13.7171 13.7171 k = 0.4565 0.1383 0.0847 ( 3826 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2936 -4.2936 -2.4119 -2.4119 1.3988 1.3988 4.6912 4.6912 4.8205 4.8205 4.8936 4.8936 5.5599 5.5599 5.5938 5.5938 6.2593 6.2593 7.3338 7.3338 7.9496 7.9496 8.3567 8.3567 8.6724 8.6724 8.9857 8.9857 9.8714 9.8714 11.2188 11.2188 12.0502 12.0502 13.7269 13.7269 k = 0.4348 0.1317 0.0807 ( 3823 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2970 -4.2970 -2.4014 -2.4014 1.3778 1.3778 4.7071 4.7071 4.8207 4.8207 4.8951 4.8951 5.5615 5.5615 5.5937 5.5937 6.2653 6.2653 7.3178 7.3178 7.9713 7.9713 8.3407 8.3407 8.6932 8.6932 8.9739 8.9739 9.8700 9.8700 11.2073 11.2073 12.0324 12.0324 13.7423 13.7423 k = 0.4130 0.1251 0.0767 ( 3829 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3016 -4.3016 -2.3870 -2.3870 1.3492 1.3492 4.7282 4.7282 4.8210 4.8210 4.8974 4.8974 5.5637 5.5637 5.5937 5.5937 6.2738 6.2738 7.2974 7.2974 7.9998 7.9998 8.3212 8.3212 8.7191 8.7191 8.9577 8.9577 9.8679 9.8679 11.1918 11.1918 12.0081 12.0081 13.7619 13.7619 k = 0.3913 0.1185 0.0726 ( 3826 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3074 -4.3074 -2.3688 -2.3688 1.3136 1.3136 4.7534 4.7534 4.8214 4.8214 4.9009 4.9009 5.5666 5.5666 5.5936 5.5936 6.2847 6.2847 7.2738 7.2738 8.0337 8.0337 8.2998 8.2998 8.7488 8.7488 8.9372 8.9372 9.8650 9.8650 11.1727 11.1727 11.9781 11.9781 13.7831 13.7831 k = 0.3696 0.1120 0.0686 ( 3820 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3141 -4.3141 -2.3472 -2.3472 1.2719 1.2719 4.7810 4.7810 4.8218 4.8218 4.9064 4.9064 5.5701 5.5701 5.5936 5.5936 6.2981 6.2981 7.2484 7.2484 8.0716 8.0716 8.2775 8.2775 8.7810 8.7810 8.9127 8.9127 9.8612 9.8612 11.1508 11.1508 11.9431 11.9431 13.8022 13.8022 k = 0.3478 0.1054 0.0646 ( 3820 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3216 -4.3216 -2.3224 -2.3224 1.2249 1.2249 4.8086 4.8086 4.8223 4.8223 4.9152 4.9152 5.5741 5.5741 5.5935 5.5935 6.3140 6.3140 7.2220 7.2220 8.1127 8.1127 8.2549 8.2549 8.8150 8.8150 8.8847 8.8847 9.8563 9.8563 11.1268 11.1268 11.9040 11.9040 13.8143 13.8143 k = 0.3261 0.0988 0.0605 ( 3814 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3297 -4.3297 -2.2948 -2.2948 1.1737 1.1737 4.8229 4.8229 4.8329 4.8329 4.9296 4.9296 5.5785 5.5785 5.5934 5.5934 6.3324 6.3324 7.1956 7.1956 8.1558 8.1558 8.2327 8.2327 8.8501 8.8501 8.8537 8.8537 9.8502 9.8502 11.1014 11.1014 11.8615 11.8615 13.8135 13.8135 k = 0.3043 0.0922 0.0565 ( 3814 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3383 -4.3383 -2.2648 -2.2648 1.1192 1.1192 4.8235 4.8235 4.8509 4.8509 4.9515 4.9515 5.5834 5.5834 5.5933 5.5933 6.3531 6.3531 7.1700 7.1700 8.2001 8.2001 8.2111 8.2111 8.8202 8.8202 8.8858 8.8858 9.8425 9.8425 11.0755 11.0755 11.8166 11.8166 13.7955 13.7955 k = 0.2826 0.0856 0.0525 ( 3814 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3472 -4.3472 -2.2330 -2.2330 1.0624 1.0624 4.8241 4.8241 4.8627 4.8627 4.9800 4.9800 5.5886 5.5886 5.5932 5.5932 6.3760 6.3760 7.1457 7.1457 8.1904 8.1904 8.2447 8.2447 8.7851 8.7851 8.9218 8.9218 9.8331 9.8331 11.0497 11.0497 11.7702 11.7702 13.7600 13.7600 k = 0.2609 0.0790 0.0484 ( 3817 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3561 -4.3561 -2.1997 -2.1997 1.0042 1.0042 4.8248 4.8248 4.8701 4.8701 5.0121 5.0121 5.5932 5.5932 5.5940 5.5940 6.4006 6.4006 7.1232 7.1232 8.1708 8.1708 8.2883 8.2883 8.7496 8.7496 8.9576 8.9576 9.8216 9.8216 11.0248 11.0248 11.7229 11.7229 13.7106 13.7106 k = 0.2391 0.0724 0.0444 ( 3805 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3650 -4.3650 -2.1655 -2.1655 0.9458 0.9458 4.8254 4.8254 4.8751 4.8751 5.0453 5.0453 5.5931 5.5931 5.5996 5.5996 6.4266 6.4266 7.1033 7.1033 8.1523 8.1523 8.3293 8.3293 8.7153 8.7153 8.9928 8.9928 9.8081 9.8081 11.0015 11.0015 11.6757 11.6757 13.6522 13.6522 k = 0.2174 0.0659 0.0404 ( 3799 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3736 -4.3736 -2.1311 -2.1311 0.8880 0.8880 4.8261 4.8261 4.8788 4.8788 5.0777 5.0777 5.5931 5.5931 5.6053 5.6053 6.4533 6.4533 7.0862 7.0862 8.1352 8.1352 8.3652 8.3652 8.6851 8.6851 9.0271 9.0271 9.7924 9.7924 10.9802 10.9802 11.6293 11.6293 13.5894 13.5894 k = 0.1957 0.0593 0.0363 ( 3802 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3819 -4.3819 -2.0969 -2.0969 0.8318 0.8318 4.8267 4.8267 4.8816 4.8816 5.1083 5.1083 5.5930 5.5930 5.6108 5.6108 6.4799 6.4799 7.0726 7.0726 8.1195 8.1195 8.3917 8.3917 8.6631 8.6631 9.0599 9.0599 9.7745 9.7745 10.9614 10.9614 11.5845 11.5845 13.5258 13.5258 k = 0.1739 0.0527 0.0323 ( 3796 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3896 -4.3896 -2.0637 -2.0637 0.7781 0.7781 4.8273 4.8273 4.8838 4.8838 5.1364 5.1364 5.5929 5.5929 5.6162 5.6162 6.5057 6.5057 7.0627 7.0627 8.1053 8.1053 8.4040 8.4040 8.6545 8.6545 9.0911 9.0911 9.7548 9.7548 10.9452 10.9452 11.5420 11.5420 13.4639 13.4639 k = 0.1522 0.0461 0.0282 ( 3796 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.3967 -4.3967 -2.0321 -2.0321 0.7279 0.7279 4.8279 4.8279 4.8856 4.8856 5.1616 5.1616 5.5929 5.5929 5.6212 5.6212 6.5295 6.5295 7.0568 7.0568 8.0926 8.0926 8.4000 8.4000 8.6617 8.6617 9.1200 9.1200 9.7337 9.7337 10.9317 10.9317 11.5024 11.5024 13.4056 13.4056 k = 0.1304 0.0395 0.0242 ( 3799 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.4031 -4.4031 -2.0028 -2.0028 0.6821 0.6821 4.8284 4.8284 4.8871 4.8871 5.1836 5.1836 5.5928 5.5928 5.6257 5.6257 6.5507 6.5507 7.0547 7.0547 8.0815 8.0815 8.3833 8.3833 8.6810 8.6810 9.1462 9.1462 9.7118 9.7118 10.9208 10.9208 11.4665 11.4665 13.3525 13.3525 k = 0.1087 0.0329 0.0202 ( 3814 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4086 -4.4086 -1.9765 -1.9765 0.6415 0.6415 4.8288 4.8288 4.8883 4.8883 5.2023 5.2023 5.5927 5.5927 5.6298 5.6298 6.5685 6.5685 7.0561 7.0561 8.0720 8.0720 8.3605 8.3605 8.7062 8.7062 9.1694 9.1694 9.6901 9.6901 10.9124 10.9124 11.4348 11.4348 13.3056 13.3056 k = 0.0870 0.0263 0.0161 ( 3820 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4132 -4.4132 -1.9539 -1.9539 0.6070 0.6070 4.8291 4.8291 4.8892 4.8892 5.2176 5.2176 5.5926 5.5926 5.6332 5.6332 6.5828 6.5828 7.0599 7.0599 8.0642 8.0642 8.3365 8.3365 8.7323 8.7323 9.1890 9.1890 9.6697 9.6697 10.9061 10.9061 11.4080 11.4080 13.2661 13.2661 k = 0.0652 0.0198 0.0121 ( 3826 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4169 -4.4169 -1.9356 -1.9356 0.5794 0.5794 4.8294 4.8294 4.8900 4.8900 5.2295 5.2295 5.5926 5.5926 5.6360 5.6360 6.5936 6.5936 7.0650 7.0650 8.0581 8.0581 8.3148 8.3148 8.7559 8.7559 9.2047 9.2047 9.6519 9.6519 10.9017 10.9017 11.3866 11.3866 13.2345 13.2345 k = 0.0435 0.0132 0.0081 ( 3827 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4196 -4.4196 -1.9220 -1.9220 0.5591 0.5591 4.8296 4.8296 4.8905 4.8905 5.2380 5.2380 5.5926 5.5926 5.6380 5.6380 6.6009 6.6009 7.0700 7.0700 8.0537 8.0537 8.2978 8.2978 8.7744 8.7744 9.2162 9.2162 9.6379 9.6379 10.8988 10.8988 11.3710 11.3710 13.2115 13.2115 k = 0.0217 0.0066 0.0040 ( 3827 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4212 -4.4212 -1.9138 -1.9138 0.5468 0.5468 4.8298 4.8298 4.8908 4.8908 5.2431 5.2431 5.5926 5.5926 5.6392 5.6392 6.6052 6.6052 7.0737 7.0737 8.0511 8.0511 8.2869 8.2869 8.7863 8.7863 9.2233 9.2233 9.6289 9.6289 10.8971 10.8971 11.3615 11.3615 13.1976 13.1976 k = 0.0000 0.0000 0.0000 ( 3821 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4217 -4.4217 -1.9110 -1.9110 0.5426 0.5426 4.8298 4.8298 4.8909 4.8909 5.2448 5.2448 5.5926 5.5926 5.6397 5.6397 6.6065 6.6065 7.0750 7.0750 8.0502 8.0502 8.2832 8.2832 8.7903 8.7903 9.2256 9.2256 9.6259 9.6259 10.8966 10.8966 11.3583 11.3583 13.1929 13.1929 k = 0.0000 0.0000 0.0000 ( 3821 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4217 -4.4217 -1.9110 -1.9110 0.5426 0.5426 4.8298 4.8298 4.8909 4.8909 5.2448 5.2448 5.5926 5.5926 5.6397 5.6397 6.6065 6.6065 7.0750 7.0750 8.0502 8.0502 8.2832 8.2832 8.7903 8.7903 9.2256 9.2256 9.6259 9.6259 10.8966 10.8966 11.3583 11.3583 13.1929 13.1929 k = 0.0067-0.0101-0.0198 ( 3821 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1468 -12.1468 -12.1324 -12.1324 -4.4203 -4.4203 -1.9102 -1.9102 0.5424 0.5424 4.8294 4.8294 4.8904 4.8904 5.2441 5.2441 5.5916 5.5916 5.6390 5.6390 6.5933 6.5933 7.0783 7.0783 8.0587 8.0587 8.2856 8.2856 8.7802 8.7802 9.1976 9.1976 9.6509 9.6509 10.9059 10.9059 11.3560 11.3560 13.2063 13.2063 k = 0.0135-0.0202-0.0397 ( 3823 PWs) bands (ev): -15.1171 -15.1171 -15.1108 -15.1108 -12.1607 -12.1607 -12.1469 -12.1469 -12.1323 -12.1323 -4.4163 -4.4163 -1.9080 -1.9080 0.5418 0.5418 4.8282 4.8282 4.8888 4.8888 5.2419 5.2419 5.5885 5.5885 5.6372 5.6372 6.5563 6.5563 7.0868 7.0868 8.0818 8.0818 8.2937 8.2937 8.7496 8.7496 9.1315 9.1315 9.7090 9.7090 10.9327 10.9327 11.3508 11.3508 13.2456 13.2456 k = 0.0202-0.0303-0.0595 ( 3819 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1606 -12.1606 -12.1469 -12.1469 -12.1323 -12.1323 -4.4095 -4.4095 -1.9044 -1.9044 0.5407 0.5407 4.8259 4.8259 4.8862 4.8862 5.2381 5.2381 5.5830 5.5830 5.6346 5.6346 6.5014 6.5014 7.0972 7.0972 8.1119 8.1119 8.3109 8.3109 8.6988 8.6988 9.0529 9.0529 9.7766 9.7766 10.9734 10.9734 11.3477 11.3477 13.3084 13.3084 k = 0.0270-0.0404-0.0793 ( 3813 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1606 -12.1606 -12.1470 -12.1470 -12.1322 -12.1322 -4.4001 -4.4001 -1.8993 -1.8993 0.5390 0.5390 4.8226 4.8226 4.8827 4.8827 5.2327 5.2327 5.5745 5.5745 5.6315 5.6315 6.4350 6.4350 7.1065 7.1065 8.1369 8.1369 8.3418 8.3418 8.6323 8.6323 8.9750 8.9750 9.8419 9.8419 11.0197 11.0197 11.3562 11.3562 13.3914 13.3914 k = 0.0337-0.0505-0.0991 ( 3815 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1605 -12.1605 -12.1472 -12.1472 -12.1321 -12.1321 -4.3879 -4.3879 -1.8928 -1.8928 0.5368 0.5368 4.8178 4.8178 4.8785 4.8785 5.2255 5.2255 5.5624 5.5624 5.6284 5.6284 6.3628 6.3628 7.1130 7.1130 8.1442 8.1442 8.3854 8.3854 8.5625 8.5625 8.9017 8.9017 9.9008 9.9008 11.0592 11.0592 11.3891 11.3891 13.4908 13.4908 k = 0.0405-0.0606-0.1190 ( 3813 PWs) bands (ev): -15.1169 -15.1169 -15.1108 -15.1108 -12.1604 -12.1604 -12.1473 -12.1473 -12.1320 -12.1320 -4.3731 -4.3731 -1.8850 -1.8850 0.5337 0.5337 4.8114 4.8114 4.8736 4.8736 5.2160 5.2160 5.5464 5.5464 5.6254 5.6254 6.2893 6.2893 7.1151 7.1151 8.1248 8.1248 8.4164 8.4164 8.5228 8.5228 8.8352 8.8352 9.9530 9.9530 11.0824 11.0824 11.4552 11.4552 13.6026 13.6026 k = 0.0472-0.0707-0.1388 ( 3811 PWs) bands (ev): -15.1168 -15.1168 -15.1109 -15.1109 -12.1604 -12.1604 -12.1475 -12.1475 -12.1318 -12.1318 -4.3556 -4.3556 -1.8758 -1.8758 0.5298 0.5298 4.8032 4.8032 4.8679 4.8679 5.2041 5.2041 5.5267 5.5267 5.6226 5.6226 6.2181 6.2181 7.1118 7.1118 8.0728 8.0728 8.4038 8.4038 8.5398 8.5398 8.7861 8.7861 9.9996 9.9996 11.0916 11.0916 11.5503 11.5503 13.7228 13.7228 k = 0.0539-0.0809-0.1586 ( 3815 PWs) bands (ev): -15.1168 -15.1168 -15.1109 -15.1109 -12.1603 -12.1603 -12.1477 -12.1477 -12.1317 -12.1317 -4.3354 -4.3354 -1.8653 -1.8653 0.5249 0.5249 4.7930 4.7930 4.8612 4.8612 5.1894 5.1894 5.5035 5.5035 5.6200 5.6200 6.1518 6.1518 7.1016 7.1016 7.9920 7.9920 8.3905 8.3905 8.5370 8.5370 8.7851 8.7851 10.0424 10.0424 11.0948 11.0948 11.6639 11.6639 13.8469 13.8469 k = 0.0607-0.0910-0.1785 ( 3813 PWs) bands (ev): -15.1167 -15.1167 -15.1109 -15.1109 -12.1602 -12.1602 -12.1479 -12.1479 -12.1315 -12.1315 -4.3126 -4.3126 -1.8536 -1.8536 0.5187 0.5187 4.7809 4.7809 4.8529 4.8529 5.1715 5.1715 5.4779 5.4779 5.6176 5.6176 6.0922 6.0922 7.0829 7.0829 7.8954 7.8954 8.3887 8.3887 8.4837 8.4837 8.8388 8.8388 10.0834 10.0834 11.0981 11.0981 11.7869 11.7869 13.9694 13.9694 k = 0.0674-0.1011-0.1983 ( 3815 PWs) bands (ev): -15.1166 -15.1166 -15.1109 -15.1109 -12.1601 -12.1601 -12.1481 -12.1481 -12.1313 -12.1313 -4.2871 -4.2871 -1.8407 -1.8407 0.5111 0.5111 4.7668 4.7668 4.8423 4.8423 5.1507 5.1507 5.4514 5.4514 5.6152 5.6152 6.0404 6.0404 7.0539 7.0539 7.7946 7.7946 8.3706 8.3706 8.4298 8.4298 8.9154 8.9154 10.1240 10.1240 11.1049 11.1049 11.9124 11.9124 14.0826 14.0826 k = 0.0742-0.1112-0.2181 ( 3819 PWs) bands (ev): -15.1165 -15.1165 -15.1110 -15.1110 -12.1601 -12.1601 -12.1483 -12.1483 -12.1311 -12.1311 -4.2589 -4.2589 -1.8267 -1.8267 0.5018 0.5018 4.7507 4.7507 4.8283 4.8283 5.1275 5.1275 5.4254 5.4254 5.6128 5.6128 5.9962 5.9962 7.0124 7.0124 7.6971 7.6971 8.2858 8.2858 8.4375 8.4375 8.9977 8.9977 10.1653 10.1653 11.1168 11.1168 12.0349 12.0349 14.1746 14.1746 k = 0.0809-0.1213-0.2379 ( 3813 PWs) bands (ev): -15.1164 -15.1164 -15.1110 -15.1110 -12.1600 -12.1600 -12.1486 -12.1486 -12.1309 -12.1309 -4.2282 -4.2282 -1.8117 -1.8117 0.4905 0.4905 4.7323 4.7323 4.8102 4.8102 5.1037 5.1037 5.4012 5.4012 5.6104 5.6104 5.9593 5.9593 6.9572 6.9572 7.6073 7.6073 8.1816 8.1816 8.4631 8.4631 9.0790 9.0790 10.2083 10.2083 11.1347 11.1347 12.1495 12.1495 14.2317 14.2317 k = 0.0876-0.1314-0.2578 ( 3813 PWs) bands (ev): -15.1163 -15.1163 -15.1110 -15.1110 -12.1600 -12.1600 -12.1488 -12.1488 -12.1306 -12.1306 -4.1948 -4.1948 -1.7957 -1.7957 0.4771 0.4771 4.7110 4.7110 4.7876 4.7876 5.0812 5.0812 5.3795 5.3795 5.6078 5.6078 5.9285 5.9285 6.8879 6.8879 7.5272 7.5272 8.0705 8.0705 8.4960 8.4960 9.1566 9.1566 10.2530 10.2530 11.1590 11.1590 12.2517 12.2517 14.2487 14.2487 k = 0.0944-0.1415-0.2776 ( 3815 PWs) bands (ev): -15.1162 -15.1162 -15.1111 -15.1111 -12.1600 -12.1600 -12.1490 -12.1490 -12.1303 -12.1303 -4.1589 -4.1589 -1.7789 -1.7789 0.4613 0.4613 4.6859 4.6859 4.7616 4.7616 5.0619 5.0619 5.3603 5.3603 5.6051 5.6051 5.9030 5.9030 6.8059 6.8059 7.4566 7.4566 7.9552 7.9552 8.5344 8.5344 9.2290 9.2290 10.2996 10.2996 11.1897 11.1897 12.3373 12.3373 14.2345 14.2345 k = 0.1011-0.1516-0.2974 ( 3819 PWs) bands (ev): -15.1161 -15.1161 -15.1111 -15.1111 -12.1600 -12.1600 -12.1492 -12.1492 -12.1300 -12.1300 -4.1203 -4.1203 -1.7614 -1.7614 0.4427 0.4427 4.6557 4.6557 4.7345 4.7345 5.0466 5.0466 5.3432 5.3432 5.6022 5.6022 5.8817 5.8817 6.7139 6.7139 7.3937 7.3937 7.8370 7.8370 8.5774 8.5774 9.2955 9.2955 10.3474 10.3474 11.2268 11.2268 12.4031 12.4031 14.1988 14.1988 k = 0.1079-0.1617-0.3173 ( 3823 PWs) bands (ev): -15.1160 -15.1160 -15.1111 -15.1111 -12.1600 -12.1600 -12.1494 -12.1494 -12.1297 -12.1297 -4.0793 -4.0793 -1.7432 -1.7432 0.4213 0.4213 4.6202 4.6202 4.7085 4.7085 5.0353 5.0353 5.3279 5.3279 5.5990 5.5990 5.8638 5.8638 6.6151 6.6151 7.3362 7.3362 7.7174 7.7174 8.6246 8.6246 9.3559 9.3559 10.3959 10.3959 11.2699 11.2699 12.4472 12.4472 14.1438 14.1438 k = 0.1146-0.1718-0.3371 ( 3819 PWs) bands (ev): -15.1159 -15.1159 -15.1112 -15.1112 -12.1601 -12.1601 -12.1495 -12.1495 -12.1294 -12.1294 -4.0357 -4.0357 -1.7245 -1.7245 0.3966 0.3966 4.5807 4.5807 4.6846 4.6846 5.0274 5.0274 5.3138 5.3138 5.5956 5.5956 5.8486 5.8486 6.5124 6.5124 7.2817 7.2817 7.5973 7.5973 8.6751 8.6751 9.4104 9.4104 10.4440 10.4440 11.3186 11.3186 12.4696 12.4696 14.0688 14.0688 k = 0.1214-0.1819-0.3569 ( 3817 PWs) bands (ev): -15.1158 -15.1158 -15.1112 -15.1112 -12.1602 -12.1602 -12.1497 -12.1497 -12.1291 -12.1291 -3.9896 -3.9896 -1.7054 -1.7054 0.3686 0.3686 4.5398 4.5398 4.6624 4.6624 5.0221 5.0221 5.3005 5.3005 5.5918 5.5918 5.8356 5.8356 6.4082 6.4082 7.2285 7.2285 7.4779 7.4779 8.7284 8.7284 9.4593 9.4593 10.4909 10.4909 11.3722 11.3722 12.4723 12.4723 13.9765 13.9765 k = 0.1281-0.1920-0.3767 ( 3819 PWs) bands (ev): -15.1157 -15.1157 -15.1112 -15.1112 -12.1603 -12.1603 -12.1498 -12.1498 -12.1288 -12.1288 -3.9411 -3.9411 -1.6861 -1.6861 0.3371 0.3371 4.4997 4.4997 4.6415 4.6415 5.0187 5.0187 5.2876 5.2876 5.5874 5.5874 5.8243 5.8243 6.3043 6.3043 7.1748 7.1748 7.3603 7.3603 8.7837 8.7837 9.5032 9.5032 10.5357 10.5357 11.4300 11.4300 12.4584 12.4584 13.8732 13.8732 k = 0.1348-0.2021-0.3966 ( 3817 PWs) bands (ev): -15.1156 -15.1156 -15.1112 -15.1112 -12.1605 -12.1605 -12.1499 -12.1499 -12.1284 -12.1284 -3.8901 -3.8901 -1.6666 -1.6666 0.3019 0.3019 4.4621 4.4621 4.6215 4.6215 5.0165 5.0165 5.2748 5.2748 5.5824 5.5824 5.8144 5.8144 6.2022 6.2022 7.1187 7.1187 7.2468 7.2468 8.8402 8.8402 9.5423 9.5423 10.5775 10.5775 11.4910 11.4910 12.4321 12.4321 13.7648 13.7648 k = 0.1416-0.2122-0.4164 ( 3813 PWs) bands (ev): -15.1155 -15.1155 -15.1113 -15.1113 -12.1607 -12.1607 -12.1500 -12.1500 -12.1281 -12.1281 -3.8368 -3.8368 -1.6471 -1.6471 0.2629 0.2629 4.4282 4.4282 4.6021 4.6021 5.0153 5.0153 5.2619 5.2619 5.5766 5.5766 5.8058 5.8058 6.1031 6.1031 7.0556 7.0556 7.1422 7.1422 8.8970 8.8970 9.5773 9.5773 10.6157 10.6157 11.5537 11.5537 12.3975 12.3975 13.6559 13.6559 k = 0.1483-0.2223-0.4362 ( 3811 PWs) bands (ev): -15.1154 -15.1154 -15.1113 -15.1113 -12.1609 -12.1609 -12.1501 -12.1501 -12.1277 -12.1277 -3.7811 -3.7811 -1.6278 -1.6278 0.2202 0.2202 4.3989 4.3989 4.5834 4.5834 5.0145 5.0145 5.2486 5.2486 5.5695 5.5695 5.7981 5.7981 6.0078 6.0078 6.9758 6.9758 7.0569 7.0569 8.9531 8.9531 9.6085 9.6085 10.6497 10.6497 11.6169 11.6169 12.3587 12.3587 13.5496 13.5496 k = 0.1551-0.2324-0.4560 ( 3805 PWs) bands (ev): -15.1153 -15.1153 -15.1113 -15.1113 -12.1611 -12.1611 -12.1501 -12.1501 -12.1274 -12.1274 -3.7231 -3.7231 -1.6088 -1.6088 0.1737 0.1737 4.3746 4.3746 4.5652 4.5652 5.0141 5.0141 5.2349 5.2349 5.5609 5.5609 5.7912 5.7912 5.9173 5.9173 6.8803 6.8803 6.9905 6.9905 9.0074 9.0074 9.6362 9.6362 10.6794 10.6794 11.6788 11.6788 12.3191 12.3191 13.4489 13.4489 k = 0.1618-0.2426-0.4759 ( 3803 PWs) bands (ev): -15.1152 -15.1152 -15.1113 -15.1113 -12.1613 -12.1613 -12.1502 -12.1502 -12.1270 -12.1270 -3.6629 -3.6629 -1.5902 -1.5902 0.1236 0.1236 4.3553 4.3553 4.5476 4.5476 5.0137 5.0137 5.2206 5.2206 5.5499 5.5499 5.7847 5.7847 5.8327 5.8327 6.7814 6.7814 6.9315 6.9315 9.0585 9.0585 9.6606 9.6606 10.7046 10.7046 11.7376 11.7376 12.2817 12.2817 13.3562 13.3562 k = 0.1686-0.2527-0.4957 ( 3809 PWs) bands (ev): -15.1151 -15.1151 -15.1113 -15.1113 -12.1615 -12.1615 -12.1503 -12.1503 -12.1267 -12.1267 -3.6005 -3.6005 -1.5723 -1.5723 0.0699 0.0699 4.3411 4.3411 4.5307 4.5307 5.0134 5.0134 5.2056 5.2056 5.5356 5.5356 5.7519 5.7519 5.7821 5.7821 6.6852 6.6852 6.8750 6.8750 9.1052 9.1052 9.6818 9.6818 10.7256 10.7256 11.7914 11.7914 12.2486 12.2486 13.2742 13.2742 k = 0.1753-0.2628-0.5155 ( 3813 PWs) bands (ev): -15.1150 -15.1150 -15.1113 -15.1113 -12.1617 -12.1617 -12.1503 -12.1503 -12.1263 -12.1263 -3.5359 -3.5359 -1.5551 -1.5551 0.0129 0.0129 4.3314 4.3314 4.5148 4.5148 5.0129 5.0129 5.1899 5.1899 5.5161 5.5161 5.6832 5.6832 5.7768 5.7768 6.5940 6.5940 6.8196 6.8196 9.1458 9.1458 9.6998 9.6998 10.7430 10.7430 11.8383 11.8383 12.2209 12.2209 13.2057 13.2057 k = 0.1820-0.2729-0.5354 ( 3809 PWs) bands (ev): -15.1149 -15.1149 -15.1113 -15.1113 -12.1619 -12.1619 -12.1504 -12.1504 -12.1260 -12.1260 -3.4692 -3.4692 -1.5388 -1.5388 -0.0472 -0.0472 4.3257 4.3257 4.4999 4.4999 5.0124 5.0124 5.1736 5.1736 5.4884 5.4884 5.6250 5.6250 5.7733 5.7733 6.5091 6.5091 6.7650 6.7650 9.1787 9.1787 9.7145 9.7145 10.7577 10.7577 11.8769 11.8769 12.1988 12.1988 13.1538 13.1538 k = 0.1888-0.2830-0.5552 ( 3813 PWs) bands (ev): -15.1149 -15.1149 -15.1113 -15.1113 -12.1621 -12.1621 -12.1504 -12.1504 -12.1257 -12.1257 -3.4005 -3.4005 -1.5237 -1.5237 -0.1102 -0.1102 4.3227 4.3227 4.4868 4.4868 5.0118 5.0118 5.1568 5.1568 5.4502 5.4502 5.5802 5.5802 5.7710 5.7710 6.4313 6.4313 6.7113 6.7113 9.2023 9.2023 9.7259 9.7259 10.7711 10.7711 11.9063 11.9063 12.1818 12.1818 13.1207 13.1207 k = 0.1955-0.2931-0.5750 ( 3815 PWs) bands (ev): -15.1148 -15.1148 -15.1113 -15.1113 -12.1622 -12.1622 -12.1505 -12.1505 -12.1253 -12.1253 -3.3299 -3.3299 -1.5097 -1.5097 -0.1758 -0.1758 4.3212 4.3212 4.4760 4.4760 5.0112 5.0112 5.1396 5.1396 5.4037 5.4037 5.5468 5.5468 5.7698 5.7698 6.3613 6.3613 6.6587 6.6587 9.2152 9.2152 9.7336 9.7336 10.7846 10.7846 11.9259 11.9259 12.1695 12.1695 13.1081 13.1081 k = 0.2023-0.3032-0.5948 ( 3819 PWs) bands (ev): -15.1147 -15.1147 -15.1113 -15.1113 -12.1624 -12.1624 -12.1506 -12.1506 -12.1250 -12.1250 -3.2575 -3.2575 -1.4971 -1.4971 -0.2436 -0.2436 4.3193 4.3193 4.4682 4.4682 5.0107 5.0107 5.1224 5.1224 5.3538 5.3538 5.5199 5.5199 5.7698 5.7698 6.2994 6.2994 6.6076 6.6076 9.2162 9.2162 9.7376 9.7376 10.7994 10.7994 11.9351 11.9351 12.1631 12.1631 13.1158 13.1158 k = 0.2090-0.3133-0.6147 ( 3811 PWs) bands (ev): -15.1146 -15.1146 -15.1113 -15.1113 -12.1625 -12.1625 -12.1507 -12.1507 -12.1248 -12.1248 -3.1833 -3.1833 -1.4861 -1.4861 -0.3134 -0.3134 4.3155 4.3155 4.4641 4.4641 5.0105 5.0105 5.1054 5.1054 5.3044 5.3044 5.4962 5.4962 5.7713 5.7713 6.2456 6.2456 6.5584 6.5584 9.2046 9.2046 9.7375 9.7375 10.8163 10.8163 11.9333 11.9333 12.1648 12.1648 13.1420 13.1420 k = 0.2158-0.3234-0.6345 ( 3811 PWs) bands (ev): -15.1145 -15.1145 -15.1113 -15.1113 -12.1625 -12.1625 -12.1509 -12.1509 -12.1245 -12.1245 -3.1074 -3.1074 -1.4766 -1.4766 -0.3849 -0.3849 4.3087 4.3087 4.4633 4.4633 5.0106 5.0106 5.0885 5.0885 5.2582 5.2582 5.4743 5.4743 5.7742 5.7742 6.1998 6.1998 6.5113 6.5113 9.1804 9.1804 9.7331 9.7331 10.8355 10.8355 11.9216 11.9216 12.1763 12.1763 13.1840 13.1840 k = 0.2225-0.3335-0.6543 ( 3811 PWs) bands (ev): -15.1145 -15.1145 -15.1114 -15.1114 -12.1626 -12.1626 -12.1510 -12.1510 -12.1242 -12.1242 -3.0299 -3.0299 -1.4688 -1.4688 -0.4576 -0.4576 4.2987 4.2987 4.4644 4.4644 5.0110 5.0110 5.0711 5.0711 5.2178 5.2178 5.4539 5.4539 5.7786 5.7786 6.1615 6.1615 6.4669 6.4669 9.1439 9.1439 9.7242 9.7242 10.8563 10.8563 11.9034 11.9034 12.1973 12.1973 13.2388 13.2388 k = 0.2292-0.3436-0.6742 ( 3807 PWs) bands (ev): -15.1144 -15.1144 -15.1114 -15.1114 -12.1626 -12.1626 -12.1512 -12.1512 -12.1240 -12.1240 -2.9510 -2.9510 -1.4628 -1.4628 -0.5314 -0.5314 4.2861 4.2861 4.4653 4.4653 5.0112 5.0112 5.0520 5.0520 5.1865 5.1865 5.4354 5.4354 5.7844 5.7844 6.1302 6.1302 6.4255 6.4255 9.0960 9.0960 9.7108 9.7108 10.8777 10.8777 11.8830 11.8830 12.2264 12.2264 13.3035 13.3035 k = 0.2360-0.3537-0.6940 ( 3809 PWs) bands (ev): -15.1143 -15.1143 -15.1114 -15.1114 -12.1626 -12.1626 -12.1513 -12.1513 -12.1238 -12.1238 -2.8708 -2.8708 -1.4587 -1.4587 -0.6060 -0.6060 4.2717 4.2717 4.4639 4.4639 5.0049 5.0049 5.0356 5.0356 5.1676 5.1676 5.4191 5.4191 5.7916 5.7916 6.1052 6.1052 6.3879 6.3879 9.0380 9.0380 9.6927 9.6927 10.8978 10.8978 11.8642 11.8642 12.2625 12.2625 13.3760 13.3760 k = 0.2427-0.3638-0.7138 ( 3807 PWs) bands (ev): -15.1142 -15.1142 -15.1114 -15.1114 -12.1625 -12.1625 -12.1516 -12.1516 -12.1236 -12.1236 -2.7893 -2.7893 -1.4566 -1.4566 -0.6809 -0.6809 4.2560 4.2560 4.4584 4.4584 4.9795 4.9795 5.0349 5.0349 5.1611 5.1611 5.4056 5.4056 5.8000 5.8000 6.0861 6.0861 6.3544 6.3544 8.9711 8.9711 9.6697 9.6697 10.9150 10.9150 11.8494 11.8494 12.3046 12.3046 13.4543 13.4543 k = 0.2495-0.3739-0.7336 ( 3811 PWs) bands (ev): -15.1141 -15.1141 -15.1115 -15.1115 -12.1624 -12.1624 -12.1518 -12.1518 -12.1235 -12.1235 -2.7068 -2.7068 -1.4563 -1.4563 -0.7561 -0.7561 4.2394 4.2394 4.4483 4.4483 4.9439 4.9439 5.0435 5.0435 5.1643 5.1643 5.3957 5.3957 5.8092 5.8092 6.0724 6.0724 6.3260 6.3260 8.8968 8.8968 9.6419 9.6419 10.9279 10.9279 11.8400 11.8400 12.3526 12.3526 13.5370 13.5370 k = 0.2562-0.3840-0.7535 ( 3805 PWs) bands (ev): -15.1140 -15.1140 -15.1115 -15.1115 -12.1622 -12.1622 -12.1520 -12.1520 -12.1233 -12.1233 -2.6234 -2.6234 -1.4581 -1.4581 -0.8311 -0.8311 4.2221 4.2221 4.4337 4.4337 4.9049 4.9049 5.0563 5.0563 5.1737 5.1737 5.3904 5.3904 5.8187 5.8187 6.0641 6.0641 6.3037 6.3037 8.8163 8.8163 9.6093 9.6093 10.9356 10.9356 11.8362 11.8362 12.4063 12.4063 13.6231 13.6231 k = 0.2629-0.3941-0.7733 ( 3803 PWs) bands (ev): -15.1139 -15.1139 -15.1116 -15.1116 -12.1621 -12.1621 -12.1523 -12.1523 -12.1232 -12.1232 -2.5393 -2.5393 -1.4618 -1.4618 -0.9058 -0.9058 4.2042 4.2042 4.4157 4.4157 4.8646 4.8646 5.0717 5.0717 5.1863 5.1863 5.3909 5.3909 5.8276 5.8276 6.0607 6.0607 6.2889 6.2889 8.7309 8.7309 9.5717 9.5717 10.9378 10.9378 11.8371 11.8371 12.4658 12.4658 13.7117 13.7117 k = 0.2697-0.4043-0.7931 ( 3809 PWs) bands (ev): -15.1138 -15.1138 -15.1117 -15.1117 -12.1618 -12.1618 -12.1526 -12.1526 -12.1231 -12.1231 -2.4546 -2.4546 -1.4674 -1.4674 -0.9800 -0.9800 4.1855 4.1855 4.3959 4.3959 4.8238 4.8238 5.0884 5.0884 5.1991 5.1991 5.3987 5.3987 5.8353 5.8353 6.0618 6.0618 6.2834 6.2834 8.6415 8.6415 9.5295 9.5295 10.9350 10.9350 11.8411 11.8411 12.5314 12.5314 13.8020 13.8020 k = 0.2764-0.4144-0.8130 ( 3817 PWs) bands (ev): -15.1137 -15.1137 -15.1117 -15.1117 -12.1616 -12.1616 -12.1529 -12.1529 -12.1230 -12.1230 -2.3695 -2.3695 -1.4750 -1.4750 -1.0534 -1.0534 4.1659 4.1659 4.3760 4.3760 4.7829 4.7829 5.1053 5.1053 5.2100 5.2100 5.4146 5.4146 5.8409 5.8409 6.0662 6.0662 6.2895 6.2895 8.5491 8.5491 9.4826 9.4826 10.9278 10.9278 11.8465 11.8465 12.6029 12.6029 13.8933 13.8933 k = 0.2832-0.4245-0.8328 ( 3811 PWs) bands (ev): -15.1136 -15.1136 -15.1118 -15.1118 -12.1613 -12.1613 -12.1532 -12.1532 -12.1229 -12.1229 -2.2843 -2.2843 -1.4843 -1.4843 -1.1258 -1.1258 4.1451 4.1451 4.3576 4.3576 4.7421 4.7421 5.1209 5.1209 5.2186 5.2186 5.4384 5.4384 5.8445 5.8445 6.0728 6.0728 6.3092 6.3092 8.4545 8.4545 9.4314 9.4314 10.9172 10.9172 11.8517 11.8517 12.6801 12.6801 13.9851 13.9851 k = 0.2899-0.4346-0.8526 ( 3803 PWs) bands (ev): -15.1135 -15.1135 -15.1119 -15.1119 -12.1610 -12.1610 -12.1536 -12.1536 -12.1229 -12.1229 -2.1991 -2.1991 -1.4954 -1.4954 -1.1971 -1.1971 4.1234 4.1234 4.3417 4.3417 4.7016 4.7016 5.1340 5.1340 5.2256 5.2256 5.4684 5.4684 5.8460 5.8460 6.0809 6.0809 6.3437 6.3437 8.3584 8.3584 9.3759 9.3759 10.9041 10.9041 11.8550 11.8550 12.7623 12.7623 14.0764 14.0764 k = 0.2967-0.4447-0.8724 ( 3807 PWs) bands (ev): -15.1134 -15.1134 -15.1120 -15.1120 -12.1607 -12.1607 -12.1539 -12.1539 -12.1228 -12.1228 -2.1143 -2.1143 -1.5081 -1.5081 -1.2669 -1.2669 4.1011 4.1011 4.3288 4.3288 4.6616 4.6616 5.1435 5.1435 5.2323 5.2323 5.5026 5.5026 5.8462 5.8462 6.0908 6.0908 6.3924 6.3924 8.2612 8.2612 9.3165 9.3165 10.8893 10.8893 11.8557 11.8557 12.8487 12.8487 14.1664 14.1664 k = 0.3034-0.4548-0.8923 ( 3799 PWs) bands (ev): -15.1133 -15.1133 -15.1121 -15.1121 -12.1604 -12.1604 -12.1542 -12.1542 -12.1228 -12.1228 -2.0301 -2.0301 -1.5225 -1.5225 -1.3351 -1.3351 4.0789 4.0789 4.3189 4.3189 4.6226 4.6226 5.1489 5.1489 5.2394 5.2394 5.5391 5.5391 5.8456 5.8456 6.1039 6.1039 6.4541 6.4541 8.1636 8.1636 9.2535 9.2535 10.8733 10.8733 11.8532 11.8532 12.9381 12.9381 14.2538 14.2538 k = 0.3101-0.4649-0.9121 ( 3815 PWs) bands (ev): -15.1131 -15.1131 -15.1122 -15.1122 -12.1601 -12.1601 -12.1545 -12.1545 -12.1228 -12.1228 -1.9470 -1.9470 -1.5384 -1.5384 -1.4011 -1.4011 4.0575 4.0575 4.3115 4.3115 4.5852 4.5852 5.1506 5.1506 5.2468 5.2468 5.5757 5.5757 5.8450 5.8450 6.1216 6.1216 6.5272 6.5272 8.0661 8.0661 9.1869 9.1869 10.8567 10.8567 11.8470 11.8470 13.0292 13.0292 14.3369 14.3369 k = 0.3169-0.4750-0.9319 ( 3809 PWs) bands (ev): -15.1130 -15.1130 -15.1123 -15.1123 -12.1598 -12.1598 -12.1548 -12.1548 -12.1228 -12.1228 -1.8655 -1.8655 -1.5561 -1.5561 -1.4643 -1.4643 4.0378 4.0378 4.3057 4.3057 4.5503 4.5503 5.1495 5.1495 5.2540 5.2540 5.6104 5.6104 5.8452 5.8452 6.1457 6.1457 6.6102 6.6102 7.9690 7.9690 9.1170 9.1170 10.8398 10.8398 11.8374 11.8374 13.1200 13.1200 14.4131 14.4131 k = 0.3236-0.4851-0.9518 ( 3801 PWs) bands (ev): -15.1129 -15.1129 -15.1124 -15.1124 -12.1596 -12.1596 -12.1550 -12.1550 -12.1228 -12.1228 -1.7870 -1.7870 -1.5767 -1.5767 -1.5220 -1.5220 4.0205 4.0205 4.3001 4.3001 4.5191 4.5191 5.1465 5.1465 5.2602 5.2602 5.6414 5.6414 5.8466 5.8466 6.1779 6.1779 6.7015 6.7015 7.8728 7.8728 9.0440 9.0440 10.8229 10.8229 11.8245 11.8245 13.2087 13.2087 14.4786 14.4786 k = 0.3304-0.4952-0.9716 ( 3794 PWs) bands (ev): -15.1128 -15.1128 -15.1125 -15.1125 -12.1595 -12.1595 -12.1551 -12.1551 -12.1228 -12.1228 -1.7171 -1.7171 -1.6046 -1.6046 -1.5645 -1.5645 4.0061 4.0061 4.2932 4.2932 4.4933 4.4933 5.1422 5.1422 5.2651 5.2651 5.6670 5.6670 5.8498 5.8498 6.2191 6.2191 6.7999 6.7999 7.7780 7.7780 8.9681 8.9681 10.8062 10.8062 11.8085 11.8085 13.2926 13.2926 14.5275 14.5275 k = 0.3371-0.5053-0.9914 ( 3796 PWs) bands (ev): -15.1128 -15.1128 -15.1125 -15.1125 -12.1595 -12.1595 -12.1551 -12.1551 -12.1228 -12.1228 -1.6922 -1.6922 -1.6220 -1.6220 -1.5729 -1.5729 3.9949 3.9949 4.2833 4.2833 4.4749 4.4749 5.1372 5.1372 5.2684 5.2684 5.6864 5.6864 5.8549 5.8549 6.2699 6.2699 6.9042 6.9042 7.6851 7.6851 8.8894 8.8894 10.7899 10.7899 11.7899 11.7899 13.3687 13.3687 14.5522 14.5522 k = 0.3439-0.5154-1.0112 ( 3794 PWs) bands (ev): -15.1129 -15.1129 -15.1124 -15.1124 -12.1597 -12.1597 -12.1550 -12.1550 -12.1228 -12.1228 -1.7324 -1.7324 -1.6322 -1.6322 -1.5240 -1.5240 3.9870 3.9870 4.2693 4.2693 4.4650 4.4650 5.1317 5.1317 5.2703 5.2703 5.6999 5.6999 5.8614 5.8614 6.3299 6.3299 7.0134 7.0134 7.5949 7.5949 8.8082 8.8082 10.7741 10.7741 11.7690 11.7690 13.4333 13.4333 14.5445 14.5445 k = 0.6561-0.3639-0.9184 ( 3794 PWs) bands (ev): -15.1129 -15.1129 -15.1124 -15.1124 -12.1597 -12.1597 -12.1550 -12.1550 -12.1228 -12.1228 -1.7324 -1.7324 -1.6322 -1.6322 -1.5240 -1.5240 3.9870 3.9870 4.2693 4.2693 4.4650 4.4650 5.1317 5.1317 5.2703 5.2703 5.6999 5.6999 5.8614 5.8614 6.3299 6.3299 7.0134 7.0134 7.5949 7.5949 8.8082 8.8082 10.7741 10.7741 11.7690 11.7690 13.4333 13.4333 14.5445 14.5445 k = 0.6496-0.3425-0.9184 ( 3798 PWs) bands (ev): -15.1130 -15.1130 -15.1123 -15.1123 -12.1599 -12.1599 -12.1548 -12.1548 -12.1228 -12.1228 -1.7821 -1.7821 -1.6501 -1.6501 -1.4584 -1.4584 3.9823 3.9823 4.2528 4.2528 4.4634 4.4634 5.1261 5.1261 5.2706 5.2706 5.7082 5.7082 5.8684 5.8684 6.3953 6.3953 7.1223 7.1223 7.5113 7.5113 8.7276 8.7276 10.7595 10.7595 11.7472 11.7472 13.4805 13.4805 14.5024 14.5024 k = 0.6431-0.3210-0.9184 ( 3798 PWs) bands (ev): -15.1132 -15.1132 -15.1122 -15.1122 -12.1602 -12.1602 -12.1544 -12.1544 -12.1228 -12.1228 -1.8324 -1.8324 -1.6696 -1.6696 -1.3911 -1.3911 3.9800 3.9800 4.2353 4.2353 4.4685 4.4685 5.1204 5.1204 5.2699 5.2699 5.7131 5.7131 5.8757 5.8757 6.4660 6.4660 7.2332 7.2332 7.4330 7.4330 8.6451 8.6451 10.7457 10.7457 11.7241 11.7241 13.5087 13.5087 14.4291 14.4291 k = 0.6366-0.2995-0.9184 ( 3796 PWs) bands (ev): -15.1133 -15.1133 -15.1120 -15.1120 -12.1606 -12.1606 -12.1540 -12.1540 -12.1228 -12.1228 -1.8816 -1.8816 -1.6895 -1.6895 -1.3251 -1.3251 3.9788 3.9788 4.2195 4.2195 4.4789 4.4789 5.1147 5.1147 5.2681 5.2681 5.7156 5.7156 5.8827 5.8827 6.5392 6.5392 7.3328 7.3328 7.3745 7.3745 8.5612 8.5612 10.7328 10.7328 11.7001 11.7001 13.5136 13.5136 14.3324 14.3324 k = 0.6301-0.2780-0.9184 ( 3802 PWs) bands (ev): -15.1135 -15.1135 -15.1119 -15.1119 -12.1611 -12.1611 -12.1536 -12.1536 -12.1227 -12.1227 -1.9292 -1.9292 -1.7095 -1.7095 -1.2612 -1.2612 3.9770 3.9770 4.2085 4.2085 4.4934 4.4934 5.1091 5.1091 5.2654 5.2654 5.7165 5.7165 5.8894 5.8894 6.6102 6.6102 7.2945 7.2945 7.4646 7.4646 8.4770 8.4770 10.7209 10.7209 11.6757 11.6757 13.4922 13.4922 14.2214 14.2214 k = 0.6236-0.2566-0.9184 ( 3806 PWs) bands (ev): -15.1136 -15.1136 -15.1118 -15.1118 -12.1615 -12.1615 -12.1532 -12.1532 -12.1227 -12.1227 -1.9749 -1.9749 -1.7295 -1.7295 -1.1998 -1.1998 3.9727 3.9727 4.2055 4.2055 4.5111 4.5111 5.1036 5.1036 5.2621 5.2621 5.7164 5.7164 5.8955 5.8955 6.6712 6.6712 7.2520 7.2520 7.5745 7.5745 8.3941 8.3941 10.7101 10.7101 11.6511 11.6511 13.4435 13.4435 14.1030 14.1030 k = 0.6171-0.2351-0.9184 ( 3806 PWs) bands (ev): -15.1138 -15.1138 -15.1116 -15.1116 -12.1620 -12.1620 -12.1527 -12.1527 -12.1227 -12.1227 -2.0185 -2.0185 -1.7492 -1.7492 -1.1413 -1.1413 3.9641 3.9641 4.2125 4.2125 4.5314 4.5314 5.0982 5.0982 5.2584 5.2584 5.7156 5.7156 5.9009 5.9009 6.7109 6.7109 7.2376 7.2376 7.6784 7.6784 8.3166 8.3166 10.7007 10.7007 11.6267 11.6267 13.3686 13.3686 13.9820 13.9820 k = 0.6106-0.2136-0.9184 ( 3808 PWs) bands (ev): -15.1139 -15.1139 -15.1115 -15.1115 -12.1625 -12.1625 -12.1523 -12.1523 -12.1227 -12.1227 -2.0601 -2.0601 -1.7686 -1.7686 -1.0858 -1.0858 3.9509 3.9509 4.2303 4.2303 4.5540 4.5540 5.0932 5.0932 5.2542 5.2542 5.7145 5.7145 5.9058 5.9058 6.7193 6.7193 7.2610 7.2610 7.7656 7.7656 8.2540 8.2540 10.6927 10.6927 11.6030 11.6030 13.2708 13.2708 13.8614 13.8614 k = 0.6041-0.1921-0.9184 ( 3808 PWs) bands (ev): -15.1140 -15.1140 -15.1114 -15.1114 -12.1630 -12.1630 -12.1519 -12.1519 -12.1226 -12.1226 -2.0994 -2.0994 -1.7874 -1.7874 -1.0334 -1.0334 3.9342 3.9342 4.2582 4.2582 4.5784 4.5784 5.0884 5.0884 5.2500 5.2500 5.7132 5.7132 5.9100 5.9100 6.6978 6.6978 7.3206 7.3206 7.8154 7.8154 8.2266 8.2266 10.6861 10.6861 11.5803 11.5803 13.1543 13.1543 13.7432 13.7432 k = 0.5976-0.1707-0.9184 ( 3812 PWs) bands (ev): -15.1142 -15.1142 -15.1113 -15.1113 -12.1635 -12.1635 -12.1514 -12.1514 -12.1226 -12.1226 -2.1366 -2.1366 -1.8057 -1.8057 -0.9844 -0.9844 3.9150 3.9150 4.2948 4.2948 4.6044 4.6044 5.0839 5.0839 5.2457 5.2457 5.7118 5.7118 5.9134 5.9134 6.6562 6.6562 7.4055 7.4055 7.8074 7.8074 8.2550 8.2550 10.6811 10.6811 11.5588 11.5588 13.0235 13.0235 13.6287 13.6287 k = 0.5911-0.1492-0.9184 ( 3810 PWs) bands (ev): -15.1143 -15.1143 -15.1111 -15.1111 -12.1639 -12.1639 -12.1510 -12.1510 -12.1225 -12.1225 -2.1715 -2.1715 -1.8232 -1.8232 -0.9387 -0.9387 3.8947 3.8947 4.3390 4.3390 4.6319 4.6319 5.0799 5.0799 5.2415 5.2415 5.7104 5.7104 5.9160 5.9160 6.6041 6.6041 7.5023 7.5023 7.7555 7.7555 8.3282 8.3282 10.6776 10.6776 11.5390 11.5390 12.8824 12.8824 13.5191 13.5191 k = 0.5846-0.1277-0.9184 ( 3814 PWs) bands (ev): -15.1144 -15.1144 -15.1110 -15.1110 -12.1644 -12.1644 -12.1506 -12.1506 -12.1224 -12.1224 -2.2040 -2.2040 -1.8400 -1.8400 -0.8964 -0.8964 3.8742 3.8742 4.3893 4.3893 4.6606 4.6606 5.0764 5.0764 5.2377 5.2377 5.7089 5.7089 5.9176 5.9176 6.5476 6.5476 7.5778 7.5778 7.7108 7.7108 8.4219 8.4219 10.6753 10.6753 11.5213 11.5213 12.7346 12.7346 13.4150 13.4150 k = 0.5781-0.1062-0.9184 ( 3810 PWs) bands (ev): -15.1146 -15.1146 -15.1109 -15.1109 -12.1648 -12.1648 -12.1503 -12.1503 -12.1224 -12.1224 -2.2343 -2.2343 -1.8559 -1.8559 -0.8576 -0.8576 3.8540 3.8540 4.4448 4.4448 4.6904 4.6904 5.0736 5.0736 5.2345 5.2345 5.7075 5.7075 5.9179 5.9179 6.4903 6.4903 7.5361 7.5361 7.7783 7.7783 8.5226 8.5226 10.6738 10.6738 11.5058 11.5058 12.5836 12.5836 13.3171 13.3171 k = 0.5716-0.0848-0.9184 ( 3810 PWs) bands (ev): -15.1147 -15.1147 -15.1108 -15.1108 -12.1652 -12.1652 -12.1499 -12.1499 -12.1223 -12.1223 -2.2622 -2.2622 -1.8708 -1.8708 -0.8221 -0.8221 3.8345 3.8345 4.5039 4.5039 4.7215 4.7215 5.0715 5.0715 5.2319 5.2319 5.7061 5.7061 5.9165 5.9165 6.4345 6.4345 7.4429 7.4429 7.8957 7.8957 8.6241 8.6241 10.6724 10.6724 11.4930 11.4930 12.4326 12.4326 13.2259 13.2259 k = 0.5651-0.0633-0.9184 ( 3818 PWs) bands (ev): -15.1148 -15.1148 -15.1107 -15.1107 -12.1656 -12.1656 -12.1496 -12.1496 -12.1222 -12.1222 -2.2877 -2.2877 -1.8846 -1.8846 -0.7900 -0.7900 3.8162 3.8162 4.5651 4.5651 4.7539 4.7539 5.0704 5.0704 5.2302 5.2302 5.7045 5.7045 5.9130 5.9130 6.3822 6.3822 7.3399 7.3399 8.0224 8.0224 8.7232 8.7232 10.6698 10.6698 11.4827 11.4827 12.2851 12.2851 13.1414 13.1414 k = 0.5586-0.0418-0.9184 ( 3812 PWs) bands (ev): -15.1149 -15.1149 -15.1107 -15.1107 -12.1660 -12.1660 -12.1493 -12.1493 -12.1222 -12.1222 -2.3109 -2.3109 -1.8974 -1.8974 -0.7612 -0.7612 3.7991 3.7991 4.6260 4.6260 4.7884 4.7884 5.0706 5.0706 5.2299 5.2299 5.7027 5.7027 5.9067 5.9067 6.3351 6.3351 7.2337 7.2337 8.1520 8.1520 8.8183 8.8183 10.6644 10.6644 11.4746 11.4746 12.1453 12.1453 13.0637 13.0637 k = 0.5520-0.0203-0.9184 ( 3816 PWs) bands (ev): -15.1150 -15.1150 -15.1106 -15.1106 -12.1663 -12.1663 -12.1490 -12.1490 -12.1221 -12.1221 -2.3316 -2.3316 -1.9089 -1.9089 -0.7358 -0.7358 3.7836 3.7836 4.6834 4.6834 4.8257 4.8257 5.0728 5.0728 5.2312 5.2312 5.7005 5.7005 5.8968 5.8968 6.2950 6.2950 7.1266 7.1266 8.2818 8.2818 8.9083 8.9083 10.6538 10.6538 11.4673 11.4673 12.0184 12.0184 12.9927 12.9927 k = 0.5455 0.0011-0.9184 ( 3814 PWs) bands (ev): -15.1151 -15.1151 -15.1105 -15.1105 -12.1666 -12.1666 -12.1488 -12.1488 -12.1220 -12.1220 -2.3500 -2.3500 -1.9192 -1.9192 -0.7135 -0.7135 3.7696 3.7696 4.7337 4.7337 4.8666 4.8666 5.0779 5.0779 5.2348 5.2348 5.6974 5.6974 5.8828 5.8828 6.2636 6.2636 7.0202 7.0202 8.4090 8.4090 8.9927 8.9927 10.6352 10.6352 11.4582 11.4582 11.9112 11.9112 12.9284 12.9284 k = 0.5390 0.0226-0.9184 ( 3814 PWs) bands (ev): -15.1151 -15.1151 -15.1104 -15.1104 -12.1668 -12.1668 -12.1486 -12.1486 -12.1220 -12.1220 -2.3659 -2.3659 -1.9283 -1.9283 -0.6944 -0.6944 3.7574 3.7574 4.7744 4.7744 4.9088 4.9088 5.0874 5.0874 5.2419 5.2419 5.6928 5.6928 5.8650 5.8650 6.2422 6.2422 6.9161 6.9161 8.5309 8.5309 9.0719 9.0719 10.6059 10.6059 11.4430 11.4430 11.8317 11.8317 12.8704 12.8704 k = 0.5325 0.0441-0.9184 ( 3812 PWs) bands (ev): -15.1152 -15.1152 -15.1104 -15.1104 -12.1671 -12.1671 -12.1484 -12.1484 -12.1219 -12.1219 -2.3794 -2.3794 -1.9360 -1.9360 -0.6783 -0.6783 3.7469 3.7469 4.8060 4.8060 4.9468 4.9468 5.1028 5.1028 5.2540 5.2540 5.6857 5.6857 5.8446 5.8446 6.2315 6.2315 6.8160 6.8160 8.6436 8.6436 9.1465 9.1465 10.5645 10.5645 11.4188 11.4188 11.7849 11.7849 12.8189 12.8189 k = 0.5260 0.0656-0.9184 ( 3812 PWs) bands (ev): -15.1152 -15.1152 -15.1104 -15.1104 -12.1673 -12.1673 -12.1483 -12.1483 -12.1219 -12.1219 -2.3904 -2.3904 -1.9424 -1.9424 -0.6653 -0.6653 3.7383 3.7383 4.8298 4.8298 4.9747 4.9747 5.1232 5.1232 5.2736 5.2736 5.6748 5.6748 5.8240 5.8240 6.2312 6.2312 6.7219 6.7219 8.7427 8.7427 9.2171 9.2171 10.5120 10.5120 11.3888 11.3888 11.7679 11.7679 12.7738 12.7738 k = 0.5195 0.0870-0.9184 ( 3812 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1674 -12.1674 -12.1482 -12.1482 -12.1218 -12.1218 -2.3990 -2.3990 -1.9474 -1.9474 -0.6552 -0.6552 3.7316 3.7316 4.8474 4.8474 4.9921 4.9921 5.1431 5.1431 5.3017 5.3017 5.6590 5.6590 5.8064 5.8064 6.2407 6.2407 6.6362 6.6362 8.8236 8.8236 9.2831 9.2831 10.4531 10.4531 11.3598 11.3598 11.7702 11.7702 12.7360 12.7360 k = 0.5130 0.1085-0.9184 ( 3810 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4051 -2.4051 -1.9509 -1.9509 -0.6480 -0.6480 3.7267 3.7267 4.8595 4.8595 5.0020 5.0020 5.1577 5.1577 5.3344 5.3344 5.6396 5.6396 5.7939 5.7939 6.2576 6.2576 6.5630 6.5630 8.8828 8.8828 9.3406 9.3406 10.3969 10.3969 11.3374 11.3374 11.7809 11.7809 12.7068 12.7068 k = 0.5065 0.1300-0.9184 ( 3812 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4088 -2.4088 -1.9531 -1.9531 -0.6437 -0.6437 3.7238 3.7238 4.8666 4.8666 5.0069 5.0069 5.1660 5.1660 5.3623 5.3623 5.6216 5.6216 5.7868 5.7868 6.2766 6.2766 6.5094 6.5094 8.9184 8.9184 9.3817 9.3817 10.3552 10.3552 11.3236 11.3236 11.7911 11.7911 12.6881 12.6881 k = 0.5000 0.1515-0.9184 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4100 -2.4100 -1.9538 -1.9538 -0.6423 -0.6423 3.7228 3.7228 4.8689 4.8689 5.0084 5.0084 5.1686 5.1686 5.3736 5.3736 5.6139 5.6139 5.7845 5.7845 6.2859 6.2859 6.4884 6.4884 8.9302 8.9302 9.3969 9.3969 10.3396 10.3396 11.3191 11.3191 11.7952 11.7952 12.6816 12.6816 k = 0.5000 0.1515-0.9184 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4100 -2.4100 -1.9538 -1.9538 -0.6423 -0.6423 3.7228 3.7228 4.8689 4.8689 5.0084 5.0084 5.1686 5.1686 5.3736 5.3736 5.6139 5.6139 5.7845 5.7845 6.2859 6.2859 6.4884 6.4884 8.9302 8.9302 9.3969 9.3969 10.3396 10.3396 11.3191 11.3191 11.7952 11.7952 12.6816 12.6816 k = 0.5173 0.1567-0.9081 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4111 -2.4111 -1.9530 -1.9530 -0.6421 -0.6421 3.7219 3.7219 4.8685 4.8685 5.0104 5.0104 5.1618 5.1618 5.3820 5.3820 5.6140 5.6140 5.7838 5.7838 6.2872 6.2872 6.4915 6.4915 8.9232 8.9232 9.3811 9.3811 10.3481 10.3481 11.3265 11.3265 11.7900 11.7900 12.6912 12.6912 k = 0.5347 0.1620-0.8978 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4144 -2.4144 -1.9507 -1.9507 -0.6415 -0.6415 3.7192 3.7192 4.8674 4.8674 5.0156 5.0156 5.1453 5.1453 5.4043 5.4043 5.6143 5.6143 5.7819 5.7819 6.2908 6.2908 6.5008 6.5008 8.9021 8.9021 9.3364 9.3364 10.3707 10.3707 11.3481 11.3481 11.7766 11.7766 12.7180 12.7180 k = 0.5520 0.1672-0.8875 ( 3825 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4197 -2.4197 -1.9468 -1.9468 -0.6404 -0.6404 3.7150 3.7150 4.8654 4.8654 5.0204 5.0204 5.1279 5.1279 5.4350 5.4350 5.6148 5.6148 5.7791 5.7791 6.2964 6.2964 6.5163 6.5163 8.8665 8.8665 9.2701 9.2701 10.4004 10.4004 11.3823 11.3823 11.7612 11.7612 12.7574 12.7574 k = 0.5694 0.1725-0.8772 ( 3823 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4270 -2.4270 -1.9416 -1.9416 -0.6388 -0.6388 3.7094 3.7094 4.8621 4.8621 5.0165 5.0165 5.1212 5.1212 5.4702 5.4702 5.6159 5.6159 5.7759 5.7759 6.3036 6.3036 6.5382 6.5382 8.8156 8.8156 9.1904 9.1904 10.4292 10.4292 11.4256 11.4256 11.7524 11.7524 12.8039 12.8039 k = 0.5867 0.1778-0.8669 ( 3828 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4363 -2.4363 -1.9349 -1.9349 -0.6368 -0.6368 3.7028 3.7028 4.8576 4.8576 4.9981 4.9981 5.1328 5.1328 5.5075 5.5075 5.6178 5.6178 5.7730 5.7730 6.3120 6.3120 6.5661 6.5661 8.7485 8.7485 9.1050 9.1050 10.4507 10.4507 11.4731 11.4731 11.7596 11.7596 12.8531 12.8531 k = 0.6041 0.1830-0.8566 ( 3826 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4473 -2.4473 -1.9271 -1.9271 -0.6343 -0.6343 3.6956 3.6956 4.8519 4.8519 4.9700 4.9700 5.1582 5.1582 5.5448 5.5448 5.6214 5.6214 5.7712 5.7712 6.3214 6.3214 6.5998 6.5998 8.6649 8.6649 9.0195 9.0195 10.4600 10.4600 11.5193 11.5193 11.7911 11.7911 12.9018 12.9018 k = 0.6214 0.1883-0.8462 ( 3820 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1219 -12.1219 -2.4600 -2.4600 -1.9182 -1.9182 -0.6312 -0.6312 3.6882 3.6882 4.8451 4.8451 4.9377 4.9377 5.1917 5.1917 5.5785 5.5785 5.6290 5.6290 5.7718 5.7718 6.3319 6.3319 6.6387 6.6387 8.5658 8.5658 8.9371 8.9371 10.4550 10.4550 11.5627 11.5627 11.8493 11.8493 12.9489 12.9489 k = 0.6388 0.1935-0.8359 ( 3818 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1219 -12.1219 -2.4743 -2.4743 -1.9083 -1.9083 -0.6276 -0.6276 3.6809 3.6809 4.8370 4.8370 4.9040 4.9040 5.2296 5.2296 5.6021 5.6021 5.6457 5.6457 5.7765 5.7765 6.3437 6.3437 6.6823 6.6823 8.4537 8.4537 8.8584 8.8584 10.4356 10.4356 11.6068 11.6068 11.9296 11.9296 12.9939 12.9939 k = 0.6561 0.1988-0.8256 ( 3813 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1674 -12.1674 -12.1481 -12.1481 -12.1219 -12.1219 -2.4899 -2.4899 -1.8976 -1.8976 -0.6235 -0.6235 3.6740 3.6740 4.8275 4.8275 4.8707 4.8707 5.2695 5.2695 5.6146 5.6146 5.6703 5.6703 5.7883 5.7883 6.3573 6.3573 6.7299 6.7299 8.3321 8.3321 8.7827 8.7827 10.4033 10.4033 11.6553 11.6553 12.0253 12.0253 13.0373 13.0373 k = 0.6561 0.1988-0.8256 ( 3813 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1674 -12.1674 -12.1481 -12.1481 -12.1219 -12.1219 -2.4899 -2.4899 -1.8976 -1.8976 -0.6235 -0.6235 3.6740 3.6740 4.8275 4.8275 4.8707 4.8707 5.2695 5.2695 5.6146 5.6146 5.6703 5.6703 5.7883 5.7883 6.3573 6.3573 6.7299 6.7299 8.3321 8.3321 8.7827 8.7827 10.4033 10.4033 11.6553 11.6553 12.0253 12.0253 13.0373 13.0373 k = 0.6523 0.1976-0.8032 ( 3804 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1673 -12.1673 -12.1481 -12.1481 -12.1220 -12.1220 -2.5415 -2.5415 -1.8643 -1.8643 -0.6138 -0.6138 3.6757 3.6757 4.8335 4.8335 4.8983 4.8983 5.3008 5.3008 5.6133 5.6133 5.6593 5.6593 5.8027 5.8027 6.3975 6.3975 6.7012 6.7012 8.2544 8.2544 8.7939 8.7939 10.4132 10.4132 11.6543 11.6543 12.0378 12.0378 13.0398 13.0398 k = 0.6485 0.1965-0.7808 ( 3806 PWs) bands (ev): -15.1153 -15.1153 -15.1104 -15.1104 -12.1672 -12.1672 -12.1482 -12.1482 -12.1222 -12.1222 -2.6006 -2.6006 -1.8313 -1.8313 -0.5970 -0.5970 3.6821 3.6821 4.8392 4.8392 4.9261 4.9261 5.3291 5.3291 5.6065 5.6065 5.6548 5.6548 5.8191 5.8191 6.4405 6.4405 6.6804 6.6804 8.1716 8.1716 8.8092 8.8092 10.4266 10.4266 11.6521 11.6521 12.0506 12.0506 13.0473 13.0473 k = 0.6447 0.1953-0.7584 ( 3804 PWs) bands (ev): -15.1153 -15.1153 -15.1104 -15.1104 -12.1670 -12.1670 -12.1482 -12.1482 -12.1223 -12.1223 -2.6645 -2.6645 -1.8017 -1.8017 -0.5725 -0.5725 3.6934 3.6934 4.8449 4.8449 4.9539 4.9539 5.3529 5.3529 5.5959 5.5959 5.6564 5.6564 5.8363 5.8363 6.4828 6.4828 6.6720 6.6720 8.0858 8.0858 8.8273 8.8273 10.4431 10.4431 11.6494 11.6494 12.0632 12.0632 13.0596 13.0596 k = 0.6409 0.1942-0.7360 ( 3813 PWs) bands (ev): -15.1153 -15.1153 -15.1104 -15.1104 -12.1667 -12.1667 -12.1483 -12.1483 -12.1225 -12.1225 -2.7313 -2.7313 -1.7776 -1.7776 -0.5401 -0.5401 3.7096 3.7096 4.8503 4.8503 4.9814 4.9814 5.3710 5.3710 5.5855 5.5855 5.6617 5.6617 5.8534 5.8534 6.5168 6.5168 6.6842 6.6842 7.9984 7.9984 8.8473 8.8473 10.4622 10.4622 11.6469 11.6469 12.0749 12.0749 13.0760 13.0760 k = 0.6371 0.1930-0.7136 ( 3817 PWs) bands (ev): -15.1153 -15.1153 -15.1105 -15.1105 -12.1665 -12.1665 -12.1484 -12.1484 -12.1228 -12.1228 -2.7998 -2.7998 -1.7600 -1.7600 -0.4996 -0.4996 3.7308 3.7308 4.8557 4.8557 5.0083 5.0083 5.3820 5.3820 5.5779 5.5779 5.6694 5.6694 5.8694 5.8694 6.5366 6.5366 6.7237 6.7237 7.9106 7.9106 8.8687 8.8687 10.4833 10.4833 11.6452 11.6452 12.0857 12.0857 13.0962 13.0962 k = 0.6333 0.1919-0.6912 ( 3822 PWs) bands (ev): -15.1153 -15.1153 -15.1105 -15.1105 -12.1662 -12.1662 -12.1484 -12.1484 -12.1230 -12.1230 -2.8692 -2.8692 -1.7493 -1.7493 -0.4515 -0.4515 3.7570 3.7570 4.8608 4.8608 5.0345 5.0345 5.3853 5.3853 5.5741 5.5741 5.6795 5.6795 5.8835 5.8835 6.5471 6.5471 6.7861 6.7861 7.8231 7.8231 8.8910 8.8910 10.5061 10.5061 11.6447 11.6447 12.0954 12.0954 13.1196 13.1196 k = 0.6295 0.1907-0.6688 ( 3828 PWs) bands (ev): -15.1153 -15.1153 -15.1106 -15.1106 -12.1659 -12.1659 -12.1485 -12.1485 -12.1233 -12.1233 -2.9390 -2.9390 -1.7455 -1.7455 -0.3964 -0.3964 3.7883 3.7883 4.8657 4.8657 5.0596 5.0596 5.3813 5.3813 5.5739 5.5739 5.6920 5.6920 5.8953 5.8953 6.5561 6.5561 6.8632 6.8632 7.7369 7.7369 8.9139 8.9139 10.5301 10.5301 11.6458 11.6458 12.1039 12.1039 13.1458 13.1458 k = 0.6257 0.1895-0.6464 ( 3824 PWs) bands (ev): -15.1152 -15.1152 -15.1107 -15.1107 -12.1656 -12.1656 -12.1486 -12.1486 -12.1236 -12.1236 -3.0086 -3.0086 -1.7481 -1.7481 -0.3351 -0.3351 3.8246 3.8246 4.8702 4.8702 5.0834 5.0834 5.3715 5.3715 5.5758 5.5758 5.7074 5.7074 5.9048 5.9048 6.5683 6.5683 6.9504 6.9504 7.6526 7.6526 8.9371 8.9371 10.5545 10.5545 11.6489 11.6489 12.1112 12.1112 13.1744 13.1744 k = 0.6219 0.1884-0.6240 ( 3834 PWs) bands (ev): -15.1152 -15.1152 -15.1107 -15.1107 -12.1652 -12.1652 -12.1487 -12.1487 -12.1239 -12.1239 -3.0776 -3.0776 -1.7564 -1.7564 -0.2686 -0.2686 3.8659 3.8659 4.8742 4.8742 5.1054 5.1054 5.3576 5.3576 5.5785 5.5785 5.7253 5.7253 5.9122 5.9122 6.5853 6.5853 7.0450 7.0450 7.5712 7.5712 8.9604 8.9604 10.5790 10.5790 11.6543 11.6543 12.1174 12.1174 13.2052 13.2052 k = 0.6181 0.1872-0.6016 ( 3832 PWs) bands (ev): -15.1152 -15.1152 -15.1108 -15.1108 -12.1648 -12.1648 -12.1488 -12.1488 -12.1242 -12.1242 -3.1458 -3.1458 -1.7697 -1.7697 -0.1978 -0.1978 3.9121 3.9121 4.8779 4.8779 5.1253 5.1253 5.3414 5.3414 5.5809 5.5809 5.7453 5.7453 5.9187 5.9187 6.6077 6.6077 7.1444 7.1444 7.4942 7.4942 8.9836 8.9836 10.6028 10.6028 11.6622 11.6622 12.1222 12.1222 13.2379 13.2379 k = 0.6143 0.1861-0.5792 ( 3829 PWs) bands (ev): -15.1152 -15.1152 -15.1108 -15.1108 -12.1644 -12.1644 -12.1489 -12.1489 -12.1246 -12.1246 -3.2130 -3.2130 -1.7872 -1.7872 -0.1238 -0.1238 3.9631 3.9631 4.8809 4.8809 5.1424 5.1424 5.3240 5.3240 5.5824 5.5824 5.7662 5.7662 5.9256 5.9256 6.6354 6.6354 7.2427 7.2427 7.4273 7.4273 9.0063 9.0063 10.6254 10.6254 11.6731 11.6731 12.1257 12.1257 13.2724 13.2724 k = 0.6104 0.1849-0.5568 ( 3830 PWs) bands (ev): -15.1153 -15.1153 -15.1109 -15.1109 -12.1640 -12.1640 -12.1490 -12.1490 -12.1250 -12.1250 -3.2790 -3.2790 -1.8083 -1.8083 -0.0472 -0.0472 4.0188 4.0188 4.8834 4.8834 5.1561 5.1561 5.3067 5.3067 5.5829 5.5829 5.7860 5.7860 5.9352 5.9352 6.6682 6.6682 7.2945 7.2945 7.4156 7.4156 9.0283 9.0283 10.6461 10.6461 11.6869 11.6869 12.1275 12.1275 13.3087 13.3087 k = 0.6066 0.1838-0.5344 ( 3833 PWs) bands (ev): -15.1153 -15.1153 -15.1109 -15.1109 -12.1636 -12.1636 -12.1491 -12.1491 -12.1253 -12.1253 -3.3435 -3.3435 -1.8322 -1.8322 0.0310 0.0310 4.0790 4.0790 4.8853 4.8853 5.1652 5.1652 5.2910 5.2910 5.5825 5.5825 5.8024 5.8024 5.9503 5.9503 6.7053 6.7053 7.2521 7.2521 7.5066 7.5066 9.0493 9.0493 10.6643 10.6643 11.7037 11.7037 12.1277 12.1277 13.3467 13.3467 k = 0.6028 0.1826-0.5120 ( 3831 PWs) bands (ev): -15.1153 -15.1153 -15.1110 -15.1110 -12.1632 -12.1632 -12.1492 -12.1492 -12.1257 -12.1257 -3.4065 -3.4065 -1.8584 -1.8584 0.1101 0.1101 4.1435 4.1435 4.8865 4.8865 5.1684 5.1684 5.2786 5.2786 5.5813 5.5813 5.8134 5.8134 5.9729 5.9729 6.7462 6.7462 7.1943 7.1943 7.6220 7.6220 9.0691 9.0691 10.6795 10.6795 11.7232 11.7232 12.1262 12.1262 13.3866 13.3866 k = 0.5990 0.1815-0.4896 ( 3828 PWs) bands (ev): -15.1153 -15.1153 -15.1110 -15.1110 -12.1628 -12.1628 -12.1493 -12.1493 -12.1261 -12.1261 -3.4678 -3.4678 -1.8864 -1.8864 0.1896 0.1896 4.2118 4.2118 4.8871 4.8871 5.1647 5.1647 5.2707 5.2707 5.5794 5.5794 5.8191 5.8191 6.0031 6.0031 6.7894 6.7894 7.1395 7.1395 7.7437 7.7437 9.0873 9.0873 10.6912 10.6912 11.7450 11.7450 12.1232 12.1232 13.4285 13.4285 k = 0.5952 0.1803-0.4672 ( 3828 PWs) bands (ev): -15.1154 -15.1154 -15.1111 -15.1111 -12.1624 -12.1624 -12.1494 -12.1494 -12.1265 -12.1265 -3.5274 -3.5274 -1.9157 -1.9157 0.2689 0.2689 4.2836 4.2836 4.8870 4.8870 5.1546 5.1546 5.2670 5.2670 5.5772 5.5772 5.8209 5.8209 6.0397 6.0397 6.8329 6.8329 7.0926 7.0926 7.8689 7.8689 9.1037 9.1037 10.6992 10.6992 11.7678 11.7678 12.1190 12.1190 13.4726 13.4726 k = 0.5914 0.1792-0.4448 ( 3824 PWs) bands (ev): -15.1154 -15.1154 -15.1111 -15.1111 -12.1621 -12.1621 -12.1495 -12.1495 -12.1269 -12.1269 -3.5851 -3.5851 -1.9458 -1.9458 0.3474 0.3474 4.3582 4.3582 4.8863 4.8863 5.1402 5.1402 5.2662 5.2662 5.5747 5.5747 5.8203 5.8203 6.0810 6.0810 6.8709 6.8709 7.0599 7.0599 7.9963 7.9963 9.1178 9.1178 10.7030 10.7030 11.7901 11.7901 12.1148 12.1148 13.5190 13.5190 k = 0.5876 0.1780-0.4224 ( 3823 PWs) bands (ev): -15.1155 -15.1155 -15.1111 -15.1111 -12.1617 -12.1617 -12.1496 -12.1496 -12.1273 -12.1273 -3.6408 -3.6408 -1.9765 -1.9765 0.4249 0.4249 4.4347 4.4347 4.8850 4.8850 5.1236 5.1236 5.2664 5.2664 5.5721 5.5721 5.8187 5.8187 6.1257 6.1257 6.8913 6.8913 7.0540 7.0540 8.1250 8.1250 9.1295 9.1295 10.7026 10.7026 11.8092 11.8092 12.1121 12.1121 13.5679 13.5679 k = 0.5838 0.1769-0.4000 ( 3823 PWs) bands (ev): -15.1155 -15.1155 -15.1111 -15.1111 -12.1614 -12.1614 -12.1496 -12.1496 -12.1277 -12.1277 -3.6946 -3.6946 -2.0075 -2.0075 0.5009 0.5009 4.5117 4.5117 4.8833 4.8833 5.1065 5.1065 5.2669 5.2669 5.5697 5.5697 5.8171 5.8171 6.1727 6.1727 6.8874 6.8874 7.0821 7.0821 8.2542 8.2542 9.1386 9.1386 10.6980 10.6980 11.8220 11.8220 12.1130 12.1130 13.6193 13.6193 k = 0.5800 0.1757-0.3776 ( 3822 PWs) bands (ev): -15.1156 -15.1156 -15.1111 -15.1111 -12.1611 -12.1611 -12.1496 -12.1496 -12.1281 -12.1281 -3.7462 -3.7462 -2.0384 -2.0384 0.5751 0.5751 4.5873 4.5873 4.8810 4.8810 5.0905 5.0905 5.2676 5.2676 5.5675 5.5675 5.8165 5.8165 6.2209 6.2209 6.8717 6.8717 7.1320 7.1320 8.3828 8.3828 9.1448 9.1448 10.6889 10.6889 11.8258 11.8258 12.1191 12.1191 13.6725 13.6725 k = 0.5762 0.1746-0.3552 ( 3822 PWs) bands (ev): -15.1157 -15.1157 -15.1111 -15.1111 -12.1608 -12.1608 -12.1496 -12.1496 -12.1284 -12.1284 -3.7958 -3.7958 -2.0691 -2.0691 0.6473 0.6473 4.6585 4.6585 4.8787 4.8787 5.0767 5.0767 5.2695 5.2695 5.5657 5.5657 5.8176 5.8176 6.2694 6.2694 6.8563 6.8563 7.1924 7.1924 8.5097 8.5097 9.1483 9.1483 10.6754 10.6754 11.8193 11.8193 12.1298 12.1298 13.7249 13.7249 k = 0.5724 0.1734-0.3328 ( 3821 PWs) bands (ev): -15.1158 -15.1158 -15.1111 -15.1111 -12.1606 -12.1606 -12.1495 -12.1495 -12.1288 -12.1288 -3.8431 -3.8431 -2.0993 -2.0993 0.7171 0.7171 4.7207 4.7207 4.8767 4.8767 5.0666 5.0666 5.2742 5.2742 5.5643 5.5643 5.8215 5.8215 6.3172 6.3172 6.8466 6.8466 7.2586 7.2586 8.6329 8.6329 9.1497 9.1497 10.6573 10.6573 11.8037 11.8037 12.1421 12.1421 13.7630 13.7630 k = 0.5686 0.1722-0.3104 ( 3824 PWs) bands (ev): -15.1159 -15.1159 -15.1111 -15.1111 -12.1604 -12.1604 -12.1495 -12.1495 -12.1291 -12.1291 -3.8882 -3.8882 -2.1289 -2.1289 0.7844 0.7844 4.7682 4.7682 4.8760 4.8760 5.0611 5.0611 5.2846 5.2846 5.5634 5.5634 5.8291 5.8291 6.3630 6.3630 6.8452 6.8452 7.3288 7.3288 8.7494 8.7494 9.1508 9.1508 10.6345 10.6345 11.7813 11.7813 12.1507 12.1507 13.7309 13.7309 k = 0.5647 0.1711-0.2880 ( 3828 PWs) bands (ev): -15.1159 -15.1159 -15.1111 -15.1111 -12.1602 -12.1602 -12.1494 -12.1494 -12.1295 -12.1295 -3.9311 -3.9311 -2.1576 -2.1576 0.8489 0.8489 4.7965 4.7965 4.8772 4.8772 5.0592 5.0592 5.3039 5.3039 5.5629 5.5629 5.8418 5.8418 6.4060 6.4060 6.8540 6.8540 7.4020 7.4020 8.8530 8.8530 9.1564 9.1564 10.6069 10.6069 11.7548 11.7548 12.1498 12.1498 13.6457 13.6457 k = 0.5609 0.1699-0.2656 ( 3829 PWs) bands (ev): -15.1160 -15.1160 -15.1111 -15.1111 -12.1601 -12.1601 -12.1492 -12.1492 -12.1298 -12.1298 -3.9717 -3.9717 -2.1853 -2.1853 0.9106 0.9106 4.8068 4.8068 4.8793 4.8793 5.0578 5.0578 5.3334 5.3334 5.5629 5.5629 5.8610 5.8610 6.4459 6.4459 6.8741 6.8741 7.4776 7.4776 8.9312 8.9312 9.1773 9.1773 10.5745 10.5745 11.7262 11.7262 12.1342 12.1342 13.5695 13.5695 k = 0.5571 0.1688-0.2432 ( 3828 PWs) bands (ev): -15.1161 -15.1161 -15.1111 -15.1111 -12.1600 -12.1600 -12.1491 -12.1491 -12.1301 -12.1301 -4.0099 -4.0099 -2.2120 -2.2120 0.9692 0.9692 4.8059 4.8059 4.8795 4.8795 5.0532 5.0532 5.3707 5.3707 5.5633 5.5633 5.8880 5.8880 6.4831 6.4831 6.9056 6.9056 7.5553 7.5553 8.9693 8.9693 9.2264 9.2264 10.5372 10.5372 11.6971 11.6971 12.1008 12.1008 13.5188 13.5188 k = 0.5533 0.1676-0.2208 ( 3826 PWs) bands (ev): -15.1162 -15.1162 -15.1110 -15.1110 -12.1600 -12.1600 -12.1489 -12.1489 -12.1304 -12.1304 -4.0458 -4.0458 -2.2373 -2.2373 1.0246 1.0246 4.7991 4.7991 4.8772 4.8772 5.0443 5.0443 5.4100 5.4100 5.5641 5.5641 5.9234 5.9234 6.5196 6.5196 6.9478 6.9478 7.6346 7.6346 8.9720 8.9720 9.2969 9.2969 10.4953 10.4953 11.6677 11.6677 12.0505 12.0505 13.4979 13.4979 k = 0.5495 0.1665-0.1984 ( 3827 PWs) bands (ev): -15.1163 -15.1163 -15.1110 -15.1110 -12.1600 -12.1600 -12.1487 -12.1487 -12.1306 -12.1306 -4.0793 -4.0793 -2.2614 -2.2614 1.0768 1.0768 4.7892 4.7892 4.8734 4.8734 5.0317 5.0317 5.4464 5.4464 5.5653 5.5653 5.9663 5.9663 6.5581 6.5581 6.9994 6.9994 7.7151 7.7151 8.9546 8.9546 9.3705 9.3705 10.4498 10.4498 11.6365 11.6365 11.9896 11.9896 13.5058 13.5058 k = 0.5457 0.1653-0.1760 ( 3831 PWs) bands (ev): -15.1164 -15.1164 -15.1110 -15.1110 -12.1600 -12.1600 -12.1485 -12.1485 -12.1309 -12.1309 -4.1104 -4.1104 -2.2840 -2.2840 1.1255 1.1255 4.7776 4.7776 4.8687 4.8687 5.0166 5.0166 5.4768 5.4768 5.5668 5.5668 6.0138 6.0138 6.6021 6.6021 7.0589 7.0589 7.7965 7.7965 8.9264 8.9264 9.4352 9.4352 10.4016 10.4016 11.6000 11.6000 11.9289 11.9289 13.5385 13.5385 k = 0.5419 0.1642-0.1536 ( 3831 PWs) bands (ev): -15.1165 -15.1165 -15.1109 -15.1109 -12.1601 -12.1601 -12.1483 -12.1483 -12.1311 -12.1311 -4.1390 -4.1390 -2.3051 -2.3051 1.1708 1.1708 4.7652 4.7652 4.8637 4.8637 5.0001 5.0001 5.5007 5.5007 5.5688 5.5688 6.0618 6.0618 6.6544 6.6544 7.1249 7.1249 7.8780 7.8780 8.8914 8.8914 9.4835 9.4835 10.3523 10.3523 11.5534 11.5534 11.8807 11.8807 13.5908 13.5908 k = 0.5381 0.1630-0.1312 ( 3835 PWs) bands (ev): -15.1166 -15.1166 -15.1109 -15.1109 -12.1601 -12.1601 -12.1480 -12.1480 -12.1313 -12.1313 -4.1653 -4.1653 -2.3246 -2.3246 1.2125 1.2125 4.7526 4.7526 4.8585 4.8585 4.9833 4.9833 5.5185 5.5185 5.5712 5.5712 6.1061 6.1061 6.7172 6.7172 7.1964 7.1964 7.9591 7.9591 8.8520 8.8520 9.5100 9.5100 10.3032 10.3032 11.4959 11.4959 11.8533 11.8533 13.6574 13.6574 k = 0.5343 0.1619-0.1088 ( 3829 PWs) bands (ev): -15.1167 -15.1167 -15.1109 -15.1109 -12.1602 -12.1602 -12.1478 -12.1478 -12.1315 -12.1315 -4.1890 -4.1890 -2.3424 -2.3424 1.2505 1.2505 4.7403 4.7403 4.8534 4.8534 4.9669 4.9669 5.5313 5.5313 5.5741 5.5741 6.1441 6.1441 6.7903 6.7903 7.2728 7.2728 8.0389 8.0389 8.8099 8.8099 9.5115 9.5115 10.2550 10.2550 11.4334 11.4334 11.8467 11.8467 13.7325 13.7325 k = 0.5305 0.1607-0.0864 ( 3833 PWs) bands (ev): -15.1168 -15.1168 -15.1108 -15.1108 -12.1603 -12.1603 -12.1476 -12.1476 -12.1317 -12.1317 -4.2104 -4.2104 -2.3585 -2.3585 1.2847 1.2847 4.7285 4.7285 4.8482 4.8482 4.9514 4.9514 5.5403 5.5403 5.5773 5.5773 6.1746 6.1746 6.8716 6.8716 7.3537 7.3537 8.1160 8.1160 8.7669 8.7669 9.4874 9.4874 10.2068 10.2068 11.3741 11.3741 11.8567 11.8567 13.8074 13.8074 k = 0.5267 0.1596-0.0640 ( 3835 PWs) bands (ev): -15.1168 -15.1168 -15.1108 -15.1108 -12.1603 -12.1603 -12.1475 -12.1475 -12.1318 -12.1318 -4.2292 -4.2292 -2.3728 -2.3728 1.3151 1.3151 4.7176 4.7176 4.8431 4.8431 4.9373 4.9373 5.5465 5.5465 5.5807 5.5807 6.1984 6.1984 6.9574 6.9574 7.4386 7.4386 8.1886 8.1886 8.7251 8.7251 9.4402 9.4402 10.1571 10.1571 11.3243 11.3243 11.8788 11.8788 13.8662 13.8662 k = 0.5229 0.1584-0.0416 ( 3831 PWs) bands (ev): -15.1169 -15.1169 -15.1108 -15.1108 -12.1604 -12.1604 -12.1473 -12.1473 -12.1319 -12.1319 -4.2455 -4.2455 -2.3853 -2.3853 1.3417 1.3417 4.7077 4.7077 4.8382 4.8382 4.9250 4.9250 5.5507 5.5507 5.5840 5.5840 6.2163 6.2163 7.0436 7.0436 7.5270 7.5270 8.2539 8.2539 8.6874 8.6874 9.3746 9.3746 10.1046 10.1046 11.2866 11.2866 11.9091 11.9091 13.8858 13.8858 k = 0.5190 0.1572-0.0192 ( 3829 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1605 -12.1605 -12.1471 -12.1471 -12.1321 -12.1321 -4.2593 -4.2593 -2.3960 -2.3960 1.3642 1.3642 4.6990 4.6990 4.8335 4.8335 4.9147 4.9147 5.5536 5.5536 5.5869 5.5869 6.2297 6.2297 7.1256 7.1256 7.6176 7.6176 8.3078 8.3078 8.6578 8.6578 9.2965 9.2965 10.0502 10.0502 11.2608 11.2608 11.9441 11.9441 13.8641 13.8641 k = 0.5152 0.1561 0.0032 ( 3825 PWs) bands (ev): -15.1170 -15.1170 -15.1108 -15.1108 -12.1605 -12.1605 -12.1470 -12.1470 -12.1321 -12.1321 -4.2707 -4.2707 -2.4047 -2.4047 1.3828 1.3828 4.6916 4.6916 4.8292 4.8292 4.9065 4.9065 5.5556 5.5556 5.5894 5.5894 6.2395 6.2395 7.1993 7.1993 7.7076 7.7076 8.3456 8.3456 8.6409 8.6409 9.2126 9.2126 9.9964 9.9964 11.2447 11.2447 11.9801 11.9801 13.8234 13.8234 k = 0.5114 0.1549 0.0256 ( 3820 PWs) bands (ev): -15.1170 -15.1170 -15.1107 -15.1107 -12.1606 -12.1606 -12.1469 -12.1469 -12.1322 -12.1322 -4.2795 -4.2795 -2.4115 -2.4115 1.3972 1.3972 4.6858 4.6858 4.8255 4.8255 4.9003 4.9003 5.5570 5.5570 5.5913 5.5913 6.2465 6.2465 7.2613 7.2613 7.7923 7.7923 8.3653 8.3653 8.6382 8.6382 9.1308 9.1308 9.9473 9.9473 11.2356 11.2356 12.0135 12.0135 13.7808 13.7808 k = 0.5076 0.1538 0.0480 ( 3814 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1606 -12.1606 -12.1468 -12.1468 -12.1323 -12.1323 -4.2858 -4.2858 -2.4164 -2.4164 1.4076 1.4076 4.6815 4.6815 4.8227 4.8227 4.8959 4.8959 5.5579 5.5579 5.5927 5.5927 6.2511 6.2511 7.3082 7.3082 7.8641 7.8641 8.3713 8.3713 8.6445 8.6445 9.0605 9.0605 9.9076 9.9076 11.2309 11.2309 12.0407 12.0407 13.7452 13.7452 k = 0.5038 0.1526 0.0704 ( 3812 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2896 -4.2896 -2.4194 -2.4194 1.4138 1.4138 4.6790 4.6790 4.8209 4.8209 4.8933 4.8933 5.5584 5.5584 5.5936 5.5936 6.2537 6.2537 7.3377 7.3377 7.9134 7.9134 8.3717 8.3717 8.6514 8.6514 9.0124 9.0124 9.8816 9.8816 11.2289 11.2289 12.0586 12.0586 13.7218 13.7218 k = 0.5000 0.1515 0.0928 ( 3808 PWs) bands (ev): -15.1171 -15.1171 -15.1107 -15.1107 -12.1607 -12.1607 -12.1468 -12.1468 -12.1323 -12.1323 -4.2908 -4.2908 -2.4204 -2.4204 1.4159 1.4159 4.6781 4.6781 4.8203 4.8203 4.8925 4.8925 5.5586 5.5586 5.5938 5.5938 6.2546 6.2546 7.3477 7.3477 7.9311 7.9311 8.3714 8.3714 8.6540 8.6540 8.9952 8.9952 9.8725 9.8725 11.2283 11.2283 12.0648 12.0648 13.7137 13.7137 k = 0.5000-0.7495-0.4592 ( 3822 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4605 -2.4605 -1.9415 -1.9415 -0.5384 -0.5384 3.5845 3.5845 4.3424 4.3424 4.6825 4.6825 5.5046 5.5046 5.6732 5.6732 6.0052 6.0052 6.3435 6.3435 6.5929 6.5929 7.0359 7.0359 7.4750 7.4750 7.8882 7.8882 9.4789 9.4789 12.7824 12.7824 13.7255 13.7255 13.7348 13.7348 k = 0.5195-0.7400-0.4534 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4605 -2.4605 -1.9412 -1.9412 -0.5391 -0.5391 3.5851 3.5851 4.3446 4.3446 4.6833 4.6833 5.5042 5.5042 5.6730 5.6730 6.0020 6.0020 6.3363 6.3363 6.5913 6.5913 7.0421 7.0421 7.4813 7.4813 7.8859 7.8859 9.4855 9.4855 12.7743 12.7743 13.6983 13.6983 13.7428 13.7428 k = 0.5390-0.7305-0.4476 ( 3814 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4607 -2.4607 -1.9405 -1.9405 -0.5411 -0.5411 3.5870 3.5870 4.3514 4.3514 4.6855 4.6855 5.5028 5.5028 5.6724 5.6724 5.9924 5.9924 6.3169 6.3169 6.5847 6.5847 7.0615 7.0615 7.4980 7.4980 7.8804 7.8804 9.5052 9.5052 12.7502 12.7502 13.6477 13.6477 13.7369 13.7369 k = 0.5586-0.7211-0.4418 ( 3812 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4609 -2.4609 -1.9393 -1.9393 -0.5445 -0.5445 3.5901 3.5901 4.3627 4.3627 4.6893 4.6893 5.5003 5.5003 5.6715 5.6715 5.9765 5.9765 6.2901 6.2901 6.5700 6.5700 7.0949 7.0949 7.5189 7.5189 7.8765 7.8765 9.5369 9.5369 12.7111 12.7111 13.5783 13.5783 13.7158 13.7158 k = 0.5781-0.7116-0.4360 ( 3811 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1676 -12.1676 -12.1481 -12.1481 -12.1218 -12.1218 -2.4613 -2.4613 -1.9376 -1.9376 -0.5491 -0.5491 3.5942 3.5942 4.3785 4.3785 4.6945 4.6945 5.4967 5.4967 5.6701 5.6701 5.9549 5.9549 6.2598 6.2598 6.5466 6.5466 7.1407 7.1407 7.5349 7.5349 7.8821 7.8821 9.5795 9.5795 12.6584 12.6584 13.4924 13.4924 13.6823 13.6823 k = 0.5976-0.7021-0.4302 ( 3811 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4618 -2.4618 -1.9356 -1.9356 -0.5547 -0.5547 3.5992 3.5992 4.3988 4.3988 4.7010 4.7010 5.4917 5.4917 5.6681 5.6681 5.9285 5.9285 6.2279 6.2279 6.5171 6.5171 7.1942 7.1942 7.5393 7.5393 7.9051 7.9051 9.6316 9.6316 12.5939 12.5939 13.3926 13.3926 13.6391 13.6391 k = 0.6171-0.6927-0.4244 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4625 -2.4625 -1.9332 -1.9332 -0.5612 -0.5612 3.6050 3.6050 4.4236 4.4236 4.7089 4.7089 5.4848 5.4848 5.6655 5.6655 5.8991 5.8991 6.1947 6.1947 6.4850 6.4850 7.2462 7.2462 7.5348 7.5348 7.9481 7.9481 9.6915 9.6915 12.5194 12.5194 13.2817 13.2817 13.5889 13.5889 k = 0.6366-0.6832-0.4186 ( 3816 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4634 -2.4634 -1.9304 -1.9304 -0.5684 -0.5684 3.6113 3.6113 4.4527 4.4527 4.7181 4.7181 5.4759 5.4759 5.6621 5.6621 5.8686 5.8686 6.1592 6.1592 6.4536 6.4536 7.2797 7.2797 7.5393 7.5393 8.0078 8.0078 9.7579 9.7579 12.4370 12.4370 13.1625 13.1625 13.5340 13.5340 k = 0.6561-0.6737-0.4128 ( 3818 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4646 -2.4646 -1.9273 -1.9273 -0.5760 -0.5760 3.6179 3.6179 4.4861 4.4861 4.7284 4.7284 5.4642 5.4642 5.6579 5.6579 5.8393 5.8393 6.1205 6.1205 6.4255 6.4255 7.2755 7.2755 7.5751 7.5751 8.0792 8.0792 9.8293 9.8293 12.3483 12.3483 13.0372 13.0372 13.4765 13.4765 k = 0.6757-0.6643-0.4070 ( 3820 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4661 -2.4661 -1.9241 -1.9241 -0.5838 -0.5838 3.6248 3.6248 4.5235 4.5235 4.7398 4.7398 5.4494 5.4494 5.6528 5.6528 5.8127 5.8127 6.0780 6.0780 6.4022 6.4022 7.2365 7.2365 7.6418 7.6418 8.1584 8.1584 9.9045 9.9045 12.2555 12.2555 12.9079 12.9079 13.4177 13.4177 k = 0.6952-0.6548-0.4012 ( 3824 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4679 -2.4679 -1.9206 -1.9206 -0.5915 -0.5915 3.6319 3.6319 4.5646 4.5646 4.7520 4.7520 5.4311 5.4311 5.6469 5.6469 5.7902 5.7902 6.0318 6.0318 6.3840 6.3840 7.1778 7.1778 7.7262 7.7262 8.2429 8.2429 9.9821 9.9821 12.1603 12.1603 12.7764 12.7764 13.3589 13.3589 k = 0.7147-0.6453-0.3954 ( 3818 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1218 -12.1218 -2.4701 -2.4701 -1.9170 -1.9170 -0.5990 -0.5990 3.6390 3.6390 4.6091 4.6091 4.7651 4.7651 5.4093 5.4093 5.6409 5.6409 5.7718 5.7718 5.9831 5.9831 6.3708 6.3708 7.1089 7.1089 7.8198 7.8198 8.3307 8.3307 10.0608 10.0608 12.0646 12.0646 12.6444 12.6444 13.3010 13.3010 k = 0.7342-0.6359-0.3896 ( 3815 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1219 -12.1219 -2.4728 -2.4728 -1.9132 -1.9132 -0.6058 -0.6058 3.6460 3.6460 4.6565 4.6565 4.7787 4.7787 5.3843 5.3843 5.6351 5.6351 5.7569 5.7569 5.9331 5.9331 6.3618 6.3618 7.0347 7.0347 7.9188 7.9188 8.4207 8.4207 10.1390 10.1390 11.9704 11.9704 12.5131 12.5131 13.2445 13.2445 k = 0.7537-0.6264-0.3838 ( 3809 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1219 -12.1219 -2.4761 -2.4761 -1.9094 -1.9094 -0.6119 -0.6119 3.6531 3.6531 4.7062 4.7062 4.7929 4.7929 5.3568 5.3568 5.6299 5.6299 5.7434 5.7434 5.8840 5.8840 6.3565 6.3565 6.9579 6.9579 8.0208 8.0208 8.5118 8.5118 10.2148 10.2148 11.8798 11.8798 12.3840 12.3840 13.1898 13.1898 k = 0.7733-0.6169-0.3780 ( 3805 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1219 -12.1219 -2.4800 -2.4800 -1.9055 -1.9055 -0.6170 -0.6170 3.6601 3.6601 4.7572 4.7572 4.8077 4.8077 5.3279 5.3279 5.6255 5.6255 5.7277 5.7277 5.8397 5.8397 6.3543 6.3543 6.8803 6.8803 8.1246 8.1246 8.6030 8.6030 10.2860 10.2860 11.7954 11.7954 12.2584 12.2584 13.1371 13.1371 k = 0.7928-0.6075-0.3722 ( 3808 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1675 -12.1675 -12.1481 -12.1481 -12.1219 -12.1219 -2.4846 -2.4846 -1.9016 -1.9016 -0.6209 -0.6209 3.6670 3.6670 4.8040 4.8040 4.8275 4.8275 5.2985 5.2985 5.6212 5.6212 5.7038 5.7038 5.8066 5.8066 6.3547 6.3547 6.8038 6.8038 8.2288 8.2288 8.6936 8.6936 10.3499 10.3499 11.7197 11.7197 12.1381 12.1381 13.0863 13.0863 k = 0.8123-0.5980-0.3664 ( 3813 PWs) bands (ev): -15.1153 -15.1153 -15.1103 -15.1103 -12.1674 -12.1674 -12.1481 -12.1481 -12.1219 -12.1219 -2.4899 -2.4899 -1.8976 -1.8976 -0.6235 -0.6235 3.6740 3.6740 4.8275 4.8275 4.8707 4.8707 5.2695 5.2695 5.6146 5.6146 5.6703 5.6703 5.7883 5.7883 6.3573 6.3573 6.7299 6.7299 8.3321 8.3321 8.7827 8.7827 10.4033 10.4033 11.6553 11.6553 12.0253 12.0253 13.0373 13.0373 Writing output data file AgBiTe2.save init_run : 0.65s CPU 0.81s WALL ( 1 calls) electrons : 159.59s CPU 161.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 159.58s CPU 161.30s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.15s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 292 calls) cegterg : 144.59s CPU 145.83s WALL ( 355 calls) Called by sum_band: Called by *egterg: h_psi : 110.58s CPU 111.46s WALL ( 5902 calls) s_psi : 3.35s CPU 3.68s WALL ( 5902 calls) g_psi : 0.19s CPU 0.15s WALL ( 5255 calls) cdiaghg : 32.38s CPU 32.83s WALL ( 5547 calls) cegterg:over : 3.74s CPU 3.79s WALL ( 5255 calls) cegterg:upda : 3.41s CPU 3.42s WALL ( 5255 calls) cegterg:last : 1.67s CPU 1.60s WALL ( 939 calls) cdiaghg:chol : 2.02s CPU 1.90s WALL ( 5547 calls) cdiaghg:inve : 1.29s CPU 1.18s WALL ( 5547 calls) cdiaghg:para : 1.69s CPU 1.86s WALL ( 11094 calls) Called by h_psi: h_psi:vloc : 101.89s CPU 102.97s WALL ( 5902 calls) h_psi:vnl : 8.57s CPU 8.35s WALL ( 5902 calls) add_vuspsi : 4.38s CPU 4.24s WALL ( 5902 calls) General routines calbec : 4.18s CPU 4.09s WALL ( 5902 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.29s CPU 91.37s WALL ( 561464 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.18s WALL ( 584 calls) Parallel routines fft_scatter : 24.49s CPU 24.59s WALL ( 561487 calls) PWSCF : 2m53.47s CPU 3m 9.72s WALL This run was terminated on: 18:24:25 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=