Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:20:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScTlSe2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 97 49 14 2648 946 150 Max 98 50 15 2652 963 152 Sum 3513 1767 521 95385 34375 5441 bravais-lattice index = 14 lattice parameter (alat) = 15.2284 a.u. unit-cell volume = 700.3455 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.228445 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.880660 celldm(5)= 0.880660 celldm(6)= 0.880660 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.880660 0.473750 0.000000 ) a(3) = ( 0.880660 0.221843 0.418598 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.858914 -1.118667 ) b(2) = ( 0.000000 2.110820 -1.118667 ) b(3) = ( 0.000000 0.000000 2.388928 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 Tl 13.00 204.38330 Tl( 1.00) Se 6.00 78.96000 Se( 1.00) Sc 11.00 44.95590 Sc( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 305 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0106383 -0.0197757 -0.0119007), wk = 0.0032787 k( 3) = ( 0.0212766 -0.0395514 -0.0238014), wk = 0.0032787 k( 4) = ( 0.0319149 -0.0593270 -0.0357021), wk = 0.0032787 k( 5) = ( 0.0425532 -0.0791027 -0.0476029), wk = 0.0032787 k( 6) = ( 0.0531915 -0.0988784 -0.0595036), wk = 0.0032787 k( 7) = ( 0.0638298 -0.1186541 -0.0714043), wk = 0.0032787 k( 8) = ( 0.0744681 -0.1384298 -0.0833050), wk = 0.0032787 k( 9) = ( 0.0851064 -0.1582054 -0.0952057), wk = 0.0032787 k( 10) = ( 0.0957447 -0.1779811 -0.1071065), wk = 0.0032787 k( 11) = ( 0.1063830 -0.1977568 -0.1190072), wk = 0.0032787 k( 12) = ( 0.1170213 -0.2175325 -0.1309079), wk = 0.0032787 k( 13) = ( 0.1276596 -0.2373082 -0.1428086), wk = 0.0032787 k( 14) = ( 0.1382979 -0.2570838 -0.1547093), wk = 0.0032787 k( 15) = ( 0.1489362 -0.2768595 -0.1666100), wk = 0.0032787 k( 16) = ( 0.1595745 -0.2966352 -0.1785108), wk = 0.0032787 k( 17) = ( 0.1702128 -0.3164109 -0.1904115), wk = 0.0032787 k( 18) = ( 0.1808511 -0.3361866 -0.2023122), wk = 0.0032787 k( 19) = ( 0.1914894 -0.3559622 -0.2142129), wk = 0.0032787 k( 20) = ( 0.2021277 -0.3757379 -0.2261136), wk = 0.0032787 k( 21) = ( 0.2127660 -0.3955136 -0.2380143), wk = 0.0032787 k( 22) = ( 0.2234043 -0.4152893 -0.2499151), wk = 0.0032787 k( 23) = ( 0.2340425 -0.4350650 -0.2618158), wk = 0.0032787 k( 24) = ( 0.2446809 -0.4548406 -0.2737165), wk = 0.0032787 k( 25) = ( 0.2553191 -0.4746163 -0.2856172), wk = 0.0032787 k( 26) = ( 0.2659574 -0.4943920 -0.2975179), wk = 0.0032787 k( 27) = ( 0.2765957 -0.5141677 -0.3094186), wk = 0.0032787 k( 28) = ( 0.2872340 -0.5339434 -0.3213194), wk = 0.0032787 k( 29) = ( 0.2978723 -0.5537190 -0.3332201), wk = 0.0032787 k( 30) = ( 0.3085106 -0.5734947 -0.3451208), wk = 0.0032787 k( 31) = ( 0.3191489 -0.5932704 -0.3570215), wk = 0.0032787 k( 32) = ( 0.3297872 -0.6130461 -0.3689222), wk = 0.0032787 k( 33) = ( 0.3404255 -0.6328218 -0.3808229), wk = 0.0032787 k( 34) = ( 0.3510638 -0.6525974 -0.3927237), wk = 0.0032787 k( 35) = ( 0.3617021 -0.6723731 -0.4046244), wk = 0.0032787 k( 36) = ( 0.3723404 -0.6921488 -0.4165251), wk = 0.0032787 k( 37) = ( 0.3829787 -0.7119245 -0.4284258), wk = 0.0032787 k( 38) = ( 0.3936170 -0.7317002 -0.4403265), wk = 0.0032787 k( 39) = ( 0.4042553 -0.7514758 -0.4522272), wk = 0.0032787 k( 40) = ( 0.4148936 -0.7712515 -0.4641280), wk = 0.0032787 k( 41) = ( 0.4255319 -0.7910272 -0.4760287), wk = 0.0032787 k( 42) = ( 0.4361702 -0.8108029 -0.4879294), wk = 0.0032787 k( 43) = ( 0.4468085 -0.8305786 -0.4998301), wk = 0.0032787 k( 44) = ( 0.4574468 -0.8503543 -0.5117308), wk = 0.0032787 k( 45) = ( 0.4680851 -0.8701299 -0.5236315), wk = 0.0032787 k( 46) = ( 0.4787234 -0.8899056 -0.5355323), wk = 0.0032787 k( 47) = ( 0.4893617 -0.9096813 -0.5474330), wk = 0.0032787 k( 48) = ( 0.5000000 -0.9294570 -0.5593337), wk = 0.0032787 k( 49) = ( 0.5000000 -0.9294570 -0.5593337), wk = 0.0032787 k( 50) = ( 0.5000000 -0.9162772 -0.5812347), wk = 0.0032787 k( 51) = ( 0.5000000 -0.9030975 -0.6031358), wk = 0.0032787 k( 52) = ( 0.5000000 -0.8899178 -0.6250368), wk = 0.0032787 k( 53) = ( 0.5000000 -0.8767380 -0.6469379), wk = 0.0032787 k( 54) = ( 0.5000000 -0.8635583 -0.6688389), wk = 0.0032787 k( 55) = ( 0.5000000 -0.8503786 -0.6907400), wk = 0.0032787 k( 56) = ( 0.5000000 -0.8371989 -0.7126410), wk = 0.0032787 k( 57) = ( 0.5000000 -0.8240191 -0.7345421), wk = 0.0032787 k( 58) = ( 0.5000000 -0.8108394 -0.7564431), wk = 0.0032787 k( 59) = ( 0.5000000 -0.7976596 -0.7783442), wk = 0.0032787 k( 60) = ( 0.5000000 -0.7844799 -0.8002452), wk = 0.0032787 k( 61) = ( 0.5000000 -0.7713002 -0.8221462), wk = 0.0032787 k( 62) = ( 0.5000000 -0.7581204 -0.8440473), wk = 0.0032787 k( 63) = ( 0.5000000 -0.7449407 -0.8659484), wk = 0.0032787 k( 64) = ( 0.5000000 -0.7317610 -0.8878494), wk = 0.0032787 k( 65) = ( 0.5000000 -0.7185813 -0.9097504), wk = 0.0032787 k( 66) = ( 0.5000000 -0.7054015 -0.9316515), wk = 0.0032787 k( 67) = ( 0.5000000 -0.6922218 -0.9535526), wk = 0.0032787 k( 68) = ( 0.5000000 -0.6790421 -0.9754536), wk = 0.0032787 k( 69) = ( 0.5000000 -0.6658623 -0.9973546), wk = 0.0032787 k( 70) = ( 0.5000000 -0.6526826 -1.0192557), wk = 0.0032787 k( 71) = ( 0.5000000 -0.6395029 -1.0411568), wk = 0.0032787 k( 72) = ( 0.5000000 -0.6263231 -1.0630578), wk = 0.0032787 k( 73) = ( 0.5000000 -0.6131434 -1.0849588), wk = 0.0032787 k( 74) = ( 0.5000000 -0.5999637 -1.1068599), wk = 0.0032787 k( 75) = ( 0.5000000 -0.5867839 -1.1287609), wk = 0.0032787 k( 76) = ( 0.5000000 -0.5736042 -1.1506620), wk = 0.0032787 k( 77) = ( 0.5000000 -0.5604245 -1.1725630), wk = 0.0032787 k( 78) = ( 0.5000000 -0.5472447 -1.1944641), wk = 0.0032787 k( 79) = ( 0.8189271 -0.4669051 -1.0428707), wk = 0.0032787 k( 80) = ( 0.8126737 -0.4552804 -1.0209360), wk = 0.0032787 k( 81) = ( 0.8064202 -0.4436557 -0.9990014), wk = 0.0032787 k( 82) = ( 0.8001667 -0.4320311 -0.9770667), wk = 0.0032787 k( 83) = ( 0.7939132 -0.4204064 -0.9551321), wk = 0.0032787 k( 84) = ( 0.7876598 -0.4087817 -0.9331974), wk = 0.0032787 k( 85) = ( 0.7814063 -0.3971570 -0.9112627), wk = 0.0032787 k( 86) = ( 0.7751528 -0.3855324 -0.8893281), wk = 0.0032787 k( 87) = ( 0.7688993 -0.3739077 -0.8673935), wk = 0.0032787 k( 88) = ( 0.7626459 -0.3622830 -0.8454588), wk = 0.0032787 k( 89) = ( 0.7563924 -0.3506584 -0.8235241), wk = 0.0032787 k( 90) = ( 0.7501389 -0.3390337 -0.8015895), wk = 0.0032787 k( 91) = ( 0.7438854 -0.3274090 -0.7796548), wk = 0.0032787 k( 92) = ( 0.7376320 -0.3157844 -0.7577202), wk = 0.0032787 k( 93) = ( 0.7313785 -0.3041597 -0.7357855), wk = 0.0032787 k( 94) = ( 0.7251250 -0.2925350 -0.7138508), wk = 0.0032787 k( 95) = ( 0.7188716 -0.2809104 -0.6919162), wk = 0.0032787 k( 96) = ( 0.7126181 -0.2692857 -0.6699816), wk = 0.0032787 k( 97) = ( 0.7063646 -0.2576610 -0.6480469), wk = 0.0032787 k( 98) = ( 0.7001111 -0.2460364 -0.6261122), wk = 0.0032787 k( 99) = ( 0.6938577 -0.2344117 -0.6041776), wk = 0.0032787 k( 100) = ( 0.6876042 -0.2227870 -0.5822429), wk = 0.0032787 k( 101) = ( 0.6813507 -0.2111624 -0.5603083), wk = 0.0032787 k( 102) = ( 0.6750972 -0.1995377 -0.5383736), wk = 0.0032787 k( 103) = ( 0.6688438 -0.1879130 -0.5164390), wk = 0.0032787 k( 104) = ( 0.6625903 -0.1762883 -0.4945043), wk = 0.0032787 k( 105) = ( 0.6563368 -0.1646637 -0.4725697), wk = 0.0032787 k( 106) = ( 0.6500834 -0.1530390 -0.4506350), wk = 0.0032787 k( 107) = ( 0.6438299 -0.1414143 -0.4287003), wk = 0.0032787 k( 108) = ( 0.6375764 -0.1297897 -0.4067657), wk = 0.0032787 k( 109) = ( 0.6313229 -0.1181650 -0.3848311), wk = 0.0032787 k( 110) = ( 0.6250695 -0.1065403 -0.3628964), wk = 0.0032787 k( 111) = ( 0.6188160 -0.0949157 -0.3409617), wk = 0.0032787 k( 112) = ( 0.6125625 -0.0832910 -0.3190271), wk = 0.0032787 k( 113) = ( 0.6063090 -0.0716663 -0.2970924), wk = 0.0032787 k( 114) = ( 0.6000556 -0.0600417 -0.2751578), wk = 0.0032787 k( 115) = ( 0.5938021 -0.0484170 -0.2532231), wk = 0.0032787 k( 116) = ( 0.5875486 -0.0367923 -0.2312884), wk = 0.0032787 k( 117) = ( 0.5812951 -0.0251677 -0.2093538), wk = 0.0032787 k( 118) = ( 0.5750417 -0.0135430 -0.1874192), wk = 0.0032787 k( 119) = ( 0.5687882 -0.0019183 -0.1654845), wk = 0.0032787 k( 120) = ( 0.5625347 0.0097063 -0.1435498), wk = 0.0032787 k( 121) = ( 0.5562813 0.0213310 -0.1216152), wk = 0.0032787 k( 122) = ( 0.5500278 0.0329557 -0.0996806), wk = 0.0032787 k( 123) = ( 0.5437743 0.0445804 -0.0777459), wk = 0.0032787 k( 124) = ( 0.5375208 0.0562050 -0.0558112), wk = 0.0032787 k( 125) = ( 0.5312674 0.0678297 -0.0338766), wk = 0.0032787 k( 126) = ( 0.5250139 0.0794544 -0.0119419), wk = 0.0032787 k( 127) = ( 0.5187604 0.0910790 0.0099927), wk = 0.0032787 k( 128) = ( 0.5125070 0.1027037 0.0319274), wk = 0.0032787 k( 129) = ( 0.5062535 0.1143284 0.0538621), wk = 0.0032787 k( 130) = ( 0.5000000 0.1259530 0.0757967), wk = 0.0032787 k( 131) = ( 0.5000000 0.1259530 0.0757967), wk = 0.0032787 k( 132) = ( 0.4761905 0.1199553 0.0721873), wk = 0.0032787 k( 133) = ( 0.4523810 0.1139575 0.0685780), wk = 0.0032787 k( 134) = ( 0.4285714 0.1079597 0.0649686), wk = 0.0032787 k( 135) = ( 0.4047619 0.1019620 0.0613592), wk = 0.0032787 k( 136) = ( 0.3809524 0.0959642 0.0577499), wk = 0.0032787 k( 137) = ( 0.3571429 0.0899664 0.0541405), wk = 0.0032787 k( 138) = ( 0.3333333 0.0839687 0.0505311), wk = 0.0032787 k( 139) = ( 0.3095238 0.0779709 0.0469218), wk = 0.0032787 k( 140) = ( 0.2857143 0.0719732 0.0433124), wk = 0.0032787 k( 141) = ( 0.2619048 0.0659754 0.0397030), wk = 0.0032787 k( 142) = ( 0.2380952 0.0599776 0.0360937), wk = 0.0032787 k( 143) = ( 0.2142857 0.0539799 0.0324843), wk = 0.0032787 k( 144) = ( 0.1904762 0.0479821 0.0288749), wk = 0.0032787 k( 145) = ( 0.1666667 0.0419843 0.0252656), wk = 0.0032787 k( 146) = ( 0.1428571 0.0359866 0.0216562), wk = 0.0032787 k( 147) = ( 0.1190476 0.0299888 0.0180468), wk = 0.0032787 k( 148) = ( 0.0952381 0.0239911 0.0144375), wk = 0.0032787 k( 149) = ( 0.0714286 0.0179933 0.0108281), wk = 0.0032787 k( 150) = ( 0.0476191 0.0119955 0.0072187), wk = 0.0032787 k( 151) = ( 0.0238095 0.0059978 0.0036094), wk = 0.0032787 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 154) = ( 0.0061916 -0.0115096 -0.0217175), wk = 0.0032787 k( 155) = ( 0.0123831 -0.0230192 -0.0434350), wk = 0.0032787 k( 156) = ( 0.0185747 -0.0345288 -0.0651526), wk = 0.0032787 k( 157) = ( 0.0247663 -0.0460384 -0.0868701), wk = 0.0032787 k( 158) = ( 0.0309579 -0.0575480 -0.1085877), wk = 0.0032787 k( 159) = ( 0.0371494 -0.0690576 -0.1303052), wk = 0.0032787 k( 160) = ( 0.0433410 -0.0805672 -0.1520227), wk = 0.0032787 k( 161) = ( 0.0495326 -0.0920768 -0.1737402), wk = 0.0032787 k( 162) = ( 0.0557241 -0.1035864 -0.1954577), wk = 0.0032787 k( 163) = ( 0.0619157 -0.1150960 -0.2171753), wk = 0.0032787 k( 164) = ( 0.0681073 -0.1266056 -0.2388928), wk = 0.0032787 k( 165) = ( 0.0742989 -0.1381152 -0.2606103), wk = 0.0032787 k( 166) = ( 0.0804904 -0.1496248 -0.2823279), wk = 0.0032787 k( 167) = ( 0.0866820 -0.1611344 -0.3040454), wk = 0.0032787 k( 168) = ( 0.0928736 -0.1726440 -0.3257629), wk = 0.0032787 k( 169) = ( 0.0990651 -0.1841536 -0.3474804), wk = 0.0032787 k( 170) = ( 0.1052567 -0.1956632 -0.3691980), wk = 0.0032787 k( 171) = ( 0.1114483 -0.2071728 -0.3909155), wk = 0.0032787 k( 172) = ( 0.1176399 -0.2186824 -0.4126330), wk = 0.0032787 k( 173) = ( 0.1238314 -0.2301920 -0.4343506), wk = 0.0032787 k( 174) = ( 0.1300230 -0.2417016 -0.4560681), wk = 0.0032787 k( 175) = ( 0.1362146 -0.2532112 -0.4777856), wk = 0.0032787 k( 176) = ( 0.1424062 -0.2647208 -0.4995032), wk = 0.0032787 k( 177) = ( 0.1485977 -0.2762304 -0.5212207), wk = 0.0032787 k( 178) = ( 0.1547893 -0.2877400 -0.5429382), wk = 0.0032787 k( 179) = ( 0.1609809 -0.2992496 -0.5646557), wk = 0.0032787 k( 180) = ( 0.1671724 -0.3107592 -0.5863733), wk = 0.0032787 k( 181) = ( 0.1733640 -0.3222688 -0.6080908), wk = 0.0032787 k( 182) = ( 0.1795556 -0.3337784 -0.6298083), wk = 0.0032787 k( 183) = ( 0.1857471 -0.3452880 -0.6515259), wk = 0.0032787 k( 184) = ( 0.1919387 -0.3567976 -0.6732434), wk = 0.0032787 k( 185) = ( 0.1981303 -0.3683072 -0.6949609), wk = 0.0032787 k( 186) = ( 0.2043219 -0.3798168 -0.7166784), wk = 0.0032787 k( 187) = ( 0.2105134 -0.3913263 -0.7383960), wk = 0.0032787 k( 188) = ( 0.2167050 -0.4028359 -0.7601135), wk = 0.0032787 k( 189) = ( 0.2228966 -0.4143456 -0.7818310), wk = 0.0032787 k( 190) = ( 0.2290881 -0.4258552 -0.8035486), wk = 0.0032787 k( 191) = ( 0.2352797 -0.4373648 -0.8252661), wk = 0.0032787 k( 192) = ( 0.2414713 -0.4488743 -0.8469836), wk = 0.0032787 k( 193) = ( 0.2476629 -0.4603839 -0.8687011), wk = 0.0032787 k( 194) = ( 0.2538544 -0.4718935 -0.8904187), wk = 0.0032787 k( 195) = ( 0.2600460 -0.4834031 -0.9121362), wk = 0.0032787 k( 196) = ( 0.2662376 -0.4949127 -0.9338537), wk = 0.0032787 k( 197) = ( 0.2724292 -0.5064223 -0.9555713), wk = 0.0032787 k( 198) = ( 0.2786207 -0.5179319 -0.9772888), wk = 0.0032787 k( 199) = ( 0.2848123 -0.5294415 -0.9990063), wk = 0.0032787 k( 200) = ( 0.2910039 -0.5409511 -1.0207238), wk = 0.0032787 k( 201) = ( 0.2971954 -0.5524607 -1.0424414), wk = 0.0032787 k( 202) = ( 0.3033870 -0.5639703 -1.0641589), wk = 0.0032787 k( 203) = ( 0.3095786 -0.5754799 -1.0858764), wk = 0.0032787 k( 204) = ( 0.3157702 -0.5869895 -1.1075940), wk = 0.0032787 k( 205) = ( 0.3219617 -0.5984991 -1.1293115), wk = 0.0032787 k( 206) = ( 0.3281533 -0.6100087 -1.1510290), wk = 0.0032787 k( 207) = ( 0.3343449 -0.6215183 -1.1727465), wk = 0.0032787 k( 208) = ( 0.3405364 -0.6330279 -1.1944641), wk = 0.0032787 k( 209) = ( 0.6594636 -0.5070749 -1.1186674), wk = 0.0032787 k( 210) = ( 0.6533303 -0.4827277 -1.1186674), wk = 0.0032787 k( 211) = ( 0.6471971 -0.4583805 -1.1186674), wk = 0.0032787 k( 212) = ( 0.6410639 -0.4340332 -1.1186674), wk = 0.0032787 k( 213) = ( 0.6349307 -0.4096860 -1.1186674), wk = 0.0032787 k( 214) = ( 0.6287975 -0.3853387 -1.1186674), wk = 0.0032787 k( 215) = ( 0.6226643 -0.3609915 -1.1186674), wk = 0.0032787 k( 216) = ( 0.6165311 -0.3366443 -1.1186674), wk = 0.0032787 k( 217) = ( 0.6103979 -0.3122971 -1.1186674), wk = 0.0032787 k( 218) = ( 0.6042646 -0.2879499 -1.1186674), wk = 0.0032787 k( 219) = ( 0.5981314 -0.2636026 -1.1186674), wk = 0.0032787 k( 220) = ( 0.5919982 -0.2392554 -1.1186674), wk = 0.0032787 k( 221) = ( 0.5858650 -0.2149082 -1.1186674), wk = 0.0032787 k( 222) = ( 0.5797318 -0.1905609 -1.1186674), wk = 0.0032787 k( 223) = ( 0.5735986 -0.1662137 -1.1186674), wk = 0.0032787 k( 224) = ( 0.5674653 -0.1418665 -1.1186674), wk = 0.0032787 k( 225) = ( 0.5613321 -0.1175193 -1.1186674), wk = 0.0032787 k( 226) = ( 0.5551989 -0.0931720 -1.1186674), wk = 0.0032787 k( 227) = ( 0.5490657 -0.0688248 -1.1186674), wk = 0.0032787 k( 228) = ( 0.5429325 -0.0444776 -1.1186674), wk = 0.0032787 k( 229) = ( 0.5367993 -0.0201303 -1.1186674), wk = 0.0032787 k( 230) = ( 0.5306661 0.0042169 -1.1186674), wk = 0.0032787 k( 231) = ( 0.5245329 0.0285641 -1.1186674), wk = 0.0032787 k( 232) = ( 0.5183996 0.0529114 -1.1186674), wk = 0.0032787 k( 233) = ( 0.5122664 0.0772586 -1.1186674), wk = 0.0032787 k( 234) = ( 0.5061332 0.1016058 -1.1186674), wk = 0.0032787 k( 235) = ( 0.5000000 0.1259530 -1.1186674), wk = 0.0032787 k( 236) = ( 0.5000000 0.1259530 -1.1186674), wk = 0.0032787 k( 237) = ( 0.5199329 0.1309743 -1.1091928), wk = 0.0032787 k( 238) = ( 0.5398659 0.1359955 -1.0997182), wk = 0.0032787 k( 239) = ( 0.5597988 0.1410167 -1.0902436), wk = 0.0032787 k( 240) = ( 0.5797318 0.1460379 -1.0807690), wk = 0.0032787 k( 241) = ( 0.5996647 0.1510592 -1.0712945), wk = 0.0032787 k( 242) = ( 0.6195977 0.1560804 -1.0618198), wk = 0.0032787 k( 243) = ( 0.6395306 0.1611016 -1.0523453), wk = 0.0032787 k( 244) = ( 0.6594636 0.1661229 -1.0428707), wk = 0.0032787 k( 245) = ( 0.6594636 0.1661229 -1.0428707), wk = 0.0032787 k( 246) = ( 0.6559199 0.1652302 -1.0180114), wk = 0.0032787 k( 247) = ( 0.6523763 0.1643375 -0.9931521), wk = 0.0032787 k( 248) = ( 0.6488327 0.1634449 -0.9682928), wk = 0.0032787 k( 249) = ( 0.6452890 0.1625522 -0.9434336), wk = 0.0032787 k( 250) = ( 0.6417454 0.1616595 -0.9185743), wk = 0.0032787 k( 251) = ( 0.6382018 0.1607669 -0.8937150), wk = 0.0032787 k( 252) = ( 0.6346581 0.1598742 -0.8688557), wk = 0.0032787 k( 253) = ( 0.6311145 0.1589816 -0.8439965), wk = 0.0032787 k( 254) = ( 0.6275709 0.1580889 -0.8191372), wk = 0.0032787 k( 255) = ( 0.6240272 0.1571962 -0.7942779), wk = 0.0032787 k( 256) = ( 0.6204836 0.1563036 -0.7694187), wk = 0.0032787 k( 257) = ( 0.6169400 0.1554109 -0.7445594), wk = 0.0032787 k( 258) = ( 0.6133963 0.1545182 -0.7197001), wk = 0.0032787 k( 259) = ( 0.6098527 0.1536256 -0.6948408), wk = 0.0032787 k( 260) = ( 0.6063090 0.1527329 -0.6699816), wk = 0.0032787 k( 261) = ( 0.6027654 0.1518403 -0.6451223), wk = 0.0032787 k( 262) = ( 0.5992218 0.1509476 -0.6202630), wk = 0.0032787 k( 263) = ( 0.5956781 0.1500549 -0.5954037), wk = 0.0032787 k( 264) = ( 0.5921345 0.1491623 -0.5705444), wk = 0.0032787 k( 265) = ( 0.5885909 0.1482696 -0.5456852), wk = 0.0032787 k( 266) = ( 0.5850472 0.1473769 -0.5208259), wk = 0.0032787 k( 267) = ( 0.5815036 0.1464843 -0.4959666), wk = 0.0032787 k( 268) = ( 0.5779600 0.1455916 -0.4711074), wk = 0.0032787 k( 269) = ( 0.5744163 0.1446989 -0.4462481), wk = 0.0032787 k( 270) = ( 0.5708727 0.1438063 -0.4213888), wk = 0.0032787 k( 271) = ( 0.5673291 0.1429136 -0.3965295), wk = 0.0032787 k( 272) = ( 0.5637854 0.1420210 -0.3716703), wk = 0.0032787 k( 273) = ( 0.5602418 0.1411283 -0.3468110), wk = 0.0032787 k( 274) = ( 0.5566982 0.1402356 -0.3219517), wk = 0.0032787 k( 275) = ( 0.5531545 0.1393430 -0.2970924), wk = 0.0032787 k( 276) = ( 0.5496109 0.1384503 -0.2722331), wk = 0.0032787 k( 277) = ( 0.5460673 0.1375576 -0.2473739), wk = 0.0032787 k( 278) = ( 0.5425236 0.1366650 -0.2225146), wk = 0.0032787 k( 279) = ( 0.5389800 0.1357723 -0.1976553), wk = 0.0032787 k( 280) = ( 0.5354364 0.1348797 -0.1727961), wk = 0.0032787 k( 281) = ( 0.5318927 0.1339870 -0.1479368), wk = 0.0032787 k( 282) = ( 0.5283491 0.1330943 -0.1230775), wk = 0.0032787 k( 283) = ( 0.5248054 0.1322017 -0.0982182), wk = 0.0032787 k( 284) = ( 0.5212618 0.1313090 -0.0733590), wk = 0.0032787 k( 285) = ( 0.5177182 0.1304163 -0.0484997), wk = 0.0032787 k( 286) = ( 0.5141745 0.1295237 -0.0236404), wk = 0.0032787 k( 287) = ( 0.5106309 0.1286310 0.0012189), wk = 0.0032787 k( 288) = ( 0.5070873 0.1277384 0.0260781), wk = 0.0032787 k( 289) = ( 0.5035436 0.1268457 0.0509374), wk = 0.0032787 k( 290) = ( 0.5000000 0.1259530 0.0757967), wk = 0.0032787 k( 291) = ( 0.5000000 -0.9294570 -0.5593337), wk = 0.0032787 k( 292) = ( 0.5227805 -0.9204603 -0.5539196), wk = 0.0032787 k( 293) = ( 0.5455610 -0.9114637 -0.5485056), wk = 0.0032787 k( 294) = ( 0.5683415 -0.9024670 -0.5430915), wk = 0.0032787 k( 295) = ( 0.5911220 -0.8934704 -0.5376775), wk = 0.0032787 k( 296) = ( 0.6139026 -0.8844737 -0.5322634), wk = 0.0032787 k( 297) = ( 0.6366831 -0.8754771 -0.5268494), wk = 0.0032787 k( 298) = ( 0.6594636 -0.8664805 -0.5214353), wk = 0.0032787 k( 299) = ( 0.6822441 -0.8574838 -0.5160213), wk = 0.0032787 k( 300) = ( 0.7050246 -0.8484872 -0.5106072), wk = 0.0032787 k( 301) = ( 0.7278051 -0.8394905 -0.5051932), wk = 0.0032787 k( 302) = ( 0.7505856 -0.8304939 -0.4997791), wk = 0.0032787 k( 303) = ( 0.7733661 -0.8214972 -0.4943651), wk = 0.0032787 k( 304) = ( 0.7961466 -0.8125006 -0.4889510), wk = 0.0032787 k( 305) = ( 0.8189271 -0.8035040 -0.4835370), wk = 0.0032787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0032787 k( 3) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0032787 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0032787 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0032787 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0032787 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0032787 k( 8) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0032787 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0032787 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0032787 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0032787 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0032787 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0032787 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0032787 k( 15) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0032787 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0032787 k( 17) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0032787 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0032787 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0032787 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0032787 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0032787 k( 22) = ( 0.2234043 -0.0000000 0.0000000), wk = 0.0032787 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0032787 k( 24) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0032787 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0032787 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0032787 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0032787 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0032787 k( 29) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0032787 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0032787 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0032787 k( 32) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0032787 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0032787 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0032787 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0032787 k( 36) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0032787 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0032787 k( 38) = ( 0.3936170 -0.0000000 0.0000000), wk = 0.0032787 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0032787 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0032787 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0032787 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0032787 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0032787 k( 44) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0032787 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0032787 k( 46) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0032787 k( 47) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0032787 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032787 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032787 k( 50) = ( 0.5000000 0.0062439 -0.0062439), wk = 0.0032787 k( 51) = ( 0.5000000 0.0124878 -0.0124878), wk = 0.0032787 k( 52) = ( 0.5000000 0.0187317 -0.0187317), wk = 0.0032787 k( 53) = ( 0.5000000 0.0249756 -0.0249756), wk = 0.0032787 k( 54) = ( 0.5000000 0.0312195 -0.0312195), wk = 0.0032787 k( 55) = ( 0.5000000 0.0374634 -0.0374633), wk = 0.0032787 k( 56) = ( 0.5000000 0.0437072 -0.0437072), wk = 0.0032787 k( 57) = ( 0.5000000 0.0499511 -0.0499511), wk = 0.0032787 k( 58) = ( 0.5000000 0.0561950 -0.0561950), wk = 0.0032787 k( 59) = ( 0.5000000 0.0624389 -0.0624389), wk = 0.0032787 k( 60) = ( 0.5000000 0.0686828 -0.0686828), wk = 0.0032787 k( 61) = ( 0.5000000 0.0749267 -0.0749267), wk = 0.0032787 k( 62) = ( 0.5000000 0.0811706 -0.0811706), wk = 0.0032787 k( 63) = ( 0.5000000 0.0874145 -0.0874145), wk = 0.0032787 k( 64) = ( 0.5000000 0.0936584 -0.0936584), wk = 0.0032787 k( 65) = ( 0.5000000 0.0999023 -0.0999023), wk = 0.0032787 k( 66) = ( 0.5000000 0.1061462 -0.1061462), wk = 0.0032787 k( 67) = ( 0.5000000 0.1123901 -0.1123901), wk = 0.0032787 k( 68) = ( 0.5000000 0.1186339 -0.1186339), wk = 0.0032787 k( 69) = ( 0.5000000 0.1248778 -0.1248778), wk = 0.0032787 k( 70) = ( 0.5000000 0.1311217 -0.1311217), wk = 0.0032787 k( 71) = ( 0.5000000 0.1373656 -0.1373656), wk = 0.0032787 k( 72) = ( 0.5000000 0.1436095 -0.1436095), wk = 0.0032787 k( 73) = ( 0.5000000 0.1498534 -0.1498534), wk = 0.0032787 k( 74) = ( 0.5000000 0.1560973 -0.1560973), wk = 0.0032787 k( 75) = ( 0.5000000 0.1623412 -0.1623412), wk = 0.0032787 k( 76) = ( 0.5000000 0.1685851 -0.1685851), wk = 0.0032787 k( 77) = ( 0.5000000 0.1748290 -0.1748290), wk = 0.0032787 k( 78) = ( 0.5000000 0.1810729 -0.1810729), wk = 0.0032787 k( 79) = ( 0.8189271 0.5000000 0.1810729), wk = 0.0032787 k( 80) = ( 0.8126737 0.5000000 0.1873263), wk = 0.0032787 k( 81) = ( 0.8064202 0.5000000 0.1935798), wk = 0.0032787 k( 82) = ( 0.8001667 0.5000000 0.1998333), wk = 0.0032787 k( 83) = ( 0.7939132 0.5000000 0.2060868), wk = 0.0032787 k( 84) = ( 0.7876598 0.5000000 0.2123402), wk = 0.0032787 k( 85) = ( 0.7814063 0.5000000 0.2185937), wk = 0.0032787 k( 86) = ( 0.7751528 0.5000000 0.2248472), wk = 0.0032787 k( 87) = ( 0.7688993 0.5000000 0.2311007), wk = 0.0032787 k( 88) = ( 0.7626459 0.5000000 0.2373541), wk = 0.0032787 k( 89) = ( 0.7563924 0.5000000 0.2436076), wk = 0.0032787 k( 90) = ( 0.7501389 0.5000000 0.2498611), wk = 0.0032787 k( 91) = ( 0.7438854 0.5000000 0.2561146), wk = 0.0032787 k( 92) = ( 0.7376320 0.5000000 0.2623680), wk = 0.0032787 k( 93) = ( 0.7313785 0.5000000 0.2686215), wk = 0.0032787 k( 94) = ( 0.7251250 0.5000000 0.2748750), wk = 0.0032787 k( 95) = ( 0.7188716 0.5000000 0.2811284), wk = 0.0032787 k( 96) = ( 0.7126181 0.5000000 0.2873819), wk = 0.0032787 k( 97) = ( 0.7063646 0.5000000 0.2936354), wk = 0.0032787 k( 98) = ( 0.7001111 0.5000000 0.2998889), wk = 0.0032787 k( 99) = ( 0.6938577 0.5000000 0.3061423), wk = 0.0032787 k( 100) = ( 0.6876042 0.5000000 0.3123958), wk = 0.0032787 k( 101) = ( 0.6813507 0.5000000 0.3186493), wk = 0.0032787 k( 102) = ( 0.6750972 0.5000000 0.3249028), wk = 0.0032787 k( 103) = ( 0.6688438 0.5000000 0.3311562), wk = 0.0032787 k( 104) = ( 0.6625903 0.5000000 0.3374097), wk = 0.0032787 k( 105) = ( 0.6563368 0.5000000 0.3436632), wk = 0.0032787 k( 106) = ( 0.6500834 0.5000000 0.3499166), wk = 0.0032787 k( 107) = ( 0.6438299 0.5000000 0.3561701), wk = 0.0032787 k( 108) = ( 0.6375764 0.5000000 0.3624236), wk = 0.0032787 k( 109) = ( 0.6313229 0.5000000 0.3686771), wk = 0.0032787 k( 110) = ( 0.6250695 0.5000000 0.3749305), wk = 0.0032787 k( 111) = ( 0.6188160 0.5000000 0.3811840), wk = 0.0032787 k( 112) = ( 0.6125625 0.5000000 0.3874375), wk = 0.0032787 k( 113) = ( 0.6063090 0.5000000 0.3936910), wk = 0.0032787 k( 114) = ( 0.6000556 0.5000000 0.3999444), wk = 0.0032787 k( 115) = ( 0.5938021 0.5000000 0.4061979), wk = 0.0032787 k( 116) = ( 0.5875486 0.5000000 0.4124514), wk = 0.0032787 k( 117) = ( 0.5812951 0.5000000 0.4187049), wk = 0.0032787 k( 118) = ( 0.5750417 0.5000000 0.4249583), wk = 0.0032787 k( 119) = ( 0.5687882 0.5000000 0.4312118), wk = 0.0032787 k( 120) = ( 0.5625347 0.5000000 0.4374653), wk = 0.0032787 k( 121) = ( 0.5562813 0.5000000 0.4437187), wk = 0.0032787 k( 122) = ( 0.5500278 0.5000000 0.4499722), wk = 0.0032787 k( 123) = ( 0.5437743 0.5000000 0.4562257), wk = 0.0032787 k( 124) = ( 0.5375208 0.5000000 0.4624792), wk = 0.0032787 k( 125) = ( 0.5312674 0.5000000 0.4687326), wk = 0.0032787 k( 126) = ( 0.5250139 0.5000000 0.4749861), wk = 0.0032787 k( 127) = ( 0.5187604 0.5000000 0.4812396), wk = 0.0032787 k( 128) = ( 0.5125070 0.5000000 0.4874931), wk = 0.0032787 k( 129) = ( 0.5062535 0.5000000 0.4937465), wk = 0.0032787 k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 132) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0032787 k( 133) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0032787 k( 134) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032787 k( 135) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0032787 k( 136) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0032787 k( 137) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032787 k( 138) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032787 k( 139) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0032787 k( 140) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032787 k( 141) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0032787 k( 142) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0032787 k( 143) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032787 k( 144) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0032787 k( 145) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032787 k( 146) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032787 k( 147) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0032787 k( 148) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0032787 k( 149) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032787 k( 150) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0032787 k( 151) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0032787 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 154) = ( 0.0061916 0.0000000 -0.0061916), wk = 0.0032787 k( 155) = ( 0.0123831 0.0000000 -0.0123831), wk = 0.0032787 k( 156) = ( 0.0185747 0.0000000 -0.0185747), wk = 0.0032787 k( 157) = ( 0.0247663 0.0000000 -0.0247663), wk = 0.0032787 k( 158) = ( 0.0309579 0.0000000 -0.0309579), wk = 0.0032787 k( 159) = ( 0.0371494 0.0000000 -0.0371494), wk = 0.0032787 k( 160) = ( 0.0433410 0.0000000 -0.0433410), wk = 0.0032787 k( 161) = ( 0.0495326 0.0000000 -0.0495326), wk = 0.0032787 k( 162) = ( 0.0557241 0.0000000 -0.0557241), wk = 0.0032787 k( 163) = ( 0.0619157 0.0000000 -0.0619157), wk = 0.0032787 k( 164) = ( 0.0681073 0.0000000 -0.0681073), wk = 0.0032787 k( 165) = ( 0.0742989 0.0000000 -0.0742989), wk = 0.0032787 k( 166) = ( 0.0804904 0.0000000 -0.0804904), wk = 0.0032787 k( 167) = ( 0.0866820 0.0000000 -0.0866820), wk = 0.0032787 k( 168) = ( 0.0928736 0.0000000 -0.0928736), wk = 0.0032787 k( 169) = ( 0.0990651 0.0000000 -0.0990651), wk = 0.0032787 k( 170) = ( 0.1052567 -0.0000000 -0.1052567), wk = 0.0032787 k( 171) = ( 0.1114483 0.0000000 -0.1114483), wk = 0.0032787 k( 172) = ( 0.1176399 0.0000000 -0.1176399), wk = 0.0032787 k( 173) = ( 0.1238314 0.0000000 -0.1238314), wk = 0.0032787 k( 174) = ( 0.1300230 0.0000000 -0.1300230), wk = 0.0032787 k( 175) = ( 0.1362146 0.0000000 -0.1362146), wk = 0.0032787 k( 176) = ( 0.1424062 0.0000000 -0.1424061), wk = 0.0032787 k( 177) = ( 0.1485977 0.0000000 -0.1485977), wk = 0.0032787 k( 178) = ( 0.1547893 0.0000000 -0.1547893), wk = 0.0032787 k( 179) = ( 0.1609809 0.0000000 -0.1609809), wk = 0.0032787 k( 180) = ( 0.1671724 0.0000000 -0.1671724), wk = 0.0032787 k( 181) = ( 0.1733640 0.0000000 -0.1733640), wk = 0.0032787 k( 182) = ( 0.1795556 0.0000000 -0.1795556), wk = 0.0032787 k( 183) = ( 0.1857471 0.0000000 -0.1857471), wk = 0.0032787 k( 184) = ( 0.1919387 0.0000000 -0.1919387), wk = 0.0032787 k( 185) = ( 0.1981303 0.0000000 -0.1981303), wk = 0.0032787 k( 186) = ( 0.2043219 0.0000000 -0.2043219), wk = 0.0032787 k( 187) = ( 0.2105134 -0.0000000 -0.2105134), wk = 0.0032787 k( 188) = ( 0.2167050 0.0000000 -0.2167050), wk = 0.0032787 k( 189) = ( 0.2228966 0.0000000 -0.2228966), wk = 0.0032787 k( 190) = ( 0.2290881 0.0000000 -0.2290881), wk = 0.0032787 k( 191) = ( 0.2352797 0.0000000 -0.2352797), wk = 0.0032787 k( 192) = ( 0.2414713 0.0000000 -0.2414713), wk = 0.0032787 k( 193) = ( 0.2476629 0.0000000 -0.2476629), wk = 0.0032787 k( 194) = ( 0.2538544 0.0000000 -0.2538544), wk = 0.0032787 k( 195) = ( 0.2600460 0.0000000 -0.2600460), wk = 0.0032787 k( 196) = ( 0.2662376 0.0000000 -0.2662376), wk = 0.0032787 k( 197) = ( 0.2724292 0.0000000 -0.2724291), wk = 0.0032787 k( 198) = ( 0.2786207 0.0000000 -0.2786207), wk = 0.0032787 k( 199) = ( 0.2848123 0.0000000 -0.2848123), wk = 0.0032787 k( 200) = ( 0.2910039 0.0000000 -0.2910039), wk = 0.0032787 k( 201) = ( 0.2971954 -0.0000000 -0.2971954), wk = 0.0032787 k( 202) = ( 0.3033870 0.0000000 -0.3033870), wk = 0.0032787 k( 203) = ( 0.3095786 0.0000000 -0.3095786), wk = 0.0032787 k( 204) = ( 0.3157702 0.0000000 -0.3157701), wk = 0.0032787 k( 205) = ( 0.3219617 0.0000000 -0.3219617), wk = 0.0032787 k( 206) = ( 0.3281533 -0.0000000 -0.3281533), wk = 0.0032787 k( 207) = ( 0.3343449 0.0000000 -0.3343449), wk = 0.0032787 k( 208) = ( 0.3405364 0.0000000 -0.3405364), wk = 0.0032787 k( 209) = ( 0.6594636 0.3405364 0.0000000), wk = 0.0032787 k( 210) = ( 0.6533303 0.3466697 0.0000000), wk = 0.0032787 k( 211) = ( 0.6471971 0.3528029 0.0000000), wk = 0.0032787 k( 212) = ( 0.6410639 0.3589361 0.0000000), wk = 0.0032787 k( 213) = ( 0.6349307 0.3650693 0.0000000), wk = 0.0032787 k( 214) = ( 0.6287975 0.3712025 0.0000000), wk = 0.0032787 k( 215) = ( 0.6226643 0.3773357 0.0000000), wk = 0.0032787 k( 216) = ( 0.6165311 0.3834689 0.0000000), wk = 0.0032787 k( 217) = ( 0.6103979 0.3896022 0.0000000), wk = 0.0032787 k( 218) = ( 0.6042646 0.3957354 0.0000000), wk = 0.0032787 k( 219) = ( 0.5981314 0.4018686 0.0000000), wk = 0.0032787 k( 220) = ( 0.5919982 0.4080018 0.0000000), wk = 0.0032787 k( 221) = ( 0.5858650 0.4141350 0.0000000), wk = 0.0032787 k( 222) = ( 0.5797318 0.4202682 0.0000000), wk = 0.0032787 k( 223) = ( 0.5735986 0.4264014 0.0000000), wk = 0.0032787 k( 224) = ( 0.5674653 0.4325347 0.0000000), wk = 0.0032787 k( 225) = ( 0.5613321 0.4386679 0.0000000), wk = 0.0032787 k( 226) = ( 0.5551989 0.4448011 0.0000000), wk = 0.0032787 k( 227) = ( 0.5490657 0.4509343 0.0000000), wk = 0.0032787 k( 228) = ( 0.5429325 0.4570675 0.0000000), wk = 0.0032787 k( 229) = ( 0.5367993 0.4632007 0.0000000), wk = 0.0032787 k( 230) = ( 0.5306661 0.4693339 0.0000000), wk = 0.0032787 k( 231) = ( 0.5245329 0.4754671 0.0000000), wk = 0.0032787 k( 232) = ( 0.5183996 0.4816004 0.0000000), wk = 0.0032787 k( 233) = ( 0.5122664 0.4877336 0.0000000), wk = 0.0032787 k( 234) = ( 0.5061332 0.4938668 0.0000000), wk = 0.0032787 k( 235) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032787 k( 236) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032787 k( 237) = ( 0.5199329 0.5199330 0.0226341), wk = 0.0032787 k( 238) = ( 0.5398659 0.5398659 0.0452682), wk = 0.0032787 k( 239) = ( 0.5597988 0.5597988 0.0679023), wk = 0.0032787 k( 240) = ( 0.5797318 0.5797318 0.0905364), wk = 0.0032787 k( 241) = ( 0.5996647 0.5996647 0.1131705), wk = 0.0032787 k( 242) = ( 0.6195977 0.6195977 0.1358047), wk = 0.0032787 k( 243) = ( 0.6395306 0.6395306 0.1584388), wk = 0.0032787 k( 244) = ( 0.6594636 0.6594636 0.1810729), wk = 0.0032787 k( 245) = ( 0.6594636 0.6594636 0.1810729), wk = 0.0032787 k( 246) = ( 0.6559199 0.6559199 0.1881601), wk = 0.0032787 k( 247) = ( 0.6523763 0.6523763 0.1952474), wk = 0.0032787 k( 248) = ( 0.6488327 0.6488327 0.2023347), wk = 0.0032787 k( 249) = ( 0.6452890 0.6452890 0.2094220), wk = 0.0032787 k( 250) = ( 0.6417454 0.6417454 0.2165092), wk = 0.0032787 k( 251) = ( 0.6382018 0.6382018 0.2235965), wk = 0.0032787 k( 252) = ( 0.6346581 0.6346581 0.2306838), wk = 0.0032787 k( 253) = ( 0.6311145 0.6311145 0.2377710), wk = 0.0032787 k( 254) = ( 0.6275709 0.6275709 0.2448583), wk = 0.0032787 k( 255) = ( 0.6240272 0.6240272 0.2519456), wk = 0.0032787 k( 256) = ( 0.6204836 0.6204836 0.2590328), wk = 0.0032787 k( 257) = ( 0.6169400 0.6169400 0.2661201), wk = 0.0032787 k( 258) = ( 0.6133963 0.6133963 0.2732074), wk = 0.0032787 k( 259) = ( 0.6098527 0.6098527 0.2802946), wk = 0.0032787 k( 260) = ( 0.6063090 0.6063090 0.2873819), wk = 0.0032787 k( 261) = ( 0.6027654 0.6027654 0.2944692), wk = 0.0032787 k( 262) = ( 0.5992218 0.5992218 0.3015565), wk = 0.0032787 k( 263) = ( 0.5956781 0.5956781 0.3086437), wk = 0.0032787 k( 264) = ( 0.5921345 0.5921345 0.3157310), wk = 0.0032787 k( 265) = ( 0.5885909 0.5885909 0.3228183), wk = 0.0032787 k( 266) = ( 0.5850472 0.5850472 0.3299055), wk = 0.0032787 k( 267) = ( 0.5815036 0.5815036 0.3369928), wk = 0.0032787 k( 268) = ( 0.5779600 0.5779600 0.3440801), wk = 0.0032787 k( 269) = ( 0.5744163 0.5744163 0.3511673), wk = 0.0032787 k( 270) = ( 0.5708727 0.5708727 0.3582546), wk = 0.0032787 k( 271) = ( 0.5673291 0.5673291 0.3653419), wk = 0.0032787 k( 272) = ( 0.5637854 0.5637854 0.3724292), wk = 0.0032787 k( 273) = ( 0.5602418 0.5602418 0.3795164), wk = 0.0032787 k( 274) = ( 0.5566982 0.5566982 0.3866037), wk = 0.0032787 k( 275) = ( 0.5531545 0.5531545 0.3936910), wk = 0.0032787 k( 276) = ( 0.5496109 0.5496109 0.4007782), wk = 0.0032787 k( 277) = ( 0.5460673 0.5460673 0.4078655), wk = 0.0032787 k( 278) = ( 0.5425236 0.5425236 0.4149528), wk = 0.0032787 k( 279) = ( 0.5389800 0.5389800 0.4220400), wk = 0.0032787 k( 280) = ( 0.5354364 0.5354364 0.4291273), wk = 0.0032787 k( 281) = ( 0.5318927 0.5318927 0.4362146), wk = 0.0032787 k( 282) = ( 0.5283491 0.5283491 0.4433018), wk = 0.0032787 k( 283) = ( 0.5248054 0.5248054 0.4503891), wk = 0.0032787 k( 284) = ( 0.5212618 0.5212618 0.4574764), wk = 0.0032787 k( 285) = ( 0.5177182 0.5177182 0.4645637), wk = 0.0032787 k( 286) = ( 0.5141745 0.5141745 0.4716509), wk = 0.0032787 k( 287) = ( 0.5106309 0.5106309 0.4787382), wk = 0.0032787 k( 288) = ( 0.5070873 0.5070873 0.4858255), wk = 0.0032787 k( 289) = ( 0.5035436 0.5035436 0.4929127), wk = 0.0032787 k( 290) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 291) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032787 k( 292) = ( 0.5227805 0.0243240 0.0243240), wk = 0.0032787 k( 293) = ( 0.5455610 0.0486481 0.0486481), wk = 0.0032787 k( 294) = ( 0.5683415 0.0729721 0.0729721), wk = 0.0032787 k( 295) = ( 0.5911220 0.0972961 0.0972961), wk = 0.0032787 k( 296) = ( 0.6139026 0.1216202 0.1216202), wk = 0.0032787 k( 297) = ( 0.6366831 0.1459442 0.1459442), wk = 0.0032787 k( 298) = ( 0.6594636 0.1702682 0.1702682), wk = 0.0032787 k( 299) = ( 0.6822441 0.1945923 0.1945923), wk = 0.0032787 k( 300) = ( 0.7050246 0.2189163 0.2189163), wk = 0.0032787 k( 301) = ( 0.7278051 0.2432403 0.2432403), wk = 0.0032787 k( 302) = ( 0.7505856 0.2675643 0.2675643), wk = 0.0032787 k( 303) = ( 0.7733661 0.2918884 0.2918884), wk = 0.0032787 k( 304) = ( 0.7961466 0.3162124 0.3162124), wk = 0.0032787 k( 305) = ( 0.8189271 0.3405364 0.3405364), wk = 0.0032787 Dense grid: 95385 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 34375 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 250, 44) NL pseudopotentials 0.18 Mb ( 125, 96) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.02 Mb ( 2649) G-vector shells 0.02 Mb ( 2188) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 250, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ScTlSe2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.8 secs Computing kpt #: 9 total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 12.6 secs Computing kpt #: 12 total cpu time spent up to now is 13.2 secs Computing kpt #: 13 total cpu time spent up to now is 13.8 secs Computing kpt #: 14 total cpu time spent up to now is 14.4 secs Computing kpt #: 15 total cpu time spent up to now is 15.0 secs Computing kpt #: 16 total cpu time spent up to now is 15.6 secs Computing kpt #: 17 total cpu time spent up to now is 16.3 secs Computing kpt #: 18 total cpu time spent up to now is 16.9 secs Computing kpt #: 19 total cpu time spent up to now is 17.5 secs Computing kpt #: 20 total cpu time spent up to now is 18.1 secs Computing kpt #: 21 total cpu time spent up to now is 18.7 secs Computing kpt #: 22 total cpu time spent up to now is 19.4 secs Computing kpt #: 23 total cpu time spent up to now is 20.0 secs Computing kpt #: 24 total cpu time spent up to now is 20.7 secs Computing kpt #: 25 total cpu time spent up to now is 21.4 secs Computing kpt #: 26 total cpu time spent up to now is 22.0 secs Computing kpt #: 27 total cpu time spent up to now is 22.7 secs Computing kpt #: 28 total cpu time spent up to now is 23.3 secs Computing kpt #: 29 total cpu time spent up to now is 24.0 secs Computing kpt #: 30 total cpu time spent up to now is 24.6 secs Computing kpt #: 31 total cpu time spent up to now is 25.3 secs Computing kpt #: 32 total cpu time spent up to now is 25.9 secs Computing kpt #: 33 total cpu time spent up to now is 26.5 secs Computing kpt #: 34 total cpu time spent up to now is 27.2 secs Computing kpt #: 35 total cpu time spent up to now is 27.8 secs Computing kpt #: 36 total cpu time spent up to now is 28.5 secs Computing kpt #: 37 total cpu time spent up to now is 29.1 secs Computing kpt #: 38 total cpu time spent up to now is 29.8 secs Computing kpt #: 39 total cpu time spent up to now is 30.4 secs Computing kpt #: 40 total cpu time spent up to now is 31.0 secs Computing kpt #: 41 total cpu time spent up to now is 31.7 secs Computing kpt #: 42 total cpu time spent up to now is 32.3 secs Computing kpt #: 43 total cpu time spent up to now is 33.0 secs Computing kpt #: 44 total cpu time spent up to now is 33.6 secs Computing kpt #: 45 total cpu time spent up to now is 34.2 secs Computing kpt #: 46 total cpu time spent up to now is 34.9 secs Computing kpt #: 47 total cpu time spent up to now is 35.5 secs Computing kpt #: 48 total cpu time spent up to now is 36.1 secs Computing kpt #: 49 total cpu time spent up to now is 37.1 secs Computing kpt #: 50 total cpu time spent up to now is 37.7 secs Computing kpt #: 51 total cpu time spent up to now is 38.4 secs Computing kpt #: 52 total cpu time spent up to now is 39.0 secs Computing kpt #: 53 total cpu time spent up to now is 39.6 secs Computing kpt #: 54 total cpu time spent up to now is 40.3 secs Computing kpt #: 55 total cpu time spent up to now is 40.9 secs Computing kpt #: 56 total cpu time spent up to now is 41.6 secs Computing kpt #: 57 total cpu time spent up to now is 42.2 secs Computing kpt #: 58 total cpu time spent up to now is 42.9 secs Computing kpt #: 59 total cpu time spent up to now is 43.5 secs Computing kpt #: 60 total cpu time spent up to now is 44.1 secs Computing kpt #: 61 total cpu time spent up to now is 44.8 secs Computing kpt #: 62 total cpu time spent up to now is 45.4 secs Computing kpt #: 63 total cpu time spent up to now is 46.0 secs Computing kpt #: 64 total cpu time spent up to now is 46.6 secs Computing kpt #: 65 total cpu time spent up to now is 47.3 secs Computing kpt #: 66 total cpu time spent up to now is 47.9 secs Computing kpt #: 67 total cpu time spent up to now is 48.5 secs Computing kpt #: 68 total cpu time spent up to now is 49.2 secs Computing kpt #: 69 total cpu time spent up to now is 49.8 secs Computing kpt #: 70 total cpu time spent up to now is 50.5 secs Computing kpt #: 71 total cpu time spent up to now is 51.1 secs Computing kpt #: 72 total cpu time spent up to now is 51.8 secs Computing kpt #: 73 total cpu time spent up to now is 52.5 secs Computing kpt #: 74 total cpu time spent up to now is 53.1 secs Computing kpt #: 75 total cpu time spent up to now is 53.8 secs Computing kpt #: 76 total cpu time spent up to now is 54.5 secs Computing kpt #: 77 total cpu time spent up to now is 55.2 secs Computing kpt #: 78 total cpu time spent up to now is 55.8 secs Computing kpt #: 79 total cpu time spent up to now is 56.5 secs Computing kpt #: 80 total cpu time spent up to now is 57.2 secs Computing kpt #: 81 total cpu time spent up to now is 57.8 secs Computing kpt #: 82 total cpu time spent up to now is 58.5 secs Computing kpt #: 83 total cpu time spent up to now is 59.2 secs Computing kpt #: 84 total cpu time spent up to now is 59.9 secs Computing kpt #: 85 total cpu time spent up to now is 60.5 secs Computing kpt #: 86 total cpu time spent up to now is 61.2 secs Computing kpt #: 87 total cpu time spent up to now is 61.9 secs Computing kpt #: 88 total cpu time spent up to now is 62.6 secs Computing kpt #: 89 total cpu time spent up to now is 63.3 secs Computing kpt #: 90 total cpu time spent up to now is 63.9 secs Computing kpt #: 91 total cpu time spent up to now is 64.6 secs Computing kpt #: 92 total cpu time spent up to now is 65.3 secs Computing kpt #: 93 total cpu time spent up to now is 66.0 secs Computing kpt #: 94 total cpu time spent up to now is 66.6 secs Computing kpt #: 95 total cpu time spent up to now is 67.3 secs Computing kpt #: 96 total cpu time spent up to now is 68.0 secs Computing kpt #: 97 total cpu time spent up to now is 68.7 secs Computing kpt #: 98 total cpu time spent up to now is 69.4 secs Computing kpt #: 99 total cpu time spent up to now is 70.1 secs Computing kpt #: 100 total cpu time spent up to now is 70.8 secs Computing kpt #: 101 total cpu time spent up to now is 72.1 secs Computing kpt #: 102 total cpu time spent up to now is 72.7 secs Computing kpt #: 103 total cpu time spent up to now is 73.4 secs Computing kpt #: 104 total cpu time spent up to now is 74.0 secs Computing kpt #: 105 total cpu time spent up to now is 74.7 secs Computing kpt #: 106 total cpu time spent up to now is 75.3 secs Computing kpt #: 107 total cpu time spent up to now is 75.9 secs Computing kpt #: 108 total cpu time spent up to now is 76.6 secs Computing kpt #: 109 total cpu time spent up to now is 77.2 secs Computing kpt #: 110 total cpu time spent up to now is 77.8 secs Computing kpt #: 111 total cpu time spent up to now is 78.4 secs Computing kpt #: 112 total cpu time spent up to now is 79.1 secs Computing kpt #: 113 total cpu time spent up to now is 79.7 secs Computing kpt #: 114 total cpu time spent up to now is 80.3 secs Computing kpt #: 115 total cpu time spent up to now is 80.9 secs Computing kpt #: 116 total cpu time spent up to now is 81.5 secs Computing kpt #: 117 total cpu time spent up to now is 82.2 secs Computing kpt #: 118 total cpu time spent up to now is 82.8 secs Computing kpt #: 119 total cpu time spent up to now is 83.4 secs Computing kpt #: 120 total cpu time spent up to now is 84.1 secs Computing kpt #: 121 total cpu time spent up to now is 84.7 secs Computing kpt #: 122 total cpu time spent up to now is 85.3 secs Computing kpt #: 123 total cpu time spent up to now is 86.0 secs Computing kpt #: 124 total cpu time spent up to now is 86.6 secs Computing kpt #: 125 total cpu time spent up to now is 87.2 secs Computing kpt #: 126 total cpu time spent up to now is 87.9 secs Computing kpt #: 127 total cpu time spent up to now is 88.5 secs Computing kpt #: 128 total cpu time spent up to now is 89.1 secs Computing kpt #: 129 total cpu time spent up to now is 89.7 secs Computing kpt #: 130 total cpu time spent up to now is 90.3 secs Computing kpt #: 131 total cpu time spent up to now is 90.9 secs Computing kpt #: 132 total cpu time spent up to now is 91.5 secs Computing kpt #: 133 total cpu time spent up to now is 92.1 secs Computing kpt #: 134 total cpu time spent up to now is 92.7 secs Computing kpt #: 135 total cpu time spent up to now is 93.3 secs Computing kpt #: 136 total cpu time spent up to now is 93.9 secs Computing kpt #: 137 total cpu time spent up to now is 94.5 secs Computing kpt #: 138 total cpu time spent up to now is 95.2 secs Computing kpt #: 139 total cpu time spent up to now is 95.8 secs Computing kpt #: 140 total cpu time spent up to now is 96.4 secs Computing kpt #: 141 total cpu time spent up to now is 97.0 secs Computing kpt #: 142 total cpu time spent up to now is 97.7 secs Computing kpt #: 143 total cpu time spent up to now is 98.3 secs Computing kpt #: 144 total cpu time spent up to now is 98.9 secs Computing kpt #: 145 total cpu time spent up to now is 99.6 secs Computing kpt #: 146 total cpu time spent up to now is 100.3 secs Computing kpt #: 147 total cpu time spent up to now is 101.0 secs Computing kpt #: 148 total cpu time spent up to now is 101.7 secs Computing kpt #: 149 total cpu time spent up to now is 102.5 secs Computing kpt #: 150 total cpu time spent up to now is 103.2 secs Computing kpt #: 151 total cpu time spent up to now is 104.0 secs Computing kpt #: 152 total cpu time spent up to now is 104.7 secs Computing kpt #: 153 total cpu time spent up to now is 105.4 secs Computing kpt #: 154 total cpu time spent up to now is 106.2 secs Computing kpt #: 155 total cpu time spent up to now is 106.9 secs Computing kpt #: 156 total cpu time spent up to now is 107.5 secs Computing kpt #: 157 total cpu time spent up to now is 108.1 secs Computing kpt #: 158 total cpu time spent up to now is 108.8 secs Computing kpt #: 159 total cpu time spent up to now is 109.4 secs Computing kpt #: 160 total cpu time spent up to now is 110.0 secs Computing kpt #: 161 total cpu time spent up to now is 110.6 secs Computing kpt #: 162 total cpu time spent up to now is 111.2 secs Computing kpt #: 163 total cpu time spent up to now is 111.8 secs Computing kpt #: 164 total cpu time spent up to now is 112.4 secs Computing kpt #: 165 total cpu time spent up to now is 112.9 secs Computing kpt #: 166 total cpu time spent up to now is 113.6 secs Computing kpt #: 167 total cpu time spent up to now is 114.2 secs Computing kpt #: 168 total cpu time spent up to now is 114.8 secs Computing kpt #: 169 total cpu time spent up to now is 115.4 secs Computing kpt #: 170 total cpu time spent up to now is 116.0 secs Computing kpt #: 171 total cpu time spent up to now is 117.1 secs Computing kpt #: 172 total cpu time spent up to now is 117.8 secs Computing kpt #: 173 total cpu time spent up to now is 118.4 secs Computing kpt #: 174 total cpu time spent up to now is 119.0 secs Computing kpt #: 175 total cpu time spent up to now is 119.7 secs Computing kpt #: 176 total cpu time spent up to now is 120.3 secs Computing kpt #: 177 total cpu time spent up to now is 121.0 secs Computing kpt #: 178 total cpu time spent up to now is 121.7 secs Computing kpt #: 179 total cpu time spent up to now is 122.3 secs Computing kpt #: 180 total cpu time spent up to now is 123.0 secs Computing kpt #: 181 total cpu time spent up to now is 123.6 secs Computing kpt #: 182 total cpu time spent up to now is 124.3 secs Computing kpt #: 183 total cpu time spent up to now is 125.0 secs Computing kpt #: 184 total cpu time spent up to now is 125.6 secs Computing kpt #: 185 total cpu time spent up to now is 126.2 secs Computing kpt #: 186 total cpu time spent up to now is 126.9 secs Computing kpt #: 187 total cpu time spent up to now is 127.5 secs Computing kpt #: 188 total cpu time spent up to now is 128.2 secs Computing kpt #: 189 total cpu time spent up to now is 128.8 secs Computing kpt #: 190 total cpu time spent up to now is 129.4 secs Computing kpt #: 191 total cpu time spent up to now is 130.1 secs Computing kpt #: 192 total cpu time spent up to now is 130.7 secs Computing kpt #: 193 total cpu time spent up to now is 131.3 secs Computing kpt #: 194 total cpu time spent up to now is 132.0 secs Computing kpt #: 195 total cpu time spent up to now is 132.6 secs Computing kpt #: 196 total cpu time spent up to now is 133.2 secs Computing kpt #: 197 total cpu time spent up to now is 133.9 secs Computing kpt #: 198 total cpu time spent up to now is 134.5 secs Computing kpt #: 199 total cpu time spent up to now is 135.2 secs Computing kpt #: 200 total cpu time spent up to now is 135.9 secs Computing kpt #: 201 total cpu time spent up to now is 136.5 secs Computing kpt #: 202 total cpu time spent up to now is 137.2 secs Computing kpt #: 203 total cpu time spent up to now is 137.9 secs Computing kpt #: 204 total cpu time spent up to now is 138.5 secs Computing kpt #: 205 total cpu time spent up to now is 139.2 secs Computing kpt #: 206 total cpu time spent up to now is 139.9 secs Computing kpt #: 207 total cpu time spent up to now is 140.6 secs Computing kpt #: 208 total cpu time spent up to now is 141.2 secs Computing kpt #: 209 total cpu time spent up to now is 141.9 secs Computing kpt #: 210 total cpu time spent up to now is 142.6 secs Computing kpt #: 211 total cpu time spent up to now is 143.3 secs Computing kpt #: 212 total cpu time spent up to now is 143.9 secs Computing kpt #: 213 total cpu time spent up to now is 144.6 secs Computing kpt #: 214 total cpu time spent up to now is 145.3 secs Computing kpt #: 215 total cpu time spent up to now is 145.9 secs Computing kpt #: 216 total cpu time spent up to now is 146.6 secs Computing kpt #: 217 total cpu time spent up to now is 147.3 secs Computing kpt #: 218 total cpu time spent up to now is 148.0 secs Computing kpt #: 219 total cpu time spent up to now is 148.7 secs Computing kpt #: 220 total cpu time spent up to now is 149.3 secs Computing kpt #: 221 total cpu time spent up to now is 150.0 secs Computing kpt #: 222 total cpu time spent up to now is 150.7 secs Computing kpt #: 223 total cpu time spent up to now is 151.3 secs Computing kpt #: 224 total cpu time spent up to now is 152.0 secs Computing kpt #: 225 total cpu time spent up to now is 152.7 secs Computing kpt #: 226 total cpu time spent up to now is 153.3 secs Computing kpt #: 227 total cpu time spent up to now is 154.0 secs Computing kpt #: 228 total cpu time spent up to now is 154.6 secs Computing kpt #: 229 total cpu time spent up to now is 155.2 secs Computing kpt #: 230 total cpu time spent up to now is 155.9 secs Computing kpt #: 231 total cpu time spent up to now is 156.5 secs Computing kpt #: 232 total cpu time spent up to now is 157.1 secs Computing kpt #: 233 total cpu time spent up to now is 157.7 secs Computing kpt #: 234 total cpu time spent up to now is 158.3 secs Computing kpt #: 235 total cpu time spent up to now is 159.0 secs Computing kpt #: 236 total cpu time spent up to now is 159.6 secs Computing kpt #: 237 total cpu time spent up to now is 160.2 secs Computing kpt #: 238 total cpu time spent up to now is 160.8 secs Computing kpt #: 239 total cpu time spent up to now is 161.4 secs Computing kpt #: 240 total cpu time spent up to now is 162.1 secs Computing kpt #: 241 total cpu time spent up to now is 162.7 secs Computing kpt #: 242 total cpu time spent up to now is 163.4 secs Computing kpt #: 243 total cpu time spent up to now is 164.0 secs Computing kpt #: 244 total cpu time spent up to now is 164.6 secs Computing kpt #: 245 total cpu time spent up to now is 165.2 secs Computing kpt #: 246 total cpu time spent up to now is 165.8 secs Computing kpt #: 247 total cpu time spent up to now is 166.4 secs Computing kpt #: 248 total cpu time spent up to now is 167.0 secs Computing kpt #: 249 total cpu time spent up to now is 167.6 secs Computing kpt #: 250 total cpu time spent up to now is 168.3 secs Computing kpt #: 251 total cpu time spent up to now is 168.9 secs Computing kpt #: 252 total cpu time spent up to now is 169.5 secs Computing kpt #: 253 total cpu time spent up to now is 170.1 secs Computing kpt #: 254 total cpu time spent up to now is 170.7 secs Computing kpt #: 255 total cpu time spent up to now is 171.4 secs Computing kpt #: 256 total cpu time spent up to now is 172.0 secs Computing kpt #: 257 total cpu time spent up to now is 172.6 secs Computing kpt #: 258 total cpu time spent up to now is 173.3 secs Computing kpt #: 259 total cpu time spent up to now is 173.9 secs Computing kpt #: 260 total cpu time spent up to now is 174.5 secs Computing kpt #: 261 total cpu time spent up to now is 175.1 secs Computing kpt #: 262 total cpu time spent up to now is 175.7 secs Computing kpt #: 263 total cpu time spent up to now is 176.4 secs Computing kpt #: 264 total cpu time spent up to now is 177.0 secs Computing kpt #: 265 total cpu time spent up to now is 177.6 secs Computing kpt #: 266 total cpu time spent up to now is 178.3 secs Computing kpt #: 267 total cpu time spent up to now is 178.9 secs Computing kpt #: 268 total cpu time spent up to now is 179.5 secs Computing kpt #: 269 total cpu time spent up to now is 180.1 secs Computing kpt #: 270 total cpu time spent up to now is 180.8 secs Computing kpt #: 271 total cpu time spent up to now is 181.4 secs Computing kpt #: 272 total cpu time spent up to now is 182.0 secs Computing kpt #: 273 total cpu time spent up to now is 182.7 secs Computing kpt #: 274 total cpu time spent up to now is 183.3 secs Computing kpt #: 275 total cpu time spent up to now is 183.9 secs Computing kpt #: 276 total cpu time spent up to now is 184.7 secs Computing kpt #: 277 total cpu time spent up to now is 185.3 secs Computing kpt #: 278 total cpu time spent up to now is 186.0 secs Computing kpt #: 279 total cpu time spent up to now is 186.6 secs Computing kpt #: 280 total cpu time spent up to now is 187.3 secs Computing kpt #: 281 total cpu time spent up to now is 187.9 secs Computing kpt #: 282 total cpu time spent up to now is 188.5 secs Computing kpt #: 283 total cpu time spent up to now is 189.2 secs Computing kpt #: 284 total cpu time spent up to now is 189.8 secs Computing kpt #: 285 total cpu time spent up to now is 190.4 secs Computing kpt #: 286 total cpu time spent up to now is 191.1 secs Computing kpt #: 287 total cpu time spent up to now is 191.7 secs Computing kpt #: 288 total cpu time spent up to now is 192.3 secs Computing kpt #: 289 total cpu time spent up to now is 192.9 secs Computing kpt #: 290 total cpu time spent up to now is 193.5 secs Computing kpt #: 291 total cpu time spent up to now is 194.1 secs Computing kpt #: 292 total cpu time spent up to now is 194.7 secs Computing kpt #: 293 total cpu time spent up to now is 195.4 secs Computing kpt #: 294 total cpu time spent up to now is 196.0 secs Computing kpt #: 295 total cpu time spent up to now is 196.6 secs Computing kpt #: 296 total cpu time spent up to now is 197.3 secs Computing kpt #: 297 total cpu time spent up to now is 197.9 secs Computing kpt #: 298 total cpu time spent up to now is 198.5 secs Computing kpt #: 299 total cpu time spent up to now is 199.2 secs Computing kpt #: 300 total cpu time spent up to now is 199.8 secs Computing kpt #: 301 total cpu time spent up to now is 200.4 secs Computing kpt #: 302 total cpu time spent up to now is 201.0 secs Computing kpt #: 303 total cpu time spent up to now is 201.7 secs Computing kpt #: 304 total cpu time spent up to now is 202.3 secs Computing kpt #: 305 total cpu time spent up to now is 202.9 secs ethr = 2.78E-08, avg # of iterations = 17.7 total cpu time spent up to now is 202.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4347 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4316 -5.4316 -4.6775 -4.6775 -4.6059 -4.6059 -4.5907 -4.5907 -2.5413 -2.5413 -2.4472 -2.4472 -2.4072 -2.4072 0.7394 0.7394 5.3146 5.3146 5.5393 5.5393 5.6477 5.6477 5.6970 5.6970 7.0265 7.0265 7.2978 7.2978 9.2454 9.2454 9.2476 9.2476 9.6740 9.6740 11.2712 11.2712 k = 0.0106-0.0198-0.0119 ( 4343 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4308 -5.4308 -4.6779 -4.6779 -4.6084 -4.6084 -4.5876 -4.5876 -2.5412 -2.5412 -2.4471 -2.4471 -2.4072 -2.4072 0.7407 0.7407 5.3115 5.3115 5.5269 5.5269 5.6252 5.6252 5.7333 5.7333 7.0235 7.0235 7.2939 7.2939 9.2469 9.2469 9.2493 9.2493 9.6767 9.6767 11.1824 11.1824 k = 0.0213-0.0396-0.0238 ( 4337 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6520 -20.6520 -5.4284 -5.4284 -4.6790 -4.6790 -4.6131 -4.6131 -4.5810 -4.5810 -2.5409 -2.5409 -2.4468 -2.4468 -2.4072 -2.4072 0.7446 0.7446 5.3015 5.3015 5.4925 5.4925 5.6069 5.6069 5.7908 5.7908 7.0144 7.0144 7.2825 7.2825 9.2499 9.2499 9.2557 9.2557 9.6848 9.6848 11.0822 11.0822 k = 0.0319-0.0593-0.0357 ( 4336 PWs) bands (ev): -42.2438 -42.2438 -21.1750 -21.1750 -20.6777 -20.6777 -20.6522 -20.6522 -5.4244 -5.4244 -4.6809 -4.6809 -4.6179 -4.6179 -4.5732 -4.5732 -2.5405 -2.5405 -2.4464 -2.4464 -2.4072 -2.4072 0.7511 0.7511 5.2820 5.2820 5.4500 5.4500 5.5994 5.5994 5.8512 5.8512 6.9994 6.9994 7.2642 7.2642 9.2535 9.2535 9.2669 9.2669 9.6984 9.6984 10.9798 10.9798 k = 0.0426-0.0791-0.0476 ( 4338 PWs) bands (ev): -42.2438 -42.2438 -21.1752 -21.1752 -20.6778 -20.6778 -20.6525 -20.6525 -5.4188 -5.4188 -4.6836 -4.6836 -4.6221 -4.6221 -4.5648 -4.5648 -2.5398 -2.5398 -2.4457 -2.4457 -2.4072 -2.4072 0.7601 0.7601 5.2498 5.2498 5.4122 5.4122 5.5960 5.5960 5.9114 5.9114 6.9789 6.9789 7.2398 7.2398 9.2573 9.2573 9.2824 9.2824 9.7174 9.7174 10.8775 10.8775 k = 0.0532-0.0989-0.0595 ( 4336 PWs) bands (ev): -42.2437 -42.2437 -21.1753 -21.1753 -20.6778 -20.6778 -20.6528 -20.6528 -5.4116 -5.4116 -4.6869 -4.6869 -4.6256 -4.6256 -4.5559 -4.5559 -2.5390 -2.5390 -2.4450 -2.4450 -2.4071 -2.4071 0.7717 0.7717 5.2046 5.2046 5.3830 5.3830 5.5941 5.5941 5.9698 5.9698 6.9534 6.9534 7.2106 7.2106 9.2604 9.2604 9.3017 9.3017 9.7416 9.7416 10.7766 10.7766 k = 0.0638-0.1187-0.0714 ( 4335 PWs) bands (ev): -42.2437 -42.2437 -21.1755 -21.1755 -20.6779 -20.6779 -20.6533 -20.6533 -5.4028 -5.4028 -4.6908 -4.6908 -4.6284 -4.6284 -4.5468 -4.5468 -2.5380 -2.5380 -2.4440 -2.4440 -2.4071 -2.4071 0.7858 0.7858 5.1502 5.1502 5.3598 5.3598 5.5929 5.5929 6.0254 6.0254 6.9235 6.9235 7.1775 7.1775 9.2621 9.2621 9.3245 9.3245 9.7704 9.7704 10.6782 10.6782 k = 0.0745-0.1384-0.0833 ( 4334 PWs) bands (ev): -42.2436 -42.2436 -21.1758 -21.1758 -20.6780 -20.6780 -20.6538 -20.6538 -5.3926 -5.3926 -4.6952 -4.6952 -4.6306 -4.6306 -4.5373 -4.5373 -2.5369 -2.5369 -2.4429 -2.4429 -2.4070 -2.4070 0.8024 0.8024 5.0907 5.0907 5.3389 5.3389 5.5919 5.5919 6.0774 6.0774 6.8902 6.8902 7.1417 7.1417 9.2620 9.2620 9.3503 9.3503 9.8029 9.8029 10.5834 10.5834 k = 0.0851-0.1582-0.0952 ( 4328 PWs) bands (ev): -42.2436 -42.2436 -21.1761 -21.1761 -20.6781 -20.6781 -20.6544 -20.6544 -5.3808 -5.3808 -4.6998 -4.6998 -4.6323 -4.6323 -4.5277 -4.5277 -2.5356 -2.5356 -2.4417 -2.4417 -2.4069 -2.4069 0.8215 0.8215 5.0290 5.0290 5.3175 5.3175 5.5911 5.5911 6.1249 6.1249 6.8545 6.8545 7.1040 7.1040 9.2597 9.2597 9.3788 9.3788 9.8375 9.8375 10.4937 10.4937 k = 0.0957-0.1780-0.1071 ( 4328 PWs) bands (ev): -42.2435 -42.2435 -21.1764 -21.1764 -20.6782 -20.6782 -20.6550 -20.6550 -5.3676 -5.3676 -4.7046 -4.7046 -4.6335 -4.6335 -4.5180 -4.5180 -2.5343 -2.5343 -2.4403 -2.4403 -2.4068 -2.4068 0.8431 0.8431 4.9666 4.9666 5.2940 5.2940 5.5903 5.5903 6.1672 6.1672 6.8178 6.8178 7.0651 7.0651 9.2553 9.2553 9.4095 9.4095 9.8720 9.8720 10.4113 10.4113 k = 0.1064-0.1978-0.1190 ( 4326 PWs) bands (ev): -42.2434 -42.2434 -21.1767 -21.1767 -20.6783 -20.6783 -20.6557 -20.6557 -5.3531 -5.3531 -4.7094 -4.7094 -4.6344 -4.6344 -4.5081 -4.5081 -2.5328 -2.5328 -2.4387 -2.4387 -2.4067 -2.4067 0.8670 0.8670 4.9045 4.9045 5.2671 5.2671 5.5897 5.5897 6.2036 6.2036 6.7811 6.7811 7.0254 7.0254 9.2488 9.2488 9.4419 9.4419 9.9031 9.9031 10.3395 10.3395 k = 0.1170-0.2175-0.1309 ( 4328 PWs) bands (ev): -42.2434 -42.2434 -21.1771 -21.1771 -20.6785 -20.6785 -20.6565 -20.6565 -5.3371 -5.3371 -4.7142 -4.7142 -4.6350 -4.6350 -4.4982 -4.4982 -2.5313 -2.5313 -2.4371 -2.4371 -2.4065 -2.4065 0.8932 0.8932 4.8433 4.8433 5.2360 5.2360 5.5891 5.5891 6.2336 6.2336 6.7455 6.7455 6.9855 6.9855 9.2402 9.2402 9.4757 9.4757 9.9254 9.9254 10.2835 10.2835 k = 0.1277-0.2373-0.1428 ( 4331 PWs) bands (ev): -42.2433 -42.2433 -21.1775 -21.1775 -20.6786 -20.6786 -20.6573 -20.6573 -5.3200 -5.3200 -4.7188 -4.7188 -4.6353 -4.6353 -4.4882 -4.4882 -2.5297 -2.5297 -2.4353 -2.4353 -2.4063 -2.4063 0.9218 0.9218 4.7834 4.7834 5.2000 5.2000 5.5885 5.5885 6.2572 6.2572 6.7117 6.7117 6.9455 6.9455 9.2297 9.2297 9.5103 9.5103 9.9317 9.9317 10.2505 10.2505 k = 0.1383-0.2571-0.1547 ( 4334 PWs) bands (ev): -42.2432 -42.2432 -21.1779 -21.1779 -20.6789 -20.6789 -20.6581 -20.6581 -5.3016 -5.3016 -4.7232 -4.7232 -4.6355 -4.6355 -4.4782 -4.4782 -2.5281 -2.5281 -2.4335 -2.4335 -2.4060 -2.4060 0.9526 0.9526 4.7251 4.7251 5.1589 5.1589 5.5881 5.5881 6.2745 6.2745 6.6798 6.6798 6.9057 6.9057 9.2176 9.2176 9.5455 9.5455 9.9182 9.9182 10.2444 10.2444 k = 0.1489-0.2769-0.1666 ( 4334 PWs) bands (ev): -42.2431 -42.2431 -21.1784 -21.1784 -20.6791 -20.6791 -20.6589 -20.6589 -5.2820 -5.2820 -4.7273 -4.7273 -4.6355 -4.6355 -4.4682 -4.4682 -2.5264 -2.5264 -2.4315 -2.4315 -2.4056 -2.4056 0.9855 0.9855 4.6687 4.6687 5.1123 5.1123 5.5877 5.5877 6.2862 6.2862 6.6492 6.6492 6.8662 6.8662 9.2038 9.2038 9.5807 9.5807 9.8897 9.8897 10.2605 10.2605 k = 0.1596-0.2966-0.1785 ( 4330 PWs) bands (ev): -42.2430 -42.2430 -21.1789 -21.1789 -20.6794 -20.6794 -20.6598 -20.6598 -5.2615 -5.2615 -4.7311 -4.7311 -4.6354 -4.6354 -4.4582 -4.4582 -2.5247 -2.5247 -2.4295 -2.4295 -2.4051 -2.4051 1.0206 1.0206 4.6143 4.6143 5.0604 5.0604 5.5875 5.5875 6.2934 6.2934 6.6190 6.6190 6.8273 6.8273 9.1886 9.1886 9.6157 9.6157 9.8550 9.8550 10.2900 10.2900 k = 0.1702-0.3164-0.1904 ( 4325 PWs) bands (ev): -42.2429 -42.2429 -21.1794 -21.1794 -20.6797 -20.6797 -20.6607 -20.6607 -5.2400 -5.2400 -4.7345 -4.7345 -4.6352 -4.6352 -4.4483 -4.4483 -2.5231 -2.5231 -2.4274 -2.4274 -2.4045 -2.4045 1.0576 1.0576 4.5620 4.5620 5.0033 5.0033 5.5872 5.5872 6.2974 6.2974 6.5881 6.5881 6.7889 6.7889 9.1721 9.1721 9.6501 9.6501 9.8206 9.8206 10.3261 10.3261 k = 0.1809-0.3362-0.2023 ( 4320 PWs) bands (ev): -42.2428 -42.2428 -21.1799 -21.1799 -20.6800 -20.6800 -20.6615 -20.6615 -5.2176 -5.2176 -4.7375 -4.7375 -4.6349 -4.6349 -4.4384 -4.4384 -2.5215 -2.5215 -2.4252 -2.4252 -2.4038 -2.4038 1.0965 1.0965 4.5120 4.5120 4.9416 4.9416 5.5869 5.5869 6.2991 6.2991 6.5553 6.5553 6.7511 6.7511 9.1545 9.1545 9.6835 9.6835 9.7900 9.7900 10.3649 10.3649 k = 0.1915-0.3560-0.2142 ( 4321 PWs) bands (ev): -42.2426 -42.2426 -21.1805 -21.1805 -20.6804 -20.6804 -20.6624 -20.6624 -5.1945 -5.1945 -4.7400 -4.7400 -4.6346 -4.6346 -4.4286 -4.4286 -2.5199 -2.5199 -2.4231 -2.4231 -2.4030 -2.4030 1.1372 1.1372 4.4643 4.4643 4.8757 4.8757 5.5866 5.5866 6.2994 6.2994 6.5199 6.5199 6.7138 6.7138 9.1362 9.1362 9.7151 9.7151 9.7653 9.7653 10.4038 10.4038 k = 0.2021-0.3757-0.2261 ( 4319 PWs) bands (ev): -42.2425 -42.2425 -21.1810 -21.1810 -20.6809 -20.6809 -20.6632 -20.6632 -5.1709 -5.1709 -4.7421 -4.7421 -4.6341 -4.6341 -4.4190 -4.4190 -2.5185 -2.5185 -2.4209 -2.4209 -2.4020 -2.4020 1.1796 1.1796 4.4189 4.4189 4.8065 4.8065 5.5862 5.5862 6.2983 6.2983 6.4816 6.4816 6.6774 6.6774 9.1173 9.1173 9.7366 9.7366 9.7550 9.7550 10.4406 10.4406 k = 0.2128-0.3955-0.2380 ( 4317 PWs) bands (ev): -42.2424 -42.2424 -21.1816 -21.1816 -20.6814 -20.6814 -20.6641 -20.6641 -5.1467 -5.1467 -4.7435 -4.7435 -4.6336 -4.6336 -4.4095 -4.4095 -2.5171 -2.5171 -2.4188 -2.4188 -2.4008 -2.4008 1.2236 1.2236 4.3757 4.3757 4.7348 4.7348 5.5855 5.5855 6.2949 6.2949 6.4412 6.4412 6.6423 6.6423 9.0982 9.0982 9.7275 9.7275 9.7792 9.7792 10.4730 10.4730 k = 0.2234-0.4153-0.2499 ( 4318 PWs) bands (ev): -42.2423 -42.2423 -21.1822 -21.1822 -20.6820 -20.6820 -20.6648 -20.6648 -5.1223 -5.1223 -4.7444 -4.7444 -4.6331 -4.6331 -4.4001 -4.4001 -2.5158 -2.5158 -2.4168 -2.4168 -2.3995 -2.3995 1.2690 1.2690 4.3345 4.3345 4.6616 4.6616 5.5846 5.5846 6.2857 6.2857 6.4014 6.4014 6.6092 6.6092 9.0791 9.0791 9.7186 9.7186 9.8065 9.8065 10.4975 10.4975 k = 0.2340-0.4351-0.2618 ( 4320 PWs) bands (ev): -42.2421 -42.2421 -21.1828 -21.1828 -20.6826 -20.6826 -20.6656 -20.6656 -5.0978 -5.0978 -4.7446 -4.7446 -4.6325 -4.6325 -4.3909 -4.3909 -2.5147 -2.5147 -2.4148 -2.4148 -2.3979 -2.3979 1.3156 1.3156 4.2950 4.2950 4.5881 4.5881 5.5834 5.5834 6.2638 6.2638 6.3688 6.3688 6.5793 6.5793 9.0600 9.0600 9.7133 9.7133 9.8324 9.8324 10.5101 10.5101 k = 0.2447-0.4548-0.2737 ( 4319 PWs) bands (ev): -42.2420 -42.2420 -21.1835 -21.1835 -20.6833 -20.6833 -20.6662 -20.6662 -5.0733 -5.0733 -4.7440 -4.7440 -4.6319 -4.6319 -4.3820 -4.3820 -2.5136 -2.5136 -2.4130 -2.4130 -2.3961 -2.3961 1.3634 1.3634 4.2562 4.2562 4.5157 4.5157 5.5819 5.5819 6.2230 6.2230 6.3484 6.3484 6.5539 6.5539 9.0412 9.0412 9.7109 9.7109 9.8565 9.8565 10.5071 10.5071 k = 0.2553-0.4746-0.2856 ( 4318 PWs) bands (ev): -42.2419 -42.2419 -21.1841 -21.1841 -20.6840 -20.6840 -20.6668 -20.6668 -5.0492 -5.0492 -4.7425 -4.7425 -4.6312 -4.6312 -4.3732 -4.3732 -2.5127 -2.5127 -2.4113 -2.4113 -2.3941 -2.3941 1.4122 1.4122 4.2169 4.2169 4.4465 4.4465 5.5798 5.5798 6.1672 6.1672 6.3357 6.3357 6.5344 6.5344 9.0226 9.0226 9.7102 9.7102 9.8788 9.8788 10.4878 10.4878 k = 0.2660-0.4944-0.2975 ( 4316 PWs) bands (ev): -42.2418 -42.2418 -21.1847 -21.1847 -20.6848 -20.6848 -20.6674 -20.6674 -5.0256 -5.0256 -4.7400 -4.7400 -4.6304 -4.6304 -4.3646 -4.3646 -2.5119 -2.5119 -2.4097 -2.4097 -2.3919 -2.3919 1.4618 1.4618 4.1748 4.1748 4.3833 4.3833 5.5772 5.5772 6.1024 6.1024 6.3240 6.3240 6.5218 6.5218 9.0043 9.0043 9.7099 9.7099 9.8991 9.8991 10.4547 10.4547 k = 0.2766-0.5142-0.3094 ( 4318 PWs) bands (ev): -42.2416 -42.2416 -21.1853 -21.1853 -20.6856 -20.6856 -20.6679 -20.6679 -5.0029 -5.0029 -4.7365 -4.7365 -4.6295 -4.6295 -4.3564 -4.3564 -2.5112 -2.5112 -2.4082 -2.4082 -2.3896 -2.3896 1.5120 1.5120 4.1275 4.1275 4.3290 4.3290 5.5738 5.5738 6.0321 6.0321 6.3104 6.3104 6.5167 6.5167 8.9862 8.9862 9.7085 9.7085 9.9176 9.9176 10.4122 10.4122 k = 0.2872-0.5339-0.3213 ( 4326 PWs) bands (ev): -42.2415 -42.2415 -21.1860 -21.1860 -20.6865 -20.6865 -20.6683 -20.6683 -4.9814 -4.9814 -4.7317 -4.7317 -4.6286 -4.6286 -4.3484 -4.3484 -2.5107 -2.5107 -2.4069 -2.4069 -2.3870 -2.3870 1.5626 1.5626 4.0731 4.0731 4.2861 4.2861 5.5697 5.5697 5.9580 5.9580 6.2944 6.2944 6.5182 6.5182 8.9683 8.9683 9.7041 9.7041 9.9343 9.9343 10.3650 10.3650 k = 0.2979-0.5537-0.3332 ( 4326 PWs) bands (ev): -42.2414 -42.2414 -21.1866 -21.1866 -20.6874 -20.6874 -20.6687 -20.6687 -4.9613 -4.9613 -4.7255 -4.7255 -4.6275 -4.6275 -4.3407 -4.3407 -2.5102 -2.5102 -2.4056 -2.4056 -2.3844 -2.3844 1.6134 1.6134 4.0123 4.0123 4.2543 4.2543 5.5643 5.5643 5.8817 5.8817 6.2766 6.2766 6.5251 6.5251 8.9504 8.9504 9.6948 9.6948 9.9493 9.9493 10.3176 10.3176 k = 0.3085-0.5735-0.3451 ( 4316 PWs) bands (ev): -42.2413 -42.2413 -21.1872 -21.1872 -20.6883 -20.6883 -20.6690 -20.6690 -4.9429 -4.9429 -4.7179 -4.7179 -4.6261 -4.6261 -4.3333 -4.3333 -2.5098 -2.5098 -2.4044 -2.4044 -2.3816 -2.3816 1.6642 1.6642 3.9473 3.9473 4.2317 4.2317 5.5571 5.5571 5.8047 5.8047 6.2580 6.2580 6.5361 6.5361 8.9326 8.9326 9.6788 9.6788 9.9628 9.9628 10.2736 10.2736 k = 0.3191-0.5933-0.3570 ( 4310 PWs) bands (ev): -42.2412 -42.2412 -21.1878 -21.1878 -20.6892 -20.6892 -20.6693 -20.6693 -4.9264 -4.9264 -4.7089 -4.7089 -4.6245 -4.6245 -4.3262 -4.3262 -2.5095 -2.5095 -2.4033 -2.4033 -2.3788 -2.3788 1.7147 1.7147 3.8805 3.8805 4.2164 4.2164 5.5465 5.5465 5.7294 5.7294 6.2392 6.2392 6.5500 6.5500 8.9147 8.9147 9.6544 9.6544 9.9747 9.9747 10.2360 10.2360 k = 0.3298-0.6130-0.3689 ( 4307 PWs) bands (ev): -42.2411 -42.2411 -21.1883 -21.1883 -20.6901 -20.6901 -20.6696 -20.6696 -4.9120 -4.9120 -4.6988 -4.6988 -4.6224 -4.6224 -4.3195 -4.3195 -2.5093 -2.5093 -2.4023 -2.4023 -2.3760 -2.3760 1.7647 1.7647 3.8136 3.8136 4.2070 4.2070 5.5281 5.5281 5.6609 5.6609 6.2210 6.2210 6.5661 6.5661 8.8968 8.8968 9.6211 9.6211 9.9853 9.9853 10.2068 10.2068 k = 0.3404-0.6328-0.3808 ( 4301 PWs) bands (ev): -42.2409 -42.2409 -21.1889 -21.1889 -20.6910 -20.6910 -20.6698 -20.6698 -4.8996 -4.8996 -4.6879 -4.6879 -4.6196 -4.6196 -4.3131 -4.3131 -2.5091 -2.5091 -2.4013 -2.4013 -2.3731 -2.3731 1.8140 1.8140 3.7477 3.7477 4.2025 4.2025 5.4916 5.4916 5.6100 5.6100 6.2036 6.2036 6.5836 6.5836 8.8787 8.8787 9.5793 9.5793 9.9946 9.9946 10.1861 10.1861 k = 0.3511-0.6526-0.3927 ( 4299 PWs) bands (ev): -42.2408 -42.2408 -21.1894 -21.1894 -20.6919 -20.6919 -20.6700 -20.6700 -4.8891 -4.8891 -4.6768 -4.6768 -4.6158 -4.6158 -4.3071 -4.3071 -2.5090 -2.5090 -2.4004 -2.4004 -2.3703 -2.3703 1.8623 1.8623 3.6837 3.6837 4.2024 4.2024 5.4326 5.4326 5.5820 5.5820 6.1873 6.1873 6.6020 6.6020 8.8604 8.8604 9.5306 9.5306 10.0026 10.0026 10.1732 10.1732 k = 0.3617-0.6724-0.4046 ( 4299 PWs) bands (ev): -42.2407 -42.2407 -21.1899 -21.1899 -20.6928 -20.6928 -20.6701 -20.6701 -4.8804 -4.8804 -4.6665 -4.6665 -4.6103 -4.6103 -4.3016 -4.3016 -2.5090 -2.5090 -2.3996 -2.3996 -2.3676 -2.3676 1.9093 1.9093 3.6222 3.6222 4.2062 4.2062 5.3615 5.3615 5.5666 5.5666 6.1722 6.1722 6.6210 6.6210 8.8418 8.8418 9.4772 9.4772 10.0095 10.0095 10.1666 10.1666 k = 0.3723-0.6921-0.4165 ( 4295 PWs) bands (ev): -42.2407 -42.2407 -21.1904 -21.1904 -20.6936 -20.6936 -20.6702 -20.6702 -4.8731 -4.8731 -4.6579 -4.6579 -4.6027 -4.6027 -4.2964 -4.2964 -2.5090 -2.5090 -2.3988 -2.3988 -2.3649 -2.3649 1.9547 1.9547 3.5637 3.5637 4.2137 4.2137 5.2868 5.2868 5.5562 5.5562 6.1584 6.1584 6.6402 6.6402 8.8230 8.8230 9.4214 9.4214 10.0155 10.0155 10.1646 10.1646 k = 0.3830-0.7119-0.4284 ( 4293 PWs) bands (ev): -42.2406 -42.2406 -21.1909 -21.1909 -20.6944 -20.6944 -20.6704 -20.6704 -4.8671 -4.8671 -4.6513 -4.6513 -4.5930 -4.5930 -4.2917 -4.2917 -2.5090 -2.5090 -2.3981 -2.3981 -2.3623 -2.3623 1.9982 1.9982 3.5085 3.5085 4.2246 4.2246 5.2117 5.2117 5.5478 5.5478 6.1460 6.1460 6.6592 6.6592 8.8040 8.8040 9.3652 9.3652 10.0205 10.0205 10.1656 10.1656 k = 0.3936-0.7317-0.4403 ( 4288 PWs) bands (ev): -42.2405 -42.2405 -21.1913 -21.1913 -20.6951 -20.6951 -20.6705 -20.6705 -4.8622 -4.8622 -4.6466 -4.6466 -4.5816 -4.5816 -4.2874 -4.2874 -2.5090 -2.5090 -2.3974 -2.3974 -2.3599 -2.3599 2.0395 2.0395 3.4571 3.4571 4.2388 4.2388 5.1376 5.1376 5.5405 5.5405 6.1348 6.1348 6.6778 6.6778 8.7848 8.7848 9.3104 9.3104 10.0248 10.0248 10.1685 10.1685 k = 0.4043-0.7515-0.4522 ( 4283 PWs) bands (ev): -42.2404 -42.2404 -21.1917 -21.1917 -20.6957 -20.6957 -20.6706 -20.6706 -4.8581 -4.8581 -4.6434 -4.6434 -4.5693 -4.5693 -4.2835 -4.2835 -2.5091 -2.5091 -2.3968 -2.3968 -2.3576 -2.3576 2.0783 2.0783 3.4096 3.4096 4.2560 4.2560 5.0653 5.0653 5.5340 5.5340 6.1250 6.1250 6.6957 6.6957 8.7654 8.7654 9.2584 9.2584 10.0284 10.0284 10.1723 10.1723 k = 0.4149-0.7713-0.4641 ( 4286 PWs) bands (ev): -42.2403 -42.2403 -21.1920 -21.1920 -20.6964 -20.6964 -20.6706 -20.6706 -4.8548 -4.8548 -4.6411 -4.6411 -4.5570 -4.5570 -4.2801 -4.2801 -2.5092 -2.5092 -2.3963 -2.3963 -2.3555 -2.3555 2.1142 2.1142 3.3664 3.3664 4.2763 4.2763 4.9953 4.9953 5.5280 5.5280 6.1163 6.1163 6.7125 6.7125 8.7461 8.7461 9.2104 9.2104 10.0314 10.0314 10.1763 10.1763 k = 0.4255-0.7910-0.4760 ( 4284 PWs) bands (ev): -42.2403 -42.2403 -21.1924 -21.1924 -20.6969 -20.6969 -20.6707 -20.6707 -4.8520 -4.8520 -4.6395 -4.6395 -4.5453 -4.5453 -4.2771 -4.2771 -2.5093 -2.5093 -2.3958 -2.3958 -2.3536 -2.3536 2.1470 2.1470 3.3277 3.3277 4.2994 4.2994 4.9279 4.9279 5.5227 5.5227 6.1088 6.1088 6.7282 6.7282 8.7271 8.7271 9.1673 9.1673 10.0339 10.0339 10.1800 10.1800 k = 0.4362-0.8108-0.4879 ( 4290 PWs) bands (ev): -42.2402 -42.2402 -21.1927 -21.1927 -20.6974 -20.6974 -20.6708 -20.6708 -4.8498 -4.8498 -4.6383 -4.6383 -4.5344 -4.5344 -4.2746 -4.2746 -2.5093 -2.5093 -2.3954 -2.3954 -2.3519 -2.3519 2.1762 2.1762 3.2936 3.2936 4.3252 4.3252 4.8633 4.8633 5.5179 5.5179 6.1025 6.1025 6.7423 6.7423 8.7088 8.7088 9.1296 9.1296 10.0360 10.0360 10.1831 10.1831 k = 0.4468-0.8306-0.4998 ( 4288 PWs) bands (ev): -42.2402 -42.2402 -21.1929 -21.1929 -20.6978 -20.6978 -20.6708 -20.6708 -4.8480 -4.8480 -4.6374 -4.6374 -4.5248 -4.5248 -4.2724 -4.2724 -2.5094 -2.5094 -2.3951 -2.3951 -2.3505 -2.3505 2.2017 2.2017 3.2644 3.2644 4.3539 4.3539 4.8017 4.8017 5.5137 5.5137 6.0972 6.0972 6.7548 6.7548 8.6919 8.6919 9.0977 9.0977 10.0377 10.0377 10.1855 10.1855 k = 0.4574-0.8504-0.5117 ( 4280 PWs) bands (ev): -42.2401 -42.2401 -21.1931 -21.1931 -20.6981 -20.6981 -20.6708 -20.6708 -4.8466 -4.8466 -4.6367 -4.6367 -4.5166 -4.5166 -4.2707 -4.2707 -2.5094 -2.5094 -2.3947 -2.3947 -2.3492 -2.3492 2.2230 2.2230 3.2403 3.2403 4.3852 4.3852 4.7432 4.7432 5.5102 5.5102 6.0930 6.0930 6.7653 6.7653 8.6768 8.6768 9.0717 9.0717 10.0390 10.0390 10.1871 10.1871 k = 0.4681-0.8701-0.5236 ( 4282 PWs) bands (ev): -42.2401 -42.2401 -21.1932 -21.1932 -20.6984 -20.6984 -20.6709 -20.6709 -4.8456 -4.8456 -4.6363 -4.6363 -4.5101 -4.5101 -4.2694 -4.2694 -2.5095 -2.5095 -2.3945 -2.3945 -2.3483 -2.3483 2.2399 2.2399 3.2213 3.2213 4.4193 4.4193 4.6880 4.6880 5.5075 5.5075 6.0898 6.0898 6.7736 6.7736 8.6642 8.6642 9.0517 9.0517 10.0400 10.0400 10.1882 10.1882 k = 0.4787-0.8899-0.5355 ( 4286 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6986 -20.6986 -20.6709 -20.6709 -4.8448 -4.8448 -4.6360 -4.6360 -4.5053 -4.5053 -4.2685 -4.2685 -2.5096 -2.5096 -2.3944 -2.3944 -2.3476 -2.3476 2.2521 2.2521 3.2077 3.2077 4.4560 4.4560 4.6362 4.6362 5.5055 5.5055 6.0875 6.0875 6.7797 6.7797 8.6547 8.6547 9.0375 9.0375 10.0406 10.0406 10.1888 10.1888 k = 0.4894-0.9097-0.5474 ( 4286 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8444 -4.8444 -4.6358 -4.6358 -4.5024 -4.5024 -4.2679 -4.2679 -2.5096 -2.5096 -2.3943 -2.3943 -2.3471 -2.3471 2.2596 2.2596 3.1995 3.1995 4.4948 4.4948 4.5882 4.5882 5.5043 5.5043 6.0861 6.0861 6.7835 6.7835 8.6488 8.6488 9.0291 9.0291 10.0410 10.0410 10.1891 10.1891 k = 0.5000-0.9295-0.5593 ( 4272 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8442 -4.8442 -4.6357 -4.6357 -4.5014 -4.5014 -4.2677 -4.2677 -2.5096 -2.5096 -2.3942 -2.3942 -2.3470 -2.3470 2.2621 2.2621 3.1968 3.1968 4.5257 4.5257 4.5544 4.5544 5.5039 5.5039 6.0856 6.0856 6.7847 6.7847 8.6468 8.6468 9.0263 9.0263 10.0412 10.0412 10.1892 10.1892 k = 0.5000-0.9295-0.5593 ( 4272 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8442 -4.8442 -4.6357 -4.6357 -4.5014 -4.5014 -4.2677 -4.2677 -2.5096 -2.5096 -2.3942 -2.3942 -2.3470 -2.3470 2.2621 2.2621 3.1968 3.1968 4.5257 4.5257 4.5544 4.5544 5.5039 5.5039 6.0856 6.0856 6.7847 6.7847 8.6468 8.6468 9.0263 9.0263 10.0412 10.0412 10.1892 10.1892 k = 0.5000-0.9163-0.5812 ( 4282 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8440 -4.8440 -4.6362 -4.6362 -4.5006 -4.5006 -4.2677 -4.2677 -2.5094 -2.5094 -2.3943 -2.3943 -2.3471 -2.3471 2.2625 2.2625 3.1982 3.1982 4.5261 4.5261 4.5551 4.5551 5.5027 5.5027 6.0799 6.0799 6.7815 6.7815 8.6495 8.6495 9.0280 9.0280 10.0416 10.0416 10.1887 10.1887 k = 0.5000-0.9031-0.6031 ( 4276 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6710 -20.6710 -4.8435 -4.8435 -4.6378 -4.6378 -4.4983 -4.4983 -4.2677 -4.2677 -2.5089 -2.5089 -2.3944 -2.3944 -2.3473 -2.3473 2.2638 2.2638 3.2024 3.2024 4.5272 4.5272 4.5571 4.5571 5.4993 5.4993 6.0630 6.0630 6.7721 6.7721 8.6575 8.6575 9.0331 9.0331 10.0429 10.0429 10.1872 10.1872 k = 0.5000-0.8899-0.6250 ( 4276 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6986 -20.6986 -20.6712 -20.6712 -4.8426 -4.8426 -4.6402 -4.6402 -4.4945 -4.4945 -4.2678 -4.2678 -2.5082 -2.5082 -2.3946 -2.3946 -2.3478 -2.3478 2.2660 2.2660 3.2094 3.2094 4.5291 4.5291 4.5604 4.5604 5.4936 5.4936 6.0354 6.0354 6.7567 6.7567 8.6703 8.6703 9.0415 9.0415 10.0449 10.0449 10.1845 10.1845 k = 0.5000-0.8767-0.6469 ( 4284 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6985 -20.6985 -20.6714 -20.6714 -4.8414 -4.8414 -4.6435 -4.6435 -4.4894 -4.4894 -4.2678 -4.2678 -2.5071 -2.5071 -2.3950 -2.3950 -2.3484 -2.3484 2.2691 2.2691 3.2193 3.2193 4.5316 4.5316 4.5651 4.5651 5.4856 5.4856 5.9981 5.9981 6.7356 6.7356 8.6872 8.6872 9.0531 9.0531 10.0476 10.0476 10.1806 10.1806 k = 0.5000-0.8636-0.6688 ( 4280 PWs) bands (ev): -42.2400 -42.2400 -21.1936 -21.1936 -20.6984 -20.6984 -20.6717 -20.6717 -4.8398 -4.8398 -4.6473 -4.6473 -4.4832 -4.4832 -4.2679 -4.2679 -2.5057 -2.5057 -2.3954 -2.3954 -2.3492 -2.3492 2.2729 2.2729 3.2319 3.2319 4.5346 4.5346 4.5709 4.5709 5.4754 5.4754 5.9523 5.9523 6.7093 6.7093 8.7075 8.7075 9.0678 9.0678 10.0508 10.0508 10.1753 10.1753 k = 0.5000-0.8504-0.6907 ( 4282 PWs) bands (ev): -42.2400 -42.2400 -21.1936 -21.1936 -20.6983 -20.6983 -20.6721 -20.6721 -4.8379 -4.8379 -4.6515 -4.6515 -4.4760 -4.4760 -4.2680 -4.2680 -2.5041 -2.5041 -2.3959 -2.3959 -2.3501 -2.3501 2.2776 2.2776 3.2473 3.2473 4.5379 4.5379 4.5780 4.5780 5.4630 5.4630 5.8993 5.8993 6.6782 6.6782 8.7304 8.7304 9.0852 9.0852 10.0543 10.0543 10.1686 10.1686 k = 0.5000-0.8372-0.7126 ( 4276 PWs) bands (ev): -42.2400 -42.2400 -21.1937 -21.1937 -20.6981 -20.6981 -20.6724 -20.6724 -4.8356 -4.8356 -4.6561 -4.6561 -4.4681 -4.4681 -4.2681 -4.2681 -2.5021 -2.5021 -2.3965 -2.3965 -2.3512 -2.3512 2.2830 2.2830 3.2655 3.2655 4.5412 4.5412 4.5860 4.5860 5.4485 5.4485 5.8406 5.8406 6.6430 6.6430 8.7551 8.7551 9.1051 9.1051 10.0577 10.0577 10.1605 10.1605 k = 0.5000-0.8240-0.7345 ( 4276 PWs) bands (ev): -42.2400 -42.2400 -21.1937 -21.1937 -20.6978 -20.6978 -20.6729 -20.6729 -4.8330 -4.8330 -4.6609 -4.6609 -4.4597 -4.4597 -4.2682 -4.2682 -2.4999 -2.4999 -2.3971 -2.3971 -2.3525 -2.3525 2.2892 2.2892 3.2863 3.2863 4.5442 4.5442 4.5950 4.5950 5.4320 5.4320 5.7779 5.7779 6.6042 6.6042 8.7811 8.7811 9.1271 9.1271 10.0607 10.0607 10.1508 10.1508 k = 0.5000-0.8108-0.7564 ( 4282 PWs) bands (ev): -42.2400 -42.2400 -21.1938 -21.1938 -20.6976 -20.6976 -20.6734 -20.6734 -4.8302 -4.8302 -4.6659 -4.6659 -4.4507 -4.4507 -4.2684 -4.2684 -2.4974 -2.4974 -2.3979 -2.3979 -2.3538 -2.3538 2.2960 2.2960 3.3098 3.3098 4.5465 4.5465 4.6048 4.6048 5.4133 5.4133 5.7129 5.7129 6.5625 6.5625 8.8077 8.8077 9.1510 9.1510 10.0630 10.0630 10.1399 10.1399 k = 0.5000-0.7977-0.7783 ( 4284 PWs) bands (ev): -42.2399 -42.2399 -21.1939 -21.1939 -20.6974 -20.6974 -20.6740 -20.6740 -4.8270 -4.8270 -4.6710 -4.6710 -4.4414 -4.4414 -4.2685 -4.2685 -2.4947 -2.4947 -2.3987 -2.3987 -2.3553 -2.3553 2.3034 2.3034 3.3359 3.3359 4.5473 4.5473 4.6152 4.6152 5.3927 5.3927 5.6475 5.6475 6.5184 6.5184 8.8346 8.8346 9.1763 9.1763 10.0640 10.0640 10.1279 10.1279 k = 0.5000-0.7845-0.8002 ( 4288 PWs) bands (ev): -42.2399 -42.2399 -21.1940 -21.1940 -20.6971 -20.6971 -20.6745 -20.6745 -4.8236 -4.8236 -4.6760 -4.6760 -4.4318 -4.4318 -4.2687 -4.2687 -2.4917 -2.4917 -2.3996 -2.3996 -2.3569 -2.3569 2.3112 2.3112 3.3645 3.3645 4.5461 4.5461 4.6261 4.6261 5.3700 5.3700 5.5836 5.5836 6.4727 6.4727 8.8613 8.8613 9.2028 9.2028 10.0633 10.0633 10.1151 10.1151 k = 0.5000-0.7713-0.8221 ( 4288 PWs) bands (ev): -42.2399 -42.2399 -21.1941 -21.1941 -20.6968 -20.6968 -20.6751 -20.6751 -4.8200 -4.8200 -4.6811 -4.6811 -4.4221 -4.4221 -4.2689 -4.2689 -2.4886 -2.4886 -2.4006 -2.4006 -2.3586 -2.3586 2.3195 2.3195 3.3957 3.3957 4.5418 4.5418 4.6374 4.6374 5.3451 5.3451 5.5233 5.5233 6.4259 6.4259 8.8877 8.8877 9.2302 9.2302 10.0598 10.0598 10.1023 10.1023 k = 0.5000-0.7581-0.8440 ( 4300 PWs) bands (ev): -42.2399 -42.2399 -21.1942 -21.1942 -20.6965 -20.6965 -20.6758 -20.6758 -4.8161 -4.8161 -4.6862 -4.6862 -4.4124 -4.4124 -4.2692 -4.2692 -2.4853 -2.4853 -2.4016 -2.4016 -2.3604 -2.3604 2.3281 2.3281 3.4293 3.4293 4.5333 4.5333 4.6488 4.6488 5.3181 5.3181 5.4687 5.4687 6.3786 6.3786 8.9133 8.9133 9.2583 9.2583 10.0524 10.0524 10.0906 10.0906 k = 0.5000-0.7449-0.8659 ( 4300 PWs) bands (ev): -42.2398 -42.2398 -21.1943 -21.1943 -20.6962 -20.6962 -20.6764 -20.6764 -4.8121 -4.8121 -4.6912 -4.6912 -4.4026 -4.4026 -4.2694 -4.2694 -2.4818 -2.4818 -2.4027 -2.4027 -2.3622 -2.3622 2.3369 2.3369 3.4653 3.4653 4.5197 4.5197 4.6601 4.6601 5.2893 5.2893 5.4215 5.4215 6.3312 6.3312 8.9378 8.9378 9.2869 9.2869 10.0399 10.0399 10.0810 10.0810 k = 0.5000-0.7318-0.8878 ( 4298 PWs) bands (ev): -42.2398 -42.2398 -21.1944 -21.1944 -20.6959 -20.6959 -20.6771 -20.6771 -4.8078 -4.8078 -4.6961 -4.6961 -4.3931 -4.3931 -4.2697 -4.2697 -2.4782 -2.4782 -2.4038 -2.4038 -2.3640 -2.3640 2.3457 2.3457 3.5035 3.5035 4.4998 4.4998 4.6711 4.6711 5.2600 5.2600 5.3825 5.3825 6.2844 6.2844 8.9608 8.9608 9.3158 9.3158 10.0227 10.0227 10.0733 10.0733 k = 0.5000-0.7186-0.9098 ( 4296 PWs) bands (ev): -42.2398 -42.2398 -21.1945 -21.1945 -20.6956 -20.6956 -20.6777 -20.6777 -4.8034 -4.8034 -4.7010 -4.7010 -4.3837 -4.3837 -4.2699 -4.2699 -2.4745 -2.4745 -2.4049 -2.4049 -2.3659 -2.3659 2.3545 2.3545 3.5441 3.5441 4.4730 4.4730 4.6814 4.6814 5.2323 5.2323 5.3512 5.3512 6.2385 6.2385 8.9819 8.9819 9.3452 9.3452 10.0015 10.0015 10.0669 10.0669 k = 0.5000-0.7054-0.9317 ( 4302 PWs) bands (ev): -42.2398 -42.2398 -21.1946 -21.1946 -20.6953 -20.6953 -20.6784 -20.6784 -4.7988 -4.7988 -4.7059 -4.7059 -4.3747 -4.3747 -4.2702 -4.2702 -2.4708 -2.4708 -2.4061 -2.4061 -2.3678 -2.3678 2.3629 2.3629 3.5867 3.5867 4.4392 4.4392 4.6908 4.6908 5.2083 5.2083 5.3266 5.3266 6.1939 6.1939 9.0008 9.0008 9.3749 9.3749 9.9769 9.9769 10.0614 10.0614 k = 0.5000-0.6922-0.9536 ( 4316 PWs) bands (ev): -42.2397 -42.2397 -21.1947 -21.1947 -20.6950 -20.6950 -20.6790 -20.6790 -4.7942 -4.7942 -4.7107 -4.7107 -4.3662 -4.3662 -4.2705 -4.2705 -2.4672 -2.4672 -2.4073 -2.4073 -2.3697 -2.3697 2.3709 2.3709 3.6315 3.6315 4.3988 4.3988 4.6986 4.6986 5.1893 5.1893 5.3080 5.3080 6.1508 6.1508 9.0168 9.0168 9.4049 9.4049 9.9488 9.9488 10.0570 10.0570 k = 0.5000-0.6790-0.9755 ( 4314 PWs) bands (ev): -42.2397 -42.2397 -21.1948 -21.1948 -20.6947 -20.6947 -20.6796 -20.6796 -4.7894 -4.7894 -4.7155 -4.7155 -4.3582 -4.3582 -4.2707 -4.2707 -2.4636 -2.4636 -2.4084 -2.4084 -2.3715 -2.3715 2.3783 2.3783 3.6782 3.6782 4.3529 4.3529 4.7047 4.7047 5.1759 5.1759 5.2947 5.2947 6.1095 6.1095 9.0295 9.0295 9.4352 9.4352 9.9175 9.9175 10.0541 10.0541 k = 0.5000-0.6659-0.9974 ( 4312 PWs) bands (ev): -42.2397 -42.2397 -21.1949 -21.1949 -20.6944 -20.6944 -20.6802 -20.6802 -4.7846 -4.7846 -4.7202 -4.7202 -4.3509 -4.3509 -4.2709 -4.2709 -2.4601 -2.4601 -2.4094 -2.4094 -2.3732 -2.3732 2.3848 2.3848 3.7267 3.7267 4.3027 4.3027 4.7086 4.7086 5.1681 5.1681 5.2864 5.2864 6.0703 6.0703 9.0388 9.0388 9.4657 9.4657 9.8831 9.8831 10.0530 10.0530 k = 0.5000-0.6527-1.0193 ( 4318 PWs) bands (ev): -42.2397 -42.2397 -21.1950 -21.1950 -20.6941 -20.6941 -20.6807 -20.6807 -4.7797 -4.7797 -4.7249 -4.7249 -4.3443 -4.3443 -4.2710 -4.2710 -2.4569 -2.4569 -2.4103 -2.4103 -2.3749 -2.3749 2.3902 2.3902 3.7770 3.7770 4.2498 4.2498 4.7102 4.7102 5.1655 5.1655 5.2826 5.2826 6.0330 6.0330 9.0443 9.0443 9.4961 9.4961 9.8463 9.8463 10.0540 10.0540 k = 0.5000-0.6395-1.0412 ( 4304 PWs) bands (ev): -42.2397 -42.2397 -21.1950 -21.1950 -20.6939 -20.6939 -20.6811 -20.6811 -4.7748 -4.7748 -4.7295 -4.7295 -4.3386 -4.3386 -4.2710 -4.2710 -2.4540 -2.4540 -2.4109 -2.4109 -2.3764 -2.3764 2.3943 2.3943 3.8289 3.8289 4.1955 4.1955 4.7094 4.7094 5.1679 5.1679 5.2827 5.2827 5.9980 5.9980 9.0460 9.0460 9.5252 9.5252 9.8085 9.8085 10.0572 10.0572 k = 0.5000-0.6263-1.0631 ( 4310 PWs) bands (ev): -42.2396 -42.2396 -21.1951 -21.1951 -20.6937 -20.6937 -20.6815 -20.6815 -4.7700 -4.7700 -4.7342 -4.7342 -4.3339 -4.3339 -4.2709 -4.2709 -2.4516 -2.4516 -2.4115 -2.4115 -2.3778 -2.3778 2.3968 2.3968 3.8823 3.8823 4.1411 4.1411 4.7068 4.7068 5.1750 5.1750 5.2858 5.2858 5.9651 5.9651 9.0441 9.0441 9.5510 9.5510 9.7726 9.7726 10.0624 10.0624 k = 0.5000-0.6131-1.0850 ( 4314 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6936 -20.6936 -20.6818 -20.6818 -4.7651 -4.7651 -4.7388 -4.7388 -4.3303 -4.3303 -4.2708 -4.2708 -2.4497 -2.4497 -2.4117 -2.4117 -2.3789 -2.3789 2.3975 2.3975 3.9368 3.9368 4.0876 4.0876 4.7027 4.7027 5.1864 5.1864 5.2912 5.2912 5.9344 5.9344 9.0389 9.0389 9.5683 9.5683 9.7445 9.7445 10.0693 10.0693 k = 0.5000-0.6000-1.1069 ( 4310 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6935 -20.6935 -20.6820 -20.6820 -4.7604 -4.7604 -4.7434 -4.7434 -4.3279 -4.3279 -4.2705 -4.2705 -2.4484 -2.4484 -2.4118 -2.4118 -2.3798 -2.3798 2.3962 2.3962 3.9908 3.9908 4.0377 4.0377 4.6982 4.6982 5.2016 5.2016 5.2980 5.2980 5.9058 5.9058 9.0309 9.0309 9.5686 9.5686 9.7339 9.7339 10.0775 10.0775 k = 0.5000-0.5868-1.1288 ( 4312 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6934 -20.6934 -20.6821 -20.6821 -4.7560 -4.7560 -4.7477 -4.7477 -4.3265 -4.3265 -4.2703 -4.2703 -2.4477 -2.4477 -2.4116 -2.4116 -2.3804 -2.3804 2.3926 2.3926 3.9830 3.9830 4.0531 4.0531 4.6939 4.6939 5.2199 5.2199 5.3057 5.3057 5.8794 5.8794 9.0207 9.0207 9.5490 9.5490 9.7444 9.7444 10.0862 10.0862 k = 0.5000-0.5736-1.1507 ( 4310 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6934 -20.6934 -20.6821 -20.6821 -4.7548 -4.7548 -4.7491 -4.7491 -4.3262 -4.3262 -4.2701 -4.2701 -2.4476 -2.4476 -2.4113 -2.4113 -2.3806 -2.3806 2.3867 2.3867 3.9375 3.9375 4.1102 4.1102 4.6908 4.6908 5.2403 5.2403 5.3138 5.3138 5.8550 5.8550 9.0091 9.0091 9.5176 9.5176 9.7687 9.7687 10.0947 10.0947 k = 0.5000-0.5604-1.1726 ( 4312 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6935 -20.6935 -20.6820 -20.6820 -4.7587 -4.7587 -4.7454 -4.7454 -4.3270 -4.3270 -4.2703 -4.2703 -2.4481 -2.4481 -2.4110 -2.4110 -2.3804 -2.3804 2.3781 2.3781 3.8946 3.8946 4.1690 4.1690 4.6896 4.6896 5.2614 5.2614 5.3228 5.3228 5.8328 5.8328 8.9966 8.9966 9.4826 9.4826 9.7994 9.7994 10.1021 10.1021 k = 0.5000-0.5472-1.1945 ( 4310 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6935 -20.6935 -20.6819 -20.6819 -4.7635 -4.7635 -4.7411 -4.7411 -4.3286 -4.3286 -4.2708 -4.2708 -2.4490 -2.4490 -2.4108 -2.4108 -2.3799 -2.3799 2.3669 2.3669 3.8554 3.8554 4.2285 4.2285 4.6911 4.6911 5.2803 5.2803 5.3343 5.3343 5.8128 5.8128 8.9840 8.9840 9.4483 9.4483 9.8327 9.8327 10.1073 10.1073 k = 0.8189-0.4669-1.0429 ( 4310 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6935 -20.6935 -20.6819 -20.6819 -4.7635 -4.7635 -4.7411 -4.7411 -4.3286 -4.3286 -4.2708 -4.2708 -2.4490 -2.4490 -2.4108 -2.4108 -2.3799 -2.3799 2.3669 2.3669 3.8554 3.8554 4.2285 4.2285 4.6911 4.6911 5.2803 5.2803 5.3343 5.3343 5.8128 5.8128 8.9840 8.9840 9.4483 9.4483 9.8327 9.8327 10.1073 10.1073 k = 0.8127-0.4553-1.0209 ( 4294 PWs) bands (ev): -42.2396 -42.2396 -21.1951 -21.1951 -20.6935 -20.6935 -20.6816 -20.6816 -4.7684 -4.7684 -4.7367 -4.7367 -4.3312 -4.3312 -4.2719 -4.2719 -2.4502 -2.4502 -2.4108 -2.4108 -2.3790 -2.3790 2.3530 2.3530 3.8205 3.8205 4.2887 4.2887 4.6958 4.6958 5.2932 5.2932 5.3509 5.3509 5.7953 5.7953 8.9721 8.9721 9.4169 9.4169 9.8664 9.8664 10.1095 10.1095 k = 0.8064-0.4437-0.9990 ( 4292 PWs) bands (ev): -42.2397 -42.2397 -21.1950 -21.1950 -20.6936 -20.6936 -20.6813 -20.6813 -4.7735 -4.7735 -4.7325 -4.7325 -4.3345 -4.3345 -4.2736 -4.2736 -2.4518 -2.4518 -2.4110 -2.4110 -2.3778 -2.3778 2.3364 2.3364 3.7900 3.7900 4.3491 4.3491 4.7042 4.7042 5.2986 5.2986 5.3730 5.3730 5.7806 5.7806 8.9615 8.9615 9.3895 9.3895 9.8990 9.8990 10.1084 10.1084 k = 0.8002-0.4320-0.9771 ( 4296 PWs) bands (ev): -42.2397 -42.2397 -21.1949 -21.1949 -20.6937 -20.6937 -20.6810 -20.6810 -4.7788 -4.7788 -4.7284 -4.7284 -4.3387 -4.3387 -4.2760 -4.2760 -2.4536 -2.4536 -2.4114 -2.4114 -2.3764 -2.3764 2.3170 2.3170 3.7643 3.7643 4.4096 4.4096 4.7165 4.7165 5.2981 5.2981 5.3978 5.3978 5.7694 5.7694 8.9530 8.9530 9.3670 9.3670 9.9289 9.9289 10.1044 10.1044 k = 0.7939-0.4204-0.9551 ( 4296 PWs) bands (ev): -42.2397 -42.2397 -21.1947 -21.1947 -20.6937 -20.6937 -20.6807 -20.6807 -4.7843 -4.7843 -4.7244 -4.7244 -4.3436 -4.3436 -4.2791 -4.2791 -2.4556 -2.4556 -2.4120 -2.4120 -2.3750 -2.3750 2.2951 2.2951 3.7436 3.7436 4.4698 4.4698 4.7329 4.7329 5.2931 5.2931 5.4224 5.4224 5.7627 5.7627 8.9471 8.9471 9.3497 9.3497 9.9537 9.9537 10.0991 10.0991 k = 0.7877-0.4088-0.9332 ( 4302 PWs) bands (ev): -42.2397 -42.2397 -21.1946 -21.1946 -20.6937 -20.6937 -20.6803 -20.6803 -4.7900 -4.7900 -4.7206 -4.7206 -4.3492 -4.3492 -4.2830 -4.2830 -2.4578 -2.4578 -2.4127 -2.4127 -2.3735 -2.3735 2.2707 2.2707 3.7280 3.7280 4.5296 4.5296 4.7536 4.7536 5.2843 5.2843 5.4444 5.4444 5.7618 5.7618 8.9446 8.9446 9.3377 9.3377 9.9703 9.9703 10.0957 10.0957 k = 0.7814-0.3972-0.9113 ( 4294 PWs) bands (ev): -42.2398 -42.2398 -21.1944 -21.1944 -20.6937 -20.6937 -20.6799 -20.6799 -4.7958 -4.7958 -4.7170 -4.7170 -4.3556 -4.3556 -4.2877 -4.2877 -2.4600 -2.4600 -2.4134 -2.4134 -2.3721 -2.3721 2.2441 2.2441 3.7177 3.7177 4.5886 4.5886 4.7785 4.7785 5.2721 5.2721 5.4617 5.4617 5.7683 5.7683 8.9459 8.9459 9.3309 9.3309 9.9758 9.9758 10.0971 10.0971 k = 0.7752-0.3855-0.8893 ( 4304 PWs) bands (ev): -42.2398 -42.2398 -21.1942 -21.1942 -20.6936 -20.6936 -20.6794 -20.6794 -4.8019 -4.8019 -4.7135 -4.7135 -4.3627 -4.3627 -4.2932 -4.2932 -2.4624 -2.4624 -2.4142 -2.4142 -2.3709 -2.3709 2.2155 2.2155 3.7127 3.7127 4.6464 4.6464 4.8074 4.8074 5.2569 5.2569 5.4729 5.4729 5.7833 5.7833 8.9515 8.9515 9.3289 9.3289 9.9710 9.9710 10.1026 10.1026 k = 0.7689-0.3739-0.8674 ( 4306 PWs) bands (ev): -42.2399 -42.2399 -21.1939 -21.1939 -20.6935 -20.6935 -20.6790 -20.6790 -4.8083 -4.8083 -4.7103 -4.7103 -4.3705 -4.3705 -4.2994 -4.2994 -2.4648 -2.4648 -2.4150 -2.4150 -2.3698 -2.3698 2.1850 2.1850 3.7130 3.7130 4.7027 4.7027 4.8402 4.8402 5.2392 5.2392 5.4776 5.4776 5.8069 5.8069 8.9618 8.9618 9.3312 9.3312 9.9601 9.9601 10.1081 10.1081 k = 0.7626-0.3623-0.8455 ( 4300 PWs) bands (ev): -42.2399 -42.2399 -21.1936 -21.1936 -20.6933 -20.6933 -20.6785 -20.6785 -4.8150 -4.8150 -4.7071 -4.7071 -4.3790 -4.3790 -4.3063 -4.3063 -2.4673 -2.4673 -2.4159 -2.4159 -2.3690 -2.3690 2.1530 2.1530 3.7187 3.7187 4.7567 4.7567 4.8766 4.8766 5.2197 5.2197 5.4766 5.4766 5.8384 5.8384 8.9769 8.9769 9.3373 9.3373 9.9473 9.9473 10.1096 10.1096 k = 0.7564-0.3507-0.8235 ( 4298 PWs) bands (ev): -42.2400 -42.2400 -21.1933 -21.1933 -20.6931 -20.6931 -20.6780 -20.6780 -4.8220 -4.8220 -4.7042 -4.7042 -4.3883 -4.3883 -4.3138 -4.3138 -2.4698 -2.4698 -2.4167 -2.4167 -2.3684 -2.3684 2.1196 2.1196 3.7298 3.7298 4.8074 4.8074 4.9163 4.9163 5.1997 5.1997 5.4710 5.4710 5.8766 5.8766 8.9970 8.9970 9.3464 9.3464 9.9356 9.9356 10.1058 10.1058 k = 0.7501-0.3390-0.8016 ( 4296 PWs) bands (ev): -42.2401 -42.2401 -21.1930 -21.1930 -20.6928 -20.6928 -20.6775 -20.6775 -4.8293 -4.8293 -4.7015 -4.7015 -4.3983 -4.3983 -4.3218 -4.3218 -2.4723 -2.4723 -2.4175 -2.4175 -2.3680 -2.3680 2.0852 2.0852 3.7461 3.7461 4.8527 4.8527 4.9588 4.9588 5.1811 5.1811 5.4625 5.4625 5.9200 5.9200 9.0220 9.0220 9.3577 9.3577 9.9269 9.9269 10.0973 10.0973 k = 0.7439-0.3274-0.7797 ( 4292 PWs) bands (ev): -42.2402 -42.2402 -21.1926 -21.1926 -20.6925 -20.6925 -20.6770 -20.6770 -4.8371 -4.8371 -4.6990 -4.6990 -4.4090 -4.4090 -4.3303 -4.3303 -2.4749 -2.4749 -2.4182 -2.4182 -2.3679 -2.3679 2.0500 2.0500 3.7676 3.7676 4.8892 4.8892 5.0039 5.0039 5.1678 5.1678 5.4520 5.4520 5.9676 5.9676 9.0517 9.0517 9.3707 9.3707 9.9224 9.9224 10.0859 10.0859 k = 0.7376-0.3158-0.7577 ( 4292 PWs) bands (ev): -42.2402 -42.2402 -21.1922 -21.1922 -20.6921 -20.6921 -20.6765 -20.6765 -4.8453 -4.8453 -4.6968 -4.6968 -4.4203 -4.4203 -4.3393 -4.3393 -2.4774 -2.4774 -2.4189 -2.4189 -2.3682 -2.3682 2.0143 2.0143 3.7942 3.7942 4.9116 4.9116 5.0510 5.0510 5.1650 5.1650 5.4407 5.4407 6.0186 6.0186 9.0854 9.0854 9.3851 9.3851 9.9228 9.9228 10.0730 10.0730 k = 0.7314-0.3042-0.7358 ( 4296 PWs) bands (ev): -42.2403 -42.2403 -21.1918 -21.1918 -20.6916 -20.6916 -20.6760 -20.6760 -4.8541 -4.8541 -4.6947 -4.6947 -4.4323 -4.4323 -4.3486 -4.3486 -2.4799 -2.4799 -2.4196 -2.4196 -2.3687 -2.3687 1.9781 1.9781 3.8255 3.8255 4.9160 4.9160 5.0989 5.0989 5.1780 5.1780 5.4294 5.4294 6.0724 6.0724 9.1221 9.1221 9.4011 9.4011 9.9276 9.9276 10.0604 10.0604 k = 0.7251-0.2925-0.7139 ( 4284 PWs) bands (ev): -42.2404 -42.2404 -21.1913 -21.1913 -20.6911 -20.6911 -20.6755 -20.6755 -4.8633 -4.8633 -4.6928 -4.6928 -4.4448 -4.4448 -4.3582 -4.3582 -2.4824 -2.4824 -2.4202 -2.4202 -2.3694 -2.3694 1.9418 1.9418 3.8613 3.8613 4.9037 4.9037 5.1445 5.1445 5.2083 5.2083 5.4189 5.4189 6.1287 6.1287 9.1604 9.1604 9.4196 9.4196 9.9350 9.9350 10.0506 10.0506 k = 0.7189-0.2809-0.6919 ( 4282 PWs) bands (ev): -42.2405 -42.2405 -21.1908 -21.1908 -20.6906 -20.6906 -20.6750 -20.6750 -4.8731 -4.8731 -4.6911 -4.6911 -4.4578 -4.4578 -4.3679 -4.3679 -2.4848 -2.4848 -2.4208 -2.4208 -2.3705 -2.3705 1.9056 1.9056 3.9011 3.9011 4.8799 4.8799 5.1844 5.1844 5.2534 5.2534 5.4103 5.4103 6.1871 6.1871 9.1979 9.1979 9.4427 9.4427 9.9408 9.9408 10.0478 10.0478 k = 0.7126-0.2693-0.6700 ( 4282 PWs) bands (ev): -42.2406 -42.2406 -21.1903 -21.1903 -20.6900 -20.6900 -20.6744 -20.6744 -4.8836 -4.8836 -4.6897 -4.6897 -4.4711 -4.4711 -4.3779 -4.3779 -2.4872 -2.4872 -2.4214 -2.4214 -2.3718 -2.3718 1.8696 1.8696 3.9445 3.9445 4.8499 4.8499 5.2184 5.2184 5.3078 5.3078 5.4052 5.4052 6.2474 6.2474 9.2317 9.2317 9.4728 9.4728 9.9396 9.9396 10.0572 10.0572 k = 0.7064-0.2577-0.6480 ( 4288 PWs) bands (ev): -42.2407 -42.2407 -21.1898 -21.1898 -20.6894 -20.6894 -20.6739 -20.6739 -4.8947 -4.8947 -4.6885 -4.6885 -4.4847 -4.4847 -4.3879 -4.3879 -2.4896 -2.4896 -2.4218 -2.4218 -2.3734 -2.3734 1.8339 1.8339 3.9905 3.9905 4.8171 4.8171 5.2464 5.2464 5.3640 5.3640 5.4081 5.4081 6.3094 6.3094 9.2594 9.2594 9.5121 9.5121 9.9300 9.9300 10.0794 10.0794 k = 0.7001-0.2460-0.6261 ( 4288 PWs) bands (ev): -42.2408 -42.2408 -21.1892 -21.1892 -20.6888 -20.6888 -20.6734 -20.6734 -4.9065 -4.9065 -4.6875 -4.6875 -4.4985 -4.4985 -4.3980 -4.3980 -2.4919 -2.4919 -2.4222 -2.4222 -2.3752 -2.3752 1.7988 1.7988 4.0378 4.0378 4.7844 4.7844 5.2672 5.2672 5.3969 5.3969 5.4440 5.4440 6.3729 6.3729 9.2805 9.2805 9.5606 9.5606 9.9149 9.9149 10.1111 10.1111 k = 0.6939-0.2344-0.6042 ( 4284 PWs) bands (ev): -42.2410 -42.2410 -21.1886 -21.1886 -20.6881 -20.6881 -20.6728 -20.6728 -4.9189 -4.9189 -4.6868 -4.6868 -4.5123 -4.5123 -4.4081 -4.4081 -2.4942 -2.4942 -2.4226 -2.4226 -2.3772 -2.3772 1.7643 1.7643 4.0848 4.0848 4.7547 4.7547 5.2801 5.2801 5.4119 5.4119 5.5072 5.5072 6.4379 6.4379 9.2958 9.2958 9.6163 9.6163 9.8968 9.8968 10.1480 10.1480 k = 0.6876-0.2228-0.5822 ( 4282 PWs) bands (ev): -42.2411 -42.2411 -21.1880 -21.1880 -20.6874 -20.6874 -20.6722 -20.6722 -4.9321 -4.9321 -4.6864 -4.6864 -4.5261 -4.5261 -4.4181 -4.4181 -2.4964 -2.4964 -2.4229 -2.4229 -2.3795 -2.3795 1.7305 1.7305 4.1285 4.1285 4.7314 4.7314 5.2864 5.2864 5.4296 5.4296 5.5754 5.5754 6.5041 6.5041 9.3072 9.3072 9.6753 9.6753 9.8780 9.8780 10.1796 10.1796 k = 0.6814-0.2112-0.5603 ( 4286 PWs) bands (ev): -42.2412 -42.2412 -21.1874 -21.1874 -20.6867 -20.6867 -20.6716 -20.6716 -4.9460 -4.9460 -4.6863 -4.6863 -4.5397 -4.5397 -4.4280 -4.4280 -2.4986 -2.4986 -2.4232 -2.4232 -2.3819 -2.3819 1.6976 1.6976 4.1651 4.1651 4.7186 4.7186 5.2886 5.2886 5.4497 5.4497 5.6457 5.6457 6.5714 6.5714 9.3159 9.3159 9.7312 9.7312 9.8618 9.8618 10.1885 10.1885 k = 0.6751-0.1995-0.5384 ( 4292 PWs) bands (ev): -42.2413 -42.2413 -21.1868 -21.1868 -20.6861 -20.6861 -20.6710 -20.6710 -4.9606 -4.9606 -4.6865 -4.6865 -4.5530 -4.5530 -4.4377 -4.4377 -2.5007 -2.5007 -2.4234 -2.4234 -2.3844 -2.3844 1.6656 1.6656 4.1901 4.1901 4.7211 4.7211 5.2890 5.2890 5.4705 5.4705 5.7175 5.7175 6.6398 6.6398 9.3232 9.3232 9.7699 9.7699 9.8582 9.8582 10.1898 10.1898 k = 0.6688-0.1879-0.5164 ( 4304 PWs) bands (ev): -42.2414 -42.2414 -21.1862 -21.1862 -20.6854 -20.6854 -20.6703 -20.6703 -4.9758 -4.9758 -4.6870 -4.6870 -4.5659 -4.5659 -4.4473 -4.4473 -2.5028 -2.5028 -2.4236 -2.4236 -2.3871 -2.3871 1.6345 1.6345 4.2000 4.2000 4.7426 4.7426 5.2890 5.2890 5.4907 5.4907 5.7905 5.7905 6.7092 6.7092 9.3297 9.3297 9.7734 9.7734 9.8802 9.8802 10.1961 10.1961 k = 0.6626-0.1763-0.4945 ( 4304 PWs) bands (ev): -42.2416 -42.2416 -21.1856 -21.1856 -20.6847 -20.6847 -20.6696 -20.6696 -4.9917 -4.9917 -4.6880 -4.6880 -4.5783 -4.5783 -4.4566 -4.4566 -2.5048 -2.5048 -2.4237 -2.4237 -2.3898 -2.3898 1.6045 1.6045 4.1945 4.1945 4.7835 4.7835 5.2894 5.2894 5.5096 5.5096 5.8643 5.8643 6.7793 6.7793 9.3357 9.3357 9.7565 9.7565 9.9077 9.9077 10.2125 10.2125 k = 0.6563-0.1647-0.4726 ( 4306 PWs) bands (ev): -42.2417 -42.2417 -21.1850 -21.1850 -20.6840 -20.6840 -20.6689 -20.6689 -5.0081 -5.0081 -4.6894 -4.6894 -4.5900 -4.5900 -4.4656 -4.4656 -2.5068 -2.5068 -2.4238 -2.4238 -2.3926 -2.3926 1.5756 1.5756 4.1760 4.1760 4.8413 4.8413 5.2906 5.2906 5.5269 5.5269 5.9388 5.9388 6.8502 6.8502 9.3415 9.3415 9.7336 9.7336 9.9243 9.9243 10.2402 10.2402 k = 0.6501-0.1530-0.4506 ( 4314 PWs) bands (ev): -42.2418 -42.2418 -21.1843 -21.1843 -20.6834 -20.6834 -20.6682 -20.6682 -5.0250 -5.0250 -4.6914 -4.6914 -4.6011 -4.6011 -4.4743 -4.4743 -2.5088 -2.5088 -2.4240 -2.4240 -2.3953 -2.3953 1.5478 1.5478 4.1482 4.1482 4.9123 4.9123 5.2931 5.2931 5.5425 5.5425 6.0136 6.0136 6.9215 6.9215 9.3470 9.3470 9.7085 9.7085 9.9281 9.9281 10.2770 10.2770 k = 0.6438-0.1414-0.4287 ( 4314 PWs) bands (ev): -42.2420 -42.2420 -21.1837 -21.1837 -20.6828 -20.6828 -20.6674 -20.6674 -5.0422 -5.0422 -4.6939 -4.6939 -4.6113 -4.6113 -4.4826 -4.4826 -2.5107 -2.5107 -2.4241 -2.4241 -2.3980 -2.3980 1.5212 1.5212 4.1144 4.1144 4.9930 4.9930 5.2971 5.2971 5.5566 5.5566 6.0886 6.0886 6.9933 6.9933 9.3523 9.3523 9.6822 9.6822 9.9223 9.9223 10.3186 10.3186 k = 0.6376-0.1298-0.4068 ( 4312 PWs) bands (ev): -42.2421 -42.2421 -21.1831 -21.1831 -20.6822 -20.6822 -20.6665 -20.6665 -5.0597 -5.0597 -4.6972 -4.6972 -4.6206 -4.6206 -4.4904 -4.4904 -2.5126 -2.5126 -2.4243 -2.4243 -2.4006 -2.4006 1.4958 1.4958 4.0768 4.0768 5.0804 5.0804 5.3032 5.3032 5.5692 5.5692 6.1634 6.1634 7.0654 7.0654 9.3573 9.3573 9.6553 9.6553 9.9102 9.9102 10.3620 10.3620 k = 0.6313-0.1182-0.3848 ( 4318 PWs) bands (ev): -42.2422 -42.2422 -21.1825 -21.1825 -20.6817 -20.6817 -20.6657 -20.6657 -5.0774 -5.0774 -4.7013 -4.7013 -4.6289 -4.6289 -4.4979 -4.4979 -2.5144 -2.5144 -2.4247 -2.4247 -2.4030 -2.4030 1.4715 1.4715 4.0371 4.0371 5.1709 5.1709 5.3127 5.3127 5.5809 5.5809 6.2380 6.2380 7.1375 7.1375 9.3618 9.3618 9.6280 9.6280 9.8943 9.8943 10.4051 10.4051 k = 0.6251-0.1065-0.3629 ( 4324 PWs) bands (ev): -42.2423 -42.2423 -21.1819 -21.1819 -20.6812 -20.6812 -20.6648 -20.6648 -5.0952 -5.0952 -4.7061 -4.7061 -4.6362 -4.6362 -4.5049 -4.5049 -2.5163 -2.5163 -2.4251 -2.4251 -2.4052 -2.4052 1.4484 1.4484 3.9964 3.9964 5.2540 5.2540 5.3341 5.3341 5.5926 5.5926 6.3119 6.3119 7.2095 7.2095 9.3657 9.3657 9.6005 9.6005 9.8762 9.8762 10.4471 10.4471 k = 0.6188-0.0949-0.3410 ( 4320 PWs) bands (ev): -42.2425 -42.2425 -21.1812 -21.1812 -20.6808 -20.6808 -20.6639 -20.6639 -5.1129 -5.1129 -4.7117 -4.7117 -4.6423 -4.6423 -4.5114 -4.5114 -2.5181 -2.5181 -2.4258 -2.4258 -2.4070 -2.4070 1.4266 1.4266 3.9556 3.9556 5.2988 5.2988 5.3952 5.3952 5.6068 5.6068 6.3851 6.3851 7.2812 7.2812 9.3688 9.3688 9.5730 9.5730 9.8567 9.8567 10.4874 10.4874 k = 0.6126-0.0833-0.3190 ( 4326 PWs) bands (ev): -42.2426 -42.2426 -21.1807 -21.1807 -20.6804 -20.6804 -20.6629 -20.6629 -5.1305 -5.1305 -4.7180 -4.7180 -4.6475 -4.6475 -4.5175 -4.5175 -2.5199 -2.5199 -2.4268 -2.4268 -2.4084 -2.4084 1.4060 1.4060 3.9152 3.9152 5.3160 5.3160 5.4770 5.4770 5.6307 5.6307 6.4572 6.4572 7.3523 7.3523 9.3711 9.3711 9.5455 9.5455 9.8366 9.8366 10.5254 10.5254 k = 0.6063-0.0717-0.2971 ( 4326 PWs) bands (ev): -42.2427 -42.2427 -21.1801 -21.1801 -20.6800 -20.6800 -20.6620 -20.6620 -5.1477 -5.1477 -4.7247 -4.7247 -4.6519 -4.6519 -4.5231 -4.5231 -2.5217 -2.5217 -2.4280 -2.4280 -2.4095 -2.4095 1.3865 1.3865 3.8756 3.8756 5.3282 5.3282 5.5378 5.5378 5.6832 5.6832 6.5280 6.5280 7.4226 7.4226 9.3724 9.3724 9.5184 9.5184 9.8163 9.8163 10.5609 10.5609 k = 0.6001-0.0600-0.2752 ( 4324 PWs) bands (ev): -42.2428 -42.2428 -21.1795 -21.1795 -20.6797 -20.6797 -20.6611 -20.6611 -5.1646 -5.1646 -4.7318 -4.7318 -4.6556 -4.6556 -4.5282 -4.5282 -2.5235 -2.5235 -2.4294 -2.4294 -2.4101 -2.4101 1.3683 1.3683 3.8372 3.8372 5.3394 5.3394 5.5659 5.5659 5.7711 5.7711 6.5973 6.5973 7.4917 7.4917 9.3726 9.3726 9.4916 9.4916 9.7961 9.7961 10.5931 10.5931 k = 0.5938-0.0484-0.2532 ( 4326 PWs) bands (ev): -42.2429 -42.2429 -21.1790 -21.1790 -20.6794 -20.6794 -20.6601 -20.6601 -5.1810 -5.1810 -4.7390 -4.7390 -4.6588 -4.6588 -4.5329 -4.5329 -2.5252 -2.5252 -2.4311 -2.4311 -2.4105 -2.4105 1.3512 1.3512 3.8003 3.8003 5.3505 5.3505 5.5782 5.5782 5.8761 5.8761 6.6648 6.6648 7.5594 7.5594 9.3716 9.3716 9.4654 9.4654 9.7763 9.7763 10.6214 10.6214 k = 0.5875-0.0368-0.2313 ( 4330 PWs) bands (ev): -42.2430 -42.2430 -21.1785 -21.1785 -20.6791 -20.6791 -20.6592 -20.6592 -5.1969 -5.1969 -4.7463 -4.7463 -4.6616 -4.6616 -4.5372 -4.5372 -2.5270 -2.5270 -2.4328 -2.4328 -2.4106 -2.4106 1.3353 1.3353 3.7650 3.7650 5.3614 5.3614 5.5850 5.5850 5.9873 5.9873 6.7303 6.7303 7.6253 7.6253 9.3693 9.3693 9.4400 9.4400 9.7571 9.7571 10.6447 10.6447 k = 0.5813-0.0252-0.2094 ( 4336 PWs) bands (ev): -42.2431 -42.2431 -21.1780 -21.1780 -20.6789 -20.6789 -20.6583 -20.6583 -5.2120 -5.2120 -4.7534 -4.7534 -4.6640 -4.6640 -4.5410 -4.5410 -2.5287 -2.5287 -2.4345 -2.4345 -2.4105 -2.4105 1.3206 1.3206 3.7315 3.7315 5.3721 5.3721 5.5893 5.5893 6.1009 6.1009 6.7938 6.7938 7.6890 7.6890 9.3657 9.3657 9.4154 9.4154 9.7386 9.7386 10.6617 10.6617 k = 0.5750-0.0135-0.1874 ( 4338 PWs) bands (ev): -42.2432 -42.2432 -21.1776 -21.1776 -20.6787 -20.6787 -20.6575 -20.6575 -5.2264 -5.2264 -4.7603 -4.7603 -4.6661 -4.6661 -4.5445 -4.5445 -2.5303 -2.5303 -2.4362 -2.4362 -2.4103 -2.4103 1.3071 1.3071 3.6999 3.6999 5.3826 5.3826 5.5925 5.5925 6.2148 6.2148 6.8549 6.8549 7.7502 7.7502 9.3606 9.3606 9.3918 9.3918 9.7207 9.7207 10.6706 10.6706 k = 0.5688-0.0019-0.1655 ( 4338 PWs) bands (ev): -42.2433 -42.2433 -21.1772 -21.1772 -20.6785 -20.6785 -20.6566 -20.6566 -5.2399 -5.2399 -4.7669 -4.7669 -4.6680 -4.6680 -4.5475 -4.5475 -2.5318 -2.5318 -2.4378 -2.4378 -2.4100 -2.4100 1.2947 1.2947 3.6705 3.6705 5.3925 5.3925 5.5953 5.5953 6.3276 6.3276 6.9137 6.9137 7.8084 7.8084 9.3538 9.3538 9.3697 9.3697 9.7036 9.7036 10.6694 10.6694 k = 0.5625 0.0097-0.1435 ( 4338 PWs) bands (ev): -42.2434 -42.2434 -21.1768 -21.1768 -20.6783 -20.6783 -20.6559 -20.6559 -5.2524 -5.2524 -4.7731 -4.7731 -4.6696 -4.6696 -4.5502 -4.5502 -2.5333 -2.5333 -2.4393 -2.4393 -2.4097 -2.4097 1.2834 1.2834 3.6434 3.6434 5.4017 5.4017 5.5978 5.5978 6.4377 6.4377 6.9702 6.9702 7.8633 7.8633 9.3438 9.3438 9.3507 9.3507 9.6873 9.6873 10.6562 10.6562 k = 0.5563 0.0213-0.1216 ( 4348 PWs) bands (ev): -42.2435 -42.2435 -21.1765 -21.1765 -20.6782 -20.6782 -20.6552 -20.6552 -5.2640 -5.2640 -4.7789 -4.7789 -4.6712 -4.6712 -4.5526 -4.5526 -2.5347 -2.5347 -2.4408 -2.4408 -2.4093 -2.4093 1.2732 1.2732 3.6185 3.6185 5.4100 5.4100 5.6003 5.6003 6.5437 6.5437 7.0244 7.0244 7.9144 7.9144 9.3271 9.3271 9.3384 9.3384 9.6717 9.6717 10.6299 10.6299 k = 0.5500 0.0330-0.0997 ( 4350 PWs) bands (ev): -42.2436 -42.2436 -21.1761 -21.1761 -20.6781 -20.6781 -20.6545 -20.6545 -5.2746 -5.2746 -4.7842 -4.7842 -4.6725 -4.6725 -4.5547 -4.5547 -2.5360 -2.5360 -2.4420 -2.4420 -2.4089 -2.4089 1.2642 1.2642 3.5961 3.5961 5.4174 5.4174 5.6030 5.6030 6.6437 6.6437 7.0767 7.0767 7.9614 7.9614 9.3095 9.3095 9.3270 9.3270 9.6569 9.6569 10.5916 10.5916 k = 0.5438 0.0446-0.0777 ( 4350 PWs) bands (ev): -42.2436 -42.2436 -21.1758 -21.1758 -20.6780 -20.6780 -20.6539 -20.6539 -5.2840 -5.2840 -4.7890 -4.7890 -4.6737 -4.6737 -4.5565 -4.5565 -2.5372 -2.5372 -2.4432 -2.4432 -2.4086 -2.4086 1.2562 1.2562 3.5761 3.5761 5.4238 5.4238 5.6058 5.6058 6.7357 6.7357 7.1272 7.1272 8.0039 8.0039 9.2934 9.2934 9.3146 9.3146 9.6430 9.6430 10.5443 10.5443 k = 0.5375 0.0562-0.0558 ( 4356 PWs) bands (ev): -42.2437 -42.2437 -21.1756 -21.1756 -20.6779 -20.6779 -20.6534 -20.6534 -5.2922 -5.2922 -4.7932 -4.7932 -4.6747 -4.6747 -4.5580 -4.5580 -2.5382 -2.5382 -2.4442 -2.4442 -2.4082 -2.4082 1.2494 1.2494 3.5587 3.5587 5.4291 5.4291 5.6086 5.6086 6.8175 6.8175 7.1761 7.1761 8.0416 8.0416 9.2790 9.2790 9.3010 9.3010 9.6299 9.6299 10.4926 10.4926 k = 0.5313 0.0678-0.0339 ( 4362 PWs) bands (ev): -42.2437 -42.2437 -21.1754 -21.1754 -20.6779 -20.6779 -20.6529 -20.6529 -5.2993 -5.2993 -4.7968 -4.7968 -4.6756 -4.6756 -4.5593 -4.5593 -2.5391 -2.5391 -2.4450 -2.4450 -2.4079 -2.4079 1.2436 1.2436 3.5439 3.5439 5.4334 5.4334 5.6113 5.6113 6.8873 6.8873 7.2231 7.2231 8.0742 8.0742 9.2666 9.2666 9.2866 9.2866 9.6181 9.6181 10.4414 10.4414 k = 0.5250 0.0795-0.0119 ( 4368 PWs) bands (ev): -42.2438 -42.2438 -21.1752 -21.1752 -20.6778 -20.6778 -20.6526 -20.6526 -5.3051 -5.3051 -4.7997 -4.7997 -4.6763 -4.6763 -4.5603 -4.5603 -2.5399 -2.5399 -2.4457 -2.4457 -2.4077 -2.4077 1.2388 1.2388 3.5317 3.5317 5.4368 5.4368 5.6139 5.6139 6.9437 6.9437 7.2672 7.2672 8.1015 8.1015 9.2562 9.2562 9.2723 9.2723 9.6076 9.6076 10.3947 10.3947 k = 0.5188 0.0911 0.0100 ( 4364 PWs) bands (ev): -42.2438 -42.2438 -21.1751 -21.1751 -20.6778 -20.6778 -20.6523 -20.6523 -5.3097 -5.3097 -4.8021 -4.8021 -4.6768 -4.6768 -4.5611 -4.5611 -2.5405 -2.5405 -2.4462 -2.4462 -2.4074 -2.4074 1.2352 1.2352 3.5222 3.5222 5.4393 5.4393 5.6161 5.6161 6.9865 6.9865 7.3060 7.3060 8.1232 8.1232 9.2478 9.2478 9.2592 9.2592 9.5990 9.5990 10.3556 10.3556 k = 0.5125 0.1027 0.0319 ( 4360 PWs) bands (ev): -42.2438 -42.2438 -21.1750 -21.1750 -20.6777 -20.6777 -20.6520 -20.6520 -5.3130 -5.3130 -4.8038 -4.8038 -4.6772 -4.6772 -4.5616 -4.5616 -2.5409 -2.5409 -2.4466 -2.4466 -2.4073 -2.4073 1.2325 1.2325 3.5153 3.5153 5.4410 5.4410 5.6178 5.6178 7.0161 7.0161 7.3368 7.3368 8.1389 8.1389 9.2412 9.2412 9.2489 9.2489 9.5925 9.5925 10.3265 10.3265 k = 0.5063 0.1143 0.0539 ( 4358 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3149 -5.3149 -4.8048 -4.8048 -4.6774 -4.6774 -4.5619 -4.5619 -2.5412 -2.5412 -2.4468 -2.4468 -2.4072 -2.4072 1.2310 1.2310 3.5112 3.5112 5.4420 5.4420 5.6189 5.6189 7.0335 7.0335 7.3566 7.3566 8.1485 8.1485 9.2363 9.2363 9.2430 9.2430 9.5885 9.5885 10.3085 10.3085 k = 0.5000 0.1260 0.0758 ( 4372 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3156 -5.3156 -4.8051 -4.8051 -4.6775 -4.6775 -4.5620 -4.5620 -2.5413 -2.5413 -2.4469 -2.4469 -2.4072 -2.4072 1.2304 1.2304 3.5099 3.5099 5.4423 5.4423 5.6192 5.6192 7.0392 7.0392 7.3635 7.3635 8.1517 8.1517 9.2343 9.2343 9.2412 9.2412 9.5871 9.5871 10.3024 10.3024 k = 0.5000 0.1260 0.0758 ( 4372 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3156 -5.3156 -4.8051 -4.8051 -4.6775 -4.6775 -4.5620 -4.5620 -2.5413 -2.5413 -2.4469 -2.4469 -2.4072 -2.4072 1.2304 1.2304 3.5099 3.5099 5.4423 5.4423 5.6192 5.6192 7.0392 7.0392 7.3635 7.3635 8.1517 8.1517 9.2343 9.2343 9.2412 9.2412 9.5871 9.5871 10.3024 10.3024 k = 0.4762 0.1200 0.0722 ( 4366 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3164 -5.3164 -4.8039 -4.8039 -4.6775 -4.6775 -4.5621 -4.5621 -2.5413 -2.5413 -2.4469 -2.4469 -2.4071 -2.4071 1.2268 1.2268 3.5169 3.5169 5.4425 5.4425 5.6194 5.6194 7.0384 7.0384 7.3631 7.3631 8.1388 8.1388 9.2344 9.2344 9.2412 9.2412 9.5886 9.5886 10.3116 10.3116 k = 0.4524 0.1140 0.0686 ( 4366 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3189 -5.3189 -4.8005 -4.8005 -4.6775 -4.6775 -4.5622 -4.5622 -2.5413 -2.5413 -2.4469 -2.4469 -2.4072 -2.4072 1.2162 1.2162 3.5377 3.5377 5.4431 5.4431 5.6198 5.6198 7.0361 7.0361 7.3620 7.3620 8.1013 8.1013 9.2346 9.2346 9.2413 9.2413 9.5927 9.5927 10.3384 10.3384 k = 0.4286 0.1080 0.0650 ( 4360 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3230 -5.3230 -4.7948 -4.7948 -4.6775 -4.6775 -4.5623 -4.5623 -2.5412 -2.5412 -2.4469 -2.4469 -2.4072 -2.4072 1.1991 1.1991 3.5719 3.5719 5.4441 5.4441 5.6206 5.6206 7.0321 7.0321 7.3602 7.3602 8.0415 8.0415 9.2350 9.2350 9.2415 9.2415 9.5985 9.5985 10.3810 10.3810 k = 0.4048 0.1020 0.0614 ( 4351 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3284 -5.3284 -4.7871 -4.7871 -4.6775 -4.6775 -4.5625 -4.5625 -2.5412 -2.5412 -2.4469 -2.4469 -2.4071 -2.4071 1.1762 1.1762 3.6187 3.6187 5.4455 5.4455 5.6217 5.6217 7.0264 7.0264 7.3578 7.3578 7.9631 7.9631 9.2355 9.2355 9.2418 9.2418 9.6053 9.6053 10.4363 10.4363 k = 0.3810 0.0960 0.0577 ( 4350 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3350 -5.3350 -4.7778 -4.7778 -4.6775 -4.6775 -4.5629 -4.5629 -2.5412 -2.5412 -2.4469 -2.4469 -2.4071 -2.4071 1.1485 1.1485 3.6771 3.6771 5.4472 5.4472 5.6230 5.6230 7.0188 7.0188 7.3547 7.3547 7.8698 7.8698 9.2360 9.2360 9.2421 9.2421 9.6124 9.6124 10.5009 10.5009 k = 0.3571 0.0900 0.0541 ( 4347 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3424 -5.3424 -4.7670 -4.7670 -4.6775 -4.6775 -4.5632 -4.5632 -2.5413 -2.5413 -2.4469 -2.4469 -2.4071 -2.4071 1.1171 1.1171 3.7462 3.7462 5.4492 5.4492 5.6245 5.6245 7.0088 7.0088 7.3511 7.3511 7.7653 7.7653 9.2367 9.2367 9.2425 9.2425 9.6193 9.6193 10.5712 10.5712 k = 0.3333 0.0840 0.0505 ( 4347 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3505 -5.3505 -4.7550 -4.7550 -4.6775 -4.6775 -4.5638 -4.5638 -2.5413 -2.5413 -2.4469 -2.4469 -2.4071 -2.4071 1.0828 1.0828 3.8248 3.8248 5.4515 5.4515 5.6262 5.6262 6.9957 6.9957 7.3470 7.3470 7.6534 7.6534 9.2374 9.2374 9.2429 9.2429 9.6258 9.6258 10.6439 10.6439 k = 0.3095 0.0780 0.0469 ( 4329 PWs) bands (ev): -42.2438 -42.2438 -21.1748 -21.1748 -20.6776 -20.6776 -20.6518 -20.6518 -5.3590 -5.3590 -4.7423 -4.7423 -4.6774 -4.6774 -4.5643 -4.5643 -2.5412 -2.5412 -2.4469 -2.4469 -2.4071 -2.4071 1.0469 1.0469 3.9121 3.9121 5.4541 5.4541 5.6281 5.6281 6.9781 6.9781 7.3426 7.3426 7.5377 7.5377 9.2382 9.2382 9.2434 9.2434 9.6319 9.6319 10.7160 10.7160 k = 0.2857 0.0720 0.0433 ( 4326 PWs) bands (ev): -42.2438 -42.2438 -21.1748 -21.1748 -20.6776 -20.6776 -20.6518 -20.6518 -5.3677 -5.3677 -4.7290 -4.7290 -4.6774 -4.6774 -4.5651 -4.5651 -2.5412 -2.5412 -2.4469 -2.4469 -2.4071 -2.4071 1.0103 1.0103 4.0069 4.0069 5.4568 5.4568 5.6302 5.6302 6.9531 6.9531 7.3379 7.3379 7.4230 7.4230 9.2390 9.2390 9.2438 9.2438 9.6377 9.6377 10.7854 10.7854 k = 0.2619 0.0660 0.0397 ( 4320 PWs) bands (ev): -42.2438 -42.2438 -21.1748 -21.1748 -20.6776 -20.6776 -20.6518 -20.6518 -5.3764 -5.3764 -4.7154 -4.7154 -4.6774 -4.6774 -4.5659 -4.5659 -2.5412 -2.5412 -2.4469 -2.4469 -2.4071 -2.4071 0.9737 0.9737 4.1085 4.1085 5.4596 5.4596 5.6323 5.6323 6.9158 6.9158 7.3160 7.3160 7.3331 7.3331 9.2398 9.2398 9.2443 9.2443 9.6430 9.6430 10.8504 10.8504 k = 0.2381 0.0600 0.0361 ( 4323 PWs) bands (ev): -42.2438 -42.2438 -21.1748 -21.1748 -20.6776 -20.6776 -20.6518 -20.6518 -5.3848 -5.3848 -4.7019 -4.7019 -4.6774 -4.6774 -4.5670 -4.5670 -2.5412 -2.5412 -2.4470 -2.4470 -2.4071 -2.4071 0.9380 0.9380 4.2161 4.2161 5.4626 5.4626 5.6344 5.6344 6.8584 6.8584 7.2256 7.2256 7.3282 7.3282 9.2406 9.2406 9.2448 9.2448 9.6480 9.6480 10.9103 10.9103 k = 0.2143 0.0540 0.0325 ( 4326 PWs) bands (ev): -42.2438 -42.2438 -21.1748 -21.1748 -20.6776 -20.6776 -20.6518 -20.6518 -5.3929 -5.3929 -4.6885 -4.6885 -4.6774 -4.6774 -4.5683 -4.5683 -2.5413 -2.5413 -2.4470 -2.4470 -2.4071 -2.4071 0.9038 0.9038 4.3288 4.3288 5.4655 5.4655 5.6365 5.6365 6.7751 6.7751 7.1589 7.1589 7.3233 7.3233 9.2414 9.2414 9.2453 9.2453 9.6526 9.6526 10.9648 10.9648 k = 0.1905 0.0480 0.0289 ( 4326 PWs) bands (ev): -42.2438 -42.2438 -21.1748 -21.1748 -20.6776 -20.6776 -20.6518 -20.6518 -5.4005 -5.4005 -4.6775 -4.6775 -4.6755 -4.6755 -4.5697 -4.5697 -2.5413 -2.5413 -2.4470 -2.4470 -2.4071 -2.4071 0.8718 0.8718 4.4460 4.4460 5.4685 5.4685 5.6385 5.6385 6.6681 6.6681 7.1146 7.1146 7.3186 7.3186 9.2422 9.2422 9.2457 9.2457 9.6568 9.6568 11.0144 11.0144 k = 0.1667 0.0420 0.0253 ( 4314 PWs) bands (ev): -42.2438 -42.2438 -21.1748 -21.1748 -20.6776 -20.6776 -20.6518 -20.6518 -5.4074 -5.4074 -4.6775 -4.6775 -4.6631 -4.6631 -4.5714 -4.5714 -2.5413 -2.5413 -2.4470 -2.4470 -2.4071 -2.4071 0.8425 0.8425 4.5671 4.5671 5.4715 5.4715 5.6405 5.6405 6.5453 6.5453 7.0858 7.0858 7.3142 7.3142 9.2429 9.2429 9.2462 9.2462 9.6606 9.6606 11.0593 11.0593 k = 0.1429 0.0360 0.0217 ( 4332 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6776 -20.6776 -20.6518 -20.6518 -5.4136 -5.4136 -4.6775 -4.6775 -4.6515 -4.6515 -4.5736 -4.5736 -2.5413 -2.5413 -2.4470 -2.4470 -2.4071 -2.4071 0.8162 0.8162 4.6911 4.6911 5.4746 5.4746 5.6422 5.6422 6.4135 6.4135 7.0662 7.0662 7.3101 7.3101 9.2435 9.2435 9.2465 9.2465 9.6640 9.6640 11.1001 11.1001 k = 0.1190 0.0300 0.0180 ( 4350 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4190 -5.4190 -4.6775 -4.6775 -4.6407 -4.6407 -4.5761 -4.5761 -2.5413 -2.5413 -2.4471 -2.4471 -2.4072 -2.4072 0.7933 0.7933 4.8171 4.8171 5.4778 5.4778 5.6438 5.6438 6.2774 6.2774 7.0523 7.0523 7.3065 7.3065 9.2440 9.2440 9.2468 9.2468 9.6670 9.6670 11.1371 11.1371 k = 0.0952 0.0240 0.0144 ( 4353 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4235 -5.4235 -4.6775 -4.6775 -4.6308 -4.6308 -4.5789 -4.5789 -2.5413 -2.5413 -2.4472 -2.4472 -2.4072 -2.4072 0.7742 0.7742 4.9439 4.9439 5.4816 5.4816 5.6452 5.6452 6.1399 6.1399 7.0423 7.0423 7.3035 7.3035 9.2445 9.2445 9.2471 9.2471 9.6695 9.6695 11.1706 11.1706 k = 0.0714 0.0180 0.0108 ( 4347 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6518 -20.6518 -5.4270 -5.4270 -4.6775 -4.6775 -4.6219 -4.6219 -4.5821 -4.5821 -2.5413 -2.5413 -2.4472 -2.4472 -2.4072 -2.4072 0.7592 0.7592 5.0687 5.0687 5.4870 5.4870 5.6463 5.6463 6.0037 6.0037 7.0351 7.0351 7.3010 7.3010 9.2449 9.2449 9.2473 9.2473 9.6714 9.6714 11.2007 11.2007 k = 0.0476 0.0120 0.0072 ( 4353 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4296 -5.4296 -4.6775 -4.6775 -4.6143 -4.6143 -4.5856 -4.5856 -2.5413 -2.5413 -2.4472 -2.4472 -2.4072 -2.4072 0.7483 0.7483 5.1854 5.1854 5.4967 5.4967 5.6471 5.6471 5.8726 5.8726 7.0303 7.0303 7.2992 7.2992 9.2451 9.2451 9.2475 9.2475 9.6729 9.6729 11.2275 11.2275 k = 0.0238 0.0060 0.0036 ( 4341 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6518 -20.6518 -5.4311 -5.4311 -4.6775 -4.6775 -4.6085 -4.6085 -4.5890 -4.5890 -2.5413 -2.5413 -2.4471 -2.4471 -2.4072 -2.4072 0.7417 0.7417 5.2778 5.2778 5.5174 5.5174 5.6476 5.6476 5.7567 5.7567 7.0274 7.0274 7.2981 7.2981 9.2453 9.2453 9.2476 9.2476 9.6737 9.6737 11.2508 11.2508 k = 0.0000 0.0000 0.0000 ( 4347 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4316 -5.4316 -4.6775 -4.6775 -4.6059 -4.6059 -4.5907 -4.5907 -2.5413 -2.5413 -2.4472 -2.4472 -2.4072 -2.4072 0.7394 0.7394 5.3146 5.3146 5.5393 5.5393 5.6477 5.6477 5.6970 5.6970 7.0265 7.0265 7.2978 7.2978 9.2454 9.2454 9.2476 9.2476 9.6740 9.6740 11.2712 11.2712 k = 0.0000 0.0000 0.0000 ( 4347 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4316 -5.4316 -4.6775 -4.6775 -4.6059 -4.6059 -4.5907 -4.5907 -2.5413 -2.5413 -2.4472 -2.4472 -2.4072 -2.4072 0.7394 0.7394 5.3146 5.3146 5.5393 5.5393 5.6477 5.6477 5.6970 5.6970 7.0265 7.0265 7.2978 7.2978 9.2454 9.2454 9.2476 9.2476 9.6740 9.6740 11.2712 11.2712 k = 0.0062-0.0115-0.0217 ( 4343 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.4308 -5.4308 -4.6779 -4.6779 -4.6084 -4.6084 -4.5876 -4.5876 -2.5412 -2.5412 -2.4471 -2.4471 -2.4072 -2.4072 0.7407 0.7407 5.3124 5.3124 5.5273 5.5273 5.6245 5.6245 5.7327 5.7327 7.0234 7.0234 7.2938 7.2938 9.2469 9.2469 9.2494 9.2494 9.6768 9.6768 11.1819 11.1819 k = 0.0124-0.0230-0.0434 ( 4335 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6520 -20.6520 -5.4284 -5.4284 -4.6790 -4.6790 -4.6131 -4.6131 -4.5809 -4.5809 -2.5409 -2.5409 -2.4468 -2.4468 -2.4071 -2.4071 0.7445 0.7445 5.3053 5.3053 5.4922 5.4922 5.6049 5.6049 5.7891 5.7891 7.0141 7.0141 7.2822 7.2822 9.2503 9.2503 9.2556 9.2556 9.6850 9.6850 11.0816 11.0816 k = 0.0186-0.0345-0.0652 ( 4337 PWs) bands (ev): -42.2438 -42.2438 -21.1750 -21.1750 -20.6777 -20.6777 -20.6522 -20.6522 -5.4244 -5.4244 -4.6810 -4.6810 -4.6178 -4.6178 -4.5731 -4.5731 -2.5405 -2.5405 -2.4463 -2.4463 -2.4072 -2.4072 0.7508 0.7508 5.2918 5.2918 5.4453 5.4453 5.5967 5.5967 5.8485 5.8485 6.9987 6.9987 7.2636 7.2636 9.2551 9.2551 9.2657 9.2657 9.6989 9.6989 10.9795 10.9795 k = 0.0248-0.0460-0.0869 ( 4339 PWs) bands (ev): -42.2438 -42.2438 -21.1752 -21.1752 -20.6778 -20.6778 -20.6525 -20.6525 -5.4187 -5.4187 -4.6837 -4.6837 -4.6220 -4.6220 -4.5645 -4.5645 -2.5398 -2.5398 -2.4457 -2.4457 -2.4071 -2.4071 0.7597 0.7597 5.2690 5.2690 5.3989 5.3989 5.5929 5.5929 5.9082 5.9082 6.9775 6.9775 7.2389 7.2389 9.2618 9.2618 9.2785 9.2785 9.7184 9.7184 10.8779 10.8779 k = 0.0310-0.0575-0.1086 ( 4339 PWs) bands (ev): -42.2437 -42.2437 -21.1754 -21.1754 -20.6778 -20.6778 -20.6529 -20.6529 -5.4115 -5.4115 -4.6871 -4.6871 -4.6255 -4.6255 -4.5554 -4.5554 -2.5390 -2.5390 -2.4449 -2.4449 -2.4071 -2.4071 0.7710 0.7710 5.2337 5.2337 5.3597 5.3597 5.5909 5.5909 5.9671 5.9671 6.9510 6.9510 7.2092 7.2092 9.2703 9.2703 9.2926 9.2926 9.7433 9.7433 10.7779 10.7779 k = 0.0371-0.0691-0.1303 ( 4333 PWs) bands (ev): -42.2437 -42.2437 -21.1755 -21.1755 -20.6779 -20.6779 -20.6533 -20.6533 -5.4027 -5.4027 -4.6911 -4.6911 -4.6283 -4.6283 -4.5460 -4.5460 -2.5380 -2.5380 -2.4440 -2.4440 -2.4071 -2.4071 0.7849 0.7849 5.1866 5.1866 5.3281 5.3281 5.5898 5.5898 6.0244 6.0244 6.9198 6.9198 7.1755 7.1755 9.2804 9.2804 9.3070 9.3070 9.7735 9.7735 10.6802 10.6802 k = 0.0433-0.0806-0.1520 ( 4335 PWs) bands (ev): -42.2436 -42.2436 -21.1758 -21.1758 -20.6780 -20.6780 -20.6538 -20.6538 -5.3924 -5.3924 -4.6955 -4.6955 -4.6304 -4.6304 -4.5363 -4.5363 -2.5368 -2.5368 -2.4429 -2.4429 -2.4070 -2.4070 0.8013 0.8013 5.1320 5.1320 5.3001 5.3001 5.5892 5.5892 6.0795 6.0795 6.8847 6.8847 7.1387 7.1387 9.2922 9.2922 9.3208 9.3208 9.8080 9.8080 10.5857 10.5857 k = 0.0495-0.0921-0.1737 ( 4335 PWs) bands (ev): -42.2436 -42.2436 -21.1761 -21.1761 -20.6781 -20.6781 -20.6544 -20.6544 -5.3806 -5.3806 -4.7003 -4.7003 -4.6321 -4.6321 -4.5263 -4.5263 -2.5356 -2.5356 -2.4416 -2.4416 -2.4069 -2.4069 0.8201 0.8201 5.0738 5.0738 5.2720 5.2720 5.5891 5.5891 6.1319 6.1319 6.8470 6.8470 7.0995 7.0995 9.3055 9.3055 9.3336 9.3336 9.8459 9.8459 10.4951 10.4951 k = 0.0557-0.1036-0.1955 ( 4333 PWs) bands (ev): -42.2435 -42.2435 -21.1764 -21.1764 -20.6782 -20.6782 -20.6551 -20.6551 -5.3673 -5.3673 -4.7053 -4.7053 -4.6333 -4.6333 -4.5161 -4.5161 -2.5341 -2.5341 -2.4402 -2.4402 -2.4067 -2.4067 0.8414 0.8414 5.0141 5.0141 5.2415 5.2415 5.5894 5.5894 6.1810 6.1810 6.8077 6.8077 7.0582 7.0582 9.3199 9.3199 9.3453 9.3453 9.8860 9.8860 10.4091 10.4091 k = 0.0619-0.1151-0.2172 ( 4335 PWs) bands (ev): -42.2434 -42.2434 -21.1768 -21.1768 -20.6783 -20.6783 -20.6558 -20.6558 -5.3526 -5.3526 -4.7104 -4.7104 -4.6342 -4.6342 -4.5057 -4.5057 -2.5326 -2.5326 -2.4387 -2.4387 -2.4065 -2.4065 0.8651 0.8651 4.9541 4.9541 5.2075 5.2075 5.5900 5.5900 6.2262 6.2262 6.7682 6.7682 7.0153 7.0153 9.3352 9.3352 9.3557 9.3557 9.9268 9.9268 10.3286 10.3286 k = 0.0681-0.1266-0.2389 ( 4329 PWs) bands (ev): -42.2433 -42.2433 -21.1771 -21.1771 -20.6785 -20.6785 -20.6565 -20.6565 -5.3365 -5.3365 -4.7156 -4.7156 -4.6347 -4.6347 -4.4952 -4.4952 -2.5310 -2.5310 -2.4371 -2.4371 -2.4062 -2.4062 0.8912 0.8912 4.8945 4.8945 5.1695 5.1695 5.5909 5.5909 6.2667 6.2667 6.7295 6.7295 6.9710 6.9710 9.3506 9.3506 9.3655 9.3655 9.9666 9.9666 10.2546 10.2546 k = 0.0743-0.1381-0.2606 ( 4327 PWs) bands (ev): -42.2433 -42.2433 -21.1775 -21.1775 -20.6787 -20.6787 -20.6573 -20.6573 -5.3190 -5.3190 -4.7207 -4.7207 -4.6351 -4.6351 -4.4846 -4.4846 -2.5293 -2.5293 -2.4355 -2.4355 -2.4057 -2.4057 0.9197 0.9197 4.8357 4.8357 5.1270 5.1270 5.5918 5.5918 6.3019 6.3019 6.6927 6.6927 6.9256 6.9256 9.3645 9.3645 9.3756 9.3756 10.0030 10.0030 10.1888 10.1888 k = 0.0805-0.1496-0.2823 ( 4337 PWs) bands (ev): -42.2432 -42.2432 -21.1780 -21.1780 -20.6789 -20.6789 -20.6582 -20.6582 -5.3003 -5.3003 -4.7257 -4.7257 -4.6352 -4.6352 -4.4740 -4.4740 -2.5275 -2.5275 -2.4339 -2.4339 -2.4052 -2.4052 0.9505 0.9505 4.7778 4.7778 5.0803 5.0803 5.5926 5.5926 6.3307 6.3307 6.6589 6.6589 6.8795 6.8795 9.3748 9.3748 9.3877 9.3877 10.0310 10.0310 10.1357 10.1357 k = 0.0867-0.1611-0.3040 ( 4335 PWs) bands (ev): -42.2431 -42.2431 -21.1785 -21.1785 -20.6791 -20.6791 -20.6591 -20.6591 -5.2803 -5.2803 -4.7306 -4.7306 -4.6352 -4.6352 -4.4633 -4.4633 -2.5257 -2.5257 -2.4323 -2.4323 -2.4044 -2.4044 0.9836 0.9836 4.7213 4.7213 5.0294 5.0294 5.5931 5.5931 6.3522 6.3522 6.6287 6.6287 6.8331 6.8331 9.3823 9.3823 9.4003 9.4003 10.0344 10.0344 10.1109 10.1109 k = 0.0929-0.1726-0.3258 ( 4335 PWs) bands (ev): -42.2430 -42.2430 -21.1790 -21.1790 -20.6794 -20.6794 -20.6600 -20.6600 -5.2593 -5.2593 -4.7353 -4.7353 -4.6350 -4.6350 -4.4526 -4.4526 -2.5238 -2.5238 -2.4308 -2.4308 -2.4034 -2.4034 1.0189 1.0189 4.6662 4.6662 4.9747 4.9747 5.5930 5.5930 6.3654 6.3654 6.6025 6.6025 6.7871 6.7871 9.3884 9.3884 9.4112 9.4112 10.0079 10.0079 10.1189 10.1189 k = 0.0991-0.1842-0.3475 ( 4325 PWs) bands (ev): -42.2428 -42.2428 -21.1795 -21.1795 -20.6796 -20.6796 -20.6609 -20.6609 -5.2371 -5.2371 -4.7399 -4.7399 -4.6346 -4.6346 -4.4419 -4.4419 -2.5218 -2.5218 -2.4294 -2.4294 -2.4021 -2.4021 1.0564 1.0564 4.6127 4.6127 4.9167 4.9167 5.5919 5.5919 6.3694 6.3694 6.5803 6.5803 6.7423 6.7423 9.3937 9.3937 9.4190 9.4190 9.9779 9.9779 10.1323 10.1323 k = 0.1053-0.1957-0.3692 ( 4315 PWs) bands (ev): -42.2427 -42.2427 -21.1800 -21.1800 -20.6799 -20.6799 -20.6618 -20.6618 -5.2139 -5.2139 -4.7442 -4.7442 -4.6341 -4.6341 -4.4312 -4.4312 -2.5199 -2.5199 -2.4281 -2.4281 -2.4006 -2.4006 1.0960 1.0960 4.5608 4.5608 4.8561 4.8561 5.5896 5.5896 6.3644 6.3644 6.5606 6.5606 6.6999 6.6999 9.3985 9.3985 9.4230 9.4230 9.9529 9.9529 10.1419 10.1419 k = 0.1114-0.2072-0.3909 ( 4315 PWs) bands (ev): -42.2426 -42.2426 -21.1805 -21.1805 -20.6803 -20.6803 -20.6627 -20.6627 -5.1899 -5.1899 -4.7483 -4.7483 -4.6335 -4.6335 -4.4207 -4.4207 -2.5179 -2.5179 -2.4271 -2.4271 -2.3989 -2.3989 1.1376 1.1376 4.5108 4.5108 4.7934 4.7934 5.5857 5.5857 6.3511 6.3511 6.5411 6.5411 6.6613 6.6613 9.4026 9.4026 9.4233 9.4233 9.9323 9.9323 10.1477 10.1477 k = 0.1176-0.2187-0.4126 ( 4317 PWs) bands (ev): -42.2425 -42.2425 -21.1811 -21.1811 -20.6807 -20.6807 -20.6637 -20.6637 -5.1650 -5.1650 -4.7522 -4.7522 -4.6327 -4.6327 -4.4102 -4.4102 -2.5159 -2.5159 -2.4262 -2.4262 -2.3969 -2.3969 1.1812 1.1812 4.4627 4.4627 4.7292 4.7292 5.5797 5.5797 6.3307 6.3307 6.5194 6.5194 6.6276 6.6276 9.4059 9.4059 9.4208 9.4208 9.9130 9.9130 10.1532 10.1532 k = 0.1238-0.2302-0.4344 ( 4319 PWs) bands (ev): -42.2424 -42.2424 -21.1817 -21.1817 -20.6811 -20.6811 -20.6646 -20.6646 -5.1395 -5.1395 -4.7558 -4.7558 -4.6318 -4.6318 -4.4000 -4.4000 -2.5139 -2.5139 -2.4255 -2.4255 -2.3946 -2.3946 1.2265 1.2265 4.4165 4.4165 4.6644 4.6644 5.5712 5.5712 6.3041 6.3041 6.4948 6.4948 6.5985 6.5985 9.4065 9.4065 9.4183 9.4183 9.8911 9.8911 10.1632 10.1632 k = 0.1300-0.2417-0.4561 ( 4321 PWs) bands (ev): -42.2422 -42.2422 -21.1823 -21.1823 -20.6816 -20.6816 -20.6655 -20.6655 -5.1133 -5.1133 -4.7592 -4.7592 -4.6307 -4.6307 -4.3898 -4.3898 -2.5119 -2.5119 -2.4250 -2.4250 -2.3922 -2.3922 1.2736 1.2736 4.3724 4.3724 4.5995 4.5995 5.5599 5.5599 6.2721 6.2721 6.4688 6.4688 6.5722 6.5722 9.4023 9.4023 9.4190 9.4190 9.8644 9.8644 10.1814 10.1814 k = 0.1362-0.2532-0.4778 ( 4319 PWs) bands (ev): -42.2421 -42.2421 -21.1830 -21.1830 -20.6821 -20.6821 -20.6663 -20.6663 -5.0868 -5.0868 -4.7623 -4.7623 -4.6294 -4.6294 -4.3799 -4.3799 -2.5099 -2.5099 -2.4246 -2.4246 -2.3897 -2.3897 1.3222 1.3222 4.3304 4.3304 4.5352 4.5352 5.5453 5.5453 6.2350 6.2350 6.4433 6.4433 6.5462 6.5462 9.3955 9.3955 9.4215 9.4215 9.8335 9.8335 10.2087 10.2087 k = 0.1424-0.2647-0.4995 ( 4315 PWs) bands (ev): -42.2420 -42.2420 -21.1836 -21.1836 -20.6827 -20.6827 -20.6672 -20.6672 -5.0599 -5.0599 -4.7651 -4.7651 -4.6278 -4.6278 -4.3703 -4.3703 -2.5078 -2.5078 -2.4243 -2.4243 -2.3870 -2.3870 1.3723 1.3723 4.2906 4.2906 4.4721 4.4721 5.5270 5.5270 6.1939 6.1939 6.4195 6.4195 6.5187 6.5187 9.3879 9.3879 9.4243 9.4243 9.8007 9.8007 10.2441 10.2441 k = 0.1486-0.2762-0.5212 ( 4313 PWs) bands (ev): -42.2419 -42.2419 -21.1842 -21.1842 -20.6833 -20.6833 -20.6680 -20.6680 -5.0329 -5.0329 -4.7677 -4.7677 -4.6259 -4.6259 -4.3608 -4.3608 -2.5058 -2.5058 -2.4240 -2.4240 -2.3844 -2.3844 1.4235 1.4235 4.2530 4.2530 4.4109 4.4109 5.5046 5.5046 6.1494 6.1494 6.3978 6.3978 6.4891 6.4891 9.3797 9.3797 9.4272 9.4272 9.7691 9.7691 10.2851 10.2851 k = 0.1548-0.2877-0.5429 ( 4317 PWs) bands (ev): -42.2417 -42.2417 -21.1848 -21.1848 -20.6839 -20.6839 -20.6687 -20.6687 -5.0059 -5.0059 -4.7699 -4.7699 -4.6237 -4.6237 -4.3517 -4.3517 -2.5038 -2.5038 -2.4239 -2.4239 -2.3817 -2.3817 1.4758 1.4758 4.2176 4.2176 4.3522 4.3522 5.4778 5.4778 6.1026 6.1026 6.3777 6.3777 6.4571 6.4571 9.3704 9.3704 9.4303 9.4303 9.7411 9.7411 10.3291 10.3291 k = 0.1610-0.2992-0.5647 ( 4313 PWs) bands (ev): -42.2416 -42.2416 -21.1855 -21.1855 -20.6845 -20.6845 -20.6695 -20.6695 -4.9791 -4.9791 -4.7718 -4.7718 -4.6211 -4.6211 -4.3429 -4.3429 -2.5017 -2.5017 -2.4238 -2.4238 -2.3791 -2.3791 1.5289 1.5289 4.1845 4.1845 4.2965 4.2965 5.4465 5.4465 6.0543 6.0543 6.3580 6.3580 6.4236 6.4236 9.3593 9.3593 9.4340 9.4340 9.7189 9.7189 10.3718 10.3718 k = 0.1672-0.3108-0.5864 ( 4321 PWs) bands (ev): -42.2415 -42.2415 -21.1861 -21.1861 -20.6852 -20.6852 -20.6702 -20.6702 -4.9529 -4.9529 -4.7733 -4.7733 -4.6179 -4.6179 -4.3345 -4.3345 -2.4997 -2.4997 -2.4237 -2.4237 -2.3766 -2.3766 1.5826 1.5826 4.1536 4.1536 4.2444 4.2444 5.4105 5.4105 6.0051 6.0051 6.3362 6.3362 6.3909 6.3909 9.3457 9.3457 9.4387 9.4387 9.7037 9.7037 10.4071 10.4071 k = 0.1734-0.3223-0.6081 ( 4319 PWs) bands (ev): -42.2414 -42.2414 -21.1867 -21.1867 -20.6859 -20.6859 -20.6708 -20.6708 -4.9275 -4.9275 -4.7744 -4.7744 -4.6141 -4.6141 -4.3264 -4.3264 -2.4976 -2.4976 -2.4237 -2.4237 -2.3742 -2.3742 1.6366 1.6366 4.1249 4.1249 4.1966 4.1966 5.3698 5.3698 5.9555 5.9555 6.3079 6.3079 6.3633 6.3633 9.3295 9.3295 9.4451 9.4451 9.6957 9.6957 10.4275 10.4275 k = 0.1796-0.3338-0.6298 ( 4327 PWs) bands (ev): -42.2412 -42.2412 -21.1874 -21.1874 -20.6866 -20.6866 -20.6715 -20.6715 -4.9032 -4.9032 -4.7749 -4.7749 -4.6094 -4.6094 -4.3187 -4.3187 -2.4956 -2.4956 -2.4236 -2.4236 -2.3719 -2.3719 1.6905 1.6905 4.0982 4.0982 4.1536 4.1536 5.3245 5.3245 5.9059 5.9059 6.2711 6.2711 6.3429 6.3429 9.3114 9.3114 9.4530 9.4530 9.6943 9.6943 10.4283 10.4283 k = 0.1857-0.3453-0.6515 ( 4329 PWs) bands (ev): -42.2411 -42.2411 -21.1880 -21.1880 -20.6873 -20.6873 -20.6721 -20.6721 -4.8805 -4.8805 -4.7749 -4.7749 -4.6038 -4.6038 -4.3114 -4.3114 -2.4935 -2.4935 -2.4236 -2.4236 -2.3698 -2.3698 1.7442 1.7442 4.0734 4.0734 4.1162 4.1162 5.2749 5.2749 5.8565 5.8565 6.2282 6.2282 6.3273 6.3273 9.2923 9.2923 9.4624 9.4624 9.6985 9.6985 10.4119 10.4119 k = 0.1919-0.3568-0.6732 ( 4325 PWs) bands (ev): -42.2410 -42.2410 -21.1885 -21.1885 -20.6880 -20.6880 -20.6727 -20.6727 -4.8599 -4.8599 -4.7740 -4.7740 -4.5969 -4.5969 -4.3046 -4.3046 -2.4914 -2.4914 -2.4235 -2.4235 -2.3679 -2.3679 1.7972 1.7972 4.0504 4.0504 4.0849 4.0849 5.2213 5.2213 5.8075 5.8075 6.1820 6.1820 6.3139 6.3139 9.2732 9.2732 9.4732 9.4732 9.7072 9.7072 10.3834 10.3834 k = 0.1981-0.3683-0.6950 ( 4327 PWs) bands (ev): -42.2409 -42.2409 -21.1891 -21.1891 -20.6886 -20.6886 -20.6733 -20.6733 -4.8419 -4.8419 -4.7720 -4.7720 -4.5887 -4.5887 -4.2982 -4.2982 -2.4893 -2.4893 -2.4234 -2.4234 -2.3662 -2.3662 1.8492 1.8492 4.0294 4.0294 4.0598 4.0598 5.1640 5.1640 5.7591 5.7591 6.1340 6.1340 6.3013 6.3013 9.2550 9.2550 9.4849 9.4849 9.7193 9.7193 10.3474 10.3474 k = 0.2043-0.3798-0.7167 ( 4329 PWs) bands (ev): -42.2408 -42.2408 -21.1897 -21.1897 -20.6893 -20.6893 -20.6738 -20.6738 -4.8272 -4.8272 -4.7686 -4.7686 -4.5789 -4.5789 -4.2923 -4.2923 -2.4872 -2.4872 -2.4232 -2.4232 -2.3648 -2.3648 1.8998 1.8998 4.0114 4.0114 4.0405 4.0405 5.1035 5.1035 5.7113 5.7113 6.0849 6.0849 6.2889 6.2889 9.2384 9.2384 9.4971 9.4971 9.7335 9.7335 10.3072 10.3072 k = 0.2105-0.3913-0.7384 ( 4325 PWs) bands (ev): -42.2407 -42.2407 -21.1902 -21.1902 -20.6899 -20.6899 -20.6743 -20.6743 -4.8161 -4.8161 -4.7636 -4.7636 -4.5675 -4.5675 -4.2869 -4.2869 -2.4850 -2.4850 -2.4230 -2.4230 -2.3636 -2.3636 1.9488 1.9488 3.9971 3.9971 4.0264 4.0264 5.0403 5.0403 5.6642 5.6642 6.0355 6.0355 6.2762 6.2762 9.2237 9.2237 9.5096 9.5096 9.7486 9.7486 10.2655 10.2655 k = 0.2167-0.4028-0.7601 ( 4323 PWs) bands (ev): -42.2406 -42.2406 -21.1907 -21.1907 -20.6905 -20.6905 -20.6749 -20.6749 -4.8084 -4.8084 -4.7574 -4.7574 -4.5545 -4.5545 -4.2820 -4.2820 -2.4829 -2.4829 -2.4228 -2.4228 -2.3627 -2.3627 1.9957 1.9957 3.9869 3.9869 4.0174 4.0174 4.9748 4.9748 5.6177 5.6177 5.9863 5.9863 6.2628 6.2628 9.2112 9.2112 9.5218 9.5218 9.7632 9.7632 10.2250 10.2250 k = 0.2229-0.4143-0.7818 ( 4327 PWs) bands (ev): -42.2405 -42.2405 -21.1912 -21.1912 -20.6910 -20.6910 -20.6754 -20.6754 -4.8032 -4.8032 -4.7509 -4.7509 -4.5399 -4.5399 -4.2776 -4.2776 -2.4807 -2.4807 -2.4225 -2.4225 -2.3621 -2.3621 2.0404 2.0404 3.9799 3.9799 4.0146 4.0146 4.9077 4.9077 5.5719 5.5719 5.9378 5.9378 6.2485 6.2485 9.2008 9.2008 9.5334 9.5334 9.7756 9.7756 10.1883 10.1883 k = 0.2291-0.4259-0.8035 ( 4324 PWs) bands (ev): -42.2404 -42.2404 -21.1917 -21.1917 -20.6915 -20.6915 -20.6759 -20.6759 -4.7995 -4.7995 -4.7448 -4.7448 -4.5242 -4.5242 -4.2737 -4.2737 -2.4785 -2.4785 -2.4221 -2.4221 -2.3617 -2.3617 2.0825 2.0825 3.9748 3.9748 4.0192 4.0192 4.8394 4.8394 5.5266 5.5266 5.8906 5.8906 6.2332 6.2332 9.1925 9.1925 9.5439 9.5439 9.7838 9.7838 10.1582 10.1582 k = 0.2353-0.4374-0.8253 ( 4314 PWs) bands (ev): -42.2403 -42.2403 -21.1921 -21.1921 -20.6919 -20.6919 -20.6764 -20.6764 -4.7967 -4.7967 -4.7395 -4.7395 -4.5076 -4.5076 -4.2704 -4.2704 -2.4762 -2.4762 -2.4217 -2.4217 -2.3616 -2.3616 2.1220 2.1220 3.9711 3.9711 4.0317 4.0317 4.7707 4.7707 5.4818 5.4818 5.8450 5.8450 6.2165 6.2165 9.1860 9.1860 9.5527 9.5527 9.7862 9.7862 10.1374 10.1374 k = 0.2415-0.4489-0.8470 ( 4310 PWs) bands (ev): -42.2402 -42.2402 -21.1925 -21.1925 -20.6923 -20.6923 -20.6769 -20.6769 -4.7943 -4.7943 -4.7352 -4.7352 -4.4904 -4.4904 -4.2676 -4.2676 -2.4740 -2.4740 -2.4212 -2.4212 -2.3618 -2.3618 2.1587 2.1587 3.9686 3.9686 4.0517 4.0517 4.7020 4.7020 5.4374 5.4374 5.8015 5.8015 6.1986 6.1986 9.1808 9.1808 9.5593 9.5593 9.7822 9.7822 10.1271 10.1271 k = 0.2477-0.4604-0.8687 ( 4306 PWs) bands (ev): -42.2401 -42.2401 -21.1929 -21.1929 -20.6927 -20.6927 -20.6774 -20.6774 -4.7922 -4.7922 -4.7320 -4.7320 -4.4731 -4.4731 -4.2654 -4.2654 -2.4717 -2.4717 -2.4206 -2.4206 -2.3623 -2.3623 2.1926 2.1926 3.9675 3.9675 4.0788 4.0788 4.6341 4.6341 5.3933 5.3933 5.7605 5.7605 6.1792 6.1792 9.1765 9.1765 9.5632 9.5632 9.7729 9.7729 10.1272 10.1272 k = 0.2539-0.4719-0.8904 ( 4310 PWs) bands (ev): -42.2400 -42.2400 -21.1932 -21.1932 -20.6930 -20.6930 -20.6779 -20.6779 -4.7901 -4.7901 -4.7298 -4.7298 -4.4559 -4.4559 -4.2637 -4.2637 -2.4695 -2.4695 -2.4200 -2.4200 -2.3630 -2.3630 2.2237 2.2237 3.9678 3.9678 4.1123 4.1123 4.5677 4.5677 5.3496 5.3496 5.7223 5.7223 6.1584 6.1584 9.1724 9.1724 9.5641 9.5641 9.7611 9.7611 10.1353 10.1353 k = 0.2600-0.4834-0.9121 ( 4306 PWs) bands (ev): -42.2400 -42.2400 -21.1935 -21.1935 -20.6932 -20.6932 -20.6783 -20.6783 -4.7880 -4.7880 -4.7283 -4.7283 -4.4391 -4.4391 -4.2624 -4.2624 -2.4672 -2.4672 -2.4193 -2.4193 -2.3640 -2.3640 2.2521 2.2521 3.9694 3.9694 4.1509 4.1509 4.5039 4.5039 5.3062 5.3062 5.6872 5.6872 6.1362 6.1362 9.1677 9.1677 9.5623 9.5623 9.7496 9.7496 10.1487 10.1487 k = 0.2662-0.4949-0.9339 ( 4308 PWs) bands (ev): -42.2399 -42.2399 -21.1938 -21.1938 -20.6934 -20.6934 -20.6788 -20.6788 -4.7858 -4.7858 -4.7276 -4.7276 -4.4230 -4.4230 -4.2617 -4.2617 -2.4649 -2.4649 -2.4186 -2.4186 -2.3653 -2.3653 2.2780 2.2780 3.9722 3.9722 4.1928 4.1928 4.4445 4.4445 5.2633 5.2633 5.6554 5.6554 6.1127 6.1127 9.1615 9.1615 9.5588 9.5588 9.7401 9.7401 10.1648 10.1648 k = 0.2724-0.5064-0.9556 ( 4308 PWs) bands (ev): -42.2399 -42.2399 -21.1941 -21.1941 -20.6936 -20.6936 -20.6793 -20.6793 -4.7835 -4.7835 -4.7276 -4.7276 -4.4076 -4.4076 -4.2615 -4.2615 -2.4627 -2.4627 -2.4178 -2.4178 -2.3667 -2.3667 2.3013 2.3013 3.9759 3.9759 4.2324 4.2324 4.3950 4.3950 5.2210 5.2210 5.6269 5.6269 6.0879 6.0879 9.1532 9.1532 9.5552 9.5552 9.7329 9.7329 10.1811 10.1811 k = 0.2786-0.5179-0.9773 ( 4300 PWs) bands (ev): -42.2398 -42.2398 -21.1943 -21.1943 -20.6936 -20.6936 -20.6797 -20.6797 -4.7810 -4.7810 -4.7282 -4.7282 -4.3932 -4.3932 -4.2617 -4.2617 -2.4604 -2.4604 -2.4169 -2.4169 -2.3683 -2.3683 2.3221 2.3221 3.9803 3.9803 4.2508 4.2508 4.3743 4.3743 5.1796 5.1796 5.6018 5.6018 6.0620 6.0620 9.1425 9.1425 9.5533 9.5533 9.7276 9.7276 10.1955 10.1955 k = 0.2848-0.5294-0.9990 ( 4304 PWs) bands (ev): -42.2398 -42.2398 -21.1945 -21.1945 -20.6937 -20.6937 -20.6801 -20.6801 -4.7784 -4.7784 -4.7293 -4.7293 -4.3799 -4.3799 -4.2623 -4.2623 -2.4583 -2.4583 -2.4161 -2.4161 -2.3700 -2.3700 2.3406 2.3406 3.9853 3.9853 4.2281 4.2281 4.4018 4.4018 5.1395 5.1395 5.5801 5.5801 6.0352 6.0352 9.1292 9.1292 9.5544 9.5544 9.7232 9.7232 10.2057 10.2057 k = 0.2910-0.5410-1.0207 ( 4304 PWs) bands (ev): -42.2397 -42.2397 -21.1947 -21.1947 -20.6937 -20.6937 -20.6805 -20.6805 -4.7756 -4.7756 -4.7308 -4.7308 -4.3678 -4.3678 -4.2632 -4.2632 -2.4562 -2.4562 -2.4153 -2.4153 -2.3718 -2.3718 2.3566 2.3566 3.9904 3.9904 4.1885 4.1885 4.4535 4.4535 5.1009 5.1009 5.5618 5.5618 6.0075 6.0075 9.1139 9.1139 9.5586 9.5586 9.7191 9.7191 10.2093 10.2093 k = 0.2972-0.5525-1.0424 ( 4304 PWs) bands (ev): -42.2397 -42.2397 -21.1948 -21.1948 -20.6937 -20.6937 -20.6809 -20.6809 -4.7727 -4.7727 -4.7328 -4.7328 -4.3571 -4.3571 -4.2644 -4.2644 -2.4542 -2.4542 -2.4144 -2.4144 -2.3736 -2.3736 2.3700 2.3700 3.9954 3.9954 4.1479 4.1479 4.5128 4.5128 5.0645 5.0645 5.5466 5.5466 5.9792 5.9792 9.0974 9.0974 9.5653 9.5653 9.7150 9.7150 10.2044 10.2044 k = 0.3034-0.5640-1.0642 ( 4300 PWs) bands (ev): -42.2397 -42.2397 -21.1949 -21.1949 -20.6936 -20.6936 -20.6812 -20.6812 -4.7696 -4.7696 -4.7352 -4.7352 -4.3477 -4.3477 -4.2658 -4.2658 -2.4524 -2.4524 -2.4137 -2.4137 -2.3754 -2.3754 2.3807 2.3807 4.0000 4.0000 4.1109 4.1109 4.5751 4.5751 5.0308 5.0308 5.5344 5.5344 5.9505 5.9505 9.0806 9.0806 9.5725 9.5725 9.7116 9.7116 10.1905 10.1905 k = 0.3096-0.5755-1.0859 ( 4302 PWs) bands (ev): -42.2396 -42.2396 -21.1950 -21.1950 -20.6936 -20.6936 -20.6815 -20.6815 -4.7664 -4.7664 -4.7379 -4.7379 -4.3399 -4.3399 -4.2672 -4.2672 -2.4508 -2.4508 -2.4130 -2.4130 -2.3770 -2.3770 2.3886 2.3886 4.0037 4.0037 4.0792 4.0792 4.6380 4.6380 5.0006 5.0006 5.5252 5.5252 5.9216 5.9216 9.0643 9.0643 9.5767 9.5767 9.7108 9.7108 10.1702 10.1702 k = 0.3158-0.5870-1.1076 ( 4294 PWs) bands (ev): -42.2396 -42.2396 -21.1951 -21.1951 -20.6935 -20.6935 -20.6817 -20.6817 -4.7629 -4.7629 -4.7410 -4.7410 -4.3337 -4.3337 -4.2685 -4.2685 -2.4494 -2.4494 -2.4124 -2.4124 -2.3784 -2.3784 2.3933 2.3933 4.0061 4.0061 4.0537 4.0537 4.6996 4.6996 4.9752 4.9752 5.5186 5.5186 5.8928 5.8928 9.0493 9.0493 9.5738 9.5738 9.7159 9.7159 10.1477 10.1477 k = 0.3220-0.5985-1.1293 ( 4286 PWs) bands (ev): -42.2396 -42.2396 -21.1951 -21.1951 -20.6934 -20.6934 -20.6819 -20.6819 -4.7594 -4.7594 -4.7443 -4.7443 -4.3294 -4.3294 -4.2695 -4.2695 -2.4483 -2.4483 -2.4119 -2.4119 -2.3795 -2.3795 2.3948 2.3948 4.0071 4.0071 4.0351 4.0351 4.7567 4.7567 4.9572 4.9572 5.5146 5.5146 5.8643 5.8643 9.0362 9.0362 9.5612 9.5612 9.7287 9.7287 10.1271 10.1271 k = 0.3282-0.6100-1.1510 ( 4292 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6934 -20.6934 -20.6820 -20.6820 -4.7560 -4.7560 -4.7477 -4.7477 -4.3269 -4.3269 -4.2700 -4.2700 -2.4477 -2.4477 -2.4116 -2.4116 -2.3802 -2.3802 2.3930 2.3930 4.0065 4.0065 4.0233 4.0233 4.8032 4.8032 4.9522 4.9522 5.5127 5.5127 5.8363 5.8363 9.0251 9.0251 9.5396 9.5396 9.7487 9.7487 10.1104 10.1104 k = 0.3343-0.6215-1.1727 ( 4290 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6934 -20.6934 -20.6820 -20.6820 -4.7544 -4.7544 -4.7494 -4.7494 -4.3262 -4.3262 -4.2701 -4.2701 -2.4476 -2.4476 -2.4113 -2.4113 -2.3805 -2.3805 2.3876 2.3876 4.0047 4.0047 4.0181 4.0181 4.8298 4.8298 4.9695 4.9695 5.5129 5.5129 5.8093 5.8093 9.0161 9.0161 9.5117 9.5117 9.7738 9.7738 10.0986 10.0986 k = 0.3405-0.6330-1.1945 ( 4292 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6934 -20.6934 -20.6820 -20.6820 -4.7574 -4.7574 -4.7465 -4.7465 -4.3272 -4.3272 -4.2698 -4.2698 -2.4480 -2.4480 -2.4110 -2.4110 -2.3804 -2.3804 2.3789 2.3789 4.0004 4.0004 4.0205 4.0205 4.8370 4.8370 5.0079 5.0079 5.5148 5.5148 5.7836 5.7836 9.0088 9.0088 9.4804 9.4804 9.8023 9.8023 10.0917 10.0917 k = 0.6595-0.5071-1.1187 ( 4292 PWs) bands (ev): -42.2396 -42.2396 -21.1952 -21.1952 -20.6934 -20.6934 -20.6820 -20.6820 -4.7574 -4.7574 -4.7465 -4.7465 -4.3272 -4.3272 -4.2698 -4.2698 -2.4480 -2.4480 -2.4110 -2.4110 -2.3804 -2.3804 2.3789 2.3789 4.0004 4.0004 4.0205 4.0205 4.8370 4.8370 5.0079 5.0079 5.5148 5.5148 5.7836 5.7836 9.0088 9.0088 9.4804 9.4804 9.8023 9.8023 10.0917 10.0917 k = 0.6533-0.4827-1.1187 ( 4292 PWs) bands (ev): -42.2396 -42.2396 -21.1951 -21.1951 -20.6935 -20.6935 -20.6818 -20.6818 -4.7616 -4.7616 -4.7425 -4.7425 -4.3296 -4.3296 -4.2692 -4.2692 -2.4489 -2.4489 -2.4106 -2.4106 -2.3799 -2.3799 2.3670 2.3670 3.9932 3.9932 4.0306 4.0306 4.8361 4.8361 5.0552 5.0552 5.5179 5.5179 5.7597 5.7597 9.0025 9.0025 9.4485 9.4485 9.8329 9.8329 10.0888 10.0888 k = 0.6472-0.4584-1.1187 ( 4296 PWs) bands (ev): -42.2396 -42.2396 -21.1951 -21.1951 -20.6936 -20.6936 -20.6816 -20.6816 -4.7663 -4.7663 -4.7383 -4.7383 -4.3332 -4.3332 -4.2686 -4.2686 -2.4505 -2.4505 -2.4101 -2.4101 -2.3791 -2.3791 2.3522 2.3522 3.9835 3.9835 4.0477 4.0477 4.8343 4.8343 5.1045 5.1045 5.5219 5.5219 5.7380 5.7380 8.9963 8.9963 9.4180 9.4180 9.8649 9.8649 10.0890 10.0890 k = 0.6411-0.4340-1.1187 ( 4292 PWs) bands (ev): -42.2396 -42.2396 -21.1950 -21.1950 -20.6938 -20.6938 -20.6813 -20.6813 -4.7711 -4.7711 -4.7338 -4.7338 -4.3376 -4.3376 -4.2680 -4.2680 -2.4525 -2.4525 -2.4093 -2.4093 -2.3780 -2.3780 2.3347 2.3347 3.9716 3.9716 4.0710 4.0710 4.8340 4.8340 5.1526 5.1526 5.5262 5.5262 5.7189 5.7189 8.9888 8.9888 9.3908 9.3908 9.8978 9.8978 10.0911 10.0911 k = 0.6349-0.4097-1.1187 ( 4294 PWs) bands (ev): -42.2397 -42.2397 -21.1950 -21.1950 -20.6940 -20.6940 -20.6809 -20.6809 -4.7761 -4.7761 -4.7292 -4.7292 -4.3428 -4.3428 -4.2676 -4.2676 -2.4550 -2.4550 -2.4085 -2.4085 -2.3767 -2.3767 2.3150 2.3150 3.9577 3.9577 4.0999 4.0999 4.8363 4.8363 5.1984 5.1984 5.5304 5.5304 5.7030 5.7030 8.9787 8.9787 9.3683 9.3683 9.9311 9.9311 10.0938 10.0938 k = 0.6288-0.3853-1.1187 ( 4296 PWs) bands (ev): -42.2397 -42.2397 -21.1949 -21.1949 -20.6942 -20.6942 -20.6804 -20.6804 -4.7813 -4.7813 -4.7244 -4.7244 -4.3486 -4.3486 -4.2674 -4.2674 -2.4579 -2.4579 -2.4075 -2.4075 -2.3752 -2.3752 2.2934 2.2934 3.9421 3.9421 4.1337 4.1337 4.8411 4.8411 5.2411 5.2411 5.5338 5.5338 5.6909 5.6909 8.9650 8.9650 9.3513 9.3513 9.9644 9.9644 10.0959 10.0959 k = 0.6227-0.3610-1.1187 ( 4296 PWs) bands (ev): -42.2397 -42.2397 -21.1948 -21.1948 -20.6945 -20.6945 -20.6799 -20.6799 -4.7866 -4.7866 -4.7195 -4.7195 -4.3548 -4.3548 -4.2675 -4.2675 -2.4611 -2.4611 -2.4064 -2.4064 -2.3736 -2.3736 2.2704 2.2704 3.9251 3.9251 4.1716 4.1716 4.8486 4.8486 5.2807 5.2807 5.5361 5.5361 5.6830 5.6830 8.9473 8.9473 9.3392 9.3392 9.9974 9.9974 10.0966 10.0966 k = 0.6165-0.3366-1.1187 ( 4298 PWs) bands (ev): -42.2397 -42.2397 -21.1947 -21.1947 -20.6948 -20.6948 -20.6794 -20.6794 -4.7919 -4.7919 -4.7145 -4.7145 -4.3613 -4.3613 -4.2679 -4.2679 -2.4644 -2.4644 -2.4053 -2.4053 -2.3720 -2.3720 2.2464 2.2464 3.9070 3.9070 4.2125 4.2125 4.8583 4.8583 5.3171 5.3171 5.5370 5.5370 5.6794 5.6794 8.9260 8.9260 9.3306 9.3306 10.0293 10.0293 10.0962 10.0962 k = 0.6104-0.3123-1.1187 ( 4306 PWs) bands (ev): -42.2397 -42.2397 -21.1947 -21.1947 -20.6951 -20.6951 -20.6788 -20.6788 -4.7973 -4.7973 -4.7095 -4.7095 -4.3682 -4.3682 -4.2684 -4.2684 -2.4680 -2.4680 -2.4041 -2.4041 -2.3703 -2.3703 2.2217 2.2217 3.8881 3.8881 4.2557 4.2557 4.8701 4.8701 5.3504 5.3504 5.5371 5.5371 5.6798 5.6798 8.9019 8.9019 9.3235 9.3235 10.0577 10.0577 10.0972 10.0972 k = 0.6043-0.2879-1.1187 ( 4308 PWs) bands (ev): -42.2398 -42.2398 -21.1946 -21.1946 -20.6954 -20.6954 -20.6782 -20.6782 -4.8027 -4.8027 -4.7043 -4.7043 -4.3752 -4.3752 -4.2692 -4.2692 -2.4716 -2.4716 -2.4029 -2.4029 -2.3686 -2.3686 2.1968 2.1968 3.8688 3.8688 4.3002 4.3002 4.8836 4.8836 5.3810 5.3810 5.5369 5.5369 5.6832 5.6832 8.8760 8.8760 9.3153 9.3153 10.0744 10.0744 10.1079 10.1079 k = 0.5981-0.2636-1.1187 ( 4306 PWs) bands (ev): -42.2398 -42.2398 -21.1945 -21.1945 -20.6957 -20.6957 -20.6776 -20.6776 -4.8081 -4.8081 -4.6990 -4.6990 -4.3823 -4.3823 -4.2701 -4.2701 -2.4751 -2.4751 -2.4017 -2.4017 -2.3668 -2.3668 2.1720 2.1720 3.8494 3.8494 4.3448 4.3448 4.8986 4.8986 5.4094 5.4094 5.5373 5.5373 5.6889 5.6889 8.8493 8.8493 9.3040 9.3040 10.0781 10.0781 10.1284 10.1284 k = 0.5920-0.2393-1.1187 ( 4308 PWs) bands (ev): -42.2398 -42.2398 -21.1944 -21.1944 -20.6960 -20.6960 -20.6769 -20.6769 -4.8134 -4.8134 -4.6938 -4.6938 -4.3896 -4.3896 -4.2712 -4.2712 -2.4787 -2.4787 -2.4006 -2.4006 -2.3652 -2.3652 2.1476 2.1476 3.8301 3.8301 4.3887 4.3887 4.9146 4.9146 5.4358 5.4358 5.5390 5.5390 5.6961 5.6961 8.8226 8.8226 9.2876 9.2876 10.0795 10.0795 10.1461 10.1461 k = 0.5859-0.2149-1.1187 ( 4304 PWs) bands (ev): -42.2399 -42.2399 -21.1943 -21.1943 -20.6963 -20.6963 -20.6763 -20.6763 -4.8185 -4.8185 -4.6884 -4.6884 -4.3969 -4.3969 -4.2723 -4.2723 -2.4822 -2.4822 -2.3994 -2.3994 -2.3635 -2.3635 2.1237 2.1237 3.8111 3.8111 4.4309 4.4309 4.9314 4.9314 5.4604 5.4604 5.5430 5.5430 5.7042 5.7042 8.7966 8.7966 9.2655 9.2655 10.0821 10.0821 10.1557 10.1557 k = 0.5797-0.1906-1.1187 ( 4302 PWs) bands (ev): -42.2399 -42.2399 -21.1942 -21.1942 -20.6966 -20.6966 -20.6756 -20.6756 -4.8235 -4.8235 -4.6831 -4.6831 -4.4042 -4.4042 -4.2735 -4.2735 -2.4855 -2.4855 -2.3984 -2.3984 -2.3619 -2.3619 2.1008 2.1008 3.7927 3.7927 4.4705 4.4705 4.9487 4.9487 5.4821 5.4821 5.5507 5.5507 5.7128 5.7128 8.7717 8.7717 9.2372 9.2372 10.0865 10.0865 10.1570 10.1570 k = 0.5736-0.1662-1.1187 ( 4300 PWs) bands (ev): -42.2399 -42.2399 -21.1941 -21.1941 -20.6969 -20.6969 -20.6750 -20.6750 -4.8284 -4.8284 -4.6778 -4.6778 -4.4114 -4.4114 -4.2748 -4.2748 -2.4888 -2.4888 -2.3974 -2.3974 -2.3603 -2.3603 2.0789 2.0789 3.7751 3.7751 4.5069 4.5069 4.9664 4.9664 5.4993 5.4993 5.5641 5.5641 5.7218 5.7218 8.7483 8.7483 9.2031 9.2031 10.0922 10.0922 10.1529 10.1529 k = 0.5675-0.1419-1.1187 ( 4304 PWs) bands (ev): -42.2399 -42.2399 -21.1940 -21.1940 -20.6972 -20.6972 -20.6744 -20.6744 -4.8330 -4.8330 -4.6726 -4.6726 -4.4184 -4.4184 -4.2761 -4.2761 -2.4919 -2.4919 -2.3964 -2.3964 -2.3589 -2.3589 2.0582 2.0582 3.7583 3.7583 4.5396 4.5396 4.9841 4.9841 5.5107 5.5107 5.5842 5.5842 5.7314 5.7314 8.7265 8.7265 9.1643 9.1643 10.0981 10.0981 10.1468 10.1468 k = 0.5613-0.1175-1.1187 ( 4302 PWs) bands (ev): -42.2400 -42.2400 -21.1939 -21.1939 -20.6975 -20.6975 -20.6739 -20.6739 -4.8373 -4.8373 -4.6675 -4.6675 -4.4253 -4.4253 -4.2773 -4.2773 -2.4947 -2.4947 -2.3955 -2.3955 -2.3575 -2.3575 2.0390 2.0390 3.7427 3.7427 4.5682 4.5682 5.0016 5.0016 5.5177 5.5177 5.6087 5.6087 5.7422 5.7422 8.7066 8.7066 9.1218 9.1218 10.1024 10.1024 10.1419 10.1419 k = 0.5552-0.0932-1.1187 ( 4302 PWs) bands (ev): -42.2400 -42.2400 -21.1938 -21.1938 -20.6977 -20.6977 -20.6734 -20.6734 -4.8413 -4.8413 -4.6625 -4.6625 -4.4319 -4.4319 -4.2785 -4.2785 -2.4974 -2.4974 -2.3947 -2.3947 -2.3563 -2.3563 2.0212 2.0212 3.7282 3.7282 4.5927 4.5927 5.0188 5.0188 5.5219 5.5219 5.6342 5.6342 5.7552 5.7552 8.6886 8.6886 9.0769 9.0769 10.1024 10.1024 10.1413 10.1413 k = 0.5491-0.0688-1.1187 ( 4300 PWs) bands (ev): -42.2400 -42.2400 -21.1938 -21.1938 -20.6979 -20.6979 -20.6729 -20.6729 -4.8450 -4.8450 -4.6577 -4.6577 -4.4382 -4.4382 -4.2796 -4.2796 -2.4999 -2.4999 -2.3940 -2.3940 -2.3551 -2.3551 2.0051 2.0051 3.7150 3.7150 4.6132 4.6132 5.0353 5.0353 5.5246 5.5246 5.6574 5.6574 5.7718 5.7718 8.6725 8.6725 9.0312 9.0312 10.0981 10.0981 10.1454 10.1454 k = 0.5429-0.0445-1.1187 ( 4304 PWs) bands (ev): -42.2400 -42.2400 -21.1937 -21.1937 -20.6981 -20.6981 -20.6724 -20.6724 -4.8484 -4.8484 -4.6533 -4.6533 -4.4441 -4.4441 -4.2806 -4.2806 -2.5021 -2.5021 -2.3934 -2.3934 -2.3541 -2.3541 1.9906 1.9906 3.7031 3.7031 4.6301 4.6301 5.0508 5.0508 5.5262 5.5262 5.6759 5.6759 5.7929 5.7929 8.6584 8.6584 8.9861 8.9861 10.0917 10.0917 10.1518 10.1518 k = 0.5368-0.0201-1.1187 ( 4310 PWs) bands (ev): -42.2400 -42.2400 -21.1937 -21.1937 -20.6983 -20.6983 -20.6721 -20.6721 -4.8513 -4.8513 -4.6491 -4.6491 -4.4494 -4.4494 -4.2816 -4.2816 -2.5040 -2.5040 -2.3928 -2.3928 -2.3532 -2.3532 1.9780 1.9780 3.6927 3.6927 4.6436 4.6436 5.0652 5.0652 5.5270 5.5270 5.6891 5.6891 5.8178 5.8178 8.6463 8.6463 8.9431 8.9431 10.0850 10.0850 10.1588 10.1588 k = 0.5307 0.0042-1.1187 ( 4302 PWs) bands (ev): -42.2400 -42.2400 -21.1936 -21.1936 -20.6985 -20.6985 -20.6717 -20.6717 -4.8539 -4.8539 -4.6454 -4.6454 -4.4542 -4.4542 -4.2824 -4.2824 -2.5056 -2.5056 -2.3924 -2.3924 -2.3524 -2.3524 1.9672 1.9672 3.6838 3.6838 4.6542 4.6542 5.0780 5.0780 5.5274 5.5274 5.6979 5.6979 5.8441 5.8441 8.6362 8.6362 8.9037 8.9037 10.0789 10.0789 10.1653 10.1653 k = 0.5245 0.0286-1.1187 ( 4292 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6986 -20.6986 -20.6714 -20.6714 -4.8560 -4.8560 -4.6421 -4.6421 -4.4583 -4.4583 -4.2830 -4.2830 -2.5070 -2.5070 -2.3920 -2.3920 -2.3517 -2.3517 1.9583 1.9583 3.6764 3.6764 4.6622 4.6622 5.0890 5.0890 5.5274 5.5274 5.7035 5.7035 5.8693 5.8693 8.6279 8.6279 8.8691 8.8691 10.0736 10.0736 10.1711 10.1711 k = 0.5184 0.0529-1.1187 ( 4286 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6987 -20.6987 -20.6712 -20.6712 -4.8576 -4.8576 -4.6395 -4.6395 -4.4616 -4.4616 -4.2836 -4.2836 -2.5080 -2.5080 -2.3916 -2.3916 -2.3512 -2.3512 1.9513 1.9513 3.6707 3.6707 4.6681 4.6681 5.0979 5.0979 5.5272 5.5272 5.7071 5.7071 5.8911 5.8911 8.6216 8.6216 8.8407 8.8407 10.0694 10.0694 10.1758 10.1758 k = 0.5123 0.0773-1.1187 ( 4286 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6987 -20.6987 -20.6710 -20.6710 -4.8588 -4.8588 -4.6376 -4.6376 -4.4640 -4.4640 -4.2839 -4.2839 -2.5088 -2.5088 -2.3914 -2.3914 -2.3508 -2.3508 1.9463 1.9463 3.6665 3.6665 4.6721 4.6721 5.1044 5.1044 5.5269 5.5269 5.7093 5.7093 5.9079 5.9079 8.6171 8.6171 8.8195 8.8195 10.0663 10.0663 10.1792 10.1792 k = 0.5061 0.1016-1.1187 ( 4286 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6988 -20.6988 -20.6709 -20.6709 -4.8595 -4.8595 -4.6364 -4.6364 -4.4655 -4.4655 -4.2842 -4.2842 -2.5093 -2.5093 -2.3913 -2.3913 -2.3506 -2.3506 1.9433 1.9433 3.6640 3.6640 4.6744 4.6744 5.1084 5.1084 5.5267 5.5267 5.7105 5.7105 5.9184 5.9184 8.6144 8.6144 8.8065 8.8065 10.0644 10.0644 10.1813 10.1813 k = 0.5000 0.1260-1.1187 ( 4280 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8598 -4.8598 -4.6359 -4.6359 -4.4660 -4.4660 -4.2842 -4.2842 -2.5094 -2.5094 -2.3912 -2.3912 -2.3505 -2.3505 1.9423 1.9423 3.6632 3.6632 4.6752 4.6752 5.1098 5.1098 5.5266 5.5266 5.7109 5.7109 5.9220 5.9220 8.6136 8.6136 8.8021 8.8021 10.0638 10.0638 10.1820 10.1820 k = 0.5000 0.1260-1.1187 ( 4280 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8598 -4.8598 -4.6359 -4.6359 -4.4660 -4.4660 -4.2842 -4.2842 -2.5094 -2.5094 -2.3912 -2.3912 -2.3505 -2.3505 1.9423 1.9423 3.6632 3.6632 4.6752 4.6752 5.1098 5.1098 5.5266 5.5266 5.7109 5.7109 5.9220 5.9220 8.6136 8.6136 8.8021 8.8021 10.0638 10.0638 10.1820 10.1820 k = 0.5199 0.1310-1.1092 ( 4283 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8598 -4.8598 -4.6359 -4.6359 -4.4659 -4.4659 -4.2844 -4.2844 -2.5094 -2.5094 -2.3912 -2.3912 -2.3505 -2.3505 1.9429 1.9429 3.6626 3.6626 4.6685 4.6685 5.1164 5.1164 5.5271 5.5271 5.7096 5.7096 5.9234 5.9234 8.6145 8.6145 8.8028 8.8028 10.0638 10.0638 10.1822 10.1822 k = 0.5399 0.1360-1.0997 ( 4283 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8599 -4.8599 -4.6360 -4.6360 -4.4657 -4.4657 -4.2847 -4.2847 -2.5094 -2.5094 -2.3913 -2.3913 -2.3506 -2.3506 1.9450 1.9450 3.6608 3.6608 4.6501 4.6501 5.1341 5.1341 5.5291 5.5291 5.7058 5.7058 5.9276 5.9276 8.6174 8.6174 8.8051 8.8051 10.0637 10.0637 10.1830 10.1830 k = 0.5598 0.1410-1.0902 ( 4295 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6988 -20.6988 -20.6709 -20.6709 -4.8601 -4.8601 -4.6360 -4.6360 -4.4654 -4.4654 -4.2854 -4.2854 -2.5095 -2.5095 -2.3914 -2.3914 -2.3507 -2.3507 1.9483 1.9483 3.6577 3.6577 4.6238 4.6238 5.1576 5.1576 5.5339 5.5339 5.7000 5.7000 5.9343 5.9343 8.6220 8.6220 8.8089 8.8089 10.0636 10.0636 10.1843 10.1843 k = 0.5797 0.1460-1.0808 ( 4302 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6988 -20.6988 -20.6709 -20.6709 -4.8604 -4.8604 -4.6360 -4.6360 -4.4649 -4.4649 -4.2862 -4.2862 -2.5095 -2.5095 -2.3916 -2.3916 -2.3507 -2.3507 1.9529 1.9529 3.6529 3.6529 4.5937 4.5937 5.1806 5.1806 5.5436 5.5436 5.6930 5.6930 5.9433 5.9433 8.6282 8.6282 8.8144 8.8144 10.0634 10.0634 10.1860 10.1860 k = 0.5997 0.1511-1.0713 ( 4307 PWs) bands (ev): -42.2401 -42.2401 -21.1935 -21.1935 -20.6988 -20.6988 -20.6709 -20.6709 -4.8607 -4.8607 -4.6361 -4.6361 -4.4644 -4.4644 -4.2871 -4.2871 -2.5096 -2.5096 -2.3918 -2.3918 -2.3509 -2.3509 1.9589 1.9589 3.6463 3.6463 4.5630 4.5630 5.1972 5.1972 5.5602 5.5602 5.6862 5.6862 5.9544 5.9544 8.6356 8.6356 8.8215 8.8215 10.0632 10.0632 10.1880 10.1880 k = 0.6196 0.1561-1.0618 ( 4307 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8610 -4.8610 -4.6361 -4.6361 -4.4640 -4.4640 -4.2883 -4.2883 -2.5096 -2.5096 -2.3920 -2.3920 -2.3510 -2.3510 1.9660 1.9660 3.6375 3.6375 4.5340 4.5340 5.2033 5.2033 5.5833 5.5833 5.6821 5.6821 5.9675 5.9675 8.6438 8.6438 8.8303 8.8303 10.0629 10.0629 10.1903 10.1903 k = 0.6395 0.1611-1.0523 ( 4302 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8613 -4.8613 -4.6361 -4.6361 -4.4635 -4.4635 -4.2894 -4.2894 -2.5096 -2.5096 -2.3923 -2.3923 -2.3511 -2.3511 1.9744 1.9744 3.6261 3.6261 4.5086 4.5086 5.1977 5.1977 5.6063 5.6063 5.6877 5.6877 5.9828 5.9828 8.6526 8.6526 8.8408 8.8408 10.0625 10.0625 10.1928 10.1928 k = 0.6595 0.1661-1.0429 ( 4302 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6986 -20.6986 -20.6709 -20.6709 -4.8617 -4.8617 -4.6362 -4.6362 -4.4632 -4.4632 -4.2907 -4.2907 -2.5097 -2.5097 -2.3925 -2.3925 -2.3512 -2.3512 1.9839 1.9839 3.6120 3.6120 4.4878 4.4878 5.1810 5.1810 5.6166 5.6166 5.7132 5.7132 6.0005 6.0005 8.6615 8.6615 8.8531 8.8531 10.0621 10.0621 10.1952 10.1952 k = 0.6595 0.1661-1.0429 ( 4302 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6986 -20.6986 -20.6709 -20.6709 -4.8617 -4.8617 -4.6362 -4.6362 -4.4632 -4.4632 -4.2907 -4.2907 -2.5097 -2.5097 -2.3925 -2.3925 -2.3512 -2.3512 1.9839 1.9839 3.6120 3.6120 4.4878 4.4878 5.1810 5.1810 5.6166 5.6166 5.7132 5.7132 6.0005 6.0005 8.6615 8.6615 8.8531 8.8531 10.0621 10.0621 10.1952 10.1952 k = 0.6559 0.1652-1.0180 ( 4300 PWs) bands (ev): -42.2401 -42.2401 -21.1933 -21.1933 -20.6984 -20.6984 -20.6709 -20.6709 -4.8647 -4.8647 -4.6364 -4.6364 -4.4600 -4.4600 -4.2972 -4.2972 -2.5097 -2.5097 -2.3929 -2.3929 -2.3524 -2.3524 1.9732 1.9732 3.6053 3.6053 4.5618 4.5618 5.1908 5.1908 5.6058 5.6058 5.6767 5.6767 5.9875 5.9875 8.6696 8.6696 8.8603 8.8603 10.0615 10.0615 10.2035 10.2035 k = 0.6524 0.1643-0.9932 ( 4297 PWs) bands (ev): -42.2401 -42.2401 -21.1931 -21.1931 -20.6982 -20.6982 -20.6709 -20.6709 -4.8680 -4.8680 -4.6366 -4.6366 -4.4586 -4.4586 -4.3044 -4.3044 -2.5098 -2.5098 -2.3934 -2.3934 -2.3537 -2.3537 1.9611 1.9611 3.6032 3.6032 4.6324 4.6324 5.2061 5.2061 5.5708 5.5708 5.6644 5.6644 5.9791 5.9791 8.6812 8.6812 8.8694 8.8694 10.0597 10.0597 10.2128 10.2128 k = 0.6488 0.1634-0.9683 ( 4303 PWs) bands (ev): -42.2402 -42.2402 -21.1929 -21.1929 -20.6978 -20.6978 -20.6708 -20.6708 -4.8716 -4.8716 -4.6370 -4.6370 -4.4588 -4.4588 -4.3121 -4.3121 -2.5098 -2.5098 -2.3939 -2.3939 -2.3553 -2.3553 1.9476 1.9476 3.6060 3.6060 4.6973 4.6973 5.2268 5.2268 5.5248 5.5248 5.6655 5.6655 5.9748 5.9748 8.6965 8.6965 8.8807 8.8807 10.0566 10.0566 10.2223 10.2223 k = 0.6453 0.1626-0.9434 ( 4295 PWs) bands (ev): -42.2402 -42.2402 -21.1927 -21.1927 -20.6974 -20.6974 -20.6708 -20.6708 -4.8755 -4.8755 -4.6374 -4.6374 -4.4608 -4.4608 -4.3203 -4.3203 -2.5098 -2.5098 -2.3945 -2.3945 -2.3570 -2.3570 1.9327 1.9327 3.6142 3.6142 4.7544 4.7544 5.2512 5.2512 5.4812 5.4812 5.6701 5.6701 5.9744 5.9744 8.7152 8.7152 8.8947 8.8947 10.0523 10.0523 10.2312 10.2312 k = 0.6417 0.1617-0.9186 ( 4293 PWs) bands (ev): -42.2403 -42.2403 -21.1924 -21.1924 -20.6969 -20.6969 -20.6707 -20.6707 -4.8798 -4.8798 -4.6378 -4.6378 -4.4645 -4.4645 -4.3289 -4.3289 -2.5099 -2.5099 -2.3952 -2.3952 -2.3590 -2.3590 1.9162 1.9162 3.6280 3.6280 4.8014 4.8014 5.2722 5.2722 5.4515 5.4515 5.6756 5.6756 5.9778 5.9778 8.7370 8.7370 8.9124 8.9124 10.0469 10.0469 10.2385 10.2385 k = 0.6382 0.1608-0.8937 ( 4290 PWs) bands (ev): -42.2403 -42.2403 -21.1920 -21.1920 -20.6964 -20.6964 -20.6707 -20.6707 -4.8846 -4.8846 -4.6384 -4.6384 -4.4698 -4.4698 -4.3378 -4.3378 -2.5099 -2.5099 -2.3960 -2.3960 -2.3611 -2.3611 1.8982 1.8982 3.6476 3.6476 4.8371 4.8371 5.2741 5.2741 5.4528 5.4528 5.6813 5.6813 5.9853 5.9853 8.7611 8.7611 8.9349 8.9349 10.0404 10.0404 10.2436 10.2436 k = 0.6347 0.1599-0.8689 ( 4298 PWs) bands (ev): -42.2404 -42.2404 -21.1917 -21.1917 -20.6958 -20.6958 -20.6706 -20.6706 -4.8898 -4.8898 -4.6390 -4.6390 -4.4765 -4.4765 -4.3469 -4.3469 -2.5099 -2.5099 -2.3969 -2.3969 -2.3635 -2.3635 1.8787 1.8787 3.6730 3.6730 4.8608 4.8608 5.2535 5.2535 5.4887 5.4887 5.6874 5.6874 5.9968 5.9968 8.7863 8.7863 8.9636 8.9636 10.0330 10.0330 10.2456 10.2456 k = 0.6311 0.1590-0.8440 ( 4291 PWs) bands (ev): -42.2405 -42.2405 -21.1913 -21.1913 -20.6951 -20.6951 -20.6705 -20.6705 -4.8955 -4.8955 -4.6397 -4.6397 -4.4847 -4.4847 -4.3561 -4.3561 -2.5099 -2.5099 -2.3979 -2.3979 -2.3659 -2.3659 1.8577 1.8577 3.7043 3.7043 4.8721 4.8721 5.2247 5.2247 5.5430 5.5430 5.6955 5.6955 6.0126 6.0126 8.8112 8.8112 9.0002 9.0002 10.0246 10.0246 10.2440 10.2440 k = 0.6276 0.1581-0.8191 ( 4295 PWs) bands (ev): -42.2406 -42.2406 -21.1909 -21.1909 -20.6943 -20.6943 -20.6704 -20.6704 -4.9018 -4.9018 -4.6405 -4.6405 -4.4941 -4.4941 -4.3655 -4.3655 -2.5100 -2.5100 -2.3989 -2.3989 -2.3685 -2.3685 1.8355 1.8355 3.7413 3.7413 4.8711 4.8711 5.1981 5.1981 5.5996 5.5996 5.7111 5.7111 6.0329 6.0329 8.8347 8.8347 9.0458 9.0458 10.0156 10.0156 10.2387 10.2387 k = 0.6240 0.1572-0.7943 ( 4293 PWs) bands (ev): -42.2407 -42.2407 -21.1904 -21.1904 -20.6936 -20.6936 -20.6703 -20.6703 -4.9088 -4.9088 -4.6413 -4.6413 -4.5046 -4.5046 -4.3749 -4.3749 -2.5101 -2.5101 -2.4000 -2.4000 -2.3712 -2.3712 1.8120 1.8120 3.7835 3.7835 4.8583 4.8583 5.1783 5.1783 5.6393 5.6393 5.7479 5.7479 6.0581 6.0581 8.8566 8.8566 9.1007 9.1007 10.0058 10.0058 10.2296 10.2296 k = 0.6205 0.1563-0.7694 ( 4295 PWs) bands (ev): -42.2407 -42.2407 -21.1899 -21.1899 -20.6927 -20.6927 -20.6701 -20.6701 -4.9164 -4.9164 -4.6423 -4.6423 -4.5159 -4.5159 -4.3844 -4.3844 -2.5102 -2.5102 -2.4011 -2.4011 -2.3739 -2.3739 1.7876 1.7876 3.8305 3.8305 4.8355 4.8355 5.1661 5.1661 5.6557 5.6557 5.8088 5.8088 6.0889 6.0889 8.8769 8.8769 9.1645 9.1645 9.9955 9.9955 10.2171 10.2171 k = 0.6169 0.1554-0.7446 ( 4302 PWs) bands (ev): -42.2408 -42.2408 -21.1894 -21.1894 -20.6919 -20.6919 -20.6700 -20.6700 -4.9248 -4.9248 -4.6435 -4.6435 -4.5279 -4.5279 -4.3939 -4.3939 -2.5103 -2.5103 -2.4023 -2.4023 -2.3768 -2.3768 1.7623 1.7623 3.8814 3.8814 4.8060 4.8060 5.1607 5.1607 5.6609 5.6609 5.8789 5.8789 6.1267 6.1267 8.8960 8.8960 9.2367 9.2367 9.9846 9.9846 10.2019 10.2019 k = 0.6134 0.1545-0.7197 ( 4310 PWs) bands (ev): -42.2410 -42.2410 -21.1889 -21.1889 -20.6910 -20.6910 -20.6698 -20.6698 -4.9340 -4.9340 -4.6447 -4.6447 -4.5403 -4.5403 -4.4035 -4.4035 -2.5105 -2.5105 -2.4035 -2.4035 -2.3798 -2.3798 1.7364 1.7364 3.9351 3.9351 4.7732 4.7732 5.1603 5.1603 5.6617 5.6617 5.9482 5.9482 6.1732 6.1732 8.9144 8.9144 9.3163 9.3163 9.9734 9.9734 10.1845 10.1845 k = 0.6099 0.1536-0.6948 ( 4306 PWs) bands (ev): -42.2411 -42.2411 -21.1883 -21.1883 -20.6901 -20.6901 -20.6695 -20.6695 -4.9440 -4.9440 -4.6462 -4.6462 -4.5530 -4.5530 -4.4130 -4.4130 -2.5107 -2.5107 -2.4047 -2.4047 -2.3828 -2.3828 1.7101 1.7101 3.9898 3.9898 4.7411 4.7411 5.1634 5.1634 5.6606 5.6606 6.0123 6.0123 6.2300 6.2300 8.9323 8.9323 9.4020 9.4020 9.9620 9.9620 10.1661 10.1661 k = 0.6063 0.1527-0.6700 ( 4299 PWs) bands (ev): -42.2412 -42.2412 -21.1877 -21.1877 -20.6892 -20.6892 -20.6693 -20.6693 -4.9548 -4.9548 -4.6478 -4.6478 -4.5656 -4.5656 -4.4225 -4.4225 -2.5110 -2.5110 -2.4059 -2.4059 -2.3857 -2.3857 1.6835 1.6835 4.0430 4.0430 4.7134 4.7134 5.1690 5.1690 5.6583 5.6583 6.0693 6.0693 6.2973 6.2973 8.9499 8.9499 9.4922 9.4922 9.9507 9.9507 10.1480 10.1480 k = 0.6028 0.1518-0.6451 ( 4300 PWs) bands (ev): -42.2413 -42.2413 -21.1871 -21.1871 -20.6883 -20.6883 -20.6690 -20.6690 -4.9666 -4.9666 -4.6497 -4.6497 -4.5780 -4.5780 -4.4319 -4.4319 -2.5113 -2.5113 -2.4071 -2.4071 -2.3887 -2.3887 1.6569 1.6569 4.0908 4.0908 4.6949 4.6949 5.1762 5.1762 5.6553 5.6553 6.1204 6.1204 6.3732 6.3732 8.9674 8.9674 9.5841 9.5841 9.9398 9.9398 10.1322 10.1322 k = 0.5992 0.1509-0.6203 ( 4307 PWs) bands (ev): -42.2414 -42.2414 -21.1865 -21.1865 -20.6874 -20.6874 -20.6687 -20.6687 -4.9792 -4.9792 -4.6520 -4.6520 -4.5900 -4.5900 -4.4412 -4.4412 -2.5118 -2.5118 -2.4083 -2.4083 -2.3918 -2.3918 1.6304 1.6304 4.1283 4.1283 4.6908 4.6908 5.1848 5.1848 5.6517 5.6517 6.1676 6.1676 6.4551 6.4551 8.9847 8.9847 9.6730 9.6730 9.9303 9.9303 10.1223 10.1223 k = 0.5957 0.1501-0.5954 ( 4309 PWs) bands (ev): -42.2415 -42.2415 -21.1859 -21.1859 -20.6865 -20.6865 -20.6683 -20.6683 -4.9926 -4.9926 -4.6547 -4.6547 -4.6014 -4.6014 -4.4504 -4.4504 -2.5123 -2.5123 -2.4095 -2.4095 -2.3947 -2.3947 1.6041 1.6041 4.1505 4.1505 4.7065 4.7065 5.1944 5.1944 5.6479 5.6479 6.2127 6.2127 6.5407 6.5407 9.0020 9.0020 9.7489 9.7489 9.9238 9.9238 10.1258 10.1258 k = 0.5921 0.1492-0.5705 ( 4312 PWs) bands (ev): -42.2416 -42.2416 -21.1853 -21.1853 -20.6856 -20.6856 -20.6678 -20.6678 -5.0068 -5.0068 -4.6581 -4.6581 -4.6119 -4.6119 -4.4594 -4.4594 -2.5129 -2.5129 -2.4106 -2.4106 -2.3977 -2.3977 1.5783 1.5783 4.1554 4.1554 4.7441 4.7441 5.2050 5.2050 5.6438 5.6438 6.2569 6.2569 6.6283 6.6283 9.0193 9.0193 9.7978 9.7978 9.9215 9.9215 10.1551 10.1551 k = 0.5886 0.1483-0.5457 ( 4314 PWs) bands (ev): -42.2418 -42.2418 -21.1847 -21.1847 -20.6848 -20.6848 -20.6673 -20.6673 -5.0217 -5.0217 -4.6624 -4.6624 -4.6212 -4.6212 -4.4681 -4.4681 -2.5137 -2.5137 -2.4117 -2.4117 -2.4005 -2.4005 1.5530 1.5530 4.1445 4.1445 4.8019 4.8019 5.2164 5.2164 5.6395 5.6395 6.3009 6.3009 6.7169 6.7169 9.0364 9.0364 9.8148 9.8148 9.9186 9.9186 10.2182 10.2182 k = 0.5850 0.1474-0.5208 ( 4313 PWs) bands (ev): -42.2419 -42.2419 -21.1841 -21.1841 -20.6840 -20.6840 -20.6668 -20.6668 -5.0372 -5.0372 -4.6677 -4.6677 -4.6292 -4.6292 -4.4766 -4.4766 -2.5145 -2.5145 -2.4129 -2.4129 -2.4031 -2.4031 1.5283 1.5283 4.1219 4.1219 4.8758 4.8758 5.2287 5.2287 5.6352 5.6352 6.3452 6.3452 6.8058 6.8058 9.0534 9.0534 9.8123 9.8123 9.9095 9.9095 10.3067 10.3067 k = 0.5815 0.1465-0.4960 ( 4309 PWs) bands (ev): -42.2420 -42.2420 -21.1834 -21.1834 -20.6832 -20.6832 -20.6662 -20.6662 -5.0532 -5.0532 -4.6742 -4.6742 -4.6356 -4.6356 -4.4846 -4.4846 -2.5154 -2.5154 -2.4142 -2.4142 -2.4054 -2.4054 1.5044 1.5044 4.0916 4.0916 4.9615 4.9615 5.2420 5.2420 5.6310 5.6310 6.3899 6.3899 6.8944 6.8944 9.0703 9.0703 9.8008 9.8008 9.8947 9.8947 10.4067 10.4067 k = 0.5780 0.1456-0.4711 ( 4317 PWs) bands (ev): -42.2421 -42.2421 -21.1828 -21.1828 -20.6826 -20.6826 -20.6655 -20.6655 -5.0697 -5.0697 -4.6816 -4.6816 -4.6408 -4.6408 -4.4924 -4.4924 -2.5165 -2.5165 -2.4157 -2.4157 -2.4074 -2.4074 1.4812 1.4812 4.0565 4.0565 5.0552 5.0552 5.2567 5.2567 5.6267 5.6267 6.4352 6.4352 6.9824 6.9824 9.0870 9.0870 9.7848 9.7848 9.8767 9.8767 10.5075 10.5075 k = 0.5744 0.1447-0.4462 ( 4321 PWs) bands (ev): -42.2423 -42.2423 -21.1822 -21.1822 -20.6820 -20.6820 -20.6648 -20.6648 -5.0864 -5.0864 -4.6897 -4.6897 -4.6450 -4.6450 -4.4997 -4.4997 -2.5176 -2.5176 -2.4175 -2.4175 -2.4089 -2.4089 1.4590 1.4590 4.0188 4.0188 5.1525 5.1525 5.2751 5.2751 5.6227 5.6227 6.4810 6.4810 7.0692 7.0692 9.1033 9.1033 9.7659 9.7659 9.8572 9.8572 10.6002 10.6002 k = 0.5709 0.1438-0.4214 ( 4316 PWs) bands (ev): -42.2424 -42.2424 -21.1816 -21.1816 -20.6814 -20.6814 -20.6640 -20.6640 -5.1033 -5.1033 -4.6981 -4.6981 -4.6484 -4.6484 -4.5065 -4.5065 -2.5189 -2.5189 -2.4195 -2.4195 -2.4099 -2.4099 1.4377 1.4377 3.9798 3.9798 5.2379 5.2379 5.3109 5.3109 5.6189 5.6189 6.5274 6.5274 7.1547 7.1547 9.1193 9.1193 9.7448 9.7448 9.8372 9.8372 10.6773 10.6773 k = 0.5673 0.1429-0.3965 ( 4315 PWs) bands (ev): -42.2425 -42.2425 -21.1810 -21.1810 -20.6809 -20.6809 -20.6632 -20.6632 -5.1203 -5.1203 -4.7066 -4.7066 -4.6514 -4.6514 -4.5129 -4.5129 -2.5202 -2.5202 -2.4217 -2.4217 -2.4106 -2.4106 1.4173 1.4173 3.9405 3.9405 5.2778 5.2778 5.3964 5.3964 5.6155 5.6155 6.5743 6.5743 7.2386 7.2386 9.1349 9.1349 9.7215 9.7215 9.8175 9.8175 10.7334 10.7334 k = 0.5638 0.1420-0.3717 ( 4312 PWs) bands (ev): -42.2426 -42.2426 -21.1804 -21.1804 -20.6804 -20.6804 -20.6624 -20.6624 -5.1371 -5.1371 -4.7151 -4.7151 -4.6541 -4.6541 -4.5189 -4.5189 -2.5216 -2.5216 -2.4239 -2.4239 -2.4110 -2.4110 1.3980 1.3980 3.9014 3.9014 5.2976 5.2976 5.5044 5.5044 5.6133 5.6133 6.6216 6.6216 7.3204 7.3204 9.1501 9.1501 9.6961 9.6961 9.7985 9.7985 10.7681 10.7681 k = 0.5602 0.1411-0.3468 ( 4315 PWs) bands (ev): -42.2428 -42.2428 -21.1799 -21.1799 -20.6800 -20.6800 -20.6615 -20.6615 -5.1537 -5.1537 -4.7235 -4.7235 -4.6566 -4.6566 -4.5243 -4.5243 -2.5230 -2.5230 -2.4262 -2.4262 -2.4112 -2.4112 1.3797 1.3797 3.8631 3.8631 5.3138 5.3138 5.5979 5.5979 5.6320 5.6320 6.6692 6.6692 7.4000 7.4000 9.1646 9.1646 9.6688 9.6688 9.7804 9.7804 10.7854 10.7854 k = 0.5567 0.1402-0.3220 ( 4316 PWs) bands (ev): -42.2429 -42.2429 -21.1794 -21.1794 -20.6796 -20.6796 -20.6606 -20.6606 -5.1699 -5.1699 -4.7316 -4.7316 -4.6589 -4.6589 -4.5293 -4.5293 -2.5245 -2.5245 -2.4284 -2.4284 -2.4112 -2.4112 1.3624 1.3624 3.8260 3.8260 5.3287 5.3287 5.6034 5.6034 5.7419 5.7419 6.7169 6.7169 7.4771 7.4771 9.1785 9.1785 9.6396 9.6396 9.7634 9.7634 10.7903 10.7903 k = 0.5532 0.1393-0.2971 ( 4316 PWs) bands (ev): -42.2430 -42.2430 -21.1789 -21.1789 -20.6793 -20.6793 -20.6598 -20.6598 -5.1858 -5.1858 -4.7396 -4.7396 -4.6611 -4.6611 -4.5339 -4.5339 -2.5261 -2.5261 -2.4305 -2.4305 -2.4111 -2.4111 1.3462 1.3462 3.7902 3.7902 5.3429 5.3429 5.6021 5.6021 5.8605 5.8605 6.7648 6.7648 7.5512 7.5512 9.1917 9.1917 9.6087 9.6087 9.7474 9.7474 10.7865 10.7865 k = 0.5496 0.1385-0.2722 ( 4314 PWs) bands (ev): -42.2431 -42.2431 -21.1784 -21.1784 -20.6791 -20.6791 -20.6589 -20.6589 -5.2010 -5.2010 -4.7472 -4.7472 -4.6631 -4.6631 -4.5380 -4.5380 -2.5276 -2.5276 -2.4325 -2.4325 -2.4109 -2.4109 1.3311 1.3311 3.7561 3.7561 5.3564 5.3564 5.6007 5.6007 5.9802 5.9802 6.8125 6.8125 7.6222 7.6222 9.2041 9.2041 9.5766 9.5766 9.7322 9.7322 10.7765 10.7765 k = 0.5461 0.1376-0.2474 ( 4321 PWs) bands (ev): -42.2432 -42.2432 -21.1779 -21.1779 -20.6788 -20.6788 -20.6581 -20.6581 -5.2156 -5.2156 -4.7545 -4.7545 -4.6651 -4.6651 -4.5417 -4.5417 -2.5292 -2.5292 -2.4345 -2.4345 -2.4107 -2.4107 1.3171 1.3171 3.7237 3.7237 5.3691 5.3691 5.5997 5.5997 6.0996 6.0996 6.8601 6.8601 7.6898 7.6898 9.2155 9.2155 9.5434 9.5434 9.7178 9.7178 10.7612 10.7612 k = 0.5425 0.1367-0.2225 ( 4332 PWs) bands (ev): -42.2433 -42.2433 -21.1775 -21.1775 -20.6786 -20.6786 -20.6573 -20.6573 -5.2295 -5.2295 -4.7615 -4.7615 -4.6669 -4.6669 -4.5451 -4.5451 -2.5307 -2.5307 -2.4363 -2.4363 -2.4104 -2.4104 1.3041 1.3041 3.6932 3.6932 5.3810 5.3810 5.5994 5.5994 6.2177 6.2177 6.9073 6.9073 7.7536 7.7536 9.2259 9.2259 9.5097 9.5097 9.7040 9.7040 10.7409 10.7409 k = 0.5390 0.1358-0.1977 ( 4337 PWs) bands (ev): -42.2434 -42.2434 -21.1771 -21.1771 -20.6785 -20.6785 -20.6565 -20.6565 -5.2425 -5.2425 -4.7680 -4.7680 -4.6685 -4.6685 -4.5481 -4.5481 -2.5322 -2.5322 -2.4380 -2.4380 -2.4100 -2.4100 1.2922 1.2922 3.6648 3.6648 5.3919 5.3919 5.5996 5.5996 6.3334 6.3334 6.9542 6.9542 7.8134 7.8134 9.2350 9.2350 9.4758 9.4758 9.6907 9.6907 10.7147 10.7147 k = 0.5354 0.1349-0.1728 ( 4343 PWs) bands (ev): -42.2434 -42.2434 -21.1767 -21.1767 -20.6783 -20.6783 -20.6557 -20.6557 -5.2547 -5.2547 -4.7741 -4.7741 -4.6700 -4.6700 -4.5507 -4.5507 -2.5336 -2.5336 -2.4395 -2.4395 -2.4097 -2.4097 1.2814 1.2814 3.6386 3.6386 5.4018 5.4018 5.6005 5.6005 6.4455 6.4455 7.0006 7.0006 7.8690 7.8690 9.2426 9.2426 9.4423 9.4423 9.6776 9.6776 10.6816 10.6816 k = 0.5319 0.1340-0.1479 ( 4353 PWs) bands (ev): -42.2435 -42.2435 -21.1764 -21.1764 -20.6782 -20.6782 -20.6551 -20.6551 -5.2659 -5.2659 -4.7798 -4.7798 -4.6715 -4.6715 -4.5530 -4.5530 -2.5350 -2.5350 -2.4410 -2.4410 -2.4093 -2.4093 1.2716 1.2716 3.6146 3.6146 5.4104 5.4104 5.6020 5.6020 6.5525 6.5525 7.0467 7.0467 7.9202 7.9202 9.2487 9.2487 9.4095 9.4095 9.6647 9.6647 10.6410 10.6410 k = 0.5283 0.1331-0.1231 ( 4354 PWs) bands (ev): -42.2436 -42.2436 -21.1761 -21.1761 -20.6781 -20.6781 -20.6544 -20.6544 -5.2760 -5.2760 -4.7849 -4.7849 -4.6727 -4.6727 -4.5550 -4.5550 -2.5362 -2.5362 -2.4422 -2.4422 -2.4089 -2.4089 1.2629 1.2629 3.5930 3.5930 5.4180 5.4180 5.6040 5.6040 6.6526 6.6526 7.0925 7.0925 7.9667 7.9667 9.2529 9.2529 9.3781 9.3781 9.6521 9.6521 10.5937 10.5937 k = 0.5248 0.1322-0.0982 ( 4352 PWs) bands (ev): -42.2436 -42.2436 -21.1758 -21.1758 -20.6780 -20.6780 -20.6538 -20.6538 -5.2851 -5.2851 -4.7895 -4.7895 -4.6738 -4.6738 -4.5567 -4.5567 -2.5373 -2.5373 -2.4433 -2.4433 -2.4085 -2.4085 1.2553 1.2553 3.5737 3.5737 5.4243 5.4243 5.6064 5.6064 6.7439 6.7439 7.1382 7.1382 8.0084 8.0084 9.2551 9.2551 9.3485 9.3485 9.6397 9.6397 10.5417 10.5417 k = 0.5213 0.1313-0.0734 ( 4356 PWs) bands (ev): -42.2437 -42.2437 -21.1756 -21.1756 -20.6779 -20.6779 -20.6533 -20.6533 -5.2931 -5.2931 -4.7936 -4.7936 -4.6748 -4.6748 -4.5582 -4.5582 -2.5383 -2.5383 -2.4443 -2.4443 -2.4082 -2.4082 1.2487 1.2487 3.5569 3.5569 5.4295 5.4295 5.6090 5.6090 6.8244 6.8244 7.1836 7.1836 8.0452 8.0452 9.2553 9.2553 9.3214 9.3214 9.6278 9.6278 10.4884 10.4884 k = 0.5177 0.1304-0.0485 ( 4360 PWs) bands (ev): -42.2437 -42.2437 -21.1754 -21.1754 -20.6779 -20.6779 -20.6529 -20.6529 -5.2999 -5.2999 -4.7971 -4.7971 -4.6756 -4.6756 -4.5594 -4.5594 -2.5392 -2.5392 -2.4451 -2.4451 -2.4079 -2.4079 1.2431 1.2431 3.5426 3.5426 5.4337 5.4337 5.6116 5.6116 6.8925 6.8925 7.2282 7.2282 8.0769 8.0769 9.2535 9.2535 9.2973 9.2973 9.6168 9.6168 10.4374 10.4374 k = 0.5142 0.1295-0.0236 ( 4363 PWs) bands (ev): -42.2438 -42.2438 -21.1752 -21.1752 -20.6778 -20.6778 -20.6525 -20.6525 -5.3055 -5.3055 -4.7999 -4.7999 -4.6763 -4.6763 -4.5603 -4.5603 -2.5399 -2.5399 -2.4458 -2.4458 -2.4076 -2.4076 1.2385 1.2385 3.5309 3.5309 5.4370 5.4370 5.6141 5.6141 6.9471 6.9471 7.2705 7.2705 8.1033 8.1033 9.2501 9.2501 9.2767 9.2767 9.6068 9.6068 10.3916 10.3916 k = 0.5106 0.1286 0.0012 ( 4360 PWs) bands (ev): -42.2438 -42.2438 -21.1751 -21.1751 -20.6778 -20.6778 -20.6522 -20.6522 -5.3099 -5.3099 -4.8022 -4.8022 -4.6768 -4.6768 -4.5611 -4.5611 -2.5405 -2.5405 -2.4463 -2.4463 -2.4074 -2.4074 1.2350 1.2350 3.5217 3.5217 5.4394 5.4394 5.6162 5.6162 6.9884 6.9884 7.3080 7.3080 8.1242 8.1242 9.2457 9.2457 9.2603 9.2603 9.5986 9.5986 10.3538 10.3538 k = 0.5071 0.1277 0.0261 ( 4360 PWs) bands (ev): -42.2438 -42.2438 -21.1750 -21.1750 -20.6777 -20.6777 -20.6520 -20.6520 -5.3130 -5.3130 -4.8038 -4.8038 -4.6772 -4.6772 -4.5616 -4.5616 -2.5409 -2.5409 -2.4466 -2.4466 -2.4073 -2.4073 1.2325 1.2325 3.5151 3.5151 5.4411 5.4411 5.6179 5.6179 7.0170 7.0170 7.3377 7.3377 8.1394 8.1394 9.2407 9.2407 9.2489 9.2489 9.5923 9.5923 10.3256 10.3256 k = 0.5035 0.1268 0.0509 ( 4361 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3149 -5.3149 -4.8048 -4.8048 -4.6774 -4.6774 -4.5619 -4.5619 -2.5412 -2.5412 -2.4469 -2.4469 -2.4072 -2.4072 1.2309 1.2309 3.5112 3.5112 5.4420 5.4420 5.6189 5.6189 7.0337 7.0337 7.3569 7.3569 8.1486 8.1486 9.2362 9.2362 9.2429 9.2429 9.5884 9.5884 10.3082 10.3082 k = 0.5000 0.1260 0.0758 ( 4372 PWs) bands (ev): -42.2438 -42.2438 -21.1749 -21.1749 -20.6777 -20.6777 -20.6519 -20.6519 -5.3156 -5.3156 -4.8051 -4.8051 -4.6775 -4.6775 -4.5620 -4.5620 -2.5413 -2.5413 -2.4469 -2.4469 -2.4072 -2.4072 1.2304 1.2304 3.5099 3.5099 5.4423 5.4423 5.6192 5.6192 7.0392 7.0392 7.3635 7.3635 8.1517 8.1517 9.2343 9.2343 9.2412 9.2412 9.5871 9.5871 10.3024 10.3024 k = 0.5000-0.9295-0.5593 ( 4272 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8442 -4.8442 -4.6357 -4.6357 -4.5014 -4.5014 -4.2677 -4.2677 -2.5096 -2.5096 -2.3942 -2.3942 -2.3470 -2.3470 2.2621 2.2621 3.1968 3.1968 4.5257 4.5257 4.5544 4.5544 5.5039 5.5039 6.0856 6.0856 6.7847 6.7847 8.6468 8.6468 9.0263 9.0263 10.0412 10.0412 10.1892 10.1892 k = 0.5228-0.9205-0.5539 ( 4278 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8444 -4.8444 -4.6357 -4.6357 -4.5011 -4.5011 -4.2679 -4.2679 -2.5096 -2.5096 -2.3942 -2.3942 -2.3470 -2.3470 2.2588 2.2588 3.2019 3.2019 4.4964 4.4964 4.5861 4.5861 5.5046 5.5046 6.0845 6.0845 6.7772 6.7772 8.6477 8.6477 9.0249 9.0249 10.0414 10.0414 10.1893 10.1893 k = 0.5456-0.9115-0.5485 ( 4276 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8449 -4.8449 -4.6357 -4.6357 -4.5000 -4.5000 -4.2684 -4.2684 -2.5096 -2.5096 -2.3942 -2.3942 -2.3471 -2.3471 2.2493 2.2493 3.2169 3.2169 4.4591 4.4591 4.6307 4.6307 5.5069 5.5069 6.0809 6.0809 6.7551 6.7551 8.6502 8.6502 9.0210 9.0210 10.0422 10.0422 10.1894 10.1894 k = 0.5683-0.9025-0.5431 ( 4278 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8457 -4.8457 -4.6357 -4.6357 -4.4983 -4.4983 -4.2693 -4.2693 -2.5096 -2.5096 -2.3941 -2.3941 -2.3473 -2.3473 2.2343 2.2343 3.2408 3.2408 4.4244 4.4244 4.6776 4.6776 5.5105 5.5105 6.0749 6.0749 6.7191 6.7191 8.6540 8.6540 9.0145 9.0145 10.0435 10.0435 10.1897 10.1897 k = 0.5911-0.8935-0.5377 ( 4280 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8468 -4.8468 -4.6358 -4.6358 -4.4960 -4.4960 -4.2706 -4.2706 -2.5096 -2.5096 -2.3941 -2.3941 -2.3475 -2.3475 2.2148 2.2148 3.2721 3.2721 4.3936 4.3936 4.7260 4.7260 5.5156 5.5156 6.0666 6.0666 6.6703 6.6703 8.6587 8.6587 9.0056 9.0056 10.0451 10.0451 10.1900 10.1900 k = 0.6139-0.8845-0.5323 ( 4282 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6988 -20.6988 -20.6709 -20.6709 -4.8481 -4.8481 -4.6358 -4.6358 -4.4932 -4.4932 -4.2721 -4.2721 -2.5096 -2.5096 -2.3940 -2.3940 -2.3478 -2.3478 2.1921 2.1921 3.3093 3.3093 4.3674 4.3674 4.7754 4.7754 5.5221 5.5221 6.0558 6.0558 6.6103 6.6103 8.6637 8.6637 8.9943 8.9943 10.0471 10.0471 10.1904 10.1904 k = 0.6367-0.8755-0.5268 ( 4282 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8496 -4.8496 -4.6358 -4.6358 -4.4899 -4.4899 -4.2739 -4.2739 -2.5096 -2.5096 -2.3938 -2.3938 -2.3482 -2.3482 2.1673 2.1673 3.3503 3.3503 4.3467 4.3467 4.8253 4.8253 5.5299 5.5299 6.0425 6.0425 6.5407 6.5407 8.6686 8.6686 8.9810 8.9810 10.0492 10.0492 10.1908 10.1908 k = 0.6595-0.8665-0.5214 ( 4284 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8512 -4.8512 -4.6359 -4.6359 -4.4863 -4.4863 -4.2759 -4.2759 -2.5096 -2.5096 -2.3937 -2.3937 -2.3485 -2.3485 2.1414 2.1414 3.3933 3.3933 4.3326 4.3326 4.8754 4.8754 5.5391 5.5391 6.0263 6.0263 6.4636 6.4636 8.6729 8.6729 8.9660 8.9660 10.0514 10.0514 10.1913 10.1913 k = 0.6822-0.8575-0.5160 ( 4285 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8529 -4.8529 -4.6359 -4.6359 -4.4824 -4.4824 -4.2781 -4.2781 -2.5096 -2.5096 -2.3935 -2.3935 -2.3489 -2.3489 2.1153 2.1153 3.4363 3.4363 4.3261 4.3261 4.9251 4.9251 5.5494 5.5494 6.0068 6.0068 6.3813 6.3813 8.6761 8.6761 8.9496 8.9496 10.0535 10.0535 10.1918 10.1918 k = 0.7050-0.8485-0.5106 ( 4285 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8547 -4.8547 -4.6360 -4.6360 -4.4785 -4.4785 -4.2805 -4.2805 -2.5097 -2.5097 -2.3934 -2.3934 -2.3493 -2.3493 2.0896 2.0896 3.4774 3.4774 4.3283 4.3283 4.9741 4.9741 5.5609 5.5609 5.9826 5.9826 6.2966 6.2966 8.6779 8.6779 8.9324 8.9324 10.0556 10.0556 10.1923 10.1923 k = 0.7278-0.8395-0.5052 ( 4291 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8563 -4.8563 -4.6360 -4.6360 -4.4747 -4.4747 -4.2828 -4.2828 -2.5097 -2.5097 -2.3932 -2.3932 -2.3498 -2.3498 2.0649 2.0649 3.5149 3.5149 4.3403 4.3403 5.0218 5.0218 5.5733 5.5733 5.9514 5.9514 6.2139 6.2139 8.6782 8.6782 8.9148 8.9148 10.0574 10.0574 10.1929 10.1929 k = 0.7506-0.8305-0.4998 ( 4299 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8580 -4.8580 -4.6361 -4.6361 -4.4711 -4.4711 -4.2851 -4.2851 -2.5097 -2.5097 -2.3931 -2.3931 -2.3502 -2.3502 2.0416 2.0416 3.5475 3.5475 4.3626 4.3626 5.0675 5.0675 5.5864 5.5864 5.9092 5.9092 6.1391 6.1391 8.6767 8.6767 8.8976 8.8976 10.0591 10.0591 10.1935 10.1935 k = 0.7734-0.8215-0.4944 ( 4298 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8594 -4.8594 -4.6361 -4.6361 -4.4679 -4.4679 -4.2873 -4.2873 -2.5097 -2.5097 -2.3929 -2.3929 -2.3506 -2.3506 2.0202 2.0202 3.5744 3.5744 4.3953 4.3953 5.1103 5.1103 5.5996 5.5996 5.8522 5.8522 6.0784 6.0784 8.6733 8.6733 8.8813 8.8813 10.0604 10.0604 10.1940 10.1940 k = 0.7961-0.8125-0.4890 ( 4296 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6987 -20.6987 -20.6709 -20.6709 -4.8606 -4.8606 -4.6361 -4.6361 -4.4652 -4.4652 -4.2891 -4.2891 -2.5097 -2.5097 -2.3927 -2.3927 -2.3509 -2.3509 2.0009 2.0009 3.5957 3.5957 4.4376 4.4376 5.1489 5.1489 5.6116 5.6116 5.7825 5.7825 6.0335 6.0335 8.6681 8.6681 8.8663 8.8663 10.0614 10.0614 10.1946 10.1946 k = 0.8189-0.8035-0.4835 ( 4302 PWs) bands (ev): -42.2401 -42.2401 -21.1934 -21.1934 -20.6986 -20.6986 -20.6709 -20.6709 -4.8617 -4.8617 -4.6362 -4.6362 -4.4632 -4.4632 -4.2907 -4.2907 -2.5097 -2.5097 -2.3925 -2.3925 -2.3512 -2.3512 1.9839 1.9839 3.6120 3.6120 4.4878 4.4878 5.1810 5.1810 5.6166 5.6166 5.7132 5.7132 6.0005 6.0005 8.6615 8.6615 8.8531 8.8531 10.0621 10.0621 10.1952 10.1952 Writing output data file ScTlSe2.save init_run : 0.64s CPU 1.54s WALL ( 1 calls) electrons : 194.86s CPU 197.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.34s WALL ( 1 calls) potinit : 0.06s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 194.85s CPU 197.43s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 305 calls) cegterg : 174.56s CPU 176.16s WALL ( 318 calls) Called by sum_band: Called by *egterg: h_psi : 140.74s CPU 142.05s WALL ( 6019 calls) s_psi : 3.37s CPU 3.47s WALL ( 6019 calls) g_psi : 0.21s CPU 0.18s WALL ( 5396 calls) cdiaghg : 35.77s CPU 35.87s WALL ( 5701 calls) cegterg:over : 4.18s CPU 4.24s WALL ( 5396 calls) cegterg:upda : 4.01s CPU 4.19s WALL ( 5396 calls) cegterg:last : 1.60s CPU 1.74s WALL ( 963 calls) cdiaghg:chol : 2.09s CPU 2.07s WALL ( 5701 calls) cdiaghg:inve : 1.29s CPU 1.22s WALL ( 5701 calls) cdiaghg:para : 2.01s CPU 2.07s WALL ( 11402 calls) Called by h_psi: h_psi:vloc : 134.50s CPU 135.88s WALL ( 6019 calls) h_psi:vnl : 6.03s CPU 6.00s WALL ( 6019 calls) add_vuspsi : 2.89s CPU 2.90s WALL ( 6019 calls) General routines calbec : 3.13s CPU 3.08s WALL ( 6019 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 121.25s CPU 122.20s WALL ( 577748 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.20s WALL ( 610 calls) Parallel routines fft_scatter : 29.10s CPU 29.50s WALL ( 577771 calls) PWSCF : 3m30.00s CPU 3m59.67s WALL This run was terminated on: 21:24:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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