Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:24:55 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: ./InAgSe2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 45 38 11 904 700 112 Max 46 39 12 907 716 115 Sum 1639 1387 405 32585 25423 4067 bravais-lattice index = 14 lattice parameter (alat) = 13.2816 a.u. unit-cell volume = 603.3110 (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 = 46.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.281566 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.842869 celldm(5)= 0.842869 celldm(6)= 0.842869 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.842869 0.538119 0.000000 ) a(3) = ( 0.842869 0.246118 0.478537 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.566326 -0.955763 ) b(2) = ( 0.000000 1.858326 -0.955763 ) b(3) = ( 0.000000 0.000000 2.089703 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf 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 1241 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0106383 -0.0166630 -0.0101677), wk = 0.0032154 k( 3) = ( 0.0212766 -0.0333261 -0.0203354), wk = 0.0032154 k( 4) = ( 0.0319149 -0.0499891 -0.0305031), wk = 0.0032154 k( 5) = ( 0.0425532 -0.0666522 -0.0406708), wk = 0.0032154 k( 6) = ( 0.0531915 -0.0833152 -0.0508385), wk = 0.0032154 k( 7) = ( 0.0638298 -0.0999782 -0.0610062), wk = 0.0032154 k( 8) = ( 0.0744681 -0.1166413 -0.0711739), wk = 0.0032154 k( 9) = ( 0.0851064 -0.1333043 -0.0813415), wk = 0.0032154 k( 10) = ( 0.0957447 -0.1499674 -0.0915092), wk = 0.0032154 k( 11) = ( 0.1063830 -0.1666304 -0.1016769), wk = 0.0032154 k( 12) = ( 0.1170213 -0.1832934 -0.1118446), wk = 0.0032154 k( 13) = ( 0.1276596 -0.1999565 -0.1220123), wk = 0.0032154 k( 14) = ( 0.1382979 -0.2166195 -0.1321800), wk = 0.0032154 k( 15) = ( 0.1489362 -0.2332826 -0.1423477), wk = 0.0032154 k( 16) = ( 0.1595745 -0.2499456 -0.1525154), wk = 0.0032154 k( 17) = ( 0.1702128 -0.2666087 -0.1626831), wk = 0.0032154 k( 18) = ( 0.1808511 -0.2832717 -0.1728508), wk = 0.0032154 k( 19) = ( 0.1914894 -0.2999347 -0.1830185), wk = 0.0032154 k( 20) = ( 0.2021277 -0.3165978 -0.1931862), wk = 0.0032154 k( 21) = ( 0.2127660 -0.3332608 -0.2033539), wk = 0.0032154 k( 22) = ( 0.2234043 -0.3499239 -0.2135215), wk = 0.0032154 k( 23) = ( 0.2340425 -0.3665869 -0.2236892), wk = 0.0032154 k( 24) = ( 0.2446809 -0.3832499 -0.2338569), wk = 0.0032154 k( 25) = ( 0.2553191 -0.3999130 -0.2440246), wk = 0.0032154 k( 26) = ( 0.2659574 -0.4165760 -0.2541923), wk = 0.0032154 k( 27) = ( 0.2765957 -0.4332390 -0.2643600), wk = 0.0032154 k( 28) = ( 0.2872340 -0.4499021 -0.2745277), wk = 0.0032154 k( 29) = ( 0.2978723 -0.4665651 -0.2846954), wk = 0.0032154 k( 30) = ( 0.3085106 -0.4832282 -0.2948631), wk = 0.0032154 k( 31) = ( 0.3191489 -0.4998912 -0.3050308), wk = 0.0032154 k( 32) = ( 0.3297872 -0.5165542 -0.3151985), wk = 0.0032154 k( 33) = ( 0.3404255 -0.5332173 -0.3253662), wk = 0.0032154 k( 34) = ( 0.3510638 -0.5498803 -0.3355339), wk = 0.0032154 k( 35) = ( 0.3617021 -0.5665434 -0.3457016), wk = 0.0032154 k( 36) = ( 0.3723404 -0.5832064 -0.3558692), wk = 0.0032154 k( 37) = ( 0.3829787 -0.5998694 -0.3660369), wk = 0.0032154 k( 38) = ( 0.3936170 -0.6165325 -0.3762046), wk = 0.0032154 k( 39) = ( 0.4042553 -0.6331955 -0.3863723), wk = 0.0032154 k( 40) = ( 0.4148936 -0.6498586 -0.3965400), wk = 0.0032154 k( 41) = ( 0.4255319 -0.6665216 -0.4067077), wk = 0.0032154 k( 42) = ( 0.4361702 -0.6831847 -0.4168754), wk = 0.0032154 k( 43) = ( 0.4468085 -0.6998477 -0.4270431), wk = 0.0032154 k( 44) = ( 0.4574468 -0.7165107 -0.4372108), wk = 0.0032154 k( 45) = ( 0.4680851 -0.7331738 -0.4473785), wk = 0.0032154 k( 46) = ( 0.4787234 -0.7498368 -0.4575462), wk = 0.0032154 k( 47) = ( 0.4893617 -0.7664999 -0.4677139), wk = 0.0032154 k( 48) = ( 0.5000000 -0.7831629 -0.4778816), wk = 0.0032154 k( 49) = ( 0.5000000 -0.7831629 -0.4778816), wk = 0.0032154 k( 50) = ( 0.5000000 -0.7716308 -0.4967806), wk = 0.0032154 k( 51) = ( 0.5000000 -0.7600988 -0.5156796), wk = 0.0032154 k( 52) = ( 0.5000000 -0.7485667 -0.5345786), wk = 0.0032154 k( 53) = ( 0.5000000 -0.7370347 -0.5534775), wk = 0.0032154 k( 54) = ( 0.5000000 -0.7255026 -0.5723766), wk = 0.0032154 k( 55) = ( 0.5000000 -0.7139705 -0.5912756), wk = 0.0032154 k( 56) = ( 0.5000000 -0.7024385 -0.6101746), wk = 0.0032154 k( 57) = ( 0.5000000 -0.6909064 -0.6290736), wk = 0.0032154 k( 58) = ( 0.5000000 -0.6793743 -0.6479726), wk = 0.0032154 k( 59) = ( 0.5000000 -0.6678423 -0.6668716), wk = 0.0032154 k( 60) = ( 0.5000000 -0.6563102 -0.6857706), wk = 0.0032154 k( 61) = ( 0.5000000 -0.6447781 -0.7046696), wk = 0.0032154 k( 62) = ( 0.5000000 -0.6332461 -0.7235686), wk = 0.0032154 k( 63) = ( 0.5000000 -0.6217140 -0.7424676), wk = 0.0032154 k( 64) = ( 0.5000000 -0.6101819 -0.7613666), wk = 0.0032154 k( 65) = ( 0.5000000 -0.5986499 -0.7802656), wk = 0.0032154 k( 66) = ( 0.5000000 -0.5871178 -0.7991646), wk = 0.0032154 k( 67) = ( 0.5000000 -0.5755858 -0.8180636), wk = 0.0032154 k( 68) = ( 0.5000000 -0.5640537 -0.8369626), wk = 0.0032154 k( 69) = ( 0.5000000 -0.5525216 -0.8558616), wk = 0.0032154 k( 70) = ( 0.5000000 -0.5409896 -0.8747606), wk = 0.0032154 k( 71) = ( 0.5000000 -0.5294575 -0.8936596), wk = 0.0032154 k( 72) = ( 0.5000000 -0.5179254 -0.9125586), wk = 0.0032154 k( 73) = ( 0.5000000 -0.5063934 -0.9314576), wk = 0.0032154 k( 74) = ( 0.5000000 -0.4948613 -0.9503566), wk = 0.0032154 k( 75) = ( 0.5000000 -0.4833292 -0.9692556), wk = 0.0032154 k( 76) = ( 0.5000000 -0.4717972 -0.9881546), wk = 0.0032154 k( 77) = ( 0.5000000 -0.4602651 -1.0070536), wk = 0.0032154 k( 78) = ( 0.5000000 -0.4487330 -1.0259526), wk = 0.0032154 k( 79) = ( 0.5000000 -0.4372010 -1.0448516), wk = 0.0032154 k( 80) = ( 0.8138315 -0.3455621 -0.8666746), wk = 0.0032154 k( 81) = ( 0.8076779 -0.3359236 -0.8479341), wk = 0.0032154 k( 82) = ( 0.8015243 -0.3262851 -0.8291937), wk = 0.0032154 k( 83) = ( 0.7953708 -0.3166466 -0.8104532), wk = 0.0032154 k( 84) = ( 0.7892172 -0.3070081 -0.7917128), wk = 0.0032154 k( 85) = ( 0.7830637 -0.2973697 -0.7729723), wk = 0.0032154 k( 86) = ( 0.7769101 -0.2877312 -0.7542319), wk = 0.0032154 k( 87) = ( 0.7707565 -0.2780927 -0.7354914), wk = 0.0032154 k( 88) = ( 0.7646030 -0.2684542 -0.7167510), wk = 0.0032154 k( 89) = ( 0.7584494 -0.2588158 -0.6980105), wk = 0.0032154 k( 90) = ( 0.7522959 -0.2491773 -0.6792701), wk = 0.0032154 k( 91) = ( 0.7461423 -0.2395388 -0.6605296), wk = 0.0032154 k( 92) = ( 0.7399887 -0.2299003 -0.6417891), wk = 0.0032154 k( 93) = ( 0.7338352 -0.2202619 -0.6230487), wk = 0.0032154 k( 94) = ( 0.7276816 -0.2106234 -0.6043083), wk = 0.0032154 k( 95) = ( 0.7215281 -0.2009849 -0.5855678), wk = 0.0032154 k( 96) = ( 0.7153745 -0.1913464 -0.5668273), wk = 0.0032154 k( 97) = ( 0.7092210 -0.1817080 -0.5480869), wk = 0.0032154 k( 98) = ( 0.7030674 -0.1720695 -0.5293464), wk = 0.0032154 k( 99) = ( 0.6969138 -0.1624310 -0.5106060), wk = 0.0032154 k( 100) = ( 0.6907603 -0.1527925 -0.4918655), wk = 0.0032154 k( 101) = ( 0.6846067 -0.1431541 -0.4731251), wk = 0.0032154 k( 102) = ( 0.6784532 -0.1335156 -0.4543846), wk = 0.0032154 k( 103) = ( 0.6722996 -0.1238771 -0.4356442), wk = 0.0032154 k( 104) = ( 0.6661461 -0.1142386 -0.4169037), wk = 0.0032154 k( 105) = ( 0.6599925 -0.1046001 -0.3981633), wk = 0.0032154 k( 106) = ( 0.6538389 -0.0949617 -0.3794228), wk = 0.0032154 k( 107) = ( 0.6476854 -0.0853232 -0.3606824), wk = 0.0032154 k( 108) = ( 0.6415318 -0.0756847 -0.3419419), wk = 0.0032154 k( 109) = ( 0.6353783 -0.0660462 -0.3232015), wk = 0.0032154 k( 110) = ( 0.6292247 -0.0564078 -0.3044610), wk = 0.0032154 k( 111) = ( 0.6230712 -0.0467693 -0.2857206), wk = 0.0032154 k( 112) = ( 0.6169176 -0.0371308 -0.2669801), wk = 0.0032154 k( 113) = ( 0.6107640 -0.0274923 -0.2482396), wk = 0.0032154 k( 114) = ( 0.6046105 -0.0178539 -0.2294992), wk = 0.0032154 k( 115) = ( 0.5984569 -0.0082154 -0.2107587), wk = 0.0032154 k( 116) = ( 0.5923034 0.0014231 -0.1920183), wk = 0.0032154 k( 117) = ( 0.5861498 0.0110616 -0.1732778), wk = 0.0032154 k( 118) = ( 0.5799962 0.0207000 -0.1545374), wk = 0.0032154 k( 119) = ( 0.5738427 0.0303385 -0.1357969), wk = 0.0032154 k( 120) = ( 0.5676891 0.0399770 -0.1170565), wk = 0.0032154 k( 121) = ( 0.5615356 0.0496155 -0.0983160), wk = 0.0032154 k( 122) = ( 0.5553820 0.0592539 -0.0795756), wk = 0.0032154 k( 123) = ( 0.5492285 0.0688924 -0.0608351), wk = 0.0032154 k( 124) = ( 0.5430749 0.0785309 -0.0420946), wk = 0.0032154 k( 125) = ( 0.5369213 0.0881694 -0.0233542), wk = 0.0032154 k( 126) = ( 0.5307678 0.0978079 -0.0046138), wk = 0.0032154 k( 127) = ( 0.5246142 0.1074463 0.0141267), wk = 0.0032154 k( 128) = ( 0.5184607 0.1170848 0.0328672), wk = 0.0032154 k( 129) = ( 0.5123071 0.1267233 0.0516076), wk = 0.0032154 k( 130) = ( 0.5061536 0.1363618 0.0703481), wk = 0.0032154 k( 131) = ( 0.5000000 0.1460002 0.0890885), wk = 0.0032154 k( 132) = ( 0.5000000 0.1460002 0.0890885), wk = 0.0032154 k( 133) = ( 0.4791667 0.1399169 0.0853765), wk = 0.0032154 k( 134) = ( 0.4583333 0.1338335 0.0816645), wk = 0.0032154 k( 135) = ( 0.4375000 0.1277502 0.0779524), wk = 0.0032154 k( 136) = ( 0.4166667 0.1216669 0.0742404), wk = 0.0032154 k( 137) = ( 0.3958333 0.1155835 0.0705284), wk = 0.0032154 k( 138) = ( 0.3750000 0.1095002 0.0668164), wk = 0.0032154 k( 139) = ( 0.3541667 0.1034168 0.0631044), wk = 0.0032154 k( 140) = ( 0.3333333 0.0973335 0.0593923), wk = 0.0032154 k( 141) = ( 0.3125000 0.0912501 0.0556803), wk = 0.0032154 k( 142) = ( 0.2916667 0.0851668 0.0519683), wk = 0.0032154 k( 143) = ( 0.2708333 0.0790835 0.0482563), wk = 0.0032154 k( 144) = ( 0.2500000 0.0730001 0.0445443), wk = 0.0032154 k( 145) = ( 0.2291667 0.0669168 0.0408322), wk = 0.0032154 k( 146) = ( 0.2083333 0.0608334 0.0371202), wk = 0.0032154 k( 147) = ( 0.1875000 0.0547501 0.0334082), wk = 0.0032154 k( 148) = ( 0.1666667 0.0486667 0.0296962), wk = 0.0032154 k( 149) = ( 0.1458333 0.0425834 0.0259841), wk = 0.0032154 k( 150) = ( 0.1250000 0.0365001 0.0222721), wk = 0.0032154 k( 151) = ( 0.1041667 0.0304167 0.0185601), wk = 0.0032154 k( 152) = ( 0.0833333 0.0243334 0.0148481), wk = 0.0032154 k( 153) = ( 0.0625000 0.0182500 0.0111361), wk = 0.0032154 k( 154) = ( 0.0416667 0.0121667 0.0074240), wk = 0.0032154 k( 155) = ( 0.0208333 0.0060833 0.0037120), wk = 0.0032154 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 158) = ( 0.0062379 -0.0097706 -0.0189973), wk = 0.0032154 k( 159) = ( 0.0124758 -0.0195412 -0.0379946), wk = 0.0032154 k( 160) = ( 0.0187137 -0.0293117 -0.0569919), wk = 0.0032154 k( 161) = ( 0.0249516 -0.0390823 -0.0759892), wk = 0.0032154 k( 162) = ( 0.0311895 -0.0488529 -0.0949865), wk = 0.0032154 k( 163) = ( 0.0374274 -0.0586235 -0.1139838), wk = 0.0032154 k( 164) = ( 0.0436653 -0.0683940 -0.1329811), wk = 0.0032154 k( 165) = ( 0.0499032 -0.0781646 -0.1519784), wk = 0.0032154 k( 166) = ( 0.0561411 -0.0879352 -0.1709757), wk = 0.0032154 k( 167) = ( 0.0623790 -0.0977058 -0.1899730), wk = 0.0032154 k( 168) = ( 0.0686169 -0.1074764 -0.2089703), wk = 0.0032154 k( 169) = ( 0.0748547 -0.1172469 -0.2279676), wk = 0.0032154 k( 170) = ( 0.0810927 -0.1270175 -0.2469649), wk = 0.0032154 k( 171) = ( 0.0873305 -0.1367881 -0.2659622), wk = 0.0032154 k( 172) = ( 0.0935684 -0.1465587 -0.2849595), wk = 0.0032154 k( 173) = ( 0.0998063 -0.1563292 -0.3039568), wk = 0.0032154 k( 174) = ( 0.1060442 -0.1660998 -0.3229541), wk = 0.0032154 k( 175) = ( 0.1122821 -0.1758704 -0.3419514), wk = 0.0032154 k( 176) = ( 0.1185200 -0.1856410 -0.3609487), wk = 0.0032154 k( 177) = ( 0.1247579 -0.1954115 -0.3799460), wk = 0.0032154 k( 178) = ( 0.1309958 -0.2051821 -0.3989433), wk = 0.0032154 k( 179) = ( 0.1372337 -0.2149527 -0.4179406), wk = 0.0032154 k( 180) = ( 0.1434716 -0.2247233 -0.4369380), wk = 0.0032154 k( 181) = ( 0.1497095 -0.2344939 -0.4559352), wk = 0.0032154 k( 182) = ( 0.1559474 -0.2442644 -0.4749326), wk = 0.0032154 k( 183) = ( 0.1621853 -0.2540350 -0.4939298), wk = 0.0032154 k( 184) = ( 0.1684232 -0.2638056 -0.5129272), wk = 0.0032154 k( 185) = ( 0.1746611 -0.2735762 -0.5319245), wk = 0.0032154 k( 186) = ( 0.1808990 -0.2833467 -0.5509218), wk = 0.0032154 k( 187) = ( 0.1871369 -0.2931173 -0.5699191), wk = 0.0032154 k( 188) = ( 0.1933748 -0.3028879 -0.5889164), wk = 0.0032154 k( 189) = ( 0.1996127 -0.3126585 -0.6079137), wk = 0.0032154 k( 190) = ( 0.2058506 -0.3224291 -0.6269110), wk = 0.0032154 k( 191) = ( 0.2120885 -0.3321996 -0.6459083), wk = 0.0032154 k( 192) = ( 0.2183264 -0.3419702 -0.6649056), wk = 0.0032154 k( 193) = ( 0.2245642 -0.3517408 -0.6839029), wk = 0.0032154 k( 194) = ( 0.2308022 -0.3615114 -0.7029002), wk = 0.0032154 k( 195) = ( 0.2370401 -0.3712819 -0.7218975), wk = 0.0032154 k( 196) = ( 0.2432779 -0.3810525 -0.7408948), wk = 0.0032154 k( 197) = ( 0.2495158 -0.3908231 -0.7598921), wk = 0.0032154 k( 198) = ( 0.2557537 -0.4005937 -0.7788894), wk = 0.0032154 k( 199) = ( 0.2619916 -0.4103642 -0.7978867), wk = 0.0032154 k( 200) = ( 0.2682295 -0.4201348 -0.8168840), wk = 0.0032154 k( 201) = ( 0.2744674 -0.4299054 -0.8358813), wk = 0.0032154 k( 202) = ( 0.2807053 -0.4396760 -0.8548786), wk = 0.0032154 k( 203) = ( 0.2869432 -0.4494466 -0.8738759), wk = 0.0032154 k( 204) = ( 0.2931811 -0.4592171 -0.8928732), wk = 0.0032154 k( 205) = ( 0.2994190 -0.4689877 -0.9118705), wk = 0.0032154 k( 206) = ( 0.3056569 -0.4787583 -0.9308678), wk = 0.0032154 k( 207) = ( 0.3118948 -0.4885289 -0.9498651), wk = 0.0032154 k( 208) = ( 0.3181327 -0.4982994 -0.9688624), wk = 0.0032154 k( 209) = ( 0.3243706 -0.5080700 -0.9878597), wk = 0.0032154 k( 210) = ( 0.3306085 -0.5178406 -1.0068570), wk = 0.0032154 k( 211) = ( 0.3368464 -0.5276112 -1.0258543), wk = 0.0032154 k( 212) = ( 0.3430843 -0.5373818 -1.0448516), wk = 0.0032154 k( 213) = ( 0.6569157 -0.3913815 -0.9557631), wk = 0.0032154 k( 214) = ( 0.6508805 -0.3707130 -0.9557631), wk = 0.0032154 k( 215) = ( 0.6448453 -0.3500445 -0.9557631), wk = 0.0032154 k( 216) = ( 0.6388101 -0.3293759 -0.9557631), wk = 0.0032154 k( 217) = ( 0.6327748 -0.3087074 -0.9557631), wk = 0.0032154 k( 218) = ( 0.6267396 -0.2880389 -0.9557631), wk = 0.0032154 k( 219) = ( 0.6207044 -0.2673703 -0.9557631), wk = 0.0032154 k( 220) = ( 0.6146692 -0.2467018 -0.9557631), wk = 0.0032154 k( 221) = ( 0.6086340 -0.2260333 -0.9557631), wk = 0.0032154 k( 222) = ( 0.6025987 -0.2053648 -0.9557631), wk = 0.0032154 k( 223) = ( 0.5965635 -0.1846962 -0.9557631), wk = 0.0032154 k( 224) = ( 0.5905283 -0.1640277 -0.9557631), wk = 0.0032154 k( 225) = ( 0.5844931 -0.1433592 -0.9557631), wk = 0.0032154 k( 226) = ( 0.5784579 -0.1226906 -0.9557631), wk = 0.0032154 k( 227) = ( 0.5724226 -0.1020221 -0.9557631), wk = 0.0032154 k( 228) = ( 0.5663874 -0.0813536 -0.9557631), wk = 0.0032154 k( 229) = ( 0.5603522 -0.0606851 -0.9557631), wk = 0.0032154 k( 230) = ( 0.5543170 -0.0400165 -0.9557631), wk = 0.0032154 k( 231) = ( 0.5482818 -0.0193480 -0.9557631), wk = 0.0032154 k( 232) = ( 0.5422465 0.0013205 -0.9557631), wk = 0.0032154 k( 233) = ( 0.5362113 0.0219891 -0.9557631), wk = 0.0032154 k( 234) = ( 0.5301761 0.0426576 -0.9557631), wk = 0.0032154 k( 235) = ( 0.5241409 0.0633261 -0.9557631), wk = 0.0032154 k( 236) = ( 0.5181057 0.0839946 -0.9557631), wk = 0.0032154 k( 237) = ( 0.5120704 0.1046632 -0.9557631), wk = 0.0032154 k( 238) = ( 0.5060352 0.1253317 -0.9557631), wk = 0.0032154 k( 239) = ( 0.5000000 0.1460002 -0.9557631), wk = 0.0032154 k( 240) = ( 0.5000000 0.1460002 -0.9557631), wk = 0.0032154 k( 241) = ( 0.5174351 0.1510913 -0.9458644), wk = 0.0032154 k( 242) = ( 0.5348702 0.1561823 -0.9359657), wk = 0.0032154 k( 243) = ( 0.5523052 0.1612734 -0.9260669), wk = 0.0032154 k( 244) = ( 0.5697403 0.1663644 -0.9161682), wk = 0.0032154 k( 245) = ( 0.5871754 0.1714555 -0.9062695), wk = 0.0032154 k( 246) = ( 0.6046105 0.1765465 -0.8963708), wk = 0.0032154 k( 247) = ( 0.6220456 0.1816376 -0.8864720), wk = 0.0032154 k( 248) = ( 0.6394806 0.1867286 -0.8765733), wk = 0.0032154 k( 249) = ( 0.6569157 0.1918197 -0.8666746), wk = 0.0032154 k( 250) = ( 0.6569157 0.1918197 -0.8666746), wk = 0.0032154 k( 251) = ( 0.6533495 0.1907783 -0.8449527), wk = 0.0032154 k( 252) = ( 0.6497832 0.1897370 -0.8232308), wk = 0.0032154 k( 253) = ( 0.6462169 0.1886956 -0.8015089), wk = 0.0032154 k( 254) = ( 0.6426507 0.1876543 -0.7797870), wk = 0.0032154 k( 255) = ( 0.6390844 0.1866129 -0.7580651), wk = 0.0032154 k( 256) = ( 0.6355181 0.1855716 -0.7363433), wk = 0.0032154 k( 257) = ( 0.6319519 0.1845302 -0.7146214), wk = 0.0032154 k( 258) = ( 0.6283856 0.1834889 -0.6928995), wk = 0.0032154 k( 259) = ( 0.6248193 0.1824475 -0.6711776), wk = 0.0032154 k( 260) = ( 0.6212531 0.1814062 -0.6494557), wk = 0.0032154 k( 261) = ( 0.6176868 0.1803648 -0.6277338), wk = 0.0032154 k( 262) = ( 0.6141205 0.1793235 -0.6060119), wk = 0.0032154 k( 263) = ( 0.6105543 0.1782821 -0.5842900), wk = 0.0032154 k( 264) = ( 0.6069880 0.1772408 -0.5625682), wk = 0.0032154 k( 265) = ( 0.6034217 0.1761994 -0.5408463), wk = 0.0032154 k( 266) = ( 0.5998555 0.1751581 -0.5191244), wk = 0.0032154 k( 267) = ( 0.5962892 0.1741167 -0.4974025), wk = 0.0032154 k( 268) = ( 0.5927229 0.1730754 -0.4756806), wk = 0.0032154 k( 269) = ( 0.5891567 0.1720340 -0.4539587), wk = 0.0032154 k( 270) = ( 0.5855904 0.1709927 -0.4322368), wk = 0.0032154 k( 271) = ( 0.5820241 0.1699513 -0.4105149), wk = 0.0032154 k( 272) = ( 0.5784579 0.1689100 -0.3887930), wk = 0.0032154 k( 273) = ( 0.5748916 0.1678686 -0.3670712), wk = 0.0032154 k( 274) = ( 0.5713253 0.1668273 -0.3453493), wk = 0.0032154 k( 275) = ( 0.5677591 0.1657859 -0.3236274), wk = 0.0032154 k( 276) = ( 0.5641928 0.1647446 -0.3019055), wk = 0.0032154 k( 277) = ( 0.5606265 0.1637032 -0.2801836), wk = 0.0032154 k( 278) = ( 0.5570603 0.1626619 -0.2584617), wk = 0.0032154 k( 279) = ( 0.5534940 0.1616205 -0.2367398), wk = 0.0032154 k( 280) = ( 0.5499277 0.1605792 -0.2150179), wk = 0.0032154 k( 281) = ( 0.5463615 0.1595378 -0.1932960), wk = 0.0032154 k( 282) = ( 0.5427952 0.1584965 -0.1715741), wk = 0.0032154 k( 283) = ( 0.5392289 0.1574551 -0.1498523), wk = 0.0032154 k( 284) = ( 0.5356627 0.1564137 -0.1281304), wk = 0.0032154 k( 285) = ( 0.5320964 0.1553724 -0.1064085), wk = 0.0032154 k( 286) = ( 0.5285301 0.1543310 -0.0846866), wk = 0.0032154 k( 287) = ( 0.5249639 0.1532897 -0.0629647), wk = 0.0032154 k( 288) = ( 0.5213976 0.1522483 -0.0412428), wk = 0.0032154 k( 289) = ( 0.5178313 0.1512070 -0.0195209), wk = 0.0032154 k( 290) = ( 0.5142651 0.1501656 0.0022010), wk = 0.0032154 k( 291) = ( 0.5106988 0.1491243 0.0239228), wk = 0.0032154 k( 292) = ( 0.5071325 0.1480829 0.0456447), wk = 0.0032154 k( 293) = ( 0.5035663 0.1470416 0.0673666), wk = 0.0032154 k( 294) = ( 0.5000000 0.1460002 0.0890885), wk = 0.0032154 k( 295) = ( 0.5000000 -0.7831629 -0.4778816), wk = 0.0032154 k( 296) = ( 0.5196145 -0.7740379 -0.4723135), wk = 0.0032154 k( 297) = ( 0.5392289 -0.7649129 -0.4667455), wk = 0.0032154 k( 298) = ( 0.5588434 -0.7557879 -0.4611775), wk = 0.0032154 k( 299) = ( 0.5784579 -0.7466628 -0.4556094), wk = 0.0032154 k( 300) = ( 0.5980723 -0.7375378 -0.4500414), wk = 0.0032154 k( 301) = ( 0.6176868 -0.7284128 -0.4444734), wk = 0.0032154 k( 302) = ( 0.6373013 -0.7192878 -0.4389053), wk = 0.0032154 k( 303) = ( 0.6569157 -0.7101628 -0.4333373), wk = 0.0032154 k( 304) = ( 0.6765302 -0.7010378 -0.4277693), wk = 0.0032154 k( 305) = ( 0.6961447 -0.6919128 -0.4222012), wk = 0.0032154 k( 306) = ( 0.7157591 -0.6827877 -0.4166332), wk = 0.0032154 k( 307) = ( 0.7353736 -0.6736627 -0.4110652), wk = 0.0032154 k( 308) = ( 0.7549881 -0.6645377 -0.4054971), wk = 0.0032154 k( 309) = ( 0.7746025 -0.6554127 -0.3999291), wk = 0.0032154 k( 310) = ( 0.7942170 -0.6462877 -0.3943611), wk = 0.0032154 k( 311) = ( 0.8138315 -0.6371627 -0.3887930), wk = 0.0032154 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0032154 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0032154 k( 4) = ( 0.0319149 -0.0000000 0.0000000), wk = 0.0032154 k( 5) = ( 0.0425532 0.0000000 0.0000000), wk = 0.0032154 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0032154 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0032154 k( 8) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0032154 k( 9) = ( 0.0851064 0.0000000 0.0000000), wk = 0.0032154 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0032154 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0032154 k( 12) = ( 0.1170213 0.0000000 0.0000000), wk = 0.0032154 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0032154 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0032154 k( 15) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0032154 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0032154 k( 17) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0032154 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0032154 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0032154 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0032154 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0032154 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0032154 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0032154 k( 24) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0032154 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0032154 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0032154 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0032154 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0032154 k( 29) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0032154 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0032154 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0032154 k( 32) = ( 0.3297872 -0.0000000 0.0000000), wk = 0.0032154 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0032154 k( 34) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0032154 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0032154 k( 36) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0032154 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0032154 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0032154 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0032154 k( 40) = ( 0.4148936 -0.0000000 0.0000000), wk = 0.0032154 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0032154 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0032154 k( 43) = ( 0.4468085 0.0000000 -0.0000000), wk = 0.0032154 k( 44) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0032154 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0032154 k( 46) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0032154 k( 47) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0032154 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032154 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032154 k( 50) = ( 0.5000000 0.0062056 -0.0062056), wk = 0.0032154 k( 51) = ( 0.5000000 0.0124112 -0.0124112), wk = 0.0032154 k( 52) = ( 0.5000000 0.0186169 -0.0186169), wk = 0.0032154 k( 53) = ( 0.5000000 0.0248225 -0.0248225), wk = 0.0032154 k( 54) = ( 0.5000000 0.0310281 -0.0310281), wk = 0.0032154 k( 55) = ( 0.5000000 0.0372337 -0.0372337), wk = 0.0032154 k( 56) = ( 0.5000000 0.0434393 -0.0434393), wk = 0.0032154 k( 57) = ( 0.5000000 0.0496450 -0.0496449), wk = 0.0032154 k( 58) = ( 0.5000000 0.0558506 -0.0558506), wk = 0.0032154 k( 59) = ( 0.5000000 0.0620562 -0.0620562), wk = 0.0032154 k( 60) = ( 0.5000000 0.0682618 -0.0682618), wk = 0.0032154 k( 61) = ( 0.5000000 0.0744674 -0.0744674), wk = 0.0032154 k( 62) = ( 0.5000000 0.0806730 -0.0806730), wk = 0.0032154 k( 63) = ( 0.5000000 0.0868787 -0.0868787), wk = 0.0032154 k( 64) = ( 0.5000000 0.0930843 -0.0930843), wk = 0.0032154 k( 65) = ( 0.5000000 0.0992899 -0.0992899), wk = 0.0032154 k( 66) = ( 0.5000000 0.1054955 -0.1054955), wk = 0.0032154 k( 67) = ( 0.5000000 0.1117011 -0.1117011), wk = 0.0032154 k( 68) = ( 0.5000000 0.1179068 -0.1179067), wk = 0.0032154 k( 69) = ( 0.5000000 0.1241124 -0.1241124), wk = 0.0032154 k( 70) = ( 0.5000000 0.1303180 -0.1303180), wk = 0.0032154 k( 71) = ( 0.5000000 0.1365236 -0.1365236), wk = 0.0032154 k( 72) = ( 0.5000000 0.1427292 -0.1427292), wk = 0.0032154 k( 73) = ( 0.5000000 0.1489348 -0.1489348), wk = 0.0032154 k( 74) = ( 0.5000000 0.1551405 -0.1551405), wk = 0.0032154 k( 75) = ( 0.5000000 0.1613461 -0.1613461), wk = 0.0032154 k( 76) = ( 0.5000000 0.1675517 -0.1675517), wk = 0.0032154 k( 77) = ( 0.5000000 0.1737573 -0.1737573), wk = 0.0032154 k( 78) = ( 0.5000000 0.1799629 -0.1799629), wk = 0.0032154 k( 79) = ( 0.5000000 0.1861686 -0.1861685), wk = 0.0032154 k( 80) = ( 0.8138315 0.5000000 0.1861685), wk = 0.0032154 k( 81) = ( 0.8076779 0.5000000 0.1923221), wk = 0.0032154 k( 82) = ( 0.8015243 0.5000000 0.1984757), wk = 0.0032154 k( 83) = ( 0.7953708 0.5000000 0.2046292), wk = 0.0032154 k( 84) = ( 0.7892172 0.5000000 0.2107828), wk = 0.0032154 k( 85) = ( 0.7830637 0.5000000 0.2169363), wk = 0.0032154 k( 86) = ( 0.7769101 0.5000000 0.2230899), wk = 0.0032154 k( 87) = ( 0.7707565 0.5000000 0.2292435), wk = 0.0032154 k( 88) = ( 0.7646030 0.5000000 0.2353970), wk = 0.0032154 k( 89) = ( 0.7584494 0.5000000 0.2415506), wk = 0.0032154 k( 90) = ( 0.7522959 0.5000000 0.2477041), wk = 0.0032154 k( 91) = ( 0.7461423 0.5000000 0.2538577), wk = 0.0032154 k( 92) = ( 0.7399887 0.5000000 0.2600112), wk = 0.0032154 k( 93) = ( 0.7338352 0.5000000 0.2661648), wk = 0.0032154 k( 94) = ( 0.7276816 0.5000000 0.2723184), wk = 0.0032154 k( 95) = ( 0.7215281 0.5000000 0.2784719), wk = 0.0032154 k( 96) = ( 0.7153745 0.5000000 0.2846255), wk = 0.0032154 k( 97) = ( 0.7092210 0.5000000 0.2907790), wk = 0.0032154 k( 98) = ( 0.7030674 0.5000000 0.2969326), wk = 0.0032154 k( 99) = ( 0.6969138 0.5000000 0.3030862), wk = 0.0032154 k( 100) = ( 0.6907603 0.5000000 0.3092397), wk = 0.0032154 k( 101) = ( 0.6846067 0.5000000 0.3153933), wk = 0.0032154 k( 102) = ( 0.6784532 0.5000000 0.3215468), wk = 0.0032154 k( 103) = ( 0.6722996 0.5000000 0.3277004), wk = 0.0032154 k( 104) = ( 0.6661461 0.5000000 0.3338539), wk = 0.0032154 k( 105) = ( 0.6599925 0.5000000 0.3400075), wk = 0.0032154 k( 106) = ( 0.6538389 0.5000000 0.3461611), wk = 0.0032154 k( 107) = ( 0.6476854 0.5000000 0.3523146), wk = 0.0032154 k( 108) = ( 0.6415318 0.5000000 0.3584682), wk = 0.0032154 k( 109) = ( 0.6353783 0.5000000 0.3646217), wk = 0.0032154 k( 110) = ( 0.6292247 0.5000000 0.3707753), wk = 0.0032154 k( 111) = ( 0.6230712 0.5000000 0.3769288), wk = 0.0032154 k( 112) = ( 0.6169176 0.5000000 0.3830824), wk = 0.0032154 k( 113) = ( 0.6107640 0.5000000 0.3892360), wk = 0.0032154 k( 114) = ( 0.6046105 0.5000000 0.3953895), wk = 0.0032154 k( 115) = ( 0.5984569 0.5000000 0.4015431), wk = 0.0032154 k( 116) = ( 0.5923034 0.5000000 0.4076966), wk = 0.0032154 k( 117) = ( 0.5861498 0.5000000 0.4138502), wk = 0.0032154 k( 118) = ( 0.5799962 0.5000000 0.4200038), wk = 0.0032154 k( 119) = ( 0.5738427 0.5000000 0.4261573), wk = 0.0032154 k( 120) = ( 0.5676891 0.5000000 0.4323109), wk = 0.0032154 k( 121) = ( 0.5615356 0.5000000 0.4384644), wk = 0.0032154 k( 122) = ( 0.5553820 0.5000000 0.4446180), wk = 0.0032154 k( 123) = ( 0.5492285 0.5000000 0.4507715), wk = 0.0032154 k( 124) = ( 0.5430749 0.5000000 0.4569251), wk = 0.0032154 k( 125) = ( 0.5369213 0.5000000 0.4630786), wk = 0.0032154 k( 126) = ( 0.5307678 0.5000000 0.4692322), wk = 0.0032154 k( 127) = ( 0.5246142 0.5000000 0.4753858), wk = 0.0032154 k( 128) = ( 0.5184607 0.5000000 0.4815393), wk = 0.0032154 k( 129) = ( 0.5123071 0.5000000 0.4876929), wk = 0.0032154 k( 130) = ( 0.5061536 0.5000000 0.4938464), wk = 0.0032154 k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 133) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0032154 k( 134) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0032154 k( 135) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032154 k( 136) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0032154 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0032154 k( 138) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032154 k( 139) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0032154 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032154 k( 141) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032154 k( 142) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0032154 k( 143) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0032154 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032154 k( 145) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0032154 k( 146) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0032154 k( 147) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032154 k( 148) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032154 k( 149) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0032154 k( 150) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032154 k( 151) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0032154 k( 152) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0032154 k( 153) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032154 k( 154) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0032154 k( 155) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0032154 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 158) = ( 0.0062379 -0.0000000 -0.0062379), wk = 0.0032154 k( 159) = ( 0.0124758 0.0000000 -0.0124758), wk = 0.0032154 k( 160) = ( 0.0187137 0.0000000 -0.0187137), wk = 0.0032154 k( 161) = ( 0.0249516 0.0000000 -0.0249516), wk = 0.0032154 k( 162) = ( 0.0311895 0.0000000 -0.0311895), wk = 0.0032154 k( 163) = ( 0.0374274 0.0000000 -0.0374274), wk = 0.0032154 k( 164) = ( 0.0436653 -0.0000000 -0.0436653), wk = 0.0032154 k( 165) = ( 0.0499032 0.0000000 -0.0499032), wk = 0.0032154 k( 166) = ( 0.0561411 0.0000000 -0.0561411), wk = 0.0032154 k( 167) = ( 0.0623790 0.0000000 -0.0623790), wk = 0.0032154 k( 168) = ( 0.0686169 0.0000000 -0.0686169), wk = 0.0032154 k( 169) = ( 0.0748547 0.0000000 -0.0748547), wk = 0.0032154 k( 170) = ( 0.0810927 0.0000000 -0.0810926), wk = 0.0032154 k( 171) = ( 0.0873305 -0.0000000 -0.0873305), wk = 0.0032154 k( 172) = ( 0.0935684 0.0000000 -0.0935684), wk = 0.0032154 k( 173) = ( 0.0998063 0.0000000 -0.0998063), wk = 0.0032154 k( 174) = ( 0.1060442 0.0000000 -0.1060442), wk = 0.0032154 k( 175) = ( 0.1122821 0.0000000 -0.1122821), wk = 0.0032154 k( 176) = ( 0.1185200 0.0000000 -0.1185200), wk = 0.0032154 k( 177) = ( 0.1247579 0.0000000 -0.1247579), wk = 0.0032154 k( 178) = ( 0.1309958 0.0000000 -0.1309958), wk = 0.0032154 k( 179) = ( 0.1372337 0.0000000 -0.1372337), wk = 0.0032154 k( 180) = ( 0.1434716 0.0000000 -0.1434716), wk = 0.0032154 k( 181) = ( 0.1497095 0.0000000 -0.1497095), wk = 0.0032154 k( 182) = ( 0.1559474 0.0000000 -0.1559474), wk = 0.0032154 k( 183) = ( 0.1621853 0.0000000 -0.1621853), wk = 0.0032154 k( 184) = ( 0.1684232 0.0000000 -0.1684232), wk = 0.0032154 k( 185) = ( 0.1746611 0.0000000 -0.1746611), wk = 0.0032154 k( 186) = ( 0.1808990 0.0000000 -0.1808990), wk = 0.0032154 k( 187) = ( 0.1871369 0.0000000 -0.1871369), wk = 0.0032154 k( 188) = ( 0.1933748 -0.0000000 -0.1933748), wk = 0.0032154 k( 189) = ( 0.1996127 0.0000000 -0.1996127), wk = 0.0032154 k( 190) = ( 0.2058506 0.0000000 -0.2058506), wk = 0.0032154 k( 191) = ( 0.2120885 0.0000000 -0.2120885), wk = 0.0032154 k( 192) = ( 0.2183264 0.0000000 -0.2183264), wk = 0.0032154 k( 193) = ( 0.2245642 0.0000000 -0.2245642), wk = 0.0032154 k( 194) = ( 0.2308022 0.0000000 -0.2308021), wk = 0.0032154 k( 195) = ( 0.2370401 -0.0000000 -0.2370400), wk = 0.0032154 k( 196) = ( 0.2432779 0.0000000 -0.2432779), wk = 0.0032154 k( 197) = ( 0.2495158 0.0000000 -0.2495158), wk = 0.0032154 k( 198) = ( 0.2557537 0.0000000 -0.2557537), wk = 0.0032154 k( 199) = ( 0.2619916 0.0000000 -0.2619916), wk = 0.0032154 k( 200) = ( 0.2682295 0.0000000 -0.2682295), wk = 0.0032154 k( 201) = ( 0.2744674 0.0000000 -0.2744674), wk = 0.0032154 k( 202) = ( 0.2807053 0.0000000 -0.2807053), wk = 0.0032154 k( 203) = ( 0.2869432 0.0000000 -0.2869432), wk = 0.0032154 k( 204) = ( 0.2931811 0.0000000 -0.2931811), wk = 0.0032154 k( 205) = ( 0.2994190 0.0000000 -0.2994190), wk = 0.0032154 k( 206) = ( 0.3056569 -0.0000000 -0.3056569), wk = 0.0032154 k( 207) = ( 0.3118948 0.0000000 -0.3118948), wk = 0.0032154 k( 208) = ( 0.3181327 0.0000000 -0.3181327), wk = 0.0032154 k( 209) = ( 0.3243706 0.0000000 -0.3243706), wk = 0.0032154 k( 210) = ( 0.3306085 0.0000000 -0.3306085), wk = 0.0032154 k( 211) = ( 0.3368464 0.0000000 -0.3368464), wk = 0.0032154 k( 212) = ( 0.3430843 0.0000000 -0.3430843), wk = 0.0032154 k( 213) = ( 0.6569157 0.3430843 0.0000000), wk = 0.0032154 k( 214) = ( 0.6508805 0.3491195 0.0000000), wk = 0.0032154 k( 215) = ( 0.6448453 0.3551547 0.0000000), wk = 0.0032154 k( 216) = ( 0.6388101 0.3611899 0.0000000), wk = 0.0032154 k( 217) = ( 0.6327748 0.3672252 0.0000000), wk = 0.0032154 k( 218) = ( 0.6267396 0.3732604 0.0000000), wk = 0.0032154 k( 219) = ( 0.6207044 0.3792956 0.0000000), wk = 0.0032154 k( 220) = ( 0.6146692 0.3853308 0.0000000), wk = 0.0032154 k( 221) = ( 0.6086340 0.3913660 0.0000000), wk = 0.0032154 k( 222) = ( 0.6025987 0.3974013 0.0000000), wk = 0.0032154 k( 223) = ( 0.5965635 0.4034365 0.0000000), wk = 0.0032154 k( 224) = ( 0.5905283 0.4094717 0.0000000), wk = 0.0032154 k( 225) = ( 0.5844931 0.4155069 0.0000000), wk = 0.0032154 k( 226) = ( 0.5784579 0.4215421 0.0000000), wk = 0.0032154 k( 227) = ( 0.5724226 0.4275774 0.0000000), wk = 0.0032154 k( 228) = ( 0.5663874 0.4336126 0.0000000), wk = 0.0032154 k( 229) = ( 0.5603522 0.4396478 0.0000000), wk = 0.0032154 k( 230) = ( 0.5543170 0.4456830 0.0000000), wk = 0.0032154 k( 231) = ( 0.5482818 0.4517182 0.0000000), wk = 0.0032154 k( 232) = ( 0.5422465 0.4577535 0.0000000), wk = 0.0032154 k( 233) = ( 0.5362113 0.4637887 0.0000000), wk = 0.0032154 k( 234) = ( 0.5301761 0.4698239 0.0000000), wk = 0.0032154 k( 235) = ( 0.5241409 0.4758591 0.0000000), wk = 0.0032154 k( 236) = ( 0.5181057 0.4818943 0.0000000), wk = 0.0032154 k( 237) = ( 0.5120704 0.4879296 0.0000000), wk = 0.0032154 k( 238) = ( 0.5060352 0.4939648 0.0000000), wk = 0.0032154 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032154 k( 240) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032154 k( 241) = ( 0.5174351 0.5174351 0.0206854), wk = 0.0032154 k( 242) = ( 0.5348702 0.5348702 0.0413708), wk = 0.0032154 k( 243) = ( 0.5523052 0.5523052 0.0620562), wk = 0.0032154 k( 244) = ( 0.5697403 0.5697403 0.0827416), wk = 0.0032154 k( 245) = ( 0.5871754 0.5871754 0.1034270), wk = 0.0032154 k( 246) = ( 0.6046105 0.6046105 0.1241124), wk = 0.0032154 k( 247) = ( 0.6220456 0.6220456 0.1447978), wk = 0.0032154 k( 248) = ( 0.6394806 0.6394806 0.1654832), wk = 0.0032154 k( 249) = ( 0.6569157 0.6569157 0.1861686), wk = 0.0032154 k( 250) = ( 0.6569157 0.6569157 0.1861686), wk = 0.0032154 k( 251) = ( 0.6533495 0.6533495 0.1933011), wk = 0.0032154 k( 252) = ( 0.6497832 0.6497832 0.2004336), wk = 0.0032154 k( 253) = ( 0.6462169 0.6462169 0.2075662), wk = 0.0032154 k( 254) = ( 0.6426507 0.6426507 0.2146987), wk = 0.0032154 k( 255) = ( 0.6390844 0.6390844 0.2218312), wk = 0.0032154 k( 256) = ( 0.6355181 0.6355181 0.2289637), wk = 0.0032154 k( 257) = ( 0.6319519 0.6319519 0.2360963), wk = 0.0032154 k( 258) = ( 0.6283856 0.6283856 0.2432288), wk = 0.0032154 k( 259) = ( 0.6248193 0.6248193 0.2503614), wk = 0.0032154 k( 260) = ( 0.6212531 0.6212531 0.2574939), wk = 0.0032154 k( 261) = ( 0.6176868 0.6176868 0.2646264), wk = 0.0032154 k( 262) = ( 0.6141205 0.6141205 0.2717590), wk = 0.0032154 k( 263) = ( 0.6105543 0.6105543 0.2788915), wk = 0.0032154 k( 264) = ( 0.6069880 0.6069880 0.2860240), wk = 0.0032154 k( 265) = ( 0.6034217 0.6034217 0.2931566), wk = 0.0032154 k( 266) = ( 0.5998555 0.5998555 0.3002891), wk = 0.0032154 k( 267) = ( 0.5962892 0.5962892 0.3074216), wk = 0.0032154 k( 268) = ( 0.5927229 0.5927229 0.3145542), wk = 0.0032154 k( 269) = ( 0.5891567 0.5891567 0.3216867), wk = 0.0032154 k( 270) = ( 0.5855904 0.5855904 0.3288192), wk = 0.0032154 k( 271) = ( 0.5820241 0.5820241 0.3359517), wk = 0.0032154 k( 272) = ( 0.5784579 0.5784579 0.3430843), wk = 0.0032154 k( 273) = ( 0.5748916 0.5748916 0.3502168), wk = 0.0032154 k( 274) = ( 0.5713253 0.5713253 0.3573493), wk = 0.0032154 k( 275) = ( 0.5677591 0.5677591 0.3644819), wk = 0.0032154 k( 276) = ( 0.5641928 0.5641928 0.3716144), wk = 0.0032154 k( 277) = ( 0.5606265 0.5606265 0.3787469), wk = 0.0032154 k( 278) = ( 0.5570603 0.5570603 0.3858795), wk = 0.0032154 k( 279) = ( 0.5534940 0.5534940 0.3930120), wk = 0.0032154 k( 280) = ( 0.5499277 0.5499277 0.4001445), wk = 0.0032154 k( 281) = ( 0.5463615 0.5463615 0.4072771), wk = 0.0032154 k( 282) = ( 0.5427952 0.5427952 0.4144096), wk = 0.0032154 k( 283) = ( 0.5392289 0.5392289 0.4215421), wk = 0.0032154 k( 284) = ( 0.5356627 0.5356627 0.4286747), wk = 0.0032154 k( 285) = ( 0.5320964 0.5320964 0.4358072), wk = 0.0032154 k( 286) = ( 0.5285301 0.5285301 0.4429397), wk = 0.0032154 k( 287) = ( 0.5249639 0.5249639 0.4500723), wk = 0.0032154 k( 288) = ( 0.5213976 0.5213976 0.4572048), wk = 0.0032154 k( 289) = ( 0.5178313 0.5178313 0.4643373), wk = 0.0032154 k( 290) = ( 0.5142651 0.5142651 0.4714699), wk = 0.0032154 k( 291) = ( 0.5106988 0.5106988 0.4786024), wk = 0.0032154 k( 292) = ( 0.5071325 0.5071325 0.4857349), wk = 0.0032154 k( 293) = ( 0.5035663 0.5035663 0.4928675), wk = 0.0032154 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 295) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032154 k( 296) = ( 0.5196145 0.0214428 0.0214428), wk = 0.0032154 k( 297) = ( 0.5392289 0.0428855 0.0428855), wk = 0.0032154 k( 298) = ( 0.5588434 0.0643283 0.0643283), wk = 0.0032154 k( 299) = ( 0.5784579 0.0857711 0.0857711), wk = 0.0032154 k( 300) = ( 0.5980723 0.1072138 0.1072138), wk = 0.0032154 k( 301) = ( 0.6176868 0.1286566 0.1286566), wk = 0.0032154 k( 302) = ( 0.6373013 0.1500994 0.1500994), wk = 0.0032154 k( 303) = ( 0.6569157 0.1715421 0.1715421), wk = 0.0032154 k( 304) = ( 0.6765302 0.1929849 0.1929849), wk = 0.0032154 k( 305) = ( 0.6961447 0.2144277 0.2144277), wk = 0.0032154 k( 306) = ( 0.7157591 0.2358704 0.2358704), wk = 0.0032154 k( 307) = ( 0.7353736 0.2573132 0.2573132), wk = 0.0032154 k( 308) = ( 0.7549881 0.2787560 0.2787560), wk = 0.0032154 k( 309) = ( 0.7746025 0.3001987 0.3001987), wk = 0.0032154 k( 310) = ( 0.7942170 0.3216415 0.3216415), wk = 0.0032154 k( 311) = ( 0.8138315 0.3430843 0.3430843), wk = 0.0032154 Dense grid: 32585 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 25423 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 184, 44) NL pseudopotentials 0.13 Mb ( 92, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 905) G-vector shells 0.01 Mb ( 778) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 184, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./InAgSe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.8 secs Computing kpt #: 20 total cpu time spent up to now is 11.2 secs Computing kpt #: 21 total cpu time spent up to now is 11.7 secs Computing kpt #: 22 total cpu time spent up to now is 12.1 secs Computing kpt #: 23 total cpu time spent up to now is 12.5 secs Computing kpt #: 24 total cpu time spent up to now is 13.0 secs Computing kpt #: 25 total cpu time spent up to now is 13.4 secs Computing kpt #: 26 total cpu time spent up to now is 13.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.3 secs Computing kpt #: 28 total cpu time spent up to now is 14.8 secs Computing kpt #: 29 total cpu time spent up to now is 15.3 secs Computing kpt #: 30 total cpu time spent up to now is 15.8 secs Computing kpt #: 31 total cpu time spent up to now is 16.3 secs Computing kpt #: 32 total cpu time spent up to now is 16.9 secs Computing kpt #: 33 total cpu time spent up to now is 17.4 secs Computing kpt #: 34 total cpu time spent up to now is 17.9 secs Computing kpt #: 35 total cpu time spent up to now is 18.4 secs Computing kpt #: 36 total cpu time spent up to now is 19.0 secs Computing kpt #: 37 total cpu time spent up to now is 19.5 secs Computing kpt #: 38 total cpu time spent up to now is 20.0 secs Computing kpt #: 39 total cpu time spent up to now is 20.5 secs Computing kpt #: 40 total cpu time spent up to now is 21.0 secs Computing kpt #: 41 total cpu time spent up to now is 21.6 secs Computing kpt #: 42 total cpu time spent up to now is 22.1 secs Computing kpt #: 43 total cpu time spent up to now is 22.6 secs Computing kpt #: 44 total cpu time spent up to now is 23.1 secs Computing kpt #: 45 total cpu time spent up to now is 23.6 secs Computing kpt #: 46 total cpu time spent up to now is 24.1 secs Computing kpt #: 47 total cpu time spent up to now is 24.6 secs Computing kpt #: 48 total cpu time spent up to now is 25.1 secs Computing kpt #: 49 total cpu time spent up to now is 25.6 secs Computing kpt #: 50 total cpu time spent up to now is 26.1 secs Computing kpt #: 51 total cpu time spent up to now is 26.6 secs Computing kpt #: 52 total cpu time spent up to now is 27.1 secs Computing kpt #: 53 total cpu time spent up to now is 27.6 secs Computing kpt #: 54 total cpu time spent up to now is 28.1 secs Computing kpt #: 55 total cpu time spent up to now is 28.5 secs Computing kpt #: 56 total cpu time spent up to now is 29.0 secs Computing kpt #: 57 total cpu time spent up to now is 29.4 secs Computing kpt #: 58 total cpu time spent up to now is 29.8 secs Computing kpt #: 59 total cpu time spent up to now is 30.2 secs Computing kpt #: 60 total cpu time spent up to now is 30.5 secs Computing kpt #: 61 total cpu time spent up to now is 30.9 secs Computing kpt #: 62 total cpu time spent up to now is 31.3 secs Computing kpt #: 63 total cpu time spent up to now is 31.7 secs Computing kpt #: 64 total cpu time spent up to now is 32.1 secs Computing kpt #: 65 total cpu time spent up to now is 32.5 secs Computing kpt #: 66 total cpu time spent up to now is 32.9 secs Computing kpt #: 67 total cpu time spent up to now is 33.3 secs Computing kpt #: 68 total cpu time spent up to now is 33.7 secs Computing kpt #: 69 total cpu time spent up to now is 34.1 secs Computing kpt #: 70 total cpu time spent up to now is 34.5 secs Computing kpt #: 71 total cpu time spent up to now is 34.9 secs Computing kpt #: 72 total cpu time spent up to now is 35.3 secs Computing kpt #: 73 total cpu time spent up to now is 35.7 secs Computing kpt #: 74 total cpu time spent up to now is 36.1 secs Computing kpt #: 75 total cpu time spent up to now is 36.5 secs Computing kpt #: 76 total cpu time spent up to now is 36.9 secs Computing kpt #: 77 total cpu time spent up to now is 37.3 secs Computing kpt #: 78 total cpu time spent up to now is 37.7 secs Computing kpt #: 79 total cpu time spent up to now is 38.1 secs Computing kpt #: 80 total cpu time spent up to now is 38.5 secs Computing kpt #: 81 total cpu time spent up to now is 38.9 secs Computing kpt #: 82 total cpu time spent up to now is 39.4 secs Computing kpt #: 83 total cpu time spent up to now is 39.8 secs Computing kpt #: 84 total cpu time spent up to now is 40.2 secs Computing kpt #: 85 total cpu time spent up to now is 40.6 secs Computing kpt #: 86 total cpu time spent up to now is 41.0 secs Computing kpt #: 87 total cpu time spent up to now is 41.4 secs Computing kpt #: 88 total cpu time spent up to now is 41.8 secs Computing kpt #: 89 total cpu time spent up to now is 42.3 secs Computing kpt #: 90 total cpu time spent up to now is 42.7 secs Computing kpt #: 91 total cpu time spent up to now is 43.1 secs Computing kpt #: 92 total cpu time spent up to now is 43.5 secs Computing kpt #: 93 total cpu time spent up to now is 43.9 secs Computing kpt #: 94 total cpu time spent up to now is 44.3 secs Computing kpt #: 95 total cpu time spent up to now is 44.7 secs Computing kpt #: 96 total cpu time spent up to now is 45.2 secs Computing kpt #: 97 total cpu time spent up to now is 45.6 secs Computing kpt #: 98 total cpu time spent up to now is 46.0 secs Computing kpt #: 99 total cpu time spent up to now is 46.4 secs Computing kpt #: 100 total cpu time spent up to now is 46.8 secs Computing kpt #: 101 total cpu time spent up to now is 47.3 secs Computing kpt #: 102 total cpu time spent up to now is 47.7 secs Computing kpt #: 103 total cpu time spent up to now is 48.1 secs Computing kpt #: 104 total cpu time spent up to now is 48.5 secs Computing kpt #: 105 total cpu time spent up to now is 49.0 secs Computing kpt #: 106 total cpu time spent up to now is 49.4 secs Computing kpt #: 107 total cpu time spent up to now is 49.9 secs Computing kpt #: 108 total cpu time spent up to now is 50.3 secs Computing kpt #: 109 total cpu time spent up to now is 50.7 secs Computing kpt #: 110 total cpu time spent up to now is 51.2 secs Computing kpt #: 111 total cpu time spent up to now is 51.6 secs Computing kpt #: 112 total cpu time spent up to now is 52.0 secs Computing kpt #: 113 total cpu time spent up to now is 52.5 secs Computing kpt #: 114 total cpu time spent up to now is 52.9 secs Computing kpt #: 115 total cpu time spent up to now is 53.3 secs Computing kpt #: 116 total cpu time spent up to now is 53.8 secs Computing kpt #: 117 total cpu time spent up to now is 54.2 secs Computing kpt #: 118 total cpu time spent up to now is 54.7 secs Computing kpt #: 119 total cpu time spent up to now is 55.2 secs Computing kpt #: 120 total cpu time spent up to now is 55.6 secs Computing kpt #: 121 total cpu time spent up to now is 56.1 secs Computing kpt #: 122 total cpu time spent up to now is 56.6 secs Computing kpt #: 123 total cpu time spent up to now is 57.1 secs Computing kpt #: 124 total cpu time spent up to now is 57.6 secs Computing kpt #: 125 total cpu time spent up to now is 58.1 secs Computing kpt #: 126 total cpu time spent up to now is 58.5 secs Computing kpt #: 127 total cpu time spent up to now is 59.0 secs Computing kpt #: 128 total cpu time spent up to now is 59.6 secs Computing kpt #: 129 total cpu time spent up to now is 60.1 secs Computing kpt #: 130 total cpu time spent up to now is 60.6 secs Computing kpt #: 131 total cpu time spent up to now is 61.1 secs Computing kpt #: 132 total cpu time spent up to now is 61.5 secs Computing kpt #: 133 total cpu time spent up to now is 62.0 secs Computing kpt #: 134 total cpu time spent up to now is 62.6 secs Computing kpt #: 135 total cpu time spent up to now is 63.1 secs Computing kpt #: 136 total cpu time spent up to now is 63.6 secs Computing kpt #: 137 total cpu time spent up to now is 64.1 secs Computing kpt #: 138 total cpu time spent up to now is 64.7 secs Computing kpt #: 139 total cpu time spent up to now is 65.2 secs Computing kpt #: 140 total cpu time spent up to now is 65.7 secs Computing kpt #: 141 total cpu time spent up to now is 66.1 secs Computing kpt #: 142 total cpu time spent up to now is 66.6 secs Computing kpt #: 143 total cpu time spent up to now is 67.1 secs Computing kpt #: 144 total cpu time spent up to now is 67.7 secs Computing kpt #: 145 total cpu time spent up to now is 68.2 secs Computing kpt #: 146 total cpu time spent up to now is 68.6 secs Computing kpt #: 147 total cpu time spent up to now is 69.1 secs Computing kpt #: 148 total cpu time spent up to now is 69.5 secs Computing kpt #: 149 total cpu time spent up to now is 69.9 secs Computing kpt #: 150 total cpu time spent up to now is 70.4 secs Computing kpt #: 151 total cpu time spent up to now is 70.9 secs Computing kpt #: 152 total cpu time spent up to now is 71.3 secs Computing kpt #: 153 total cpu time spent up to now is 71.7 secs Computing kpt #: 154 total cpu time spent up to now is 72.2 secs Computing kpt #: 155 total cpu time spent up to now is 72.6 secs Computing kpt #: 156 total cpu time spent up to now is 73.0 secs Computing kpt #: 157 total cpu time spent up to now is 73.4 secs Computing kpt #: 158 total cpu time spent up to now is 73.8 secs Computing kpt #: 159 total cpu time spent up to now is 74.2 secs Computing kpt #: 160 total cpu time spent up to now is 74.6 secs Computing kpt #: 161 total cpu time spent up to now is 75.1 secs Computing kpt #: 162 total cpu time spent up to now is 75.5 secs Computing kpt #: 163 total cpu time spent up to now is 75.9 secs Computing kpt #: 164 total cpu time spent up to now is 76.3 secs Computing kpt #: 165 total cpu time spent up to now is 76.8 secs Computing kpt #: 166 total cpu time spent up to now is 77.2 secs Computing kpt #: 167 total cpu time spent up to now is 77.6 secs Computing kpt #: 168 total cpu time spent up to now is 78.0 secs Computing kpt #: 169 total cpu time spent up to now is 78.4 secs Computing kpt #: 170 total cpu time spent up to now is 78.8 secs Computing kpt #: 171 total cpu time spent up to now is 79.2 secs Computing kpt #: 172 total cpu time spent up to now is 79.6 secs Computing kpt #: 173 total cpu time spent up to now is 80.1 secs Computing kpt #: 174 total cpu time spent up to now is 80.5 secs Computing kpt #: 175 total cpu time spent up to now is 80.9 secs Computing kpt #: 176 total cpu time spent up to now is 81.3 secs Computing kpt #: 177 total cpu time spent up to now is 81.7 secs Computing kpt #: 178 total cpu time spent up to now is 82.1 secs Computing kpt #: 179 total cpu time spent up to now is 82.6 secs Computing kpt #: 180 total cpu time spent up to now is 83.0 secs Computing kpt #: 181 total cpu time spent up to now is 83.4 secs Computing kpt #: 182 total cpu time spent up to now is 83.8 secs Computing kpt #: 183 total cpu time spent up to now is 84.3 secs Computing kpt #: 184 total cpu time spent up to now is 84.7 secs Computing kpt #: 185 total cpu time spent up to now is 85.1 secs Computing kpt #: 186 total cpu time spent up to now is 85.5 secs Computing kpt #: 187 total cpu time spent up to now is 85.9 secs Computing kpt #: 188 total cpu time spent up to now is 86.4 secs Computing kpt #: 189 total cpu time spent up to now is 86.8 secs Computing kpt #: 190 total cpu time spent up to now is 87.2 secs Computing kpt #: 191 total cpu time spent up to now is 87.6 secs Computing kpt #: 192 total cpu time spent up to now is 88.0 secs Computing kpt #: 193 total cpu time spent up to now is 88.4 secs Computing kpt #: 194 total cpu time spent up to now is 88.8 secs Computing kpt #: 195 total cpu time spent up to now is 89.2 secs Computing kpt #: 196 total cpu time spent up to now is 89.6 secs Computing kpt #: 197 total cpu time spent up to now is 90.0 secs Computing kpt #: 198 total cpu time spent up to now is 90.4 secs Computing kpt #: 199 total cpu time spent up to now is 90.8 secs Computing kpt #: 200 total cpu time spent up to now is 91.2 secs Computing kpt #: 201 total cpu time spent up to now is 91.6 secs Computing kpt #: 202 total cpu time spent up to now is 92.0 secs Computing kpt #: 203 total cpu time spent up to now is 92.4 secs Computing kpt #: 204 total cpu time spent up to now is 92.8 secs Computing kpt #: 205 total cpu time spent up to now is 93.2 secs Computing kpt #: 206 total cpu time spent up to now is 93.6 secs Computing kpt #: 207 total cpu time spent up to now is 94.0 secs Computing kpt #: 208 total cpu time spent up to now is 94.4 secs Computing kpt #: 209 total cpu time spent up to now is 94.8 secs Computing kpt #: 210 total cpu time spent up to now is 95.2 secs Computing kpt #: 211 total cpu time spent up to now is 95.6 secs Computing kpt #: 212 total cpu time spent up to now is 96.1 secs Computing kpt #: 213 total cpu time spent up to now is 96.5 secs Computing kpt #: 214 total cpu time spent up to now is 96.9 secs Computing kpt #: 215 total cpu time spent up to now is 97.3 secs Computing kpt #: 216 total cpu time spent up to now is 97.7 secs Computing kpt #: 217 total cpu time spent up to now is 98.1 secs Computing kpt #: 218 total cpu time spent up to now is 98.5 secs Computing kpt #: 219 total cpu time spent up to now is 98.9 secs Computing kpt #: 220 total cpu time spent up to now is 99.4 secs Computing kpt #: 221 total cpu time spent up to now is 99.8 secs Computing kpt #: 222 total cpu time spent up to now is 100.2 secs Computing kpt #: 223 total cpu time spent up to now is 100.6 secs Computing kpt #: 224 total cpu time spent up to now is 101.0 secs Computing kpt #: 225 total cpu time spent up to now is 101.4 secs Computing kpt #: 226 total cpu time spent up to now is 101.8 secs Computing kpt #: 227 total cpu time spent up to now is 102.2 secs Computing kpt #: 228 total cpu time spent up to now is 102.6 secs Computing kpt #: 229 total cpu time spent up to now is 103.0 secs Computing kpt #: 230 total cpu time spent up to now is 103.4 secs Computing kpt #: 231 total cpu time spent up to now is 103.8 secs Computing kpt #: 232 total cpu time spent up to now is 104.2 secs Computing kpt #: 233 total cpu time spent up to now is 104.6 secs Computing kpt #: 234 total cpu time spent up to now is 105.1 secs Computing kpt #: 235 total cpu time spent up to now is 105.5 secs Computing kpt #: 236 total cpu time spent up to now is 105.9 secs Computing kpt #: 237 total cpu time spent up to now is 106.3 secs Computing kpt #: 238 total cpu time spent up to now is 106.7 secs Computing kpt #: 239 total cpu time spent up to now is 107.1 secs Computing kpt #: 240 total cpu time spent up to now is 107.5 secs Computing kpt #: 241 total cpu time spent up to now is 107.9 secs Computing kpt #: 242 total cpu time spent up to now is 108.4 secs Computing kpt #: 243 total cpu time spent up to now is 108.8 secs Computing kpt #: 244 total cpu time spent up to now is 109.2 secs Computing kpt #: 245 total cpu time spent up to now is 109.6 secs Computing kpt #: 246 total cpu time spent up to now is 110.0 secs Computing kpt #: 247 total cpu time spent up to now is 110.4 secs Computing kpt #: 248 total cpu time spent up to now is 110.8 secs Computing kpt #: 249 total cpu time spent up to now is 111.2 secs Computing kpt #: 250 total cpu time spent up to now is 111.6 secs Computing kpt #: 251 total cpu time spent up to now is 112.0 secs Computing kpt #: 252 total cpu time spent up to now is 112.4 secs Computing kpt #: 253 total cpu time spent up to now is 112.8 secs Computing kpt #: 254 total cpu time spent up to now is 113.2 secs Computing kpt #: 255 total cpu time spent up to now is 113.6 secs Computing kpt #: 256 total cpu time spent up to now is 114.0 secs Computing kpt #: 257 total cpu time spent up to now is 114.4 secs Computing kpt #: 258 total cpu time spent up to now is 114.8 secs Computing kpt #: 259 total cpu time spent up to now is 115.2 secs Computing kpt #: 260 total cpu time spent up to now is 115.6 secs Computing kpt #: 261 total cpu time spent up to now is 116.0 secs Computing kpt #: 262 total cpu time spent up to now is 116.5 secs Computing kpt #: 263 total cpu time spent up to now is 116.9 secs Computing kpt #: 264 total cpu time spent up to now is 117.3 secs Computing kpt #: 265 total cpu time spent up to now is 117.7 secs Computing kpt #: 266 total cpu time spent up to now is 118.1 secs Computing kpt #: 267 total cpu time spent up to now is 118.5 secs Computing kpt #: 268 total cpu time spent up to now is 119.0 secs Computing kpt #: 269 total cpu time spent up to now is 119.4 secs Computing kpt #: 270 total cpu time spent up to now is 119.8 secs Computing kpt #: 271 total cpu time spent up to now is 120.3 secs Computing kpt #: 272 total cpu time spent up to now is 120.7 secs Computing kpt #: 273 total cpu time spent up to now is 121.1 secs Computing kpt #: 274 total cpu time spent up to now is 121.6 secs Computing kpt #: 275 total cpu time spent up to now is 122.0 secs Computing kpt #: 276 total cpu time spent up to now is 122.5 secs Computing kpt #: 277 total cpu time spent up to now is 123.0 secs Computing kpt #: 278 total cpu time spent up to now is 123.4 secs Computing kpt #: 279 total cpu time spent up to now is 123.9 secs Computing kpt #: 280 total cpu time spent up to now is 124.5 secs Computing kpt #: 281 total cpu time spent up to now is 125.0 secs Computing kpt #: 282 total cpu time spent up to now is 125.5 secs Computing kpt #: 283 total cpu time spent up to now is 126.0 secs Computing kpt #: 284 total cpu time spent up to now is 126.6 secs Computing kpt #: 285 total cpu time spent up to now is 127.0 secs Computing kpt #: 286 total cpu time spent up to now is 127.6 secs Computing kpt #: 287 total cpu time spent up to now is 128.0 secs Computing kpt #: 288 total cpu time spent up to now is 128.5 secs Computing kpt #: 289 total cpu time spent up to now is 129.0 secs Computing kpt #: 290 total cpu time spent up to now is 129.5 secs Computing kpt #: 291 total cpu time spent up to now is 130.0 secs Computing kpt #: 292 total cpu time spent up to now is 130.5 secs Computing kpt #: 293 total cpu time spent up to now is 131.0 secs Computing kpt #: 294 total cpu time spent up to now is 131.6 secs Computing kpt #: 295 total cpu time spent up to now is 132.1 secs Computing kpt #: 296 total cpu time spent up to now is 132.6 secs Computing kpt #: 297 total cpu time spent up to now is 133.1 secs Computing kpt #: 298 total cpu time spent up to now is 133.6 secs Computing kpt #: 299 total cpu time spent up to now is 134.1 secs Computing kpt #: 300 total cpu time spent up to now is 134.6 secs Computing kpt #: 301 total cpu time spent up to now is 135.1 secs Computing kpt #: 302 total cpu time spent up to now is 135.6 secs Computing kpt #: 303 total cpu time spent up to now is 136.1 secs Computing kpt #: 304 total cpu time spent up to now is 136.5 secs Computing kpt #: 305 total cpu time spent up to now is 136.9 secs Computing kpt #: 306 total cpu time spent up to now is 137.3 secs Computing kpt #: 307 total cpu time spent up to now is 137.7 secs Computing kpt #: 308 total cpu time spent up to now is 138.1 secs Computing kpt #: 309 total cpu time spent up to now is 138.5 secs Computing kpt #: 310 total cpu time spent up to now is 138.9 secs Computing kpt #: 311 total cpu time spent up to now is 139.3 secs ethr = 2.78E-08, avg # of iterations = 17.8 total cpu time spent up to now is 139.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3135 PWs) bands (ev): -6.0763 -6.0763 -6.0529 -6.0529 -5.3108 -5.3108 -5.2330 -5.2330 -5.1893 -5.1893 -5.1218 -5.1218 -3.9370 -3.9370 1.8095 1.8095 3.1327 3.1327 3.2760 3.2760 4.3276 4.3276 4.4755 4.4755 4.8706 4.8706 7.0931 7.0931 7.6272 7.6272 7.8606 7.8606 8.0281 8.0281 9.0438 9.0438 9.1785 9.1785 11.8157 11.8157 13.2788 13.2788 13.6084 13.6084 k = 0.0106-0.0167-0.0102 ( 3145 PWs) bands (ev): -6.0764 -6.0764 -6.0530 -6.0530 -5.3103 -5.3103 -5.2330 -5.2330 -5.1895 -5.1895 -5.1215 -5.1215 -3.9366 -3.9366 1.8110 1.8110 3.1328 3.1328 3.2760 3.2760 4.3272 4.3272 4.4750 4.4750 4.8705 4.8705 7.0927 7.0927 7.6106 7.6106 7.8270 7.8270 8.0778 8.0778 9.0385 9.0385 9.1726 9.1726 11.8237 11.8237 13.2761 13.2761 13.6040 13.6040 k = 0.0213-0.0333-0.0203 ( 3141 PWs) bands (ev): -6.0764 -6.0764 -6.0530 -6.0530 -5.3088 -5.3088 -5.2329 -5.2329 -5.1898 -5.1898 -5.1205 -5.1205 -3.9354 -3.9354 1.8153 1.8153 3.1330 3.1330 3.2762 3.2762 4.3263 4.3263 4.4736 4.4736 4.8704 4.8704 7.0912 7.0912 7.5592 7.5592 7.7826 7.7826 8.1724 8.1724 9.0218 9.0218 9.1562 9.1562 11.8471 11.8471 13.2668 13.2668 13.5931 13.5931 k = 0.0319-0.0500-0.0305 ( 3145 PWs) bands (ev): -6.0764 -6.0764 -6.0531 -6.0531 -5.3063 -5.3063 -5.2328 -5.2328 -5.1904 -5.1904 -5.1188 -5.1188 -3.9334 -3.9334 1.8226 1.8226 3.1333 3.1333 3.2764 3.2764 4.3248 4.3248 4.4713 4.4713 4.8701 4.8701 7.0866 7.0866 7.4814 7.4814 7.7554 7.7554 8.2760 8.2760 8.9919 8.9919 9.1336 9.1336 11.8844 11.8844 13.2484 13.2484 13.5814 13.5814 k = 0.0426-0.0667-0.0407 ( 3146 PWs) bands (ev): -6.0764 -6.0764 -6.0533 -6.0533 -5.3029 -5.3029 -5.2327 -5.2327 -5.1912 -5.1912 -5.1163 -5.1163 -3.9307 -3.9307 1.8327 1.8327 3.1336 3.1336 3.2768 3.2768 4.3227 4.3227 4.4681 4.4681 4.8697 4.8697 7.0745 7.0745 7.3964 7.3964 7.7387 7.7387 8.3778 8.3778 8.9491 8.9491 9.1090 9.1090 11.9334 11.9334 13.2182 13.2182 13.5755 13.5755 k = 0.0532-0.0833-0.0508 ( 3159 PWs) bands (ev): -6.0765 -6.0765 -6.0535 -6.0535 -5.2988 -5.2988 -5.2326 -5.2326 -5.1922 -5.1922 -5.1129 -5.1129 -3.9272 -3.9272 1.8457 1.8457 3.1340 3.1340 3.2775 3.2775 4.3199 4.3199 4.4638 4.4638 4.8693 4.8693 7.0461 7.0461 7.3222 7.3222 7.7259 7.7259 8.4683 8.4683 8.9003 8.9003 9.0848 9.0848 11.9913 11.9913 13.1764 13.1764 13.5795 13.5795 k = 0.0638-0.1000-0.0610 ( 3160 PWs) bands (ev): -6.0766 -6.0766 -6.0537 -6.0537 -5.2942 -5.2942 -5.2323 -5.2323 -5.1933 -5.1933 -5.1084 -5.1084 -3.9230 -3.9230 1.8614 1.8614 3.1344 3.1344 3.2786 3.2786 4.3165 4.3165 4.4587 4.4587 4.8689 4.8689 6.9910 6.9910 7.2733 7.2733 7.7138 7.7138 8.5270 8.5270 8.8665 8.8665 9.0614 9.0614 12.0547 12.0547 13.1264 13.1264 13.5942 13.5942 k = 0.0745-0.1166-0.0712 ( 3161 PWs) bands (ev): -6.0766 -6.0766 -6.0540 -6.0540 -5.2892 -5.2892 -5.2320 -5.2320 -5.1946 -5.1946 -5.1027 -5.1027 -3.9182 -3.9182 1.8799 1.8799 3.1348 3.1348 3.2803 3.2803 4.3125 4.3125 4.4526 4.4526 4.8686 4.8686 6.9097 6.9097 7.2509 7.2509 7.7012 7.7012 8.5223 8.5223 8.8796 8.8796 9.0402 9.0402 12.1194 12.1194 13.0734 13.0734 13.6179 13.6179 k = 0.0851-0.1333-0.0813 ( 3163 PWs) bands (ev): -6.0767 -6.0767 -6.0543 -6.0543 -5.2841 -5.2841 -5.2315 -5.2315 -5.1959 -5.1959 -5.0956 -5.0956 -3.9129 -3.9129 1.9010 1.9010 3.1353 3.1353 3.2825 3.2825 4.3078 4.3078 4.4455 4.4455 4.8683 4.8683 6.8128 6.8128 7.2452 7.2452 7.6875 7.6875 8.4565 8.4565 8.9293 8.9293 9.0309 9.0309 12.1809 12.1809 13.0234 13.0234 13.6490 13.6490 k = 0.0957-0.1500-0.0915 ( 3168 PWs) bands (ev): -6.0769 -6.0769 -6.0546 -6.0546 -5.2792 -5.2792 -5.2309 -5.2309 -5.1972 -5.1972 -5.0869 -5.0869 -3.9069 -3.9069 1.9247 1.9247 3.1357 3.1357 3.2854 3.2854 4.3023 4.3023 4.4374 4.4374 4.8683 4.8683 6.7091 6.7091 7.2477 7.2477 7.6721 7.6721 8.3590 8.3590 8.9483 8.9483 9.0731 9.0731 12.2333 12.2333 12.9827 12.9827 13.6856 13.6856 k = 0.1064-0.1666-0.1017 ( 3167 PWs) bands (ev): -6.0770 -6.0770 -6.0549 -6.0549 -5.2749 -5.2749 -5.2301 -5.2301 -5.1985 -5.1985 -5.0763 -5.0763 -3.9005 -3.9005 1.9508 1.9508 3.1363 3.1363 3.2892 3.2892 4.2960 4.2960 4.4284 4.4284 4.8684 4.8684 6.6030 6.6030 7.2540 7.2540 7.6547 7.6547 8.2465 8.2465 8.9305 8.9305 9.1580 9.1580 12.2703 12.2703 12.9576 12.9576 13.7263 13.7263 k = 0.1170-0.1833-0.1118 ( 3167 PWs) bands (ev): -6.0772 -6.0772 -6.0552 -6.0552 -5.2713 -5.2713 -5.2290 -5.2290 -5.1996 -5.1996 -5.0638 -5.0638 -3.8937 -3.8937 1.9793 1.9793 3.1371 3.1371 3.2937 3.2937 4.2885 4.2885 4.4185 4.4185 4.8688 4.8688 6.4969 6.4969 7.2615 7.2615 7.6347 7.6347 8.1268 8.1268 8.9042 8.9042 9.2517 9.2517 12.2872 12.2872 12.9521 12.9521 13.7699 13.7699 k = 0.1277-0.2000-0.1220 ( 3171 PWs) bands (ev): -6.0775 -6.0775 -6.0556 -6.0556 -5.2688 -5.2688 -5.2277 -5.2277 -5.2005 -5.2005 -5.0493 -5.0493 -3.8865 -3.8865 2.0100 2.0100 3.1384 3.1384 3.2990 3.2990 4.2797 4.2797 4.4080 4.4080 4.8695 4.8695 6.3922 6.3922 7.2680 7.2680 7.6107 7.6107 8.0052 8.0052 8.8753 8.8753 9.3455 9.3455 12.2832 12.2832 12.9657 12.9657 13.8152 13.8152 k = 0.1383-0.2166-0.1322 ( 3169 PWs) bands (ev): -6.0778 -6.0778 -6.0560 -6.0560 -5.2673 -5.2673 -5.2261 -5.2261 -5.2012 -5.2012 -5.0326 -5.0326 -3.8790 -3.8790 2.0427 2.0427 3.1403 3.1403 3.3051 3.3051 4.2692 4.2692 4.3971 4.3971 4.8705 4.8705 6.2900 6.2900 7.2714 7.2714 7.5802 7.5802 7.8878 7.8878 8.8455 8.8455 9.4367 9.4367 12.2621 12.2621 12.9928 12.9928 13.8613 13.8613 k = 0.1489-0.2333-0.1423 ( 3170 PWs) bands (ev): -6.0783 -6.0783 -6.0563 -6.0563 -5.2668 -5.2668 -5.2244 -5.2244 -5.2015 -5.2015 -5.0138 -5.0138 -3.8714 -3.8714 2.0772 2.0772 3.1431 3.1431 3.3119 3.3119 4.2562 4.2562 4.3863 4.3863 4.8719 4.8719 6.1908 6.1908 7.2683 7.2683 7.5372 7.5372 7.7842 7.7842 8.8154 8.8154 9.5237 9.5237 12.2302 12.2302 13.0248 13.0248 13.9072 13.9072 k = 0.1596-0.2499-0.1525 ( 3174 PWs) bands (ev): -6.0788 -6.0788 -6.0566 -6.0566 -5.2672 -5.2672 -5.2228 -5.2228 -5.2014 -5.2014 -4.9929 -4.9929 -3.8636 -3.8636 2.1134 2.1134 3.1471 3.1471 3.3194 3.3194 4.2403 4.2403 4.3760 4.3760 4.8736 4.8736 6.0954 6.0954 7.2524 7.2524 7.4760 7.4760 7.7074 7.7074 8.7855 8.7855 9.6055 9.6055 12.1929 12.1929 13.0534 13.0534 13.9519 13.9519 k = 0.1702-0.2666-0.1627 ( 3176 PWs) bands (ev): -6.0794 -6.0794 -6.0569 -6.0569 -5.2683 -5.2683 -5.2213 -5.2213 -5.2011 -5.2011 -4.9699 -4.9699 -3.8557 -3.8557 2.1509 2.1509 3.1527 3.1527 3.3275 3.3275 4.2208 4.2208 4.3667 4.3667 4.8756 4.8756 6.0043 6.0043 7.2101 7.2101 7.4074 7.4074 7.6603 7.6603 8.7561 8.7561 9.6809 9.6809 12.1544 12.1544 13.0710 13.0710 13.9948 13.9948 k = 0.1809-0.2833-0.1729 ( 3180 PWs) bands (ev): -6.0801 -6.0801 -6.0572 -6.0572 -5.2700 -5.2700 -5.2201 -5.2201 -5.2003 -5.2003 -4.9451 -4.9451 -3.8478 -3.8478 2.1894 2.1894 3.1601 3.1601 3.3361 3.3361 4.1972 4.1972 4.3589 4.3589 4.8780 4.8780 5.9181 5.9181 7.1281 7.1281 7.3549 7.3549 7.6333 7.6333 8.7274 8.7274 9.7492 9.7492 12.1176 12.1176 13.0718 13.0718 14.0351 14.0351 k = 0.1915-0.2999-0.1830 ( 3186 PWs) bands (ev): -6.0810 -6.0810 -6.0575 -6.0575 -5.2722 -5.2722 -5.2191 -5.2191 -5.1994 -5.1994 -4.9185 -4.9185 -3.8400 -3.8400 2.2287 2.2287 3.1696 3.1696 3.3452 3.3452 4.1693 4.1693 4.3526 4.3526 4.8805 4.8805 5.8370 5.8370 7.0152 7.0152 7.3184 7.3184 7.6178 7.6178 8.6996 8.6996 9.8096 9.8096 12.0847 12.0847 13.0515 13.0515 14.0722 14.0722 k = 0.2021-0.3166-0.1932 ( 3182 PWs) bands (ev): -6.0818 -6.0818 -6.0577 -6.0577 -5.2746 -5.2746 -5.2182 -5.2182 -5.1981 -5.1981 -4.8902 -4.8902 -3.8324 -3.8324 2.2685 2.2685 3.1815 3.1815 3.3548 3.3548 4.1371 4.1371 4.3481 4.3481 4.8832 4.8832 5.7616 5.7616 6.8880 6.8880 7.2866 7.2866 7.6092 7.6092 8.6729 8.6729 9.8612 9.8612 12.0568 12.0568 13.0083 13.0083 14.1060 14.1060 k = 0.2128-0.3333-0.2034 ( 3182 PWs) bands (ev): -6.0828 -6.0828 -6.0578 -6.0578 -5.2773 -5.2773 -5.2175 -5.2175 -5.1967 -5.1967 -4.8604 -4.8604 -3.8249 -3.8249 2.3083 2.3083 3.1960 3.1960 3.3647 3.3647 4.1006 4.1006 4.3452 4.3452 4.8858 4.8858 5.6921 5.6921 6.7550 6.7550 7.2538 7.2538 7.6049 7.6049 8.6474 8.6474 9.9036 9.9036 12.0348 12.0348 12.9430 12.9430 14.1363 14.1363 k = 0.2234-0.3499-0.2135 ( 3179 PWs) bands (ev): -6.0839 -6.0839 -6.0579 -6.0579 -5.2801 -5.2801 -5.2169 -5.2169 -5.1952 -5.1952 -4.8293 -4.8293 -3.8177 -3.8177 2.3480 2.3480 3.2132 3.2132 3.3752 3.3752 4.0603 4.0603 4.3440 4.3440 4.8883 4.8883 5.6286 5.6286 6.6201 6.6201 7.2185 7.2185 7.6031 7.6031 8.6230 8.6230 9.9361 9.9361 12.0190 12.0190 12.8588 12.8588 14.1631 14.1631 k = 0.2340-0.3666-0.2237 ( 3175 PWs) bands (ev): -6.0851 -6.0851 -6.0580 -6.0580 -5.2830 -5.2830 -5.2164 -5.2164 -5.1936 -5.1936 -4.7968 -4.7968 -3.8109 -3.8109 2.3871 2.3871 3.2328 3.2328 3.3863 3.3863 4.0167 4.0167 4.3443 4.3443 4.8904 4.8904 5.5712 5.5712 6.4854 6.4854 7.1803 7.1803 7.6024 7.6024 8.5999 8.5999 9.9585 9.9585 12.0093 12.0093 12.7603 12.7603 14.1866 14.1866 k = 0.2447-0.3832-0.2339 ( 3180 PWs) bands (ev): -6.0863 -6.0863 -6.0580 -6.0580 -5.2860 -5.2860 -5.2160 -5.2160 -5.1921 -5.1921 -4.7633 -4.7633 -3.8044 -3.8044 2.4254 2.4254 3.2544 3.2544 3.3984 3.3984 3.9706 3.9706 4.3460 4.3460 4.8918 4.8918 5.5198 5.5198 6.3522 6.3522 7.1397 7.1397 7.6018 7.6018 8.5780 8.5780 9.9705 9.9705 12.0045 12.0045 12.6529 12.6529 14.2070 14.2070 k = 0.2553-0.3999-0.2440 ( 3172 PWs) bands (ev): -6.0876 -6.0876 -6.0580 -6.0580 -5.2889 -5.2889 -5.2156 -5.2156 -5.1905 -5.1905 -4.7287 -4.7287 -3.7984 -3.7984 2.4627 2.4627 3.2768 3.2768 3.4121 3.4121 3.9231 3.9231 4.3491 4.3491 4.8923 4.8923 5.4740 5.4740 6.2216 6.2216 7.0969 7.0969 7.6005 7.6005 8.5574 8.5574 9.9724 9.9724 12.0025 12.0025 12.5427 12.5427 14.2243 14.2243 k = 0.2660-0.4166-0.2542 ( 3169 PWs) bands (ev): -6.0889 -6.0889 -6.0580 -6.0580 -5.2918 -5.2918 -5.2152 -5.2152 -5.1889 -5.1889 -4.6934 -4.6934 -3.7929 -3.7929 2.4989 2.4989 3.2984 3.2984 3.4277 3.4277 3.8758 3.8758 4.3535 4.3535 4.8916 4.8916 5.4335 5.4335 6.0947 6.0947 7.0523 7.0523 7.5979 7.5979 8.5379 8.5379 9.9644 9.9644 11.9988 11.9988 12.4372 12.4372 14.2385 14.2385 k = 0.2766-0.4332-0.2644 ( 3175 PWs) bands (ev): -6.0904 -6.0904 -6.0580 -6.0580 -5.2946 -5.2946 -5.2149 -5.2149 -5.1873 -5.1873 -4.6573 -4.6573 -3.7880 -3.7880 2.5339 2.5339 3.3170 3.3170 3.4455 3.4455 3.8312 3.8312 4.3593 4.3593 4.8892 4.8892 5.3974 5.3974 5.9726 5.9726 7.0065 7.0065 7.5937 7.5937 8.5196 8.5196 9.9469 9.9469 11.9846 11.9846 12.3473 12.3473 14.2499 14.2499 k = 0.2872-0.4499-0.2745 ( 3173 PWs) bands (ev): -6.0918 -6.0918 -6.0579 -6.0579 -5.2974 -5.2974 -5.2146 -5.2146 -5.1858 -5.1858 -4.6206 -4.6206 -3.7837 -3.7837 2.5679 2.5679 3.3307 3.3307 3.4637 3.4637 3.7933 3.7933 4.3661 4.3661 4.8847 4.8847 5.3648 5.3648 5.8570 5.8570 6.9597 6.9597 7.5874 7.5874 8.5023 8.5023 9.9205 9.9205 11.9469 11.9469 12.2878 12.2878 14.2579 14.2579 k = 0.2979-0.4666-0.2847 ( 3173 PWs) bands (ev): -6.0932 -6.0932 -6.0578 -6.0578 -5.3000 -5.3000 -5.2144 -5.2144 -5.1842 -5.1842 -4.5835 -4.5835 -3.7801 -3.7801 2.6009 2.6009 3.3380 3.3380 3.4780 3.4780 3.7683 3.7683 4.3740 4.3740 4.8775 4.8775 5.3342 5.3342 5.7498 5.7498 6.9123 6.9123 7.5788 7.5788 8.4861 8.4861 9.8858 9.8858 11.8799 11.8799 12.2654 12.2654 14.2601 14.2601 k = 0.3085-0.4832-0.2949 ( 3175 PWs) bands (ev): -6.0946 -6.0946 -6.0577 -6.0577 -5.3025 -5.3025 -5.2141 -5.2141 -5.1828 -5.1828 -4.5462 -4.5462 -3.7771 -3.7771 2.6332 2.6332 3.3376 3.3376 3.4828 3.4828 3.7631 3.7631 4.3826 4.3826 4.8668 4.8668 5.3034 5.3034 5.6539 5.6539 6.8647 6.8647 7.5677 7.5677 8.4709 8.4709 9.8435 9.8435 11.7935 11.7935 12.2708 12.2708 14.2444 14.2444 k = 0.3191-0.4999-0.3050 ( 3179 PWs) bands (ev): -6.0961 -6.0961 -6.0576 -6.0576 -5.3049 -5.3049 -5.2139 -5.2139 -5.1813 -5.1813 -4.5087 -4.5087 -3.7750 -3.7750 2.6648 2.6648 3.3278 3.3278 3.4777 3.4777 3.7799 3.7799 4.3915 4.3915 4.8516 4.8516 5.2702 5.2702 5.5731 5.5731 6.8171 6.8171 7.5541 7.5541 8.4566 8.4566 9.7945 9.7945 11.7000 11.7000 12.2921 12.2921 14.2079 14.2079 k = 0.3298-0.5166-0.3152 ( 3183 PWs) bands (ev): -6.0975 -6.0975 -6.0576 -6.0576 -5.3071 -5.3071 -5.2138 -5.2138 -5.1799 -5.1799 -4.4713 -4.4713 -3.7736 -3.7736 2.6959 2.6959 3.3073 3.3073 3.4683 3.4683 3.8144 3.8144 4.4003 4.4003 4.8305 4.8305 5.2331 5.2331 5.5102 5.5102 6.7698 6.7698 7.5377 7.5377 8.4433 8.4433 9.7396 9.7396 11.6069 11.6069 12.3220 12.3220 14.1668 14.1668 k = 0.3404-0.5332-0.3254 ( 3183 PWs) bands (ev): -6.0988 -6.0988 -6.0574 -6.0574 -5.3092 -5.3092 -5.2136 -5.2136 -5.1786 -5.1786 -4.4340 -4.4340 -3.7731 -3.7731 2.7265 2.7265 3.2771 3.2771 3.4603 3.4603 3.8599 3.8599 4.4080 4.4080 4.8027 4.8027 5.1937 5.1937 5.4657 5.4657 6.7232 6.7232 7.5187 7.5187 8.4309 8.4309 9.6799 9.6799 11.5178 11.5178 12.3566 12.3566 14.1260 14.1260 k = 0.3511-0.5499-0.3355 ( 3185 PWs) bands (ev): -6.1001 -6.1001 -6.0574 -6.0574 -5.3112 -5.3112 -5.2134 -5.2134 -5.1773 -5.1773 -4.3971 -4.3971 -3.7734 -3.7734 2.7565 2.7565 3.2406 3.2406 3.4550 3.4550 3.9111 3.9111 4.4134 4.4134 4.7684 4.7684 5.1565 5.1565 5.4363 5.4363 6.6776 6.6776 7.4969 7.4969 8.4194 8.4194 9.6164 9.6164 11.4346 11.4346 12.3938 12.3938 14.0865 14.0865 k = 0.3617-0.5665-0.3457 ( 3184 PWs) bands (ev): -6.1014 -6.1014 -6.0572 -6.0572 -5.3130 -5.3130 -5.2132 -5.2132 -5.1760 -5.1760 -4.3607 -4.3607 -3.7747 -3.7747 2.7853 2.7853 3.2022 3.2022 3.4520 3.4520 3.9637 3.9637 4.4143 4.4143 4.7306 4.7306 5.1258 5.1258 5.4174 5.4174 6.6332 6.6332 7.4725 7.4725 8.4087 8.4087 9.5504 9.5504 11.3581 11.3581 12.4320 12.4320 14.0490 14.0490 k = 0.3723-0.5832-0.3559 ( 3188 PWs) bands (ev): -6.1026 -6.1026 -6.0571 -6.0571 -5.3147 -5.3147 -5.2131 -5.2131 -5.1749 -5.1749 -4.3251 -4.3251 -3.7769 -3.7769 2.8118 2.8118 3.1658 3.1658 3.4503 3.4503 4.0139 4.0139 4.4084 4.4084 4.6951 4.6951 5.1035 5.1035 5.4052 5.4052 6.5904 6.5904 7.4456 7.4456 8.3988 8.3988 9.4831 9.4831 11.2888 11.2888 12.4703 12.4703 14.0135 14.0135 k = 0.3830-0.5999-0.3660 ( 3188 PWs) bands (ev): -6.1038 -6.1038 -6.0570 -6.0570 -5.3162 -5.3162 -5.2129 -5.2129 -5.1738 -5.1738 -4.2903 -4.2903 -3.7800 -3.7800 2.8341 2.8341 3.1355 3.1355 3.4493 3.4493 4.0563 4.0563 4.3952 4.3952 4.6686 4.6686 5.0896 5.0896 5.3970 5.3970 6.5494 6.5494 7.4164 7.4164 8.3898 8.3898 9.4158 9.4158 11.2267 11.2267 12.5078 12.5078 13.9803 13.9803 k = 0.3936-0.6165-0.3762 ( 3190 PWs) bands (ev): -6.1048 -6.1048 -6.0569 -6.0569 -5.3176 -5.3176 -5.2128 -5.2128 -5.1728 -5.1728 -4.2565 -4.2565 -3.7841 -3.7841 2.8489 2.8489 3.1158 3.1158 3.4486 3.4486 4.0826 4.0826 4.3804 4.3804 4.6547 4.6547 5.0829 5.0829 5.3911 5.3911 6.5106 6.5106 7.3854 7.3854 8.3815 8.3815 9.3499 9.3499 11.1715 11.1715 12.5441 12.5441 13.9496 13.9496 k = 0.4043-0.6332-0.3864 ( 3182 PWs) bands (ev): -6.1058 -6.1058 -6.0568 -6.0568 -5.3188 -5.3188 -5.2127 -5.2127 -5.1718 -5.1718 -4.2241 -4.2241 -3.7891 -3.7891 2.8530 2.8530 3.1112 3.1112 3.4481 3.4481 4.0829 4.0829 4.3756 4.3756 4.6521 4.6521 5.0828 5.0828 5.3862 5.3862 6.4743 6.4743 7.3530 7.3530 8.3741 8.3741 9.2866 9.2866 11.1230 11.1230 12.5784 12.5784 13.9214 13.9214 k = 0.4149-0.6499-0.3965 ( 3184 PWs) bands (ev): -6.1067 -6.1067 -6.0568 -6.0568 -5.3199 -5.3199 -5.2126 -5.2126 -5.1709 -5.1709 -4.1931 -4.1931 -3.7951 -3.7951 2.8459 2.8459 3.1228 3.1228 3.4477 3.4477 4.0542 4.0542 4.3874 4.3874 4.6573 4.6573 5.0886 5.0886 5.3812 5.3812 6.4408 6.4408 7.3197 7.3197 8.3675 8.3675 9.2271 9.2271 11.0808 11.0808 12.6105 12.6105 13.8959 13.8959 k = 0.4255-0.6665-0.4067 ( 3179 PWs) bands (ev): -6.1074 -6.1074 -6.0567 -6.0567 -5.3209 -5.3209 -5.2124 -5.2124 -5.1701 -5.1701 -4.1638 -4.1638 -3.8017 -3.8017 2.8309 2.8309 3.1478 3.1478 3.4473 3.4473 4.0046 4.0046 4.4104 4.4104 4.6671 4.6671 5.0998 5.0998 5.3755 5.3755 6.4104 6.4104 7.2865 7.2865 8.3617 8.3617 9.1723 9.1723 11.0446 11.0446 12.6398 12.6398 13.8730 13.8730 k = 0.4362-0.6832-0.4169 ( 3184 PWs) bands (ev): -6.1081 -6.1081 -6.0566 -6.0566 -5.3217 -5.3217 -5.2124 -5.2124 -5.1695 -5.1695 -4.1366 -4.1366 -3.8091 -3.8091 2.8122 2.8122 3.1823 3.1823 3.4469 3.4469 3.9439 3.9439 4.4369 4.4369 4.6788 4.6788 5.1162 5.1162 5.3684 5.3684 6.3834 6.3834 7.2542 7.2542 8.3567 8.3567 9.1233 9.1233 11.0139 11.0139 12.6660 12.6660 13.8530 13.8530 k = 0.4468-0.6998-0.4270 ( 3183 PWs) bands (ev): -6.1087 -6.1087 -6.0566 -6.0566 -5.3224 -5.3224 -5.2123 -5.2123 -5.1689 -5.1689 -4.1118 -4.1118 -3.8168 -3.8168 2.7932 2.7932 3.2232 3.2232 3.4466 3.4466 3.8785 3.8785 4.4621 4.4621 4.6909 4.6909 5.1371 5.1371 5.3592 5.3592 6.3601 6.3601 7.2240 7.2240 8.3524 8.3524 9.0807 9.0807 10.9885 10.9885 12.6887 12.6887 13.8358 13.8358 k = 0.4574-0.7165-0.4372 ( 3185 PWs) bands (ev): -6.1092 -6.1092 -6.0565 -6.0565 -5.3230 -5.3230 -5.2122 -5.2122 -5.1684 -5.1684 -4.0899 -4.0899 -3.8246 -3.8246 2.7759 2.7759 3.2682 3.2682 3.4462 3.4462 3.8122 3.8122 4.4836 4.4836 4.7020 4.7020 5.1615 5.1615 5.3476 5.3476 6.3406 6.3406 7.1969 7.1969 8.3490 8.3490 9.0451 9.0451 10.9682 10.9682 12.7077 12.7077 13.8217 13.8217 k = 0.4681-0.7332-0.4474 ( 3195 PWs) bands (ev): -6.1097 -6.1097 -6.0565 -6.0565 -5.3235 -5.3235 -5.2122 -5.2122 -5.1681 -5.1681 -4.0715 -4.0715 -3.8319 -3.8319 2.7615 2.7615 3.3155 3.3155 3.4458 3.4458 3.7480 3.7480 4.5005 4.5005 4.7111 4.7111 5.1882 5.1882 5.3331 5.3331 6.3253 6.3253 7.1743 7.1743 8.3463 8.3463 9.0170 9.0170 10.9525 10.9525 12.7228 12.7228 13.8106 13.8106 k = 0.4787-0.7498-0.4575 ( 3201 PWs) bands (ev): -6.1100 -6.1100 -6.0565 -6.0565 -5.3239 -5.3239 -5.2122 -5.2122 -5.1679 -5.1679 -4.0574 -4.0574 -3.8380 -3.8380 2.7508 2.7508 3.3620 3.3620 3.4453 3.4453 3.6891 3.6891 4.5126 4.5126 4.7179 4.7179 5.2159 5.2159 5.3157 5.3157 6.3142 6.3142 7.1572 7.1572 8.3443 8.3443 8.9968 8.9968 10.9415 10.9415 12.7337 12.7337 13.8026 13.8026 k = 0.4894-0.7665-0.4677 ( 3205 PWs) bands (ev): -6.1102 -6.1102 -6.0565 -6.0565 -5.3241 -5.3241 -5.2122 -5.2122 -5.1677 -5.1677 -4.0485 -4.0485 -3.8421 -3.8421 2.7443 2.7443 3.4018 3.4018 3.4444 3.4444 3.6425 3.6425 4.5198 4.5198 4.7220 4.7220 5.2427 5.2427 5.2957 5.2957 6.3076 6.3076 7.1466 7.1466 8.3432 8.3432 8.9845 8.9845 10.9349 10.9349 12.7403 12.7403 13.7978 13.7978 k = 0.5000-0.7832-0.4779 ( 3208 PWs) bands (ev): -6.1103 -6.1103 -6.0565 -6.0565 -5.3241 -5.3241 -5.2122 -5.2122 -5.1677 -5.1677 -4.0454 -4.0454 -3.8436 -3.8436 2.7421 2.7421 3.4201 3.4201 3.4431 3.4431 3.6230 3.6230 4.5222 4.5222 4.7234 4.7234 5.2613 5.2613 5.2794 5.2794 6.3053 6.3053 7.1430 7.1430 8.3428 8.3428 8.9804 8.9804 10.9328 10.9328 12.7425 12.7425 13.7962 13.7962 k = 0.5000-0.7832-0.4779 ( 3208 PWs) bands (ev): -6.1103 -6.1103 -6.0565 -6.0565 -5.3241 -5.3241 -5.2122 -5.2122 -5.1677 -5.1677 -4.0454 -4.0454 -3.8436 -3.8436 2.7421 2.7421 3.4201 3.4201 3.4431 3.4431 3.6230 3.6230 4.5222 4.5222 4.7234 4.7234 5.2613 5.2613 5.2794 5.2794 6.3053 6.3053 7.1430 7.1430 8.3428 8.3428 8.9804 8.9804 10.9328 10.9328 12.7425 12.7425 13.7962 13.7962 k = 0.5000-0.7716-0.4968 ( 3204 PWs) bands (ev): -6.1102 -6.1102 -6.0566 -6.0566 -5.3240 -5.3240 -5.2123 -5.2123 -5.1678 -5.1678 -4.0448 -4.0448 -3.8436 -3.8436 2.7434 2.7434 3.3889 3.3889 3.4738 3.4738 3.6257 3.6257 4.5213 4.5213 4.7220 4.7220 5.2573 5.2573 5.2843 5.2843 6.2988 6.2988 7.1472 7.1472 8.3104 8.3104 9.0108 9.0108 10.9402 10.9402 12.7389 12.7389 13.8015 13.8015 k = 0.5000-0.7601-0.5157 ( 3196 PWs) bands (ev): -6.1100 -6.1100 -6.0566 -6.0566 -5.3238 -5.3238 -5.2125 -5.2125 -5.1680 -5.1680 -4.0431 -4.0431 -3.8434 -3.8434 2.7473 2.7473 3.3492 3.3492 3.5112 3.5112 3.6348 3.6348 4.5185 4.5185 4.7180 4.7180 5.2483 5.2483 5.2956 5.2956 6.2798 6.2798 7.1593 7.1593 8.2272 8.2272 9.0879 9.0879 10.9626 10.9626 12.7281 12.7281 13.8177 13.8177 k = 0.5000-0.7486-0.5346 ( 3192 PWs) bands (ev): -6.1097 -6.1097 -6.0568 -6.0568 -5.3234 -5.3234 -5.2129 -5.2129 -5.1684 -5.1684 -4.0403 -4.0403 -3.8432 -3.8432 2.7539 2.7539 3.3101 3.3101 3.5431 3.5431 3.6533 3.6533 4.5137 4.5137 4.7116 4.7116 5.2358 5.2358 5.3115 5.3115 6.2502 6.2502 7.1779 7.1779 8.1154 8.1154 9.1895 9.1895 10.9994 10.9994 12.7101 12.7101 13.8445 13.8445 k = 0.5000-0.7370-0.5535 ( 3192 PWs) bands (ev): -6.1093 -6.1093 -6.0571 -6.0571 -5.3228 -5.3228 -5.2135 -5.2135 -5.1691 -5.1691 -4.0363 -4.0363 -3.8430 -3.8430 2.7631 2.7631 3.2722 3.2722 3.5662 3.5662 3.6837 3.6837 4.5072 4.5072 4.7033 4.7033 5.2192 5.2192 5.3316 5.3316 6.2126 6.2126 7.2012 7.2012 7.9891 7.9891 9.3013 9.3013 11.0503 11.0503 12.6852 12.6852 13.8821 13.8821 k = 0.5000-0.7255-0.5724 ( 3198 PWs) bands (ev): -6.1088 -6.1088 -6.0575 -6.0575 -5.3221 -5.3221 -5.2144 -5.2144 -5.1698 -5.1698 -4.0314 -4.0314 -3.8426 -3.8426 2.7748 2.7748 3.2359 3.2359 3.5819 3.5819 3.7243 3.7243 4.4987 4.4987 4.6936 4.6936 5.1980 5.1980 5.3557 5.3557 6.1696 6.1696 7.2273 7.2273 7.8554 7.8554 9.4163 9.4163 11.1145 11.1145 12.6534 12.6534 13.9304 13.9304 k = 0.5000-0.7140-0.5913 ( 3186 PWs) bands (ev): -6.1081 -6.1081 -6.0579 -6.0579 -5.3212 -5.3212 -5.2153 -5.2153 -5.1706 -5.1706 -4.0254 -4.0254 -3.8422 -3.8422 2.7890 2.7890 3.2014 3.2014 3.5935 3.5935 3.7715 3.7715 4.4886 4.4886 4.6829 4.6829 5.1718 5.1718 5.3833 5.3833 6.1240 6.1240 7.2548 7.2548 7.7183 7.7183 9.5304 9.5304 11.1912 11.1912 12.6152 12.6152 13.9054 13.9054 k = 0.5000-0.7024-0.6102 ( 3182 PWs) bands (ev): -6.1074 -6.1074 -6.0584 -6.0584 -5.3202 -5.3202 -5.2165 -5.2165 -5.1715 -5.1715 -4.0185 -4.0185 -3.8418 -3.8418 2.8056 2.8056 3.1686 3.1686 3.6034 3.6034 3.8226 3.8226 4.4769 4.4769 4.6714 4.6714 5.1402 5.1402 5.4139 5.4139 6.0780 6.0780 7.2817 7.2817 7.5805 7.5805 9.6413 9.6413 11.2795 11.2795 12.5708 12.5708 13.7902 13.7902 k = 0.5000-0.6909-0.6291 ( 3180 PWs) bands (ev): -6.1066 -6.1066 -6.0591 -6.0591 -5.3191 -5.3191 -5.2179 -5.2179 -5.1725 -5.1725 -4.0107 -4.0107 -3.8413 -3.8413 2.8247 2.8247 3.1377 3.1377 3.6128 3.6128 3.8760 3.8760 4.4638 4.4638 4.6594 4.6594 5.1033 5.1033 5.4469 5.4469 6.0335 6.0335 7.3037 7.3037 7.4471 7.4471 9.7473 9.7473 11.3782 11.3782 12.5207 12.5207 13.6683 13.6683 k = 0.5000-0.6794-0.6480 ( 3186 PWs) bands (ev): -6.1057 -6.1057 -6.0598 -6.0598 -5.3178 -5.3178 -5.2196 -5.2196 -5.1735 -5.1735 -4.0021 -4.0021 -3.8407 -3.8407 2.8459 2.8459 3.1086 3.1086 3.6223 3.6223 3.9308 3.9308 4.4494 4.4494 4.6468 4.6468 5.0614 5.0614 5.4817 5.4817 5.9919 5.9919 7.2736 7.2736 7.3659 7.3659 9.8472 9.8472 11.4861 11.4861 12.4656 12.4656 13.5424 13.5424 k = 0.5000-0.6678-0.6669 ( 3186 PWs) bands (ev): -6.1047 -6.1047 -6.0606 -6.0606 -5.3164 -5.3164 -5.2215 -5.2215 -5.1745 -5.1745 -3.9928 -3.9928 -3.8402 -3.8402 2.8693 2.8693 3.0817 3.0817 3.6320 3.6320 3.9862 3.9862 4.4341 4.4341 4.6338 4.6338 5.0154 5.0154 5.5178 5.5178 5.9544 5.9544 7.1516 7.1516 7.3774 7.3774 9.9397 9.9397 11.6019 11.6019 12.4062 12.4062 13.4147 13.4147 k = 0.5000-0.6563-0.6858 ( 3182 PWs) bands (ev): -6.1036 -6.1036 -6.0614 -6.0614 -5.3148 -5.3148 -5.2235 -5.2235 -5.1754 -5.1754 -3.9830 -3.9830 -3.8396 -3.8396 2.8944 2.8944 3.0570 3.0570 3.6420 3.6420 4.0410 4.0410 4.4182 4.4182 4.6202 4.6202 4.9667 4.9667 5.5545 5.5545 5.9214 5.9214 7.0201 7.0201 7.4000 7.4000 10.0238 10.0238 11.7236 11.7236 12.3439 12.3439 13.2873 13.2873 k = 0.5000-0.6448-0.7047 ( 3182 PWs) bands (ev): -6.1024 -6.1024 -6.0623 -6.0623 -5.3132 -5.3132 -5.2258 -5.2258 -5.1762 -5.1762 -3.9726 -3.9726 -3.8390 -3.8390 2.9208 2.9208 3.0349 3.0349 3.6524 3.6524 4.0939 4.0939 4.4017 4.4017 4.6063 4.6063 4.9172 4.9172 5.5909 5.5909 5.8932 5.8932 6.8905 6.8905 7.4229 7.4229 10.0985 10.0985 11.8477 11.8477 12.2817 12.2817 13.1622 13.1622 k = 0.5000-0.6332-0.7236 ( 3190 PWs) bands (ev): -6.1012 -6.1012 -6.0633 -6.0633 -5.3114 -5.3114 -5.2283 -5.2283 -5.1770 -5.1770 -3.9618 -3.9618 -3.8384 -3.8384 2.9466 2.9466 3.0172 3.0172 3.6629 3.6629 4.1425 4.1425 4.3847 4.3847 4.5930 4.5930 4.8694 4.8694 5.6257 5.6257 5.8697 5.8697 6.7655 6.7655 7.4450 7.4450 10.1625 10.1625 11.9634 11.9634 12.2301 12.2301 13.0415 13.0415 k = 0.5000-0.6217-0.7425 ( 3190 PWs) bands (ev): -6.1000 -6.1000 -6.0644 -6.0644 -5.3095 -5.3095 -5.2310 -5.2310 -5.1777 -5.1777 -3.9508 -3.9508 -3.8378 -3.8378 2.9636 2.9636 3.0119 3.0119 3.6735 3.6735 4.1833 4.1833 4.3668 4.3668 4.5830 4.5830 4.8260 4.8260 5.6575 5.6575 5.8508 5.8508 6.6472 6.6472 7.4660 7.4660 10.2147 10.2147 12.0246 12.0246 12.2344 12.2344 12.9273 12.9273 k = 0.5000-0.6102-0.7614 ( 3182 PWs) bands (ev): -6.0986 -6.0986 -6.0655 -6.0655 -5.3075 -5.3075 -5.2337 -5.2337 -5.1783 -5.1783 -3.9396 -3.9396 -3.8373 -3.8373 2.9599 2.9599 3.0305 3.0305 3.6839 3.6839 4.2115 4.2115 4.3469 4.3469 4.5806 4.5806 4.7896 4.7896 5.6836 5.6836 5.8363 5.8363 6.5381 6.5381 7.4857 7.4857 10.2541 10.2541 11.9931 11.9931 12.3320 12.3320 12.8220 12.8220 k = 0.5000-0.5986-0.7803 ( 3180 PWs) bands (ev): -6.0972 -6.0972 -6.0666 -6.0666 -5.3054 -5.3054 -5.2366 -5.2366 -5.1788 -5.1788 -3.9283 -3.9283 -3.8369 -3.8369 2.9477 2.9477 3.0608 3.0608 3.6939 3.6939 4.2227 4.2227 4.3240 4.3240 4.5901 4.5901 4.7626 4.7626 5.7014 5.7014 5.8249 5.8249 6.4422 6.4422 7.5042 7.5042 10.2793 10.2793 11.9274 11.9274 12.4611 12.4611 12.7306 12.7306 k = 0.5000-0.5871-0.7992 ( 3186 PWs) bands (ev): -6.0959 -6.0959 -6.0679 -6.0679 -5.3033 -5.3033 -5.2396 -5.2396 -5.1792 -5.1792 -3.9172 -3.9172 -3.8365 -3.8365 2.9346 2.9346 3.0945 3.0945 3.7031 3.7031 4.2142 4.2142 4.3003 4.3003 4.6093 4.6093 4.7491 4.7491 5.7082 5.7082 5.8137 5.8137 6.3650 6.3650 7.5213 7.5213 10.2893 10.2893 11.8530 11.8530 12.5651 12.5651 12.6854 12.6854 k = 0.5000-0.5756-0.8181 ( 3186 PWs) bands (ev): -6.0944 -6.0944 -6.0692 -6.0692 -5.3011 -5.3011 -5.2426 -5.2426 -5.1796 -5.1796 -3.9063 -3.9063 -3.8362 -3.8362 2.9225 2.9225 3.1296 3.1296 3.7108 3.7108 4.1870 4.1870 4.2800 4.2800 4.6267 4.6267 4.7567 4.7567 5.7020 5.7020 5.7988 5.7988 6.3127 6.3127 7.5372 7.5372 10.2834 10.2834 11.7760 11.7760 12.5393 12.5393 12.7861 12.7861 k = 0.5000-0.5641-0.8370 ( 3188 PWs) bands (ev): -6.0930 -6.0930 -6.0705 -6.0705 -5.2989 -5.2989 -5.2456 -5.2456 -5.1799 -5.1799 -3.8958 -3.8958 -3.8360 -3.8360 2.9116 2.9116 3.1651 3.1651 3.7163 3.7163 4.1475 4.1475 4.2637 4.2637 4.6318 4.6318 4.7903 4.7903 5.6791 5.6791 5.7810 5.7810 6.2884 6.2884 7.5517 7.5517 10.2613 10.2613 11.6985 11.6985 12.4852 12.4852 12.9298 12.9298 k = 0.5000-0.5525-0.8559 ( 3182 PWs) bands (ev): -6.0915 -6.0915 -6.0718 -6.0718 -5.2966 -5.2966 -5.2485 -5.2485 -5.1801 -5.1801 -3.8858 -3.8858 -3.8360 -3.8360 2.9020 2.9020 3.2002 3.2002 3.7188 3.7188 4.1038 4.1038 4.2498 4.2498 4.6276 4.6276 4.8421 4.8421 5.6362 5.6362 5.7662 5.7662 6.2899 6.2899 7.5648 7.5648 10.2230 10.2230 11.6217 11.6217 12.4399 12.4399 13.0782 13.0782 k = 0.5000-0.5410-0.8748 ( 3186 PWs) bands (ev): -6.0900 -6.0900 -6.0733 -6.0733 -5.2944 -5.2944 -5.2514 -5.2514 -5.1802 -5.1802 -3.8765 -3.8765 -3.8361 -3.8361 2.8937 2.8937 3.2342 3.2342 3.7170 3.7170 4.0614 4.0614 4.2373 4.2373 4.6200 4.6200 4.9024 4.9024 5.5788 5.5788 5.7566 5.7566 6.3108 6.3108 7.5766 7.5766 10.1696 10.1696 11.5465 11.5465 12.4065 12.4065 13.2267 13.2267 k = 0.5000-0.5295-0.8937 ( 3184 PWs) bands (ev): -6.0885 -6.0885 -6.0747 -6.0747 -5.2923 -5.2923 -5.2540 -5.2540 -5.1803 -5.1803 -3.8679 -3.8679 -3.8364 -3.8364 2.8865 2.8865 3.2659 3.2659 3.7102 3.7102 4.0241 4.0241 4.2263 4.2263 4.6117 4.6117 4.9651 4.9651 5.5165 5.5165 5.7505 5.7505 6.3449 6.3449 7.5868 7.5868 10.1021 10.1021 11.4736 11.4736 12.3847 12.3847 13.3734 13.3734 k = 0.5000-0.5179-0.9126 ( 3186 PWs) bands (ev): -6.0871 -6.0871 -6.0761 -6.0761 -5.2904 -5.2904 -5.2565 -5.2565 -5.1804 -5.1804 -3.8602 -3.8602 -3.8369 -3.8369 2.8803 2.8803 3.2938 3.2938 3.6987 3.6987 3.9938 3.9938 4.2172 4.2172 4.6038 4.6038 5.0245 5.0245 5.4588 5.4588 5.7467 5.7467 6.3877 6.3877 7.5956 7.5956 10.0225 10.0225 11.4036 11.4036 12.3736 12.3736 13.5170 13.5170 k = 0.5000-0.5064-0.9315 ( 3188 PWs) bands (ev): -6.0856 -6.0856 -6.0776 -6.0776 -5.2887 -5.2887 -5.2586 -5.2586 -5.1804 -5.1804 -3.8536 -3.8536 -3.8376 -3.8376 2.8749 2.8749 3.3161 3.3161 3.6844 3.6844 3.9705 3.9705 4.2103 4.2103 4.5968 4.5968 5.0717 5.0717 5.4173 5.4173 5.7447 5.7447 6.4365 6.4365 7.6028 7.6028 9.9325 9.9325 11.3372 11.3372 12.3718 12.3718 13.6561 13.6561 k = 0.5000-0.4949-0.9504 ( 3194 PWs) bands (ev): -6.0842 -6.0842 -6.0790 -6.0790 -5.2874 -5.2874 -5.2602 -5.2602 -5.1805 -5.1805 -3.8482 -3.8482 -3.8385 -3.8385 2.8701 2.8701 3.3304 3.3304 3.6711 3.6711 3.9526 3.9526 4.2062 4.2062 4.5909 4.5909 5.0931 5.0931 5.4069 5.4069 5.7443 5.7443 6.4895 6.4895 7.6084 7.6084 9.8341 9.8341 11.2749 11.2749 12.3775 12.3775 13.7891 13.7891 k = 0.5000-0.4833-0.9693 ( 3196 PWs) bands (ev): -6.0828 -6.0828 -6.0805 -6.0805 -5.2866 -5.2866 -5.2612 -5.2612 -5.1805 -5.1805 -3.8442 -3.8442 -3.8396 -3.8396 2.8657 2.8657 3.3349 3.3349 3.6626 3.6626 3.9377 3.9377 4.2053 4.2053 4.5867 4.5867 5.0825 5.0825 5.4346 5.4346 5.7457 5.7457 6.5456 6.5456 7.6125 7.6125 9.7290 9.7290 11.2171 11.2171 12.3894 12.3894 13.9143 13.9143 k = 0.5000-0.4718-0.9882 ( 3182 PWs) bands (ev): -6.0820 -6.0820 -6.0812 -6.0812 -5.2864 -5.2864 -5.2614 -5.2614 -5.1804 -5.1804 -3.8423 -3.8423 -3.8403 -3.8403 2.8613 2.8613 3.3292 3.3292 3.6614 3.6614 3.9239 3.9239 4.2077 4.2077 4.5843 4.5843 5.0513 5.0513 5.4891 5.4891 5.7497 5.7497 6.6041 6.6041 7.6149 7.6149 9.6190 9.6190 11.1644 11.1644 12.4060 12.4060 14.0291 14.0291 k = 0.5000-0.4603-1.0071 ( 3180 PWs) bands (ev): -6.0833 -6.0833 -6.0799 -6.0799 -5.2869 -5.2869 -5.2608 -5.2608 -5.1804 -5.1804 -3.8435 -3.8435 -3.8398 -3.8398 2.8566 2.8566 3.3146 3.3146 3.6672 3.6672 3.9098 3.9098 4.2131 4.2131 4.5842 4.5842 5.0129 5.0129 5.5558 5.5558 5.7577 5.7577 6.6643 6.6643 7.6158 7.6158 9.5054 9.5054 11.1173 11.1173 12.4261 12.4261 14.1300 14.1300 k = 0.5000-0.4487-1.0260 ( 3184 PWs) bands (ev): -6.0847 -6.0847 -6.0786 -6.0786 -5.2880 -5.2880 -5.2597 -5.2597 -5.1804 -5.1804 -3.8456 -3.8456 -3.8403 -3.8403 2.8512 2.8512 3.2943 3.2943 3.6781 3.6781 3.8949 3.8949 4.2209 4.2209 4.5865 4.5865 4.9746 4.9746 5.6234 5.6234 5.7741 5.7741 6.7259 6.7259 7.6151 7.6151 9.3896 9.3896 11.0759 11.0759 12.4486 12.4486 14.2127 14.2127 k = 0.5000-0.4372-1.0449 ( 3180 PWs) bands (ev): -6.0860 -6.0860 -6.0773 -6.0773 -5.2894 -5.2894 -5.2580 -5.2580 -5.1804 -5.1804 -3.8481 -3.8481 -3.8425 -3.8425 2.8449 2.8449 3.2711 3.2711 3.6918 3.6918 3.8794 3.8794 4.2304 4.2304 4.5915 4.5915 4.9398 4.9398 5.6787 5.6787 5.8087 5.8087 6.7885 6.7885 7.6129 7.6129 9.2727 9.2727 11.0408 11.0408 12.4727 12.4727 14.2727 14.2727 k = 0.8138-0.3456-0.8667 ( 3180 PWs) bands (ev): -6.0860 -6.0860 -6.0773 -6.0773 -5.2894 -5.2894 -5.2580 -5.2580 -5.1804 -5.1804 -3.8481 -3.8481 -3.8425 -3.8425 2.8449 2.8449 3.2711 3.2711 3.6918 3.6918 3.8794 3.8794 4.2304 4.2304 4.5915 4.5915 4.9398 4.9398 5.6787 5.6787 5.8087 5.8087 6.7885 6.7885 7.6129 7.6129 9.2727 9.2727 11.0408 11.0408 12.4727 12.4727 14.2727 14.2727 k = 0.8077-0.3359-0.8479 ( 3182 PWs) bands (ev): -6.0872 -6.0872 -6.0761 -6.0761 -5.2911 -5.2911 -5.2561 -5.2561 -5.1804 -5.1804 -3.8510 -3.8510 -3.8464 -3.8464 2.8372 2.8372 3.2476 3.2476 3.7063 3.7063 3.8638 3.8638 4.2407 4.2407 4.5992 4.5992 4.9103 4.9103 5.7123 5.7123 5.8688 5.8688 6.8513 6.8513 7.6096 7.6096 9.1568 9.1568 11.0124 11.0124 12.4973 12.4973 14.3077 14.3077 k = 0.8015-0.3263-0.8292 ( 3180 PWs) bands (ev): -6.0885 -6.0885 -6.0749 -6.0749 -5.2928 -5.2928 -5.2540 -5.2540 -5.1805 -5.1805 -3.8544 -3.8544 -3.8520 -3.8520 2.8279 2.8279 3.2253 3.2253 3.7204 3.7204 3.8488 3.8488 4.2510 4.2510 4.6092 4.6092 4.8865 4.8865 5.7327 5.7327 5.9459 5.9459 6.9144 6.9144 7.6052 7.6052 9.0420 9.0420 10.9904 10.9904 12.5220 12.5220 14.3198 14.3198 k = 0.7954-0.3166-0.8105 ( 3180 PWs) bands (ev): -6.0896 -6.0896 -6.0737 -6.0737 -5.2946 -5.2946 -5.2517 -5.2517 -5.1805 -5.1805 -3.8599 -3.8599 -3.8578 -3.8578 2.8166 2.8166 3.2053 3.2053 3.7333 3.7333 3.8353 3.8353 4.2607 4.2607 4.6211 4.6211 4.8687 4.8687 5.7489 5.7489 6.0305 6.0305 6.9774 6.9774 7.6000 7.6000 8.9292 8.9292 10.9752 10.9752 12.5464 12.5464 14.3141 14.3141 k = 0.7892-0.3070-0.7917 ( 3176 PWs) bands (ev): -6.0907 -6.0907 -6.0726 -6.0726 -5.2964 -5.2964 -5.2493 -5.2493 -5.1806 -5.1806 -3.8693 -3.8693 -3.8620 -3.8620 2.8031 2.8031 3.1882 3.1882 3.7443 3.7443 3.8241 3.8241 4.2697 4.2697 4.6339 4.6339 4.8572 4.8572 5.7650 5.7650 6.1183 6.1183 7.0399 7.0399 7.5943 7.5943 8.8195 8.8195 10.9666 10.9666 12.5699 12.5699 14.2961 14.2961 k = 0.7831-0.2974-0.7730 ( 3182 PWs) bands (ev): -6.0918 -6.0918 -6.0716 -6.0716 -5.2983 -5.2983 -5.2469 -5.2469 -5.1808 -5.1808 -3.8807 -3.8807 -3.8666 -3.8666 2.7875 2.7875 3.1745 3.1745 3.7529 3.7529 3.8159 3.8159 4.2776 4.2776 4.6468 4.6468 4.8519 4.8519 5.7826 5.7826 6.2073 6.2073 7.1010 7.1010 7.5885 7.5885 8.7143 8.7143 10.9647 10.9647 12.5923 12.5923 14.2705 14.2705 k = 0.7769-0.2877-0.7542 ( 3180 PWs) bands (ev): -6.0927 -6.0927 -6.0705 -6.0705 -5.3000 -5.3000 -5.2445 -5.2445 -5.1810 -5.1810 -3.8941 -3.8941 -3.8715 -3.8715 2.7696 2.7696 3.1646 3.1646 3.7589 3.7589 3.8116 3.8116 4.2846 4.2846 4.6589 4.6589 4.8526 4.8526 5.8027 5.8027 6.2965 6.2965 7.1600 7.1600 7.5830 7.5830 8.6151 8.6151 10.9695 10.9695 12.6133 12.6133 14.2405 14.2405 k = 0.7708-0.2781-0.7355 ( 3180 PWs) bands (ev): -6.0936 -6.0936 -6.0696 -6.0696 -5.3016 -5.3016 -5.2421 -5.2421 -5.1812 -5.1812 -3.9094 -3.9094 -3.8770 -3.8770 2.7497 2.7497 3.1584 3.1584 3.7625 3.7625 3.8108 3.8108 4.2905 4.2905 4.6699 4.6699 4.8584 4.8584 5.8257 5.8257 6.3849 6.3849 7.2154 7.2154 7.5784 7.5784 8.5238 8.5238 10.9809 10.9809 12.6327 12.6327 14.2083 14.2083 k = 0.7646-0.2685-0.7168 ( 3174 PWs) bands (ev): -6.0943 -6.0943 -6.0686 -6.0686 -5.3031 -5.3031 -5.2398 -5.2398 -5.1814 -5.1814 -3.9265 -3.9265 -3.8829 -3.8829 2.7280 2.7280 3.1561 3.1561 3.7647 3.7647 3.8130 3.8130 4.2956 4.2956 4.6799 4.6799 4.8684 4.8684 5.8518 5.8518 6.4715 6.4715 7.2657 7.2657 7.5753 7.5753 8.4429 8.4429 10.9986 10.9986 12.6504 12.6504 14.1753 14.1753 k = 0.7584-0.2588-0.6980 ( 3178 PWs) bands (ev): -6.0950 -6.0950 -6.0678 -6.0678 -5.3045 -5.3045 -5.2375 -5.2375 -5.1818 -5.1818 -3.9455 -3.9455 -3.8892 -3.8892 2.7049 2.7049 3.1575 3.1575 3.7665 3.7665 3.8170 3.8170 4.2999 4.2999 4.6892 4.6892 4.8814 4.8814 5.8811 5.8811 6.5553 6.5553 7.3086 7.3086 7.5744 7.5744 8.3755 8.3755 11.0227 11.0227 12.6662 12.6662 14.1425 14.1425 k = 0.7523-0.2492-0.6793 ( 3180 PWs) bands (ev): -6.0956 -6.0956 -6.0670 -6.0670 -5.3059 -5.3059 -5.2353 -5.2353 -5.1821 -5.1821 -3.9663 -3.9663 -3.8961 -3.8961 2.6807 2.6807 3.1624 3.1624 3.7684 3.7684 3.8222 3.8222 4.3033 4.3033 4.6985 4.6985 4.8962 4.8962 5.9135 5.9135 6.6347 6.6347 7.3419 7.3419 7.5762 7.5762 8.3253 8.3253 11.0528 11.0528 12.6803 12.6803 14.1107 14.1107 k = 0.7461-0.2395-0.6605 ( 3182 PWs) bands (ev): -6.0961 -6.0961 -6.0663 -6.0663 -5.3071 -5.3071 -5.2331 -5.2331 -5.1825 -5.1825 -3.9888 -3.9888 -3.9033 -3.9033 2.6559 2.6559 3.1707 3.1707 3.7705 3.7705 3.8285 3.8285 4.3060 4.3060 4.7079 4.7079 4.9121 4.9121 5.9487 5.9487 6.7078 6.7078 7.3646 7.3646 7.5810 7.5810 8.2958 8.2958 11.0887 11.0887 12.6926 12.6926 14.0802 14.0802 k = 0.7400-0.2299-0.6418 ( 3190 PWs) bands (ev): -6.0965 -6.0965 -6.0656 -6.0656 -5.3082 -5.3082 -5.2311 -5.2311 -5.1830 -5.1830 -4.0130 -4.0130 -3.9111 -3.9111 2.6309 2.6309 3.1820 3.1820 3.7726 3.7726 3.8357 3.8357 4.3078 4.3078 4.7180 4.7180 4.9287 4.9287 5.9862 5.9862 6.7719 6.7719 7.3777 7.3777 7.5886 7.5886 8.2892 8.2892 11.1302 11.1302 12.7032 12.7032 14.0514 14.0514 k = 0.7338-0.2203-0.6230 ( 3200 PWs) bands (ev): -6.0968 -6.0968 -6.0649 -6.0649 -5.3092 -5.3092 -5.2292 -5.2292 -5.1836 -5.1836 -4.0387 -4.0387 -3.9192 -3.9192 2.6062 2.6062 3.1958 3.1958 3.7745 3.7745 3.8440 3.8440 4.3088 4.3088 4.7289 4.7289 4.9456 4.9456 6.0255 6.0255 6.8232 6.8232 7.3858 7.3858 7.5990 7.5990 8.3057 8.3057 11.1771 11.1771 12.7124 12.7124 14.0246 14.0246 k = 0.7277-0.2106-0.6043 ( 3200 PWs) bands (ev): -6.0970 -6.0970 -6.0643 -6.0643 -5.3100 -5.3100 -5.2273 -5.2273 -5.1841 -5.1841 -4.0658 -4.0658 -3.9278 -3.9278 2.5820 2.5820 3.2117 3.2117 3.7762 3.7762 3.8533 3.8533 4.3089 4.3089 4.7408 4.7408 4.9629 4.9629 6.0659 6.0659 6.8576 6.8576 7.3955 7.3955 7.6125 7.6125 8.3431 8.3431 11.2291 11.2291 12.7202 12.7202 13.9998 13.9998 k = 0.7215-0.2010-0.5856 ( 3200 PWs) bands (ev): -6.0970 -6.0970 -6.0638 -6.0638 -5.3107 -5.3107 -5.2255 -5.2255 -5.1847 -5.1847 -4.0943 -4.0943 -3.9368 -3.9368 2.5589 2.5589 3.2290 3.2290 3.7777 3.7777 3.8633 3.8633 4.3082 4.3082 4.7538 4.7538 4.9805 4.9805 6.1066 6.1066 6.8717 6.8717 7.4135 7.4135 7.6299 7.6299 8.3981 8.3981 11.2860 11.2860 12.7269 12.7269 13.9771 13.9771 k = 0.7154-0.1913-0.5668 ( 3192 PWs) bands (ev): -6.0969 -6.0969 -6.0632 -6.0632 -5.3112 -5.3112 -5.2238 -5.2238 -5.1853 -5.1853 -4.1240 -4.1240 -3.9462 -3.9462 2.5371 2.5371 3.2472 3.2472 3.7790 3.7790 3.8740 3.8740 4.3067 4.3067 4.7679 4.7679 4.9983 4.9983 6.1471 6.1471 6.8660 6.8660 7.4429 7.4429 7.6516 7.6516 8.4672 8.4672 11.3474 11.3474 12.7329 12.7329 13.9564 13.9564 k = 0.7092-0.1817-0.5481 ( 3194 PWs) bands (ev): -6.0968 -6.0968 -6.0627 -6.0627 -5.3116 -5.3116 -5.2223 -5.2223 -5.1860 -5.1860 -4.1547 -4.1547 -3.9559 -3.9559 2.5169 2.5169 3.2655 3.2655 3.7801 3.7801 3.8852 3.8852 4.3045 4.3045 4.7830 4.7830 5.0162 5.0162 6.1867 6.1867 6.8445 6.8445 7.4829 7.4829 7.6783 7.6783 8.5474 8.5474 11.4133 11.4133 12.7383 12.7383 13.9376 13.9376 k = 0.7031-0.1721-0.5293 ( 3192 PWs) bands (ev): -6.0965 -6.0965 -6.0622 -6.0622 -5.3119 -5.3119 -5.2208 -5.2208 -5.1866 -5.1866 -4.1865 -4.1865 -3.9660 -3.9660 2.4984 2.4984 3.2831 3.2831 3.7810 3.7810 3.8971 3.8971 4.3021 4.3021 4.7992 4.7992 5.0341 5.0341 6.2249 6.2249 6.8132 6.8132 7.5304 7.5304 7.7101 7.7101 8.6363 8.6363 11.4833 11.4833 12.7434 12.7434 13.9203 13.9203 k = 0.6969-0.1624-0.5106 ( 3188 PWs) bands (ev): -6.0961 -6.0961 -6.0618 -6.0618 -5.3119 -5.3119 -5.2195 -5.2195 -5.1873 -5.1873 -4.2190 -4.2190 -3.9764 -3.9764 2.4820 2.4820 3.2994 3.2994 3.7811 3.7811 3.9099 3.9099 4.2996 4.2996 4.8161 4.8161 5.0516 5.0516 6.2614 6.2614 6.7775 6.7775 7.5823 7.5823 7.7471 7.7471 8.7322 8.7322 11.5573 11.5573 12.7487 12.7487 13.9040 13.9040 k = 0.6908-0.1528-0.4919 ( 3190 PWs) bands (ev): -6.0957 -6.0957 -6.0614 -6.0614 -5.3119 -5.3119 -5.2183 -5.2183 -5.1880 -5.1880 -4.2523 -4.2523 -3.9871 -3.9871 2.4678 2.4678 3.3136 3.3136 3.7800 3.7800 3.9241 3.9241 4.2974 4.2974 4.8334 4.8334 5.0684 5.0684 6.2959 6.2959 6.7419 6.7419 7.6362 7.6362 7.7892 7.7892 8.8336 8.8336 11.6350 11.6350 12.7545 12.7545 13.8878 13.8878 k = 0.6846-0.1432-0.4731 ( 3190 PWs) bands (ev): -6.0951 -6.0951 -6.0610 -6.0610 -5.3117 -5.3117 -5.2173 -5.2173 -5.1887 -5.1887 -4.2862 -4.2862 -3.9980 -3.9980 2.4560 2.4560 3.3254 3.3254 3.7769 3.7769 3.9401 3.9401 4.2959 4.2959 4.8503 4.8503 5.0845 5.0845 6.3285 6.3285 6.7099 6.7099 7.6905 7.6905 7.8360 7.8360 8.9394 8.9394 11.7161 11.7161 12.7611 12.7611 13.8706 13.8706 k = 0.6785-0.1335-0.4544 ( 3190 PWs) bands (ev): -6.0945 -6.0945 -6.0606 -6.0606 -5.3113 -5.3113 -5.2163 -5.2163 -5.1894 -5.1894 -4.3205 -4.3205 -4.0091 -4.0091 2.4466 2.4466 3.3345 3.3345 3.7712 3.7712 3.9583 3.9583 4.2954 4.2954 4.8657 4.8657 5.1002 5.1002 6.3591 6.3591 6.6840 6.6840 7.7441 7.7441 7.8872 7.8872 9.0486 9.0486 11.8006 11.8006 12.7689 12.7689 13.8508 13.8508 k = 0.6723-0.1239-0.4356 ( 3188 PWs) bands (ev): -6.0938 -6.0938 -6.0603 -6.0603 -5.3108 -5.3108 -5.2155 -5.2155 -5.1901 -5.1901 -4.3552 -4.3552 -4.0204 -4.0204 2.4397 2.4397 3.3406 3.3406 3.7624 3.7624 3.9789 3.9789 4.2960 4.2960 4.8776 4.8776 5.1165 5.1165 6.3883 6.3883 6.6663 6.6663 7.7965 7.7965 7.9423 7.9423 9.1603 9.1603 11.8882 11.8882 12.7784 12.7784 13.8265 13.8265 k = 0.6661-0.1142-0.4169 ( 3180 PWs) bands (ev): -6.0929 -6.0929 -6.0600 -6.0600 -5.3100 -5.3100 -5.2149 -5.2149 -5.1907 -5.1907 -4.3901 -4.3901 -4.0318 -4.0318 2.4354 2.4354 3.3441 3.3441 3.7502 3.7502 4.0016 4.0016 4.2979 4.2979 4.8838 4.8838 5.1352 5.1352 6.4164 6.4164 6.6578 6.6578 7.8473 7.8473 8.0007 8.0007 9.2738 9.2738 11.9787 11.9787 12.7900 12.7900 13.7951 13.7951 k = 0.6600-0.1046-0.3982 ( 3180 PWs) bands (ev): -6.0921 -6.0921 -6.0597 -6.0597 -5.3091 -5.3091 -5.2143 -5.2143 -5.1914 -5.1914 -4.4251 -4.4251 -4.0432 -4.0432 2.4338 2.4338 3.3449 3.3449 3.7349 3.7349 4.0259 4.0259 4.3010 4.3010 4.8818 4.8818 5.1580 5.1580 6.4439 6.4439 6.6594 6.6594 7.8963 7.8963 8.0616 8.0616 9.3881 9.3881 12.0719 12.0719 12.8041 12.8041 13.7545 13.7545 k = 0.6538-0.0950-0.3794 ( 3180 PWs) bands (ev): -6.0912 -6.0912 -6.0594 -6.0594 -5.3081 -5.3081 -5.2139 -5.2139 -5.1920 -5.1920 -4.4600 -4.4600 -4.0548 -4.0548 2.4349 2.4349 3.3435 3.3435 3.7166 3.7166 4.0511 4.0511 4.3052 4.3052 4.8702 4.8702 5.1864 5.1864 6.4715 6.4715 6.6713 6.6713 7.9436 7.9436 8.1245 8.1245 9.5027 9.5027 12.1676 12.1676 12.8213 12.8213 13.7026 13.7026 k = 0.6477-0.0853-0.3607 ( 3182 PWs) bands (ev): -6.0902 -6.0902 -6.0591 -6.0591 -5.3068 -5.3068 -5.2137 -5.2137 -5.1925 -5.1925 -4.4949 -4.4949 -4.0663 -4.0663 2.4386 2.4386 3.3402 3.3402 3.6957 3.6957 4.0766 4.0766 4.3104 4.3104 4.8488 4.8488 5.2207 5.2207 6.4997 6.4997 6.6932 6.6932 7.9891 7.9891 8.1885 8.1885 9.6165 9.6165 12.2655 12.2655 12.8422 12.8422 13.6386 13.6386 k = 0.6415-0.0757-0.3419 ( 3182 PWs) bands (ev): -6.0892 -6.0892 -6.0588 -6.0588 -5.3053 -5.3053 -5.2136 -5.2136 -5.1930 -5.1930 -4.5295 -4.5295 -4.0777 -4.0777 2.4451 2.4451 3.3352 3.3352 3.6728 3.6728 4.1017 4.1017 4.3162 4.3162 4.8184 4.8184 5.2605 5.2605 6.5287 6.5287 6.7248 6.7248 8.0330 8.0330 8.2530 8.2530 9.7290 9.7290 12.3651 12.3651 12.8675 12.8675 13.5628 13.5628 k = 0.6354-0.0660-0.3232 ( 3174 PWs) bands (ev): -6.0882 -6.0882 -6.0585 -6.0585 -5.3035 -5.3035 -5.2135 -5.2135 -5.1935 -5.1935 -4.5638 -4.5638 -4.0891 -4.0891 2.4544 2.4544 3.3290 3.3290 3.6482 3.6482 4.1257 4.1257 4.3226 4.3226 4.7805 4.7805 5.3049 5.3049 6.5591 6.5591 6.7653 6.7653 8.0754 8.0754 8.3173 8.3173 9.8391 9.8391 12.4658 12.4658 12.8979 12.8979 13.4766 13.4766 k = 0.6292-0.0564-0.3045 ( 3172 PWs) bands (ev): -6.0871 -6.0871 -6.0582 -6.0582 -5.3016 -5.3016 -5.2136 -5.2136 -5.1939 -5.1939 -4.5976 -4.5976 -4.1003 -4.1003 2.4663 2.4663 3.3217 3.3217 3.6225 3.6225 4.1481 4.1481 4.3292 4.3292 4.7366 4.7366 5.3528 5.3528 6.5911 6.5911 6.8139 6.8139 8.1166 8.1166 8.3809 8.3809 9.9462 9.9462 12.5664 12.5664 12.9344 12.9344 13.3823 13.3823 k = 0.6231-0.0468-0.2857 ( 3174 PWs) bands (ev): -6.0861 -6.0861 -6.0579 -6.0579 -5.2994 -5.2994 -5.2137 -5.2137 -5.1943 -5.1943 -4.6310 -4.6310 -4.1113 -4.1113 2.4808 2.4808 3.3136 3.3136 3.5960 3.5960 4.1681 4.1681 4.3357 4.3357 4.6885 4.6885 5.4030 5.4030 6.6253 6.6253 6.8695 6.8695 8.1568 8.1568 8.4431 8.4431 10.0491 10.0491 12.6644 12.6644 12.9782 12.9782 13.2831 13.2831 k = 0.6169-0.0371-0.2670 ( 3168 PWs) bands (ev): -6.0850 -6.0850 -6.0575 -6.0575 -5.2969 -5.2969 -5.2140 -5.2140 -5.1946 -5.1946 -4.6637 -4.6637 -4.1221 -4.1221 2.4981 2.4981 3.3050 3.3050 3.5690 3.5690 4.1849 4.1849 4.3418 4.3418 4.6383 4.6383 5.4546 5.4546 6.6624 6.6624 6.9308 6.9308 8.1962 8.1962 8.5034 8.5034 10.1472 10.1472 12.7542 12.7542 13.0304 13.0304 13.1855 13.1855 k = 0.6108-0.0275-0.2482 ( 3166 PWs) bands (ev): -6.0840 -6.0840 -6.0570 -6.0570 -5.2942 -5.2942 -5.2142 -5.2142 -5.1948 -5.1948 -4.6957 -4.6957 -4.1326 -4.1326 2.5179 2.5179 3.2960 3.2960 3.5420 3.5420 4.1974 4.1974 4.3470 4.3470 4.5882 4.5882 5.5063 5.5063 6.7030 6.7030 6.9966 6.9966 8.2352 8.2352 8.5614 8.5614 10.2394 10.2394 12.8185 12.8185 13.0764 13.0764 13.1232 13.1232 k = 0.6046-0.0179-0.2295 ( 3160 PWs) bands (ev): -6.0831 -6.0831 -6.0566 -6.0566 -5.2912 -5.2912 -5.2145 -5.2145 -5.1951 -5.1951 -4.7270 -4.7270 -4.1428 -4.1428 2.5403 2.5403 3.2869 3.2869 3.5153 3.5153 4.2035 4.2035 4.3512 4.3512 4.5413 4.5413 5.5572 5.5572 6.7477 6.7477 7.0657 7.0657 8.2742 8.2742 8.6166 8.6166 10.3251 10.3251 12.8124 12.8124 13.0733 13.0733 13.1851 13.1851 k = 0.5985-0.0082-0.2108 ( 3152 PWs) bands (ev): -6.0821 -6.0821 -6.0560 -6.0560 -5.2880 -5.2880 -5.2148 -5.2148 -5.1953 -5.1953 -4.7575 -4.7575 -4.1526 -4.1526 2.5652 2.5652 3.2776 3.2776 3.4890 3.4890 4.2000 4.2000 4.3540 4.3540 4.5015 4.5015 5.6063 5.6063 6.7968 6.7968 7.1369 7.1369 8.3135 8.3135 8.6687 8.6687 10.4034 10.4034 12.7304 12.7304 13.1214 13.1214 13.2776 13.2776 k = 0.5923 0.0014-0.1920 ( 3150 PWs) bands (ev): -6.0813 -6.0813 -6.0555 -6.0555 -5.2844 -5.2844 -5.2151 -5.2151 -5.1954 -5.1954 -4.7871 -4.7871 -4.1621 -4.1621 2.5925 2.5925 3.2684 3.2684 3.4635 3.4635 4.1831 4.1831 4.3561 4.3561 4.4726 4.4726 5.6528 5.6528 6.8507 6.8507 7.2090 7.2090 8.3535 8.3535 8.7172 8.7172 10.4736 10.4736 12.6196 12.6196 13.1930 13.1930 13.3819 13.3819 k = 0.5861 0.0111-0.1733 ( 3150 PWs) bands (ev): -6.0805 -6.0805 -6.0549 -6.0549 -5.2806 -5.2806 -5.2154 -5.2154 -5.1956 -5.1956 -4.8157 -4.8157 -4.1711 -4.1711 2.6223 2.6223 3.2593 3.2593 3.4389 3.4389 4.1511 4.1511 4.3588 4.3588 4.4555 4.4555 5.6961 5.6961 6.9092 6.9092 7.2810 7.2810 8.3946 8.3946 8.7620 8.7620 10.5354 10.5354 12.4997 12.4997 13.2731 13.2731 13.4921 13.4921 k = 0.5800 0.0207-0.1545 ( 3146 PWs) bands (ev): -6.0798 -6.0798 -6.0543 -6.0543 -5.2765 -5.2765 -5.2156 -5.2156 -5.1958 -5.1958 -4.8434 -4.8434 -4.1796 -4.1796 2.6544 2.6544 3.2505 3.2505 3.4154 3.4154 4.1061 4.1061 4.3628 4.3628 4.4476 4.4476 5.7356 5.7356 6.9721 6.9721 7.3518 7.3518 8.4373 8.4373 8.8027 8.8027 10.5884 10.5884 12.3768 12.3768 13.3587 13.3587 13.5950 13.5950 k = 0.5738 0.0303-0.1358 ( 3144 PWs) bands (ev): -6.0791 -6.0791 -6.0536 -6.0536 -5.2721 -5.2721 -5.2157 -5.2157 -5.1959 -5.1959 -4.8699 -4.8699 -4.1877 -4.1877 2.6887 2.6887 3.2420 3.2420 3.3933 3.3933 4.0523 4.0523 4.3681 4.3681 4.4454 4.4454 5.7712 5.7712 7.0388 7.0388 7.4206 7.4206 8.4816 8.4816 8.8393 8.8393 10.6325 10.6325 12.2539 12.2539 13.4490 13.4490 13.5903 13.5903 k = 0.5677 0.0400-0.1171 ( 3150 PWs) bands (ev): -6.0786 -6.0786 -6.0530 -6.0530 -5.2676 -5.2676 -5.2157 -5.2157 -5.1960 -5.1960 -4.8954 -4.8954 -4.1952 -4.1952 2.7251 2.7251 3.2339 3.2339 3.3726 3.3726 3.9931 3.9931 4.3741 4.3741 4.4463 4.4463 5.8028 5.8028 7.1082 7.1082 7.4865 7.4865 8.5277 8.5277 8.8714 8.8714 10.6678 10.6678 12.1326 12.1326 13.5049 13.5049 13.5431 13.5431 k = 0.5615 0.0496-0.0983 ( 3148 PWs) bands (ev): -6.0782 -6.0782 -6.0523 -6.0523 -5.2629 -5.2629 -5.2154 -5.2154 -5.1961 -5.1961 -4.9196 -4.9196 -4.2021 -4.2021 2.7636 2.7636 3.2262 3.2262 3.3536 3.3536 3.9308 3.9308 4.3802 4.3802 4.4489 4.4489 5.8304 5.8304 7.1792 7.1792 7.5492 7.5492 8.5754 8.5754 8.8992 8.8992 10.6946 10.6946 12.0147 12.0147 13.4165 13.4165 13.6396 13.6396 k = 0.5554 0.0593-0.0796 ( 3146 PWs) bands (ev): -6.0777 -6.0777 -6.0516 -6.0516 -5.2580 -5.2580 -5.2149 -5.2149 -5.1962 -5.1962 -4.9426 -4.9426 -4.2085 -4.2085 2.8040 2.8040 3.2191 3.2191 3.3362 3.3362 3.8669 3.8669 4.3860 4.3860 4.4522 4.4522 5.8543 5.8543 7.2501 7.2501 7.6082 7.6082 8.6241 8.6241 8.9227 8.9227 10.7134 10.7134 11.9015 11.9015 13.3319 13.3319 13.7369 13.7369 k = 0.5492 0.0689-0.0608 ( 3142 PWs) bands (ev): -6.0774 -6.0774 -6.0509 -6.0509 -5.2533 -5.2533 -5.2139 -5.2139 -5.1962 -5.1962 -4.9643 -4.9643 -4.2142 -4.2142 2.8460 2.8460 3.2127 3.2127 3.3208 3.3208 3.8024 3.8024 4.3914 4.3914 4.4559 4.4559 5.8748 5.8748 7.3191 7.3191 7.6636 7.6636 8.6731 8.6731 8.9421 8.9421 10.7249 10.7249 11.7945 11.7945 13.2531 13.2531 13.8330 13.8330 k = 0.5431 0.0785-0.0421 ( 3142 PWs) bands (ev): -6.0771 -6.0771 -6.0503 -6.0503 -5.2488 -5.2488 -5.2124 -5.2124 -5.1961 -5.1961 -4.9845 -4.9845 -4.2193 -4.2193 2.8896 2.8896 3.2070 3.2070 3.3073 3.3073 3.7379 3.7379 4.3961 4.3961 4.4596 4.4596 5.8920 5.8920 7.3842 7.3842 7.7155 7.7155 8.7208 8.7208 8.9579 8.9579 10.7301 10.7301 11.6951 11.6951 13.1813 13.1813 13.9253 13.9253 k = 0.5369 0.0882-0.0234 ( 3134 PWs) bands (ev): -6.0768 -6.0768 -6.0497 -6.0497 -5.2448 -5.2448 -5.2103 -5.2103 -5.1959 -5.1959 -5.0031 -5.0031 -4.2238 -4.2238 2.9342 2.9342 3.2022 3.2022 3.2960 3.2960 3.6740 3.6740 4.4003 4.4003 4.4632 4.4632 5.9064 5.9064 7.4434 7.4434 7.7641 7.7641 8.7654 8.7654 8.9710 8.9710 10.7301 10.7301 11.6049 11.6049 13.1174 13.1174 14.0110 14.0110 k = 0.5308 0.0978-0.0046 ( 3130 PWs) bands (ev): -6.0766 -6.0766 -6.0492 -6.0492 -5.2415 -5.2415 -5.2076 -5.2076 -5.1956 -5.1956 -5.0200 -5.0200 -4.2276 -4.2276 2.9792 2.9792 3.1986 3.1986 3.2870 3.2870 3.6111 3.6111 4.4037 4.4037 4.4664 4.4664 5.9180 5.9180 7.4949 7.4949 7.8091 7.8091 8.8046 8.8046 8.9825 8.9825 10.7263 10.7263 11.5253 11.5253 13.0621 13.0621 14.0871 14.0871 k = 0.5246 0.1074 0.0141 ( 3128 PWs) bands (ev): -6.0765 -6.0765 -6.0487 -6.0487 -5.2390 -5.2390 -5.2047 -5.2047 -5.1949 -5.1949 -5.0348 -5.0348 -4.2308 -4.2308 3.0234 3.0234 3.1966 3.1966 3.2809 3.2809 3.5499 3.5499 4.4065 4.4065 4.4692 4.4692 5.9273 5.9273 7.5374 7.5374 7.8498 7.8498 8.8361 8.8361 8.9939 8.9939 10.7202 10.7202 11.4577 11.4577 13.0161 13.0161 14.1511 14.1511 k = 0.5185 0.1171 0.0329 ( 3126 PWs) bands (ev): -6.0763 -6.0763 -6.0484 -6.0484 -5.2372 -5.2372 -5.2022 -5.2022 -5.1935 -5.1935 -5.0472 -5.0472 -4.2332 -4.2332 3.0645 3.0645 3.1970 3.1970 3.2786 3.2786 3.4909 3.4909 4.4086 4.4086 4.4714 4.4714 5.9343 5.9343 7.5703 7.5703 7.8848 7.8848 8.8582 8.8582 9.0057 9.0057 10.7132 10.7132 11.4036 11.4036 12.9799 12.9799 14.2012 14.2012 k = 0.5123 0.1267 0.0516 ( 3122 PWs) bands (ev): -6.0763 -6.0763 -6.0481 -6.0481 -5.2361 -5.2361 -5.2007 -5.2007 -5.1914 -5.1914 -5.0568 -5.0568 -4.2350 -4.2350 3.0983 3.0983 3.2007 3.2007 3.2823 3.2823 3.4356 3.4356 4.4102 4.4102 4.4730 4.4730 5.9391 5.9391 7.5935 7.5935 7.9120 7.9120 8.8716 8.8716 9.0169 9.0169 10.7070 10.7070 11.3640 11.3640 12.9538 12.9538 14.2366 14.2366 k = 0.5062 0.1364 0.0703 ( 3116 PWs) bands (ev): -6.0762 -6.0762 -6.0479 -6.0479 -5.2354 -5.2354 -5.2000 -5.2000 -5.1896 -5.1896 -5.0628 -5.0628 -4.2360 -4.2360 3.1194 3.1194 3.2065 3.2065 3.2954 3.2954 3.3871 3.3871 4.4111 4.4111 4.4741 4.4741 5.9420 5.9420 7.6072 7.6072 7.9293 7.9293 8.8782 8.8782 9.0250 9.0250 10.7027 10.7027 11.3398 11.3398 12.9381 12.9381 14.2576 14.2576 k = 0.5000 0.1460 0.0891 ( 3112 PWs) bands (ev): -6.0761 -6.0761 -6.0478 -6.0478 -5.2352 -5.2352 -5.1998 -5.1998 -5.1889 -5.1889 -5.0649 -5.0649 -4.2364 -4.2364 3.1261 3.1261 3.2095 3.2095 3.3091 3.3091 3.3609 3.3609 4.4114 4.4114 4.4744 4.4744 5.9430 5.9430 7.6118 7.6118 7.9353 7.9353 8.8802 8.8802 9.0280 9.0280 10.7011 10.7011 11.3317 11.3317 12.9328 12.9328 14.2645 14.2645 k = 0.5000 0.1460 0.0891 ( 3112 PWs) bands (ev): -6.0761 -6.0761 -6.0478 -6.0478 -5.2352 -5.2352 -5.1998 -5.1998 -5.1889 -5.1889 -5.0649 -5.0649 -4.2364 -4.2364 3.1261 3.1261 3.2095 3.2095 3.3091 3.3091 3.3609 3.3609 4.4114 4.4114 4.4744 4.4744 5.9430 5.9430 7.6118 7.6118 7.9353 7.9353 8.8802 8.8802 9.0280 9.0280 10.7011 10.7011 11.3317 11.3317 12.9328 12.9328 14.2645 14.2645 k = 0.4792 0.1399 0.0854 ( 3112 PWs) bands (ev): -6.0761 -6.0761 -6.0479 -6.0479 -5.2352 -5.2352 -5.2001 -5.2001 -5.1889 -5.1889 -5.0655 -5.0655 -4.2349 -4.2349 3.1262 3.1262 3.1726 3.1726 3.2836 3.2836 3.4233 3.4233 4.4119 4.4119 4.4744 4.4744 5.9450 5.9450 7.6114 7.6114 7.9350 7.9350 8.8809 8.8809 9.0287 9.0287 10.6772 10.6772 11.3497 11.3497 12.9384 12.9384 14.2555 14.2555 k = 0.4583 0.1338 0.0817 ( 3124 PWs) bands (ev): -6.0762 -6.0762 -6.0480 -6.0480 -5.2353 -5.2353 -5.2011 -5.2011 -5.1890 -5.1890 -5.0672 -5.0672 -4.2306 -4.2306 3.0912 3.0912 3.1262 3.1262 3.2739 3.2739 3.5149 3.5149 4.4133 4.4133 4.4743 4.4743 5.9510 5.9510 7.6103 7.6103 7.9339 7.9339 8.8829 8.8829 9.0306 9.0306 10.6125 10.6125 11.3962 11.3962 12.9552 12.9552 14.2295 14.2295 k = 0.4375 0.1278 0.0780 ( 3124 PWs) bands (ev): -6.0762 -6.0762 -6.0481 -6.0481 -5.2354 -5.2354 -5.2028 -5.2028 -5.1890 -5.1890 -5.0699 -5.0699 -4.2234 -4.2234 2.9995 2.9995 3.1264 3.1264 3.2714 3.2714 3.6095 3.6095 4.4158 4.4158 4.4744 4.4744 5.9611 5.9611 7.6085 7.6085 7.9322 7.9322 8.8862 8.8862 9.0338 9.0338 10.5207 10.5207 11.4574 11.4574 12.9836 12.9836 14.1894 14.1894 k = 0.4167 0.1217 0.0742 ( 3126 PWs) bands (ev): -6.0762 -6.0762 -6.0482 -6.0482 -5.2356 -5.2356 -5.2051 -5.2051 -5.1890 -5.1890 -5.0734 -5.0734 -4.2137 -4.2137 2.9064 2.9064 3.1266 3.1266 3.2706 3.2706 3.7036 3.7036 4.4197 4.4197 4.4744 4.4744 5.9754 5.9754 7.6061 7.6061 7.9299 7.9299 8.8908 8.8908 9.0383 9.0383 10.4124 10.4124 11.5224 11.5224 13.0239 13.0239 14.1388 14.1388 k = 0.3958 0.1156 0.0705 ( 3126 PWs) bands (ev): -6.0762 -6.0762 -6.0484 -6.0484 -5.2358 -5.2358 -5.2081 -5.2081 -5.1890 -5.1890 -5.0775 -5.0775 -4.2017 -4.2017 2.8141 2.8141 3.1268 3.1268 3.2704 3.2704 3.7954 3.7954 4.4252 4.4252 4.4744 4.4744 5.9943 5.9943 7.6031 7.6031 7.9269 7.9269 8.8966 8.8966 9.0438 9.0438 10.2939 10.2939 11.5847 11.5847 13.0763 13.0763 14.0811 14.0811 k = 0.3750 0.1095 0.0668 ( 3126 PWs) bands (ev): -6.0762 -6.0762 -6.0486 -6.0486 -5.2363 -5.2363 -5.2117 -5.2117 -5.1890 -5.1890 -5.0820 -5.0820 -4.1876 -4.1876 2.7235 2.7235 3.1271 3.1271 3.2705 3.2705 3.8835 3.8835 4.4328 4.4328 4.4745 4.4745 6.0179 6.0179 7.5996 7.5996 7.9235 7.9235 8.9034 8.9034 9.0504 9.0504 10.1687 10.1687 11.6408 11.6408 13.1409 13.1409 14.0189 14.0189 k = 0.3542 0.1034 0.0631 ( 3126 PWs) bands (ev): -6.0762 -6.0762 -6.0488 -6.0488 -5.2369 -5.2369 -5.2159 -5.2159 -5.1890 -5.1890 -5.0867 -5.0867 -4.1718 -4.1718 2.6353 2.6353 3.1274 3.1274 3.2707 3.2707 3.9664 3.9664 4.4433 4.4433 4.4745 4.4745 6.0466 6.0466 7.5956 7.5956 7.9196 7.9196 8.9111 8.9111 9.0578 9.0578 10.0391 10.0391 11.6889 11.6889 13.2171 13.2171 13.9544 13.9544 k = 0.3333 0.0973 0.0594 ( 3123 PWs) bands (ev): -6.0762 -6.0762 -6.0491 -6.0491 -5.2380 -5.2380 -5.2202 -5.2202 -5.1890 -5.1890 -5.0913 -5.0913 -4.1546 -4.1546 2.5499 2.5499 3.1278 3.1278 3.2709 3.2709 4.0423 4.0423 4.4577 4.4577 4.4746 4.4746 6.0807 6.0807 7.5913 7.5913 7.9154 7.9154 8.9196 8.9196 9.0660 9.0660 9.9065 9.9065 11.7286 11.7286 13.3042 13.3042 13.8894 13.8894 k = 0.3125 0.0913 0.0557 ( 3126 PWs) bands (ev): -6.0762 -6.0762 -6.0494 -6.0494 -5.2401 -5.2401 -5.2244 -5.2244 -5.1891 -5.1891 -5.0958 -5.0958 -4.1363 -4.1363 2.4678 2.4678 3.1282 3.1282 3.2713 3.2713 4.1090 4.1090 4.4747 4.4747 4.4773 4.4773 6.1206 6.1206 7.5868 7.5868 7.9108 7.9108 8.9287 8.9287 9.0749 9.0749 9.7718 9.7718 11.7602 11.7602 13.4007 13.4007 13.8250 13.8250 k = 0.2917 0.0852 0.0520 ( 3132 PWs) bands (ev): -6.0763 -6.0763 -6.0497 -6.0497 -5.2437 -5.2437 -5.2276 -5.2276 -5.1891 -5.1891 -5.0999 -5.0999 -4.1174 -4.1174 2.3891 2.3891 3.1285 3.1285 3.2717 3.2717 4.1649 4.1649 4.4747 4.4747 4.5032 4.5032 6.1666 6.1666 7.5823 7.5823 7.9061 7.9061 8.9381 8.9381 9.0842 9.0842 9.6359 9.6359 11.7843 11.7843 13.5050 13.5050 13.7623 13.7623 k = 0.2708 0.0791 0.0483 ( 3132 PWs) bands (ev): -6.0763 -6.0763 -6.0500 -6.0500 -5.2488 -5.2488 -5.2297 -5.2297 -5.1891 -5.1891 -5.1036 -5.1036 -4.0980 -4.0980 2.3144 2.3144 3.1290 3.1290 3.2721 3.2721 4.2090 4.2090 4.4748 4.4748 4.5356 4.5356 6.2188 6.2188 7.5777 7.5777 7.9012 7.9012 8.9476 8.9476 9.0939 9.0939 9.4995 9.4995 11.8020 11.8020 13.6140 13.6140 13.7037 13.7037 k = 0.2500 0.0730 0.0445 ( 3144 PWs) bands (ev): -6.0764 -6.0764 -6.0504 -6.0504 -5.2551 -5.2551 -5.2309 -5.2309 -5.1892 -5.1892 -5.1069 -5.1069 -4.0786 -4.0786 2.2438 2.2438 3.1294 3.1294 3.2725 3.2725 4.2420 4.2420 4.4749 4.4749 4.5734 4.5734 6.2774 6.2774 7.5733 7.5733 7.8963 7.8963 8.9568 8.9568 9.1037 9.1037 9.3633 9.3633 11.8143 11.8143 13.6391 13.6391 13.7365 13.7365 k = 0.2292 0.0669 0.0408 ( 3141 PWs) bands (ev): -6.0764 -6.0764 -6.0507 -6.0507 -5.2619 -5.2619 -5.2316 -5.2316 -5.1892 -5.1892 -5.1097 -5.1097 -4.0594 -4.0594 2.1777 2.1777 3.1298 3.1298 3.2729 3.2729 4.2660 4.2660 4.4749 4.4749 4.6144 4.6144 6.3423 6.3423 7.5693 7.5693 7.8915 7.8915 8.9645 8.9645 9.1135 9.1135 9.2286 9.2286 11.8223 11.8223 13.5864 13.5864 13.8534 13.8534 k = 0.2083 0.0608 0.0371 ( 3165 PWs) bands (ev): -6.0765 -6.0765 -6.0512 -6.0512 -5.2690 -5.2690 -5.2321 -5.2321 -5.1894 -5.1894 -5.1122 -5.1122 -4.0408 -4.0408 2.1163 2.1163 3.1302 3.1302 3.2733 3.2733 4.2830 4.2830 4.4749 4.4749 4.6556 4.6556 6.4132 6.4132 7.5658 7.5658 7.8868 7.8868 8.9658 8.9658 9.1007 9.1007 9.1231 9.1231 11.8269 11.8269 13.5357 13.5357 13.8765 13.8765 k = 0.1875 0.0548 0.0334 ( 3159 PWs) bands (ev): -6.0764 -6.0764 -6.0514 -6.0514 -5.2759 -5.2759 -5.2324 -5.2324 -5.1894 -5.1894 -5.1143 -5.1143 -4.0231 -4.0231 2.0599 2.0599 3.1306 3.1306 3.2738 3.2738 4.2954 4.2954 4.4750 4.4750 4.6954 4.6954 6.4896 6.4896 7.5631 7.5631 7.8823 7.8823 8.9211 8.9211 9.0197 9.0197 9.1324 9.1324 11.8288 11.8288 13.4887 13.4887 13.8271 13.8271 k = 0.1667 0.0487 0.0297 ( 3159 PWs) bands (ev): -6.0764 -6.0764 -6.0517 -6.0517 -5.2826 -5.2826 -5.2326 -5.2326 -5.1894 -5.1894 -5.1161 -5.1161 -4.0064 -4.0064 2.0087 2.0087 3.1310 3.1310 3.2742 3.2742 4.3045 4.3045 4.4751 4.4751 4.7320 4.7320 6.5707 6.5707 7.5614 7.5614 7.8781 7.8781 8.8045 8.8045 9.0115 9.0115 9.1411 9.1411 11.8289 11.8289 13.4459 13.4459 13.7823 13.7823 k = 0.1458 0.0426 0.0260 ( 3159 PWs) bands (ev): -6.0764 -6.0764 -6.0520 -6.0520 -5.2887 -5.2887 -5.2327 -5.2327 -5.1894 -5.1894 -5.1176 -5.1176 -3.9911 -3.9911 1.9629 1.9629 3.1314 3.1314 3.2746 3.2746 4.3113 4.3113 4.4751 4.4751 4.7648 4.7648 6.6551 6.6551 7.5611 7.5611 7.8742 7.8742 8.6769 8.6769 9.0162 9.0162 9.1493 9.1493 11.8277 11.8277 13.4076 13.4076 13.7423 13.7423 k = 0.1250 0.0365 0.0223 ( 3171 PWs) bands (ev): -6.0765 -6.0765 -6.0524 -6.0524 -5.2944 -5.2944 -5.2329 -5.2329 -5.1895 -5.1895 -5.1188 -5.1188 -3.9774 -3.9774 1.9228 1.9228 3.1317 3.1317 3.2749 3.2749 4.3163 4.3163 4.4752 4.4752 4.7932 4.7932 6.7412 6.7412 7.5628 7.5628 7.8707 7.8707 8.5503 8.5503 9.0224 9.0224 9.1566 9.1566 11.8256 11.8256 13.3740 13.3740 13.7073 13.7073 k = 0.1042 0.0304 0.0186 ( 3153 PWs) bands (ev): -6.0764 -6.0764 -6.0525 -6.0525 -5.2992 -5.2992 -5.2329 -5.2329 -5.1894 -5.1894 -5.1198 -5.1198 -3.9654 -3.9654 1.8886 1.8886 3.1320 3.1320 3.2752 3.2752 4.3202 4.3202 4.4753 4.4753 4.8171 4.8171 6.8268 6.8268 7.5671 7.5671 7.8677 7.8677 8.4276 8.4276 9.0285 9.0285 9.1631 9.1631 11.8233 11.8233 13.3452 13.3452 13.6773 13.6773 k = 0.0833 0.0243 0.0148 ( 3153 PWs) bands (ev): -6.0764 -6.0764 -6.0527 -6.0527 -5.3033 -5.3033 -5.2329 -5.2329 -5.1894 -5.1894 -5.1206 -5.1206 -3.9554 -3.9554 1.8603 1.8603 3.1322 3.1322 3.2755 3.2755 4.3230 4.3230 4.4753 4.4753 4.8365 4.8365 6.9085 6.9085 7.5750 7.5750 7.8652 7.8652 8.3114 8.3114 9.0338 9.0338 9.1685 9.1685 11.8209 11.8209 13.3215 13.3215 13.6527 13.6527 k = 0.0625 0.0183 0.0111 ( 3141 PWs) bands (ev): -6.0764 -6.0764 -6.0528 -6.0528 -5.3065 -5.3065 -5.2330 -5.2330 -5.1893 -5.1893 -5.1211 -5.1211 -3.9474 -3.9474 1.8382 1.8382 3.1325 3.1325 3.2757 3.2757 4.3251 4.3251 4.4754 4.4754 4.8516 4.8516 6.9817 6.9817 7.5873 7.5873 7.8632 7.8632 8.2054 8.2054 9.0381 9.0381 9.1729 9.1729 11.8188 11.8188 13.3029 13.3029 13.6334 13.6334 k = 0.0417 0.0122 0.0074 ( 3141 PWs) bands (ev): -6.0764 -6.0764 -6.0529 -6.0529 -5.3089 -5.3089 -5.2330 -5.2330 -5.1893 -5.1893 -5.1215 -5.1215 -3.9416 -3.9416 1.8223 1.8223 3.1326 3.1326 3.2759 3.2759 4.3265 4.3265 4.4754 4.4754 4.8622 4.8622 7.0408 7.0408 7.6036 7.6036 7.8617 7.8617 8.1156 8.1156 9.0412 9.0412 9.1760 9.1760 11.8171 11.8171 13.2895 13.2895 13.6195 13.6195 k = 0.0208 0.0061 0.0037 ( 3147 PWs) bands (ev): -6.0764 -6.0764 -6.0530 -6.0530 -5.3104 -5.3104 -5.2330 -5.2330 -5.1894 -5.1894 -5.1218 -5.1218 -3.9381 -3.9381 1.8127 1.8127 3.1327 3.1327 3.2760 3.2760 4.3273 4.3273 4.4754 4.4754 4.8685 4.8685 7.0796 7.0796 7.6198 7.6198 7.8609 7.8609 8.0519 8.0519 9.0432 9.0432 9.1779 9.1779 11.8161 11.8161 13.2815 13.2815 13.6112 13.6112 k = 0.0000 0.0000 0.0000 ( 3135 PWs) bands (ev): -6.0763 -6.0763 -6.0529 -6.0529 -5.3108 -5.3108 -5.2330 -5.2330 -5.1893 -5.1893 -5.1218 -5.1218 -3.9370 -3.9370 1.8095 1.8095 3.1327 3.1327 3.2760 3.2760 4.3276 4.3276 4.4755 4.4755 4.8706 4.8706 7.0931 7.0931 7.6272 7.6272 7.8606 7.8606 8.0281 8.0281 9.0438 9.0438 9.1785 9.1785 11.8157 11.8157 13.2788 13.2788 13.6084 13.6084 k = 0.0000 0.0000 0.0000 ( 3135 PWs) bands (ev): -6.0763 -6.0763 -6.0529 -6.0529 -5.3108 -5.3108 -5.2330 -5.2330 -5.1893 -5.1893 -5.1218 -5.1218 -3.9370 -3.9370 1.8095 1.8095 3.1327 3.1327 3.2760 3.2760 4.3276 4.3276 4.4755 4.4755 4.8706 4.8706 7.0931 7.0931 7.6272 7.6272 7.8606 7.8606 8.0281 8.0281 9.0438 9.0438 9.1785 9.1785 11.8157 11.8157 13.2788 13.2788 13.6084 13.6084 k = 0.0062-0.0098-0.0190 ( 3147 PWs) bands (ev): -6.0764 -6.0764 -6.0530 -6.0530 -5.3103 -5.3103 -5.2330 -5.2330 -5.1895 -5.1895 -5.1215 -5.1215 -3.9365 -3.9365 1.8109 1.8109 3.1328 3.1328 3.2760 3.2760 4.3272 4.3272 4.4750 4.4750 4.8706 4.8706 7.0931 7.0931 7.6103 7.6103 7.8261 7.8261 8.0785 8.0785 9.0384 9.0384 9.1724 9.1724 11.8239 11.8239 13.2759 13.2759 13.6039 13.6039 k = 0.0125-0.0195-0.0380 ( 3145 PWs) bands (ev): -6.0764 -6.0764 -6.0531 -6.0531 -5.3088 -5.3088 -5.2329 -5.2329 -5.1898 -5.1898 -5.1205 -5.1205 -3.9352 -3.9352 1.8152 1.8152 3.1330 3.1330 3.2762 3.2762 4.3263 4.3263 4.4735 4.4735 4.8706 4.8706 7.0926 7.0926 7.5574 7.5574 7.7815 7.7815 8.1733 8.1733 9.0214 9.0214 9.1554 9.1554 11.8480 11.8480 13.2657 13.2657 13.5929 13.5929 k = 0.0187-0.0293-0.0570 ( 3140 PWs) bands (ev): -6.0764 -6.0764 -6.0531 -6.0531 -5.3062 -5.3062 -5.2328 -5.2328 -5.1904 -5.1904 -5.1187 -5.1187 -3.9330 -3.9330 1.8222 1.8222 3.1333 3.1333 3.2764 3.2764 4.3248 4.3248 4.4712 4.4712 4.8706 4.8706 7.0893 7.0893 7.4774 7.4774 7.7555 7.7555 8.2763 8.2763 8.9911 8.9911 9.1315 9.1315 11.8865 11.8865 13.2445 13.2445 13.5825 13.5825 k = 0.0250-0.0391-0.0760 ( 3142 PWs) bands (ev): -6.0764 -6.0764 -6.0533 -6.0533 -5.3028 -5.3028 -5.2327 -5.2327 -5.1912 -5.1912 -5.1162 -5.1162 -3.9299 -3.9299 1.8320 1.8320 3.1337 3.1337 3.2768 3.2768 4.3226 4.3226 4.4679 4.4679 4.8706 4.8706 7.0775 7.0775 7.3912 7.3912 7.7408 7.7408 8.3773 8.3773 8.9458 8.9458 9.1063 9.1063 11.9371 11.9371 13.2088 13.2088 13.5806 13.5806 k = 0.0312-0.0489-0.0950 ( 3152 PWs) bands (ev): -6.0765 -6.0765 -6.0535 -6.0535 -5.2987 -5.2987 -5.2326 -5.2326 -5.1923 -5.1923 -5.1128 -5.1128 -3.9260 -3.9260 1.8446 1.8446 3.1340 3.1340 3.2775 3.2775 4.3197 4.3197 4.4636 4.4636 4.8706 4.8706 7.0462 7.0462 7.3190 7.3190 7.7308 7.7308 8.4697 8.4697 8.8861 8.8861 9.0853 9.0853 11.9973 11.9973 13.1582 13.1582 13.5917 13.5917 k = 0.0374-0.0586-0.1140 ( 3152 PWs) bands (ev): -6.0765 -6.0765 -6.0537 -6.0537 -5.2939 -5.2939 -5.2323 -5.2323 -5.1934 -5.1934 -5.1084 -5.1084 -3.9213 -3.9213 1.8600 1.8600 3.1344 3.1344 3.2787 3.2787 4.3163 4.3163 4.4583 4.4583 4.8707 4.8707 6.9839 6.9839 7.2758 7.2758 7.7230 7.7230 8.5450 8.5450 8.8157 8.8157 9.0748 9.0748 12.0644 12.0644 13.0958 13.0958 13.6160 13.6160 k = 0.0437-0.0684-0.1330 ( 3154 PWs) bands (ev): -6.0766 -6.0766 -6.0540 -6.0540 -5.2886 -5.2886 -5.2320 -5.2320 -5.1947 -5.1947 -5.1028 -5.1028 -3.9158 -3.9158 1.8781 1.8781 3.1347 3.1347 3.2803 3.2803 4.3121 4.3121 4.4520 4.4520 4.8708 4.8708 6.8946 6.8946 7.2588 7.2588 7.7164 7.7164 8.5887 8.5887 8.7419 8.7419 9.0834 9.0834 12.1356 12.1356 13.0261 13.0261 13.6515 13.6515 k = 0.0499-0.0782-0.1520 ( 3162 PWs) bands (ev): -6.0767 -6.0767 -6.0543 -6.0543 -5.2832 -5.2832 -5.2317 -5.2317 -5.1962 -5.1962 -5.0958 -5.0958 -3.9097 -3.9097 1.8990 1.8990 3.1349 3.1349 3.2825 3.2825 4.3073 4.3073 4.4447 4.4447 4.8709 4.8709 6.7909 6.7909 7.2554 7.2554 7.7113 7.7113 8.5785 8.5785 8.6815 8.6815 9.1187 9.1187 12.2085 12.2085 12.9530 12.9530 13.6958 13.6958 k = 0.0561-0.0879-0.1710 ( 3166 PWs) bands (ev): -6.0768 -6.0768 -6.0546 -6.0546 -5.2779 -5.2779 -5.2313 -5.2313 -5.1976 -5.1976 -5.0873 -5.0873 -3.9029 -3.9029 1.9226 1.9226 3.1350 3.1350 3.2853 3.2853 4.3017 4.3017 4.4363 4.4363 4.8711 4.8711 6.6811 6.6811 7.2562 7.2562 7.7080 7.7080 8.5126 8.5126 8.6398 8.6398 9.1792 9.1792 12.2807 12.2807 12.8798 12.8798 13.7464 13.7464 k = 0.0624-0.0977-0.1900 ( 3172 PWs) bands (ev): -6.0770 -6.0770 -6.0550 -6.0550 -5.2729 -5.2729 -5.2308 -5.2308 -5.1991 -5.1991 -5.0772 -5.0772 -3.8955 -3.8955 1.9489 1.9489 3.1351 3.1351 3.2889 3.2889 4.2955 4.2955 4.4268 4.4268 4.8713 4.8713 6.5695 6.5695 7.2557 7.2557 7.7071 7.7071 8.4270 8.4270 8.5917 8.5917 9.2565 9.2565 12.3498 12.3498 12.8095 12.8095 13.8008 13.8008 k = 0.0686-0.1075-0.2090 ( 3174 PWs) bands (ev): -6.0772 -6.0772 -6.0553 -6.0553 -5.2684 -5.2684 -5.2301 -5.2301 -5.2004 -5.2004 -5.0651 -5.0651 -3.8876 -3.8876 1.9777 1.9777 3.1351 3.1351 3.2932 3.2932 4.2886 4.2886 4.4161 4.4161 4.8717 4.8717 6.4581 6.4581 7.2502 7.2502 7.7087 7.7087 8.3390 8.3390 8.5308 8.5308 9.3423 9.3423 12.4122 12.4122 12.7459 12.7459 13.8560 13.8560 k = 0.0749-0.1172-0.2280 ( 3170 PWs) bands (ev): -6.0774 -6.0774 -6.0557 -6.0557 -5.2648 -5.2648 -5.2292 -5.2292 -5.2015 -5.2015 -5.0511 -5.0511 -3.8792 -3.8792 2.0092 2.0092 3.1351 3.1351 3.2983 3.2983 4.2810 4.2810 4.4043 4.4043 4.8721 4.8721 6.3484 6.3484 7.2367 7.2367 7.7120 7.7120 8.2552 8.2552 8.4589 8.4589 9.4318 9.4318 12.4602 12.4602 12.6969 12.6969 13.9089 13.9089 k = 0.0811-0.1270-0.2470 ( 3176 PWs) bands (ev): -6.0777 -6.0777 -6.0561 -6.0561 -5.2621 -5.2621 -5.2282 -5.2282 -5.2025 -5.2025 -5.0350 -5.0350 -3.8704 -3.8704 2.0432 2.0432 3.1353 3.1353 3.3040 3.3040 4.2727 4.2727 4.3913 4.3913 4.8725 4.8725 6.2411 6.2411 7.2134 7.2134 7.7144 7.7144 8.1811 8.1811 8.3783 8.3783 9.5218 9.5218 12.4774 12.4774 12.6790 12.6790 13.9562 13.9562 k = 0.0873-0.1368-0.2660 ( 3180 PWs) bands (ev): -6.0781 -6.0781 -6.0565 -6.0565 -5.2604 -5.2604 -5.2271 -5.2271 -5.2031 -5.2031 -5.0168 -5.0168 -3.8614 -3.8614 2.0797 2.0797 3.1357 3.1357 3.3103 3.3103 4.2636 4.2636 4.3770 4.3770 4.8730 4.8730 6.1370 6.1370 7.1791 7.1791 7.7111 7.7111 8.1227 8.1227 8.2909 8.2909 9.6107 9.6107 12.4557 12.4557 12.7002 12.7002 13.9947 13.9947 k = 0.0936-0.1466-0.2850 ( 3176 PWs) bands (ev): -6.0784 -6.0784 -6.0568 -6.0568 -5.2596 -5.2596 -5.2260 -5.2260 -5.2034 -5.2034 -4.9966 -4.9966 -3.8520 -3.8520 2.1185 2.1185 3.1365 3.1365 3.3171 3.3171 4.2537 4.2537 4.3614 4.3614 4.8736 4.8736 6.0367 6.0367 7.1337 7.1337 7.6960 7.6960 8.0843 8.0843 8.2001 8.2001 9.6976 9.6976 12.4134 12.4134 12.7422 12.7422 14.0217 14.0217 k = 0.0998-0.1563-0.3040 ( 3178 PWs) bands (ev): -6.0789 -6.0789 -6.0572 -6.0572 -5.2596 -5.2596 -5.2250 -5.2250 -5.2034 -5.2034 -4.9744 -4.9744 -3.8425 -3.8425 2.1597 2.1597 3.1378 3.1378 3.3243 3.3243 4.2430 4.2430 4.3447 4.3447 4.8742 4.8742 5.9407 5.9407 7.0773 7.0773 7.6662 7.6662 8.0519 8.0519 8.1235 8.1235 9.7816 9.7816 12.3651 12.3651 12.7900 12.7900 14.0355 14.0355 k = 0.1060-0.1661-0.3230 ( 3178 PWs) bands (ev): -6.0794 -6.0794 -6.0576 -6.0576 -5.2603 -5.2603 -5.2241 -5.2241 -5.2031 -5.2031 -4.9503 -4.9503 -3.8329 -3.8329 2.2030 2.2030 3.1398 3.1398 3.3316 3.3316 4.2314 4.2314 4.3270 4.3270 4.8748 4.8748 5.8494 5.8494 7.0111 7.0111 7.6241 7.6241 7.9713 7.9713 8.1129 8.1129 9.8625 9.8625 12.3161 12.3161 12.8380 12.8380 14.0356 14.0356 k = 0.1123-0.1759-0.3420 ( 3176 PWs) bands (ev): -6.0800 -6.0800 -6.0579 -6.0579 -5.2615 -5.2615 -5.2234 -5.2234 -5.2025 -5.2025 -4.9244 -4.9244 -3.8232 -3.8232 2.2484 2.2484 3.1425 3.1425 3.3390 3.3390 4.2187 4.2187 4.3085 4.3085 4.8754 4.8754 5.7633 5.7633 6.9364 6.9364 7.5746 7.5746 7.8666 7.8666 8.1384 8.1384 9.9398 9.9398 12.2680 12.2680 12.8839 12.8839 14.0227 14.0227 k = 0.1185-0.1856-0.3609 ( 3180 PWs) bands (ev): -6.0807 -6.0807 -6.0583 -6.0583 -5.2631 -5.2631 -5.2230 -5.2230 -5.2017 -5.2017 -4.8969 -4.8969 -3.8136 -3.8136 2.2956 2.2956 3.1460 3.1460 3.3463 3.3463 4.2048 4.2048 4.2896 4.2896 4.8760 4.8760 5.6826 5.6826 6.8549 6.8549 7.5210 7.5210 7.7558 7.7558 8.1776 8.1776 10.0135 10.0135 12.2211 12.2211 12.9265 12.9265 13.9983 13.9983 k = 0.1248-0.1954-0.3799 ( 3180 PWs) bands (ev): -6.0814 -6.0814 -6.0586 -6.0586 -5.2650 -5.2650 -5.2227 -5.2227 -5.2008 -5.2008 -4.8678 -4.8678 -3.8042 -3.8042 2.3445 2.3445 3.1504 3.1504 3.3533 3.3533 4.1893 4.1893 4.2710 4.2710 4.8764 4.8764 5.6076 5.6076 6.7682 6.7682 7.4647 7.4647 7.6426 7.6426 8.2243 8.2243 10.0832 10.0832 12.1753 12.1753 12.9650 12.9650 13.9647 13.9647 k = 0.1310-0.2052-0.3989 ( 3180 PWs) bands (ev): -6.0821 -6.0821 -6.0589 -6.0589 -5.2671 -5.2671 -5.2225 -5.2225 -5.1997 -5.1997 -4.8373 -4.8373 -3.7949 -3.7949 2.3948 2.3948 3.1559 3.1559 3.3599 3.3599 4.1720 4.1720 4.2531 4.2531 4.8768 4.8768 5.5384 5.5384 6.6779 6.6779 7.4038 7.4038 7.5306 7.5306 8.2754 8.2754 10.1490 10.1490 12.1303 12.1303 12.9984 12.9984 13.9243 13.9243 k = 0.1372-0.2150-0.4179 ( 3178 PWs) bands (ev): -6.0829 -6.0829 -6.0592 -6.0592 -5.2693 -5.2693 -5.2225 -5.2225 -5.1986 -5.1986 -4.8056 -4.8056 -3.7858 -3.7858 2.4462 2.4462 3.1624 3.1624 3.3659 3.3659 4.1529 4.1529 4.2367 4.2367 4.8770 4.8770 5.4752 5.4752 6.5856 6.5856 7.3314 7.3314 7.4277 7.4277 8.3291 8.3291 10.2107 10.2107 12.0855 12.0855 13.0258 13.0258 13.8797 13.8797 k = 0.1435-0.2247-0.4369 ( 3178 PWs) bands (ev): -6.0837 -6.0837 -6.0595 -6.0595 -5.2716 -5.2716 -5.2226 -5.2226 -5.1975 -5.1975 -4.7726 -4.7726 -3.7771 -3.7771 2.4982 2.4982 3.1701 3.1701 3.3713 3.3713 4.1325 4.1325 4.2218 4.2218 4.8771 4.8771 5.4179 5.4179 6.4923 6.4923 7.2364 7.2364 7.3454 7.3454 8.3838 8.3838 10.2684 10.2684 12.0406 12.0406 13.0465 13.0465 13.8331 13.8331 k = 0.1497-0.2345-0.4559 ( 3176 PWs) bands (ev): -6.0845 -6.0845 -6.0598 -6.0598 -5.2739 -5.2739 -5.2227 -5.2227 -5.1964 -5.1964 -4.7386 -4.7386 -3.7688 -3.7688 2.5504 2.5504 3.1788 3.1788 3.3761 3.3761 4.1112 4.1112 4.2086 4.2086 4.8770 4.8770 5.3663 5.3663 6.3991 6.3991 7.1238 7.1238 7.2793 7.2793 8.4385 8.4385 10.3218 10.3218 11.9951 11.9951 13.0597 13.0597 13.7865 13.7865 k = 0.1559-0.2443-0.4749 ( 3182 PWs) bands (ev): -6.0854 -6.0854 -6.0601 -6.0601 -5.2762 -5.2762 -5.2231 -5.2231 -5.1953 -5.1953 -4.7037 -4.7037 -3.7609 -3.7609 2.6020 2.6020 3.1886 3.1886 3.3804 3.3804 4.0899 4.0899 4.1971 4.1971 4.8767 4.8767 5.3201 5.3201 6.3066 6.3066 7.0043 7.0043 7.2187 7.2187 8.4921 8.4921 10.3711 10.3711 11.9485 11.9485 13.0650 13.0650 13.7415 13.7415 k = 0.1622-0.2540-0.4939 ( 3180 PWs) bands (ev): -6.0863 -6.0863 -6.0604 -6.0604 -5.2784 -5.2784 -5.2235 -5.2235 -5.1942 -5.1942 -4.6680 -4.6680 -3.7535 -3.7535 2.6523 2.6523 3.1996 3.1996 3.3848 3.3848 4.0695 4.0695 4.1871 4.1871 4.8763 4.8763 5.2792 5.2792 6.2158 6.2158 6.8825 6.8825 7.1597 7.1597 8.5437 8.5437 10.4160 10.4160 11.9008 11.9008 13.0624 13.0624 13.6988 13.6988 k = 0.1684-0.2638-0.5129 ( 3184 PWs) bands (ev): -6.0871 -6.0871 -6.0608 -6.0608 -5.2806 -5.2806 -5.2240 -5.2240 -5.1932 -5.1932 -4.6316 -4.6316 -3.7466 -3.7466 2.7001 2.7001 3.2116 3.2116 3.3899 3.3899 4.0508 4.0508 4.1785 4.1785 4.8758 4.8758 5.2429 5.2429 6.1270 6.1270 6.7602 6.7602 7.1007 7.1007 8.5924 8.5924 10.4566 10.4566 11.8516 11.8516 13.0528 13.0528 13.6588 13.6588 k = 0.1747-0.2736-0.5319 ( 3192 PWs) bands (ev): -6.0880 -6.0880 -6.0611 -6.0611 -5.2827 -5.2827 -5.2246 -5.2246 -5.1922 -5.1922 -4.5947 -4.5947 -3.7404 -3.7404 2.7440 2.7440 3.2247 3.2247 3.3967 3.3967 4.0343 4.0343 4.1712 4.1712 4.8752 4.8752 5.2111 5.2111 6.0407 6.0407 6.6385 6.6385 7.0413 7.0413 8.6374 8.6374 10.4926 10.4926 11.8013 11.8013 13.0375 13.0375 13.6209 13.6209 k = 0.1809-0.2833-0.5509 ( 3188 PWs) bands (ev): -6.0888 -6.0888 -6.0615 -6.0615 -5.2847 -5.2847 -5.2252 -5.2252 -5.1911 -5.1911 -4.5573 -4.5573 -3.7348 -3.7348 2.7827 2.7827 3.2387 3.2387 3.4065 3.4065 4.0204 4.0204 4.1654 4.1654 4.8749 4.8749 5.1831 5.1831 5.9575 5.9575 6.5181 6.5181 6.9812 6.9812 8.6779 8.6779 10.5238 10.5238 11.7499 11.7499 13.0186 13.0186 13.5843 13.5843 k = 0.1871-0.2931-0.5699 ( 3182 PWs) bands (ev): -6.0895 -6.0895 -6.0618 -6.0618 -5.2864 -5.2864 -5.2260 -5.2260 -5.1901 -5.1901 -4.5196 -4.5196 -3.7299 -3.7299 2.8147 2.8147 3.2536 3.2536 3.4209 3.4209 4.0093 4.0093 4.1610 4.1610 4.8749 4.8749 5.1585 5.1585 5.8777 5.8777 6.3996 6.3996 6.9202 6.9202 8.7129 8.7129 10.5499 10.5499 11.6981 11.6981 12.9984 12.9984 13.5479 13.5479 k = 0.1934-0.3029-0.5889 ( 3180 PWs) bands (ev): -6.0901 -6.0901 -6.0622 -6.0622 -5.2881 -5.2881 -5.2269 -5.2269 -5.1892 -5.1892 -4.4818 -4.4818 -3.7257 -3.7257 2.8389 2.8389 3.2688 3.2688 3.4411 3.4411 4.0009 4.0009 4.1578 4.1578 4.8755 4.8755 5.1369 5.1369 5.8015 5.8015 6.2837 6.2837 6.8585 6.8585 8.7419 8.7419 10.5705 10.5705 11.6465 11.6465 12.9790 12.9790 13.5107 13.5107 k = 0.1996-0.3127-0.6079 ( 3180 PWs) bands (ev): -6.0908 -6.0908 -6.0626 -6.0626 -5.2896 -5.2896 -5.2279 -5.2279 -5.1883 -5.1883 -4.4440 -4.4440 -3.7223 -3.7223 2.8549 2.8549 3.2839 3.2839 3.4679 3.4679 3.9953 3.9953 4.1558 4.1558 4.8769 4.8769 5.1178 5.1178 5.7295 5.7295 6.1711 6.1711 6.7961 6.7961 8.7642 8.7642 10.5850 10.5850 11.5961 11.5961 12.9624 12.9624 13.4718 13.4718 k = 0.2059-0.3224-0.6269 ( 3180 PWs) bands (ev): -6.0913 -6.0913 -6.0631 -6.0631 -5.2909 -5.2909 -5.2290 -5.2290 -5.1874 -5.1874 -4.4062 -4.4062 -3.7196 -3.7196 2.8632 2.8632 3.2984 3.2984 3.5013 3.5013 3.9921 3.9921 4.1548 4.1548 4.8793 4.8793 5.1011 5.1011 5.6618 5.6618 6.0626 6.0626 6.7330 6.7330 8.7791 8.7791 10.5929 10.5929 11.5478 11.5478 12.9503 12.9503 13.4310 13.4310 k = 0.2121-0.3322-0.6459 ( 3180 PWs) bands (ev): -6.0918 -6.0918 -6.0636 -6.0636 -5.2921 -5.2921 -5.2302 -5.2302 -5.1866 -5.1866 -4.3687 -4.3687 -3.7178 -3.7178 2.8649 2.8649 3.3120 3.3120 3.5401 3.5401 3.9913 3.9913 4.1543 4.1543 4.8828 4.8828 5.0864 5.0864 5.5988 5.5988 5.9590 5.9590 6.6693 6.6693 8.7862 8.7862 10.5934 10.5934 11.5029 11.5029 12.9439 12.9439 13.3880 13.3880 k = 0.2183-0.3420-0.6649 ( 3178 PWs) bands (ev): -6.0922 -6.0922 -6.0641 -6.0641 -5.2931 -5.2931 -5.2315 -5.2315 -5.1858 -5.1858 -4.3316 -4.3316 -3.7168 -3.7168 2.8616 2.8616 3.3245 3.3245 3.5830 3.5830 3.9926 3.9926 4.1540 4.1540 4.8871 4.8871 5.0740 5.0740 5.5408 5.5408 5.8614 5.8614 6.6052 6.6052 8.7852 8.7852 10.5859 10.5859 11.4626 11.4626 12.9439 12.9439 13.3430 13.3430 k = 0.2246-0.3517-0.6839 ( 3180 PWs) bands (ev): -6.0925 -6.0925 -6.0647 -6.0647 -5.2939 -5.2939 -5.2329 -5.2329 -5.1851 -5.1851 -4.2950 -4.2950 -3.7167 -3.7167 2.8548 2.8548 3.3356 3.3356 3.6279 3.6279 3.9959 3.9959 4.1531 4.1531 4.8914 4.8914 5.0648 5.0648 5.4883 5.4883 5.7708 5.7708 6.5408 6.5408 8.7760 8.7760 10.5699 10.5699 11.4277 11.4277 12.9504 12.9504 13.2967 13.2967 k = 0.2308-0.3615-0.7029 ( 3178 PWs) bands (ev): -6.0926 -6.0926 -6.0653 -6.0653 -5.2945 -5.2945 -5.2344 -5.2344 -5.1845 -5.1845 -4.2590 -4.2590 -3.7174 -3.7174 2.8460 2.8460 3.3453 3.3453 3.6732 3.6732 4.0009 4.0009 4.1511 4.1511 4.8936 4.8936 5.0604 5.0604 5.4417 5.4417 5.6887 5.6887 6.4762 6.4762 8.7586 8.7586 10.5453 10.5453 11.3990 11.3990 12.9622 12.9622 13.2506 13.2506 k = 0.2370-0.3713-0.7219 ( 3180 PWs) bands (ev): -6.0927 -6.0927 -6.0659 -6.0659 -5.2950 -5.2950 -5.2360 -5.2360 -5.1839 -5.1839 -4.2237 -4.2237 -3.7189 -3.7189 2.8365 2.8365 3.3534 3.3534 3.7170 3.7170 4.0075 4.0075 4.1473 4.1473 4.8907 4.8907 5.0633 5.0633 5.4017 5.4017 5.6165 5.6165 6.4116 6.4116 8.7332 8.7332 10.5121 10.5121 11.3767 11.3767 12.9758 12.9758 13.2087 13.2087 k = 0.2433-0.3811-0.7409 ( 3186 PWs) bands (ev): -6.0928 -6.0928 -6.0666 -6.0666 -5.2953 -5.2953 -5.2376 -5.2376 -5.1833 -5.1833 -4.1894 -4.1894 -3.7213 -3.7213 2.8273 2.8273 3.3598 3.3598 3.7579 3.7579 4.0154 4.0154 4.1411 4.1411 4.8799 4.8799 5.0755 5.0755 5.3691 5.3691 5.5556 5.5556 6.3473 6.3473 8.7000 8.7000 10.4710 10.4710 11.3607 11.3607 12.9823 12.9823 13.1798 13.1798 k = 0.2495-0.3908-0.7599 ( 3184 PWs) bands (ev): -6.0926 -6.0926 -6.0674 -6.0674 -5.2954 -5.2954 -5.2394 -5.2394 -5.1828 -5.1828 -4.1560 -4.1560 -3.7246 -3.7246 2.8191 2.8191 3.3646 3.3646 3.7945 3.7945 4.0239 4.0239 4.1326 4.1326 4.8608 4.8608 5.0963 5.0963 5.3449 5.3449 5.5076 5.5076 6.2833 6.2833 8.6597 8.6597 10.4230 10.4230 11.3504 11.3504 12.9681 12.9681 13.1777 13.1777 k = 0.2558-0.4006-0.7789 ( 3184 PWs) bands (ev): -6.0924 -6.0924 -6.0681 -6.0681 -5.2953 -5.2953 -5.2412 -5.2412 -5.1824 -5.1824 -4.1237 -4.1237 -3.7287 -3.7287 2.8127 2.8127 3.3678 3.3678 3.8256 3.8256 4.0313 4.0313 4.1231 4.1231 4.8347 4.8347 5.1220 5.1220 5.3301 5.3301 5.4748 5.4748 6.2201 6.2201 8.6125 8.6125 10.3690 10.3690 11.3451 11.3451 12.9299 12.9299 13.2051 13.2051 k = 0.2620-0.4104-0.7979 ( 3184 PWs) bands (ev): -6.0921 -6.0921 -6.0690 -6.0690 -5.2950 -5.2950 -5.2431 -5.2431 -5.1820 -5.1820 -4.0926 -4.0926 -3.7337 -3.7337 2.8084 2.8084 3.3694 3.3694 3.8504 3.8504 4.0335 4.0335 4.1163 4.1163 4.8041 4.8041 5.1466 5.1466 5.3256 5.3256 5.4603 5.4603 6.1579 6.1579 8.5594 8.5594 10.3101 10.3101 11.3440 11.3440 12.8771 12.8771 13.2524 13.2524 k = 0.2682-0.4201-0.8169 ( 3180 PWs) bands (ev): -6.0916 -6.0916 -6.0698 -6.0698 -5.2946 -5.2946 -5.2450 -5.2450 -5.1816 -5.1816 -4.0628 -4.0628 -3.7395 -3.7395 2.8066 2.8066 3.3696 3.3696 3.8681 3.8681 4.0255 4.0255 4.1173 4.1173 4.7714 4.7714 5.1634 5.1634 5.3313 5.3313 5.4682 5.4682 6.0972 6.0972 8.5008 8.5008 10.2473 10.2473 11.3464 11.3464 12.8167 12.8167 13.3123 13.3123 k = 0.2745-0.4299-0.8359 ( 3184 PWs) bands (ev): -6.0911 -6.0911 -6.0707 -6.0707 -5.2940 -5.2940 -5.2470 -5.2470 -5.1814 -5.1814 -4.0343 -4.0343 -3.7461 -3.7461 2.8073 2.8073 3.3685 3.3685 3.8778 3.8778 4.0077 4.0077 4.1263 4.1263 4.7388 4.7388 5.1695 5.1695 5.3452 5.3452 5.5007 5.5007 6.0387 6.0387 8.4375 8.4375 10.1815 10.1815 11.3517 11.3517 12.7520 12.7520 13.3807 13.3807 k = 0.2807-0.4397-0.8549 ( 3186 PWs) bands (ev): -6.0904 -6.0904 -6.0717 -6.0717 -5.2933 -5.2933 -5.2490 -5.2490 -5.1811 -5.1811 -4.0074 -4.0074 -3.7534 -3.7534 2.8106 2.8106 3.3663 3.3663 3.8777 3.8777 3.9863 3.9863 4.1395 4.1395 4.7080 4.7080 5.1668 5.1668 5.3650 5.3650 5.5546 5.5546 5.9834 5.9834 8.3702 8.3702 10.1133 10.1133 11.3594 11.3594 12.6847 12.6847 13.4556 13.4556 k = 0.2869-0.4494-0.8739 ( 3190 PWs) bands (ev): -6.0897 -6.0897 -6.0727 -6.0727 -5.2925 -5.2925 -5.2510 -5.2510 -5.1810 -5.1810 -3.9819 -3.9819 -3.7615 -3.7615 2.8163 2.8163 3.3632 3.3632 3.8648 3.8648 3.9685 3.9685 4.1539 4.1539 4.6802 4.6802 5.1589 5.1589 5.3893 5.3893 5.6235 5.6235 5.9333 5.9333 8.2996 8.2996 10.0434 10.0434 11.3691 11.3691 12.6155 12.6155 13.5354 13.5354 k = 0.2932-0.4592-0.8929 ( 3188 PWs) bands (ev): -6.0889 -6.0889 -6.0738 -6.0738 -5.2915 -5.2915 -5.2530 -5.2530 -5.1808 -5.1808 -3.9579 -3.9579 -3.7703 -3.7703 2.8241 2.8241 3.3595 3.3595 3.8389 3.8389 3.9573 3.9573 4.1677 4.1677 4.6560 4.6560 5.1486 5.1486 5.4161 5.4161 5.6999 5.6999 5.8934 5.8934 8.2263 8.2263 9.9721 9.9721 11.3804 11.3804 12.5451 12.5451 13.6187 13.6187 k = 0.2994-0.4690-0.9119 ( 3188 PWs) bands (ev): -6.0879 -6.0879 -6.0749 -6.0749 -5.2905 -5.2905 -5.2550 -5.2550 -5.1807 -5.1807 -3.9355 -3.9355 -3.7798 -3.7798 2.8333 2.8333 3.3552 3.3552 3.8049 3.8049 3.9508 3.9508 4.1800 4.1800 4.6354 4.6354 5.1372 5.1372 5.4416 5.4416 5.7666 5.7666 5.8813 5.8813 8.1512 8.1512 9.8998 9.8998 11.3933 11.3933 12.4740 12.4740 13.7044 13.7044 k = 0.3057-0.4788-0.9309 ( 3184 PWs) bands (ev): -6.0869 -6.0869 -6.0760 -6.0760 -5.2894 -5.2894 -5.2568 -5.2568 -5.1806 -5.1806 -3.9147 -3.9147 -3.7899 -3.7899 2.8433 2.8433 3.3508 3.3508 3.7682 3.7682 3.9460 3.9460 4.1903 4.1903 4.6187 4.6187 5.1255 5.1255 5.4596 5.4596 5.7903 5.7903 5.9343 5.9343 8.0747 8.0747 9.8268 9.8268 11.4076 11.4076 12.4024 12.4024 13.7913 13.7913 k = 0.3119-0.4885-0.9499 ( 3184 PWs) bands (ev): -6.0858 -6.0858 -6.0772 -6.0772 -5.2883 -5.2883 -5.2585 -5.2585 -5.1805 -5.1805 -3.8955 -3.8955 -3.8006 -3.8006 2.8527 2.8527 3.3462 3.3462 3.7328 3.7328 3.9416 3.9416 4.1984 4.1984 4.6055 4.6055 5.1139 5.1139 5.4630 5.4630 5.8018 5.8018 6.0266 6.0266 7.9976 7.9976 9.7531 9.7531 11.4231 11.4231 12.3306 12.3306 13.8781 13.8781 k = 0.3181-0.4983-0.9689 ( 3188 PWs) bands (ev): -6.0846 -6.0846 -6.0785 -6.0785 -5.2874 -5.2874 -5.2598 -5.2598 -5.1805 -5.1805 -3.8779 -3.8779 -3.8119 -3.8119 2.8604 2.8604 3.3417 3.3417 3.7017 3.7017 3.9371 3.9371 4.2041 4.2041 4.5956 4.5956 5.1025 5.1025 5.4488 5.4488 5.8303 5.8303 6.1303 6.1303 7.9206 7.9206 9.6790 9.6790 11.4399 11.4399 12.2590 12.2590 13.9635 13.9635 k = 0.3244-0.5081-0.9879 ( 3186 PWs) bands (ev): -6.0834 -6.0834 -6.0797 -6.0797 -5.2867 -5.2867 -5.2609 -5.2609 -5.1805 -5.1805 -3.8618 -3.8618 -3.8236 -3.8236 2.8646 2.8646 3.3376 3.3376 3.6776 3.6776 3.9322 3.9322 4.2075 4.2075 4.5888 4.5888 5.0914 5.0914 5.4206 5.4206 5.8767 5.8767 6.2392 6.2392 7.8445 7.8445 9.6044 9.6044 11.4580 11.4580 12.1878 12.1878 14.0460 14.0460 k = 0.3306-0.5178-1.0069 ( 3182 PWs) bands (ev): -6.0822 -6.0822 -6.0810 -6.0810 -5.2864 -5.2864 -5.2613 -5.2613 -5.1804 -5.1804 -3.8473 -3.8473 -3.8358 -3.8358 2.8638 2.8638 3.3338 3.3338 3.6629 3.6629 3.9272 3.9272 4.2086 4.2086 4.5848 4.5848 5.0806 5.0806 5.3841 5.3841 5.9361 5.9361 6.3514 6.3514 7.7700 7.7700 9.5295 9.5295 11.4772 11.4772 12.1174 12.1174 14.1242 14.1242 k = 0.3368-0.5276-1.0259 ( 3180 PWs) bands (ev): -6.0825 -6.0825 -6.0807 -6.0807 -5.2865 -5.2865 -5.2612 -5.2612 -5.1804 -5.1804 -3.8486 -3.8486 -3.8341 -3.8341 2.8567 2.8567 3.3307 3.3307 3.6593 3.6593 3.9220 3.9220 4.2077 4.2077 4.5832 4.5832 5.0702 5.0702 5.3432 5.3432 6.0038 6.0038 6.4655 6.4655 7.6982 7.6982 9.4542 9.4542 11.4975 11.4975 12.0479 12.0479 14.1961 14.1961 k = 0.3431-0.5374-1.0449 ( 3184 PWs) bands (ev): -6.0839 -6.0839 -6.0794 -6.0794 -5.2872 -5.2872 -5.2605 -5.2605 -5.1804 -5.1804 -3.8615 -3.8615 -3.8225 -3.8225 2.8426 2.8426 3.3282 3.3282 3.6676 3.6676 3.9168 3.9168 4.2049 4.2049 4.5837 4.5837 5.0599 5.0599 5.3006 5.3006 6.0765 6.0765 6.5808 6.5808 7.6302 7.6302 9.3786 9.3786 11.5188 11.5188 11.9801 11.9801 14.2599 14.2599 k = 0.6569-0.3914-0.9558 ( 3184 PWs) bands (ev): -6.0839 -6.0839 -6.0794 -6.0794 -5.2872 -5.2872 -5.2605 -5.2605 -5.1804 -5.1804 -3.8615 -3.8615 -3.8225 -3.8225 2.8426 2.8426 3.3282 3.3282 3.6676 3.6676 3.9168 3.9168 4.2049 4.2049 4.5837 4.5837 5.0599 5.0599 5.3006 5.3006 6.0765 6.0765 6.5808 6.5808 7.6302 7.6302 9.3786 9.3786 11.5188 11.5188 11.9801 11.9801 14.2599 14.2599 k = 0.6509-0.3707-0.9558 ( 3186 PWs) bands (ev): -6.0852 -6.0852 -6.0781 -6.0781 -5.2882 -5.2882 -5.2593 -5.2593 -5.1804 -5.1804 -3.8743 -3.8743 -3.8126 -3.8126 2.8224 2.8224 3.3267 3.3267 3.6869 3.6869 3.9120 3.9120 4.2008 4.2008 4.5859 4.5859 5.0502 5.0502 5.2593 5.2593 6.1489 6.1489 6.6926 6.6926 7.5695 7.5695 9.3052 9.3052 11.5397 11.5397 11.9166 11.9166 14.3120 14.3120 k = 0.6448-0.3500-0.9558 ( 3186 PWs) bands (ev): -6.0866 -6.0866 -6.0767 -6.0767 -5.2896 -5.2896 -5.2576 -5.2576 -5.1804 -5.1804 -3.8873 -3.8873 -3.8038 -3.8038 2.7966 2.7966 3.3260 3.3260 3.7164 3.7164 3.9077 3.9077 4.1954 4.1954 4.5897 4.5897 5.0404 5.0404 5.2189 5.2189 6.2207 6.2207 6.8041 6.8041 7.5156 7.5156 9.2315 9.2315 11.5597 11.5597 11.8568 11.8568 14.3526 14.3526 k = 0.6388-0.3294-0.9558 ( 3180 PWs) bands (ev): -6.0880 -6.0880 -6.0753 -6.0753 -5.2912 -5.2912 -5.2554 -5.2554 -5.1803 -5.1803 -3.9005 -3.9005 -3.7962 -3.7962 2.7661 2.7661 3.3261 3.3261 3.7542 3.7542 3.9044 3.9044 4.1891 4.1891 4.5950 4.5950 5.0303 5.0303 5.1804 5.1804 6.2891 6.2891 6.9144 6.9144 7.4707 7.4707 9.1578 9.1578 11.5757 11.5757 11.8040 11.8040 14.3797 14.3797 k = 0.6328-0.3087-0.9558 ( 3180 PWs) bands (ev): -6.0894 -6.0894 -6.0740 -6.0740 -5.2930 -5.2930 -5.2530 -5.2530 -5.1802 -5.1802 -3.9138 -3.9138 -3.7897 -3.7897 2.7322 2.7322 3.3272 3.3272 3.7974 3.7974 3.9036 3.9036 4.1822 4.1822 4.6016 4.6016 5.0193 5.0193 5.1448 5.1448 6.3510 6.3510 7.0228 7.0228 7.4380 7.4380 9.0841 9.0841 11.5803 11.5803 11.7659 11.7659 14.3918 14.3918 k = 0.6267-0.2880-0.9558 ( 3190 PWs) bands (ev): -6.0908 -6.0908 -6.0727 -6.0727 -5.2950 -5.2950 -5.2505 -5.2505 -5.1800 -5.1800 -3.9271 -3.9271 -3.7842 -3.7842 2.6959 2.6959 3.3292 3.3292 3.8384 3.8384 3.9111 3.9111 4.1753 4.1753 4.6097 4.6097 5.0064 5.0064 5.1133 5.1133 6.4027 6.4027 7.1282 7.1282 7.4207 7.4207 9.0108 9.0108 11.5629 11.5629 11.7531 11.7531 14.3873 14.3873 k = 0.6207-0.2674-0.9558 ( 3182 PWs) bands (ev): -6.0922 -6.0922 -6.0713 -6.0713 -5.2969 -5.2969 -5.2477 -5.2477 -5.1798 -5.1798 -3.9404 -3.9404 -3.7796 -3.7796 2.6583 2.6583 3.3322 3.3322 3.8610 3.8610 3.9410 3.9410 4.1690 4.1690 4.6194 4.6194 4.9904 4.9904 5.0876 5.0876 6.4407 6.4407 7.2296 7.2296 7.4225 7.4225 8.9383 8.9383 11.5239 11.5239 11.7657 11.7657 14.3657 14.3657 k = 0.6147-0.2467-0.9558 ( 3184 PWs) bands (ev): -6.0936 -6.0936 -6.0700 -6.0700 -5.2989 -5.2989 -5.2449 -5.2449 -5.1796 -5.1796 -3.9536 -3.9536 -3.7758 -3.7758 2.6201 2.6201 3.3362 3.3362 3.8657 3.8657 3.9894 3.9894 4.1652 4.1652 4.6312 4.6312 4.9706 4.9706 5.0688 5.0688 6.4625 6.4625 7.3253 7.3253 7.4456 7.4456 8.8673 8.8673 11.4732 11.4732 11.7937 11.7937 14.3270 14.3270 k = 0.6086-0.2260-0.9558 ( 3184 PWs) bands (ev): -6.0950 -6.0950 -6.0688 -6.0688 -5.3009 -5.3009 -5.2420 -5.2420 -5.1793 -5.1793 -3.9666 -3.9666 -3.7728 -3.7728 2.5819 2.5819 3.3410 3.3410 3.8648 3.8648 4.0382 4.0382 4.1681 4.1681 4.6458 4.6458 4.9477 4.9477 5.0565 5.0565 6.4681 6.4681 7.4134 7.4134 7.4905 7.4905 8.7989 8.7989 11.4175 11.4175 11.8306 11.8306 14.2720 14.2720 k = 0.6026-0.2054-0.9558 ( 3188 PWs) bands (ev): -6.0963 -6.0963 -6.0675 -6.0675 -5.3029 -5.3029 -5.2391 -5.2391 -5.1790 -5.1790 -3.9795 -3.9795 -3.7704 -3.7704 2.5443 2.5443 3.3468 3.3468 3.8621 3.8621 4.0718 4.0718 4.1872 4.1872 4.6638 4.6638 4.9236 4.9236 5.0496 5.0496 6.4592 6.4592 7.4927 7.4927 7.5545 7.5545 8.7346 8.7346 11.3598 11.3598 11.8735 11.8735 14.2023 14.2023 k = 0.5966-0.1847-0.9558 ( 3186 PWs) bands (ev): -6.0977 -6.0977 -6.0663 -6.0663 -5.3048 -5.3048 -5.2362 -5.2362 -5.1785 -5.1785 -3.9921 -3.9921 -3.7686 -3.7686 2.5077 2.5077 3.3534 3.3534 3.8588 3.8588 4.0835 4.0835 4.2260 4.2260 4.6861 4.6861 4.9001 4.9001 5.0473 5.0473 6.4390 6.4390 7.5624 7.5624 7.6322 7.6322 8.6765 8.6765 11.3011 11.3011 11.9213 11.9213 14.1200 14.1200 k = 0.5905-0.1640-0.9558 ( 3190 PWs) bands (ev): -6.0990 -6.0990 -6.0652 -6.0652 -5.3067 -5.3067 -5.2334 -5.2334 -5.1780 -5.1780 -4.0043 -4.0043 -3.7674 -3.7674 2.4723 2.4723 3.3608 3.3608 3.8551 3.8551 4.0825 4.0825 4.2723 4.2723 4.7130 4.7130 4.8791 4.8791 5.0495 5.0495 6.4108 6.4108 7.6184 7.6184 7.7209 7.7209 8.6276 8.6276 11.2420 11.2420 11.9734 11.9734 14.0275 14.0275 k = 0.5845-0.1434-0.9558 ( 3186 PWs) bands (ev): -6.1002 -6.1002 -6.0641 -6.0641 -5.3085 -5.3085 -5.2306 -5.2306 -5.1774 -5.1774 -4.0161 -4.0161 -3.7666 -3.7666 2.4386 2.4386 3.3689 3.3689 3.8514 3.8514 4.0766 4.0766 4.3158 4.3158 4.7421 4.7421 4.8636 4.8636 5.0575 5.0575 6.3774 6.3774 7.6554 7.6554 7.8190 7.8190 8.5913 8.5913 11.1824 11.1824 12.0296 12.0296 13.9274 13.9274 k = 0.5785-0.1227-0.9558 ( 3186 PWs) bands (ev): -6.1014 -6.1014 -6.0631 -6.0631 -5.3102 -5.3102 -5.2279 -5.2279 -5.1767 -5.1767 -4.0275 -4.0275 -3.7662 -3.7662 2.4065 2.4065 3.3776 3.3776 3.8475 3.8475 4.0688 4.0688 4.3523 4.3523 4.7654 4.7654 4.8597 4.8597 5.0739 5.0739 6.3412 6.3412 7.6699 7.6699 7.9241 7.9241 8.5703 8.5703 11.1224 11.1224 12.0895 12.0895 13.8224 13.8224 k = 0.5724-0.1020-0.9558 ( 3186 PWs) bands (ev): -6.1026 -6.1026 -6.0621 -6.0621 -5.3119 -5.3119 -5.2254 -5.2254 -5.1759 -5.1759 -4.0383 -4.0383 -3.7661 -3.7661 2.3764 2.3764 3.3868 3.3868 3.8435 3.8435 4.0603 4.0603 4.3806 4.3806 4.7719 4.7719 4.8735 4.8735 5.1030 5.1030 6.3040 6.3040 7.6609 7.6609 8.0339 8.0339 8.5660 8.5660 11.0620 11.0620 12.1527 12.1527 13.7150 13.7150 k = 0.5664-0.0814-0.9558 ( 3186 PWs) bands (ev): -6.1037 -6.1037 -6.0612 -6.0612 -5.3134 -5.3134 -5.2231 -5.2231 -5.1751 -5.1751 -4.0486 -4.0486 -3.7662 -3.7662 2.3484 2.3484 3.3963 3.3963 3.8394 3.8394 4.0517 4.0517 4.4015 4.4015 4.7656 4.7656 4.8955 4.8955 5.1488 5.1488 6.2670 6.2670 7.6296 7.6296 8.1464 8.1464 8.5771 8.5771 11.0011 11.0011 12.2187 12.2187 13.6075 13.6075 k = 0.5604-0.0607-0.9558 ( 3184 PWs) bands (ev): -6.1047 -6.1047 -6.0603 -6.0603 -5.3148 -5.3148 -5.2210 -5.2210 -5.1742 -5.1742 -4.0582 -4.0582 -3.7665 -3.7665 2.3225 2.3225 3.4061 3.4061 3.8352 3.8352 4.0432 4.0432 4.4162 4.4162 4.7553 4.7553 4.9141 4.9141 5.2114 5.2114 6.2315 6.2315 7.5796 7.5796 8.2596 8.2596 8.6004 8.6004 10.9394 10.9394 12.2868 12.2868 13.5024 13.5024 k = 0.5543-0.0400-0.9558 ( 3178 PWs) bands (ev): -6.1056 -6.1056 -6.0595 -6.0595 -5.3161 -5.3161 -5.2191 -5.2191 -5.1732 -5.1732 -4.0670 -4.0670 -3.7670 -3.7670 2.2988 2.2988 3.4160 3.4160 3.8309 3.8309 4.0351 4.0351 4.4262 4.4262 4.7447 4.7447 4.9271 4.9271 5.2874 5.2874 6.1982 6.1982 7.5154 7.5154 8.3715 8.3715 8.6326 8.6326 10.8772 10.8772 12.3559 12.3559 13.4019 13.4019 k = 0.5483-0.0193-0.9558 ( 3180 PWs) bands (ev): -6.1065 -6.1065 -6.0588 -6.0588 -5.3173 -5.3173 -5.2175 -5.2175 -5.1722 -5.1722 -4.0751 -4.0751 -3.7675 -3.7675 2.2775 2.2775 3.4257 3.4257 3.8266 3.8266 4.0275 4.0275 4.4327 4.4327 4.7348 4.7348 4.9358 4.9358 5.3718 5.3718 6.1681 6.1681 7.4408 7.4408 8.4786 8.4786 8.6715 8.6715 10.8145 10.8145 12.4247 12.4247 13.3082 13.3082 k = 0.5422 0.0013-0.9558 ( 3174 PWs) bands (ev): -6.1072 -6.1072 -6.0582 -6.0582 -5.3183 -5.3183 -5.2160 -5.2160 -5.1712 -5.1712 -4.0824 -4.0824 -3.7681 -3.7681 2.2586 2.2586 3.4351 3.4351 3.8223 3.8223 4.0207 4.0207 4.4368 4.4368 4.7263 4.7263 4.9415 4.9415 5.4602 5.4602 6.1421 6.1421 7.3596 7.3596 8.5750 8.5750 8.7188 8.7188 10.7517 10.7517 12.4913 12.4913 13.2235 13.2235 k = 0.5362 0.0220-0.9558 ( 3176 PWs) bands (ev): -6.1079 -6.1079 -6.0576 -6.0576 -5.3193 -5.3193 -5.2148 -5.2148 -5.1703 -5.1703 -4.0889 -4.0889 -3.7687 -3.7687 2.2421 2.2421 3.4438 3.4438 3.8182 3.8182 4.0146 4.0146 4.4391 4.4391 4.7190 4.7190 4.9455 4.9455 5.5489 5.5489 6.1210 6.1210 7.2749 7.2749 8.6506 8.6506 8.7804 8.7804 10.6897 10.6897 12.5533 12.5533 13.1502 13.1502 k = 0.5302 0.0427-0.9558 ( 3172 PWs) bands (ev): -6.1085 -6.1085 -6.0572 -6.0572 -5.3200 -5.3200 -5.2137 -5.2137 -5.1695 -5.1695 -4.0944 -4.0944 -3.7692 -3.7692 2.2281 2.2281 3.4519 3.4519 3.8142 3.8142 4.0094 4.0094 4.4402 4.4402 4.7131 4.7131 4.9483 4.9483 5.6337 5.6337 6.1062 6.1062 7.1896 7.1896 8.7017 8.7017 8.8565 8.8565 10.6298 10.6298 12.6076 12.6076 13.0906 13.0906 k = 0.5241 0.0633-0.9558 ( 3174 PWs) bands (ev): -6.1090 -6.1090 -6.0568 -6.0568 -5.3207 -5.3207 -5.2129 -5.2129 -5.1687 -5.1687 -4.0989 -4.0989 -3.7697 -3.7697 2.2166 2.2166 3.4588 3.4588 3.8107 3.8107 4.0050 4.0050 4.4406 4.4406 4.7085 4.7085 4.9502 4.9502 5.7101 5.7101 6.0992 6.0992 7.1072 7.1072 8.7360 8.7360 8.9351 8.9351 10.5739 10.5739 12.6506 12.6506 13.0472 13.0472 k = 0.5181 0.0840-0.9558 ( 3174 PWs) bands (ev): -6.1094 -6.1094 -6.0565 -6.0565 -5.3212 -5.3212 -5.2123 -5.2123 -5.1681 -5.1681 -4.1025 -4.1025 -3.7701 -3.7701 2.2076 2.2076 3.4645 3.4645 3.8077 3.8077 4.0017 4.0017 4.4406 4.4406 4.7049 4.7049 4.9516 4.9516 5.7727 5.7727 6.1015 6.1015 7.0321 7.0321 8.7603 8.7603 9.0058 9.0058 10.5248 10.5248 12.6797 12.6797 13.0209 13.0209 k = 0.5121 0.1047-0.9558 ( 3174 PWs) bands (ev): -6.1096 -6.1096 -6.0563 -6.0563 -5.3216 -5.3216 -5.2119 -5.2119 -5.1677 -5.1677 -4.1051 -4.1051 -3.7704 -3.7704 2.2012 2.2012 3.4688 3.4688 3.8055 3.8055 3.9992 3.9992 4.4405 4.4405 4.7024 4.7024 4.9525 4.9525 5.8168 5.8168 6.1119 6.1119 6.9699 6.9699 8.7769 8.7769 9.0616 9.0616 10.4858 10.4858 12.6955 12.6955 13.0093 13.0093 k = 0.5060 0.1253-0.9558 ( 3182 PWs) bands (ev): -6.1098 -6.1098 -6.0562 -6.0562 -5.3218 -5.3218 -5.2117 -5.2117 -5.1674 -5.1674 -4.1066 -4.1066 -3.7706 -3.7706 2.1973 2.1973 3.4714 3.4714 3.8040 3.8040 3.9977 3.9977 4.4403 4.4403 4.7010 4.7010 4.9530 4.9530 5.8417 5.8417 6.1244 6.1244 6.9279 6.9279 8.7866 8.7866 9.0975 9.0975 10.4605 10.4605 12.7018 12.7018 13.0065 13.0065 k = 0.5000 0.1460-0.9558 ( 3184 PWs) bands (ev): -6.1099 -6.1099 -6.0562 -6.0562 -5.3219 -5.3219 -5.2116 -5.2116 -5.1673 -5.1673 -4.1072 -4.1072 -3.7706 -3.7706 2.1960 2.1960 3.4723 3.4723 3.8035 3.8035 3.9972 3.9972 4.4402 4.4402 4.7005 4.7005 4.9532 4.9532 5.8496 5.8496 6.1301 6.1301 6.9129 6.9129 8.7898 8.7898 9.1099 9.1099 10.4517 10.4517 12.7033 12.7033 13.0063 13.0063 k = 0.5000 0.1460-0.9558 ( 3184 PWs) bands (ev): -6.1099 -6.1099 -6.0562 -6.0562 -5.3219 -5.3219 -5.2116 -5.2116 -5.1673 -5.1673 -4.1072 -4.1072 -3.7706 -3.7706 2.1960 2.1960 3.4723 3.4723 3.8035 3.8035 3.9972 3.9972 4.4402 4.4402 4.7005 4.7005 4.9532 4.9532 5.8496 5.8496 6.1301 6.1301 6.9129 6.9129 8.7898 8.7898 9.1099 9.1099 10.4517 10.4517 12.7033 12.7033 13.0063 13.0063 k = 0.5174 0.1511-0.9459 ( 3188 PWs) bands (ev): -6.1099 -6.1099 -6.0562 -6.0562 -5.3219 -5.3219 -5.2116 -5.2116 -5.1673 -5.1673 -4.1066 -4.1066 -3.7714 -3.7714 2.1970 2.1970 3.4722 3.4722 3.7961 3.7961 4.0036 4.0036 4.4409 4.4409 4.7013 4.7013 4.9527 4.9527 5.8490 5.8490 6.1270 6.1270 6.9209 6.9209 8.7785 8.7785 9.1065 9.1065 10.4648 10.4648 12.7013 12.7013 13.0003 13.0003 k = 0.5349 0.1562-0.9360 ( 3186 PWs) bands (ev): -6.1099 -6.1099 -6.0562 -6.0562 -5.3220 -5.3220 -5.2116 -5.2116 -5.1673 -5.1673 -4.1051 -4.1051 -3.7735 -3.7735 2.2000 2.2000 3.4718 3.4718 3.7764 3.7764 4.0202 4.0202 4.4430 4.4430 4.7039 4.7039 4.9513 4.9513 5.8473 5.8473 6.1186 6.1186 6.9440 6.9440 8.7452 8.7452 9.0968 9.0968 10.5029 10.5029 12.6937 12.6937 12.9855 12.9855 k = 0.5523 0.1613-0.9261 ( 3181 PWs) bands (ev): -6.1099 -6.1099 -6.0562 -6.0562 -5.3221 -5.3221 -5.2116 -5.2116 -5.1673 -5.1673 -4.1025 -4.1025 -3.7770 -3.7770 2.2049 2.2049 3.4711 3.4711 3.7494 3.7494 4.0417 4.0417 4.4465 4.4465 4.7084 4.7084 4.9491 4.9491 5.8439 5.8439 6.1069 6.1069 6.9807 6.9807 8.6924 8.6924 9.0818 9.0818 10.5628 10.5628 12.6752 12.6752 12.9710 12.9710 k = 0.5697 0.1664-0.9162 ( 3181 PWs) bands (ev): -6.1100 -6.1100 -6.0562 -6.0562 -5.3223 -5.3223 -5.2116 -5.2116 -5.1674 -5.1674 -4.0989 -4.0989 -3.7819 -3.7819 2.2118 2.2118 3.4702 3.4702 3.7186 3.7186 4.0643 4.0643 4.4512 4.4512 4.7148 4.7148 4.9465 4.9465 5.8382 5.8382 6.0944 6.0944 7.0285 7.0285 8.6235 8.6235 9.0626 9.0626 10.6403 10.6403 12.6402 12.6402 12.9666 12.9666 k = 0.5872 0.1715-0.9063 ( 3189 PWs) bands (ev): -6.1101 -6.1101 -6.0563 -6.0563 -5.3226 -5.3226 -5.2117 -5.2117 -5.1675 -5.1675 -4.0943 -4.0943 -3.7882 -3.7882 2.2207 2.2207 3.4689 3.4689 3.6862 3.6862 4.0854 4.0854 4.4570 4.4570 4.7233 4.7233 4.9436 4.9436 5.8298 5.8298 6.0837 6.0837 7.0851 7.0851 8.5428 8.5428 9.0399 9.0399 10.7315 10.7315 12.5871 12.5871 12.9775 12.9775 k = 0.6046 0.1765-0.8964 ( 3182 PWs) bands (ev): -6.1101 -6.1101 -6.0563 -6.0563 -5.3228 -5.3228 -5.2117 -5.2117 -5.1675 -5.1675 -4.0888 -4.0888 -3.7957 -3.7957 2.2315 2.2315 3.4675 3.4675 3.6533 3.6533 4.1037 4.1037 4.4634 4.4634 4.7338 4.7338 4.9414 4.9414 5.8184 5.8184 6.0768 6.0768 7.1481 7.1481 8.4542 8.4542 9.0141 9.0141 10.8327 10.8327 12.5191 12.5191 13.0029 13.0029 k = 0.6220 0.1816-0.8865 ( 3182 PWs) bands (ev): -6.1101 -6.1101 -6.0563 -6.0563 -5.3231 -5.3231 -5.2117 -5.2117 -5.1675 -5.1675 -4.0823 -4.0823 -3.8045 -3.8045 2.2442 2.2442 3.4657 3.4657 3.6207 3.6207 4.1182 4.1182 4.4699 4.4699 4.7456 4.7456 4.9406 4.9406 5.8044 5.8044 6.0745 6.0745 7.2150 7.2150 8.3617 8.3617 8.9854 8.9854 10.9411 10.9411 12.4409 12.4409 13.0401 13.0401 k = 0.6395 0.1867-0.8766 ( 3183 PWs) bands (ev): -6.1101 -6.1101 -6.0563 -6.0563 -5.3235 -5.3235 -5.2117 -5.2117 -5.1676 -5.1676 -4.0751 -4.0751 -3.8144 -3.8144 2.2588 2.2588 3.4636 3.4636 3.5890 3.5890 4.1289 4.1289 4.4760 4.4760 4.7577 4.7577 4.9426 4.9426 5.7884 5.7884 6.0772 6.0772 7.2829 7.2829 8.2695 8.2695 8.9542 8.9542 11.0544 11.0544 12.3562 12.3562 13.0866 13.0866 k = 0.6569 0.1918-0.8667 ( 3185 PWs) bands (ev): -6.1102 -6.1102 -6.0563 -6.0563 -5.3238 -5.3238 -5.2118 -5.2118 -5.1677 -5.1677 -4.0671 -4.0671 -3.8255 -3.8255 2.2752 2.2752 3.4609 3.4609 3.5585 3.5585 4.1356 4.1356 4.4812 4.4812 4.7684 4.7684 4.9490 4.9490 5.7718 5.7718 6.0843 6.0843 7.3478 7.3478 8.1826 8.1826 8.9209 8.9209 11.1705 11.1705 12.2680 12.2680 13.1406 13.1406 k = 0.6569 0.1918-0.8667 ( 3185 PWs) bands (ev): -6.1102 -6.1102 -6.0563 -6.0563 -5.3238 -5.3238 -5.2118 -5.2118 -5.1677 -5.1677 -4.0671 -4.0671 -3.8255 -3.8255 2.2752 2.2752 3.4609 3.4609 3.5585 3.5585 4.1356 4.1356 4.4812 4.4812 4.7684 4.7684 4.9490 4.9490 5.7718 5.7718 6.0843 6.0843 7.3478 7.3478 8.1826 8.1826 8.9209 8.9209 11.1705 11.1705 12.2680 12.2680 13.1406 13.1406 k = 0.6533 0.1908-0.8450 ( 3179 PWs) bands (ev): -6.1101 -6.1101 -6.0563 -6.0563 -5.3241 -5.3241 -5.2118 -5.2118 -5.1680 -5.1680 -4.0619 -4.0619 -3.8414 -3.8414 2.2772 2.2772 3.4599 3.4599 3.5163 3.5163 4.1561 4.1561 4.4865 4.4865 4.7823 4.7823 4.9694 4.9694 5.8263 5.8263 6.1106 6.1106 7.2879 7.2879 8.1465 8.1465 8.9295 8.9295 11.2121 11.2121 12.2655 12.2655 13.1381 13.1381 k = 0.6498 0.1897-0.8232 ( 3181 PWs) bands (ev): -6.1099 -6.1099 -6.0564 -6.0564 -5.3243 -5.3243 -5.2119 -5.2119 -5.1683 -5.1683 -4.0595 -4.0595 -3.8579 -3.8579 2.2821 2.2821 3.4528 3.4528 3.4841 3.4841 4.1713 4.1713 4.4884 4.4884 4.7917 4.7917 4.9989 4.9989 5.8782 5.8782 6.1447 6.1447 7.2296 7.2296 8.1166 8.1166 8.9380 8.9380 11.2542 11.2542 12.2675 12.2675 13.1385 13.1385 k = 0.6462 0.1887-0.8015 ( 3175 PWs) bands (ev): -6.1095 -6.1095 -6.0564 -6.0564 -5.3244 -5.3244 -5.2119 -5.2119 -5.1688 -5.1688 -4.0603 -4.0603 -3.8744 -3.8744 2.2892 2.2892 3.4298 3.4298 3.4726 3.4726 4.1811 4.1811 4.4875 4.4875 4.7964 4.7964 5.0370 5.0370 5.9268 5.9268 6.1856 6.1856 7.1727 7.1727 8.0946 8.0946 8.9465 8.9465 11.2970 11.2970 12.2739 12.2739 13.1417 13.1417 k = 0.6427 0.1877-0.7798 ( 3183 PWs) bands (ev): -6.1091 -6.1091 -6.0565 -6.0565 -5.3244 -5.3244 -5.2120 -5.2120 -5.1694 -5.1694 -4.0645 -4.0645 -3.8905 -3.8905 2.2981 2.2981 3.4032 3.4032 3.4703 3.4703 4.1854 4.1854 4.4847 4.4847 4.7973 4.7973 5.0818 5.0818 5.9723 5.9723 6.2317 6.2317 7.1171 7.1171 8.0824 8.0824 8.9550 8.9550 11.3403 11.3403 12.2841 12.2841 13.1476 13.1476 k = 0.6391 0.1866-0.7581 ( 3171 PWs) bands (ev): -6.1086 -6.1086 -6.0565 -6.0565 -5.3243 -5.3243 -5.2121 -5.2121 -5.1700 -5.1700 -4.0725 -4.0725 -3.9059 -3.9059 2.3080 2.3080 3.3811 3.3811 3.4697 3.4697 4.1843 4.1843 4.4807 4.4807 4.7961 4.7961 5.1311 5.1311 6.0157 6.0157 6.2803 6.2803 7.0631 7.0631 8.0816 8.0816 8.9632 8.9632 11.3841 11.3841 12.2978 12.2978 13.1564 13.1564 k = 0.6355 0.1856-0.7363 ( 3169 PWs) bands (ev): -6.1080 -6.1080 -6.0566 -6.0566 -5.3241 -5.3241 -5.2121 -5.2121 -5.1707 -5.1707 -4.0845 -4.0845 -3.9201 -3.9201 2.3184 2.3184 3.3654 3.3654 3.4694 3.4694 4.1781 4.1781 4.4757 4.4757 4.7937 4.7937 5.1830 5.1830 6.0577 6.0577 6.3293 6.3293 7.0108 7.0108 8.0935 8.0935 8.9714 8.9714 11.4287 11.4287 12.3146 12.3146 13.1678 13.1678 k = 0.6320 0.1845-0.7146 ( 3171 PWs) bands (ev): -6.1073 -6.1073 -6.0567 -6.0567 -5.3238 -5.3238 -5.2122 -5.2122 -5.1716 -5.1716 -4.1004 -4.1004 -3.9330 -3.9330 2.3287 2.3287 3.3566 3.3566 3.4694 3.4694 4.1671 4.1671 4.4699 4.4699 4.7910 4.7910 5.2355 5.2355 6.0994 6.0994 6.3768 6.3768 6.9607 6.9607 8.1192 8.1192 8.9793 8.9793 11.4740 11.4740 12.3341 12.3341 13.1819 13.1819 k = 0.6284 0.1835-0.6929 ( 3176 PWs) bands (ev): -6.1065 -6.1065 -6.0568 -6.0568 -5.3234 -5.3234 -5.2123 -5.2123 -5.1725 -5.1725 -4.1201 -4.1201 -3.9447 -3.9447 2.3383 2.3383 3.3549 3.3549 3.4697 3.4697 4.1521 4.1521 4.4635 4.4635 4.7888 4.7888 5.2868 5.2868 6.1412 6.1412 6.4214 6.4214 6.9138 6.9138 8.1590 8.1590 8.9870 8.9870 11.5201 11.5201 12.3562 12.3562 13.1987 13.1987 k = 0.6248 0.1824-0.6712 ( 3177 PWs) bands (ev): -6.1057 -6.1057 -6.0568 -6.0568 -5.3230 -5.3230 -5.2124 -5.2124 -5.1734 -5.1734 -4.1430 -4.1430 -3.9554 -3.9554 2.3469 2.3469 3.3600 3.3600 3.4706 3.4706 4.1336 4.1336 4.4567 4.4567 4.7873 4.7873 5.3352 5.3352 6.1838 6.1838 6.4626 6.4626 6.8713 6.8713 8.2129 8.2129 8.9945 8.9945 11.5671 11.5671 12.3805 12.3805 13.2180 13.2180 k = 0.6213 0.1814-0.6495 ( 3175 PWs) bands (ev): -6.1047 -6.1047 -6.0569 -6.0569 -5.3224 -5.3224 -5.2125 -5.2125 -5.1744 -5.1744 -4.1686 -4.1686 -3.9655 -3.9655 2.3544 2.3544 3.3705 3.3705 3.4731 3.4731 4.1123 4.1123 4.4493 4.4493 4.7870 4.7870 5.3786 5.3786 6.2275 6.2275 6.4997 6.4997 6.8349 6.8349 8.2803 8.2803 9.0017 9.0017 11.6151 11.6151 12.4068 12.4068 13.2399 13.2399 k = 0.6177 0.1804-0.6277 ( 3179 PWs) bands (ev): -6.1038 -6.1038 -6.0570 -6.0570 -5.3217 -5.3217 -5.2126 -5.2126 -5.1755 -5.1755 -4.1965 -4.1965 -3.9753 -3.9753 2.3606 2.3606 3.3843 3.3843 3.4789 3.4789 4.0888 4.0888 4.4416 4.4416 4.7879 4.7879 5.4154 5.4154 6.2728 6.2728 6.5321 6.5321 6.8070 6.8070 8.3600 8.3600 9.0087 9.0087 11.6640 11.6640 12.4350 12.4350 13.2642 13.2642 k = 0.6141 0.1793-0.6060 ( 3179 PWs) bands (ev): -6.1027 -6.1027 -6.0571 -6.0571 -5.3209 -5.3209 -5.2128 -5.2128 -5.1766 -5.1766 -4.2261 -4.2261 -3.9850 -3.9850 2.3659 2.3659 3.3973 3.3973 3.4911 3.4911 4.0637 4.0637 4.4336 4.4336 4.7901 4.7901 5.4438 5.4438 6.3202 6.3202 6.5584 6.5584 6.7911 6.7911 8.4509 8.4509 9.0154 9.0154 11.7138 11.7138 12.4649 12.4649 13.2909 13.2909 k = 0.6106 0.1783-0.5843 ( 3183 PWs) bands (ev): -6.1016 -6.1016 -6.0572 -6.0572 -5.3201 -5.3201 -5.2129 -5.2129 -5.1778 -5.1778 -4.2572 -4.2572 -3.9947 -3.9947 2.3704 2.3704 3.4058 3.4058 3.5124 3.5124 4.0379 4.0379 4.4255 4.4255 4.7934 4.7934 5.4627 5.4627 6.3698 6.3698 6.5769 6.5769 6.7907 6.7907 8.5513 8.5513 9.0219 9.0219 11.7645 11.7645 12.4964 12.4964 13.3198 13.3198 k = 0.6070 0.1772-0.5626 ( 3179 PWs) bands (ev): -6.1004 -6.1004 -6.0573 -6.0573 -5.3190 -5.3190 -5.2130 -5.2130 -5.1789 -5.1789 -4.2895 -4.2895 -4.0045 -4.0045 2.3745 2.3745 3.4087 3.4087 3.5422 3.5422 4.0123 4.0123 4.4175 4.4175 4.7975 4.7975 5.4719 5.4719 6.4215 6.4215 6.5877 6.5877 6.8076 6.8076 8.6596 8.6596 9.0284 9.0284 11.8161 11.8161 12.5295 12.5295 13.3510 13.3510 k = 0.6034 0.1762-0.5408 ( 3181 PWs) bands (ev): -6.0991 -6.0991 -6.0574 -6.0574 -5.3179 -5.3179 -5.2131 -5.2131 -5.1801 -5.1801 -4.3225 -4.3225 -4.0146 -4.0146 2.3786 2.3786 3.4076 3.4076 3.5773 3.5773 3.9879 3.9879 4.4098 4.4098 4.8019 4.8019 5.4718 5.4718 6.4735 6.4735 6.5952 6.5952 6.8398 6.8398 8.7737 8.7737 9.0354 9.0354 11.8685 11.8685 12.5641 12.5641 13.3844 13.3844 k = 0.5999 0.1752-0.5191 ( 3183 PWs) bands (ev): -6.0979 -6.0979 -6.0575 -6.0575 -5.3167 -5.3167 -5.2132 -5.2132 -5.1813 -5.1813 -4.3563 -4.3563 -4.0249 -4.0249 2.3831 2.3831 3.4038 3.4038 3.6135 3.6135 3.9667 3.9667 4.4025 4.4025 4.8061 4.8061 5.4641 5.4641 6.5199 6.5199 6.6087 6.6087 6.8842 6.8842 8.8898 8.8898 9.0455 9.0455 11.9216 11.9216 12.6000 12.6000 13.4197 13.4197 k = 0.5963 0.1741-0.4974 ( 3179 PWs) bands (ev): -6.0965 -6.0965 -6.0575 -6.0575 -5.3153 -5.3153 -5.2134 -5.2134 -5.1825 -5.1825 -4.3904 -4.3904 -4.0354 -4.0354 2.3884 2.3884 3.3981 3.3981 3.6465 3.6465 3.9514 3.9514 4.3957 4.3957 4.8091 4.8091 5.4512 5.4512 6.5490 6.5490 6.6419 6.6419 6.9381 6.9381 8.9892 8.9892 9.0760 9.0760 11.9754 11.9754 12.6372 12.6372 13.4569 13.4569 k = 0.5927 0.1731-0.4757 ( 3180 PWs) bands (ev): -6.0952 -6.0952 -6.0576 -6.0576 -5.3138 -5.3138 -5.2135 -5.2135 -5.1837 -5.1837 -4.4248 -4.4248 -4.0461 -4.0461 2.3947 2.3947 3.3911 3.3911 3.6710 3.6710 3.9458 3.9458 4.3896 4.3896 4.8094 4.8094 5.4360 5.4360 6.5623 6.5623 6.6938 6.6938 7.0000 7.0000 9.0252 9.0252 9.1721 9.1721 12.0298 12.0298 12.6752 12.6752 13.4959 13.4959 k = 0.5892 0.1720-0.4540 ( 3174 PWs) bands (ev): -6.0938 -6.0938 -6.0576 -6.0576 -5.3121 -5.3121 -5.2137 -5.2137 -5.1849 -5.1849 -4.4594 -4.4594 -4.0569 -4.0569 2.4024 2.4024 3.3830 3.3830 3.6824 3.6824 3.9534 3.9534 4.3843 4.3843 4.8055 4.8055 5.4219 5.4219 6.5709 6.5709 6.7533 6.7533 7.0689 7.0689 9.0345 9.0345 9.2962 9.2962 12.0848 12.0848 12.7136 12.7136 13.5366 13.5366 k = 0.5856 0.1710-0.4322 ( 3174 PWs) bands (ev): -6.0924 -6.0924 -6.0576 -6.0576 -5.3103 -5.3103 -5.2138 -5.2138 -5.1860 -5.1860 -4.4939 -4.4939 -4.0678 -4.0678 2.4117 2.4117 3.3741 3.3741 3.6799 3.6799 3.9742 3.9742 4.3796 4.3796 4.7957 4.7957 5.4124 5.4124 6.5799 6.5799 6.8149 6.8149 7.1441 7.1441 9.0389 9.0389 9.4251 9.4251 12.1406 12.1406 12.7517 12.7517 13.5786 13.5786 k = 0.5820 0.1700-0.4105 ( 3175 PWs) bands (ev): -6.0911 -6.0911 -6.0575 -6.0575 -5.3083 -5.3083 -5.2140 -5.2140 -5.1871 -5.1871 -4.5283 -4.5283 -4.0788 -4.0788 2.4228 2.4228 3.3645 3.3645 3.6664 3.6664 4.0043 4.0043 4.3756 4.3756 4.7784 4.7784 5.4101 5.4101 6.5911 6.5911 6.8769 6.8769 7.2249 7.2249 9.0413 9.0413 9.5545 9.5545 12.1969 12.1969 12.7886 12.7886 13.6219 13.6219 k = 0.5785 0.1689-0.3888 ( 3173 PWs) bands (ev): -6.0897 -6.0897 -6.0575 -6.0575 -5.3062 -5.3062 -5.2142 -5.2142 -5.1882 -5.1882 -4.5624 -4.5624 -4.0897 -4.0897 2.4358 2.4358 3.3543 3.3543 3.6460 3.6460 4.0388 4.0388 4.3721 4.3721 4.7529 4.7529 5.4170 5.4170 6.6053 6.6053 6.9382 6.9382 7.3106 7.3106 9.0426 9.0426 9.6825 9.6825 12.2538 12.2538 12.8229 12.8229 13.6661 13.6661 k = 0.5749 0.1679-0.3671 ( 3172 PWs) bands (ev): -6.0884 -6.0884 -6.0574 -6.0574 -5.3039 -5.3039 -5.2144 -5.2144 -5.1892 -5.1892 -4.5962 -4.5962 -4.1006 -4.1006 2.4508 2.4508 3.3437 3.3437 3.6217 3.6217 4.0742 4.0742 4.3691 4.3691 4.7196 4.7196 5.4335 5.4335 6.6232 6.6232 6.9987 6.9987 7.4003 7.4003 9.0430 9.0430 9.8077 9.8077 12.3108 12.3108 12.8532 12.8532 13.7108 13.7108 k = 0.5713 0.1668-0.3453 ( 3170 PWs) bands (ev): -6.0871 -6.0871 -6.0572 -6.0572 -5.3013 -5.3013 -5.2146 -5.2146 -5.1902 -5.1902 -4.6295 -4.6295 -4.1114 -4.1114 2.4680 2.4680 3.3329 3.3329 3.5953 3.5953 4.1079 4.1079 4.3662 4.3662 4.6799 4.6799 5.4588 5.4588 6.6453 6.6453 7.0581 7.0581 7.4933 7.4933 9.0425 9.0425 9.9287 9.9287 12.3667 12.3667 12.8783 12.8783 13.7553 13.7553 k = 0.5678 0.1658-0.3236 ( 3167 PWs) bands (ev): -6.0859 -6.0859 -6.0569 -6.0569 -5.2986 -5.2986 -5.2148 -5.2148 -5.1910 -5.1910 -4.6622 -4.6622 -4.1220 -4.1220 2.4874 2.4874 3.3218 3.3218 3.5681 3.5681 4.1381 4.1381 4.3632 4.3632 4.6359 4.6359 5.4914 5.4914 6.6721 6.6721 7.1164 7.1164 7.5889 7.5889 9.0412 9.0412 10.0441 10.0441 12.4190 12.4190 12.8982 12.8982 13.7986 13.7986 k = 0.5642 0.1647-0.3019 ( 3162 PWs) bands (ev): -6.0847 -6.0847 -6.0566 -6.0566 -5.2956 -5.2956 -5.2151 -5.2151 -5.1919 -5.1919 -4.6942 -4.6942 -4.1324 -4.1324 2.5090 2.5090 3.3106 3.3106 3.5406 3.5406 4.1632 4.1632 4.3596 4.3596 4.5905 4.5905 5.5293 5.5293 6.7042 6.7042 7.1736 7.1736 7.6862 7.6862 9.0392 9.0392 10.1527 10.1527 12.4623 12.4623 12.9156 12.9156 13.8378 13.8378 k = 0.5606 0.1637-0.2802 ( 3157 PWs) bands (ev): -6.0835 -6.0835 -6.0562 -6.0562 -5.2924 -5.2924 -5.2153 -5.2153 -5.1926 -5.1926 -4.7256 -4.7256 -4.1425 -4.1425 2.5329 2.5329 3.2995 3.2995 3.5134 3.5134 4.1808 4.1808 4.3551 4.3551 4.5470 4.5470 5.5706 5.5706 6.7421 6.7421 7.2296 7.2296 7.7847 7.7847 9.0365 9.0365 10.2535 10.2535 12.4880 12.4880 12.9378 12.9378 13.8637 13.8637 k = 0.5571 0.1627-0.2585 ( 3155 PWs) bands (ev): -6.0825 -6.0825 -6.0558 -6.0558 -5.2889 -5.2889 -5.2155 -5.2155 -5.1933 -5.1933 -4.7561 -4.7561 -4.1523 -4.1523 2.5590 2.5590 3.2884 3.2884 3.4869 3.4869 4.1872 4.1872 4.3504 4.3504 4.5096 4.5096 5.6133 5.6133 6.7860 6.7860 7.2845 7.2845 7.8837 7.8837 9.0331 9.0331 10.3454 10.3454 12.4860 12.4860 12.9748 12.9748 13.8544 13.8544 k = 0.5535 0.1616-0.2367 ( 3157 PWs) bands (ev): -6.0816 -6.0816 -6.0554 -6.0554 -5.2852 -5.2852 -5.2158 -5.2158 -5.1939 -5.1939 -4.7858 -4.7858 -4.1617 -4.1617 2.5873 2.5873 3.2775 3.2775 3.4613 3.4613 4.1777 4.1777 4.3476 4.3476 4.4817 4.4817 5.6558 5.6558 6.8363 6.8363 7.3381 7.3381 7.9826 7.9826 9.0291 9.0291 10.4277 10.4277 12.4519 12.4519 13.0330 13.0330 13.8114 13.8114 k = 0.5499 0.1606-0.2150 ( 3157 PWs) bands (ev): -6.0807 -6.0807 -6.0549 -6.0549 -5.2813 -5.2813 -5.2159 -5.2159 -5.1944 -5.1944 -4.8145 -4.8145 -4.1707 -4.1707 2.6179 2.6179 3.2669 3.2669 3.4367 3.4367 4.1499 4.1499 4.3490 4.3490 4.4640 4.4640 5.6968 5.6968 6.8927 6.8927 7.3905 7.3905 8.0808 8.0808 9.0246 9.0246 10.4997 10.4997 12.3898 12.3898 13.1112 13.1112 13.7509 13.7509 k = 0.5464 0.1595-0.1933 ( 3151 PWs) bands (ev): -6.0799 -6.0799 -6.0543 -6.0543 -5.2771 -5.2771 -5.2160 -5.2160 -5.1948 -5.1948 -4.8422 -4.8422 -4.1793 -4.1793 2.6507 2.6507 3.2567 3.2567 3.4135 3.4135 4.1070 4.1070 4.3545 4.3545 4.4544 4.4544 5.7352 5.7352 6.9549 6.9549 7.4415 7.4415 8.1775 8.1775 9.0197 9.0197 10.5614 10.5614 12.3075 12.3075 13.2044 13.2044 13.6788 13.6788 k = 0.5428 0.1585-0.1716 ( 3149 PWs) bands (ev): -6.0793 -6.0793 -6.0536 -6.0536 -5.2726 -5.2726 -5.2160 -5.2160 -5.1952 -5.1952 -4.8689 -4.8689 -4.1873 -4.1873 2.6855 2.6855 3.2470 3.2470 3.3916 3.3916 4.0540 4.0540 4.3620 4.3620 4.4502 4.4502 5.7703 5.7703 7.0221 7.0221 7.4913 7.4913 8.2722 8.2722 9.0144 9.0144 10.6126 10.6126 12.2119 12.2119 13.3069 13.3069 13.6005 13.6005 k = 0.5392 0.1575-0.1499 ( 3153 PWs) bands (ev): -6.0787 -6.0787 -6.0530 -6.0530 -5.2680 -5.2680 -5.2160 -5.2160 -5.1955 -5.1955 -4.8944 -4.8944 -4.1949 -4.1949 2.7224 2.7224 3.2378 3.2378 3.3712 3.3712 3.9951 3.9951 4.3700 4.3700 4.4494 4.4494 5.8017 5.8017 7.0931 7.0931 7.5398 7.5398 8.3641 8.3641 9.0089 9.0089 10.6536 10.6536 12.1087 12.1087 13.4047 13.4047 13.5306 13.5306 k = 0.5357 0.1564-0.1281 ( 3155 PWs) bands (ev): -6.0782 -6.0782 -6.0523 -6.0523 -5.2632 -5.2632 -5.2156 -5.2156 -5.1958 -5.1958 -4.9188 -4.9188 -4.2019 -4.2019 2.7613 2.7613 3.2292 3.2292 3.3525 3.3525 3.9329 3.9329 4.3776 4.3776 4.4506 4.4506 5.8295 5.8295 7.1663 7.1663 7.5871 7.5871 8.4522 8.4522 9.0034 9.0034 10.6849 10.6849 12.0023 12.0023 13.4029 13.4029 13.5644 13.5644 k = 0.5321 0.1554-0.1064 ( 3148 PWs) bands (ev): -6.0778 -6.0778 -6.0516 -6.0516 -5.2583 -5.2583 -5.2150 -5.2150 -5.1959 -5.1959 -4.9419 -4.9419 -4.2083 -4.2083 2.8020 2.8020 3.2213 3.2213 3.3355 3.3355 3.8690 3.8690 4.3846 4.3846 4.4531 4.4531 5.8536 5.8536 7.2399 7.2399 7.6334 7.6334 8.5356 8.5356 8.9982 8.9982 10.7071 10.7071 11.8961 11.8961 13.3293 13.3293 13.6736 13.6736 k = 0.5285 0.1543-0.0847 ( 3146 PWs) bands (ev): -6.0774 -6.0774 -6.0510 -6.0510 -5.2535 -5.2535 -5.2140 -5.2140 -5.1960 -5.1960 -4.9637 -4.9637 -4.2140 -4.2140 2.8444 2.8444 3.2141 3.2141 3.3203 3.3203 3.8043 3.8043 4.3906 4.3906 4.4563 4.4563 5.8742 5.8742 7.3117 7.3117 7.6789 7.6789 8.6131 8.6131 8.9937 8.9937 10.7211 10.7211 11.7930 11.7930 13.2534 13.2534 13.7874 13.7874 k = 0.5250 0.1533-0.0630 ( 3138 PWs) bands (ev): -6.0771 -6.0771 -6.0503 -6.0503 -5.2489 -5.2489 -5.2125 -5.2125 -5.1960 -5.1960 -4.9840 -4.9840 -4.2192 -4.2192 2.8882 2.8882 3.2079 3.2079 3.3070 3.3070 3.7396 3.7396 4.3957 4.3957 4.4598 4.4598 5.8916 5.8916 7.3793 7.3793 7.7236 7.7236 8.6832 8.6832 8.9904 8.9904 10.7281 10.7281 11.6955 11.6955 13.1824 13.1824 13.8961 13.8961 k = 0.5214 0.1522-0.0412 ( 3135 PWs) bands (ev): -6.0768 -6.0768 -6.0497 -6.0497 -5.2449 -5.2449 -5.2104 -5.2104 -5.1959 -5.1959 -5.0027 -5.0027 -4.2237 -4.2237 2.9330 2.9330 3.2028 3.2028 3.2959 3.2959 3.6755 3.6755 4.4000 4.4000 4.4632 4.4632 5.9061 5.9061 7.4405 7.4405 7.7676 7.7676 8.7445 8.7445 8.9890 8.9890 10.7292 10.7292 11.6060 11.6060 13.1185 13.1185 13.9948 13.9948 k = 0.5178 0.1512-0.0195 ( 3131 PWs) bands (ev): -6.0766 -6.0766 -6.0492 -6.0492 -5.2416 -5.2416 -5.2077 -5.2077 -5.1956 -5.1956 -5.0197 -5.0197 -4.2276 -4.2276 2.9783 2.9783 3.1989 3.1989 3.2870 3.2870 3.6123 3.6123 4.4036 4.4036 4.4664 4.4664 5.9178 5.9178 7.4933 7.4933 7.8101 7.8101 8.7948 8.7948 8.9908 8.9908 10.7260 10.7260 11.5264 11.5264 13.0630 13.0630 14.0797 14.0797 k = 0.5143 0.1502 0.0022 ( 3123 PWs) bands (ev): -6.0764 -6.0764 -6.0487 -6.0487 -5.2390 -5.2390 -5.2047 -5.2047 -5.1948 -5.1948 -5.0346 -5.0346 -4.2307 -4.2307 3.0227 3.0227 3.1967 3.1967 3.2809 3.2809 3.5508 3.5508 4.4065 4.4065 4.4691 4.4691 5.9272 5.9272 7.5366 7.5366 7.8498 7.8498 8.8325 8.8325 8.9966 8.9966 10.7201 10.7201 11.4586 11.4586 13.0168 13.0168 14.1483 14.1483 k = 0.5107 0.1491 0.0239 ( 3122 PWs) bands (ev): -6.0763 -6.0763 -6.0484 -6.0484 -5.2372 -5.2372 -5.2022 -5.2022 -5.1935 -5.1935 -5.0471 -5.0471 -4.2332 -4.2332 3.0641 3.0641 3.1970 3.1970 3.2786 3.2786 3.4916 3.4916 4.4086 4.4086 4.4714 4.4714 5.9342 5.9342 7.5699 7.5699 7.8845 7.8845 8.8574 8.8574 9.0062 9.0062 10.7133 10.7133 11.4041 11.4041 12.9803 12.9803 14.2003 14.2003 k = 0.5071 0.1481 0.0456 ( 3124 PWs) bands (ev): -6.0763 -6.0763 -6.0481 -6.0481 -5.2361 -5.2361 -5.2007 -5.2007 -5.1915 -5.1915 -5.0567 -5.0567 -4.2350 -4.2350 3.0981 3.0981 3.2007 3.2007 3.2823 3.2823 3.4360 3.4360 4.4101 4.4101 4.4730 4.4730 5.9391 5.9391 7.5933 7.5933 7.9118 7.9118 8.8715 8.8715 9.0168 9.0168 10.7070 10.7070 11.3642 11.3642 12.9540 12.9540 14.2364 14.2364 k = 0.5036 0.1470 0.0674 ( 3116 PWs) bands (ev): -6.0762 -6.0762 -6.0479 -6.0479 -5.2354 -5.2354 -5.2000 -5.2000 -5.1896 -5.1896 -5.0628 -5.0628 -4.2360 -4.2360 3.1193 3.1193 3.2065 3.2065 3.2953 3.2953 3.3873 3.3873 4.4111 4.4111 4.4740 4.4740 5.9420 5.9420 7.6072 7.6072 7.9293 7.9293 8.8782 8.8782 9.0250 9.0250 10.7027 10.7027 11.3399 11.3399 12.9381 12.9381 14.2575 14.2575 k = 0.5000 0.1460 0.0891 ( 3112 PWs) bands (ev): -6.0761 -6.0761 -6.0478 -6.0478 -5.2352 -5.2352 -5.1998 -5.1998 -5.1889 -5.1889 -5.0649 -5.0649 -4.2364 -4.2364 3.1261 3.1261 3.2095 3.2095 3.3091 3.3091 3.3609 3.3609 4.4114 4.4114 4.4744 4.4744 5.9430 5.9430 7.6118 7.6118 7.9353 7.9353 8.8802 8.8802 9.0280 9.0280 10.7011 10.7011 11.3317 11.3317 12.9328 12.9328 14.2645 14.2645 k = 0.5000-0.7832-0.4779 ( 3208 PWs) bands (ev): -6.1103 -6.1103 -6.0565 -6.0565 -5.3241 -5.3241 -5.2122 -5.2122 -5.1677 -5.1677 -4.0454 -4.0454 -3.8436 -3.8436 2.7421 2.7421 3.4201 3.4201 3.4431 3.4431 3.6230 3.6230 4.5222 4.5222 4.7234 4.7234 5.2613 5.2613 5.2794 5.2794 6.3053 6.3053 7.1430 7.1430 8.3428 8.3428 8.9804 8.9804 10.9328 10.9328 12.7425 12.7425 13.7962 13.7962 k = 0.5196-0.7740-0.4723 ( 3207 PWs) bands (ev): -6.1103 -6.1103 -6.0565 -6.0565 -5.3241 -5.3241 -5.2122 -5.2122 -5.1677 -5.1677 -4.0453 -4.0453 -3.8437 -3.8437 2.7368 2.7368 3.4197 3.4197 3.4458 3.4458 3.6278 3.6278 4.5220 4.5220 4.7236 4.7236 5.2468 5.2468 5.2929 5.2929 6.3034 6.3034 7.1476 7.1476 8.3462 8.3462 8.9699 8.9699 10.9424 10.9424 12.7290 12.7290 13.8024 13.8024 k = 0.5392-0.7649-0.4667 ( 3197 PWs) bands (ev): -6.1102 -6.1102 -6.0565 -6.0565 -5.3241 -5.3241 -5.2121 -5.2121 -5.1676 -5.1676 -4.0451 -4.0451 -3.8439 -3.8439 2.7215 2.7215 3.4192 3.4192 3.4526 3.4526 3.6425 3.6425 4.5214 4.5214 4.7244 4.7244 5.2249 5.2249 5.3119 5.3119 6.2979 6.2979 7.1615 7.1615 8.3564 8.3564 8.9388 8.9388 10.9705 10.9705 12.6900 12.6900 13.8194 13.8194 k = 0.5588-0.7558-0.4612 ( 3191 PWs) bands (ev): -6.1102 -6.1102 -6.0564 -6.0564 -5.3241 -5.3241 -5.2121 -5.2121 -5.1676 -5.1676 -4.0447 -4.0447 -3.8442 -3.8442 2.6977 2.6977 3.4194 3.4194 3.4611 3.4611 3.6669 3.6669 4.5204 4.5204 4.7257 4.7257 5.2012 5.2012 5.3313 5.3313 6.2888 6.2888 7.1843 7.1843 8.3731 8.3731 8.8890 8.8890 11.0154 11.0154 12.6293 12.6293 13.8433 13.8433 k = 0.5785-0.7467-0.4556 ( 3189 PWs) bands (ev): -6.1102 -6.1102 -6.0564 -6.0564 -5.3241 -5.3241 -5.2121 -5.2121 -5.1676 -5.1676 -4.0443 -4.0443 -3.8445 -3.8445 2.6675 2.6675 3.4204 3.4204 3.4695 3.4695 3.7002 3.7002 4.5190 4.5190 4.7275 4.7275 5.1763 5.1763 5.3508 5.3508 6.2766 6.2766 7.2155 7.2155 8.3959 8.3959 8.8231 8.8231 11.0748 11.0748 12.5514 12.5514 13.8693 13.8693 k = 0.5981-0.7375-0.4500 ( 3188 PWs) bands (ev): -6.1102 -6.1102 -6.0564 -6.0564 -5.3242 -5.3242 -5.2121 -5.2121 -5.1676 -5.1676 -4.0439 -4.0439 -3.8449 -3.8449 2.6329 2.6329 3.4220 3.4220 3.4773 3.4773 3.7407 3.7407 4.5171 4.5171 4.7299 4.7299 5.1506 5.1506 5.3712 5.3712 6.2617 6.2617 7.2543 7.2543 8.4242 8.4242 8.7439 8.7439 11.1461 11.1461 12.4608 12.4608 13.8930 13.8930 k = 0.6177-0.7284-0.4445 ( 3185 PWs) bands (ev): -6.1102 -6.1102 -6.0564 -6.0564 -5.3242 -5.3242 -5.2120 -5.2120 -5.1676 -5.1676 -4.0436 -4.0436 -3.8452 -3.8452 2.5956 2.5956 3.4243 3.4243 3.4842 3.4842 3.7865 3.7865 4.5148 4.5148 4.7330 4.7330 5.1243 5.1243 5.3927 5.3927 6.2445 6.2445 7.2998 7.2998 8.4574 8.4574 8.6545 8.6545 11.2265 11.2265 12.3611 12.3611 13.9108 13.9108 k = 0.6373-0.7193-0.4389 ( 3180 PWs) bands (ev): -6.1102 -6.1102 -6.0564 -6.0564 -5.3242 -5.3242 -5.2120 -5.2120 -5.1676 -5.1676 -4.0435 -4.0435 -3.8453 -3.8453 2.5571 2.5571 3.4271 3.4271 3.4907 3.4907 3.8351 3.8351 4.5120 4.5120 4.7367 4.7367 5.0981 5.0981 5.4162 5.4162 6.2257 6.2257 7.3510 7.3510 8.4924 8.4924 8.5599 8.5599 11.3138 11.3138 12.2552 12.2552 13.9091 13.9091 k = 0.6569-0.7102-0.4333 ( 3174 PWs) bands (ev): -6.1102 -6.1102 -6.0563 -6.0563 -5.3242 -5.3242 -5.2120 -5.2120 -5.1676 -5.1676 -4.0436 -4.0436 -3.8452 -3.8452 2.5184 2.5184 3.4303 3.4303 3.4969 3.4969 3.8846 3.8846 4.5088 4.5088 4.7411 4.7411 5.0723 5.0723 5.4420 5.4420 6.2057 6.2057 7.4063 7.4063 8.4487 8.4487 8.5426 8.5426 11.4055 11.4055 12.1458 12.1458 13.8304 13.8304 k = 0.6765-0.7010-0.4278 ( 3178 PWs) bands (ev): -6.1103 -6.1103 -6.0563 -6.0563 -5.3243 -5.3243 -5.2120 -5.2120 -5.1676 -5.1676 -4.0442 -4.0442 -3.8448 -3.8448 2.4805 2.4805 3.4338 3.4338 3.5030 3.5030 3.9331 3.9331 4.5052 4.5052 4.7460 4.7460 5.0475 5.0475 5.4709 5.4709 6.1851 6.1851 7.4636 7.4636 8.3458 8.3458 8.5856 8.5856 11.4982 11.4982 12.0363 12.0363 13.7388 13.7388 k = 0.6961-0.6919-0.4222 ( 3178 PWs) bands (ev): -6.1103 -6.1103 -6.0563 -6.0563 -5.3243 -5.3243 -5.2119 -5.2119 -5.1676 -5.1676 -4.0453 -4.0453 -3.8438 -3.8438 2.4439 2.4439 3.4376 3.4376 3.5093 3.5093 3.9788 3.9788 4.5013 4.5013 4.7514 4.7514 5.0244 5.0244 5.5034 5.5034 6.1646 6.1646 7.5196 7.5196 8.2436 8.2436 8.6326 8.6326 11.5848 11.5848 11.9340 11.9340 13.6453 13.6453 k = 0.7158-0.6828-0.4166 ( 3186 PWs) bands (ev): -6.1103 -6.1103 -6.0564 -6.0564 -5.3243 -5.3243 -5.2119 -5.2119 -5.1676 -5.1676 -4.0470 -4.0470 -3.8424 -3.8424 2.4092 2.4092 3.4416 3.4416 3.5159 3.5159 4.0205 4.0205 4.4972 4.4972 4.7569 4.7569 5.0035 5.0035 5.5398 5.5398 6.1448 6.1448 7.5676 7.5676 8.1504 8.1504 8.6813 8.6813 11.6374 11.6374 11.8664 11.8664 13.5521 13.5521 k = 0.7354-0.6737-0.4111 ( 3187 PWs) bands (ev): -6.1103 -6.1103 -6.0564 -6.0564 -5.3243 -5.3243 -5.2119 -5.2119 -5.1677 -5.1677 -4.0495 -4.0495 -3.8403 -3.8403 2.3768 2.3768 3.4456 3.4456 3.5230 3.5230 4.0567 4.0567 4.4931 4.4931 4.7620 4.7620 4.9854 4.9854 5.5805 5.5805 6.1262 6.1262 7.5951 7.5951 8.0794 8.0794 8.7309 8.7309 11.5992 11.5992 11.8905 11.8905 13.4608 13.4608 k = 0.7550-0.6645-0.4055 ( 3186 PWs) bands (ev): -6.1103 -6.1103 -6.0564 -6.0564 -5.3242 -5.3242 -5.2119 -5.2119 -5.1676 -5.1676 -4.0527 -4.0527 -3.8376 -3.8376 2.3470 2.3470 3.4497 3.4497 3.5307 3.5307 4.0868 4.0868 4.4892 4.4892 4.7662 4.7662 4.9707 4.9707 5.6252 5.6252 6.1097 6.1097 7.5845 7.5845 8.0490 8.0490 8.7805 8.7805 11.5036 11.5036 11.9727 11.9727 13.3726 13.3726 k = 0.7746-0.6554-0.3999 ( 3180 PWs) bands (ev): -6.1103 -6.1103 -6.0563 -6.0563 -5.3241 -5.3241 -5.2118 -5.2118 -5.1676 -5.1676 -4.0567 -4.0567 -3.8342 -3.8342 2.3200 2.3200 3.4537 3.4537 3.5392 3.5392 4.1100 4.1100 4.4859 4.4859 4.7689 4.7689 4.9597 4.9597 5.6732 5.6732 6.0963 6.0963 7.5298 7.5298 8.0656 8.0656 8.8293 8.8293 11.3942 11.3942 12.0693 12.0693 13.2890 13.2890 k = 0.7942-0.6463-0.3944 ( 3185 PWs) bands (ev): -6.1103 -6.1103 -6.0563 -6.0563 -5.3240 -5.3240 -5.2118 -5.2118 -5.1677 -5.1677 -4.0615 -4.0615 -3.8301 -3.8301 2.2960 2.2960 3.4575 3.4575 3.5484 3.5484 4.1262 4.1262 4.4832 4.4832 4.7697 4.7697 4.9526 4.9526 5.7230 5.7230 6.0872 6.0872 7.4455 7.4455 8.1153 8.1153 8.8763 8.8763 11.2820 11.2820 12.1690 12.1690 13.2112 13.2112 k = 0.8138-0.6372-0.3888 ( 3185 PWs) bands (ev): -6.1102 -6.1102 -6.0563 -6.0563 -5.3238 -5.3238 -5.2118 -5.2118 -5.1677 -5.1677 -4.0671 -4.0671 -3.8255 -3.8255 2.2752 2.2752 3.4609 3.4609 3.5585 3.5585 4.1356 4.1356 4.4812 4.4812 4.7684 4.7684 4.9490 4.9490 5.7718 5.7718 6.0843 6.0843 7.3478 7.3478 8.1826 8.1826 8.9209 8.9209 11.1705 11.1705 12.2680 12.2680 13.1406 13.1406 Writing output data file InAgSe2.save init_run : 0.32s CPU 0.43s WALL ( 1 calls) electrons : 134.86s CPU 136.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 134.86s CPU 136.48s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 311 calls) cegterg : 121.46s CPU 122.69s WALL ( 371 calls) Called by sum_band: Called by *egterg: h_psi : 93.60s CPU 94.67s WALL ( 6221 calls) s_psi : 3.12s CPU 3.06s WALL ( 6221 calls) g_psi : 0.13s CPU 0.12s WALL ( 5539 calls) cdiaghg : 28.99s CPU 29.28s WALL ( 5850 calls) cegterg:over : 2.82s CPU 2.87s WALL ( 5539 calls) cegterg:upda : 2.20s CPU 2.12s WALL ( 5539 calls) cegterg:last : 1.29s CPU 1.37s WALL ( 993 calls) cdiaghg:chol : 1.54s CPU 1.58s WALL ( 5850 calls) cdiaghg:inve : 0.84s CPU 0.87s WALL ( 5850 calls) cdiaghg:para : 1.66s CPU 1.71s WALL ( 11700 calls) Called by h_psi: h_psi:vloc : 89.03s CPU 89.88s WALL ( 6221 calls) h_psi:vnl : 4.44s CPU 4.68s WALL ( 6221 calls) add_vuspsi : 2.31s CPU 2.37s WALL ( 6221 calls) General routines calbec : 2.11s CPU 2.30s WALL ( 6221 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 83.85s CPU 84.71s WALL ( 549280 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 622 calls) Parallel routines fft_scatter : 21.08s CPU 21.17s WALL ( 549303 calls) PWSCF : 2m27.48s CPU 2m44.91s WALL This run was terminated on: 18:27:40 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=