Program PWSCF v.5.1.1 starts on 20Jun2015 at 17:26:20 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./ZrCl2.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 24 7 665 374 62 Max 36 25 8 667 386 65 Sum 1685 1153 347 31965 18221 3023 bravais-lattice index = 14 lattice parameter (alat) = 12.7531 a.u. unit-cell volume = 431.8241 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 268.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.753094 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.874431 celldm(5)= 0.874431 celldm(6)= 0.874431 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.874431 0.485151 0.000000 ) a(3) = ( 0.874431 0.226325 0.429125 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.802390 -1.087107 ) b(2) = ( 0.000000 2.061216 -1.087107 ) b(3) = ( 0.000000 0.000000 2.330325 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 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 Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Zr 12.00 91.22400 Zr( 1.00) Cl 7.00 35.45300 Cl( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 355 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0090909 -0.0163854 -0.0098828), wk = 0.0028169 k( 3) = ( 0.0181818 -0.0327707 -0.0197656), wk = 0.0028169 k( 4) = ( 0.0272727 -0.0491561 -0.0296484), wk = 0.0028169 k( 5) = ( 0.0363636 -0.0655415 -0.0395312), wk = 0.0028169 k( 6) = ( 0.0454546 -0.0819268 -0.0494140), wk = 0.0028169 k( 7) = ( 0.0545455 -0.0983122 -0.0592968), wk = 0.0028169 k( 8) = ( 0.0636364 -0.1146975 -0.0691795), wk = 0.0028169 k( 9) = ( 0.0727273 -0.1310829 -0.0790623), wk = 0.0028169 k( 10) = ( 0.0818182 -0.1474683 -0.0889451), wk = 0.0028169 k( 11) = ( 0.0909091 -0.1638536 -0.0988279), wk = 0.0028169 k( 12) = ( 0.1000000 -0.1802390 -0.1087107), wk = 0.0028169 k( 13) = ( 0.1090909 -0.1966244 -0.1185935), wk = 0.0028169 k( 14) = ( 0.1181818 -0.2130097 -0.1284763), wk = 0.0028169 k( 15) = ( 0.1272727 -0.2293951 -0.1383591), wk = 0.0028169 k( 16) = ( 0.1363636 -0.2457805 -0.1482419), wk = 0.0028169 k( 17) = ( 0.1454545 -0.2621658 -0.1581247), wk = 0.0028169 k( 18) = ( 0.1545455 -0.2785512 -0.1680075), wk = 0.0028169 k( 19) = ( 0.1636364 -0.2949366 -0.1778903), wk = 0.0028169 k( 20) = ( 0.1727273 -0.3113219 -0.1877731), wk = 0.0028169 k( 21) = ( 0.1818182 -0.3277073 -0.1976559), wk = 0.0028169 k( 22) = ( 0.1909091 -0.3440927 -0.2075387), wk = 0.0028169 k( 23) = ( 0.2000000 -0.3604780 -0.2174215), wk = 0.0028169 k( 24) = ( 0.2090909 -0.3768634 -0.2273042), wk = 0.0028169 k( 25) = ( 0.2181818 -0.3932488 -0.2371870), wk = 0.0028169 k( 26) = ( 0.2272727 -0.4096341 -0.2470698), wk = 0.0028169 k( 27) = ( 0.2363636 -0.4260195 -0.2569526), wk = 0.0028169 k( 28) = ( 0.2454545 -0.4424049 -0.2668354), wk = 0.0028169 k( 29) = ( 0.2545455 -0.4587902 -0.2767182), wk = 0.0028169 k( 30) = ( 0.2636364 -0.4751756 -0.2866010), wk = 0.0028169 k( 31) = ( 0.2727273 -0.4915609 -0.2964838), wk = 0.0028169 k( 32) = ( 0.2818182 -0.5079463 -0.3063666), wk = 0.0028169 k( 33) = ( 0.2909091 -0.5243317 -0.3162494), wk = 0.0028169 k( 34) = ( 0.3000000 -0.5407170 -0.3261322), wk = 0.0028169 k( 35) = ( 0.3090909 -0.5571024 -0.3360150), wk = 0.0028169 k( 36) = ( 0.3181818 -0.5734878 -0.3458978), wk = 0.0028169 k( 37) = ( 0.3272727 -0.5898731 -0.3557806), wk = 0.0028169 k( 38) = ( 0.3363636 -0.6062585 -0.3656634), wk = 0.0028169 k( 39) = ( 0.3454546 -0.6226439 -0.3755461), wk = 0.0028169 k( 40) = ( 0.3545454 -0.6390292 -0.3854289), wk = 0.0028169 k( 41) = ( 0.3636364 -0.6554146 -0.3953117), wk = 0.0028169 k( 42) = ( 0.3727273 -0.6718000 -0.4051945), wk = 0.0028169 k( 43) = ( 0.3818182 -0.6881853 -0.4150773), wk = 0.0028169 k( 44) = ( 0.3909091 -0.7045707 -0.4249601), wk = 0.0028169 k( 45) = ( 0.4000000 -0.7209561 -0.4348429), wk = 0.0028169 k( 46) = ( 0.4090909 -0.7373414 -0.4447257), wk = 0.0028169 k( 47) = ( 0.4181818 -0.7537268 -0.4546085), wk = 0.0028169 k( 48) = ( 0.4272727 -0.7701122 -0.4644913), wk = 0.0028169 k( 49) = ( 0.4363636 -0.7864975 -0.4743741), wk = 0.0028169 k( 50) = ( 0.4454546 -0.8028829 -0.4842569), wk = 0.0028169 k( 51) = ( 0.4545455 -0.8192682 -0.4941397), wk = 0.0028169 k( 52) = ( 0.4636364 -0.8356536 -0.5040225), wk = 0.0028169 k( 53) = ( 0.4727273 -0.8520390 -0.5139052), wk = 0.0028169 k( 54) = ( 0.4818182 -0.8684243 -0.5237880), wk = 0.0028169 k( 55) = ( 0.4909091 -0.8848097 -0.5336708), wk = 0.0028169 k( 56) = ( 0.5000000 -0.9011951 -0.5435536), wk = 0.0028169 k( 57) = ( 0.5000000 -0.9011951 -0.5435536), wk = 0.0028169 k( 58) = ( 0.5000000 -0.8901680 -0.5618362), wk = 0.0028169 k( 59) = ( 0.5000000 -0.8791408 -0.5801188), wk = 0.0028169 k( 60) = ( 0.5000000 -0.8681137 -0.5984015), wk = 0.0028169 k( 61) = ( 0.5000000 -0.8570866 -0.6166841), wk = 0.0028169 k( 62) = ( 0.5000000 -0.8460595 -0.6349666), wk = 0.0028169 k( 63) = ( 0.5000000 -0.8350324 -0.6532493), wk = 0.0028169 k( 64) = ( 0.5000000 -0.8240053 -0.6715319), wk = 0.0028169 k( 65) = ( 0.5000000 -0.8129782 -0.6898145), wk = 0.0028169 k( 66) = ( 0.5000000 -0.8019511 -0.7080971), wk = 0.0028169 k( 67) = ( 0.5000000 -0.7909240 -0.7263797), wk = 0.0028169 k( 68) = ( 0.5000000 -0.7798969 -0.7446623), wk = 0.0028169 k( 69) = ( 0.5000000 -0.7688697 -0.7629449), wk = 0.0028169 k( 70) = ( 0.5000000 -0.7578426 -0.7812275), wk = 0.0028169 k( 71) = ( 0.5000000 -0.7468155 -0.7995101), wk = 0.0028169 k( 72) = ( 0.5000000 -0.7357884 -0.8177927), wk = 0.0028169 k( 73) = ( 0.5000000 -0.7247613 -0.8360753), wk = 0.0028169 k( 74) = ( 0.5000000 -0.7137342 -0.8543579), wk = 0.0028169 k( 75) = ( 0.5000000 -0.7027071 -0.8726406), wk = 0.0028169 k( 76) = ( 0.5000000 -0.6916800 -0.8909232), wk = 0.0028169 k( 77) = ( 0.5000000 -0.6806529 -0.9092058), wk = 0.0028169 k( 78) = ( 0.5000000 -0.6696258 -0.9274884), wk = 0.0028169 k( 79) = ( 0.5000000 -0.6585986 -0.9457710), wk = 0.0028169 k( 80) = ( 0.5000000 -0.6475715 -0.9640536), wk = 0.0028169 k( 81) = ( 0.5000000 -0.6365444 -0.9823362), wk = 0.0028169 k( 82) = ( 0.5000000 -0.6255173 -1.0006188), wk = 0.0028169 k( 83) = ( 0.5000000 -0.6144902 -1.0189014), wk = 0.0028169 k( 84) = ( 0.5000000 -0.6034631 -1.0371840), wk = 0.0028169 k( 85) = ( 0.5000000 -0.5924360 -1.0554666), wk = 0.0028169 k( 86) = ( 0.5000000 -0.5814089 -1.0737492), wk = 0.0028169 k( 87) = ( 0.5000000 -0.5703818 -1.0920318), wk = 0.0028169 k( 88) = ( 0.5000000 -0.5593546 -1.1103145), wk = 0.0028169 k( 89) = ( 0.5000000 -0.5483276 -1.1285970), wk = 0.0028169 k( 90) = ( 0.5000000 -0.5373004 -1.1468796), wk = 0.0028169 k( 91) = ( 0.5000000 -0.5262733 -1.1651623), wk = 0.0028169 k( 92) = ( 0.8181065 -0.4439392 -1.0090523), wk = 0.0028169 k( 93) = ( 0.8128047 -0.4343834 -0.9909338), wk = 0.0028169 k( 94) = ( 0.8075030 -0.4248275 -0.9728153), wk = 0.0028169 k( 95) = ( 0.8022012 -0.4152716 -0.9546969), wk = 0.0028169 k( 96) = ( 0.7968994 -0.4057158 -0.9365784), wk = 0.0028169 k( 97) = ( 0.7915976 -0.3961599 -0.9184600), wk = 0.0028169 k( 98) = ( 0.7862959 -0.3866040 -0.9003415), wk = 0.0028169 k( 99) = ( 0.7809941 -0.3770482 -0.8822231), wk = 0.0028169 k( 100) = ( 0.7756923 -0.3674923 -0.8641046), wk = 0.0028169 k( 101) = ( 0.7703905 -0.3579364 -0.8459861), wk = 0.0028169 k( 102) = ( 0.7650887 -0.3483806 -0.8278677), wk = 0.0028169 k( 103) = ( 0.7597870 -0.3388247 -0.8097492), wk = 0.0028169 k( 104) = ( 0.7544852 -0.3292688 -0.7916308), wk = 0.0028169 k( 105) = ( 0.7491834 -0.3197130 -0.7735123), wk = 0.0028169 k( 106) = ( 0.7438816 -0.3101571 -0.7553939), wk = 0.0028169 k( 107) = ( 0.7385799 -0.3006012 -0.7372754), wk = 0.0028169 k( 108) = ( 0.7332781 -0.2910454 -0.7191570), wk = 0.0028169 k( 109) = ( 0.7279763 -0.2814895 -0.7010385), wk = 0.0028169 k( 110) = ( 0.7226746 -0.2719336 -0.6829201), wk = 0.0028169 k( 111) = ( 0.7173728 -0.2623778 -0.6648016), wk = 0.0028169 k( 112) = ( 0.7120710 -0.2528219 -0.6466832), wk = 0.0028169 k( 113) = ( 0.7067692 -0.2432660 -0.6285647), wk = 0.0028169 k( 114) = ( 0.7014674 -0.2337102 -0.6104463), wk = 0.0028169 k( 115) = ( 0.6961657 -0.2241543 -0.5923278), wk = 0.0028169 k( 116) = ( 0.6908639 -0.2145984 -0.5742093), wk = 0.0028169 k( 117) = ( 0.6855621 -0.2050425 -0.5560909), wk = 0.0028169 k( 118) = ( 0.6802603 -0.1954867 -0.5379724), wk = 0.0028169 k( 119) = ( 0.6749586 -0.1859308 -0.5198540), wk = 0.0028169 k( 120) = ( 0.6696568 -0.1763750 -0.5017355), wk = 0.0028169 k( 121) = ( 0.6643550 -0.1668191 -0.4836171), wk = 0.0028169 k( 122) = ( 0.6590533 -0.1572632 -0.4654986), wk = 0.0028169 k( 123) = ( 0.6537515 -0.1477073 -0.4473802), wk = 0.0028169 k( 124) = ( 0.6484497 -0.1381515 -0.4292617), wk = 0.0028169 k( 125) = ( 0.6431479 -0.1285956 -0.4111432), wk = 0.0028169 k( 126) = ( 0.6378462 -0.1190398 -0.3930248), wk = 0.0028169 k( 127) = ( 0.6325444 -0.1094839 -0.3749063), wk = 0.0028169 k( 128) = ( 0.6272426 -0.0999280 -0.3567879), wk = 0.0028169 k( 129) = ( 0.6219408 -0.0903721 -0.3386694), wk = 0.0028169 k( 130) = ( 0.6166390 -0.0808163 -0.3205510), wk = 0.0028169 k( 131) = ( 0.6113373 -0.0712604 -0.3024325), wk = 0.0028169 k( 132) = ( 0.6060355 -0.0617046 -0.2843141), wk = 0.0028169 k( 133) = ( 0.6007337 -0.0521487 -0.2661956), wk = 0.0028169 k( 134) = ( 0.5954320 -0.0425928 -0.2480772), wk = 0.0028169 k( 135) = ( 0.5901302 -0.0330369 -0.2299587), wk = 0.0028169 k( 136) = ( 0.5848284 -0.0234811 -0.2118403), wk = 0.0028169 k( 137) = ( 0.5795266 -0.0139252 -0.1937218), wk = 0.0028169 k( 138) = ( 0.5742249 -0.0043694 -0.1756034), wk = 0.0028169 k( 139) = ( 0.5689231 0.0051865 -0.1574849), wk = 0.0028169 k( 140) = ( 0.5636213 0.0147424 -0.1393664), wk = 0.0028169 k( 141) = ( 0.5583195 0.0242983 -0.1212480), wk = 0.0028169 k( 142) = ( 0.5530177 0.0338541 -0.1031295), wk = 0.0028169 k( 143) = ( 0.5477160 0.0434100 -0.0850111), wk = 0.0028169 k( 144) = ( 0.5424142 0.0529659 -0.0668926), wk = 0.0028169 k( 145) = ( 0.5371124 0.0625217 -0.0487742), wk = 0.0028169 k( 146) = ( 0.5318107 0.0720776 -0.0306557), wk = 0.0028169 k( 147) = ( 0.5265089 0.0816335 -0.0125372), wk = 0.0028169 k( 148) = ( 0.5212071 0.0911893 0.0055812), wk = 0.0028169 k( 149) = ( 0.5159053 0.1007452 0.0236997), wk = 0.0028169 k( 150) = ( 0.5106036 0.1103011 0.0418181), wk = 0.0028169 k( 151) = ( 0.5053018 0.1198569 0.0599366), wk = 0.0028169 k( 152) = ( 0.5000000 0.1294128 0.0780550), wk = 0.0028169 k( 153) = ( 0.5000000 0.1294128 0.0780550), wk = 0.0028169 k( 154) = ( 0.4800000 0.1242363 0.0749328), wk = 0.0028169 k( 155) = ( 0.4600000 0.1190598 0.0718106), wk = 0.0028169 k( 156) = ( 0.4400000 0.1138833 0.0686884), wk = 0.0028169 k( 157) = ( 0.4200000 0.1087067 0.0655662), wk = 0.0028169 k( 158) = ( 0.4000000 0.1035302 0.0624440), wk = 0.0028169 k( 159) = ( 0.3800000 0.0983537 0.0593218), wk = 0.0028169 k( 160) = ( 0.3600000 0.0931772 0.0561996), wk = 0.0028169 k( 161) = ( 0.3400000 0.0880007 0.0530774), wk = 0.0028169 k( 162) = ( 0.3200000 0.0828242 0.0499552), wk = 0.0028169 k( 163) = ( 0.3000000 0.0776477 0.0468330), wk = 0.0028169 k( 164) = ( 0.2800000 0.0724712 0.0437108), wk = 0.0028169 k( 165) = ( 0.2600000 0.0672946 0.0405886), wk = 0.0028169 k( 166) = ( 0.2400000 0.0621181 0.0374664), wk = 0.0028169 k( 167) = ( 0.2200000 0.0569416 0.0343442), wk = 0.0028169 k( 168) = ( 0.2000000 0.0517651 0.0312220), wk = 0.0028169 k( 169) = ( 0.1800000 0.0465886 0.0280998), wk = 0.0028169 k( 170) = ( 0.1600000 0.0414121 0.0249776), wk = 0.0028169 k( 171) = ( 0.1400000 0.0362356 0.0218554), wk = 0.0028169 k( 172) = ( 0.1200000 0.0310591 0.0187332), wk = 0.0028169 k( 173) = ( 0.1000000 0.0258826 0.0156110), wk = 0.0028169 k( 174) = ( 0.0800000 0.0207060 0.0124888), wk = 0.0028169 k( 175) = ( 0.0600000 0.0155295 0.0093666), wk = 0.0028169 k( 176) = ( 0.0400000 0.0103530 0.0062444), wk = 0.0028169 k( 177) = ( 0.0200000 0.0051765 0.0031222), wk = 0.0028169 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 180) = ( 0.0053273 -0.0096019 -0.0182057), wk = 0.0028169 k( 181) = ( 0.0106546 -0.0192037 -0.0364113), wk = 0.0028169 k( 182) = ( 0.0159819 -0.0288056 -0.0546170), wk = 0.0028169 k( 183) = ( 0.0213092 -0.0384074 -0.0728226), wk = 0.0028169 k( 184) = ( 0.0266365 -0.0480093 -0.0910283), wk = 0.0028169 k( 185) = ( 0.0319638 -0.0576112 -0.1092340), wk = 0.0028169 k( 186) = ( 0.0372910 -0.0672130 -0.1274396), wk = 0.0028169 k( 187) = ( 0.0426183 -0.0768149 -0.1456453), wk = 0.0028169 k( 188) = ( 0.0479456 -0.0864167 -0.1638510), wk = 0.0028169 k( 189) = ( 0.0532729 -0.0960186 -0.1820566), wk = 0.0028169 k( 190) = ( 0.0586002 -0.1056205 -0.2002623), wk = 0.0028169 k( 191) = ( 0.0639275 -0.1152223 -0.2184679), wk = 0.0028169 k( 192) = ( 0.0692548 -0.1248242 -0.2366736), wk = 0.0028169 k( 193) = ( 0.0745821 -0.1344260 -0.2548792), wk = 0.0028169 k( 194) = ( 0.0799094 -0.1440279 -0.2730849), wk = 0.0028169 k( 195) = ( 0.0852367 -0.1536298 -0.2912906), wk = 0.0028169 k( 196) = ( 0.0905640 -0.1632316 -0.3094962), wk = 0.0028169 k( 197) = ( 0.0958913 -0.1728335 -0.3277019), wk = 0.0028169 k( 198) = ( 0.1012186 -0.1824354 -0.3459076), wk = 0.0028169 k( 199) = ( 0.1065459 -0.1920372 -0.3641132), wk = 0.0028169 k( 200) = ( 0.1118732 -0.2016391 -0.3823189), wk = 0.0028169 k( 201) = ( 0.1172004 -0.2112409 -0.4005245), wk = 0.0028169 k( 202) = ( 0.1225277 -0.2208428 -0.4187302), wk = 0.0028169 k( 203) = ( 0.1278550 -0.2304446 -0.4369358), wk = 0.0028169 k( 204) = ( 0.1331823 -0.2400465 -0.4551415), wk = 0.0028169 k( 205) = ( 0.1385096 -0.2496484 -0.4733472), wk = 0.0028169 k( 206) = ( 0.1438369 -0.2592502 -0.4915528), wk = 0.0028169 k( 207) = ( 0.1491642 -0.2688521 -0.5097585), wk = 0.0028169 k( 208) = ( 0.1544915 -0.2784540 -0.5279642), wk = 0.0028169 k( 209) = ( 0.1598188 -0.2880558 -0.5461698), wk = 0.0028169 k( 210) = ( 0.1651461 -0.2976577 -0.5643755), wk = 0.0028169 k( 211) = ( 0.1704734 -0.3072595 -0.5825811), wk = 0.0028169 k( 212) = ( 0.1758007 -0.3168614 -0.6007868), wk = 0.0028169 k( 213) = ( 0.1811280 -0.3264632 -0.6189924), wk = 0.0028169 k( 214) = ( 0.1864552 -0.3360651 -0.6371981), wk = 0.0028169 k( 215) = ( 0.1917825 -0.3456670 -0.6554038), wk = 0.0028169 k( 216) = ( 0.1971098 -0.3552688 -0.6736094), wk = 0.0028169 k( 217) = ( 0.2024371 -0.3648707 -0.6918151), wk = 0.0028169 k( 218) = ( 0.2077644 -0.3744726 -0.7100208), wk = 0.0028169 k( 219) = ( 0.2130917 -0.3840744 -0.7282264), wk = 0.0028169 k( 220) = ( 0.2184190 -0.3936763 -0.7464321), wk = 0.0028169 k( 221) = ( 0.2237463 -0.4032781 -0.7646378), wk = 0.0028169 k( 222) = ( 0.2290736 -0.4128800 -0.7828434), wk = 0.0028169 k( 223) = ( 0.2344009 -0.4224819 -0.8010491), wk = 0.0028169 k( 224) = ( 0.2397282 -0.4320837 -0.8192547), wk = 0.0028169 k( 225) = ( 0.2450555 -0.4416856 -0.8374604), wk = 0.0028169 k( 226) = ( 0.2503828 -0.4512874 -0.8556660), wk = 0.0028169 k( 227) = ( 0.2557101 -0.4608893 -0.8738717), wk = 0.0028169 k( 228) = ( 0.2610374 -0.4704912 -0.8920774), wk = 0.0028169 k( 229) = ( 0.2663646 -0.4800930 -0.9102830), wk = 0.0028169 k( 230) = ( 0.2716919 -0.4896949 -0.9284887), wk = 0.0028169 k( 231) = ( 0.2770192 -0.4992967 -0.9466944), wk = 0.0028169 k( 232) = ( 0.2823465 -0.5088986 -0.9649000), wk = 0.0028169 k( 233) = ( 0.2876738 -0.5185005 -0.9831057), wk = 0.0028169 k( 234) = ( 0.2930011 -0.5281023 -1.0013113), wk = 0.0028169 k( 235) = ( 0.2983284 -0.5377042 -1.0195170), wk = 0.0028169 k( 236) = ( 0.3036557 -0.5473060 -1.0377226), wk = 0.0028169 k( 237) = ( 0.3089830 -0.5569079 -1.0559283), wk = 0.0028169 k( 238) = ( 0.3143103 -0.5665098 -1.0741340), wk = 0.0028169 k( 239) = ( 0.3196376 -0.5761116 -1.0923396), wk = 0.0028169 k( 240) = ( 0.3249649 -0.5857135 -1.1105453), wk = 0.0028169 k( 241) = ( 0.3302922 -0.5953154 -1.1287510), wk = 0.0028169 k( 242) = ( 0.3356195 -0.6049172 -1.1469566), wk = 0.0028169 k( 243) = ( 0.3409468 -0.6145191 -1.1651623), wk = 0.0028169 k( 244) = ( 0.6590533 -0.4851063 -1.0871073), wk = 0.0028169 k( 245) = ( 0.6537515 -0.4646223 -1.0871073), wk = 0.0028169 k( 246) = ( 0.6484497 -0.4441383 -1.0871073), wk = 0.0028169 k( 247) = ( 0.6431479 -0.4236544 -1.0871073), wk = 0.0028169 k( 248) = ( 0.6378462 -0.4031704 -1.0871073), wk = 0.0028169 k( 249) = ( 0.6325444 -0.3826864 -1.0871073), wk = 0.0028169 k( 250) = ( 0.6272426 -0.3622025 -1.0871073), wk = 0.0028169 k( 251) = ( 0.6219408 -0.3417185 -1.0871073), wk = 0.0028169 k( 252) = ( 0.6166390 -0.3212345 -1.0871073), wk = 0.0028169 k( 253) = ( 0.6113373 -0.3007505 -1.0871073), wk = 0.0028169 k( 254) = ( 0.6060355 -0.2802666 -1.0871073), wk = 0.0028169 k( 255) = ( 0.6007337 -0.2597826 -1.0871073), wk = 0.0028169 k( 256) = ( 0.5954320 -0.2392987 -1.0871073), wk = 0.0028169 k( 257) = ( 0.5901302 -0.2188147 -1.0871073), wk = 0.0028169 k( 258) = ( 0.5848284 -0.1983307 -1.0871073), wk = 0.0028169 k( 259) = ( 0.5795266 -0.1778467 -1.0871073), wk = 0.0028169 k( 260) = ( 0.5742249 -0.1573628 -1.0871073), wk = 0.0028169 k( 261) = ( 0.5689231 -0.1368788 -1.0871073), wk = 0.0028169 k( 262) = ( 0.5636213 -0.1163948 -1.0871073), wk = 0.0028169 k( 263) = ( 0.5583195 -0.0959109 -1.0871073), wk = 0.0028169 k( 264) = ( 0.5530177 -0.0754269 -1.0871073), wk = 0.0028169 k( 265) = ( 0.5477160 -0.0549429 -1.0871073), wk = 0.0028169 k( 266) = ( 0.5424142 -0.0344590 -1.0871073), wk = 0.0028169 k( 267) = ( 0.5371124 -0.0139750 -1.0871073), wk = 0.0028169 k( 268) = ( 0.5318107 0.0065090 -1.0871073), wk = 0.0028169 k( 269) = ( 0.5265089 0.0269930 -1.0871073), wk = 0.0028169 k( 270) = ( 0.5212071 0.0474769 -1.0871073), wk = 0.0028169 k( 271) = ( 0.5159053 0.0679609 -1.0871073), wk = 0.0028169 k( 272) = ( 0.5106036 0.0884448 -1.0871073), wk = 0.0028169 k( 273) = ( 0.5053018 0.1089288 -1.0871073), wk = 0.0028169 k( 274) = ( 0.5000000 0.1294128 -1.0871073), wk = 0.0028169 k( 275) = ( 0.5000000 0.1294128 -1.0871073), wk = 0.0028169 k( 276) = ( 0.5176726 0.1339869 -1.0784345), wk = 0.0028169 k( 277) = ( 0.5353452 0.1385610 -1.0697617), wk = 0.0028169 k( 278) = ( 0.5530177 0.1431351 -1.0610889), wk = 0.0028169 k( 279) = ( 0.5706903 0.1477093 -1.0524161), wk = 0.0028169 k( 280) = ( 0.5883629 0.1522834 -1.0437434), wk = 0.0028169 k( 281) = ( 0.6060355 0.1568575 -1.0350706), wk = 0.0028169 k( 282) = ( 0.6237081 0.1614316 -1.0263978), wk = 0.0028169 k( 283) = ( 0.6413807 0.1660057 -1.0177250), wk = 0.0028169 k( 284) = ( 0.6590533 0.1705798 -1.0090523), wk = 0.0028169 k( 285) = ( 0.6590533 0.1705798 -1.0090523), wk = 0.0028169 k( 286) = ( 0.6559945 0.1697882 -0.9881463), wk = 0.0028169 k( 287) = ( 0.6529358 0.1689965 -0.9672404), wk = 0.0028169 k( 288) = ( 0.6498771 0.1682048 -0.9463345), wk = 0.0028169 k( 289) = ( 0.6468184 0.1674131 -0.9254286), wk = 0.0028169 k( 290) = ( 0.6437597 0.1666215 -0.9045227), wk = 0.0028169 k( 291) = ( 0.6407010 0.1658298 -0.8836168), wk = 0.0028169 k( 292) = ( 0.6376422 0.1650381 -0.8627109), wk = 0.0028169 k( 293) = ( 0.6345835 0.1642464 -0.8418050), wk = 0.0028169 k( 294) = ( 0.6315248 0.1634548 -0.8208991), wk = 0.0028169 k( 295) = ( 0.6284661 0.1626631 -0.7999932), wk = 0.0028169 k( 296) = ( 0.6254074 0.1618714 -0.7790873), wk = 0.0028169 k( 297) = ( 0.6223486 0.1610797 -0.7581813), wk = 0.0028169 k( 298) = ( 0.6192899 0.1602881 -0.7372754), wk = 0.0028169 k( 299) = ( 0.6162312 0.1594964 -0.7163695), wk = 0.0028169 k( 300) = ( 0.6131725 0.1587047 -0.6954636), wk = 0.0028169 k( 301) = ( 0.6101138 0.1579131 -0.6745577), wk = 0.0028169 k( 302) = ( 0.6070551 0.1571214 -0.6536518), wk = 0.0028169 k( 303) = ( 0.6039963 0.1563297 -0.6327459), wk = 0.0028169 k( 304) = ( 0.6009376 0.1555380 -0.6118400), wk = 0.0028169 k( 305) = ( 0.5978789 0.1547464 -0.5909341), wk = 0.0028169 k( 306) = ( 0.5948202 0.1539547 -0.5700282), wk = 0.0028169 k( 307) = ( 0.5917615 0.1531630 -0.5491223), wk = 0.0028169 k( 308) = ( 0.5887028 0.1523713 -0.5282163), wk = 0.0028169 k( 309) = ( 0.5856441 0.1515797 -0.5073104), wk = 0.0028169 k( 310) = ( 0.5825853 0.1507880 -0.4864045), wk = 0.0028169 k( 311) = ( 0.5795266 0.1499963 -0.4654986), wk = 0.0028169 k( 312) = ( 0.5764679 0.1492046 -0.4445927), wk = 0.0028169 k( 313) = ( 0.5734092 0.1484130 -0.4236868), wk = 0.0028169 k( 314) = ( 0.5703505 0.1476213 -0.4027809), wk = 0.0028169 k( 315) = ( 0.5672918 0.1468296 -0.3818750), wk = 0.0028169 k( 316) = ( 0.5642330 0.1460379 -0.3609691), wk = 0.0028169 k( 317) = ( 0.5611743 0.1452463 -0.3400632), wk = 0.0028169 k( 318) = ( 0.5581156 0.1444546 -0.3191573), wk = 0.0028169 k( 319) = ( 0.5550569 0.1436629 -0.2982513), wk = 0.0028169 k( 320) = ( 0.5519982 0.1428712 -0.2773454), wk = 0.0028169 k( 321) = ( 0.5489395 0.1420796 -0.2564395), wk = 0.0028169 k( 322) = ( 0.5458807 0.1412879 -0.2355336), wk = 0.0028169 k( 323) = ( 0.5428220 0.1404962 -0.2146277), wk = 0.0028169 k( 324) = ( 0.5397633 0.1397045 -0.1937218), wk = 0.0028169 k( 325) = ( 0.5367046 0.1389129 -0.1728159), wk = 0.0028169 k( 326) = ( 0.5336459 0.1381212 -0.1519100), wk = 0.0028169 k( 327) = ( 0.5305872 0.1373295 -0.1310041), wk = 0.0028169 k( 328) = ( 0.5275285 0.1365379 -0.1100982), wk = 0.0028169 k( 329) = ( 0.5244697 0.1357462 -0.0891923), wk = 0.0028169 k( 330) = ( 0.5214110 0.1349545 -0.0682863), wk = 0.0028169 k( 331) = ( 0.5183523 0.1341628 -0.0473805), wk = 0.0028169 k( 332) = ( 0.5152936 0.1333712 -0.0264745), wk = 0.0028169 k( 333) = ( 0.5122349 0.1325795 -0.0055686), wk = 0.0028169 k( 334) = ( 0.5091762 0.1317878 0.0153373), wk = 0.0028169 k( 335) = ( 0.5061174 0.1309961 0.0362432), wk = 0.0028169 k( 336) = ( 0.5030587 0.1302045 0.0571491), wk = 0.0028169 k( 337) = ( 0.5000000 0.1294128 0.0780550), wk = 0.0028169 k( 338) = ( 0.5000000 -0.9011951 -0.5435536), wk = 0.0028169 k( 339) = ( 0.5187122 -0.8935826 -0.5389622), wk = 0.0028169 k( 340) = ( 0.5374243 -0.8859700 -0.5343707), wk = 0.0028169 k( 341) = ( 0.5561364 -0.8783575 -0.5297792), wk = 0.0028169 k( 342) = ( 0.5748486 -0.8707450 -0.5251878), wk = 0.0028169 k( 343) = ( 0.5935607 -0.8631325 -0.5205963), wk = 0.0028169 k( 344) = ( 0.6122729 -0.8555200 -0.5160048), wk = 0.0028169 k( 345) = ( 0.6309850 -0.8479075 -0.5114133), wk = 0.0028169 k( 346) = ( 0.6496972 -0.8402949 -0.5068219), wk = 0.0028169 k( 347) = ( 0.6684093 -0.8326824 -0.5022304), wk = 0.0028169 k( 348) = ( 0.6871215 -0.8250699 -0.4976389), wk = 0.0028169 k( 349) = ( 0.7058336 -0.8174574 -0.4930475), wk = 0.0028169 k( 350) = ( 0.7245458 -0.8098449 -0.4884560), wk = 0.0028169 k( 351) = ( 0.7432579 -0.8022323 -0.4838645), wk = 0.0028169 k( 352) = ( 0.7619701 -0.7946198 -0.4792730), wk = 0.0028169 k( 353) = ( 0.7806822 -0.7870073 -0.4746816), wk = 0.0028169 k( 354) = ( 0.7993944 -0.7793948 -0.4700901), wk = 0.0028169 k( 355) = ( 0.8181065 -0.7717823 -0.4654986), wk = 0.0028169 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0028169 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0028169 k( 4) = ( 0.0272727 0.0000000 0.0000000), wk = 0.0028169 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0028169 k( 6) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0028169 k( 7) = ( 0.0545455 -0.0000000 0.0000000), wk = 0.0028169 k( 8) = ( 0.0636364 -0.0000000 0.0000000), wk = 0.0028169 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0028169 k( 10) = ( 0.0818182 -0.0000000 0.0000000), wk = 0.0028169 k( 11) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0028169 k( 12) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0028169 k( 13) = ( 0.1090909 -0.0000000 -0.0000000), wk = 0.0028169 k( 14) = ( 0.1181818 -0.0000000 0.0000000), wk = 0.0028169 k( 15) = ( 0.1272727 -0.0000000 0.0000000), wk = 0.0028169 k( 16) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0028169 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0028169 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0028169 k( 19) = ( 0.1636364 -0.0000000 0.0000000), wk = 0.0028169 k( 20) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0028169 k( 21) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0028169 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0028169 k( 23) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0028169 k( 24) = ( 0.2090909 -0.0000000 0.0000000), wk = 0.0028169 k( 25) = ( 0.2181818 -0.0000000 -0.0000000), wk = 0.0028169 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0028169 k( 27) = ( 0.2363636 -0.0000000 0.0000000), wk = 0.0028169 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0028169 k( 29) = ( 0.2545455 -0.0000000 0.0000000), wk = 0.0028169 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0028169 k( 31) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0028169 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0028169 k( 33) = ( 0.2909091 0.0000000 0.0000000), wk = 0.0028169 k( 34) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0028169 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0028169 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0028169 k( 37) = ( 0.3272727 0.0000000 0.0000000), wk = 0.0028169 k( 38) = ( 0.3363636 0.0000000 0.0000000), wk = 0.0028169 k( 39) = ( 0.3454546 -0.0000000 0.0000000), wk = 0.0028169 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0028169 k( 41) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0028169 k( 42) = ( 0.3727273 0.0000000 0.0000000), wk = 0.0028169 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0028169 k( 44) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0028169 k( 45) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0028169 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0028169 k( 47) = ( 0.4181818 -0.0000000 0.0000000), wk = 0.0028169 k( 48) = ( 0.4272727 -0.0000000 0.0000000), wk = 0.0028169 k( 49) = ( 0.4363636 -0.0000000 -0.0000000), wk = 0.0028169 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0028169 k( 51) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0028169 k( 52) = ( 0.4636364 -0.0000000 0.0000000), wk = 0.0028169 k( 53) = ( 0.4727273 -0.0000000 0.0000000), wk = 0.0028169 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0028169 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0028169 k( 56) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028169 k( 57) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028169 k( 58) = ( 0.5000000 0.0053498 -0.0053498), wk = 0.0028169 k( 59) = ( 0.5000000 0.0106996 -0.0106996), wk = 0.0028169 k( 60) = ( 0.5000000 0.0160494 -0.0160494), wk = 0.0028169 k( 61) = ( 0.5000000 0.0213992 -0.0213992), wk = 0.0028169 k( 62) = ( 0.5000000 0.0267490 -0.0267490), wk = 0.0028169 k( 63) = ( 0.5000000 0.0320988 -0.0320988), wk = 0.0028169 k( 64) = ( 0.5000000 0.0374487 -0.0374487), wk = 0.0028169 k( 65) = ( 0.5000000 0.0427985 -0.0427985), wk = 0.0028169 k( 66) = ( 0.5000000 0.0481483 -0.0481483), wk = 0.0028169 k( 67) = ( 0.5000000 0.0534981 -0.0534981), wk = 0.0028169 k( 68) = ( 0.5000000 0.0588479 -0.0588479), wk = 0.0028169 k( 69) = ( 0.5000000 0.0641977 -0.0641977), wk = 0.0028169 k( 70) = ( 0.5000000 0.0695475 -0.0695475), wk = 0.0028169 k( 71) = ( 0.5000000 0.0748973 -0.0748973), wk = 0.0028169 k( 72) = ( 0.5000000 0.0802471 -0.0802471), wk = 0.0028169 k( 73) = ( 0.5000000 0.0855969 -0.0855969), wk = 0.0028169 k( 74) = ( 0.5000000 0.0909467 -0.0909467), wk = 0.0028169 k( 75) = ( 0.5000000 0.0962966 -0.0962966), wk = 0.0028169 k( 76) = ( 0.5000000 0.1016464 -0.1016464), wk = 0.0028169 k( 77) = ( 0.5000000 0.1069962 -0.1069962), wk = 0.0028169 k( 78) = ( 0.5000000 0.1123460 -0.1123460), wk = 0.0028169 k( 79) = ( 0.5000000 0.1176958 -0.1176958), wk = 0.0028169 k( 80) = ( 0.5000000 0.1230456 -0.1230456), wk = 0.0028169 k( 81) = ( 0.5000000 0.1283954 -0.1283954), wk = 0.0028169 k( 82) = ( 0.5000000 0.1337452 -0.1337452), wk = 0.0028169 k( 83) = ( 0.5000000 0.1390950 -0.1390950), wk = 0.0028169 k( 84) = ( 0.5000000 0.1444448 -0.1444448), wk = 0.0028169 k( 85) = ( 0.5000000 0.1497946 -0.1497946), wk = 0.0028169 k( 86) = ( 0.5000000 0.1551445 -0.1551445), wk = 0.0028169 k( 87) = ( 0.5000000 0.1604943 -0.1604943), wk = 0.0028169 k( 88) = ( 0.5000000 0.1658441 -0.1658441), wk = 0.0028169 k( 89) = ( 0.5000000 0.1711939 -0.1711939), wk = 0.0028169 k( 90) = ( 0.5000000 0.1765437 -0.1765437), wk = 0.0028169 k( 91) = ( 0.5000000 0.1818935 -0.1818935), wk = 0.0028169 k( 92) = ( 0.8181065 0.5000000 0.1818935), wk = 0.0028169 k( 93) = ( 0.8128047 0.5000000 0.1871953), wk = 0.0028169 k( 94) = ( 0.8075030 0.5000000 0.1924971), wk = 0.0028169 k( 95) = ( 0.8022012 0.5000000 0.1977988), wk = 0.0028169 k( 96) = ( 0.7968994 0.5000000 0.2031006), wk = 0.0028169 k( 97) = ( 0.7915976 0.5000000 0.2084024), wk = 0.0028169 k( 98) = ( 0.7862959 0.5000000 0.2137042), wk = 0.0028169 k( 99) = ( 0.7809941 0.5000000 0.2190059), wk = 0.0028169 k( 100) = ( 0.7756923 0.5000000 0.2243077), wk = 0.0028169 k( 101) = ( 0.7703905 0.5000000 0.2296095), wk = 0.0028169 k( 102) = ( 0.7650887 0.5000000 0.2349113), wk = 0.0028169 k( 103) = ( 0.7597870 0.5000000 0.2402130), wk = 0.0028169 k( 104) = ( 0.7544852 0.5000000 0.2455148), wk = 0.0028169 k( 105) = ( 0.7491834 0.5000000 0.2508166), wk = 0.0028169 k( 106) = ( 0.7438816 0.5000000 0.2561183), wk = 0.0028169 k( 107) = ( 0.7385799 0.5000000 0.2614201), wk = 0.0028169 k( 108) = ( 0.7332781 0.5000000 0.2667219), wk = 0.0028169 k( 109) = ( 0.7279763 0.5000000 0.2720237), wk = 0.0028169 k( 110) = ( 0.7226746 0.5000000 0.2773255), wk = 0.0028169 k( 111) = ( 0.7173728 0.5000000 0.2826272), wk = 0.0028169 k( 112) = ( 0.7120710 0.5000000 0.2879290), wk = 0.0028169 k( 113) = ( 0.7067692 0.5000000 0.2932308), wk = 0.0028169 k( 114) = ( 0.7014674 0.5000000 0.2985326), wk = 0.0028169 k( 115) = ( 0.6961657 0.5000000 0.3038343), wk = 0.0028169 k( 116) = ( 0.6908639 0.5000000 0.3091361), wk = 0.0028169 k( 117) = ( 0.6855621 0.5000000 0.3144379), wk = 0.0028169 k( 118) = ( 0.6802603 0.5000000 0.3197397), wk = 0.0028169 k( 119) = ( 0.6749586 0.5000000 0.3250414), wk = 0.0028169 k( 120) = ( 0.6696568 0.5000000 0.3303432), wk = 0.0028169 k( 121) = ( 0.6643550 0.5000000 0.3356450), wk = 0.0028169 k( 122) = ( 0.6590533 0.5000000 0.3409468), wk = 0.0028169 k( 123) = ( 0.6537515 0.5000000 0.3462485), wk = 0.0028169 k( 124) = ( 0.6484497 0.5000000 0.3515503), wk = 0.0028169 k( 125) = ( 0.6431479 0.5000000 0.3568521), wk = 0.0028169 k( 126) = ( 0.6378462 0.5000000 0.3621538), wk = 0.0028169 k( 127) = ( 0.6325444 0.5000000 0.3674556), wk = 0.0028169 k( 128) = ( 0.6272426 0.5000000 0.3727574), wk = 0.0028169 k( 129) = ( 0.6219408 0.5000000 0.3780592), wk = 0.0028169 k( 130) = ( 0.6166390 0.5000000 0.3833609), wk = 0.0028169 k( 131) = ( 0.6113373 0.5000000 0.3886627), wk = 0.0028169 k( 132) = ( 0.6060355 0.5000000 0.3939645), wk = 0.0028169 k( 133) = ( 0.6007337 0.5000000 0.3992663), wk = 0.0028169 k( 134) = ( 0.5954320 0.5000000 0.4045681), wk = 0.0028169 k( 135) = ( 0.5901302 0.5000000 0.4098698), wk = 0.0028169 k( 136) = ( 0.5848284 0.5000000 0.4151716), wk = 0.0028169 k( 137) = ( 0.5795266 0.5000000 0.4204734), wk = 0.0028169 k( 138) = ( 0.5742249 0.5000000 0.4257751), wk = 0.0028169 k( 139) = ( 0.5689231 0.5000000 0.4310769), wk = 0.0028169 k( 140) = ( 0.5636213 0.5000000 0.4363787), wk = 0.0028169 k( 141) = ( 0.5583195 0.5000000 0.4416805), wk = 0.0028169 k( 142) = ( 0.5530177 0.5000000 0.4469823), wk = 0.0028169 k( 143) = ( 0.5477160 0.5000000 0.4522840), wk = 0.0028169 k( 144) = ( 0.5424142 0.5000000 0.4575858), wk = 0.0028169 k( 145) = ( 0.5371124 0.5000000 0.4628876), wk = 0.0028169 k( 146) = ( 0.5318107 0.5000000 0.4681893), wk = 0.0028169 k( 147) = ( 0.5265089 0.5000000 0.4734911), wk = 0.0028169 k( 148) = ( 0.5212071 0.5000000 0.4787929), wk = 0.0028169 k( 149) = ( 0.5159053 0.5000000 0.4840947), wk = 0.0028169 k( 150) = ( 0.5106036 0.5000000 0.4893964), wk = 0.0028169 k( 151) = ( 0.5053018 0.5000000 0.4946982), wk = 0.0028169 k( 152) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 154) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0028169 k( 155) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0028169 k( 156) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0028169 k( 157) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0028169 k( 158) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028169 k( 159) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0028169 k( 160) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0028169 k( 161) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0028169 k( 162) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0028169 k( 163) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028169 k( 164) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0028169 k( 165) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0028169 k( 166) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0028169 k( 167) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0028169 k( 168) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028169 k( 169) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0028169 k( 170) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0028169 k( 171) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0028169 k( 172) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0028169 k( 173) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028169 k( 174) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0028169 k( 175) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0028169 k( 176) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0028169 k( 177) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0028169 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 180) = ( 0.0053273 -0.0000000 -0.0053273), wk = 0.0028169 k( 181) = ( 0.0106546 -0.0000000 -0.0106546), wk = 0.0028169 k( 182) = ( 0.0159819 0.0000000 -0.0159819), wk = 0.0028169 k( 183) = ( 0.0213092 0.0000000 -0.0213092), wk = 0.0028169 k( 184) = ( 0.0266365 -0.0000000 -0.0266365), wk = 0.0028169 k( 185) = ( 0.0319638 0.0000000 -0.0319638), wk = 0.0028169 k( 186) = ( 0.0372910 -0.0000000 -0.0372910), wk = 0.0028169 k( 187) = ( 0.0426183 0.0000000 -0.0426183), wk = 0.0028169 k( 188) = ( 0.0479456 0.0000000 -0.0479456), wk = 0.0028169 k( 189) = ( 0.0532729 0.0000000 -0.0532729), wk = 0.0028169 k( 190) = ( 0.0586002 0.0000000 -0.0586002), wk = 0.0028169 k( 191) = ( 0.0639275 0.0000000 -0.0639275), wk = 0.0028169 k( 192) = ( 0.0692548 -0.0000000 -0.0692548), wk = 0.0028169 k( 193) = ( 0.0745821 -0.0000000 -0.0745821), wk = 0.0028169 k( 194) = ( 0.0799094 -0.0000000 -0.0799094), wk = 0.0028169 k( 195) = ( 0.0852367 0.0000000 -0.0852367), wk = 0.0028169 k( 196) = ( 0.0905640 0.0000000 -0.0905640), wk = 0.0028169 k( 197) = ( 0.0958913 0.0000000 -0.0958913), wk = 0.0028169 k( 198) = ( 0.1012186 -0.0000000 -0.1012186), wk = 0.0028169 k( 199) = ( 0.1065459 0.0000000 -0.1065459), wk = 0.0028169 k( 200) = ( 0.1118732 0.0000000 -0.1118731), wk = 0.0028169 k( 201) = ( 0.1172004 0.0000000 -0.1172005), wk = 0.0028169 k( 202) = ( 0.1225277 -0.0000000 -0.1225277), wk = 0.0028169 k( 203) = ( 0.1278550 -0.0000000 -0.1278550), wk = 0.0028169 k( 204) = ( 0.1331823 0.0000000 -0.1331823), wk = 0.0028169 k( 205) = ( 0.1385096 -0.0000000 -0.1385096), wk = 0.0028169 k( 206) = ( 0.1438369 0.0000000 -0.1438369), wk = 0.0028169 k( 207) = ( 0.1491642 -0.0000000 -0.1491642), wk = 0.0028169 k( 208) = ( 0.1544915 0.0000000 -0.1544915), wk = 0.0028169 k( 209) = ( 0.1598188 -0.0000000 -0.1598188), wk = 0.0028169 k( 210) = ( 0.1651461 0.0000000 -0.1651461), wk = 0.0028169 k( 211) = ( 0.1704734 0.0000000 -0.1704734), wk = 0.0028169 k( 212) = ( 0.1758007 -0.0000000 -0.1758007), wk = 0.0028169 k( 213) = ( 0.1811280 0.0000000 -0.1811280), wk = 0.0028169 k( 214) = ( 0.1864552 -0.0000000 -0.1864552), wk = 0.0028169 k( 215) = ( 0.1917825 0.0000000 -0.1917825), wk = 0.0028169 k( 216) = ( 0.1971098 0.0000000 -0.1971098), wk = 0.0028169 k( 217) = ( 0.2024371 0.0000000 -0.2024371), wk = 0.0028169 k( 218) = ( 0.2077644 -0.0000000 -0.2077644), wk = 0.0028169 k( 219) = ( 0.2130917 0.0000000 -0.2130917), wk = 0.0028169 k( 220) = ( 0.2184190 -0.0000000 -0.2184190), wk = 0.0028169 k( 221) = ( 0.2237463 0.0000000 -0.2237463), wk = 0.0028169 k( 222) = ( 0.2290736 -0.0000000 -0.2290736), wk = 0.0028169 k( 223) = ( 0.2344009 0.0000000 -0.2344009), wk = 0.0028169 k( 224) = ( 0.2397282 0.0000000 -0.2397282), wk = 0.0028169 k( 225) = ( 0.2450555 -0.0000000 -0.2450555), wk = 0.0028169 k( 226) = ( 0.2503828 -0.0000000 -0.2503828), wk = 0.0028169 k( 227) = ( 0.2557101 -0.0000000 -0.2557101), wk = 0.0028169 k( 228) = ( 0.2610374 -0.0000000 -0.2610374), wk = 0.0028169 k( 229) = ( 0.2663646 0.0000000 -0.2663646), wk = 0.0028169 k( 230) = ( 0.2716919 -0.0000000 -0.2716919), wk = 0.0028169 k( 231) = ( 0.2770192 -0.0000000 -0.2770192), wk = 0.0028169 k( 232) = ( 0.2823465 0.0000000 -0.2823465), wk = 0.0028169 k( 233) = ( 0.2876738 0.0000000 -0.2876738), wk = 0.0028169 k( 234) = ( 0.2930011 0.0000000 -0.2930011), wk = 0.0028169 k( 235) = ( 0.2983284 -0.0000000 -0.2983284), wk = 0.0028169 k( 236) = ( 0.3036557 0.0000000 -0.3036557), wk = 0.0028169 k( 237) = ( 0.3089830 0.0000000 -0.3089830), wk = 0.0028169 k( 238) = ( 0.3143103 -0.0000000 -0.3143103), wk = 0.0028169 k( 239) = ( 0.3196376 -0.0000000 -0.3196376), wk = 0.0028169 k( 240) = ( 0.3249649 0.0000000 -0.3249649), wk = 0.0028169 k( 241) = ( 0.3302922 0.0000000 -0.3302922), wk = 0.0028169 k( 242) = ( 0.3356195 -0.0000000 -0.3356195), wk = 0.0028169 k( 243) = ( 0.3409468 0.0000000 -0.3409467), wk = 0.0028169 k( 244) = ( 0.6590533 0.3409467 -0.0000000), wk = 0.0028169 k( 245) = ( 0.6537515 0.3462485 0.0000000), wk = 0.0028169 k( 246) = ( 0.6484497 0.3515503 0.0000000), wk = 0.0028169 k( 247) = ( 0.6431479 0.3568521 0.0000000), wk = 0.0028169 k( 248) = ( 0.6378462 0.3621538 0.0000000), wk = 0.0028169 k( 249) = ( 0.6325444 0.3674556 0.0000000), wk = 0.0028169 k( 250) = ( 0.6272426 0.3727574 -0.0000000), wk = 0.0028169 k( 251) = ( 0.6219408 0.3780592 -0.0000000), wk = 0.0028169 k( 252) = ( 0.6166390 0.3833609 0.0000000), wk = 0.0028169 k( 253) = ( 0.6113373 0.3886627 0.0000000), wk = 0.0028169 k( 254) = ( 0.6060355 0.3939645 0.0000000), wk = 0.0028169 k( 255) = ( 0.6007337 0.3992663 0.0000000), wk = 0.0028169 k( 256) = ( 0.5954320 0.4045680 0.0000000), wk = 0.0028169 k( 257) = ( 0.5901302 0.4098698 0.0000000), wk = 0.0028169 k( 258) = ( 0.5848284 0.4151716 0.0000000), wk = 0.0028169 k( 259) = ( 0.5795266 0.4204734 0.0000000), wk = 0.0028169 k( 260) = ( 0.5742249 0.4257751 0.0000000), wk = 0.0028169 k( 261) = ( 0.5689231 0.4310769 0.0000000), wk = 0.0028169 k( 262) = ( 0.5636213 0.4363787 0.0000000), wk = 0.0028169 k( 263) = ( 0.5583195 0.4416805 0.0000000), wk = 0.0028169 k( 264) = ( 0.5530177 0.4469822 0.0000000), wk = 0.0028169 k( 265) = ( 0.5477160 0.4522840 0.0000000), wk = 0.0028169 k( 266) = ( 0.5424142 0.4575858 0.0000000), wk = 0.0028169 k( 267) = ( 0.5371124 0.4628876 0.0000000), wk = 0.0028169 k( 268) = ( 0.5318107 0.4681893 -0.0000000), wk = 0.0028169 k( 269) = ( 0.5265089 0.4734911 0.0000000), wk = 0.0028169 k( 270) = ( 0.5212071 0.4787929 -0.0000000), wk = 0.0028169 k( 271) = ( 0.5159053 0.4840947 0.0000000), wk = 0.0028169 k( 272) = ( 0.5106036 0.4893964 0.0000000), wk = 0.0028169 k( 273) = ( 0.5053018 0.4946982 0.0000000), wk = 0.0028169 k( 274) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028169 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028169 k( 276) = ( 0.5176726 0.5176726 0.0202104), wk = 0.0028169 k( 277) = ( 0.5353452 0.5353452 0.0404208), wk = 0.0028169 k( 278) = ( 0.5530177 0.5530177 0.0606312), wk = 0.0028169 k( 279) = ( 0.5706903 0.5706903 0.0808416), wk = 0.0028169 k( 280) = ( 0.5883629 0.5883629 0.1010520), wk = 0.0028169 k( 281) = ( 0.6060355 0.6060355 0.1212623), wk = 0.0028169 k( 282) = ( 0.6237081 0.6237081 0.1414727), wk = 0.0028169 k( 283) = ( 0.6413807 0.6413807 0.1616831), wk = 0.0028169 k( 284) = ( 0.6590533 0.6590533 0.1818935), wk = 0.0028169 k( 285) = ( 0.6590533 0.6590533 0.1818935), wk = 0.0028169 k( 286) = ( 0.6559945 0.6559945 0.1880109), wk = 0.0028169 k( 287) = ( 0.6529358 0.6529358 0.1941284), wk = 0.0028169 k( 288) = ( 0.6498771 0.6498771 0.2002458), wk = 0.0028169 k( 289) = ( 0.6468184 0.6468184 0.2063632), wk = 0.0028169 k( 290) = ( 0.6437597 0.6437597 0.2124807), wk = 0.0028169 k( 291) = ( 0.6407010 0.6407009 0.2185981), wk = 0.0028169 k( 292) = ( 0.6376422 0.6376422 0.2247155), wk = 0.0028169 k( 293) = ( 0.6345835 0.6345835 0.2308330), wk = 0.0028169 k( 294) = ( 0.6315248 0.6315248 0.2369504), wk = 0.0028169 k( 295) = ( 0.6284661 0.6284661 0.2430678), wk = 0.0028169 k( 296) = ( 0.6254074 0.6254074 0.2491853), wk = 0.0028169 k( 297) = ( 0.6223486 0.6223486 0.2553027), wk = 0.0028169 k( 298) = ( 0.6192899 0.6192899 0.2614201), wk = 0.0028169 k( 299) = ( 0.6162312 0.6162312 0.2675376), wk = 0.0028169 k( 300) = ( 0.6131725 0.6131725 0.2736550), wk = 0.0028169 k( 301) = ( 0.6101138 0.6101138 0.2797724), wk = 0.0028169 k( 302) = ( 0.6070551 0.6070551 0.2858899), wk = 0.0028169 k( 303) = ( 0.6039963 0.6039963 0.2920073), wk = 0.0028169 k( 304) = ( 0.6009376 0.6009376 0.2981247), wk = 0.0028169 k( 305) = ( 0.5978789 0.5978789 0.3042422), wk = 0.0028169 k( 306) = ( 0.5948202 0.5948202 0.3103596), wk = 0.0028169 k( 307) = ( 0.5917615 0.5917615 0.3164770), wk = 0.0028169 k( 308) = ( 0.5887028 0.5887028 0.3225945), wk = 0.0028169 k( 309) = ( 0.5856441 0.5856441 0.3287119), wk = 0.0028169 k( 310) = ( 0.5825853 0.5825853 0.3348293), wk = 0.0028169 k( 311) = ( 0.5795266 0.5795266 0.3409467), wk = 0.0028169 k( 312) = ( 0.5764679 0.5764679 0.3470642), wk = 0.0028169 k( 313) = ( 0.5734092 0.5734092 0.3531816), wk = 0.0028169 k( 314) = ( 0.5703505 0.5703505 0.3592991), wk = 0.0028169 k( 315) = ( 0.5672918 0.5672918 0.3654165), wk = 0.0028169 k( 316) = ( 0.5642330 0.5642330 0.3715339), wk = 0.0028169 k( 317) = ( 0.5611743 0.5611743 0.3776514), wk = 0.0028169 k( 318) = ( 0.5581156 0.5581156 0.3837688), wk = 0.0028169 k( 319) = ( 0.5550569 0.5550569 0.3898862), wk = 0.0028169 k( 320) = ( 0.5519982 0.5519982 0.3960037), wk = 0.0028169 k( 321) = ( 0.5489395 0.5489395 0.4021211), wk = 0.0028169 k( 322) = ( 0.5458807 0.5458807 0.4082385), wk = 0.0028169 k( 323) = ( 0.5428220 0.5428220 0.4143559), wk = 0.0028169 k( 324) = ( 0.5397633 0.5397633 0.4204734), wk = 0.0028169 k( 325) = ( 0.5367046 0.5367046 0.4265908), wk = 0.0028169 k( 326) = ( 0.5336459 0.5336459 0.4327082), wk = 0.0028169 k( 327) = ( 0.5305872 0.5305872 0.4388257), wk = 0.0028169 k( 328) = ( 0.5275285 0.5275285 0.4449431), wk = 0.0028169 k( 329) = ( 0.5244697 0.5244697 0.4510605), wk = 0.0028169 k( 330) = ( 0.5214110 0.5214110 0.4571780), wk = 0.0028169 k( 331) = ( 0.5183523 0.5183523 0.4632954), wk = 0.0028169 k( 332) = ( 0.5152936 0.5152936 0.4694128), wk = 0.0028169 k( 333) = ( 0.5122349 0.5122349 0.4755303), wk = 0.0028169 k( 334) = ( 0.5091762 0.5091761 0.4816477), wk = 0.0028169 k( 335) = ( 0.5061174 0.5061174 0.4877651), wk = 0.0028169 k( 336) = ( 0.5030587 0.5030587 0.4938826), wk = 0.0028169 k( 337) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 338) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028169 k( 339) = ( 0.5187122 0.0200557 0.0200557), wk = 0.0028169 k( 340) = ( 0.5374243 0.0401114 0.0401114), wk = 0.0028169 k( 341) = ( 0.5561364 0.0601671 0.0601671), wk = 0.0028169 k( 342) = ( 0.5748486 0.0802228 0.0802228), wk = 0.0028169 k( 343) = ( 0.5935607 0.1002785 0.1002785), wk = 0.0028169 k( 344) = ( 0.6122729 0.1203341 0.1203341), wk = 0.0028169 k( 345) = ( 0.6309850 0.1403898 0.1403898), wk = 0.0028169 k( 346) = ( 0.6496972 0.1604455 0.1604455), wk = 0.0028169 k( 347) = ( 0.6684093 0.1805012 0.1805012), wk = 0.0028169 k( 348) = ( 0.6871215 0.2005569 0.2005569), wk = 0.0028169 k( 349) = ( 0.7058336 0.2206126 0.2206126), wk = 0.0028169 k( 350) = ( 0.7245458 0.2406683 0.2406683), wk = 0.0028169 k( 351) = ( 0.7432579 0.2607240 0.2607240), wk = 0.0028169 k( 352) = ( 0.7619701 0.2807797 0.2807797), wk = 0.0028169 k( 353) = ( 0.7806822 0.3008354 0.3008354), wk = 0.0028169 k( 354) = ( 0.7993944 0.3208911 0.3208911), wk = 0.0028169 k( 355) = ( 0.8181065 0.3409467 0.3409468), wk = 0.0028169 Dense grid: 31965 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 18221 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 102, 34) NL pseudopotentials 0.08 Mb ( 51, 102) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 666) G-vector shells 0.00 Mb ( 592) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 102, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.11 Mb ( 102, 2, 34) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./ZrCl2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 47.7 secs Computing kpt #: 4 total cpu time spent up to now is 49.5 secs Computing kpt #: 5 total cpu time spent up to now is 50.6 secs Computing kpt #: 6 total cpu time spent up to now is 51.7 secs Computing kpt #: 7 total cpu time spent up to now is 52.7 secs Computing kpt #: 8 total cpu time spent up to now is 54.3 secs Computing kpt #: 9 total cpu time spent up to now is 55.4 secs Computing kpt #: 10 total cpu time spent up to now is 56.8 secs Computing kpt #: 11 total cpu time spent up to now is 58.3 secs Computing kpt #: 12 total cpu time spent up to now is 59.4 secs Computing kpt #: 13 total cpu time spent up to now is 60.3 secs Computing kpt #: 14 total cpu time spent up to now is 61.3 secs Computing kpt #: 15 total cpu time spent up to now is 62.8 secs Computing kpt #: 16 total cpu time spent up to now is 64.4 secs Computing kpt #: 17 total cpu time spent up to now is 65.3 secs Computing kpt #: 18 total cpu time spent up to now is 66.6 secs Computing kpt #: 19 total cpu time spent up to now is 67.7 secs Computing kpt #: 20 total cpu time spent up to now is 68.6 secs Computing kpt #: 21 total cpu time spent up to now is 69.5 secs Computing kpt #: 22 total cpu time spent up to now is 70.5 secs Computing kpt #: 23 total cpu time spent up to now is 71.7 secs Computing kpt #: 24 total cpu time spent up to now is 72.6 secs Computing kpt #: 25 total cpu time spent up to now is 73.9 secs Computing kpt #: 26 total cpu time spent up to now is 75.0 secs Computing kpt #: 27 total cpu time spent up to now is 76.4 secs Computing kpt #: 28 total cpu time spent up to now is 77.6 secs Computing kpt #: 29 total cpu time spent up to now is 78.6 secs Computing kpt #: 30 total cpu time spent up to now is 79.7 secs Computing kpt #: 31 total cpu time spent up to now is 80.8 secs Computing kpt #: 32 total cpu time spent up to now is 82.0 secs Computing kpt #: 33 total cpu time spent up to now is 83.1 secs Computing kpt #: 34 total cpu time spent up to now is 84.1 secs Computing kpt #: 35 total cpu time spent up to now is 85.2 secs Computing kpt #: 36 total cpu time spent up to now is 86.1 secs Computing kpt #: 37 total cpu time spent up to now is 87.1 secs Computing kpt #: 38 total cpu time spent up to now is 88.0 secs Computing kpt #: 39 total cpu time spent up to now is 88.9 secs Computing kpt #: 40 total cpu time spent up to now is 89.8 secs Computing kpt #: 41 total cpu time spent up to now is 90.7 secs Computing kpt #: 42 total cpu time spent up to now is 91.7 secs Computing kpt #: 43 total cpu time spent up to now is 92.6 secs Computing kpt #: 44 total cpu time spent up to now is 93.5 secs Computing kpt #: 45 total cpu time spent up to now is 94.4 secs Computing kpt #: 46 total cpu time spent up to now is 95.4 secs Computing kpt #: 47 total cpu time spent up to now is 96.3 secs Computing kpt #: 48 total cpu time spent up to now is 97.5 secs Computing kpt #: 49 total cpu time spent up to now is 98.5 secs Computing kpt #: 50 total cpu time spent up to now is 99.9 secs Computing kpt #: 51 total cpu time spent up to now is 101.0 secs Computing kpt #: 52 total cpu time spent up to now is 102.0 secs Computing kpt #: 53 total cpu time spent up to now is 103.5 secs Computing kpt #: 54 total cpu time spent up to now is 105.0 secs Computing kpt #: 55 total cpu time spent up to now is 107.0 secs Computing kpt #: 56 total cpu time spent up to now is 108.1 secs Computing kpt #: 57 total cpu time spent up to now is 109.2 secs Computing kpt #: 58 total cpu time spent up to now is 110.2 secs Computing kpt #: 59 total cpu time spent up to now is 111.3 secs Computing kpt #: 60 total cpu time spent up to now is 112.7 secs Computing kpt #: 61 total cpu time spent up to now is 113.6 secs Computing kpt #: 62 total cpu time spent up to now is 114.6 secs Computing kpt #: 63 total cpu time spent up to now is 115.6 secs Computing kpt #: 64 total cpu time spent up to now is 117.0 secs Computing kpt #: 65 total cpu time spent up to now is 118.3 secs Computing kpt #: 66 total cpu time spent up to now is 119.5 secs Computing kpt #: 67 total cpu time spent up to now is 120.5 secs Computing kpt #: 68 total cpu time spent up to now is 121.5 secs Computing kpt #: 69 total cpu time spent up to now is 122.6 secs Computing kpt #: 70 total cpu time spent up to now is 123.8 secs Computing kpt #: 71 total cpu time spent up to now is 125.2 secs Computing kpt #: 72 total cpu time spent up to now is 127.2 secs Computing kpt #: 73 total cpu time spent up to now is 129.0 secs Computing kpt #: 74 total cpu time spent up to now is 130.1 secs Computing kpt #: 75 total cpu time spent up to now is 131.2 secs Computing kpt #: 76 total cpu time spent up to now is 133.2 secs Computing kpt #: 77 total cpu time spent up to now is 134.1 secs Computing kpt #: 78 total cpu time spent up to now is 137.6 secs Computing kpt #: 79 total cpu time spent up to now is 140.6 secs Computing kpt #: 80 total cpu time spent up to now is 142.5 secs Computing kpt #: 81 total cpu time spent up to now is 144.7 secs Computing kpt #: 82 total cpu time spent up to now is 147.4 secs Computing kpt #: 83 total cpu time spent up to now is 149.3 secs Computing kpt #: 84 total cpu time spent up to now is 150.6 secs Computing kpt #: 85 total cpu time spent up to now is 151.5 secs Computing kpt #: 86 total cpu time spent up to now is 152.6 secs Computing kpt #: 87 total cpu time spent up to now is 154.0 secs Computing kpt #: 88 total cpu time spent up to now is 155.1 secs Computing kpt #: 89 total cpu time spent up to now is 156.2 secs Computing kpt #: 90 total cpu time spent up to now is 157.2 secs Computing kpt #: 91 total cpu time spent up to now is 158.3 secs Computing kpt #: 92 total cpu time spent up to now is 159.7 secs Computing kpt #: 93 total cpu time spent up to now is 160.8 secs Computing kpt #: 94 total cpu time spent up to now is 161.8 secs Computing kpt #: 95 total cpu time spent up to now is 162.9 secs Computing kpt #: 96 total cpu time spent up to now is 164.7 secs Computing kpt #: 97 total cpu time spent up to now is 166.1 secs Computing kpt #: 98 total cpu time spent up to now is 167.8 secs Computing kpt #: 99 total cpu time spent up to now is 169.5 secs Computing kpt #: 100 total cpu time spent up to now is 171.1 secs Computing kpt #: 101 total cpu time spent up to now is 172.1 secs Computing kpt #: 102 total cpu time spent up to now is 173.1 secs Computing kpt #: 103 total cpu time spent up to now is 174.3 secs Computing kpt #: 104 total cpu time spent up to now is 175.5 secs Computing kpt #: 105 total cpu time spent up to now is 176.4 secs Computing kpt #: 106 total cpu time spent up to now is 177.2 secs Computing kpt #: 107 total cpu time spent up to now is 178.1 secs Computing kpt #: 108 total cpu time spent up to now is 179.0 secs Computing kpt #: 109 total cpu time spent up to now is 179.9 secs Computing kpt #: 110 total cpu time spent up to now is 180.9 secs Computing kpt #: 111 total cpu time spent up to now is 181.8 secs Computing kpt #: 112 total cpu time spent up to now is 183.3 secs Computing kpt #: 113 total cpu time spent up to now is 184.5 secs Computing kpt #: 114 total cpu time spent up to now is 185.7 secs Computing kpt #: 115 total cpu time spent up to now is 187.0 secs Computing kpt #: 116 total cpu time spent up to now is 188.2 secs Computing kpt #: 117 total cpu time spent up to now is 189.4 secs Computing kpt #: 118 total cpu time spent up to now is 190.5 secs Computing kpt #: 119 total cpu time spent up to now is 191.7 secs Computing kpt #: 120 total cpu time spent up to now is 192.6 secs Computing kpt #: 121 total cpu time spent up to now is 193.6 secs Computing kpt #: 122 total cpu time spent up to now is 194.5 secs Computing kpt #: 123 total cpu time spent up to now is 195.6 secs Computing kpt #: 124 total cpu time spent up to now is 196.7 secs Computing kpt #: 125 total cpu time spent up to now is 197.7 secs Computing kpt #: 126 total cpu time spent up to now is 198.6 secs Computing kpt #: 127 total cpu time spent up to now is 199.5 secs Computing kpt #: 128 total cpu time spent up to now is 200.3 secs Computing kpt #: 129 total cpu time spent up to now is 201.2 secs Computing kpt #: 130 total cpu time spent up to now is 202.6 secs Computing kpt #: 131 total cpu time spent up to now is 203.6 secs Computing kpt #: 132 total cpu time spent up to now is 205.1 secs Computing kpt #: 133 total cpu time spent up to now is 206.0 secs Computing kpt #: 134 total cpu time spent up to now is 207.3 secs Computing kpt #: 135 total cpu time spent up to now is 208.6 secs Computing kpt #: 136 total cpu time spent up to now is 209.5 secs Computing kpt #: 137 total cpu time spent up to now is 210.4 secs Computing kpt #: 138 total cpu time spent up to now is 211.4 secs Computing kpt #: 139 total cpu time spent up to now is 212.7 secs Computing kpt #: 140 total cpu time spent up to now is 214.1 secs Computing kpt #: 141 total cpu time spent up to now is 215.0 secs Computing kpt #: 142 total cpu time spent up to now is 216.2 secs Computing kpt #: 143 total cpu time spent up to now is 217.5 secs Computing kpt #: 144 total cpu time spent up to now is 219.1 secs Computing kpt #: 145 total cpu time spent up to now is 220.0 secs Computing kpt #: 146 total cpu time spent up to now is 220.9 secs Computing kpt #: 147 total cpu time spent up to now is 221.8 secs Computing kpt #: 148 total cpu time spent up to now is 222.7 secs Computing kpt #: 149 total cpu time spent up to now is 223.6 secs Computing kpt #: 150 total cpu time spent up to now is 224.5 secs Computing kpt #: 151 total cpu time spent up to now is 225.5 secs Computing kpt #: 152 total cpu time spent up to now is 227.8 secs Computing kpt #: 153 total cpu time spent up to now is 229.8 secs Computing kpt #: 154 total cpu time spent up to now is 231.2 secs Computing kpt #: 155 total cpu time spent up to now is 232.1 secs Computing kpt #: 156 total cpu time spent up to now is 233.0 secs Computing kpt #: 157 total cpu time spent up to now is 233.9 secs Computing kpt #: 158 total cpu time spent up to now is 234.8 secs Computing kpt #: 159 total cpu time spent up to now is 235.8 secs Computing kpt #: 160 total cpu time spent up to now is 236.7 secs Computing kpt #: 161 total cpu time spent up to now is 237.9 secs Computing kpt #: 162 total cpu time spent up to now is 239.3 secs Computing kpt #: 163 total cpu time spent up to now is 240.6 secs Computing kpt #: 164 total cpu time spent up to now is 242.0 secs Computing kpt #: 165 total cpu time spent up to now is 243.1 secs Computing kpt #: 166 total cpu time spent up to now is 245.2 secs Computing kpt #: 167 total cpu time spent up to now is 246.7 secs Computing kpt #: 168 total cpu time spent up to now is 247.7 secs Computing kpt #: 169 total cpu time spent up to now is 248.6 secs Computing kpt #: 170 total cpu time spent up to now is 249.6 secs Computing kpt #: 171 total cpu time spent up to now is 250.5 secs Computing kpt #: 172 total cpu time spent up to now is 251.5 secs Computing kpt #: 173 total cpu time spent up to now is 254.0 secs Computing kpt #: 174 total cpu time spent up to now is 255.1 secs Computing kpt #: 175 total cpu time spent up to now is 256.5 secs Computing kpt #: 176 total cpu time spent up to now is 257.8 secs Computing kpt #: 177 total cpu time spent up to now is 259.8 secs Computing kpt #: 178 total cpu time spent up to now is 261.3 secs Computing kpt #: 179 total cpu time spent up to now is 262.7 secs Computing kpt #: 180 total cpu time spent up to now is 264.0 secs Computing kpt #: 181 total cpu time spent up to now is 265.0 secs Computing kpt #: 182 total cpu time spent up to now is 266.3 secs Computing kpt #: 183 total cpu time spent up to now is 267.9 secs Computing kpt #: 184 total cpu time spent up to now is 268.8 secs Computing kpt #: 185 total cpu time spent up to now is 269.7 secs Computing kpt #: 186 total cpu time spent up to now is 270.7 secs Computing kpt #: 187 total cpu time spent up to now is 271.6 secs Computing kpt #: 188 total cpu time spent up to now is 272.9 secs Computing kpt #: 189 total cpu time spent up to now is 273.8 secs Computing kpt #: 190 total cpu time spent up to now is 274.9 secs Computing kpt #: 191 total cpu time spent up to now is 275.9 secs Computing kpt #: 192 total cpu time spent up to now is 277.0 secs Computing kpt #: 193 total cpu time spent up to now is 278.0 secs Computing kpt #: 194 total cpu time spent up to now is 279.0 secs Computing kpt #: 195 total cpu time spent up to now is 280.0 secs Computing kpt #: 196 total cpu time spent up to now is 282.1 secs Computing kpt #: 197 total cpu time spent up to now is 283.2 secs Computing kpt #: 198 total cpu time spent up to now is 284.4 secs Computing kpt #: 199 total cpu time spent up to now is 285.3 secs Computing kpt #: 200 total cpu time spent up to now is 286.2 secs Computing kpt #: 201 total cpu time spent up to now is 287.0 secs Computing kpt #: 202 total cpu time spent up to now is 288.2 secs Computing kpt #: 203 total cpu time spent up to now is 290.1 secs Computing kpt #: 204 total cpu time spent up to now is 291.0 secs Computing kpt #: 205 total cpu time spent up to now is 292.4 secs Computing kpt #: 206 total cpu time spent up to now is 293.4 secs Computing kpt #: 207 total cpu time spent up to now is 294.4 secs Computing kpt #: 208 total cpu time spent up to now is 296.9 secs Computing kpt #: 209 total cpu time spent up to now is 297.8 secs Computing kpt #: 210 total cpu time spent up to now is 299.9 secs Computing kpt #: 211 total cpu time spent up to now is 300.9 secs Computing kpt #: 212 total cpu time spent up to now is 302.2 secs Computing kpt #: 213 total cpu time spent up to now is 303.2 secs Computing kpt #: 214 total cpu time spent up to now is 304.6 secs Computing kpt #: 215 total cpu time spent up to now is 305.5 secs Computing kpt #: 216 total cpu time spent up to now is 306.4 secs Computing kpt #: 217 total cpu time spent up to now is 307.3 secs Computing kpt #: 218 total cpu time spent up to now is 308.2 secs Computing kpt #: 219 total cpu time spent up to now is 309.1 secs Computing kpt #: 220 total cpu time spent up to now is 310.0 secs Computing kpt #: 221 total cpu time spent up to now is 311.6 secs Computing kpt #: 222 total cpu time spent up to now is 313.2 secs Computing kpt #: 223 total cpu time spent up to now is 314.5 secs Computing kpt #: 224 total cpu time spent up to now is 316.4 secs Computing kpt #: 225 total cpu time spent up to now is 318.1 secs Computing kpt #: 226 total cpu time spent up to now is 320.1 secs Computing kpt #: 227 total cpu time spent up to now is 321.1 secs Computing kpt #: 228 total cpu time spent up to now is 322.0 secs Computing kpt #: 229 total cpu time spent up to now is 322.9 secs Computing kpt #: 230 total cpu time spent up to now is 323.8 secs Computing kpt #: 231 total cpu time spent up to now is 324.7 secs Computing kpt #: 232 total cpu time spent up to now is 325.6 secs Computing kpt #: 233 total cpu time spent up to now is 326.4 secs Computing kpt #: 234 total cpu time spent up to now is 327.4 secs Computing kpt #: 235 total cpu time spent up to now is 328.8 secs Computing kpt #: 236 total cpu time spent up to now is 330.0 secs Computing kpt #: 237 total cpu time spent up to now is 331.5 secs Computing kpt #: 238 total cpu time spent up to now is 332.6 secs Computing kpt #: 239 total cpu time spent up to now is 333.5 secs Computing kpt #: 240 total cpu time spent up to now is 334.3 secs Computing kpt #: 241 total cpu time spent up to now is 335.2 secs Computing kpt #: 242 total cpu time spent up to now is 336.1 secs Computing kpt #: 243 total cpu time spent up to now is 337.0 secs Computing kpt #: 244 total cpu time spent up to now is 337.9 secs Computing kpt #: 245 total cpu time spent up to now is 338.8 secs Computing kpt #: 246 total cpu time spent up to now is 339.6 secs Computing kpt #: 247 total cpu time spent up to now is 340.5 secs Computing kpt #: 248 total cpu time spent up to now is 342.2 secs Computing kpt #: 249 total cpu time spent up to now is 343.1 secs Computing kpt #: 250 total cpu time spent up to now is 344.1 secs Computing kpt #: 251 total cpu time spent up to now is 345.0 secs Computing kpt #: 252 total cpu time spent up to now is 346.0 secs Computing kpt #: 253 total cpu time spent up to now is 347.3 secs Computing kpt #: 254 total cpu time spent up to now is 349.1 secs Computing kpt #: 255 total cpu time spent up to now is 350.1 secs Computing kpt #: 256 total cpu time spent up to now is 351.2 secs Computing kpt #: 257 total cpu time spent up to now is 352.4 secs Computing kpt #: 258 total cpu time spent up to now is 353.9 secs Computing kpt #: 259 total cpu time spent up to now is 355.0 secs Computing kpt #: 260 total cpu time spent up to now is 356.0 secs Computing kpt #: 261 total cpu time spent up to now is 356.9 secs Computing kpt #: 262 total cpu time spent up to now is 357.8 secs Computing kpt #: 263 total cpu time spent up to now is 358.7 secs Computing kpt #: 264 total cpu time spent up to now is 359.6 secs Computing kpt #: 265 total cpu time spent up to now is 361.1 secs Computing kpt #: 266 total cpu time spent up to now is 362.3 secs Computing kpt #: 267 total cpu time spent up to now is 363.4 secs Computing kpt #: 268 total cpu time spent up to now is 365.3 secs Computing kpt #: 269 total cpu time spent up to now is 366.7 secs Computing kpt #: 270 total cpu time spent up to now is 367.7 secs Computing kpt #: 271 total cpu time spent up to now is 368.8 secs Computing kpt #: 272 total cpu time spent up to now is 369.8 secs Computing kpt #: 273 total cpu time spent up to now is 370.7 secs Computing kpt #: 274 total cpu time spent up to now is 372.0 secs Computing kpt #: 275 total cpu time spent up to now is 373.0 secs Computing kpt #: 276 total cpu time spent up to now is 374.2 secs Computing kpt #: 277 total cpu time spent up to now is 375.3 secs Computing kpt #: 278 total cpu time spent up to now is 376.3 secs Computing kpt #: 279 total cpu time spent up to now is 377.2 secs Computing kpt #: 280 total cpu time spent up to now is 378.1 secs Computing kpt #: 281 total cpu time spent up to now is 379.1 secs Computing kpt #: 282 total cpu time spent up to now is 380.0 secs Computing kpt #: 283 total cpu time spent up to now is 381.7 secs Computing kpt #: 284 total cpu time spent up to now is 382.8 secs Computing kpt #: 285 total cpu time spent up to now is 383.8 secs Computing kpt #: 286 total cpu time spent up to now is 385.2 secs Computing kpt #: 287 total cpu time spent up to now is 386.8 secs Computing kpt #: 288 total cpu time spent up to now is 388.2 secs Computing kpt #: 289 total cpu time spent up to now is 390.4 secs Computing kpt #: 290 total cpu time spent up to now is 392.5 secs Computing kpt #: 291 total cpu time spent up to now is 394.6 secs Computing kpt #: 292 total cpu time spent up to now is 395.7 secs Computing kpt #: 293 total cpu time spent up to now is 396.6 secs Computing kpt #: 294 total cpu time spent up to now is 397.6 secs Computing kpt #: 295 total cpu time spent up to now is 398.5 secs Computing kpt #: 296 total cpu time spent up to now is 399.4 secs Computing kpt #: 297 total cpu time spent up to now is 400.4 secs Computing kpt #: 298 total cpu time spent up to now is 401.3 secs Computing kpt #: 299 total cpu time spent up to now is 403.0 secs Computing kpt #: 300 total cpu time spent up to now is 404.1 secs Computing kpt #: 301 total cpu time spent up to now is 405.6 secs Computing kpt #: 302 total cpu time spent up to now is 407.1 secs Computing kpt #: 303 total cpu time spent up to now is 409.3 secs Computing kpt #: 304 total cpu time spent up to now is 410.7 secs Computing kpt #: 305 total cpu time spent up to now is 411.6 secs Computing kpt #: 306 total cpu time spent up to now is 412.5 secs Computing kpt #: 307 total cpu time spent up to now is 413.4 secs Computing kpt #: 308 total cpu time spent up to now is 414.5 secs Computing kpt #: 309 total cpu time spent up to now is 415.8 secs Computing kpt #: 310 total cpu time spent up to now is 417.6 secs Computing kpt #: 311 total cpu time spent up to now is 418.8 secs Computing kpt #: 312 total cpu time spent up to now is 420.1 secs Computing kpt #: 313 total cpu time spent up to now is 421.0 secs Computing kpt #: 314 total cpu time spent up to now is 421.9 secs Computing kpt #: 315 total cpu time spent up to now is 422.8 secs Computing kpt #: 316 total cpu time spent up to now is 423.7 secs Computing kpt #: 317 total cpu time spent up to now is 424.6 secs Computing kpt #: 318 total cpu time spent up to now is 425.5 secs Computing kpt #: 319 total cpu time spent up to now is 426.4 secs Computing kpt #: 320 total cpu time spent up to now is 428.1 secs Computing kpt #: 321 total cpu time spent up to now is 429.1 secs Computing kpt #: 322 total cpu time spent up to now is 431.2 secs Computing kpt #: 323 total cpu time spent up to now is 434.0 secs Computing kpt #: 324 total cpu time spent up to now is 435.5 secs Computing kpt #: 325 total cpu time spent up to now is 437.5 secs Computing kpt #: 326 total cpu time spent up to now is 438.6 secs Computing kpt #: 327 total cpu time spent up to now is 439.9 secs Computing kpt #: 328 total cpu time spent up to now is 441.0 secs Computing kpt #: 329 total cpu time spent up to now is 442.9 secs Computing kpt #: 330 total cpu time spent up to now is 444.1 secs Computing kpt #: 331 total cpu time spent up to now is 445.1 secs Computing kpt #: 332 total cpu time spent up to now is 446.1 secs Computing kpt #: 333 total cpu time spent up to now is 447.0 secs Computing kpt #: 334 total cpu time spent up to now is 447.9 secs Computing kpt #: 335 total cpu time spent up to now is 448.8 secs Computing kpt #: 336 total cpu time spent up to now is 449.9 secs Computing kpt #: 337 total cpu time spent up to now is 451.4 secs Computing kpt #: 338 total cpu time spent up to now is 452.5 secs Computing kpt #: 339 total cpu time spent up to now is 454.0 secs Computing kpt #: 340 total cpu time spent up to now is 455.2 secs Computing kpt #: 341 total cpu time spent up to now is 456.4 secs Computing kpt #: 342 total cpu time spent up to now is 457.5 secs Computing kpt #: 343 total cpu time spent up to now is 459.2 secs Computing kpt #: 344 total cpu time spent up to now is 460.6 secs Computing kpt #: 345 total cpu time spent up to now is 462.1 secs Computing kpt #: 346 total cpu time spent up to now is 463.2 secs Computing kpt #: 347 total cpu time spent up to now is 464.2 secs Computing kpt #: 348 total cpu time spent up to now is 465.3 secs Computing kpt #: 349 total cpu time spent up to now is 466.5 secs Computing kpt #: 350 total cpu time spent up to now is 467.6 secs Computing kpt #: 351 total cpu time spent up to now is 468.8 secs Computing kpt #: 352 total cpu time spent up to now is 469.9 secs Computing kpt #: 353 total cpu time spent up to now is 472.0 secs Computing kpt #: 354 total cpu time spent up to now is 473.1 secs Computing kpt #: 355 total cpu time spent up to now is 474.2 secs ethr = 3.85E-11, avg # of iterations = 18.5 total cpu time spent up to now is 474.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2253 PWs) bands (ev): -39.8767 -39.8767 -19.0847 -19.0847 -17.4495 -17.4495 -17.1195 -17.1195 -8.3387 -8.3387 -7.4957 -7.4957 1.9904 1.9904 4.9959 4.9959 5.0963 5.0963 5.1973 5.1973 5.2153 5.2153 5.3022 5.3022 8.9287 8.9287 10.8582 10.8582 10.9262 10.9262 11.6429 11.6429 11.7080 11.7080 k = 0.0091-0.0164-0.0099 ( 2253 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4496 -17.4496 -17.1198 -17.1198 -8.3380 -8.3380 -7.4956 -7.4956 1.9915 1.9915 4.9937 4.9950 5.0947 5.0947 5.1856 5.1956 5.2142 5.2229 5.3019 5.3019 8.9292 8.9293 10.8576 10.8577 10.9257 10.9257 11.6436 11.6436 11.7085 11.7086 k = 0.0182-0.0328-0.0198 ( 2253 PWs) bands (ev): -39.8765 -39.8765 -19.0850 -19.0849 -17.4498 -17.4497 -17.1208 -17.1208 -8.3359 -8.3358 -7.4954 -7.4954 1.9948 1.9948 4.9879 4.9907 5.0899 5.0902 5.1691 5.1808 5.2189 5.2282 5.3010 5.3011 8.9308 8.9310 10.8557 10.8559 10.9247 10.9247 11.6455 11.6455 11.7104 11.7106 k = 0.0273-0.0492-0.0296 ( 2252 PWs) bands (ev): -39.8763 -39.8763 -19.0854 -19.0853 -17.4502 -17.4500 -17.1223 -17.1223 -8.3323 -8.3322 -7.4951 -7.4950 2.0004 2.0004 4.9778 4.9822 5.0826 5.0838 5.1494 5.1615 5.2213 5.2302 5.2996 5.2997 8.9335 8.9338 10.8514 10.8519 10.9242 10.9243 11.6484 11.6485 11.7140 11.7141 k = 0.0364-0.0655-0.0395 ( 2250 PWs) bands (ev): -39.8759 -39.8759 -19.0860 -19.0858 -17.4506 -17.4504 -17.1244 -17.1244 -8.3273 -8.3272 -7.4945 -7.4945 2.0081 2.0081 4.9622 4.9683 5.0732 5.0761 5.1276 5.1391 5.2203 5.2286 5.2976 5.2976 8.9372 8.9375 10.8438 10.8446 10.9255 10.9258 11.6518 11.6521 11.7195 11.7196 k = 0.0455-0.0819-0.0494 ( 2253 PWs) bands (ev): -39.8756 -39.8756 -19.0867 -19.0865 -17.4513 -17.4510 -17.1272 -17.1272 -8.3210 -8.3208 -7.4939 -7.4938 2.0180 2.0180 4.9403 4.9478 5.0610 5.0670 5.1060 5.1154 5.2161 5.2238 5.2947 5.2948 8.9418 8.9421 10.8323 10.8333 10.9295 10.9301 11.6555 11.6560 11.7273 11.7276 k = 0.0545-0.0983-0.0593 ( 2253 PWs) bands (ev): -39.8751 -39.8751 -19.0875 -19.0873 -17.4520 -17.4517 -17.1305 -17.1305 -8.3132 -8.3130 -7.4931 -7.4930 2.0299 2.0300 4.9118 4.9202 5.0426 5.0530 5.0889 5.0943 5.2088 5.2160 5.2910 5.2911 8.9471 8.9474 10.8170 10.8182 10.9366 10.9375 11.6591 11.6599 11.7379 11.7385 k = 0.0636-0.1147-0.0692 ( 2259 PWs) bands (ev): -39.8746 -39.8746 -19.0885 -19.0883 -17.4529 -17.4525 -17.1343 -17.1343 -8.3041 -8.3038 -7.4922 -7.4921 2.0440 2.0440 4.8768 4.8856 5.0156 5.0288 5.0788 5.0816 5.1988 5.2056 5.2861 5.2863 8.9529 8.9533 10.7986 10.7999 10.9466 10.9478 11.6626 11.6637 11.7513 11.7523 k = 0.0727-0.1311-0.0791 ( 2256 PWs) bands (ev): -39.8739 -39.8739 -19.0897 -19.0894 -17.4539 -17.4534 -17.1387 -17.1387 -8.2936 -8.2933 -7.4911 -7.4910 2.0600 2.0601 4.8357 4.8446 4.9824 4.9960 5.0733 5.0755 5.1864 5.1928 5.2800 5.2804 8.9591 8.9594 10.7779 10.7792 10.9594 10.9607 11.6662 11.6675 11.7676 11.7688 k = 0.0818-0.1475-0.0889 ( 2256 PWs) bands (ev): -39.8732 -39.8732 -19.0910 -19.0907 -17.4550 -17.4545 -17.1436 -17.1435 -8.2819 -8.2815 -7.4899 -7.4897 2.0780 2.0781 4.7892 4.7978 4.9450 4.9581 5.0701 5.0724 5.1719 5.1781 5.2727 5.2731 8.9653 8.9657 10.7557 10.7569 10.9747 10.9762 11.6702 11.6716 11.7864 11.7880 k = 0.0909-0.1639-0.0988 ( 2260 PWs) bands (ev): -39.8725 -39.8725 -19.0925 -19.0922 -17.4563 -17.4557 -17.1489 -17.1489 -8.2688 -8.2684 -7.4885 -7.4883 2.0978 2.0980 4.7377 4.7459 4.9043 4.9167 5.0678 5.0704 5.1556 5.1618 5.2642 5.2647 8.9713 8.9716 10.7327 10.7338 10.9924 10.9940 11.6747 11.6762 11.8076 11.8094 k = 0.1000-0.1802-0.1087 ( 2264 PWs) bands (ev): -39.8716 -39.8716 -19.0941 -19.0938 -17.4577 -17.4571 -17.1546 -17.1546 -8.2546 -8.2541 -7.4870 -7.4868 2.1194 2.1196 4.6819 4.6895 4.8608 4.8724 5.0656 5.0688 5.1380 5.1442 5.2545 5.2551 8.9768 8.9771 10.7098 10.7108 11.0125 11.0142 11.6800 11.6816 11.8309 11.8329 k = 0.1091-0.1966-0.1186 ( 2262 PWs) bands (ev): -39.8707 -39.8707 -19.0959 -19.0955 -17.4593 -17.4586 -17.1608 -17.1608 -8.2391 -8.2386 -7.4854 -7.4852 2.1426 2.1429 4.6221 4.6292 4.8148 4.8256 5.0627 5.0665 5.1197 5.1263 5.2438 5.2444 8.9815 8.9817 10.6878 10.6886 11.0349 11.0367 11.6863 11.6879 11.8560 11.8583 k = 0.1182-0.2130-0.1285 ( 2258 PWs) bands (ev): -39.8697 -39.8697 -19.0979 -19.0974 -17.4610 -17.4603 -17.1673 -17.1672 -8.2225 -8.2219 -7.4837 -7.4834 2.1674 2.1678 4.5590 4.5655 4.7664 4.7764 5.0574 5.0618 5.1025 5.1094 5.2321 5.2328 8.9850 8.9851 10.6674 10.6680 11.0596 11.0616 11.6938 11.6954 11.8828 11.8853 k = 0.1273-0.2294-0.1384 ( 2259 PWs) bands (ev): -39.8686 -39.8686 -19.1000 -19.0995 -17.4629 -17.4621 -17.1741 -17.1740 -8.2049 -8.2042 -7.4819 -7.4815 2.1937 2.1941 4.4929 4.4989 4.7158 4.7252 5.0475 5.0514 5.0897 5.0958 5.2198 5.2205 8.9869 8.9869 10.6494 10.6498 11.0867 11.0887 11.7025 11.7041 11.9110 11.9136 k = 0.1364-0.2458-0.1482 ( 2261 PWs) bands (ev): -39.8675 -39.8675 -19.1022 -19.1017 -17.4649 -17.4641 -17.1812 -17.1811 -8.1861 -8.1854 -7.4799 -7.4795 2.2212 2.2217 4.4244 4.4299 4.6633 4.6721 5.0312 5.0336 5.0827 5.0870 5.2069 5.2077 8.9868 8.9869 10.6344 10.6346 11.1161 11.1182 11.7124 11.7140 11.9403 11.9431 k = 0.1455-0.2622-0.1581 ( 2264 PWs) bands (ev): -39.8664 -39.8664 -19.1046 -19.1041 -17.4671 -17.4663 -17.1885 -17.1884 -8.1664 -8.1656 -7.4779 -7.4774 2.2499 2.2505 4.3539 4.3589 4.6089 4.6173 5.0100 5.0112 5.0787 5.0815 5.1939 5.1948 8.9845 8.9846 10.6232 10.6233 11.1478 11.1501 11.7236 11.7253 11.9706 11.9735 k = 0.1545-0.2786-0.1680 ( 2260 PWs) bands (ev): -39.8651 -39.8651 -19.1072 -19.1066 -17.4695 -17.4686 -17.1959 -17.1958 -8.1457 -8.1448 -7.4757 -7.4752 2.2796 2.2804 4.2817 4.2863 4.5530 4.5610 4.9859 4.9863 5.0754 5.0771 5.1810 5.1821 8.9797 8.9800 10.6163 10.6164 11.1820 11.1843 11.7362 11.7378 12.0016 12.0047 k = 0.1636-0.2949-0.1779 ( 2260 PWs) bands (ev): -39.8639 -39.8639 -19.1099 -19.1093 -17.4721 -17.4711 -17.2035 -17.2034 -8.1242 -8.1232 -7.4734 -7.4728 2.3101 2.3111 4.2083 4.2126 4.4957 4.5033 4.9600 4.9601 5.0713 5.0724 5.1689 5.1701 8.9723 8.9726 10.6142 10.6145 11.2186 11.2210 11.7499 11.7516 12.0332 12.0364 k = 0.1727-0.3113-0.1878 ( 2259 PWs) bands (ev): -39.8625 -39.8625 -19.1127 -19.1121 -17.4748 -17.4738 -17.2112 -17.2110 -8.1019 -8.1008 -7.4711 -7.4704 2.3413 2.3424 4.1341 4.1380 4.4372 4.4446 4.9328 4.9331 5.0658 5.0663 5.1581 5.1593 8.9622 8.9626 10.6174 10.6178 11.2575 11.2600 11.7649 11.7666 12.0652 12.0685 k = 0.1818-0.3277-0.1977 ( 2262 PWs) bands (ev): -39.8612 -39.8612 -19.1157 -19.1151 -17.4777 -17.4767 -17.2188 -17.2186 -8.0788 -8.0776 -7.4687 -7.4678 2.3730 2.3743 4.0593 4.0630 4.3777 4.3849 4.9048 4.9053 5.0582 5.0583 5.1490 5.1503 8.9494 8.9498 10.6263 10.6267 11.2989 11.3014 11.7809 11.7827 12.0973 12.1008 k = 0.1909-0.3441-0.2075 ( 2268 PWs) bands (ev): -39.8598 -39.8598 -19.1188 -19.1182 -17.4809 -17.4798 -17.2265 -17.2263 -8.0550 -8.0537 -7.4662 -7.4652 2.4049 2.4064 3.9844 3.9878 4.3175 4.3245 4.8763 4.8768 5.0481 5.0483 5.1419 5.1433 8.9340 8.9344 10.6409 10.6413 11.3426 11.3452 11.7978 11.7998 12.1294 12.1331 k = 0.2000-0.3605-0.2174 ( 2266 PWs) bands (ev): -39.8584 -39.8584 -19.1220 -19.1214 -17.4842 -17.4831 -17.2340 -17.2338 -8.0306 -8.0292 -7.4636 -7.4625 2.4368 2.4385 3.9098 3.9129 4.2567 4.2636 4.8474 4.8480 5.0357 5.0361 5.1367 5.1381 8.9162 8.9166 10.6612 10.6617 11.3887 11.3914 11.8157 11.8177 12.1614 12.1652 k = 0.2091-0.3769-0.2273 ( 2266 PWs) bands (ev): -39.8569 -39.8569 -19.1254 -19.1247 -17.4878 -17.4866 -17.2414 -17.2412 -8.0057 -8.0042 -7.4610 -7.4598 2.4684 2.4704 3.8357 3.8386 4.1957 4.2025 4.8182 4.8189 5.0216 5.0221 5.1332 5.1345 8.8963 8.8967 10.6874 10.6877 11.4372 11.4399 11.8343 11.8365 12.1931 12.1970 k = 0.2182-0.3932-0.2372 ( 2266 PWs) bands (ev): -39.8555 -39.8555 -19.1288 -19.1282 -17.4915 -17.4903 -17.2487 -17.2484 -7.9804 -7.9787 -7.4583 -7.4569 2.4994 2.5017 3.7625 3.7653 4.1345 4.1414 4.7890 4.7897 5.0061 5.0067 5.1308 5.1321 8.8746 8.8751 10.7190 10.7193 11.4880 11.4908 11.8534 11.8558 12.2243 12.2283 k = 0.2273-0.4096-0.2471 ( 2270 PWs) bands (ev): -39.8540 -39.8540 -19.1324 -19.1317 -17.4955 -17.4942 -17.2558 -17.2555 -7.9547 -7.9528 -7.4556 -7.4541 2.5295 2.5321 3.6907 3.6934 4.0735 4.0804 4.7597 4.7605 4.9897 4.9904 5.1292 5.1305 8.8515 8.8520 10.7561 10.7562 11.5410 11.5438 11.8731 11.8757 12.2548 12.2590 k = 0.2364-0.4260-0.2570 ( 2268 PWs) bands (ev): -39.8525 -39.8525 -19.1360 -19.1354 -17.4996 -17.4984 -17.2626 -17.2623 -7.9286 -7.9266 -7.4528 -7.4511 2.5582 2.5612 3.6207 3.6232 4.0128 4.0199 4.7306 4.7313 4.9727 4.9735 5.1282 5.1294 8.8276 8.8280 10.7981 10.7982 11.5962 11.5991 11.8930 11.8960 12.2847 12.2890 k = 0.2455-0.4424-0.2668 ( 2268 PWs) bands (ev): -39.8510 -39.8510 -19.1398 -19.1391 -17.5040 -17.5027 -17.2691 -17.2688 -7.9024 -7.9002 -7.4500 -7.4481 2.5852 2.5886 3.5529 3.5553 3.9528 3.9600 4.7016 4.7023 4.9553 4.9562 5.1275 5.1286 8.8030 8.8034 10.8448 10.8451 11.6535 11.6564 11.9133 11.9165 12.3138 12.3182 k = 0.2545-0.4588-0.2767 ( 2267 PWs) bands (ev): -39.8494 -39.8494 -19.1436 -19.1429 -17.5085 -17.5073 -17.2753 -17.2750 -7.8760 -7.8736 -7.4472 -7.4451 2.6097 2.6135 3.4879 3.4902 3.8936 3.9010 4.6729 4.6736 4.9378 4.9388 5.1269 5.1279 8.7783 8.7786 10.8959 10.8964 11.7127 11.7156 11.9336 11.9373 12.3419 12.3465 k = 0.2636-0.4752-0.2866 ( 2268 PWs) bands (ev): -39.8479 -39.8479 -19.1475 -19.1468 -17.5133 -17.5120 -17.2812 -17.2809 -7.8496 -7.8470 -7.4444 -7.4421 2.6312 2.6354 3.4263 3.4286 3.8354 3.8431 4.6446 4.6453 4.9203 4.9214 5.1264 5.1274 8.7538 8.7541 10.9510 10.9519 11.7736 11.7765 11.9541 11.9582 12.3690 12.3739 k = 0.2727-0.4916-0.2965 ( 2270 PWs) bands (ev): -39.8464 -39.8464 -19.1514 -19.1507 -17.5182 -17.5169 -17.2868 -17.2865 -7.8232 -7.8203 -7.4416 -7.4391 2.6488 2.6534 3.3689 3.3712 3.7787 3.7867 4.6167 4.6174 4.9030 4.9041 5.1260 5.1269 8.7298 8.7301 11.0099 11.0111 11.8360 11.8388 11.9747 11.9795 12.3950 12.4001 k = 0.2818-0.5079-0.3064 ( 2276 PWs) bands (ev): -39.8450 -39.8450 -19.1553 -19.1547 -17.5232 -17.5219 -17.2920 -17.2917 -7.7969 -7.7938 -7.4388 -7.4360 2.6616 2.6665 3.3165 3.3190 3.7236 3.7320 4.5894 4.5901 4.8858 4.8870 5.1255 5.1264 8.7067 8.7069 11.0721 11.0737 11.8992 11.9015 11.9958 12.0017 12.4199 12.4253 k = 0.2909-0.5243-0.3162 ( 2278 PWs) bands (ev): -39.8435 -39.8435 -19.1593 -19.1586 -17.5283 -17.5270 -17.2969 -17.2966 -7.7708 -7.7675 -7.4360 -7.4330 2.6685 2.6738 3.2698 3.2727 3.6704 3.6794 4.5627 4.5634 4.8689 4.8703 5.1250 5.1259 8.6847 8.6849 11.1374 11.1394 11.9609 11.9620 12.0194 12.0272 12.4436 12.4494 k = 0.3000-0.5407-0.3261 ( 2275 PWs) bands (ev): -39.8420 -39.8420 -19.1632 -19.1626 -17.5335 -17.5323 -17.3014 -17.3011 -7.7450 -7.7414 -7.4333 -7.4299 2.6687 2.6741 3.2297 3.2331 3.6197 3.6292 4.5366 4.5373 4.8524 4.8539 5.1244 5.1252 8.6640 8.6642 11.2054 11.2077 12.0110 12.0111 12.0555 12.0652 12.4662 12.4724 k = 0.3091-0.5571-0.3360 ( 2277 PWs) bands (ev): -39.8406 -39.8406 -19.1672 -19.1666 -17.5387 -17.5375 -17.3056 -17.3053 -7.7196 -7.7157 -7.4306 -7.4269 2.6616 2.6670 3.1964 3.2006 3.5718 3.5819 4.5113 4.5120 4.8363 4.8379 5.1238 5.1246 8.6449 8.6450 11.2756 11.2784 12.0397 12.0413 12.1135 12.1225 12.4875 12.4943 k = 0.3182-0.5735-0.3459 ( 2279 PWs) bands (ev): -39.8392 -39.8392 -19.1711 -19.1705 -17.5440 -17.5428 -17.3094 -17.3091 -7.6947 -7.6904 -7.4280 -7.4239 2.6470 2.6523 3.1697 3.1748 3.5272 3.5381 4.4868 4.4875 4.8207 4.8223 5.1230 5.1238 8.6273 8.6274 11.3477 11.3509 12.0605 12.0634 12.1796 12.1884 12.5076 12.5152 k = 0.3273-0.5899-0.3558 ( 2282 PWs) bands (ev): -39.8378 -39.8378 -19.1750 -19.1744 -17.5493 -17.5481 -17.3129 -17.3126 -7.6703 -7.6657 -7.4254 -7.4210 2.6257 2.6307 3.1483 3.1545 3.4868 3.4983 4.4632 4.4638 4.8056 4.8073 5.1222 5.1229 8.6115 8.6115 11.4212 11.4250 12.0792 12.0830 12.2477 12.2570 12.5266 12.5351 k = 0.3364-0.6063-0.3657 ( 2280 PWs) bands (ev): -39.8365 -39.8365 -19.1788 -19.1782 -17.5545 -17.5534 -17.3161 -17.3158 -7.6466 -7.6416 -7.4229 -7.4181 2.5988 2.6035 3.1306 3.1379 3.4512 3.4634 4.4404 4.4410 4.7911 4.7929 5.1213 5.1220 8.5974 8.5974 11.4956 11.4999 12.0970 12.1015 12.3162 12.3266 12.5444 12.5544 k = 0.3455-0.6226-0.3755 ( 2280 PWs) bands (ev): -39.8352 -39.8352 -19.1825 -19.1820 -17.5596 -17.5586 -17.3190 -17.3187 -7.6236 -7.6181 -7.4205 -7.4152 2.5678 2.5722 3.1146 3.1228 3.4213 3.4339 4.4187 4.4192 4.7772 4.7791 5.1204 5.1210 8.5851 8.5851 11.5703 11.5753 12.1144 12.1196 12.3839 12.3964 12.5612 12.5735 k = 0.3545-0.6390-0.3854 ( 2274 PWs) bands (ev): -39.8339 -39.8339 -19.1861 -19.1856 -17.5646 -17.5636 -17.3217 -17.3214 -7.6015 -7.5955 -7.4182 -7.4124 2.5342 2.5381 3.0985 3.1072 3.3977 3.4104 4.3979 4.3985 4.7639 4.7658 5.1194 5.1200 8.5746 8.5746 11.6447 11.6503 12.1318 12.1377 12.4493 12.4656 12.5773 12.5934 k = 0.3636-0.6554-0.3953 ( 2278 PWs) bands (ev): -39.8328 -39.8328 -19.1897 -19.1892 -17.5695 -17.5685 -17.3240 -17.3238 -7.5803 -7.5737 -7.4160 -7.4097 2.4991 2.5027 3.0811 3.0900 3.3806 3.3930 4.3782 4.3787 4.7513 4.7533 5.1184 5.1190 8.5657 8.5657 11.7177 11.7240 12.1498 12.1563 12.5093 12.5324 12.5940 12.6170 k = 0.3727-0.6718-0.4052 ( 2273 PWs) bands (ev): -39.8316 -39.8316 -19.1930 -19.1926 -17.5742 -17.5733 -17.3261 -17.3259 -7.5600 -7.5529 -7.4140 -7.4070 2.4637 2.4670 3.0619 3.0705 3.3696 3.3813 4.3596 4.3601 4.7394 4.7414 5.1174 5.1179 8.5585 8.5585 11.7883 11.7953 12.1691 12.1763 12.5574 12.5859 12.6218 12.6502 k = 0.3818-0.6882-0.4151 ( 2270 PWs) bands (ev): -39.8306 -39.8306 -19.1962 -19.1958 -17.5787 -17.5778 -17.3280 -17.3278 -7.5408 -7.5331 -7.4120 -7.4044 2.4287 2.4316 3.0411 3.0490 3.3638 3.3744 4.3421 4.3426 4.7283 4.7302 5.1163 5.1168 8.5527 8.5528 11.8549 11.8626 12.1909 12.1987 12.5890 12.6081 12.6783 12.6973 k = 0.3909-0.7046-0.4250 ( 2270 PWs) bands (ev): -39.8296 -39.8296 -19.1993 -19.1989 -17.5830 -17.5822 -17.3297 -17.3295 -7.5228 -7.5144 -7.4102 -7.4019 2.3947 2.3974 3.0193 3.0264 3.3619 3.3714 4.3258 4.3262 4.7179 4.7198 5.1153 5.1157 8.5484 8.5484 11.9156 11.9238 12.2166 12.2248 12.6091 12.6210 12.7411 12.7530 k = 0.4000-0.7210-0.4348 ( 2270 PWs) bands (ev): -39.8286 -39.8286 -19.2022 -19.2018 -17.5870 -17.5862 -17.3312 -17.3310 -7.5061 -7.4969 -7.4086 -7.3994 2.3623 2.3648 2.9971 3.0034 3.3628 3.3712 4.3107 4.3111 4.7082 4.7101 5.1142 5.1147 8.5452 8.5453 11.9684 11.9766 12.2479 12.2561 12.6235 12.6316 12.8028 12.8108 k = 0.4091-0.7373-0.4447 ( 2273 PWs) bands (ev): -39.8278 -39.8278 -19.2048 -19.2045 -17.5907 -17.5900 -17.3325 -17.3323 -7.4906 -7.4806 -7.4071 -7.3971 2.3319 2.3341 2.9752 2.9807 3.3656 3.3729 4.2968 4.2971 4.6994 4.7011 5.1132 5.1136 8.5431 8.5432 12.0118 12.0195 12.2860 12.2936 12.6349 12.6408 12.8618 12.8676 k = 0.4182-0.7537-0.4546 ( 2277 PWs) bands (ev): -39.8270 -39.8270 -19.2073 -19.2070 -17.5941 -17.5935 -17.3336 -17.3334 -7.4765 -7.4656 -7.4057 -7.3948 2.3037 2.3056 2.9543 2.9590 3.3695 3.3758 4.2841 4.2845 4.6913 4.6930 5.1123 5.1126 8.5419 8.5420 12.0455 12.0522 12.3301 12.3367 12.6445 12.6489 12.9176 12.9218 k = 0.4273-0.7701-0.4645 ( 2276 PWs) bands (ev): -39.8263 -39.8263 -19.2096 -19.2093 -17.5972 -17.5967 -17.3346 -17.3344 -7.4639 -7.4520 -7.4045 -7.3927 2.2780 2.2797 2.9347 2.9387 3.3739 3.3793 4.2727 4.2731 4.6841 4.6857 5.1114 5.1117 8.5414 8.5415 12.0708 12.0763 12.3781 12.3835 12.6528 12.6561 12.9694 12.9726 k = 0.4364-0.7865-0.4744 ( 2277 PWs) bands (ev): -39.8257 -39.8257 -19.2116 -19.2113 -17.6000 -17.5995 -17.3354 -17.3353 -7.4526 -7.4399 -7.4034 -7.3907 2.2549 2.2564 2.9168 2.9202 3.3785 3.3830 4.2627 4.2629 4.6778 4.6792 5.1106 5.1109 8.5415 8.5416 12.0895 12.0939 12.4270 12.4313 12.6599 12.6626 13.0166 13.0191 k = 0.4455-0.8029-0.4843 ( 2279 PWs) bands (ev): -39.8251 -39.8251 -19.2133 -19.2131 -17.6024 -17.6020 -17.3361 -17.3360 -7.4429 -7.4294 -7.4024 -7.3889 2.2347 2.2359 2.9010 2.9038 3.3828 3.3866 4.2539 4.2541 4.6722 4.6735 5.1099 5.1101 8.5419 8.5420 12.1033 12.1067 12.4742 12.4774 12.6662 12.6683 13.0589 13.0607 k = 0.4545-0.8193-0.4941 ( 2277 PWs) bands (ev): -39.8246 -39.8246 -19.2148 -19.2146 -17.6045 -17.6042 -17.3367 -17.3366 -7.4346 -7.4207 -7.4011 -7.3873 2.2174 2.2184 2.8873 2.8895 3.3868 3.3899 4.2464 4.2467 4.6676 4.6686 5.1093 5.1095 8.5426 8.5426 12.1135 12.1162 12.5173 12.5197 12.6717 12.6734 13.0955 13.0969 k = 0.4636-0.8357-0.5040 ( 2281 PWs) bands (ev): -39.8243 -39.8243 -19.2160 -19.2159 -17.6062 -17.6059 -17.3371 -17.3371 -7.4277 -7.4145 -7.3993 -7.3861 2.2031 2.2040 2.8759 2.8777 3.3903 3.3927 4.2403 4.2405 4.6637 4.6646 5.1087 5.1089 8.5433 8.5434 12.1211 12.1230 12.5544 12.5561 12.6768 12.6780 13.1262 13.1273 k = 0.4727-0.8520-0.5139 ( 2287 PWs) bands (ev): -39.8240 -39.8240 -19.2170 -19.2169 -17.6075 -17.6073 -17.3375 -17.3374 -7.4221 -7.4110 -7.3963 -7.3853 2.1920 2.1926 2.8670 2.8683 3.3932 3.3949 4.2356 4.2357 4.6608 4.6615 5.1083 5.1085 8.5440 8.5441 12.1265 12.1279 12.5841 12.5853 12.6814 12.6823 13.1505 13.1513 k = 0.4818-0.8684-0.5238 ( 2289 PWs) bands (ev): -39.8238 -39.8238 -19.2177 -19.2176 -17.6085 -17.6083 -17.3377 -17.3377 -7.4177 -7.4099 -7.3929 -7.3852 2.1840 2.1844 2.8607 2.8615 3.3953 3.3965 4.2322 4.2323 4.6587 4.6592 5.1080 5.1081 8.5446 8.5446 12.1302 12.1311 12.6054 12.6061 12.6855 12.6862 13.1682 13.1686 k = 0.4909-0.8848-0.5337 ( 2289 PWs) bands (ev): -39.8237 -39.8237 -19.2181 -19.2181 -17.6090 -17.6089 -17.3379 -17.3379 -7.4143 -7.4104 -7.3897 -7.3858 2.1792 2.1795 2.8569 2.8574 3.3967 3.3973 4.2302 4.2302 4.6575 4.6577 5.1079 5.1079 8.5450 8.5450 12.1324 12.1328 12.6180 12.6183 12.6886 12.6889 13.1789 13.1791 k = 0.5000-0.9012-0.5436 ( 2286 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6092 -17.3379 -17.3379 -7.4119 -7.4119 -7.3873 -7.3873 2.1777 2.1777 2.8558 2.8558 3.3974 3.3974 4.2295 4.2295 4.6572 4.6572 5.1078 5.1078 8.5451 8.5451 12.1333 12.1333 12.6222 12.6222 12.6899 12.6899 13.1826 13.1826 k = 0.5000-0.9012-0.5436 ( 2286 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6092 -17.3379 -17.3379 -7.4119 -7.4119 -7.3873 -7.3873 2.1777 2.1777 2.8558 2.8558 3.3974 3.3974 4.2295 4.2295 4.6572 4.6572 5.1078 5.1078 8.5451 8.5451 12.1333 12.1333 12.6222 12.6222 12.6899 12.6899 13.1826 13.1826 k = 0.5000-0.8902-0.5618 ( 2288 PWs) bands (ev): -39.8236 -39.8236 -19.2195 -19.2169 -17.6100 -17.6082 -17.3392 -17.3372 -7.4124 -7.4111 -7.3876 -7.3865 2.1784 2.1795 2.8544 2.8570 3.3959 3.3993 4.2269 4.2300 4.6564 4.6573 5.1036 5.1058 8.5466 8.5481 12.1354 12.1357 12.6123 12.6281 12.6823 12.6963 13.1724 13.1846 k = 0.5000-0.8791-0.5801 ( 2290 PWs) bands (ev): -39.8236 -39.8236 -19.2209 -19.2156 -17.6105 -17.6070 -17.3411 -17.3370 -7.4126 -7.4100 -7.3876 -7.3853 2.1814 2.1838 2.8526 2.8579 3.3949 3.4016 4.2220 4.2283 4.6548 4.6566 5.0932 5.0977 8.5524 8.5555 12.1420 12.1428 12.5989 12.6288 12.6750 12.7012 13.1546 13.1788 k = 0.5000-0.8681-0.5984 ( 2284 PWs) bands (ev): -39.8235 -39.8235 -19.2222 -19.2143 -17.6109 -17.6055 -17.3434 -17.3373 -7.4125 -7.4088 -7.3873 -7.3837 2.1869 2.1904 2.8505 2.8586 3.3943 3.4044 4.2152 4.2246 4.6524 4.6552 5.0767 5.0834 8.5627 8.5673 12.1528 12.1542 12.5821 12.6222 12.6698 12.7044 13.1308 13.1662 k = 0.5000-0.8571-0.6167 ( 2280 PWs) bands (ev): -39.8233 -39.8233 -19.2235 -19.2130 -17.6110 -17.6039 -17.3463 -17.3382 -7.4120 -7.4075 -7.3866 -7.3815 2.1948 2.1995 2.8482 2.8588 3.3940 3.4075 4.2063 4.2190 4.6491 4.6529 5.0544 5.0632 8.5772 8.5833 12.1670 12.1696 12.5620 12.6079 12.6672 12.7059 13.1027 13.1485 k = 0.5000-0.8461-0.6350 ( 2278 PWs) bands (ev): -39.8232 -39.8232 -19.2249 -19.2118 -17.6110 -17.6020 -17.3496 -17.3396 -7.4113 -7.4061 -7.3855 -7.3787 2.2051 2.2109 2.8454 2.8588 3.3942 3.4109 4.1958 4.2117 4.6450 4.6498 5.0264 5.0373 8.5959 8.6034 12.1840 12.1884 12.5385 12.5873 12.6662 12.7060 13.0725 13.1275 k = 0.5000-0.8350-0.6532 ( 2276 PWs) bands (ev): -39.8230 -39.8230 -19.2262 -19.2106 -17.6107 -17.5999 -17.3534 -17.3416 -7.4103 -7.4048 -7.3841 -7.3754 2.2177 2.2247 2.8424 2.8584 3.3947 3.4147 4.1837 4.2030 4.6397 4.6457 4.9933 5.0061 8.6187 8.6275 12.2025 12.2097 12.5119 12.5617 12.6659 12.7048 13.0421 13.1051 k = 0.5000-0.8240-0.6715 ( 2274 PWs) bands (ev): -39.8228 -39.8228 -19.2275 -19.2094 -17.6103 -17.5976 -17.3577 -17.3441 -7.4091 -7.4035 -7.3823 -7.3714 2.2326 2.2409 2.8389 2.8575 3.3955 3.4187 4.1704 4.1931 4.6333 4.6406 4.9552 4.9699 8.6453 8.6554 12.2210 12.2323 12.4827 12.5318 12.6665 12.7031 13.0134 13.0828 k = 0.5000-0.8130-0.6898 ( 2272 PWs) bands (ev): -39.8226 -39.8226 -19.2288 -19.2082 -17.6097 -17.5951 -17.3623 -17.3470 -7.4077 -7.4022 -7.3800 -7.3669 2.2498 2.2593 2.8350 2.8562 3.3966 3.4228 4.1563 4.1824 4.6254 4.6345 4.9127 4.9293 8.6756 8.6870 12.2372 12.2543 12.4516 12.4982 12.6689 12.7016 12.9876 13.0618 k = 0.5000-0.8020-0.7081 ( 2270 PWs) bands (ev): -39.8224 -39.8224 -19.2301 -19.2071 -17.6089 -17.5924 -17.3673 -17.3505 -7.4062 -7.4010 -7.3774 -7.3619 2.2692 2.2799 2.8306 2.8544 3.3978 3.4271 4.1415 4.1711 4.6159 4.6272 4.8662 4.8848 8.7095 8.7220 12.2486 12.2733 12.4202 12.4613 12.6743 12.7022 12.9658 13.0427 k = 0.5000-0.7909-0.7264 ( 2276 PWs) bands (ev): -39.8221 -39.8221 -19.2314 -19.2060 -17.6079 -17.5894 -17.3726 -17.3544 -7.4047 -7.3999 -7.3742 -7.3563 2.2908 2.3027 2.8257 2.8520 3.3993 3.4313 4.1264 4.1595 4.6043 4.6188 4.8163 4.8373 8.7466 8.7603 12.2518 12.2859 12.3908 12.4222 12.6834 12.7070 12.9485 13.0258 k = 0.5000-0.7799-0.7447 ( 2278 PWs) bands (ev): -39.8219 -39.8219 -19.2326 -19.2050 -17.6068 -17.5863 -17.3782 -17.3587 -7.4032 -7.3988 -7.3706 -7.3504 2.3145 2.3277 2.8202 2.8490 3.4008 3.4356 4.1113 4.1478 4.5899 4.6091 4.7636 4.7877 8.7867 8.8016 12.2437 12.2887 12.3661 12.3829 12.6964 12.7179 12.9362 13.0116 k = 0.5000-0.7689-0.7629 ( 2280 PWs) bands (ev): -39.8216 -39.8216 -19.2339 -19.2040 -17.6055 -17.5830 -17.3841 -17.3634 -7.4018 -7.3978 -7.3666 -7.3440 2.3402 2.3547 2.8142 2.8454 3.4024 3.4396 4.0965 4.1365 4.5715 4.5979 4.7088 4.7379 8.8297 8.8456 12.2229 12.2796 12.3380 12.3543 12.7123 12.7348 12.9302 13.0004 k = 0.5000-0.7578-0.7812 ( 2282 PWs) bands (ev): -39.8213 -39.8213 -19.2351 -19.2031 -17.6042 -17.5795 -17.3901 -17.3685 -7.4004 -7.3968 -7.3622 -7.3373 2.3679 2.3837 2.8077 2.8411 3.4041 3.4434 4.0823 4.1255 4.5469 4.5838 4.6537 4.6907 8.8752 8.8922 12.1920 12.2572 12.3052 12.3381 12.7291 12.7550 12.9323 12.9936 k = 0.5000-0.7468-0.7995 ( 2282 PWs) bands (ev): -39.8210 -39.8210 -19.2363 -19.2022 -17.6027 -17.5758 -17.3963 -17.3739 -7.3990 -7.3959 -7.3573 -7.3303 2.3975 2.4146 2.8005 2.8361 3.4056 3.4469 4.0690 4.1152 4.5132 4.5606 4.6049 4.6496 8.9229 8.9411 12.1556 12.2225 12.2787 12.3214 12.7421 12.7750 12.9447 12.9935 k = 0.5000-0.7358-0.8178 ( 2280 PWs) bands (ev): -39.8207 -39.8207 -19.2375 -19.2014 -17.6011 -17.5720 -17.4026 -17.3797 -7.3978 -7.3950 -7.3522 -7.3231 2.4288 2.4473 2.7928 2.8304 3.4071 3.4500 4.0566 4.1057 4.4692 4.5144 4.5765 4.6165 8.9726 8.9919 12.1166 12.1815 12.2554 12.3019 12.7469 12.7910 12.9674 13.0045 k = 0.5000-0.7248-0.8361 ( 2278 PWs) bands (ev): -39.8203 -39.8203 -19.2387 -19.2006 -17.5995 -17.5679 -17.4089 -17.3856 -7.3967 -7.3942 -7.3467 -7.3158 2.4619 2.4818 2.7846 2.8241 3.4084 3.4526 4.0454 4.0970 4.4168 4.4552 4.5591 4.5904 9.0240 9.0444 12.0770 12.1388 12.2325 12.2799 12.7433 12.7992 12.9971 13.0303 k = 0.5000-0.7137-0.8544 ( 2278 PWs) bands (ev): -39.8200 -39.8200 -19.2398 -19.2000 -17.5978 -17.5638 -17.4151 -17.3918 -7.3957 -7.3935 -7.3410 -7.3083 2.4965 2.5179 2.7759 2.8171 3.4095 3.4546 4.0354 4.0891 4.3594 4.3924 4.5437 4.5686 9.0765 9.0981 12.0378 12.0964 12.2093 12.2561 12.7333 12.7980 13.0323 13.0684 k = 0.5000-0.7027-0.8726 ( 2276 PWs) bands (ev): -39.8196 -39.8196 -19.2409 -19.1994 -17.5960 -17.5595 -17.4213 -17.3982 -7.3949 -7.3929 -7.3352 -7.3008 2.5326 2.5555 2.7669 2.8095 3.4103 3.4558 4.0267 4.0819 4.2997 4.3284 4.5287 4.5491 9.1298 9.1527 11.9998 12.0552 12.1860 12.2312 12.7188 12.7892 13.0724 13.1132 k = 0.5000-0.6917-0.8909 ( 2284 PWs) bands (ev): -39.8194 -39.8194 -19.2420 -19.1988 -17.5943 -17.5550 -17.4274 -17.4047 -7.3941 -7.3924 -7.3293 -7.2934 2.5699 2.5945 2.7576 2.8014 3.4107 3.4563 4.0191 4.0749 4.2396 4.2641 4.5138 4.5311 9.1834 9.2077 11.9637 12.0158 12.1630 12.2058 12.7014 12.7753 13.1157 13.1605 k = 0.5000-0.6807-0.9092 ( 2288 PWs) bands (ev): -39.8191 -39.8191 -19.2430 -19.1984 -17.5926 -17.5504 -17.4332 -17.4114 -7.3936 -7.3920 -7.3233 -7.2860 2.6083 2.6346 2.7484 2.7929 3.4108 3.4560 4.0126 4.0671 4.1811 4.2003 4.4990 4.5141 9.2369 9.2625 11.9298 11.9787 12.1407 12.1806 12.6821 12.7581 13.1600 13.2081 k = 0.5000-0.6696-0.9275 ( 2290 PWs) bands (ev): -39.8188 -39.8188 -19.2440 -19.1980 -17.5909 -17.5458 -17.4388 -17.4180 -7.3931 -7.3918 -7.3173 -7.2787 2.6474 2.6754 2.7399 2.7841 3.4103 3.4546 4.0065 4.0552 4.1281 4.1381 4.4846 4.4981 9.2895 9.3166 11.8987 11.9442 12.1194 12.1558 12.6616 12.7391 13.2034 13.2543 k = 0.5000-0.6586-0.9458 ( 2288 PWs) bands (ev): -39.8185 -39.8185 -19.2449 -19.1976 -17.5893 -17.5410 -17.4441 -17.4247 -7.3929 -7.3917 -7.3115 -7.2717 2.6856 2.7136 2.7366 2.7752 3.4091 3.4522 3.9988 4.0308 4.0749 4.0946 4.4707 4.4830 9.3406 9.3693 11.8708 11.9127 12.0995 12.1320 12.6406 12.7193 13.2448 13.2979 k = 0.5000-0.6476-0.9641 ( 2288 PWs) bands (ev): -39.8182 -39.8182 -19.2457 -19.1973 -17.5878 -17.5362 -17.4490 -17.4314 -7.3928 -7.3917 -7.3057 -7.2649 2.7080 2.7369 2.7639 2.7679 3.4072 3.4486 3.9737 4.0069 4.0163 4.0785 4.4576 4.4691 9.3896 9.4199 11.8464 11.8845 12.0812 12.1093 12.6198 12.6995 13.2830 13.3379 k = 0.5000-0.6365-0.9823 ( 2282 PWs) bands (ev): -39.8179 -39.8179 -19.2465 -19.1971 -17.5865 -17.5314 -17.4534 -17.4379 -7.3929 -7.3919 -7.3002 -7.2584 2.7041 2.7571 2.7745 2.8077 3.4045 3.4437 3.9274 3.9604 3.9995 4.0702 4.4459 4.4565 9.4358 9.4676 11.8258 11.8597 12.0648 12.0882 12.5998 12.6804 13.3172 13.3736 k = 0.5000-0.6255-1.0006 ( 2282 PWs) bands (ev): -39.8176 -39.8176 -19.2472 -19.1970 -17.5853 -17.5266 -17.4573 -17.4443 -7.3932 -7.3923 -7.2949 -7.2524 2.6966 2.7489 2.8143 2.8508 3.4008 3.4375 3.8793 3.9082 3.9949 4.0639 4.4357 4.4454 9.4782 9.5116 11.8091 11.8384 12.0504 12.0691 12.5812 12.6628 13.3466 13.4043 k = 0.5000-0.6145-1.0189 ( 2278 PWs) bands (ev): -39.8174 -39.8174 -19.2478 -19.1968 -17.5843 -17.5218 -17.4607 -17.4504 -7.3937 -7.3929 -7.2900 -7.2467 2.6890 2.7411 2.8540 2.8936 3.3962 3.4301 3.8337 3.8605 3.9904 4.0575 4.4276 4.4362 9.5161 9.5510 11.7964 11.8207 12.0381 12.0526 12.5646 12.6474 13.3709 13.4296 k = 0.5000-0.6035-1.0372 ( 2282 PWs) bands (ev): -39.8173 -39.8173 -19.2484 -19.1968 -17.5835 -17.5173 -17.4635 -17.4561 -7.3944 -7.3937 -7.2855 -7.2416 2.6820 2.7339 2.8921 2.9351 3.3910 3.4221 3.7919 3.8182 3.9855 4.0503 4.4218 4.4290 9.5490 9.5852 11.7875 11.8064 12.0274 12.0399 12.5507 12.6348 13.3895 13.4491 k = 0.5000-0.5924-1.0555 ( 2274 PWs) bands (ev): -39.8171 -39.8171 -19.2488 -19.1967 -17.5829 -17.5130 -17.4657 -17.4613 -7.3954 -7.3947 -7.2814 -7.2371 2.6759 2.7276 2.9274 2.9740 3.3860 3.4143 3.7545 3.7817 3.9798 4.0419 4.4186 4.4241 9.5760 9.6134 11.7819 11.7951 12.0177 12.0322 12.5403 12.6259 13.4024 13.4625 k = 0.5000-0.5814-1.0737 ( 2272 PWs) bands (ev): -39.8169 -39.8169 -19.2491 -19.1967 -17.5825 -17.5094 -17.4673 -17.4656 -7.3966 -7.3960 -7.2778 -7.2332 2.6709 2.7223 2.9582 3.0085 3.3827 3.4086 3.7220 3.7511 3.9731 4.0321 4.4179 4.4217 9.5967 9.6351 11.7785 11.7863 12.0100 12.0294 12.5343 12.6213 13.4093 13.4697 k = 0.5000-0.5704-1.0920 ( 2270 PWs) bands (ev): -39.8169 -39.8169 -19.2494 -19.1967 -17.5823 -17.5068 -17.4687 -17.4683 -7.3981 -7.3974 -7.2748 -7.2300 2.6671 2.7182 2.9827 3.0362 3.3836 3.4070 3.6946 3.7261 3.9653 4.0208 4.4194 4.4223 9.6108 9.6500 11.7754 11.7804 12.0054 12.0307 12.5334 12.6220 13.4102 13.4708 k = 0.5000-0.5594-1.1103 ( 2270 PWs) bands (ev): -39.8168 -39.8168 -19.2495 -19.1967 -17.5822 -17.5056 -17.4700 -17.4687 -7.3998 -7.3992 -7.2724 -7.2275 2.6648 2.7154 2.9990 3.0546 3.3915 3.4121 3.6721 3.7059 3.9564 4.0081 4.4223 4.4265 9.6181 9.6577 11.7701 11.7774 12.0049 12.0357 12.5386 12.6286 13.4054 13.4658 k = 0.5000-0.5483-1.1286 ( 2270 PWs) bands (ev): -39.8169 -39.8168 -19.2494 -19.1967 -17.5822 -17.5062 -17.4694 -17.4685 -7.4018 -7.4012 -7.2707 -7.2257 2.6640 2.7140 3.0061 3.0621 3.4088 3.4257 3.6541 3.6899 3.9465 3.9942 4.4271 4.4336 9.6186 9.6585 11.7636 11.7745 12.0087 12.0436 12.5507 12.6418 13.3950 13.4551 k = 0.5000-0.5373-1.1469 ( 2268 PWs) bands (ev): -39.8169 -39.8169 -19.2492 -19.1967 -17.5823 -17.5083 -17.4678 -17.4669 -7.4040 -7.4034 -7.2697 -7.2249 2.6648 2.7142 3.0043 3.0589 3.4357 3.4483 3.6400 3.6772 3.9357 3.9794 4.4339 4.4432 9.6126 9.6524 11.7563 11.7700 12.0164 12.0536 12.5706 12.6621 13.3793 13.4388 k = 0.5000-0.5263-1.1652 ( 2272 PWs) bands (ev): -39.8170 -39.8170 -19.2489 -19.1966 -17.5824 -17.5112 -17.4666 -17.4632 -7.4066 -7.4060 -7.2695 -7.2249 2.6673 2.7160 2.9952 3.0475 3.4707 3.4789 3.6291 3.6671 3.9241 3.9639 4.4426 4.4547 9.6005 9.6400 11.7477 11.7634 12.0271 12.0649 12.5984 12.6898 13.3587 13.4174 k = 0.8181-0.4439-1.0091 ( 2272 PWs) bands (ev): -39.8170 -39.8170 -19.2489 -19.1966 -17.5824 -17.5112 -17.4666 -17.4632 -7.4066 -7.4060 -7.2695 -7.2249 2.6673 2.7160 2.9952 3.0475 3.4707 3.4789 3.6291 3.6671 3.9241 3.9639 4.4426 4.4547 9.6005 9.6400 11.7477 11.7634 12.0271 12.0649 12.5984 12.6898 13.3587 13.4174 k = 0.8128-0.4344-0.9909 ( 2272 PWs) bands (ev): -39.8172 -39.8172 -19.2484 -19.1965 -17.5825 -17.5146 -17.4649 -17.4588 -7.4094 -7.4087 -7.2701 -7.2258 2.6715 2.7194 2.9811 3.0307 3.5111 3.5156 3.6210 3.6591 3.9123 3.9482 4.4530 4.4679 9.5829 9.6220 11.7378 11.7547 12.0396 12.0766 12.6338 12.7242 13.3339 13.3917 k = 0.8075-0.4248-0.9728 ( 2274 PWs) bands (ev): -39.8174 -39.8174 -19.2477 -19.1964 -17.5825 -17.5182 -17.4629 -17.4539 -7.4124 -7.4118 -7.2716 -7.2277 2.6776 2.7244 2.9642 3.0109 3.5550 3.5567 3.6158 3.6527 3.9002 3.9324 4.4649 4.4825 9.5603 9.5988 11.7263 11.7442 12.0530 12.0882 12.6763 12.7649 13.3052 13.3617 k = 0.8022-0.4153-0.9547 ( 2270 PWs) bands (ev): -39.8177 -39.8177 -19.2468 -19.1962 -17.5823 -17.5217 -17.4605 -17.4488 -7.4158 -7.4151 -7.2739 -7.2305 2.6855 2.7311 2.9461 2.9898 3.5926 3.6012 3.6204 3.6482 3.8881 3.9168 4.4782 4.4984 9.5334 9.5711 11.7131 11.7321 12.0667 12.0994 12.7246 12.8109 13.2732 13.3282 k = 0.7969-0.4057-0.9366 ( 2274 PWs) bands (ev): -39.8180 -39.8180 -19.2458 -19.1959 -17.5820 -17.5251 -17.4578 -17.4434 -7.4194 -7.4186 -7.2771 -7.2343 2.6953 2.7392 2.9283 2.9689 3.5990 3.6376 3.6511 3.6630 3.8763 3.9016 4.4927 4.5153 9.5028 9.5397 11.6984 11.7185 12.0801 12.1102 12.7771 12.8605 13.2385 13.2916 k = 0.7916-0.3962-0.9185 ( 2276 PWs) bands (ev): -39.8184 -39.8184 -19.2446 -19.1955 -17.5816 -17.5283 -17.4548 -17.4379 -7.4234 -7.4225 -7.2813 -7.2392 2.7069 2.7488 2.9118 2.9492 3.5971 3.6363 3.6995 3.7102 3.8650 3.8873 4.5081 4.5330 9.4691 9.5051 11.6821 11.7036 12.0929 12.1205 12.8317 12.9118 13.2018 13.2527 k = 0.7863-0.3866-0.9003 ( 2274 PWs) bands (ev): -39.8189 -39.8189 -19.2432 -19.1950 -17.5808 -17.5312 -17.4516 -17.4323 -7.4276 -7.4266 -7.2864 -7.2451 2.7202 2.7594 2.8976 2.9313 3.5946 3.6330 3.7500 3.7595 3.8548 3.8744 4.5243 4.5514 9.4329 9.4680 11.6643 11.6874 12.1052 12.1304 12.8859 12.9622 13.1643 13.2126 k = 0.7810-0.3770-0.8822 ( 2276 PWs) bands (ev): -39.8194 -39.8194 -19.2415 -19.1944 -17.5799 -17.5338 -17.4481 -17.4266 -7.4320 -7.4309 -7.2925 -7.2521 2.7350 2.7705 2.8868 2.9159 3.5922 3.6298 3.8012 3.8039 3.8469 3.8668 4.5412 4.5703 9.3948 9.4290 11.6453 11.6700 12.1169 12.1399 12.9356 13.0079 13.1280 13.1742 k = 0.7757-0.3675-0.8641 ( 2276 PWs) bands (ev): -39.8199 -39.8199 -19.2397 -19.1937 -17.5787 -17.5362 -17.4444 -17.4209 -7.4368 -7.4356 -7.2996 -7.2601 2.7512 2.7813 2.8805 2.9037 3.5899 3.6268 3.8215 3.8407 3.8533 3.8862 4.5586 4.5897 9.3553 9.3887 11.6251 11.6514 12.1278 12.1488 12.9715 13.0425 13.0949 13.1482 k = 0.7704-0.3579-0.8460 ( 2272 PWs) bands (ev): -39.8205 -39.8205 -19.2377 -19.1928 -17.5773 -17.5382 -17.4405 -17.4151 -7.4418 -7.4404 -7.3077 -7.2693 2.7683 2.7908 2.8795 2.8957 3.5877 3.6240 3.8176 3.8318 3.9054 3.9320 4.5764 4.6093 9.3150 9.3475 11.6038 11.6317 12.1381 12.1570 12.9746 13.0494 13.0791 13.1531 k = 0.7651-0.3484-0.8279 ( 2268 PWs) bands (ev): -39.8212 -39.8212 -19.2355 -19.1919 -17.5756 -17.5399 -17.4365 -17.4094 -7.4471 -7.4455 -7.3168 -7.2795 2.7854 2.7986 2.8831 2.8944 3.5856 3.6213 3.8109 3.8228 3.9574 3.9829 4.5945 4.6291 9.2744 9.3060 11.5815 11.6109 12.1476 12.1644 12.9478 13.0093 13.1069 13.1764 k = 0.7598-0.3388-0.8097 ( 2264 PWs) bands (ev): -39.8219 -39.8219 -19.2330 -19.1907 -17.5736 -17.5413 -17.4322 -17.4036 -7.4527 -7.4509 -7.3269 -7.2908 2.7996 2.8069 2.8880 2.9036 3.5835 3.6188 3.8044 3.8147 4.0093 4.0348 4.6128 4.6491 9.2338 9.2645 11.5583 11.5892 12.1560 12.1706 12.9098 12.9635 13.1345 13.1994 k = 0.7545-0.3293-0.7916 ( 2260 PWs) bands (ev): -39.8227 -39.8227 -19.2304 -19.1895 -17.5714 -17.5424 -17.4278 -17.3978 -7.4585 -7.4565 -7.3380 -7.3031 2.8074 2.8195 2.8970 2.9204 3.5812 3.6164 3.7988 3.8081 4.0607 4.0867 4.6312 4.6691 9.1936 9.2236 11.5344 11.5665 12.1633 12.1753 12.8685 12.9166 13.1545 13.2152 k = 0.7492-0.3197-0.7735 ( 2270 PWs) bands (ev): -39.8237 -39.8237 -19.2276 -19.1880 -17.5690 -17.5431 -17.4233 -17.3919 -7.4645 -7.4623 -7.3500 -7.3165 2.8144 2.8319 2.9123 2.9415 3.5788 3.6139 3.7946 3.8031 4.1116 4.1381 4.6496 4.6891 9.1543 9.1834 11.5097 11.5430 12.1690 12.1780 12.8266 12.8697 13.1645 13.2211 k = 0.7439-0.3102-0.7554 ( 2274 PWs) bands (ev): -39.8246 -39.8246 -19.2245 -19.1865 -17.5663 -17.5435 -17.4185 -17.3861 -7.4708 -7.4683 -7.3631 -7.3309 2.8231 2.8436 2.9332 2.9653 3.5762 3.6114 3.7920 3.7999 4.1617 4.1888 4.6681 4.7089 9.1161 9.1445 11.4843 11.5188 12.1729 12.1785 12.7852 12.8237 13.1633 13.2159 k = 0.7386-0.3006-0.7373 ( 2274 PWs) bands (ev): -39.8256 -39.8256 -19.2213 -19.1847 -17.5633 -17.5436 -17.4136 -17.3803 -7.4774 -7.4745 -7.3770 -7.3463 2.8343 2.8560 2.9581 2.9911 3.5732 3.6085 3.7914 3.7988 4.2110 4.2387 4.6864 4.7287 9.0793 9.1070 11.4585 11.4940 12.1745 12.1761 12.7453 12.7791 13.1503 13.1991 k = 0.7333-0.2910-0.7192 ( 2276 PWs) bands (ev): -39.8266 -39.8266 -19.2179 -19.1829 -17.5602 -17.5433 -17.4086 -17.3744 -7.4842 -7.4808 -7.3919 -7.3627 2.8483 2.8701 2.9857 3.0184 3.5696 3.6050 3.7932 3.8002 4.2593 4.2876 4.7046 4.7482 9.0443 9.0713 11.4323 11.4687 12.1704 12.1735 12.7075 12.7367 13.1258 13.1706 k = 0.7280-0.2815-0.7010 ( 2278 PWs) bands (ev): -39.8278 -39.8278 -19.2144 -19.1808 -17.5569 -17.5427 -17.4033 -17.3685 -7.4914 -7.4874 -7.4075 -7.3800 2.8653 2.8867 3.0152 3.0467 3.5653 3.6007 3.7976 3.8043 4.3065 4.3353 4.7227 4.7675 9.0112 9.0375 11.4057 11.4429 12.1611 12.1693 12.6719 12.6969 13.0901 13.1311 k = 0.7227-0.2719-0.6829 ( 2276 PWs) bands (ev): -39.8289 -39.8289 -19.2107 -19.1787 -17.5534 -17.5419 -17.3979 -17.3626 -7.4988 -7.4941 -7.4239 -7.3981 2.8854 2.9061 3.0459 3.0757 3.5601 3.5954 3.8049 3.8117 4.3524 4.3818 4.7405 4.7866 8.9803 9.0060 11.3789 11.4168 12.1478 12.1615 12.6387 12.6607 13.0443 13.0816 k = 0.7174-0.2624-0.6648 ( 2276 PWs) bands (ev): -39.8301 -39.8301 -19.2068 -19.1763 -17.5498 -17.5407 -17.3922 -17.3567 -7.5066 -7.5009 -7.4410 -7.4171 2.9087 2.9285 3.0774 3.1050 3.5539 3.5888 3.8152 3.8229 4.3970 4.4269 4.7582 4.8054 8.9519 8.9769 11.3519 11.3905 12.1304 12.1499 12.6075 12.6286 12.9892 13.0232 k = 0.7121-0.2528-0.6467 ( 2278 PWs) bands (ev): -39.8314 -39.8314 -19.2028 -19.1739 -17.5460 -17.5392 -17.3864 -17.3508 -7.5150 -7.5079 -7.4586 -7.4367 2.9352 2.9540 3.1093 3.1345 3.5465 3.5808 3.8287 3.8382 4.4401 4.4704 4.7756 4.8239 8.9260 8.9503 11.3250 11.3641 12.1092 12.1342 12.5782 12.6008 12.9263 12.9574 k = 0.7068-0.2433-0.6286 ( 2274 PWs) bands (ev): -39.8326 -39.8326 -19.1987 -19.1713 -17.5422 -17.5374 -17.3804 -17.3448 -7.5240 -7.5151 -7.4764 -7.4569 2.9647 2.9826 3.1413 3.1638 3.5379 3.5714 3.8455 3.8577 4.4816 4.5124 4.7927 4.8420 8.9028 8.9265 11.2981 11.3377 12.0844 12.1145 12.5507 12.5769 12.8566 12.8857 k = 0.7015-0.2337-0.6104 ( 2274 PWs) bands (ev): -39.8340 -39.8340 -19.1944 -19.1686 -17.5383 -17.5354 -17.3741 -17.3387 -7.5343 -7.5223 -7.4943 -7.4774 2.9974 3.0143 3.1732 3.1929 3.5280 3.5607 3.8659 3.8814 4.5215 4.5527 4.8097 4.8598 8.8825 8.9056 11.2714 11.3115 12.0565 12.0912 12.5247 12.5557 12.7815 12.8099 k = 0.6962-0.2242-0.5923 ( 2278 PWs) bands (ev): -39.8354 -39.8354 -19.1901 -19.1658 -17.5345 -17.5330 -17.3677 -17.3326 -7.5465 -7.5298 -7.5119 -7.4974 3.0329 3.0490 3.2046 3.2214 3.5169 3.5487 3.8900 3.9091 4.5598 4.5912 4.8263 4.8773 8.8652 8.8876 11.2450 11.2854 12.0263 12.0646 12.4992 12.5362 12.7020 12.7321 k = 0.6909-0.2146-0.5742 ( 2286 PWs) bands (ev): -39.8368 -39.8368 -19.1857 -19.1630 -17.5312 -17.5297 -17.3610 -17.3265 -7.5613 -7.5382 -7.5295 -7.5153 3.0712 3.0867 3.2355 3.2493 3.5047 3.5356 3.9179 3.9408 4.5962 4.6279 4.8428 4.8944 8.8509 8.8727 11.2189 11.2596 11.9944 12.0354 12.4722 12.5174 12.6192 12.6554 k = 0.6856-0.2050-0.5561 ( 2284 PWs) bands (ev): -39.8383 -39.8383 -19.1812 -19.1600 -17.5284 -17.5259 -17.3540 -17.3203 -7.5787 -7.5533 -7.5425 -7.5296 3.1120 3.1271 3.2656 3.2764 3.4915 3.5217 3.9494 3.9762 4.6309 4.6628 4.8589 4.9111 8.8397 8.8609 11.1933 11.2342 11.9613 12.0044 12.4389 12.4973 12.5346 12.5856 k = 0.6803-0.1955-0.5380 ( 2282 PWs) bands (ev): -39.8397 -39.8397 -19.1767 -19.1569 -17.5255 -17.5219 -17.3469 -17.3139 -7.5982 -7.5750 -7.5506 -7.5411 3.1550 3.1699 3.2948 3.3027 3.4777 3.5074 3.9844 4.0151 4.6638 4.6958 4.8748 4.9275 8.8317 8.8522 11.1683 11.2093 11.9277 11.9722 12.3912 12.4441 12.4799 12.5315 k = 0.6750-0.1859-0.5199 ( 2282 PWs) bands (ev): -39.8412 -39.8412 -19.1722 -19.1538 -17.5225 -17.5179 -17.3395 -17.3076 -7.6192 -7.5981 -7.5583 -7.5509 3.1995 3.2146 3.3228 3.3278 3.4640 3.4937 4.0228 4.0572 4.6949 4.7270 4.8904 4.9434 8.8268 8.8467 11.1438 11.1850 11.8941 11.9392 12.3258 12.3573 12.4569 12.4958 k = 0.6697-0.1764-0.5017 ( 2280 PWs) bands (ev): -39.8427 -39.8427 -19.1677 -19.1507 -17.5193 -17.5140 -17.3318 -17.3011 -7.6411 -7.6220 -7.5657 -7.5599 3.2442 3.2602 3.3485 3.3520 3.4521 3.4821 4.0643 4.1022 4.7243 4.7562 4.9057 4.9589 8.8250 8.8443 11.1200 11.1612 11.8608 11.9061 12.2492 12.2696 12.4347 12.4705 k = 0.6644-0.1668-0.4836 ( 2282 PWs) bands (ev): -39.8443 -39.8443 -19.1632 -19.1475 -17.5161 -17.5101 -17.3240 -17.2945 -7.6637 -7.6463 -7.5732 -7.5684 3.2863 3.3038 3.3682 3.3765 3.4461 3.4766 4.1086 4.1498 4.7519 4.7837 4.9206 4.9739 8.8264 8.8449 11.0969 11.1382 11.8282 11.8732 12.1681 12.1826 12.4129 12.4484 k = 0.6591-0.1573-0.4655 ( 2272 PWs) bands (ev): -39.8458 -39.8458 -19.1587 -19.1443 -17.5127 -17.5063 -17.3159 -17.2878 -7.6866 -7.6708 -7.5806 -7.5766 3.3188 3.3352 3.3855 3.4002 3.4545 3.4834 4.1553 4.1997 4.7778 4.8095 4.9352 4.9886 8.8307 8.8486 11.0747 11.1159 11.7966 11.8408 12.0856 12.0970 12.3910 12.4269 k = 0.6538-0.1477-0.4474 ( 2272 PWs) bands (ev): -39.8473 -39.8473 -19.1542 -19.1410 -17.5093 -17.5026 -17.3076 -17.2810 -7.7099 -7.6955 -7.5879 -7.5845 3.3317 3.3396 3.4124 3.4252 3.4830 3.5074 4.2042 4.2514 4.8022 4.8335 4.9493 5.0028 8.8381 8.8553 11.0532 11.0943 11.7661 11.8088 12.0035 12.0134 12.3685 12.4048 k = 0.6484-0.1382-0.4293 ( 2272 PWs) bands (ev): -39.8489 -39.8489 -19.1498 -19.1378 -17.5058 -17.4989 -17.2992 -17.2741 -7.7333 -7.7203 -7.5951 -7.5922 3.3262 3.3271 3.4433 3.4514 3.5281 3.5467 4.2550 4.3048 4.8251 4.8560 4.9629 5.0165 8.8482 8.8647 11.0327 11.0736 11.7369 11.7771 11.9233 11.9324 12.3452 12.3818 k = 0.6431-0.1286-0.4111 ( 2270 PWs) bands (ev): -39.8504 -39.8504 -19.1455 -19.1346 -17.5024 -17.4955 -17.2905 -17.2671 -7.7568 -7.7450 -7.6023 -7.5997 3.3084 3.3109 3.4721 3.4768 3.5827 3.5969 4.3071 4.3594 4.8466 4.8769 4.9761 5.0299 8.8611 8.8769 11.0130 11.0537 11.7088 11.7443 11.8466 11.8551 12.3208 12.3575 k = 0.6378-0.1190-0.3930 ( 2272 PWs) bands (ev): -39.8520 -39.8520 -19.1413 -19.1314 -17.4989 -17.4921 -17.2818 -17.2600 -7.7803 -7.7696 -7.6093 -7.6071 3.2869 3.2909 3.4986 3.5014 3.6426 3.6540 4.3604 4.4148 4.8669 4.8963 4.9887 5.0429 8.8765 8.8915 10.9942 11.0347 11.6808 11.7062 11.7743 11.7867 12.2953 12.3320 k = 0.6325-0.1095-0.3749 ( 2270 PWs) bands (ev): -39.8535 -39.8535 -19.1371 -19.1283 -17.4955 -17.4889 -17.2729 -17.2528 -7.8037 -7.7941 -7.6163 -7.6143 3.2638 3.2684 3.5234 3.5255 3.7056 3.7155 4.4145 4.4709 4.8859 4.9144 5.0008 5.0557 8.8943 8.9085 10.9763 11.0165 11.6465 11.6579 11.7086 11.7374 12.2687 12.3053 k = 0.6272-0.0999-0.3568 ( 2266 PWs) bands (ev): -39.8550 -39.8550 -19.1331 -19.1252 -17.4921 -17.4857 -17.2639 -17.2455 -7.8269 -7.8183 -7.6231 -7.6213 3.2396 3.2443 3.5470 3.5493 3.7710 3.7800 4.4691 4.5273 4.9037 4.9309 5.0125 5.0684 8.9142 8.9277 10.9594 10.9993 11.5886 11.6068 11.6625 11.7049 12.2411 12.2774 k = 0.6219-0.0904-0.3387 ( 2262 PWs) bands (ev): -39.8565 -39.8565 -19.1292 -19.1222 -17.4887 -17.4828 -17.2549 -17.2382 -7.8498 -7.8421 -7.6297 -7.6282 3.2148 3.2193 3.5699 3.5724 3.8382 3.8465 4.5238 4.5835 4.9204 4.9461 5.0239 5.0810 8.9360 8.9487 10.9434 10.9829 11.5232 11.5451 11.6363 11.6809 12.2125 12.2485 k = 0.6166-0.0808-0.3206 ( 2266 PWs) bands (ev): -39.8580 -39.8580 -19.1255 -19.1193 -17.4855 -17.4799 -17.2458 -17.2308 -7.8724 -7.8656 -7.6362 -7.6349 3.1894 3.1937 3.5923 3.5950 3.9066 3.9147 4.5782 4.6394 4.9359 4.9598 5.0351 5.0938 8.9596 8.9715 10.9283 10.9674 11.4583 11.4816 11.6178 11.6615 12.1830 12.2186 k = 0.6113-0.0713-0.3024 ( 2264 PWs) bands (ev): -39.8595 -39.8595 -19.1218 -19.1164 -17.4823 -17.4772 -17.2368 -17.2234 -7.8945 -7.8885 -7.6426 -7.6413 3.1638 3.1677 3.6142 3.6169 3.9760 3.9839 4.6322 4.6945 4.9501 4.9720 5.0464 5.1068 8.9846 8.9957 10.9141 10.9527 11.3957 11.4199 11.6032 11.6455 12.1529 12.1879 k = 0.6060-0.0617-0.2843 ( 2264 PWs) bands (ev): -39.8609 -39.8609 -19.1184 -19.1137 -17.4793 -17.4747 -17.2278 -17.2160 -7.9162 -7.9110 -7.6487 -7.6476 3.1382 3.1417 3.6354 3.6381 4.0460 4.0538 4.6855 4.7486 4.9632 4.9827 5.0581 5.1203 9.0108 9.0210 10.9008 10.9389 11.3360 11.3609 11.5917 11.6324 12.1223 12.1566 k = 0.6007-0.0521-0.2662 ( 2264 PWs) bands (ev): -39.8623 -39.8623 -19.1151 -19.1110 -17.4764 -17.4722 -17.2190 -17.2085 -7.9374 -7.9328 -7.6546 -7.6536 3.1126 3.1157 3.6561 3.6587 4.1163 4.1240 4.7376 4.8013 4.9749 4.9919 5.0702 5.1342 9.0378 9.0472 10.8885 10.9259 11.2795 11.3051 11.5831 11.6222 12.0914 12.1248 k = 0.5954-0.0426-0.2481 ( 2262 PWs) bands (ev): -39.8636 -39.8636 -19.1119 -19.1084 -17.4736 -17.4699 -17.2102 -17.2012 -7.9579 -7.9539 -7.6603 -7.6595 3.0873 3.0899 3.6761 3.6785 4.1865 4.1942 4.7883 4.8519 4.9856 4.9998 5.0832 5.1486 9.0655 9.0740 10.8771 10.9138 11.2265 11.2525 11.5772 11.6146 12.0604 12.0929 k = 0.5901-0.0330-0.2300 ( 2266 PWs) bands (ev): -39.8649 -39.8649 -19.1090 -19.1060 -17.4710 -17.4678 -17.2017 -17.1939 -7.9777 -7.9743 -7.6658 -7.6650 3.0623 3.0646 3.6953 3.6976 4.2564 4.2640 4.8372 4.8997 4.9956 5.0066 5.0970 5.1634 9.0934 9.1011 10.8665 10.9024 11.1770 11.2034 11.5738 11.6096 12.0294 12.0610 k = 0.5848-0.0235-0.2118 ( 2262 PWs) bands (ev): -39.8662 -39.8662 -19.1062 -19.1037 -17.4686 -17.4657 -17.1934 -17.1868 -7.9967 -7.9938 -7.6711 -7.6703 3.0379 3.0399 3.7137 3.7158 4.3255 4.3330 4.8840 4.9427 5.0059 5.0136 5.1117 5.1788 9.1213 9.1282 10.8569 10.8918 11.1312 11.1578 11.5731 11.6071 11.9989 12.0293 k = 0.5795-0.0139-0.1937 ( 2264 PWs) bands (ev): -39.8674 -39.8674 -19.1035 -19.1014 -17.4662 -17.4638 -17.1853 -17.1798 -8.0150 -8.0125 -7.6761 -7.6754 3.0142 3.0159 3.7313 3.7331 4.3934 4.4008 4.9277 4.9757 5.0148 5.0280 5.1274 5.1944 9.1489 9.1549 10.8482 10.8819 11.0893 11.1157 11.5747 11.6069 11.9688 11.9980 k = 0.5742-0.0044-0.1756 ( 2262 PWs) bands (ev): -39.8685 -39.8685 -19.1011 -19.0994 -17.4641 -17.4620 -17.1775 -17.1730 -8.0323 -8.0303 -7.6808 -7.6802 2.9913 2.9927 3.7479 3.7495 4.4598 4.4671 4.9659 4.9941 5.0225 5.0565 5.1442 5.2102 9.1758 9.1810 10.8405 10.8727 11.0511 11.0772 11.5786 11.6089 11.9396 11.9675 k = 0.5689 0.0052-0.1575 ( 2266 PWs) bands (ev): -39.8696 -39.8696 -19.0988 -19.0974 -17.4621 -17.4604 -17.1701 -17.1664 -8.0488 -8.0471 -7.6852 -7.6847 2.9694 2.9705 3.7635 3.7649 4.5243 4.5313 4.9911 5.0050 5.0378 5.0902 5.1622 5.2262 9.2018 9.2063 10.8336 10.8641 11.0169 11.0422 11.5846 11.6130 11.9114 11.9379 k = 0.5636 0.0147-0.1394 ( 2264 PWs) bands (ev): -39.8706 -39.8706 -19.0967 -19.0956 -17.4603 -17.4588 -17.1631 -17.1602 -8.0642 -8.0628 -7.6894 -7.6889 2.9485 2.9494 3.7782 3.7793 4.5864 4.5932 5.0007 5.0115 5.0662 5.1225 5.1820 5.2420 9.2266 9.2303 10.8277 10.8561 10.9865 11.0108 11.5924 11.6188 11.8846 11.9094 k = 0.5583 0.0243-0.1212 ( 2264 PWs) bands (ev): -39.8715 -39.8715 -19.0948 -19.0939 -17.4586 -17.4574 -17.1565 -17.1542 -8.0787 -8.0775 -7.6932 -7.6928 2.9289 2.9296 3.7917 3.7926 4.6457 4.6521 5.0051 5.0144 5.0985 5.1507 5.2039 5.2577 9.2499 9.2530 10.8227 10.8487 10.9601 10.9827 11.6018 11.6261 11.8592 11.8823 k = 0.5530 0.0339-0.1031 ( 2256 PWs) bands (ev): -39.8724 -39.8724 -19.0930 -19.0923 -17.4571 -17.4561 -17.1503 -17.1486 -8.0920 -8.0911 -7.6968 -7.6964 2.9106 2.9111 3.8041 3.8048 4.7016 4.7077 5.0079 5.0160 5.1297 5.1743 5.2277 5.2730 9.2715 9.2740 10.8185 10.8416 10.9376 10.9581 11.6124 11.6346 11.8356 11.8569 k = 0.5477 0.0434-0.0850 ( 2256 PWs) bands (ev): -39.8732 -39.8732 -19.0915 -19.0909 -17.4557 -17.4550 -17.1447 -17.1434 -8.1042 -8.1035 -7.7000 -7.6997 2.8936 2.8940 3.8154 3.8160 4.7537 4.7594 5.0099 5.0170 5.1586 5.1940 5.2520 5.2879 9.2913 9.2932 10.8151 10.8349 10.9190 10.9368 11.6238 11.6437 11.8141 11.8334 k = 0.5424 0.0530-0.0669 ( 2252 PWs) bands (ev): -39.8738 -39.8738 -19.0901 -19.0897 -17.4545 -17.4539 -17.1395 -17.1386 -8.1153 -8.1146 -7.7029 -7.7027 2.8782 2.8785 3.8255 3.8259 4.8015 4.8066 5.0118 5.0178 5.1845 5.2110 5.2753 5.3020 9.3092 9.3106 10.8123 10.8285 10.9040 10.9187 11.6356 11.6530 11.7950 11.8119 k = 0.5371 0.0625-0.0488 ( 2250 PWs) bands (ev): -39.8745 -39.8745 -19.0889 -19.0885 -17.4535 -17.4530 -17.1349 -17.1343 -8.1251 -8.1246 -7.7055 -7.7053 2.8644 2.8646 3.8345 3.8348 4.8443 4.8489 5.0137 5.0187 5.2073 5.2258 5.2967 5.3153 9.3249 9.3259 10.8100 10.8223 10.8925 10.9038 11.6472 11.6619 11.7785 11.7930 k = 0.5318 0.0721-0.0307 ( 2250 PWs) bands (ev): -39.8750 -39.8750 -19.0878 -19.0876 -17.4526 -17.4522 -17.1309 -17.1305 -8.1337 -8.1333 -7.7078 -7.7076 2.8523 2.8524 3.8422 3.8425 4.8816 4.8854 5.0162 5.0202 5.2268 5.2389 5.3155 5.3276 9.3384 9.3391 10.8080 10.8166 10.8840 10.8920 11.6579 11.6697 11.7652 11.7768 k = 0.5265 0.0816-0.0125 ( 2248 PWs) bands (ev): -39.8755 -39.8755 -19.0869 -19.0867 -17.4518 -17.4515 -17.1274 -17.1272 -8.1410 -8.1407 -7.7097 -7.7095 2.8419 2.8419 3.8488 3.8490 4.9127 4.9157 5.0196 5.0225 5.2430 5.2502 5.3316 5.3387 9.3498 9.3503 10.8061 10.8114 10.8780 10.8830 11.6670 11.6756 11.7554 11.7638 k = 0.5212 0.0912 0.0056 ( 2248 PWs) bands (ev): -39.8759 -39.8759 -19.0862 -19.0861 -17.4512 -17.4510 -17.1246 -17.1245 -8.1470 -8.1468 -7.7112 -7.7111 2.8333 2.8333 3.8542 3.8543 4.9368 4.9389 5.0243 5.0261 5.2560 5.2598 5.3446 5.3483 9.3590 9.3594 10.8042 10.8071 10.8739 10.8766 11.6739 11.6792 11.7492 11.7544 k = 0.5159 0.1007 0.0237 ( 2242 PWs) bands (ev): -39.8762 -39.8762 -19.0856 -19.0855 -17.4507 -17.4505 -17.1224 -17.1223 -8.1517 -8.1515 -7.7125 -7.7124 2.8265 2.8266 3.8584 3.8585 4.9538 4.9551 5.0301 5.0310 5.2659 5.2676 5.3546 5.3562 9.3662 9.3664 10.8024 10.8037 10.8712 10.8724 11.6781 11.6806 11.7461 11.7486 k = 0.5106 0.1103 0.0418 ( 2234 PWs) bands (ev): -39.8763 -39.8763 -19.0852 -19.0852 -17.4503 -17.4502 -17.1208 -17.1208 -8.1551 -8.1549 -7.7133 -7.7133 2.8217 2.8217 3.8614 3.8614 4.9644 4.9650 5.0360 5.0363 5.2727 5.2733 5.3617 5.3622 9.3712 9.3714 10.8009 10.8013 10.8695 10.8699 11.6800 11.6808 11.7450 11.7458 k = 0.5053 0.1199 0.0599 ( 2222 PWs) bands (ev): -39.8764 -39.8764 -19.0850 -19.0849 -17.4501 -17.4501 -17.1198 -17.1198 -8.1571 -8.1570 -7.7138 -7.7138 2.8188 2.8188 3.8632 3.8632 4.9699 4.9702 5.0404 5.0404 5.2767 5.2769 5.3658 5.3659 9.3742 9.3743 10.7998 10.7999 10.8686 10.8687 11.6804 11.6805 11.7449 11.7450 k = 0.5000 0.1294 0.0781 ( 2228 PWs) bands (ev): -39.8765 -39.8765 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1577 -8.1577 -7.7140 -7.7140 2.8179 2.8179 3.8638 3.8638 4.9717 4.9717 5.0420 5.0420 5.2781 5.2781 5.3672 5.3672 9.3753 9.3753 10.7994 10.7994 10.8683 10.8683 11.6803 11.6803 11.7449 11.7449 k = 0.5000 0.1294 0.0781 ( 2228 PWs) bands (ev): -39.8765 -39.8765 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1577 -8.1577 -7.7140 -7.7140 2.8179 2.8179 3.8638 3.8638 4.9717 4.9717 5.0420 5.0420 5.2781 5.2781 5.3672 5.3672 9.3753 9.3753 10.7994 10.7994 10.8683 10.8683 11.6803 11.6803 11.7449 11.7449 k = 0.4800 0.1242 0.0749 ( 2228 PWs) bands (ev): -39.8765 -39.8765 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1588 -8.1588 -7.7128 -7.7128 2.8112 2.8112 3.8719 3.8719 4.9719 4.9719 5.0421 5.0422 5.2779 5.2779 5.3669 5.3671 9.3739 9.3739 10.7994 10.7999 10.8685 10.8685 11.6802 11.6802 11.7445 11.7450 k = 0.4600 0.1191 0.0718 ( 2228 PWs) bands (ev): -39.8765 -39.8765 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1619 -8.1619 -7.7093 -7.7093 2.7921 2.7921 3.8957 3.8957 4.9724 4.9724 5.0425 5.0429 5.2772 5.2772 5.3661 5.3666 9.3700 9.3700 10.7998 10.8009 10.8692 10.8692 11.6797 11.6797 11.7438 11.7448 k = 0.4400 0.1139 0.0687 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1669 -8.1669 -7.7035 -7.7035 2.7621 2.7621 3.9333 3.9333 4.9734 4.9734 5.0432 5.0438 5.2762 5.2762 5.3649 5.3656 9.3634 9.3634 10.8007 10.8022 10.8703 10.8703 11.6789 11.6789 11.7427 11.7442 k = 0.4200 0.1087 0.0656 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1737 -8.1737 -7.6958 -7.6958 2.7236 2.7236 3.9823 3.9823 4.9747 4.9747 5.0443 5.0451 5.2747 5.2747 5.3633 5.3642 9.3542 9.3542 10.8020 10.8040 10.8719 10.8719 11.6779 11.6779 11.7415 11.7435 k = 0.4000 0.1035 0.0624 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1818 -8.1818 -7.6864 -7.6864 2.6789 2.6789 4.0405 4.0405 4.9764 4.9764 5.0457 5.0467 5.2729 5.2729 5.3613 5.3625 9.3425 9.3425 10.8038 10.8062 10.8738 10.8738 11.6766 11.6766 11.7400 11.7424 k = 0.3800 0.0984 0.0593 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1912 -8.1912 -7.6756 -7.6756 2.6301 2.6301 4.1055 4.1055 4.9785 4.9785 5.0475 5.0486 5.2707 5.2707 5.3590 5.3603 9.3282 9.3282 10.8059 10.8088 10.8761 10.8761 11.6751 11.6751 11.7382 11.7411 k = 0.3600 0.0932 0.0562 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0848 -17.4499 -17.4499 -17.1195 -17.1195 -8.2014 -8.2014 -7.6636 -7.6636 2.5788 2.5788 4.1755 4.1755 4.9810 4.9810 5.0495 5.0508 5.2682 5.2682 5.3563 5.3578 9.3116 9.3116 10.8084 10.8116 10.8788 10.8788 11.6734 11.6734 11.7363 11.7395 k = 0.3400 0.0880 0.0531 ( 2255 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0848 -17.4499 -17.4499 -17.1195 -17.1195 -8.2123 -8.2123 -7.6509 -7.6509 2.5263 2.5263 4.2490 4.2490 4.9838 4.9838 5.0518 5.0532 5.2653 5.2653 5.3533 5.3550 9.2926 9.2926 10.8112 10.8148 10.8817 10.8817 11.6714 11.6714 11.7342 11.7378 k = 0.3200 0.0828 0.0500 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0848 -17.4499 -17.4499 -17.1195 -17.1195 -8.2235 -8.2235 -7.6376 -7.6376 2.4737 2.4737 4.3247 4.3247 4.9871 4.9871 5.0544 5.0559 5.2622 5.2622 5.3500 5.3518 9.2714 9.2714 10.8143 10.8181 10.8849 10.8849 11.6694 11.6694 11.7321 11.7359 k = 0.3000 0.0776 0.0468 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0848 -17.4499 -17.4499 -17.1195 -17.1195 -8.2349 -8.2349 -7.6241 -7.6241 2.4219 2.4219 4.4013 4.4013 4.9907 4.9907 5.0572 5.0588 5.2588 5.2588 5.3464 5.3484 9.2482 9.2482 10.8176 10.8217 10.8883 10.8883 11.6672 11.6672 11.7298 11.7338 k = 0.2800 0.0725 0.0437 ( 2252 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0848 -17.4498 -17.4498 -17.1195 -17.1195 -8.2463 -8.2463 -7.6104 -7.6104 2.3715 2.3715 4.4780 4.4780 4.9948 4.9948 5.0602 5.0619 5.2552 5.2552 5.3427 5.3448 9.2233 9.2233 10.8211 10.8253 10.8918 10.8918 11.6649 11.6649 11.7274 11.7316 k = 0.2600 0.0673 0.0406 ( 2246 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0848 -17.4498 -17.4498 -17.1195 -17.1195 -8.2574 -8.2574 -7.5969 -7.5969 2.3230 2.3230 4.5537 4.5537 4.9993 4.9993 5.0633 5.0652 5.2514 5.2514 5.3388 5.3409 9.1969 9.1969 10.8248 10.8291 10.8954 10.8954 11.6626 11.6626 11.7251 11.7294 k = 0.2400 0.0621 0.0375 ( 2243 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0848 -17.4498 -17.4498 -17.1195 -17.1195 -8.2683 -8.2683 -7.5838 -7.5838 2.2768 2.2768 4.6275 4.6275 5.0045 5.0045 5.0666 5.0685 5.2475 5.2475 5.3347 5.3370 9.1693 9.1693 10.8284 10.8328 10.8990 10.8990 11.6602 11.6602 11.7228 11.7271 k = 0.2200 0.0569 0.0343 ( 2243 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4497 -17.4497 -17.1195 -17.1195 -8.2786 -8.2786 -7.5711 -7.5711 2.2333 2.2333 4.6983 4.6983 5.0106 5.0106 5.0700 5.0719 5.2436 5.2436 5.3307 5.3329 9.1410 9.1410 10.8321 10.8364 10.9026 10.9026 11.6579 11.6579 11.7205 11.7248 k = 0.2000 0.0518 0.0312 ( 2237 PWs) bands (ev): -39.8765 -39.8765 -19.0847 -19.0847 -17.4497 -17.4497 -17.1195 -17.1195 -8.2884 -8.2884 -7.5591 -7.5591 2.1929 2.1929 4.7649 4.7649 5.0179 5.0179 5.0734 5.0753 5.2396 5.2396 5.3266 5.3289 9.1123 9.1123 10.8358 10.8399 10.9062 10.9062 11.6557 11.6557 11.7183 11.7225 k = 0.1800 0.0466 0.0281 ( 2237 PWs) bands (ev): -39.8765 -39.8765 -19.0847 -19.0847 -17.4497 -17.4497 -17.1195 -17.1195 -8.2974 -8.2974 -7.5478 -7.5478 2.1556 2.1556 4.8257 4.8257 5.0273 5.0273 5.0768 5.0787 5.2357 5.2357 5.3226 5.3248 9.0839 9.0839 10.8393 10.8433 10.9096 10.9096 11.6535 11.6535 11.7163 11.7203 k = 0.1600 0.0414 0.0250 ( 2244 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4496 -17.4496 -17.1195 -17.1195 -8.3058 -8.3058 -7.5374 -7.5374 2.1217 2.1217 4.8784 4.8784 5.0402 5.0402 5.0802 5.0820 5.2319 5.2319 5.3188 5.3209 9.0562 9.0562 10.8426 10.8464 10.9127 10.9127 11.6515 11.6515 11.7144 11.7182 k = 0.1400 0.0362 0.0219 ( 2244 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4496 -17.4496 -17.1195 -17.1195 -8.3133 -8.3133 -7.5280 -7.5280 2.0915 2.0915 4.9205 4.9205 5.0585 5.0585 5.0834 5.0850 5.2283 5.2283 5.3152 5.3172 9.0298 9.0298 10.8458 10.8492 10.9157 10.9157 11.6496 11.6496 11.7127 11.7162 k = 0.1200 0.0311 0.0187 ( 2244 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4496 -17.4496 -17.1195 -17.1195 -8.3199 -8.3199 -7.5196 -7.5196 2.0650 2.0650 4.9501 4.9501 5.0831 5.0831 5.0863 5.0879 5.2250 5.2250 5.3119 5.3137 9.0053 9.0053 10.8487 10.8517 10.9183 10.9183 11.6479 11.6479 11.7113 11.7144 k = 0.1000 0.0259 0.0156 ( 2250 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4496 -17.4496 -17.1195 -17.1195 -8.3255 -8.3255 -7.5125 -7.5125 2.0424 2.0424 4.9691 4.9691 5.0890 5.0904 5.1115 5.1115 5.2220 5.2220 5.3090 5.3105 8.9833 8.9833 10.8512 10.8539 10.9206 10.9206 11.6464 11.6464 11.7101 11.7127 k = 0.0800 0.0207 0.0125 ( 2253 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4495 -17.4495 -17.1195 -17.1195 -8.3302 -8.3302 -7.5065 -7.5065 2.0238 2.0238 4.9808 4.9808 5.0914 5.0926 5.1396 5.1396 5.2195 5.2195 5.3065 5.3078 8.9645 8.9645 10.8534 10.8556 10.9226 10.9226 11.6452 11.6452 11.7091 11.7113 k = 0.0600 0.0155 0.0094 ( 2253 PWs) bands (ev): -39.8766 -39.8766 -19.0847 -19.0847 -17.4495 -17.4495 -17.1195 -17.1195 -8.3339 -8.3339 -7.5018 -7.5018 2.0092 2.0092 4.9881 4.9881 5.0934 5.0943 5.1640 5.1640 5.2175 5.2175 5.3045 5.3055 8.9492 8.9492 10.8553 10.8569 10.9241 10.9241 11.6442 11.6442 11.7084 11.7101 k = 0.0400 0.0104 0.0062 ( 2253 PWs) bands (ev): -39.8767 -39.8767 -19.0847 -19.0847 -17.4495 -17.4495 -17.1195 -17.1195 -8.3366 -8.3366 -7.4984 -7.4984 1.9988 1.9988 4.9927 4.9927 5.0949 5.0955 5.1823 5.1823 5.2162 5.2162 5.3031 5.3038 8.9379 8.9379 10.8567 10.8578 10.9253 10.9253 11.6435 11.6435 11.7080 11.7091 k = 0.0200 0.0052 0.0031 ( 2253 PWs) bands (ev): -39.8767 -39.8767 -19.0847 -19.0847 -17.4495 -17.4495 -17.1195 -17.1195 -8.3382 -8.3382 -7.4964 -7.4964 1.9925 1.9925 4.9951 4.9951 5.0958 5.0961 5.1936 5.1936 5.2155 5.2155 5.3023 5.3027 8.9310 8.9310 10.8576 10.8582 10.9259 10.9259 11.6431 11.6431 11.7078 11.7084 k = 0.0000 0.0000 0.0000 ( 2253 PWs) bands (ev): -39.8767 -39.8767 -19.0847 -19.0847 -17.4495 -17.4495 -17.1195 -17.1195 -8.3387 -8.3387 -7.4957 -7.4957 1.9904 1.9904 4.9959 4.9959 5.0963 5.0963 5.1973 5.1973 5.2153 5.2153 5.3022 5.3022 8.9287 8.9287 10.8582 10.8582 10.9262 10.9262 11.6429 11.6429 11.7080 11.7080 k = 0.0000 0.0000 0.0000 ( 2253 PWs) bands (ev): -39.8767 -39.8767 -19.0847 -19.0847 -17.4495 -17.4495 -17.1195 -17.1195 -8.3387 -8.3387 -7.4957 -7.4957 1.9904 1.9904 4.9959 4.9959 5.0963 5.0963 5.1973 5.1973 5.2153 5.2153 5.3022 5.3022 8.9287 8.9287 10.8582 10.8582 10.9262 10.9262 11.6429 11.6429 11.7080 11.7080 k = 0.0053-0.0096-0.0182 ( 2253 PWs) bands (ev): -39.8766 -39.8766 -19.0848 -19.0847 -17.4496 -17.4496 -17.1198 -17.1198 -8.3380 -8.3380 -7.4956 -7.4956 1.9915 1.9915 4.9936 4.9950 5.0946 5.0946 5.1854 5.1955 5.2143 5.2230 5.3018 5.3020 8.9292 8.9292 10.8576 10.8576 10.9257 10.9257 11.6436 11.6437 11.7086 11.7086 k = 0.0107-0.0192-0.0364 ( 2253 PWs) bands (ev): -39.8765 -39.8765 -19.0850 -19.0849 -17.4498 -17.4497 -17.1208 -17.1208 -8.3358 -8.3358 -7.4954 -7.4953 1.9948 1.9948 4.9878 4.9906 5.0897 5.0901 5.1687 5.1806 5.2189 5.2287 5.3002 5.3018 8.9307 8.9308 10.8557 10.8558 10.9247 10.9247 11.6453 11.6459 11.7103 11.7108 k = 0.0160-0.0288-0.0546 ( 2249 PWs) bands (ev): -39.8762 -39.8762 -19.0854 -19.0853 -17.4502 -17.4500 -17.1224 -17.1223 -8.3322 -8.3321 -7.4949 -7.4949 2.0002 2.0002 4.9775 4.9820 5.0820 5.0836 5.1488 5.1611 5.2201 5.2320 5.2970 5.3019 8.9332 8.9334 10.8514 10.8517 10.9241 10.9243 11.6477 11.6495 11.7133 11.7151 k = 0.0213-0.0384-0.0728 ( 2251 PWs) bands (ev): -39.8759 -39.8759 -19.0860 -19.0858 -17.4507 -17.4505 -17.1246 -17.1245 -8.3272 -8.3270 -7.4943 -7.4942 2.0078 2.0079 4.9617 4.9679 5.0722 5.0757 5.1268 5.1388 5.2166 5.2333 5.2921 5.3022 8.9367 8.9370 10.8437 10.8443 10.9253 10.9258 11.6503 11.6543 11.7178 11.7218 k = 0.0266-0.0480-0.0910 ( 2253 PWs) bands (ev): -39.8755 -39.8755 -19.0867 -19.0865 -17.4513 -17.4510 -17.1275 -17.1273 -8.3207 -8.3205 -7.4934 -7.4934 2.0175 2.0176 4.9395 4.9472 5.0596 5.0663 5.1048 5.1153 5.2086 5.2322 5.2857 5.3025 8.9409 8.9413 10.8319 10.8328 10.9294 10.9302 11.6527 11.6600 11.7243 11.7315 k = 0.0320-0.0576-0.1092 ( 2259 PWs) bands (ev): -39.8751 -39.8751 -19.0876 -19.0874 -17.4521 -17.4517 -17.1310 -17.1306 -8.3129 -8.3126 -7.4924 -7.4924 2.0293 2.0295 4.9107 4.9194 5.0410 5.0520 5.0870 5.0946 5.1969 5.2277 5.2786 5.3023 8.9459 8.9463 10.8161 10.8173 10.9366 10.9378 11.6550 11.6661 11.7333 11.7442 k = 0.0373-0.0672-0.1274 ( 2259 PWs) bands (ev): -39.8745 -39.8745 -19.0887 -19.0884 -17.4530 -17.4525 -17.1351 -17.1344 -8.3037 -8.3033 -7.4913 -7.4912 2.0431 2.0434 4.8755 4.8846 5.0143 5.0282 5.0752 5.0821 5.1821 5.2186 5.2717 5.3013 8.9514 8.9519 10.7969 10.7984 10.9469 10.9485 11.6574 11.6724 11.7450 11.7598 k = 0.0426-0.0768-0.1456 ( 2257 PWs) bands (ev): -39.8739 -39.8739 -19.0899 -19.0895 -17.4541 -17.4535 -17.1397 -17.1388 -8.2931 -8.2927 -7.4899 -7.4899 2.0589 2.0593 4.8343 4.8434 4.9817 4.9961 5.0676 5.0758 5.1647 5.2045 5.2659 5.2996 8.9572 8.9579 10.7749 10.7768 10.9602 10.9622 11.6601 11.6789 11.7597 11.7781 k = 0.0479-0.0864-0.1639 ( 2257 PWs) bands (ev): -39.8731 -39.8731 -19.0913 -19.0908 -17.4553 -17.4545 -17.1449 -17.1436 -8.2813 -8.2807 -7.4884 -7.4883 2.0765 2.0771 4.7878 4.7967 4.9453 4.9593 5.0617 5.0717 5.1453 5.1855 5.2610 5.2970 8.9632 8.9640 10.7509 10.7533 10.9765 10.9788 11.6635 11.6859 11.7770 11.7987 k = 0.0533-0.0960-0.1821 ( 2257 PWs) bands (ev): -39.8723 -39.8723 -19.0929 -19.0922 -17.4567 -17.4557 -17.1506 -17.1489 -8.2681 -8.2674 -7.4868 -7.4867 2.0960 2.0967 4.7366 4.7450 4.9062 4.9192 5.0555 5.0680 5.1250 5.1626 5.2565 5.2936 8.9691 8.9702 10.7256 10.7284 10.9955 10.9982 11.6679 11.6935 11.7968 11.8215 k = 0.0586-0.1056-0.2003 ( 2255 PWs) bands (ev): -39.8715 -39.8715 -19.0947 -19.0938 -17.4582 -17.4570 -17.1568 -17.1545 -8.2538 -8.2528 -7.4850 -7.4848 2.1172 2.1182 4.6812 4.6892 4.8648 4.8766 5.0462 5.0630 5.1062 5.1369 5.2521 5.2894 8.9748 8.9761 10.6994 10.7028 11.0175 11.0206 11.6736 11.7021 11.8188 11.8461 k = 0.0639-0.1152-0.2185 ( 2259 PWs) bands (ev): -39.8705 -39.8705 -19.0966 -19.0955 -17.4599 -17.4585 -17.1635 -17.1605 -8.2382 -8.2370 -7.4830 -7.4828 2.1400 2.1413 4.6222 4.6297 4.8215 4.8318 5.0302 5.0547 5.0923 5.1108 5.2473 5.2845 8.9798 8.9815 10.6730 10.6771 11.0425 11.0460 11.6809 11.7119 11.8427 11.8722 k = 0.0693-0.1248-0.2367 ( 2259 PWs) bands (ev): -39.8695 -39.8695 -19.0987 -19.0973 -17.4618 -17.4600 -17.1706 -17.1668 -8.2215 -8.2201 -7.4809 -7.4807 2.1644 2.1661 4.5602 4.5671 4.7764 4.7850 5.0062 5.0387 5.0841 5.0890 5.2422 5.2788 8.9841 8.9862 10.6469 10.6519 11.0706 11.0746 11.6899 11.7233 11.8680 11.8996 k = 0.0746-0.1344-0.2549 ( 2257 PWs) bands (ev): -39.8684 -39.8684 -19.1010 -19.0993 -17.4638 -17.4617 -17.1781 -17.1734 -8.2037 -8.2020 -7.4786 -7.4784 2.1902 2.1923 4.4956 4.5021 4.7298 4.7364 4.9763 5.0116 5.0757 5.0793 5.2366 5.2725 8.9873 8.9900 10.6217 10.6278 11.1021 11.1065 11.7007 11.7364 11.8946 11.9280 k = 0.0799-0.1440-0.2731 ( 2261 PWs) bands (ev): -39.8673 -39.8673 -19.1035 -19.1014 -17.4660 -17.4635 -17.1859 -17.1803 -8.1849 -8.1828 -7.4763 -7.4761 2.2173 2.2199 4.4291 4.4350 4.6817 4.6862 4.9426 4.9765 5.0677 5.0755 5.2305 5.2656 8.9893 8.9926 10.5979 10.6051 11.1370 11.1418 11.7136 11.7514 11.9221 11.9571 k = 0.0852-0.1536-0.2913 ( 2263 PWs) bands (ev): -39.8661 -39.8661 -19.1062 -19.1037 -17.4683 -17.4655 -17.1940 -17.1873 -8.1651 -8.1625 -7.4738 -7.4735 2.2456 2.2488 4.3609 4.3664 4.6321 4.6345 4.9065 4.9372 5.0616 5.0718 5.2238 5.2580 8.9899 8.9940 10.5759 10.5844 11.1755 11.1807 11.7285 11.7683 11.9504 11.9867 k = 0.0906-0.1632-0.3095 ( 2263 PWs) bands (ev): -39.8648 -39.8648 -19.1090 -19.1060 -17.4708 -17.4675 -17.2024 -17.1945 -8.1444 -8.1413 -7.4712 -7.4709 2.2750 2.2788 4.2917 4.2966 4.5802 4.5825 4.8686 4.8954 5.0557 5.0677 5.2165 5.2498 8.9890 8.9939 10.5561 10.5660 11.2178 11.2234 11.7456 11.7872 11.9790 12.0166 k = 0.0959-0.1728-0.3277 ( 2265 PWs) bands (ev): -39.8635 -39.8635 -19.1120 -19.1085 -17.4735 -17.4697 -17.2110 -17.2018 -8.1227 -8.1192 -7.4685 -7.4682 2.3052 2.3098 4.2219 4.2262 4.5258 4.5304 4.8295 4.8520 5.0494 5.0629 5.2085 5.2410 8.9865 8.9924 10.5388 10.5502 11.2639 11.2698 11.7649 11.8082 12.0077 12.0464 k = 0.1012-0.1824-0.3459 ( 2263 PWs) bands (ev): -39.8622 -39.8622 -19.1152 -19.1111 -17.4763 -17.4721 -17.2198 -17.2092 -8.1003 -8.0962 -7.4657 -7.4654 2.3362 2.3416 4.1518 4.1554 4.4698 4.4774 4.7895 4.8074 5.0423 5.0571 5.2000 5.2317 8.9824 8.9893 10.5243 10.5373 11.3141 11.3203 11.7863 11.8313 12.0364 12.0761 k = 0.1065-0.1920-0.3641 ( 2259 PWs) bands (ev): -39.8607 -39.8607 -19.1186 -19.1138 -17.4792 -17.4745 -17.2287 -17.2167 -8.0771 -8.0724 -7.4629 -7.4625 2.3679 2.3742 4.0818 4.0847 4.4126 4.4234 4.7490 4.7624 5.0342 5.0502 5.1908 5.2217 8.9768 8.9848 10.5129 10.5275 11.3684 11.3748 11.8099 11.8564 12.0648 12.1053 k = 0.1119-0.2016-0.3823 ( 2261 PWs) bands (ev): -39.8593 -39.8593 -19.1221 -19.1166 -17.4823 -17.4771 -17.2377 -17.2241 -8.0533 -8.0479 -7.4599 -7.4595 2.3999 2.4073 4.0122 4.0145 4.3544 4.3684 4.7084 4.7172 5.0249 5.0419 5.1810 5.2110 8.9698 8.9789 10.5046 10.5209 11.4267 11.4333 11.8357 11.8836 12.0927 12.1338 k = 0.1172-0.2112-0.4005 ( 2261 PWs) bands (ev): -39.8579 -39.8579 -19.1257 -19.1195 -17.4855 -17.4799 -17.2468 -17.2316 -8.0288 -8.0227 -7.4569 -7.4564 2.4322 2.4408 3.9433 3.9453 4.2952 4.3125 4.6676 4.6725 5.0141 5.0322 5.1705 5.1998 8.9616 8.9718 10.4995 10.5175 11.4892 11.4958 11.8634 11.9128 12.1199 12.1615 k = 0.1225-0.2208-0.4187 ( 2269 PWs) bands (ev): -39.8564 -39.8564 -19.1295 -19.1224 -17.4888 -17.4828 -17.2559 -17.2390 -8.0038 -7.9969 -7.4539 -7.4533 2.4645 2.4744 3.8754 3.8775 4.2351 4.2556 4.6259 4.6298 5.0019 5.0210 5.1593 5.1878 8.9523 8.9638 10.4977 10.5174 11.5557 11.5623 11.8932 11.9438 12.1462 12.1882 k = 0.1279-0.2304-0.4369 ( 2265 PWs) bands (ev): -39.8549 -39.8549 -19.1335 -19.1255 -17.4921 -17.4858 -17.2650 -17.2464 -7.9783 -7.9706 -7.4508 -7.4502 2.4967 2.5080 3.8086 3.8117 4.1744 4.1979 4.5829 4.5898 4.9881 5.0080 5.1473 5.1752 8.9425 8.9551 10.4992 10.5205 11.6262 11.6327 11.9248 11.9766 12.1717 12.2138 k = 0.1332-0.2400-0.4551 ( 2265 PWs) bands (ev): -39.8533 -39.8533 -19.1375 -19.1286 -17.4956 -17.4889 -17.2740 -17.2537 -7.9524 -7.9438 -7.4476 -7.4470 2.5284 2.5413 3.7435 3.7479 4.1131 4.1394 4.5405 4.5512 4.9726 4.9934 5.1346 5.1619 8.9323 8.9460 10.5039 10.5268 11.7004 11.7068 11.9581 12.0110 12.1962 12.2383 k = 0.1385-0.2496-0.4733 ( 2265 PWs) bands (ev): -39.8518 -39.8518 -19.1417 -19.1317 -17.4990 -17.4922 -17.2829 -17.2609 -7.9261 -7.9166 -7.4445 -7.4438 2.5594 2.5740 3.6806 3.6865 4.0514 4.0804 4.4992 4.5138 4.9554 4.9770 5.1211 5.1477 8.9220 8.9369 10.5117 10.5361 11.7781 11.7844 11.9930 12.0466 12.2200 12.2616 k = 0.1438-0.2593-0.4916 ( 2265 PWs) bands (ev): -39.8502 -39.8502 -19.1460 -19.1349 -17.5026 -17.4957 -17.2917 -17.2680 -7.8996 -7.8891 -7.4413 -7.4406 2.5895 2.6060 3.6203 3.6279 3.9896 4.0209 4.4594 4.4777 4.9365 4.9587 5.1067 5.1328 8.9122 8.9281 10.5226 10.5484 11.8588 11.8650 12.0291 12.0831 12.2434 12.2838 k = 0.1492-0.2689-0.5098 ( 2265 PWs) bands (ev): -39.8486 -39.8486 -19.1503 -19.1381 -17.5061 -17.4992 -17.3003 -17.2750 -7.8729 -7.8614 -7.4382 -7.4373 2.6182 2.6367 3.5629 3.5725 3.9277 3.9611 4.4212 4.4429 4.9157 4.9385 5.0915 5.1170 8.9030 8.9200 10.5364 10.5636 11.9420 11.9484 12.0663 12.1198 12.2669 12.3053 k = 0.1545-0.2785-0.5280 ( 2265 PWs) bands (ev): -39.8471 -39.8471 -19.1547 -19.1414 -17.5095 -17.5029 -17.3088 -17.2820 -7.8461 -7.8335 -7.4350 -7.4341 2.6452 2.6659 3.5090 3.5206 3.8659 3.9013 4.3846 4.4096 4.8932 4.9164 5.0754 5.1003 8.8948 8.9127 10.5531 10.5815 12.0265 12.0338 12.1042 12.1560 12.2919 12.3265 k = 0.1598-0.2881-0.5462 ( 2261 PWs) bands (ev): -39.8455 -39.8455 -19.1592 -19.1446 -17.5130 -17.5066 -17.3171 -17.2888 -7.8192 -7.8055 -7.4319 -7.4309 2.6700 2.6929 3.4591 3.4729 3.8045 3.8415 4.3499 4.3778 4.8688 4.8924 5.0583 5.0827 8.8879 8.9068 10.5725 10.6021 12.1084 12.1203 12.1436 12.1915 12.3203 12.3484 k = 0.1651-0.2977-0.5644 ( 2271 PWs) bands (ev): -39.8440 -39.8440 -19.1638 -19.1479 -17.5163 -17.5105 -17.3252 -17.2955 -7.7924 -7.7775 -7.4288 -7.4277 2.6922 2.7173 3.4137 3.4297 3.7437 3.7819 4.3170 4.3477 4.8425 4.8664 5.0404 5.0642 8.8826 8.9024 10.5946 10.6253 12.1681 12.1914 12.2059 12.2347 12.3545 12.3733 k = 0.1705-0.3073-0.5826 ( 2273 PWs) bands (ev): -39.8425 -39.8425 -19.1683 -19.1511 -17.5196 -17.5144 -17.3330 -17.3021 -7.7656 -7.7496 -7.4258 -7.4246 2.7112 2.7385 3.3737 3.3917 3.6835 3.7229 4.2860 4.3192 4.8144 4.8386 5.0215 5.0447 8.8793 8.8998 10.6193 10.6510 12.2038 12.2255 12.2873 12.3045 12.3949 12.4080 k = 0.1758-0.3169-0.6008 ( 2277 PWs) bands (ev): -39.8410 -39.8410 -19.1729 -19.1542 -17.5228 -17.5184 -17.3406 -17.3086 -7.7390 -7.7218 -7.4228 -7.4215 2.7266 2.7556 3.3395 3.3594 3.6244 3.6646 4.2568 4.2924 4.7846 4.8088 5.0018 5.0243 8.8780 8.8993 10.6465 10.6791 12.2319 12.2443 12.3588 12.3760 12.4437 12.4639 k = 0.1811-0.3265-0.6190 ( 2277 PWs) bands (ev): -39.8395 -39.8395 -19.1774 -19.1574 -17.5258 -17.5224 -17.3480 -17.3150 -7.7127 -7.6942 -7.4199 -7.4184 2.7380 2.7682 3.3118 3.3331 3.5665 3.6072 4.2296 4.2674 4.7529 4.7772 4.9811 5.0030 8.8790 8.9010 10.6762 10.7096 12.2530 12.2569 12.4167 12.4325 12.5142 12.5370 k = 0.1865-0.3361-0.6372 ( 2277 PWs) bands (ev): -39.8380 -39.8380 -19.1819 -19.1604 -17.5287 -17.5264 -17.3552 -17.3213 -7.6867 -7.6669 -7.4170 -7.4154 2.7451 2.7758 3.2909 3.3129 3.5103 3.5511 4.2043 4.2441 4.7195 4.7437 4.9596 4.9808 8.8825 8.9051 10.7081 10.7423 12.2627 12.2699 12.4644 12.4846 12.5964 12.6186 k = 0.1918-0.3457-0.6554 ( 2269 PWs) bands (ev): -39.8365 -39.8365 -19.1864 -19.1634 -17.5316 -17.5303 -17.3621 -17.3275 -7.6610 -7.6399 -7.4143 -7.4125 2.7480 2.7782 3.2764 3.2985 3.4563 3.4966 4.1809 4.2226 4.6844 4.7085 4.9374 4.9577 8.8886 8.9118 10.7423 10.7771 12.2665 12.2795 12.5100 12.5369 12.6802 12.7024 k = 0.1971-0.3553-0.6736 ( 2269 PWs) bands (ev): -39.8351 -39.8351 -19.1908 -19.1663 -17.5350 -17.5334 -17.3688 -17.3337 -7.6359 -7.6134 -7.4116 -7.4097 2.7470 2.7759 3.2669 3.2892 3.4057 3.4444 4.1593 4.2028 4.6476 4.6714 4.9143 4.9338 8.8974 8.9211 10.7787 10.8141 12.2672 12.2845 12.5567 12.5893 12.7617 12.7846 k = 0.2024-0.3649-0.6918 ( 2277 PWs) bands (ev): -39.8337 -39.8337 -19.1952 -19.1691 -17.5389 -17.5357 -17.3753 -17.3398 -7.6112 -7.5874 -7.4090 -7.4070 2.7429 2.7696 3.2582 3.2830 3.3618 3.3962 4.1396 4.1848 4.6093 4.6327 4.8906 4.9092 8.9089 8.9331 10.8171 10.8531 12.2654 12.2857 12.6049 12.6421 12.8387 12.8629 k = 0.2078-0.3745-0.7100 ( 2277 PWs) bands (ev): -39.8324 -39.8324 -19.1994 -19.1718 -17.5429 -17.5377 -17.3815 -17.3459 -7.5871 -7.5619 -7.4066 -7.4043 2.7365 2.7605 3.2412 3.2757 3.3309 3.3573 4.1216 4.1685 4.5694 4.5923 4.8663 4.8839 8.9232 8.9479 10.8575 10.8939 12.2613 12.2839 12.6543 12.6952 12.9097 12.9355 k = 0.2131-0.3841-0.7282 ( 2277 PWs) bands (ev): -39.8311 -39.8311 -19.2035 -19.1743 -17.5467 -17.5394 -17.3875 -17.3519 -7.5637 -7.5371 -7.4043 -7.4017 2.7288 2.7497 3.2094 3.2551 3.3190 3.3387 4.1053 4.1538 4.5282 4.5504 4.8415 4.8579 8.9403 8.9654 10.8998 10.9366 12.2553 12.2794 12.7046 12.7485 12.9732 13.0008 k = 0.2184-0.3937-0.7464 ( 2279 PWs) bands (ev): -39.8299 -39.8299 -19.2075 -19.1768 -17.5505 -17.5409 -17.3933 -17.3579 -7.5410 -7.5130 -7.4021 -7.3993 2.7207 2.7383 3.1692 3.2185 3.3227 3.3382 4.0907 4.1408 4.4856 4.5071 4.8162 4.8315 8.9602 8.9857 10.9438 10.9809 12.2476 12.2728 12.7552 12.8016 13.0277 13.0573 k = 0.2237-0.4033-0.7646 ( 2281 PWs) bands (ev): -39.8287 -39.8287 -19.2114 -19.1791 -17.5541 -17.5420 -17.3989 -17.3638 -7.5191 -7.4897 -7.4001 -7.3968 2.7129 2.7273 3.1267 3.1768 3.3334 3.3461 4.0776 4.1292 4.4419 4.4624 4.7905 4.8046 8.9828 9.0088 10.9895 11.0268 12.2383 12.2644 12.8059 12.8545 13.0722 13.1037 k = 0.2291-0.4129-0.7828 ( 2281 PWs) bands (ev): -39.8275 -39.8275 -19.2151 -19.1812 -17.5576 -17.5428 -17.4043 -17.3697 -7.4981 -7.4672 -7.3982 -7.3944 2.7062 2.7173 3.0844 3.1347 3.3470 3.3579 4.0660 4.1191 4.3971 4.4165 4.7646 4.7773 9.0081 9.0344 11.0366 11.0740 12.2278 12.2544 12.8563 12.9069 13.1056 13.1392 k = 0.2344-0.4225-0.8010 ( 2281 PWs) bands (ev): -39.8265 -39.8265 -19.2187 -19.1832 -17.5609 -17.5433 -17.4096 -17.3756 -7.4780 -7.4458 -7.3965 -7.3919 2.7010 2.7089 3.0434 3.0939 3.3617 3.3721 4.0557 4.1102 4.3516 4.3696 4.7385 4.7499 9.0358 9.0626 11.0851 11.1225 12.2162 12.2432 12.9059 12.9584 13.1273 13.1629 k = 0.2397-0.4321-0.8193 ( 2279 PWs) bands (ev): -39.8254 -39.8254 -19.2220 -19.1851 -17.5640 -17.5435 -17.4146 -17.3815 -7.4590 -7.4256 -7.3949 -7.3890 2.6979 2.7026 3.0041 3.0547 3.3768 3.3875 4.0464 4.1023 4.3055 4.3218 4.7124 4.7223 9.0660 9.0931 11.1347 11.1720 12.2037 12.2311 12.9539 13.0085 13.1371 13.1751 k = 0.2451-0.4417-0.8375 ( 2281 PWs) bands (ev): -39.8244 -39.8244 -19.2252 -19.1868 -17.5669 -17.5434 -17.4195 -17.3874 -7.4413 -7.4073 -7.3935 -7.3850 2.6970 2.6988 2.9667 3.0174 3.3919 3.4035 4.0380 4.0951 4.2593 4.2735 4.6864 4.6947 9.0983 9.1259 11.1852 11.2223 12.1905 12.2182 12.9992 13.0561 13.1359 13.1769 k = 0.2504-0.4513-0.8557 ( 2281 PWs) bands (ev): -39.8235 -39.8235 -19.2282 -19.1884 -17.5696 -17.5429 -17.4242 -17.3932 -7.4252 -7.3943 -7.3913 -7.3770 2.6973 2.6989 2.9315 2.9824 3.4068 3.4197 4.0298 4.0879 4.2133 4.2255 4.6606 4.6673 9.1326 9.1606 11.2364 11.2732 12.1769 12.2048 13.0374 13.0979 13.1266 13.1732 k = 0.2557-0.4609-0.8739 ( 2289 PWs) bands (ev): -39.8227 -39.8227 -19.2310 -19.1897 -17.5720 -17.5421 -17.4288 -17.3991 -7.4119 -7.3917 -7.3843 -7.3632 2.6988 2.7034 2.8985 2.9495 3.4213 3.4357 4.0209 4.0792 4.1674 4.1804 4.6352 4.6403 9.1686 9.1972 11.2881 11.3243 12.1631 12.1911 13.0534 13.1070 13.1335 13.1826 k = 0.2610-0.4705-0.8921 ( 2291 PWs) bands (ev): -39.8219 -39.8219 -19.2336 -19.1910 -17.5742 -17.5410 -17.4332 -17.4049 -7.4025 -7.3908 -7.3759 -7.3476 2.7032 2.7107 2.8678 2.9190 3.4353 3.4512 4.0090 4.0661 4.1212 4.1438 4.6104 4.6137 9.2061 9.2352 11.3400 11.3754 12.1491 12.1773 13.0336 13.0814 13.1640 13.2152 k = 0.2664-0.4801-0.9103 ( 2287 PWs) bands (ev): -39.8212 -39.8211 -19.2360 -19.1921 -17.5761 -17.5395 -17.4374 -17.4107 -7.3971 -7.3902 -7.3653 -7.3323 2.7104 2.7209 2.8397 2.8910 3.4487 3.4661 3.9898 4.0428 4.0801 4.1205 4.5862 4.5879 9.2448 9.2744 11.3916 11.4261 12.1352 12.1638 12.9935 13.0422 13.2005 13.2543 k = 0.2717-0.4897-0.9285 ( 2285 PWs) bands (ev): -39.8205 -39.8205 -19.2382 -19.1930 -17.5777 -17.5377 -17.4414 -17.4165 -7.3943 -7.3898 -7.3537 -7.3179 2.7203 2.7338 2.8144 2.8655 3.4613 3.4801 3.9594 4.0037 4.0555 4.1085 4.5626 4.5633 9.2842 9.3145 11.4427 11.4758 12.1216 12.1507 12.9433 12.9943 13.2375 13.2929 k = 0.2770-0.4993-0.9467 ( 2281 PWs) bands (ev): -39.8198 -39.8198 -19.2402 -19.1939 -17.5791 -17.5356 -17.4453 -17.4223 -7.3928 -7.3896 -7.3421 -7.3044 2.7323 2.7484 2.7931 2.8429 3.4731 3.4931 3.9200 3.9559 4.0438 4.1022 4.5390 4.5411 9.3240 9.3550 11.4926 11.5242 12.1082 12.1381 12.8867 12.9409 13.2728 13.3295 k = 0.2823-0.5089-0.9649 ( 2283 PWs) bands (ev): -39.8193 -39.8193 -19.2420 -19.1946 -17.5802 -17.5332 -17.4489 -17.4280 -7.3919 -7.3896 -7.3312 -7.2920 2.7438 2.7585 2.7840 2.8238 3.4839 3.5051 3.8763 3.9061 4.0371 4.0982 4.5167 4.5203 9.3637 9.3954 11.5408 11.5706 12.0953 12.1263 12.8266 12.8843 13.3055 13.3631 k = 0.2877-0.5185-0.9831 ( 2281 PWs) bands (ev): -39.8188 -39.8188 -19.2435 -19.1951 -17.5811 -17.5304 -17.4524 -17.4337 -7.3916 -7.3898 -7.3211 -7.2806 2.7399 2.7640 2.7988 2.8111 3.4936 3.5156 3.8311 3.8562 4.0324 4.0949 4.4960 4.5010 9.4028 9.4353 11.5866 11.6144 12.0826 12.1152 12.7654 12.8272 13.3350 13.3935 k = 0.2930-0.5281-1.0013 ( 2277 PWs) bands (ev): -39.8183 -39.8183 -19.2449 -19.1956 -17.5817 -17.5274 -17.4556 -17.4393 -7.3916 -7.3902 -7.3118 -7.2704 2.7259 2.7663 2.8127 2.8226 3.5018 3.5246 3.7862 3.8073 4.0285 4.0917 4.4773 4.4835 9.4407 9.4741 11.6292 11.6547 12.0702 12.1049 12.7056 12.7719 13.3610 13.4200 k = 0.2983-0.5377-1.0195 ( 2273 PWs) bands (ev): -39.8179 -39.8179 -19.2461 -19.1960 -17.5822 -17.5242 -17.4585 -17.4448 -7.3919 -7.3908 -7.3035 -7.2612 2.7121 2.7587 2.8298 2.8498 3.5083 3.5312 3.7431 3.7601 4.0248 4.0878 4.4610 4.4679 9.4768 9.5112 11.6676 11.6910 12.0580 12.0950 12.6500 12.7211 13.3829 13.4425 k = 0.3037-0.5473-1.0377 ( 2277 PWs) bands (ev): -39.8176 -39.8176 -19.2471 -19.1962 -17.5824 -17.5207 -17.4612 -17.4502 -7.3925 -7.3916 -7.2962 -7.2532 2.7000 2.7488 2.8537 2.8795 3.5120 3.5343 3.7036 3.7162 4.0207 4.0831 4.4471 4.4545 9.5105 9.5458 11.7007 11.7223 12.0458 12.0854 12.6014 12.6772 13.4004 13.4604 k = 0.3090-0.5569-1.0559 ( 2275 PWs) bands (ev): -39.8174 -39.8174 -19.2479 -19.1964 -17.5825 -17.5172 -17.4635 -17.4553 -7.3934 -7.3926 -7.2898 -7.2462 2.6897 2.7396 2.8803 2.9111 3.5116 3.5320 3.6701 3.6780 4.0160 4.0771 4.4358 4.4433 9.5409 9.5772 11.7275 11.7478 12.0339 12.0754 12.5624 12.6426 13.4133 13.4736 k = 0.3143-0.5665-1.0741 ( 2277 PWs) bands (ev): -39.8172 -39.8172 -19.2485 -19.1966 -17.5825 -17.5136 -17.4654 -17.4601 -7.3945 -7.3938 -7.2844 -7.2402 2.6814 2.7319 2.9081 2.9437 3.5049 3.5219 3.6435 3.6509 4.0107 4.0698 4.4273 4.4344 9.5674 9.6047 11.7476 11.7666 12.0231 12.0650 12.5350 12.6189 13.4213 13.4818 k = 0.3196-0.5761-1.0923 ( 2283 PWs) bands (ev): -39.8171 -39.8171 -19.2490 -19.1967 -17.5824 -17.5103 -17.4669 -17.4644 -7.3958 -7.3951 -7.2798 -7.2353 2.6749 2.7258 2.9356 2.9762 3.4907 3.5041 3.6246 3.6377 4.0046 4.0612 4.4214 4.4280 9.5892 9.6273 11.7609 11.7779 12.0146 12.0547 12.5203 12.6067 13.4242 13.4848 k = 0.3250-0.5857-1.1105 ( 2285 PWs) bands (ev): -39.8170 -39.8170 -19.2493 -19.1967 -17.5823 -17.5076 -17.4680 -17.4677 -7.3973 -7.3967 -7.2762 -7.2314 2.6702 2.7212 2.9610 3.0067 3.4712 3.4831 3.6150 3.6336 3.9978 4.0515 4.4178 4.4239 9.6055 9.6444 11.7682 11.7817 12.0097 12.0455 12.5178 12.6057 13.4218 13.4823 k = 0.3303-0.5953-1.1288 ( 2285 PWs) bands (ev): -39.8169 -39.8169 -19.2494 -19.1967 -17.5822 -17.5059 -17.4697 -17.4686 -7.3990 -7.3984 -7.2734 -7.2284 2.6671 2.7183 2.9819 3.0328 3.4520 3.4652 3.6121 3.6344 3.9904 4.0408 4.4162 4.4224 9.6157 9.6552 11.7707 11.7794 12.0090 12.0389 12.5260 12.6146 13.4140 13.4744 k = 0.3356-0.6049-1.1470 ( 2285 PWs) bands (ev): -39.8169 -39.8169 -19.2494 -19.1967 -17.5822 -17.5058 -17.4699 -17.4686 -7.4009 -7.4003 -7.2714 -7.2264 2.6655 2.7167 2.9957 3.0507 3.4395 3.4551 3.6131 3.6378 3.9826 4.0295 4.4162 4.4231 9.6192 9.6590 11.7702 11.7739 12.0124 12.0359 12.5428 12.6316 13.4008 13.4609 k = 0.3409-0.6145-1.1652 ( 2291 PWs) bands (ev): -39.8170 -39.8170 -19.2493 -19.1967 -17.5823 -17.5073 -17.4681 -17.4681 -7.4029 -7.4023 -7.2701 -7.2252 2.6653 2.7164 2.9999 3.0570 3.4392 3.4562 3.6164 3.6427 3.9744 4.0180 4.4175 4.4258 9.6156 9.6555 11.7663 11.7709 12.0188 12.0373 12.5662 12.6549 13.3822 13.4419 k = 0.6591-0.4851-1.0871 ( 2291 PWs) bands (ev): -39.8170 -39.8170 -19.2493 -19.1967 -17.5823 -17.5073 -17.4681 -17.4681 -7.4029 -7.4023 -7.2701 -7.2252 2.6653 2.7164 2.9999 3.0570 3.4392 3.4562 3.6164 3.6427 3.9744 4.0180 4.4175 4.4258 9.6156 9.6555 11.7663 11.7709 12.0188 12.0373 12.5662 12.6549 13.3822 13.4419 k = 0.6538-0.4646-1.0871 ( 2287 PWs) bands (ev): -39.8171 -39.8171 -19.2491 -19.1967 -17.5826 -17.5103 -17.4670 -17.4646 -7.4051 -7.4045 -7.2696 -7.2249 2.6663 2.7171 2.9937 3.0501 3.4531 3.4700 3.6212 3.6486 3.9663 4.0067 4.4200 4.4301 9.6049 9.6447 11.7625 11.7718 12.0273 12.0432 12.5941 12.6826 13.3586 13.4176 k = 0.6484-0.4441-1.0871 ( 2285 PWs) bands (ev): -39.8172 -39.8172 -19.2487 -19.1967 -17.5830 -17.5140 -17.4653 -17.4601 -7.4074 -7.4068 -7.2698 -7.2253 2.6683 2.7188 2.9777 3.0314 3.4798 3.4957 3.6275 3.6554 3.9585 3.9959 4.4236 4.4356 9.5871 9.6264 11.7626 11.7762 12.0374 12.0532 12.6251 12.7133 13.3299 13.3883 k = 0.6431-0.4237-1.0871 ( 2277 PWs) bands (ev): -39.8173 -39.8173 -19.2483 -19.1968 -17.5837 -17.5183 -17.4629 -17.4548 -7.4098 -7.4092 -7.2705 -7.2265 2.6711 2.7212 2.9540 3.0041 3.5154 3.5310 3.6361 3.6635 3.9512 3.9859 4.4280 4.4420 9.5626 9.6011 11.7679 11.7852 12.0491 12.0666 12.6580 12.7460 13.2967 13.3541 k = 0.6378-0.4032-1.0871 ( 2277 PWs) bands (ev): -39.8175 -39.8175 -19.2477 -19.1969 -17.5845 -17.5229 -17.4600 -17.4490 -7.4124 -7.4118 -7.2719 -7.2283 2.6746 2.7241 2.9248 2.9710 3.5542 3.5724 3.6491 3.6739 3.9449 3.9773 4.4330 4.4489 9.5317 9.5693 11.7789 11.7993 12.0628 12.0826 12.6917 12.7794 13.2592 13.3156 k = 0.6325-0.3827-1.0871 ( 2277 PWs) bands (ev): -39.8177 -39.8177 -19.2471 -19.1970 -17.5855 -17.5276 -17.4565 -17.4429 -7.4150 -7.4144 -7.2737 -7.2308 2.6784 2.7274 2.8920 2.9346 3.5884 3.6147 3.6709 3.6904 3.9401 3.9706 4.4384 4.4563 9.4953 9.5317 11.7957 11.8188 12.0784 12.1007 12.7255 12.8128 13.2182 13.2731 k = 0.6272-0.3622-1.0871 ( 2287 PWs) bands (ev): -39.8180 -39.8180 -19.2463 -19.1972 -17.5867 -17.5324 -17.4525 -17.4365 -7.4177 -7.4171 -7.2760 -7.2338 2.6824 2.7308 2.8571 2.8963 3.6110 3.6480 3.7045 3.7228 3.9377 3.9663 4.4440 4.4637 9.4540 9.4892 11.8179 11.8434 12.0957 12.1204 12.7586 12.8454 13.1745 13.2275 k = 0.6219-0.3417-1.0871 ( 2283 PWs) bands (ev): -39.8182 -39.8182 -19.2455 -19.1974 -17.5881 -17.5372 -17.4480 -17.4300 -7.4204 -7.4198 -7.2787 -7.2374 2.6863 2.7342 2.8212 2.8573 3.6244 3.6667 3.7488 3.7708 3.9389 3.9659 4.4496 4.4711 9.4087 9.4425 11.8452 11.8729 12.1145 12.1414 12.7903 12.8759 13.1293 13.1797 k = 0.6166-0.3212-1.0871 ( 2283 PWs) bands (ev): -39.8185 -39.8185 -19.2447 -19.1977 -17.5896 -17.5420 -17.4431 -17.4234 -7.4232 -7.4226 -7.2817 -7.2413 2.6894 2.7372 2.7855 2.8184 3.6334 3.6776 3.7965 3.8233 3.9466 3.9718 4.4552 4.4783 9.3602 9.3927 11.8767 11.9067 12.1344 12.1632 12.8198 12.9025 13.0851 13.1308 k = 0.6113-0.3008-1.0871 ( 2283 PWs) bands (ev): -39.8188 -39.8188 -19.2438 -19.1980 -17.5912 -17.5467 -17.4378 -17.4168 -7.4261 -7.4254 -7.2850 -7.2457 2.6905 2.7381 2.7528 2.7805 3.6404 3.6852 3.8387 3.8707 3.9659 3.9894 4.4605 4.4852 9.3093 9.3404 11.9120 11.9443 12.1549 12.1854 12.8453 12.9203 13.0467 13.0837 k = 0.6060-0.2803-1.0871 ( 2285 PWs) bands (ev): -39.8191 -39.8191 -19.2428 -19.1984 -17.5928 -17.5513 -17.4322 -17.4102 -7.4289 -7.4282 -7.2886 -7.2504 2.6846 2.7181 2.7429 2.7480 3.6460 3.6909 3.8694 3.9034 4.0036 4.0247 4.4655 4.4916 9.2568 9.2865 11.9504 11.9852 12.1755 12.2071 12.8628 12.9196 13.0204 13.0473 k = 0.6007-0.2598-1.0871 ( 2287 PWs) bands (ev): -39.8194 -39.8194 -19.2418 -19.1989 -17.5946 -17.5558 -17.4264 -17.4037 -7.4317 -7.4311 -7.2923 -7.2554 2.6627 2.6916 2.7249 2.7468 3.6505 3.6948 3.8906 3.9225 4.0568 4.0757 4.4700 4.4975 9.2032 9.2316 11.9910 12.0286 12.1954 12.2275 12.8614 12.9011 12.9967 13.0438 k = 0.5954-0.2393-1.0871 ( 2283 PWs) bands (ev): -39.8197 -39.8197 -19.2407 -19.1995 -17.5963 -17.5602 -17.4204 -17.3972 -7.4345 -7.4339 -7.2961 -7.2606 2.6318 2.6590 2.7206 2.7483 3.6540 3.6970 3.9079 3.9364 4.1174 4.1355 4.4741 4.5028 9.1493 9.1764 12.0331 12.0741 12.2135 12.2455 12.8351 12.8755 12.9882 13.0586 k = 0.5901-0.2188-1.0871 ( 2277 PWs) bands (ev): -39.8200 -39.8200 -19.2396 -19.2001 -17.5980 -17.5644 -17.4142 -17.3909 -7.4373 -7.4366 -7.3000 -7.2659 2.5996 2.6248 2.7209 2.7494 3.6565 3.6977 3.9249 3.9498 4.1809 4.1990 4.4777 4.5074 9.0956 9.1214 12.0757 12.1211 12.2287 12.2598 12.8008 12.8423 12.9963 13.0772 k = 0.5848-0.1983-1.0871 ( 2277 PWs) bands (ev): -39.8204 -39.8204 -19.2385 -19.2008 -17.5997 -17.5685 -17.4080 -17.3848 -7.4400 -7.4393 -7.3040 -7.2714 2.5678 2.5912 2.7223 2.7500 3.6580 3.6970 3.9432 3.9644 4.2452 4.2634 4.4810 4.5115 9.0425 9.0671 12.1168 12.1686 12.2398 12.2701 12.7695 12.8087 13.0103 13.0959 k = 0.5795-0.1778-1.0871 ( 2275 PWs) bands (ev): -39.8207 -39.8207 -19.2374 -19.2015 -17.6013 -17.5725 -17.4017 -17.3789 -7.4426 -7.4419 -7.3079 -7.2769 2.5371 2.5588 2.7238 2.7501 3.6586 3.6952 3.9632 3.9807 4.3086 4.3267 4.4846 4.5155 8.9905 9.0138 12.1527 12.2127 12.2478 12.2786 12.7458 12.7807 13.0254 13.1134 k = 0.5742-0.1574-1.0871 ( 2273 PWs) bands (ev): -39.8210 -39.8210 -19.2362 -19.2023 -17.6029 -17.5763 -17.3955 -17.3733 -7.4451 -7.4445 -7.3117 -7.2824 2.5079 2.5279 2.7250 2.7498 3.6585 3.6924 3.9850 3.9990 4.3690 4.3860 4.4908 4.5203 8.9399 8.9621 12.1755 12.2263 12.2760 12.2938 12.7315 12.7614 13.0398 13.1290 k = 0.5689-0.1369-1.0871 ( 2279 PWs) bands (ev): -39.8213 -39.8213 -19.2350 -19.2032 -17.6043 -17.5799 -17.3894 -17.3679 -7.4476 -7.4469 -7.3153 -7.2879 2.4802 2.4986 2.7260 2.7490 3.6577 3.6890 4.0081 4.0194 4.4207 4.4343 4.5074 4.5293 8.8911 8.9121 12.1785 12.2110 12.3176 12.3269 12.7269 12.7519 13.0528 13.1425 k = 0.5636-0.1164-1.0871 ( 2281 PWs) bands (ev): -39.8216 -39.8216 -19.2338 -19.2041 -17.6057 -17.5834 -17.3835 -17.3629 -7.4499 -7.4493 -7.3188 -7.2932 2.4542 2.4710 2.7267 2.7478 3.6564 3.6851 4.0323 4.0417 4.4476 4.4661 4.5452 4.5520 8.8445 8.8642 12.1646 12.1849 12.3571 12.3738 12.7304 12.7519 13.0642 13.1539 k = 0.5583-0.0959-1.0871 ( 2279 PWs) bands (ev): -39.8219 -39.8219 -19.2325 -19.2051 -17.6069 -17.5866 -17.3777 -17.3583 -7.4521 -7.4515 -7.3221 -7.2984 2.4300 2.4454 2.7272 2.7464 3.6549 3.6809 4.0570 4.0660 4.4532 4.4802 4.5911 4.5981 8.8003 8.8187 12.1403 12.1528 12.3997 12.4216 12.7402 12.7599 13.0741 13.1632 k = 0.5530-0.0754-1.0871 ( 2277 PWs) bands (ev): -39.8222 -39.8222 -19.2313 -19.2061 -17.6080 -17.5897 -17.3722 -17.3540 -7.4541 -7.4535 -7.3252 -7.3034 2.4077 2.4216 2.7274 2.7447 3.6531 3.6766 4.0819 4.0920 4.4517 4.4825 4.6407 4.6507 8.7588 8.7759 12.1101 12.1176 12.4431 12.4683 12.7546 12.7734 13.0826 13.1704 k = 0.5477-0.0549-1.0871 ( 2276 PWs) bands (ev): -39.8224 -39.8224 -19.2300 -19.2072 -17.6089 -17.5926 -17.3669 -17.3502 -7.4560 -7.4554 -7.3279 -7.3082 2.3873 2.3998 2.7274 2.7428 3.6512 3.6723 4.1071 4.1191 4.4470 4.4795 4.6908 4.7016 8.7204 8.7360 12.0770 12.0817 12.4859 12.5130 12.7721 12.7904 13.0901 13.1757 k = 0.5424-0.0345-1.0871 ( 2276 PWs) bands (ev): -39.8226 -39.8226 -19.2287 -19.2083 -17.6097 -17.5953 -17.3620 -17.3468 -7.4577 -7.4572 -7.3303 -7.3127 2.3690 2.3801 2.7273 2.7409 3.6494 3.6680 4.1324 4.1467 4.4401 4.4734 4.7385 4.7492 8.6851 8.6994 12.0431 12.0468 12.5270 12.5550 12.7913 12.8089 13.0969 13.1793 k = 0.5371-0.0140-1.0871 ( 2274 PWs) bands (ev): -39.8228 -39.8228 -19.2274 -19.2094 -17.6103 -17.5978 -17.3574 -17.3439 -7.4592 -7.4587 -7.3324 -7.3168 2.3528 2.3625 2.7272 2.7390 3.6478 3.6640 4.1578 4.1744 4.4313 4.4650 4.7826 4.7927 8.6535 8.6662 12.0104 12.0139 12.5654 12.5934 12.8111 12.8276 13.1034 13.1813 k = 0.5318 0.0065-1.0871 ( 2280 PWs) bands (ev): -39.8230 -39.8230 -19.2261 -19.2106 -17.6107 -17.6000 -17.3532 -17.3415 -7.4605 -7.4601 -7.3341 -7.3207 2.3388 2.3470 2.7270 2.7370 3.6463 3.6602 4.1831 4.2020 4.4208 4.4546 4.8223 4.8314 8.6255 8.6366 11.9802 11.9837 12.6006 12.6276 12.8306 12.8455 13.1099 13.1818 k = 0.5265 0.0270-1.0871 ( 2280 PWs) bands (ev): -39.8232 -39.8232 -19.2248 -19.2118 -17.6110 -17.6021 -17.3495 -17.3396 -7.4617 -7.4613 -7.3354 -7.3242 2.3269 2.3338 2.7269 2.7352 3.6452 3.6567 4.2080 4.2290 4.4088 4.4423 4.8570 4.8649 8.6016 8.6110 11.9536 11.9569 12.6319 12.6568 12.8489 12.8617 13.1169 13.1810 k = 0.5212 0.0475-1.0871 ( 2284 PWs) bands (ev): -39.8234 -39.8234 -19.2235 -19.2131 -17.6110 -17.6039 -17.3462 -17.3382 -7.4626 -7.4623 -7.3363 -7.3273 2.3173 2.3227 2.7269 2.7335 3.6444 3.6536 4.2323 4.2553 4.3954 4.4283 4.8862 4.8928 8.5819 8.5895 11.9312 11.9341 12.6589 12.6806 12.8652 12.8756 13.1244 13.1788 k = 0.5159 0.0680-1.0871 ( 2284 PWs) bands (ev): -39.8235 -39.8235 -19.2222 -19.2144 -17.6109 -17.6056 -17.3434 -17.3373 -7.4633 -7.4631 -7.3367 -7.3299 2.3099 2.3140 2.7270 2.7319 3.6440 3.6509 4.2559 4.2803 4.3807 4.4127 4.9095 4.9146 8.5666 8.5724 11.9135 11.9158 12.6810 12.6985 12.8789 12.8867 13.1325 13.1753 k = 0.5106 0.0884-1.0871 ( 2288 PWs) bands (ev): -39.8235 -39.8235 -19.2209 -19.2156 -17.6105 -17.6070 -17.3411 -17.3370 -7.4638 -7.4637 -7.3367 -7.3322 2.3048 2.3075 2.7273 2.7305 3.6440 3.6486 4.2783 4.3033 4.3656 4.3956 4.9267 4.9301 8.5559 8.5598 11.9007 11.9023 12.6980 12.7103 12.8893 12.8945 13.1410 13.1705 k = 0.5053 0.1089-1.0871 ( 2294 PWs) bands (ev): -39.8236 -39.8236 -19.2195 -19.2169 -17.6099 -17.6082 -17.3392 -17.3372 -7.4641 -7.4641 -7.3363 -7.3340 2.3020 2.3034 2.7278 2.7294 3.6444 3.6467 4.2992 4.3202 4.3540 4.3776 4.9374 4.9392 8.5498 8.5517 11.8931 11.8940 12.7097 12.7160 12.8963 12.8989 13.1494 13.1645 k = 0.5000 0.1294-1.0871 ( 2294 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6092 -17.3380 -17.3380 -7.4642 -7.4642 -7.3354 -7.3354 2.3015 2.3015 2.7285 2.7285 3.6453 3.6453 4.3166 4.3166 4.3602 4.3602 4.9416 4.9416 8.5484 8.5484 11.8909 11.8909 12.7157 12.7157 12.8995 12.8995 13.1574 13.1574 k = 0.5000 0.1294-1.0871 ( 2294 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6092 -17.3380 -17.3380 -7.4642 -7.4642 -7.3354 -7.3354 2.3015 2.3015 2.7285 2.7285 3.6453 3.6453 4.3166 4.3166 4.3602 4.3602 4.9416 4.9416 8.5484 8.5484 11.8909 11.8909 12.7157 12.7157 12.8995 12.8995 13.1574 13.1574 k = 0.5177 0.1340-1.0784 ( 2291 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6091 -17.3380 -17.3379 -7.4645 -7.4638 -7.3358 -7.3351 2.3006 2.3018 2.7280 2.7298 3.6439 3.6451 4.3174 4.3177 4.3597 4.3603 4.9423 4.9423 8.5484 8.5486 11.8912 11.8924 12.7136 12.7164 12.8973 12.8999 13.1560 13.1584 k = 0.5353 0.1386-1.0698 ( 2291 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6091 -17.6091 -17.3379 -17.3379 -7.4647 -7.4633 -7.3365 -7.3351 2.2991 2.3014 2.7284 2.7320 3.6408 3.6433 4.3201 4.3205 4.3586 4.3598 4.9442 4.9444 8.5487 8.5491 11.8932 11.8957 12.7100 12.7155 12.8935 12.8986 13.1544 13.1592 k = 0.5530 0.1431-1.0611 ( 2287 PWs) bands (ev): -39.8236 -39.8236 -19.2181 -19.2181 -17.6091 -17.6090 -17.3379 -17.3379 -7.4649 -7.4627 -7.3374 -7.3353 2.2970 2.3003 2.7297 2.7349 3.6363 3.6399 4.3244 4.3245 4.3573 4.3594 4.9475 4.9477 8.5492 8.5498 11.8970 11.9007 12.7049 12.7132 12.8881 12.8955 13.1526 13.1595 k = 0.5707 0.1477-1.0524 ( 2287 PWs) bands (ev): -39.8237 -39.8237 -19.2181 -19.2180 -17.6090 -17.6089 -17.3379 -17.3379 -7.4649 -7.4621 -7.3386 -7.3357 2.2944 2.2986 2.7320 2.7386 3.6303 3.6349 4.3289 4.3293 4.3565 4.3599 4.9519 4.9522 8.5499 8.5508 11.9025 11.9074 12.6986 12.7094 12.8812 12.8907 13.1506 13.1595 k = 0.5884 0.1523-1.0437 ( 2285 PWs) bands (ev): -39.8237 -39.8237 -19.2180 -19.2179 -17.6088 -17.6087 -17.3379 -17.3378 -7.4649 -7.4613 -7.3399 -7.3363 2.2913 2.2963 2.7351 2.7429 3.6231 3.6284 4.3318 4.3330 4.3584 4.3629 4.9575 4.9578 8.5508 8.5519 11.9095 11.9156 12.6912 12.7044 12.8730 12.8844 13.1484 13.1589 k = 0.6060 0.1569-1.0351 ( 2290 PWs) bands (ev): -39.8237 -39.8237 -19.2179 -19.2178 -17.6087 -17.6085 -17.3378 -17.3378 -7.4648 -7.4605 -7.3415 -7.3372 2.2879 2.2934 2.7390 2.7479 3.6148 3.6207 4.3318 4.3331 4.3649 4.3699 4.9641 4.9644 8.5519 8.5531 11.9178 11.9251 12.6828 12.6982 12.8636 12.8765 13.1459 13.1579 k = 0.6237 0.1614-1.0264 ( 2292 PWs) bands (ev): -39.8238 -39.8238 -19.2177 -19.2176 -17.6085 -17.6083 -17.3378 -17.3377 -7.4646 -7.4596 -7.3433 -7.3382 2.2842 2.2902 2.7438 2.7534 3.6054 3.6117 4.3293 4.3303 4.3755 4.3803 4.9715 4.9719 8.5531 8.5544 11.9274 11.9358 12.6736 12.6909 12.8531 12.8673 13.1431 13.1563 k = 0.6414 0.1660-1.0177 ( 2294 PWs) bands (ev): -39.8239 -39.8239 -19.2176 -19.2175 -17.6083 -17.6081 -17.3377 -17.3377 -7.4644 -7.4586 -7.3453 -7.3395 2.2803 2.2865 2.7494 2.7594 3.5953 3.6018 4.3253 4.3259 4.3887 4.3931 4.9797 4.9801 8.5543 8.5558 11.9379 11.9474 12.6639 12.6829 12.8417 12.8569 13.1400 13.1541 k = 0.6591 0.1706-1.0091 ( 2294 PWs) bands (ev): -39.8239 -39.8239 -19.2174 -19.2173 -17.6081 -17.6078 -17.3377 -17.3376 -7.4641 -7.4575 -7.3475 -7.3410 2.2763 2.2826 2.7557 2.7659 3.5845 3.5910 4.3204 4.3207 4.4036 4.4076 4.9884 4.9889 8.5556 8.5572 11.9492 11.9597 12.6539 12.6743 12.8297 12.8456 13.1365 13.1512 k = 0.6591 0.1706-1.0091 ( 2294 PWs) bands (ev): -39.8239 -39.8239 -19.2174 -19.2173 -17.6081 -17.6078 -17.3377 -17.3376 -7.4641 -7.4575 -7.3475 -7.3410 2.2763 2.2826 2.7557 2.7659 3.5845 3.5910 4.3204 4.3207 4.4036 4.4076 4.9884 4.9889 8.5556 8.5572 11.9492 11.9597 12.6539 12.6743 12.8297 12.8456 13.1365 13.1512 k = 0.6560 0.1698-0.9881 ( 2294 PWs) bands (ev): -39.8242 -39.8242 -19.2166 -19.2164 -17.6069 -17.6066 -17.3374 -17.3373 -7.4668 -7.4604 -7.3501 -7.3437 2.2873 2.2936 2.7597 2.7699 3.5908 3.5972 4.3241 4.3246 4.3978 4.4021 4.9888 4.9893 8.5586 8.5603 11.9429 11.9534 12.6418 12.6618 12.8256 12.8422 13.1144 13.1298 k = 0.6529 0.1690-0.9672 ( 2290 PWs) bands (ev): -39.8245 -39.8245 -19.2154 -19.2153 -17.6054 -17.6050 -17.3369 -17.3369 -7.4700 -7.4637 -7.3541 -7.3479 2.3015 2.3080 2.7664 2.7764 3.5964 3.6027 4.3290 4.3297 4.3928 4.3976 4.9895 4.9900 8.5617 8.5633 11.9361 11.9466 12.6211 12.6406 12.8197 12.8375 13.0854 13.1020 k = 0.6499 0.1682-0.9463 ( 2286 PWs) bands (ev): -39.8249 -39.8249 -19.2141 -19.2138 -17.6035 -17.6030 -17.3364 -17.3363 -7.4736 -7.4674 -7.3595 -7.3534 2.3190 2.3255 2.7757 2.7857 3.6010 3.6073 4.3349 4.3360 4.3888 4.3941 4.9904 4.9909 8.5647 8.5664 11.9287 11.9395 12.5921 12.6112 12.8118 12.8313 13.0500 13.0683 k = 0.6468 0.1674-0.9254 ( 2286 PWs) bands (ev): -39.8254 -39.8254 -19.2124 -19.2121 -17.6012 -17.6007 -17.3358 -17.3357 -7.4777 -7.4714 -7.3663 -7.3603 2.3397 2.3463 2.7876 2.7975 3.6048 3.6110 4.3416 4.3433 4.3860 4.3920 4.9915 4.9920 8.5678 8.5694 11.9208 11.9320 12.5553 12.5740 12.8018 12.8237 13.0086 13.0295 k = 0.6438 0.1666-0.9045 ( 2281 PWs) bands (ev): -39.8260 -39.8260 -19.2105 -19.2102 -17.5985 -17.5980 -17.3350 -17.3349 -7.4821 -7.4758 -7.3746 -7.3685 2.3636 2.3703 2.8020 2.8118 3.6076 3.6138 4.3488 4.3511 4.3847 4.3915 4.9928 4.9933 8.5709 8.5724 11.9123 11.9239 12.5115 12.5300 12.7890 12.8146 12.9622 12.9868 k = 0.6407 0.1658-0.8836 ( 2281 PWs) bands (ev): -39.8267 -39.8267 -19.2083 -19.2080 -17.5955 -17.5949 -17.3341 -17.3339 -7.4869 -7.4805 -7.3842 -7.3780 2.3907 2.3974 2.8187 2.8285 3.6094 3.6157 4.3559 4.3587 4.3859 4.3933 4.9943 4.9948 8.5740 8.5756 11.9030 11.9153 12.4616 12.4801 12.7721 12.8032 12.9117 12.9420 k = 0.6376 0.1650-0.8627 ( 2277 PWs) bands (ev): -39.8275 -39.8275 -19.2059 -19.2056 -17.5922 -17.5915 -17.3330 -17.3328 -7.4921 -7.4854 -7.3952 -7.3888 2.4208 2.4275 2.8378 2.8476 3.6103 3.6165 4.3621 4.3649 4.3908 4.3982 4.9959 4.9965 8.5774 8.5790 11.8930 11.9062 12.4067 12.4254 12.7493 12.7878 12.8597 12.8976 k = 0.6346 0.1642-0.8418 ( 2279 PWs) bands (ev): -39.8283 -39.8283 -19.2033 -19.2029 -17.5886 -17.5878 -17.3318 -17.3316 -7.4976 -7.4907 -7.4074 -7.4008 2.4539 2.4607 2.8591 2.8688 3.6100 3.6163 4.3671 4.3690 4.3999 4.4065 4.9977 4.9984 8.5811 8.5826 11.8822 11.8965 12.3477 12.3669 12.7174 12.7605 12.8145 12.8570 k = 0.6315 0.1635-0.8209 ( 2281 PWs) bands (ev): -39.8292 -39.8292 -19.2005 -19.2001 -17.5847 -17.5838 -17.3303 -17.3301 -7.5036 -7.4962 -7.4209 -7.4139 2.4899 2.4967 2.8825 2.8922 3.6087 3.6150 4.3715 4.3723 4.4123 4.4179 4.9997 5.0004 8.5851 8.5866 11.8703 11.8861 12.2857 12.3057 12.6745 12.7112 12.7869 12.8231 k = 0.6285 0.1627-0.8000 ( 2279 PWs) bands (ev): -39.8302 -39.8302 -19.1975 -19.1970 -17.5805 -17.5796 -17.3287 -17.3285 -7.5100 -7.5020 -7.4356 -7.4280 2.5288 2.5356 2.9079 2.9176 3.6062 3.6125 4.3758 4.3758 4.4268 4.4316 5.0018 5.0025 8.5896 8.5910 11.8574 11.8750 12.2214 12.2428 12.6215 12.6492 12.7681 12.7954 k = 0.6254 0.1619-0.7791 ( 2281 PWs) bands (ev): -39.8313 -39.8313 -19.1943 -19.1938 -17.5760 -17.5751 -17.3269 -17.3267 -7.5168 -7.5080 -7.4514 -7.4429 2.5703 2.5773 2.9350 2.9449 3.6026 3.6089 4.3801 4.3806 4.4429 4.4472 5.0039 5.0047 8.5947 8.5961 11.8430 11.8632 12.1557 12.1793 12.5611 12.5822 12.7507 12.7715 k = 0.6223 0.1611-0.7582 ( 2277 PWs) bands (ev): -39.8323 -39.8323 -19.1910 -19.1905 -17.5714 -17.5704 -17.3249 -17.3246 -7.5243 -7.5142 -7.4682 -7.4585 2.6145 2.6215 2.9639 2.9739 3.5978 3.6042 4.3854 4.3863 4.4604 4.4643 5.0062 5.0070 8.6006 8.6020 11.8271 11.8506 12.0893 12.1159 12.4959 12.5126 12.7331 12.7494 k = 0.6193 0.1603-0.7373 ( 2279 PWs) bands (ev): -39.8335 -39.8335 -19.1875 -19.1870 -17.5665 -17.5655 -17.3226 -17.3223 -7.5325 -7.5207 -7.4860 -7.4746 2.6611 2.6682 2.9943 3.0044 3.5919 3.5983 4.3920 4.3931 4.4791 4.4828 5.0085 5.0093 8.6074 8.6087 11.8090 11.8372 12.0229 12.0538 12.4277 12.4413 12.7145 12.7278 k = 0.6162 0.1595-0.7164 ( 2283 PWs) bands (ev): -39.8348 -39.8348 -19.1839 -19.1833 -17.5615 -17.5604 -17.3200 -17.3198 -7.5419 -7.5275 -7.5045 -7.4906 2.7100 2.7171 3.0260 3.0363 3.5848 3.5913 4.3999 4.4011 4.4990 4.5024 5.0108 5.0117 8.6152 8.6165 11.7881 11.8229 11.9570 11.9943 12.3577 12.3692 12.6949 12.7061 k = 0.6132 0.1587-0.6955 ( 2283 PWs) bands (ev): -39.8361 -39.8361 -19.1801 -19.1796 -17.5564 -17.5553 -17.3172 -17.3169 -7.5529 -7.5353 -7.5231 -7.5059 2.7609 2.7681 3.0589 3.0695 3.5768 3.5834 4.4092 4.4105 4.5199 4.5232 5.0131 5.0141 8.6241 8.6253 11.7631 11.8072 11.8924 11.9389 12.2866 12.2965 12.6741 12.6837 k = 0.6101 0.1579-0.6746 ( 2283 PWs) bands (ev): -39.8374 -39.8374 -19.1763 -19.1757 -17.5512 -17.5500 -17.3141 -17.3138 -7.5661 -7.5481 -7.5375 -7.5200 2.8136 2.8209 3.0928 3.1036 3.5680 3.5747 4.4201 4.4214 4.5418 4.5451 5.0155 5.0165 8.6343 8.6355 11.7324 11.7880 11.8319 11.8897 12.2151 12.2238 12.6520 12.6604 k = 0.6071 0.1571-0.6537 ( 2281 PWs) bands (ev): -39.8387 -39.8387 -19.1725 -19.1718 -17.5459 -17.5447 -17.3107 -17.3103 -7.5818 -7.5677 -7.5459 -7.5323 2.8678 2.8752 3.1275 3.1387 3.5585 3.5654 4.4326 4.4339 4.5647 4.5679 5.0177 5.0188 8.6459 8.6470 11.6948 11.7512 11.7896 11.8481 12.1436 12.1514 12.6287 12.6362 k = 0.6040 0.1563-0.6327 ( 2279 PWs) bands (ev): -39.8401 -39.8401 -19.1685 -19.1679 -17.5406 -17.5393 -17.3069 -17.3066 -7.5998 -7.5891 -7.5533 -7.5431 2.9229 2.9304 3.1627 3.1744 3.5488 3.5559 4.4468 4.4480 4.5884 4.5917 5.0200 5.0211 8.6589 8.6599 11.6509 11.6947 11.7681 11.8140 12.0726 12.0797 12.6042 12.6109 k = 0.6009 0.1555-0.6118 ( 2276 PWs) bands (ev): -39.8416 -39.8416 -19.1645 -19.1639 -17.5353 -17.5340 -17.3028 -17.3024 -7.6196 -7.6112 -7.5605 -7.5527 2.9783 2.9859 3.1984 3.2106 3.5394 3.5468 4.4628 4.4638 4.6130 4.6163 5.0221 5.0234 8.6735 8.6744 11.6026 11.6359 11.7503 11.7856 12.0024 12.0090 12.5784 12.5845 k = 0.5979 0.1547-0.5909 ( 2275 PWs) bands (ev): -39.8430 -39.8430 -19.1605 -19.1599 -17.5300 -17.5287 -17.2983 -17.2980 -7.6406 -7.6340 -7.5676 -7.5615 3.0330 3.0407 3.2342 3.2469 3.5313 3.5391 4.4805 4.4814 4.6383 4.6416 5.0242 5.0255 8.6896 8.6905 11.5521 11.5779 11.7329 11.7609 11.9334 11.9396 12.5514 12.5570 k = 0.5948 0.1540-0.5700 ( 2270 PWs) bands (ev): -39.8445 -39.8445 -19.1565 -19.1559 -17.5248 -17.5235 -17.2935 -17.2932 -7.6625 -7.6571 -7.5748 -7.5698 3.0856 3.0931 3.2701 3.2831 3.5260 3.5341 4.5000 4.5007 4.6643 4.6677 5.0261 5.0276 8.7073 8.7082 11.5010 11.5216 11.7155 11.7384 11.8661 11.8719 12.5233 12.5284 k = 0.5918 0.1532-0.5491 ( 2267 PWs) bands (ev): -39.8460 -39.8460 -19.1526 -19.1519 -17.5197 -17.5184 -17.2883 -17.2880 -7.6851 -7.6805 -7.5819 -7.5778 3.1340 3.1409 3.3060 3.3187 3.5257 3.5340 4.5214 4.5219 4.6908 4.6944 5.0279 5.0296 8.7267 8.7275 11.4503 11.4672 11.6976 11.7167 11.8010 11.8067 12.4940 12.4988 k = 0.5887 0.1524-0.5282 ( 2277 PWs) bands (ev): -39.8475 -39.8475 -19.1486 -19.1479 -17.5148 -17.5135 -17.2828 -17.2825 -7.7081 -7.7042 -7.5890 -7.5856 3.1752 3.1808 3.3418 3.3532 3.5338 3.5419 4.5446 4.5449 4.7179 4.7217 5.0296 5.0315 8.7477 8.7484 11.4006 11.4146 11.6777 11.6933 11.7406 11.7454 12.4637 12.4681 k = 0.5856 0.1516-0.5073 ( 2279 PWs) bands (ev): -39.8491 -39.8491 -19.1447 -19.1440 -17.5100 -17.5087 -17.2769 -17.2766 -7.7314 -7.7280 -7.5961 -7.5932 3.2057 3.2096 3.3774 3.3860 3.5539 3.5609 4.5696 4.5698 4.7454 4.7494 5.0312 5.0333 8.7703 8.7709 11.3525 11.3642 11.6491 11.6568 11.6952 11.6964 12.4324 12.4365 k = 0.5826 0.1508-0.4864 ( 2279 PWs) bands (ev): -39.8506 -39.8506 -19.1408 -19.1402 -17.5054 -17.5041 -17.2707 -17.2704 -7.7549 -7.7518 -7.6031 -7.6006 3.2234 3.2254 3.4124 3.4176 3.5876 3.5929 4.5963 4.5964 4.7733 4.7776 5.0327 5.0350 8.7944 8.7949 11.3059 11.3158 11.6021 11.6028 11.6662 11.6727 12.4002 12.4041 k = 0.5795 0.1500-0.4655 ( 2275 PWs) bands (ev): -39.8521 -39.8521 -19.1370 -19.1364 -17.5009 -17.4997 -17.2642 -17.2639 -7.7784 -7.7756 -7.6100 -7.6078 3.2287 3.2293 3.4463 3.4488 3.6336 3.6374 4.6246 4.6248 4.8013 4.8060 5.0340 5.0366 8.8199 8.8204 11.2612 11.2696 11.5460 11.5473 11.6480 11.6552 12.3672 12.3709 k = 0.5765 0.1492-0.4446 ( 2277 PWs) bands (ev): -39.8537 -39.8537 -19.1333 -19.1327 -17.4967 -17.4955 -17.2574 -17.2571 -7.8018 -7.7993 -7.6168 -7.6149 3.2239 3.2239 3.4789 3.4797 3.6889 3.6918 4.6544 4.6549 4.8294 4.8346 5.0353 5.0383 8.8467 8.8471 11.2185 11.2255 11.4903 11.4922 11.6332 11.6399 12.3335 12.3370 k = 0.5734 0.1484-0.4237 ( 2277 PWs) bands (ev): -39.8552 -39.8552 -19.1297 -19.1291 -17.4927 -17.4915 -17.2503 -17.2500 -7.8251 -7.8229 -7.6235 -7.6218 3.2119 3.2123 3.5100 3.5100 3.7508 3.7531 4.6857 4.6864 4.8574 4.8633 5.0365 5.0401 8.8747 8.8750 11.1777 11.1837 11.4365 11.4387 11.6204 11.6264 12.2992 12.3025 k = 0.5704 0.1476-0.4028 ( 2277 PWs) bands (ev): -39.8567 -39.8567 -19.1262 -19.1256 -17.4889 -17.4877 -17.2430 -17.2428 -7.8481 -7.8461 -7.6301 -7.6286 3.1954 3.1959 3.5395 3.5397 3.8170 3.8191 4.7181 4.7191 4.8850 4.8918 5.0378 5.0421 8.9036 8.9039 11.1390 11.1440 11.3850 11.3873 11.6092 11.6144 12.2645 12.2676 k = 0.5673 0.1468-0.3819 ( 2271 PWs) bands (ev): -39.8581 -39.8581 -19.1228 -19.1222 -17.4853 -17.4841 -17.2356 -17.2353 -7.8709 -7.8690 -7.6365 -7.6352 3.1759 3.1764 3.5679 3.5681 3.8863 3.8882 4.7517 4.7529 4.9119 4.9200 5.0394 5.0447 8.9335 8.9337 11.1025 11.1066 11.3358 11.3381 11.5996 11.6041 12.2295 12.2325 k = 0.5642 0.1460-0.3610 ( 2269 PWs) bands (ev): -39.8596 -39.8596 -19.1195 -19.1189 -17.4819 -17.4807 -17.2279 -17.2277 -7.8932 -7.8915 -7.6428 -7.6416 3.1545 3.1549 3.5949 3.5952 3.9573 3.9593 4.7860 4.7876 4.9376 4.9475 5.0415 5.0483 8.9639 8.9640 11.0681 11.0714 11.2891 11.2913 11.5917 11.5955 12.1943 12.1971 k = 0.5612 0.1452-0.3401 ( 2267 PWs) bands (ev): -39.8610 -39.8610 -19.1164 -19.1158 -17.4787 -17.4776 -17.2203 -17.2201 -7.9150 -7.9135 -7.6489 -7.6478 3.1317 3.1321 3.6207 3.6208 4.0295 4.0315 4.8207 4.8229 4.9611 4.9735 5.0449 5.0537 8.9947 8.9948 11.0359 11.0386 11.2448 11.2470 11.5855 11.5887 12.1591 12.1618 k = 0.5581 0.1445-0.3192 ( 2271 PWs) bands (ev): -39.8624 -39.8624 -19.1134 -19.1128 -17.4757 -17.4747 -17.2125 -17.2123 -7.9363 -7.9349 -7.6548 -7.6538 3.1082 3.1086 3.6451 3.6451 4.1022 4.1042 4.8557 4.8584 4.9811 4.9961 5.0514 5.0624 9.0257 9.0257 11.0060 11.0080 11.2030 11.2052 11.5811 11.5838 12.1241 12.1267 k = 0.5551 0.1437-0.2983 ( 2271 PWs) bands (ev): -39.8637 -39.8637 -19.1105 -19.1099 -17.4729 -17.4719 -17.2048 -17.2046 -7.9570 -7.9557 -7.6605 -7.6596 3.0843 3.0847 3.6680 3.6681 4.1749 4.1769 4.8903 4.8939 4.9962 5.0128 5.0638 5.0755 9.0566 9.0566 10.9783 10.9798 11.1638 11.1659 11.5786 11.5808 12.0895 12.0919 k = 0.5520 0.1429-0.2773 ( 2271 PWs) bands (ev): -39.8650 -39.8650 -19.1078 -19.1072 -17.4703 -17.4694 -17.1971 -17.1970 -7.9770 -7.9757 -7.6659 -7.6652 3.0604 3.0607 3.6896 3.6898 4.2470 4.2491 4.9239 4.9288 5.0063 5.0229 5.0831 5.0934 9.0871 9.0873 10.9529 10.9539 11.1270 11.1290 11.5780 11.5797 12.0553 12.0577 k = 0.5489 0.1421-0.2564 ( 2271 PWs) bands (ev): -39.8662 -39.8662 -19.1052 -19.1046 -17.4679 -17.4670 -17.1896 -17.1895 -7.9962 -7.9950 -7.6712 -7.6705 3.0367 3.0370 3.7098 3.7100 4.3182 4.3204 4.9553 4.9625 5.0133 5.0301 5.1062 5.1144 9.1171 9.1173 10.9298 10.9304 11.0928 11.0947 11.5793 11.5806 12.0219 12.0241 k = 0.5459 0.1413-0.2355 ( 2269 PWs) bands (ev): -39.8674 -39.8674 -19.1027 -19.1022 -17.4656 -17.4648 -17.1822 -17.1821 -8.0145 -8.0135 -7.6761 -7.6755 3.0135 3.0137 3.7287 3.7290 4.3881 4.3903 4.9819 4.9919 5.0213 5.0391 5.1307 5.1372 9.1463 9.1465 10.9090 10.9092 11.0611 11.0629 11.5825 11.5835 11.9894 11.9915 k = 0.5428 0.1405-0.2146 ( 2259 PWs) bands (ev): -39.8685 -39.8685 -19.1004 -19.1000 -17.4636 -17.4628 -17.1750 -17.1749 -8.0320 -8.0311 -7.6808 -7.6803 2.9909 2.9911 3.7463 3.7466 4.4562 4.4583 4.9996 5.0075 5.0407 5.0551 5.1555 5.1606 9.1744 9.1747 10.8904 10.8905 11.0319 11.0336 11.5875 11.5881 11.9580 11.9599 k = 0.5398 0.1397-0.1937 ( 2257 PWs) bands (ev): -39.8696 -39.8696 -19.0983 -19.0979 -17.4617 -17.4610 -17.1681 -17.1680 -8.0486 -8.0477 -7.6853 -7.6848 2.9692 2.9693 3.7626 3.7629 4.5220 4.5242 5.0081 5.0119 5.0690 5.0783 5.1800 5.1840 9.2013 9.2016 10.8740 10.8743 11.0052 11.0067 11.5941 11.5945 11.9279 11.9297 k = 0.5367 0.1389-0.1728 ( 2255 PWs) bands (ev): -39.8705 -39.8705 -19.0963 -19.0959 -17.4599 -17.4593 -17.1615 -17.1615 -8.0641 -8.0633 -7.6894 -7.6890 2.9484 2.9486 3.7777 3.7780 4.5852 4.5874 5.0118 5.0135 5.0980 5.1043 5.2037 5.2070 9.2266 9.2270 10.8597 10.8603 10.9809 10.9823 11.6022 11.6023 11.8992 11.9009 k = 0.5336 0.1381-0.1519 ( 2258 PWs) bands (ev): -39.8715 -39.8715 -19.0945 -19.0941 -17.4583 -17.4577 -17.1553 -17.1552 -8.0786 -8.0779 -7.6933 -7.6929 2.9288 2.9290 3.7915 3.7918 4.6453 4.6475 5.0136 5.0143 5.1257 5.1304 5.2267 5.2292 9.2502 9.2506 10.8477 10.8483 10.9591 10.9603 11.6115 11.6115 11.8723 11.8738 k = 0.5306 0.1373-0.1310 ( 2262 PWs) bands (ev): -39.8724 -39.8724 -19.0929 -19.0925 -17.4569 -17.4563 -17.1494 -17.1494 -8.0920 -8.0913 -7.6968 -7.6964 2.9105 2.9106 3.8041 3.8043 4.7019 4.7040 5.0145 5.0147 5.1515 5.1552 5.2485 5.2505 9.2720 9.2724 10.8376 10.8383 10.9398 10.9408 11.6216 11.6218 11.8472 11.8486 k = 0.5275 0.1365-0.1101 ( 2260 PWs) bands (ev): -39.8732 -39.8732 -19.0914 -19.0910 -17.4556 -17.4551 -17.1440 -17.1440 -8.1042 -8.1036 -7.7000 -7.6997 2.8936 2.8937 3.8154 3.8157 4.7544 4.7565 5.0151 5.0152 5.1753 5.1781 5.2691 5.2706 9.2918 9.2922 10.8293 10.8300 10.9229 10.9238 11.6324 11.6326 11.8243 11.8255 k = 0.5245 0.1357-0.0892 ( 2262 PWs) bands (ev): -39.8739 -39.8739 -19.0900 -19.0897 -17.4544 -17.4540 -17.1390 -17.1390 -8.1153 -8.1148 -7.7030 -7.7027 2.8782 2.8783 3.8256 3.8258 4.8024 4.8044 5.0157 5.0159 5.1967 5.1990 5.2883 5.2894 9.3095 9.3100 10.8225 10.8232 10.9086 10.9093 11.6432 11.6435 11.8038 11.8048 k = 0.5214 0.1350-0.0683 ( 2258 PWs) bands (ev): -39.8745 -39.8745 -19.0888 -19.0886 -17.4534 -17.4530 -17.1346 -17.1346 -8.1251 -8.1247 -7.7055 -7.7053 2.8644 2.8644 3.8345 3.8347 4.8453 4.8472 5.0166 5.0170 5.2156 5.2175 5.3058 5.3066 9.3251 9.3255 10.8170 10.8176 10.8968 10.8972 11.6537 11.6541 11.7859 11.7868 k = 0.5184 0.1342-0.0474 ( 2252 PWs) bands (ev): -39.8750 -39.8750 -19.0878 -19.0876 -17.4525 -17.4522 -17.1307 -17.1307 -8.1337 -8.1333 -7.7078 -7.7076 2.8522 2.8523 3.8423 3.8425 4.8825 4.8843 5.0183 5.0187 5.2321 5.2336 5.3214 5.3219 9.3386 9.3390 10.8125 10.8129 10.8874 10.8876 11.6632 11.6635 11.7711 11.7718 k = 0.5153 0.1334-0.0265 ( 2246 PWs) bands (ev): -39.8755 -39.8755 -19.0869 -19.0867 -17.4518 -17.4515 -17.1273 -17.1273 -8.1410 -8.1407 -7.7097 -7.7095 2.8418 2.8419 3.8488 3.8490 4.9133 4.9149 5.0210 5.0214 5.2461 5.2472 5.3350 5.3353 9.3499 9.3502 10.8088 10.8090 10.8803 10.8804 11.6710 11.6712 11.7596 11.7601 k = 0.5122 0.1326-0.0056 ( 2246 PWs) bands (ev): -39.8759 -39.8759 -19.0862 -19.0861 -17.4512 -17.4510 -17.1245 -17.1245 -8.1470 -8.1468 -7.7113 -7.7111 2.8333 2.8333 3.8542 3.8543 4.9372 4.9385 5.0252 5.0254 5.2575 5.2584 5.3464 5.3466 9.3591 9.3594 10.8056 10.8057 10.8752 10.8752 11.6764 11.6765 11.7517 11.7520 k = 0.5092 0.1318 0.0153 ( 2244 PWs) bands (ev): -39.8762 -39.8762 -19.0856 -19.0855 -17.4507 -17.4505 -17.1223 -17.1223 -8.1517 -8.1515 -7.7125 -7.7124 2.8265 2.8266 3.8584 3.8585 4.9540 4.9550 5.0305 5.0307 5.2664 5.2671 5.3554 5.3555 9.3662 9.3664 10.8030 10.8031 10.8717 10.8718 11.6793 11.6794 11.7473 11.7474 k = 0.5061 0.1310 0.0362 ( 2237 PWs) bands (ev): -39.8763 -39.8763 -19.0852 -19.0852 -17.4503 -17.4502 -17.1208 -17.1208 -8.1551 -8.1549 -7.7133 -7.7133 2.8217 2.8217 3.8614 3.8614 4.9644 4.9650 5.0361 5.0362 5.2728 5.2732 5.3619 5.3619 9.3712 9.3714 10.8010 10.8011 10.8697 10.8698 11.6803 11.6804 11.7454 11.7454 k = 0.5031 0.1302 0.0571 ( 2224 PWs) bands (ev): -39.8764 -39.8764 -19.0850 -19.0849 -17.4501 -17.4501 -17.1198 -17.1198 -8.1571 -8.1570 -7.7138 -7.7138 2.8188 2.8188 3.8632 3.8632 4.9699 4.9702 5.0404 5.0404 5.2767 5.2769 5.3659 5.3659 9.3742 9.3743 10.7998 10.7998 10.8686 10.8687 11.6804 11.6804 11.7449 11.7449 k = 0.5000 0.1294 0.0781 ( 2228 PWs) bands (ev): -39.8765 -39.8765 -19.0849 -19.0849 -17.4500 -17.4500 -17.1195 -17.1195 -8.1577 -8.1577 -7.7140 -7.7140 2.8179 2.8179 3.8638 3.8638 4.9717 4.9717 5.0420 5.0420 5.2781 5.2781 5.3672 5.3672 9.3753 9.3753 10.7994 10.7994 10.8683 10.8683 11.6803 11.6803 11.7449 11.7449 k = 0.5000-0.9012-0.5436 ( 2286 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6092 -17.3379 -17.3379 -7.4119 -7.4119 -7.3873 -7.3873 2.1777 2.1777 2.8558 2.8558 3.3974 3.3974 4.2295 4.2295 4.6572 4.6572 5.1078 5.1078 8.5451 8.5451 12.1333 12.1333 12.6222 12.6222 12.6899 12.6899 13.1826 13.1826 k = 0.5187-0.8936-0.5390 ( 2287 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6092 -17.3379 -17.3379 -7.4150 -7.4097 -7.3894 -7.3842 2.1780 2.1783 2.8551 2.8555 3.3983 3.3983 4.2299 4.2300 4.6560 4.6561 5.1073 5.1073 8.5451 8.5454 12.1321 12.1337 12.6207 12.6229 12.6897 12.6911 13.1818 13.1830 k = 0.5374-0.8860-0.5344 ( 2290 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6091 -17.3379 -17.3379 -7.4185 -7.4093 -7.3900 -7.3807 2.1792 2.1798 2.8532 2.8541 3.4010 3.4011 4.2310 4.2312 4.6524 4.6526 5.1056 5.1057 8.5453 8.5458 12.1301 12.1333 12.6183 12.6227 12.6907 12.6935 13.1808 13.1833 k = 0.5561-0.8784-0.5298 ( 2288 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6092 -17.6091 -17.3379 -17.3379 -7.4223 -7.4107 -7.3886 -7.3770 2.1813 2.1823 2.8504 2.8518 3.4054 3.4056 4.2330 4.2333 4.6466 4.6468 5.1028 5.1030 8.5457 8.5464 12.1271 12.1320 12.6152 12.6220 12.6928 12.6971 13.1795 13.1832 k = 0.5748-0.8707-0.5252 ( 2288 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2182 -17.6091 -17.6091 -17.3379 -17.3379 -7.4261 -7.4134 -7.3861 -7.3733 2.1843 2.1856 2.8465 2.8485 3.4115 3.4118 4.2358 4.2361 4.6386 4.6388 5.0990 5.0992 8.5462 8.5471 12.1230 12.1295 12.6116 12.6208 12.6963 12.7020 13.1780 13.1829 k = 0.5936-0.8631-0.5206 ( 2284 PWs) bands (ev): -39.8236 -39.8236 -19.2182 -19.2181 -17.6091 -17.6090 -17.3379 -17.3379 -7.4299 -7.4168 -7.3828 -7.3697 2.1881 2.1897 2.8417 2.8444 3.4192 3.4198 4.2393 4.2397 4.6284 4.6286 5.0943 5.0944 8.5469 8.5480 12.1175 12.1256 12.6080 12.6196 12.7012 12.7082 13.1762 13.1822 k = 0.6123-0.8555-0.5160 ( 2278 PWs) bands (ev): -39.8236 -39.8236 -19.2181 -19.2181 -17.6091 -17.6090 -17.3379 -17.3379 -7.4337 -7.4205 -7.3793 -7.3661 2.1927 2.1947 2.8361 2.8395 3.4283 3.4292 4.2435 4.2440 4.6163 4.6164 5.0885 5.0887 8.5477 8.5490 12.1104 12.1200 12.6047 12.6187 12.7075 12.7159 13.1742 13.1814 k = 0.6310-0.8479-0.5114 ( 2274 PWs) bands (ev): -39.8236 -39.8236 -19.2181 -19.2180 -17.6090 -17.6089 -17.3379 -17.3379 -7.4374 -7.4244 -7.3758 -7.3627 2.1980 2.2004 2.8298 2.8340 3.4388 3.4401 4.2484 4.2489 4.6022 4.6023 5.0818 5.0821 8.5486 8.5501 12.1016 12.1125 12.6024 12.6186 12.7151 12.7247 13.1719 13.1802 k = 0.6497-0.8403-0.5068 ( 2275 PWs) bands (ev): -39.8236 -39.8236 -19.2181 -19.2180 -17.6090 -17.6088 -17.3379 -17.3378 -7.4409 -7.4282 -7.3722 -7.3594 2.2040 2.2068 2.8229 2.8279 3.4505 3.4524 4.2540 4.2546 4.5864 4.5865 5.0744 5.0747 8.5495 8.5512 12.0909 12.1030 12.6014 12.6197 12.7240 12.7347 13.1693 13.1787 k = 0.6684-0.8327-0.5022 ( 2273 PWs) bands (ev): -39.8236 -39.8236 -19.2180 -19.2179 -17.6089 -17.6088 -17.3379 -17.3378 -7.4443 -7.4320 -7.3687 -7.3564 2.2106 2.2139 2.8155 2.8214 3.4633 3.4657 4.2602 4.2607 4.5689 4.5693 5.0662 5.0665 8.5505 8.5523 12.0785 12.0915 12.6022 12.6222 12.7339 12.7457 13.1665 13.1770 k = 0.6871-0.8251-0.4976 ( 2274 PWs) bands (ev): -39.8236 -39.8236 -19.2180 -19.2179 -17.6088 -17.6087 -17.3378 -17.3378 -7.4476 -7.4358 -7.3654 -7.3535 2.2178 2.2216 2.8078 2.8145 3.4770 3.4801 4.2669 4.2675 4.5500 4.5507 5.0574 5.0577 8.5515 8.5533 12.0644 12.0780 12.6047 12.6262 12.7446 12.7574 13.1635 13.1749 k = 0.7058-0.8175-0.4930 ( 2275 PWs) bands (ev): -39.8237 -39.8237 -19.2179 -19.2178 -17.6087 -17.6086 -17.3378 -17.3378 -7.4506 -7.4394 -7.3622 -7.3509 2.2255 2.2298 2.7998 2.8075 3.4915 3.4952 4.2740 4.2746 4.5301 4.5311 5.0480 5.0484 8.5524 8.5543 12.0490 12.0628 12.6090 12.6315 12.7561 12.7698 13.1602 13.1725 k = 0.7245-0.8098-0.4885 ( 2273 PWs) bands (ev): -39.8237 -39.8237 -19.2178 -19.2177 -17.6086 -17.6085 -17.3378 -17.3378 -7.4534 -7.4429 -7.3592 -7.3485 2.2336 2.2383 2.7918 2.8002 3.5066 3.5110 4.2815 4.2821 4.5092 4.5107 5.0383 5.0387 8.5533 8.5552 12.0325 12.0464 12.6148 12.6380 12.7681 12.7827 13.1567 13.1698 k = 0.7433-0.8022-0.4839 ( 2276 PWs) bands (ev): -39.8237 -39.8237 -19.2178 -19.2177 -17.6085 -17.6084 -17.3378 -17.3377 -7.4561 -7.4462 -7.3564 -7.3464 2.2419 2.2471 2.7839 2.7930 3.5222 3.5272 4.2893 4.2898 4.4878 4.4897 5.0283 5.0287 8.5540 8.5559 12.0155 12.0290 12.6218 12.6453 12.7805 12.7957 13.1530 13.1668 k = 0.7620-0.7946-0.4793 ( 2281 PWs) bands (ev): -39.8238 -39.8238 -19.2177 -19.2176 -17.6084 -17.6082 -17.3378 -17.3377 -7.4584 -7.4493 -7.3538 -7.3446 2.2505 2.2561 2.7761 2.7859 3.5380 3.5436 4.2973 4.2977 4.4661 4.4685 5.0181 5.0186 8.5546 8.5565 11.9982 12.0112 12.6297 12.6530 12.7930 12.8087 13.1491 13.1634 k = 0.7807-0.7870-0.4747 ( 2284 PWs) bands (ev): -39.8238 -39.8238 -19.2176 -19.2175 -17.6083 -17.6081 -17.3377 -17.3377 -7.4606 -7.4523 -7.3514 -7.3431 2.2592 2.2651 2.7687 2.7789 3.5538 3.5598 4.3053 4.3056 4.4446 4.4475 5.0080 5.0084 8.5551 8.5569 11.9811 11.9934 12.6380 12.6607 12.8055 12.8216 13.1450 13.1597 k = 0.7994-0.7794-0.4701 ( 2290 PWs) bands (ev): -39.8239 -39.8239 -19.2175 -19.2174 -17.6082 -17.6080 -17.3377 -17.3376 -7.4625 -7.4550 -7.3494 -7.3419 2.2678 2.2740 2.7619 2.7722 3.5694 3.5758 4.3131 4.3132 4.4236 4.4270 4.9980 4.9985 8.5554 8.5572 11.9647 11.9761 12.6461 12.6679 12.8178 12.8339 13.1408 13.1556 k = 0.8181-0.7718-0.4655 ( 2294 PWs) bands (ev): -39.8239 -39.8239 -19.2174 -19.2173 -17.6081 -17.6078 -17.3377 -17.3376 -7.4641 -7.4575 -7.3475 -7.3410 2.2763 2.2826 2.7557 2.7659 3.5845 3.5910 4.3204 4.3207 4.4036 4.4076 4.9884 4.9889 8.5556 8.5572 11.9492 11.9597 12.6539 12.6743 12.8297 12.8456 13.1365 13.1512 Writing output data file ZrCl2.save init_run : 4.19s CPU 11.21s WALL ( 1 calls) electrons : 427.00s CPU 435.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.56s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 426.98s CPU 435.31s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.93s WALL ( 1 calls) v_h : 0.03s CPU 0.05s WALL ( 1 calls) v_xc : 0.14s CPU 0.65s WALL ( 1 calls) newd : 0.36s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.27s WALL ( 355 calls) cegterg : 300.27s CPU 302.53s WALL ( 374 calls) Called by sum_band: Called by *egterg: h_psi : 229.82s CPU 234.83s WALL ( 7297 calls) s_psi : 10.53s CPU 10.90s WALL ( 7297 calls) g_psi : 0.19s CPU 0.22s WALL ( 6568 calls) cdiaghg : 54.60s CPU 53.80s WALL ( 6923 calls) cegterg:over : 15.43s CPU 13.01s WALL ( 6568 calls) cegterg:upda : 1.27s CPU 2.76s WALL ( 6568 calls) cegterg:last : 1.57s CPU 2.18s WALL ( 1439 calls) Called by h_psi: h_psi:vloc : 211.23s CPU 215.43s WALL ( 7297 calls) h_psi:vnl : 18.52s CPU 19.21s WALL ( 7297 calls) add_vuspsi : 5.01s CPU 7.82s WALL ( 7297 calls) General routines calbec : 13.49s CPU 11.35s WALL ( 7297 calls) fft : 0.37s CPU 1.33s WALL ( 19 calls) ffts : 0.04s CPU 0.04s WALL ( 4 calls) fftw : 197.49s CPU 200.22s WALL ( 640876 calls) interpolate : 0.13s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 3.89s WALL ( 710 calls) Parallel routines fft_scatter : 88.06s CPU 89.12s WALL ( 640899 calls) PWSCF : 7m51.15s CPU 10m40.04s WALL This run was terminated on: 17:36:59 20Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=