Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:26: 5 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: ./ScCl.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 49 15 2371 849 138 Max 99 50 16 2372 869 140 Sum 3541 1799 545 85379 30881 5009 bravais-lattice index = 14 lattice parameter (alat) = 17.2463 a.u. unit-cell volume = 627.6093 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.246265 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.927592 celldm(5)= 0.927592 celldm(6)= 0.927592 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.927592 0.373595 0.000000 ) a(3) = ( 0.927592 0.179781 0.327494 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.482881 -1.469396 ) b(2) = ( 0.000000 2.676695 -1.469396 ) b(3) = ( 0.000000 0.000000 3.053493 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Sc 11.00 44.95590 Sc( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0094340 -0.0234234 -0.0138622), wk = 0.0030030 k( 3) = ( 0.0188679 -0.0468468 -0.0277244), wk = 0.0030030 k( 4) = ( 0.0283019 -0.0702702 -0.0415867), wk = 0.0030030 k( 5) = ( 0.0377359 -0.0936936 -0.0554489), wk = 0.0030030 k( 6) = ( 0.0471698 -0.1171170 -0.0693111), wk = 0.0030030 k( 7) = ( 0.0566038 -0.1405404 -0.0831733), wk = 0.0030030 k( 8) = ( 0.0660377 -0.1639638 -0.0970356), wk = 0.0030030 k( 9) = ( 0.0754717 -0.1873872 -0.1108978), wk = 0.0030030 k( 10) = ( 0.0849057 -0.2108106 -0.1247600), wk = 0.0030030 k( 11) = ( 0.0943396 -0.2342340 -0.1386222), wk = 0.0030030 k( 12) = ( 0.1037736 -0.2576574 -0.1524845), wk = 0.0030030 k( 13) = ( 0.1132076 -0.2810808 -0.1663467), wk = 0.0030030 k( 14) = ( 0.1226415 -0.3045042 -0.1802089), wk = 0.0030030 k( 15) = ( 0.1320755 -0.3279276 -0.1940711), wk = 0.0030030 k( 16) = ( 0.1415094 -0.3513510 -0.2079334), wk = 0.0030030 k( 17) = ( 0.1509434 -0.3747744 -0.2217956), wk = 0.0030030 k( 18) = ( 0.1603774 -0.3981978 -0.2356578), wk = 0.0030030 k( 19) = ( 0.1698113 -0.4216212 -0.2495200), wk = 0.0030030 k( 20) = ( 0.1792453 -0.4450446 -0.2633823), wk = 0.0030030 k( 21) = ( 0.1886792 -0.4684681 -0.2772445), wk = 0.0030030 k( 22) = ( 0.1981132 -0.4918915 -0.2911067), wk = 0.0030030 k( 23) = ( 0.2075472 -0.5153149 -0.3049689), wk = 0.0030030 k( 24) = ( 0.2169811 -0.5387382 -0.3188312), wk = 0.0030030 k( 25) = ( 0.2264151 -0.5621616 -0.3326934), wk = 0.0030030 k( 26) = ( 0.2358491 -0.5855851 -0.3465556), wk = 0.0030030 k( 27) = ( 0.2452830 -0.6090085 -0.3604178), wk = 0.0030030 k( 28) = ( 0.2547170 -0.6324319 -0.3742801), wk = 0.0030030 k( 29) = ( 0.2641509 -0.6558553 -0.3881423), wk = 0.0030030 k( 30) = ( 0.2735849 -0.6792787 -0.4020045), wk = 0.0030030 k( 31) = ( 0.2830189 -0.7027021 -0.4158668), wk = 0.0030030 k( 32) = ( 0.2924528 -0.7261255 -0.4297290), wk = 0.0030030 k( 33) = ( 0.3018868 -0.7495489 -0.4435912), wk = 0.0030030 k( 34) = ( 0.3113207 -0.7729723 -0.4574534), wk = 0.0030030 k( 35) = ( 0.3207547 -0.7963957 -0.4713157), wk = 0.0030030 k( 36) = ( 0.3301887 -0.8198191 -0.4851779), wk = 0.0030030 k( 37) = ( 0.3396226 -0.8432425 -0.4990401), wk = 0.0030030 k( 38) = ( 0.3490566 -0.8666659 -0.5129023), wk = 0.0030030 k( 39) = ( 0.3584906 -0.8900893 -0.5267646), wk = 0.0030030 k( 40) = ( 0.3679245 -0.9135127 -0.5406268), wk = 0.0030030 k( 41) = ( 0.3773585 -0.9369361 -0.5544890), wk = 0.0030030 k( 42) = ( 0.3867925 -0.9603595 -0.5683512), wk = 0.0030030 k( 43) = ( 0.3962264 -0.9837829 -0.5822135), wk = 0.0030030 k( 44) = ( 0.4056604 -1.0072063 -0.5960757), wk = 0.0030030 k( 45) = ( 0.4150943 -1.0306297 -0.6099379), wk = 0.0030030 k( 46) = ( 0.4245283 -1.0540531 -0.6238001), wk = 0.0030030 k( 47) = ( 0.4339623 -1.0774765 -0.6376623), wk = 0.0030030 k( 48) = ( 0.4433962 -1.1008999 -0.6515246), wk = 0.0030030 k( 49) = ( 0.4528302 -1.1243233 -0.6653868), wk = 0.0030030 k( 50) = ( 0.4622641 -1.1477467 -0.6792490), wk = 0.0030030 k( 51) = ( 0.4716981 -1.1711701 -0.6931112), wk = 0.0030030 k( 52) = ( 0.4811321 -1.1945935 -0.7069735), wk = 0.0030030 k( 53) = ( 0.4905660 -1.2180169 -0.7208357), wk = 0.0030030 k( 54) = ( 0.5000000 -1.2414403 -0.7346979), wk = 0.0030030 k( 55) = ( 0.5000000 -1.2414403 -0.7346979), wk = 0.0030030 k( 56) = ( 0.5000000 -1.2267921 -0.7594494), wk = 0.0030030 k( 57) = ( 0.5000000 -1.2121439 -0.7842009), wk = 0.0030030 k( 58) = ( 0.5000000 -1.1974957 -0.8089525), wk = 0.0030030 k( 59) = ( 0.5000000 -1.1828474 -0.8337040), wk = 0.0030030 k( 60) = ( 0.5000000 -1.1681992 -0.8584555), wk = 0.0030030 k( 61) = ( 0.5000000 -1.1535510 -0.8832070), wk = 0.0030030 k( 62) = ( 0.5000000 -1.1389028 -0.9079586), wk = 0.0030030 k( 63) = ( 0.5000000 -1.1242546 -0.9327101), wk = 0.0030030 k( 64) = ( 0.5000000 -1.1096063 -0.9574616), wk = 0.0030030 k( 65) = ( 0.5000000 -1.0949581 -0.9822131), wk = 0.0030030 k( 66) = ( 0.5000000 -1.0803099 -1.0069647), wk = 0.0030030 k( 67) = ( 0.5000000 -1.0656617 -1.0317162), wk = 0.0030030 k( 68) = ( 0.5000000 -1.0510135 -1.0564677), wk = 0.0030030 k( 69) = ( 0.5000000 -1.0363652 -1.0812192), wk = 0.0030030 k( 70) = ( 0.5000000 -1.0217170 -1.1059707), wk = 0.0030030 k( 71) = ( 0.5000000 -1.0070688 -1.1307223), wk = 0.0030030 k( 72) = ( 0.5000000 -0.9924206 -1.1554738), wk = 0.0030030 k( 73) = ( 0.5000000 -0.9777724 -1.1802253), wk = 0.0030030 k( 74) = ( 0.5000000 -0.9631242 -1.2049768), wk = 0.0030030 k( 75) = ( 0.5000000 -0.9484759 -1.2297283), wk = 0.0030030 k( 76) = ( 0.5000000 -0.9338277 -1.2544799), wk = 0.0030030 k( 77) = ( 0.5000000 -0.9191795 -1.2792314), wk = 0.0030030 k( 78) = ( 0.5000000 -0.9045313 -1.3039829), wk = 0.0030030 k( 79) = ( 0.5000000 -0.8898830 -1.3287344), wk = 0.0030030 k( 80) = ( 0.5000000 -0.8752348 -1.3534859), wk = 0.0030030 k( 81) = ( 0.5000000 -0.8605866 -1.3782375), wk = 0.0030030 k( 82) = ( 0.5000000 -0.8459384 -1.4029890), wk = 0.0030030 k( 83) = ( 0.5000000 -0.8312902 -1.4277405), wk = 0.0030030 k( 84) = ( 0.5000000 -0.8166419 -1.4524920), wk = 0.0030030 k( 85) = ( 0.5000000 -0.8019937 -1.4772435), wk = 0.0030030 k( 86) = ( 0.5000000 -0.7873455 -1.5019950), wk = 0.0030030 k( 87) = ( 0.5000000 -0.7726973 -1.5267466), wk = 0.0030030 k( 88) = ( 0.8248799 -0.7097309 -1.4120451), wk = 0.0030030 k( 89) = ( 0.8193735 -0.6960591 -1.3871401), wk = 0.0030030 k( 90) = ( 0.8138671 -0.6823872 -1.3622351), wk = 0.0030030 k( 91) = ( 0.8083606 -0.6687154 -1.3373301), wk = 0.0030030 k( 92) = ( 0.8028542 -0.6550436 -1.3124251), wk = 0.0030030 k( 93) = ( 0.7973477 -0.6413717 -1.2875200), wk = 0.0030030 k( 94) = ( 0.7918413 -0.6276999 -1.2626150), wk = 0.0030030 k( 95) = ( 0.7863349 -0.6140281 -1.2377100), wk = 0.0030030 k( 96) = ( 0.7808284 -0.6003562 -1.2128050), wk = 0.0030030 k( 97) = ( 0.7753220 -0.5866844 -1.1879000), wk = 0.0030030 k( 98) = ( 0.7698155 -0.5730126 -1.1629950), wk = 0.0030030 k( 99) = ( 0.7643091 -0.5593407 -1.1380899), wk = 0.0030030 k( 100) = ( 0.7588027 -0.5456689 -1.1131849), wk = 0.0030030 k( 101) = ( 0.7532962 -0.5319971 -1.0882799), wk = 0.0030030 k( 102) = ( 0.7477898 -0.5183252 -1.0633749), wk = 0.0030030 k( 103) = ( 0.7422833 -0.5046534 -1.0384699), wk = 0.0030030 k( 104) = ( 0.7367769 -0.4909816 -1.0135649), wk = 0.0030030 k( 105) = ( 0.7312705 -0.4773098 -0.9886599), wk = 0.0030030 k( 106) = ( 0.7257640 -0.4636379 -0.9637549), wk = 0.0030030 k( 107) = ( 0.7202576 -0.4499661 -0.9388498), wk = 0.0030030 k( 108) = ( 0.7147511 -0.4362943 -0.9139448), wk = 0.0030030 k( 109) = ( 0.7092447 -0.4226224 -0.8890398), wk = 0.0030030 k( 110) = ( 0.7037383 -0.4089506 -0.8641348), wk = 0.0030030 k( 111) = ( 0.6982318 -0.3952788 -0.8392298), wk = 0.0030030 k( 112) = ( 0.6927254 -0.3816069 -0.8143248), wk = 0.0030030 k( 113) = ( 0.6872189 -0.3679351 -0.7894197), wk = 0.0030030 k( 114) = ( 0.6817125 -0.3542633 -0.7645147), wk = 0.0030030 k( 115) = ( 0.6762061 -0.3405914 -0.7396097), wk = 0.0030030 k( 116) = ( 0.6706996 -0.3269196 -0.7147047), wk = 0.0030030 k( 117) = ( 0.6651932 -0.3132478 -0.6897997), wk = 0.0030030 k( 118) = ( 0.6596867 -0.2995759 -0.6648947), wk = 0.0030030 k( 119) = ( 0.6541803 -0.2859041 -0.6399896), wk = 0.0030030 k( 120) = ( 0.6486739 -0.2722323 -0.6150846), wk = 0.0030030 k( 121) = ( 0.6431674 -0.2585604 -0.5901797), wk = 0.0030030 k( 122) = ( 0.6376610 -0.2448886 -0.5652746), wk = 0.0030030 k( 123) = ( 0.6321545 -0.2312168 -0.5403696), wk = 0.0030030 k( 124) = ( 0.6266481 -0.2175449 -0.5154646), wk = 0.0030030 k( 125) = ( 0.6211417 -0.2038731 -0.4905596), wk = 0.0030030 k( 126) = ( 0.6156352 -0.1902013 -0.4656546), wk = 0.0030030 k( 127) = ( 0.6101288 -0.1765294 -0.4407496), wk = 0.0030030 k( 128) = ( 0.6046223 -0.1628576 -0.4158445), wk = 0.0030030 k( 129) = ( 0.5991159 -0.1491858 -0.3909395), wk = 0.0030030 k( 130) = ( 0.5936095 -0.1355139 -0.3660345), wk = 0.0030030 k( 131) = ( 0.5881030 -0.1218421 -0.3411295), wk = 0.0030030 k( 132) = ( 0.5825966 -0.1081703 -0.3162245), wk = 0.0030030 k( 133) = ( 0.5770901 -0.0944984 -0.2913195), wk = 0.0030030 k( 134) = ( 0.5715837 -0.0808266 -0.2664144), wk = 0.0030030 k( 135) = ( 0.5660773 -0.0671548 -0.2415094), wk = 0.0030030 k( 136) = ( 0.5605708 -0.0534829 -0.2166044), wk = 0.0030030 k( 137) = ( 0.5550644 -0.0398111 -0.1916994), wk = 0.0030030 k( 138) = ( 0.5495579 -0.0261393 -0.1667944), wk = 0.0030030 k( 139) = ( 0.5440515 -0.0124675 -0.1418894), wk = 0.0030030 k( 140) = ( 0.5385451 0.0012044 -0.1169844), wk = 0.0030030 k( 141) = ( 0.5330386 0.0148762 -0.0920794), wk = 0.0030030 k( 142) = ( 0.5275322 0.0285480 -0.0671743), wk = 0.0030030 k( 143) = ( 0.5220258 0.0422199 -0.0422693), wk = 0.0030030 k( 144) = ( 0.5165193 0.0558917 -0.0173643), wk = 0.0030030 k( 145) = ( 0.5110129 0.0695635 0.0075407), wk = 0.0030030 k( 146) = ( 0.5055064 0.0832354 0.0324457), wk = 0.0030030 k( 147) = ( 0.5000000 0.0969072 0.0573507), wk = 0.0030030 k( 148) = ( 0.5000000 0.0969072 0.0573507), wk = 0.0030030 k( 149) = ( 0.4722222 0.0915235 0.0541646), wk = 0.0030030 k( 150) = ( 0.4444444 0.0861397 0.0509784), wk = 0.0030030 k( 151) = ( 0.4166667 0.0807560 0.0477923), wk = 0.0030030 k( 152) = ( 0.3888889 0.0753723 0.0446061), wk = 0.0030030 k( 153) = ( 0.3611111 0.0699885 0.0414200), wk = 0.0030030 k( 154) = ( 0.3333333 0.0646048 0.0382338), wk = 0.0030030 k( 155) = ( 0.3055556 0.0592211 0.0350477), wk = 0.0030030 k( 156) = ( 0.2777778 0.0538373 0.0318615), wk = 0.0030030 k( 157) = ( 0.2500000 0.0484536 0.0286754), wk = 0.0030030 k( 158) = ( 0.2222222 0.0430699 0.0254892), wk = 0.0030030 k( 159) = ( 0.1944444 0.0376861 0.0223031), wk = 0.0030030 k( 160) = ( 0.1666667 0.0323024 0.0191169), wk = 0.0030030 k( 161) = ( 0.1388889 0.0269187 0.0159308), wk = 0.0030030 k( 162) = ( 0.1111111 0.0215349 0.0127446), wk = 0.0030030 k( 163) = ( 0.0833333 0.0161512 0.0095585), wk = 0.0030030 k( 164) = ( 0.0555556 0.0107675 0.0063723), wk = 0.0030030 k( 165) = ( 0.0277778 0.0053837 0.0031862), wk = 0.0030030 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 168) = ( 0.0054445 -0.0135181 -0.0246250), wk = 0.0030030 k( 169) = ( 0.0108890 -0.0270362 -0.0492499), wk = 0.0030030 k( 170) = ( 0.0163335 -0.0405543 -0.0738748), wk = 0.0030030 k( 171) = ( 0.0217781 -0.0540723 -0.0984998), wk = 0.0030030 k( 172) = ( 0.0272226 -0.0675904 -0.1231247), wk = 0.0030030 k( 173) = ( 0.0326671 -0.0811085 -0.1477497), wk = 0.0030030 k( 174) = ( 0.0381116 -0.0946266 -0.1723746), wk = 0.0030030 k( 175) = ( 0.0435561 -0.1081447 -0.1969995), wk = 0.0030030 k( 176) = ( 0.0490006 -0.1216628 -0.2216245), wk = 0.0030030 k( 177) = ( 0.0544452 -0.1351809 -0.2462495), wk = 0.0030030 k( 178) = ( 0.0598897 -0.1486989 -0.2708744), wk = 0.0030030 k( 179) = ( 0.0653342 -0.1622170 -0.2954993), wk = 0.0030030 k( 180) = ( 0.0707787 -0.1757351 -0.3201243), wk = 0.0030030 k( 181) = ( 0.0762232 -0.1892532 -0.3447492), wk = 0.0030030 k( 182) = ( 0.0816677 -0.2027713 -0.3693742), wk = 0.0030030 k( 183) = ( 0.0871123 -0.2162894 -0.3939991), wk = 0.0030030 k( 184) = ( 0.0925568 -0.2298074 -0.4186240), wk = 0.0030030 k( 185) = ( 0.0980013 -0.2433255 -0.4432490), wk = 0.0030030 k( 186) = ( 0.1034458 -0.2568436 -0.4678740), wk = 0.0030030 k( 187) = ( 0.1088903 -0.2703617 -0.4924989), wk = 0.0030030 k( 188) = ( 0.1143349 -0.2838798 -0.5171238), wk = 0.0030030 k( 189) = ( 0.1197794 -0.2973979 -0.5417488), wk = 0.0030030 k( 190) = ( 0.1252239 -0.3109159 -0.5663737), wk = 0.0030030 k( 191) = ( 0.1306684 -0.3244340 -0.5909987), wk = 0.0030030 k( 192) = ( 0.1361129 -0.3379521 -0.6156236), wk = 0.0030030 k( 193) = ( 0.1415574 -0.3514702 -0.6402485), wk = 0.0030030 k( 194) = ( 0.1470019 -0.3649883 -0.6648735), wk = 0.0030030 k( 195) = ( 0.1524465 -0.3785064 -0.6894985), wk = 0.0030030 k( 196) = ( 0.1578910 -0.3920245 -0.7141234), wk = 0.0030030 k( 197) = ( 0.1633355 -0.4055426 -0.7387483), wk = 0.0030030 k( 198) = ( 0.1687800 -0.4190606 -0.7633733), wk = 0.0030030 k( 199) = ( 0.1742245 -0.4325787 -0.7879983), wk = 0.0030030 k( 200) = ( 0.1796690 -0.4460968 -0.8126232), wk = 0.0030030 k( 201) = ( 0.1851136 -0.4596149 -0.8372481), wk = 0.0030030 k( 202) = ( 0.1905581 -0.4731330 -0.8618731), wk = 0.0030030 k( 203) = ( 0.1960026 -0.4866511 -0.8864980), wk = 0.0030030 k( 204) = ( 0.2014471 -0.5001692 -0.9111230), wk = 0.0030030 k( 205) = ( 0.2068916 -0.5136872 -0.9357479), wk = 0.0030030 k( 206) = ( 0.2123362 -0.5272053 -0.9603728), wk = 0.0030030 k( 207) = ( 0.2177807 -0.5407234 -0.9849978), wk = 0.0030030 k( 208) = ( 0.2232252 -0.5542415 -1.0096228), wk = 0.0030030 k( 209) = ( 0.2286697 -0.5677596 -1.0342477), wk = 0.0030030 k( 210) = ( 0.2341142 -0.5812777 -1.0588726), wk = 0.0030030 k( 211) = ( 0.2395587 -0.5947958 -1.0834976), wk = 0.0030030 k( 212) = ( 0.2450033 -0.6083138 -1.1081225), wk = 0.0030030 k( 213) = ( 0.2504478 -0.6218319 -1.1327475), wk = 0.0030030 k( 214) = ( 0.2558923 -0.6353500 -1.1573724), wk = 0.0030030 k( 215) = ( 0.2613368 -0.6488681 -1.1819973), wk = 0.0030030 k( 216) = ( 0.2667813 -0.6623862 -1.2066223), wk = 0.0030030 k( 217) = ( 0.2722258 -0.6759043 -1.2312473), wk = 0.0030030 k( 218) = ( 0.2776704 -0.6894223 -1.2558722), wk = 0.0030030 k( 219) = ( 0.2831149 -0.7029404 -1.2804971), wk = 0.0030030 k( 220) = ( 0.2885594 -0.7164585 -1.3051221), wk = 0.0030030 k( 221) = ( 0.2940039 -0.7299766 -1.3297470), wk = 0.0030030 k( 222) = ( 0.2994484 -0.7434947 -1.3543720), wk = 0.0030030 k( 223) = ( 0.3048929 -0.7570128 -1.3789969), wk = 0.0030030 k( 224) = ( 0.3103375 -0.7705308 -1.4036218), wk = 0.0030030 k( 225) = ( 0.3157820 -0.7840489 -1.4282468), wk = 0.0030030 k( 226) = ( 0.3212265 -0.7975670 -1.4528718), wk = 0.0030030 k( 227) = ( 0.3266710 -0.8110851 -1.4774967), wk = 0.0030030 k( 228) = ( 0.3321155 -0.8246032 -1.5021216), wk = 0.0030030 k( 229) = ( 0.3375600 -0.8381213 -1.5267466), wk = 0.0030030 k( 230) = ( 0.6624400 -0.7412141 -1.4693958), wk = 0.0030030 k( 231) = ( 0.6570253 -0.7132767 -1.4693958), wk = 0.0030030 k( 232) = ( 0.6516106 -0.6853393 -1.4693958), wk = 0.0030030 k( 233) = ( 0.6461960 -0.6574020 -1.4693958), wk = 0.0030030 k( 234) = ( 0.6407813 -0.6294646 -1.4693958), wk = 0.0030030 k( 235) = ( 0.6353666 -0.6015272 -1.4693958), wk = 0.0030030 k( 236) = ( 0.6299520 -0.5735898 -1.4693958), wk = 0.0030030 k( 237) = ( 0.6245373 -0.5456524 -1.4693958), wk = 0.0030030 k( 238) = ( 0.6191226 -0.5177151 -1.4693958), wk = 0.0030030 k( 239) = ( 0.6137080 -0.4897777 -1.4693958), wk = 0.0030030 k( 240) = ( 0.6082933 -0.4618403 -1.4693958), wk = 0.0030030 k( 241) = ( 0.6028786 -0.4339029 -1.4693958), wk = 0.0030030 k( 242) = ( 0.5974640 -0.4059656 -1.4693958), wk = 0.0030030 k( 243) = ( 0.5920493 -0.3780282 -1.4693958), wk = 0.0030030 k( 244) = ( 0.5866347 -0.3500908 -1.4693958), wk = 0.0030030 k( 245) = ( 0.5812200 -0.3221534 -1.4693958), wk = 0.0030030 k( 246) = ( 0.5758053 -0.2942161 -1.4693958), wk = 0.0030030 k( 247) = ( 0.5703906 -0.2662787 -1.4693958), wk = 0.0030030 k( 248) = ( 0.5649760 -0.2383413 -1.4693958), wk = 0.0030030 k( 249) = ( 0.5595613 -0.2104039 -1.4693958), wk = 0.0030030 k( 250) = ( 0.5541466 -0.1824665 -1.4693958), wk = 0.0030030 k( 251) = ( 0.5487320 -0.1545292 -1.4693958), wk = 0.0030030 k( 252) = ( 0.5433173 -0.1265918 -1.4693958), wk = 0.0030030 k( 253) = ( 0.5379027 -0.0986544 -1.4693958), wk = 0.0030030 k( 254) = ( 0.5324880 -0.0707170 -1.4693958), wk = 0.0030030 k( 255) = ( 0.5270733 -0.0427797 -1.4693958), wk = 0.0030030 k( 256) = ( 0.5216587 -0.0148423 -1.4693958), wk = 0.0030030 k( 257) = ( 0.5162440 0.0130950 -1.4693958), wk = 0.0030030 k( 258) = ( 0.5108293 0.0410324 -1.4693958), wk = 0.0030030 k( 259) = ( 0.5054147 0.0689698 -1.4693958), wk = 0.0030030 k( 260) = ( 0.5000000 0.0969072 -1.4693958), wk = 0.0030030 k( 261) = ( 0.5000000 0.0969072 -1.4693958), wk = 0.0030030 k( 262) = ( 0.5232057 0.1014048 -1.4612029), wk = 0.0030030 k( 263) = ( 0.5464114 0.1059024 -1.4530099), wk = 0.0030030 k( 264) = ( 0.5696171 0.1104000 -1.4448170), wk = 0.0030030 k( 265) = ( 0.5928228 0.1148976 -1.4366240), wk = 0.0030030 k( 266) = ( 0.6160286 0.1193952 -1.4284310), wk = 0.0030030 k( 267) = ( 0.6392343 0.1238928 -1.4202381), wk = 0.0030030 k( 268) = ( 0.6624400 0.1283904 -1.4120451), wk = 0.0030030 k( 269) = ( 0.6624400 0.1283904 -1.4120451), wk = 0.0030030 k( 270) = ( 0.6592549 0.1277731 -1.3832334), wk = 0.0030030 k( 271) = ( 0.6560698 0.1271558 -1.3544218), wk = 0.0030030 k( 272) = ( 0.6528847 0.1265384 -1.3256100), wk = 0.0030030 k( 273) = ( 0.6496996 0.1259211 -1.2967984), wk = 0.0030030 k( 274) = ( 0.6465145 0.1253038 -1.2679867), wk = 0.0030030 k( 275) = ( 0.6433294 0.1246865 -1.2391750), wk = 0.0030030 k( 276) = ( 0.6401443 0.1240692 -1.2103633), wk = 0.0030030 k( 277) = ( 0.6369592 0.1234519 -1.1815516), wk = 0.0030030 k( 278) = ( 0.6337741 0.1228345 -1.1527400), wk = 0.0030030 k( 279) = ( 0.6305890 0.1222172 -1.1239283), wk = 0.0030030 k( 280) = ( 0.6274039 0.1215999 -1.0951166), wk = 0.0030030 k( 281) = ( 0.6242188 0.1209826 -1.0663049), wk = 0.0030030 k( 282) = ( 0.6210337 0.1203653 -1.0374932), wk = 0.0030030 k( 283) = ( 0.6178486 0.1197479 -1.0086815), wk = 0.0030030 k( 284) = ( 0.6146635 0.1191306 -0.9798699), wk = 0.0030030 k( 285) = ( 0.6114784 0.1185133 -0.9510582), wk = 0.0030030 k( 286) = ( 0.6082933 0.1178960 -0.9222465), wk = 0.0030030 k( 287) = ( 0.6051082 0.1172787 -0.8934348), wk = 0.0030030 k( 288) = ( 0.6019231 0.1166614 -0.8646231), wk = 0.0030030 k( 289) = ( 0.5987380 0.1160440 -0.8358114), wk = 0.0030030 k( 290) = ( 0.5955529 0.1154267 -0.8069998), wk = 0.0030030 k( 291) = ( 0.5923678 0.1148094 -0.7781881), wk = 0.0030030 k( 292) = ( 0.5891827 0.1141921 -0.7493764), wk = 0.0030030 k( 293) = ( 0.5859976 0.1135748 -0.7205647), wk = 0.0030030 k( 294) = ( 0.5828125 0.1129575 -0.6917530), wk = 0.0030030 k( 295) = ( 0.5796274 0.1123401 -0.6629413), wk = 0.0030030 k( 296) = ( 0.5764423 0.1117228 -0.6341297), wk = 0.0030030 k( 297) = ( 0.5732572 0.1111055 -0.6053180), wk = 0.0030030 k( 298) = ( 0.5700721 0.1104882 -0.5765063), wk = 0.0030030 k( 299) = ( 0.5668870 0.1098709 -0.5476946), wk = 0.0030030 k( 300) = ( 0.5637020 0.1092535 -0.5188829), wk = 0.0030030 k( 301) = ( 0.5605168 0.1086362 -0.4900713), wk = 0.0030030 k( 302) = ( 0.5573318 0.1080189 -0.4612595), wk = 0.0030030 k( 303) = ( 0.5541466 0.1074016 -0.4324479), wk = 0.0030030 k( 304) = ( 0.5509616 0.1067843 -0.4036362), wk = 0.0030030 k( 305) = ( 0.5477765 0.1061670 -0.3748245), wk = 0.0030030 k( 306) = ( 0.5445914 0.1055496 -0.3460128), wk = 0.0030030 k( 307) = ( 0.5414063 0.1049323 -0.3172012), wk = 0.0030030 k( 308) = ( 0.5382212 0.1043150 -0.2883895), wk = 0.0030030 k( 309) = ( 0.5350361 0.1036977 -0.2595778), wk = 0.0030030 k( 310) = ( 0.5318510 0.1030804 -0.2307661), wk = 0.0030030 k( 311) = ( 0.5286659 0.1024631 -0.2019544), wk = 0.0030030 k( 312) = ( 0.5254808 0.1018457 -0.1731427), wk = 0.0030030 k( 313) = ( 0.5222957 0.1012284 -0.1443310), wk = 0.0030030 k( 314) = ( 0.5191106 0.1006111 -0.1155194), wk = 0.0030030 k( 315) = ( 0.5159255 0.0999938 -0.0867077), wk = 0.0030030 k( 316) = ( 0.5127404 0.0993765 -0.0578960), wk = 0.0030030 k( 317) = ( 0.5095553 0.0987591 -0.0290843), wk = 0.0030030 k( 318) = ( 0.5063702 0.0981418 -0.0002726), wk = 0.0030030 k( 319) = ( 0.5031851 0.0975245 0.0285391), wk = 0.0030030 k( 320) = ( 0.5000000 0.0969072 0.0573507), wk = 0.0030030 k( 321) = ( 0.5000000 -1.2414403 -0.7346979), wk = 0.0030030 k( 322) = ( 0.5270733 -1.2333647 -0.7299187), wk = 0.0030030 k( 323) = ( 0.5541466 -1.2252891 -0.7251395), wk = 0.0030030 k( 324) = ( 0.5812200 -1.2172135 -0.7203602), wk = 0.0030030 k( 325) = ( 0.6082933 -1.2091379 -0.7155810), wk = 0.0030030 k( 326) = ( 0.6353666 -1.2010623 -0.7108018), wk = 0.0030030 k( 327) = ( 0.6624400 -1.1929867 -0.7060225), wk = 0.0030030 k( 328) = ( 0.6895133 -1.1849111 -0.7012433), wk = 0.0030030 k( 329) = ( 0.7165866 -1.1768355 -0.6964641), wk = 0.0030030 k( 330) = ( 0.7436599 -1.1687599 -0.6916849), wk = 0.0030030 k( 331) = ( 0.7707333 -1.1606843 -0.6869056), wk = 0.0030030 k( 332) = ( 0.7978066 -1.1526087 -0.6821264), wk = 0.0030030 k( 333) = ( 0.8248799 -1.1445331 -0.6773472), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0094340 0.0000000 -0.0000000), wk = 0.0030030 k( 3) = ( 0.0188679 0.0000000 -0.0000000), wk = 0.0030030 k( 4) = ( 0.0283019 0.0000000 -0.0000000), wk = 0.0030030 k( 5) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0030030 k( 6) = ( 0.0471698 -0.0000000 -0.0000000), wk = 0.0030030 k( 7) = ( 0.0566038 -0.0000000 -0.0000000), wk = 0.0030030 k( 8) = ( 0.0660377 -0.0000000 -0.0000000), wk = 0.0030030 k( 9) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0030030 k( 10) = ( 0.0849057 -0.0000000 -0.0000000), wk = 0.0030030 k( 11) = ( 0.0943396 -0.0000000 -0.0000000), wk = 0.0030030 k( 12) = ( 0.1037736 -0.0000000 -0.0000000), wk = 0.0030030 k( 13) = ( 0.1132076 0.0000000 -0.0000000), wk = 0.0030030 k( 14) = ( 0.1226415 0.0000000 -0.0000000), wk = 0.0030030 k( 15) = ( 0.1320755 -0.0000000 -0.0000000), wk = 0.0030030 k( 16) = ( 0.1415094 -0.0000000 -0.0000000), wk = 0.0030030 k( 17) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0030030 k( 18) = ( 0.1603774 0.0000000 -0.0000000), wk = 0.0030030 k( 19) = ( 0.1698113 -0.0000000 -0.0000000), wk = 0.0030030 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0030030 k( 21) = ( 0.1886792 -0.0000000 0.0000000), wk = 0.0030030 k( 22) = ( 0.1981132 -0.0000000 -0.0000000), wk = 0.0030030 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0030030 k( 24) = ( 0.2169811 -0.0000000 -0.0000000), wk = 0.0030030 k( 25) = ( 0.2264151 0.0000000 -0.0000000), wk = 0.0030030 k( 26) = ( 0.2358491 0.0000000 -0.0000000), wk = 0.0030030 k( 27) = ( 0.2452830 0.0000000 -0.0000000), wk = 0.0030030 k( 28) = ( 0.2547170 -0.0000000 -0.0000000), wk = 0.0030030 k( 29) = ( 0.2641509 -0.0000000 -0.0000000), wk = 0.0030030 k( 30) = ( 0.2735849 -0.0000000 -0.0000000), wk = 0.0030030 k( 31) = ( 0.2830189 0.0000000 -0.0000000), wk = 0.0030030 k( 32) = ( 0.2924528 0.0000000 -0.0000000), wk = 0.0030030 k( 33) = ( 0.3018868 -0.0000000 -0.0000000), wk = 0.0030030 k( 34) = ( 0.3113207 -0.0000000 -0.0000000), wk = 0.0030030 k( 35) = ( 0.3207547 0.0000000 -0.0000000), wk = 0.0030030 k( 36) = ( 0.3301887 -0.0000000 -0.0000000), wk = 0.0030030 k( 37) = ( 0.3396226 -0.0000000 -0.0000000), wk = 0.0030030 k( 38) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0030030 k( 39) = ( 0.3584906 0.0000000 -0.0000000), wk = 0.0030030 k( 40) = ( 0.3679245 -0.0000000 -0.0000000), wk = 0.0030030 k( 41) = ( 0.3773585 0.0000000 -0.0000000), wk = 0.0030030 k( 42) = ( 0.3867925 -0.0000000 -0.0000000), wk = 0.0030030 k( 43) = ( 0.3962264 -0.0000000 -0.0000000), wk = 0.0030030 k( 44) = ( 0.4056604 0.0000000 -0.0000000), wk = 0.0030030 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0030030 k( 46) = ( 0.4245283 -0.0000000 -0.0000000), wk = 0.0030030 k( 47) = ( 0.4339623 -0.0000000 -0.0000000), wk = 0.0030030 k( 48) = ( 0.4433962 -0.0000000 -0.0000000), wk = 0.0030030 k( 49) = ( 0.4528302 0.0000000 -0.0000000), wk = 0.0030030 k( 50) = ( 0.4622641 -0.0000000 0.0000000), wk = 0.0030030 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0030030 k( 52) = ( 0.4811321 -0.0000000 -0.0000000), wk = 0.0030030 k( 53) = ( 0.4905660 0.0000000 -0.0000000), wk = 0.0030030 k( 54) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030030 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030030 k( 56) = ( 0.5000000 0.0054725 -0.0054725), wk = 0.0030030 k( 57) = ( 0.5000000 0.0109450 -0.0109450), wk = 0.0030030 k( 58) = ( 0.5000000 0.0164175 -0.0164175), wk = 0.0030030 k( 59) = ( 0.5000000 0.0218900 -0.0218900), wk = 0.0030030 k( 60) = ( 0.5000000 0.0273625 -0.0273625), wk = 0.0030030 k( 61) = ( 0.5000000 0.0328350 -0.0328350), wk = 0.0030030 k( 62) = ( 0.5000000 0.0383075 -0.0383075), wk = 0.0030030 k( 63) = ( 0.5000000 0.0437800 -0.0437800), wk = 0.0030030 k( 64) = ( 0.5000000 0.0492525 -0.0492525), wk = 0.0030030 k( 65) = ( 0.5000000 0.0547250 -0.0547250), wk = 0.0030030 k( 66) = ( 0.5000000 0.0601975 -0.0601975), wk = 0.0030030 k( 67) = ( 0.5000000 0.0656700 -0.0656700), wk = 0.0030030 k( 68) = ( 0.5000000 0.0711425 -0.0711425), wk = 0.0030030 k( 69) = ( 0.5000000 0.0766150 -0.0766150), wk = 0.0030030 k( 70) = ( 0.5000000 0.0820875 -0.0820875), wk = 0.0030030 k( 71) = ( 0.5000000 0.0875600 -0.0875600), wk = 0.0030030 k( 72) = ( 0.5000000 0.0930325 -0.0930325), wk = 0.0030030 k( 73) = ( 0.5000000 0.0985050 -0.0985050), wk = 0.0030030 k( 74) = ( 0.5000000 0.1039775 -0.1039775), wk = 0.0030030 k( 75) = ( 0.5000000 0.1094501 -0.1094501), wk = 0.0030030 k( 76) = ( 0.5000000 0.1149226 -0.1149225), wk = 0.0030030 k( 77) = ( 0.5000000 0.1203950 -0.1203951), wk = 0.0030030 k( 78) = ( 0.5000000 0.1258676 -0.1258675), wk = 0.0030030 k( 79) = ( 0.5000000 0.1313401 -0.1313401), wk = 0.0030030 k( 80) = ( 0.5000000 0.1368126 -0.1368126), wk = 0.0030030 k( 81) = ( 0.5000000 0.1422851 -0.1422851), wk = 0.0030030 k( 82) = ( 0.5000000 0.1477576 -0.1477576), wk = 0.0030030 k( 83) = ( 0.5000000 0.1532301 -0.1532301), wk = 0.0030030 k( 84) = ( 0.5000000 0.1587026 -0.1587026), wk = 0.0030030 k( 85) = ( 0.5000000 0.1641751 -0.1641751), wk = 0.0030030 k( 86) = ( 0.5000000 0.1696476 -0.1696476), wk = 0.0030030 k( 87) = ( 0.5000000 0.1751201 -0.1751201), wk = 0.0030030 k( 88) = ( 0.8248799 0.5000000 0.1751201), wk = 0.0030030 k( 89) = ( 0.8193735 0.5000000 0.1806265), wk = 0.0030030 k( 90) = ( 0.8138671 0.5000000 0.1861329), wk = 0.0030030 k( 91) = ( 0.8083606 0.5000000 0.1916394), wk = 0.0030030 k( 92) = ( 0.8028542 0.5000000 0.1971458), wk = 0.0030030 k( 93) = ( 0.7973477 0.5000000 0.2026523), wk = 0.0030030 k( 94) = ( 0.7918413 0.5000000 0.2081587), wk = 0.0030030 k( 95) = ( 0.7863349 0.5000000 0.2136651), wk = 0.0030030 k( 96) = ( 0.7808284 0.5000000 0.2191716), wk = 0.0030030 k( 97) = ( 0.7753220 0.5000000 0.2246780), wk = 0.0030030 k( 98) = ( 0.7698155 0.5000000 0.2301845), wk = 0.0030030 k( 99) = ( 0.7643091 0.5000000 0.2356909), wk = 0.0030030 k( 100) = ( 0.7588027 0.5000000 0.2411974), wk = 0.0030030 k( 101) = ( 0.7532962 0.5000000 0.2467038), wk = 0.0030030 k( 102) = ( 0.7477898 0.5000000 0.2522102), wk = 0.0030030 k( 103) = ( 0.7422833 0.5000000 0.2577167), wk = 0.0030030 k( 104) = ( 0.7367769 0.5000000 0.2632231), wk = 0.0030030 k( 105) = ( 0.7312705 0.5000000 0.2687295), wk = 0.0030030 k( 106) = ( 0.7257640 0.5000000 0.2742360), wk = 0.0030030 k( 107) = ( 0.7202576 0.5000000 0.2797424), wk = 0.0030030 k( 108) = ( 0.7147511 0.5000000 0.2852489), wk = 0.0030030 k( 109) = ( 0.7092447 0.5000000 0.2907553), wk = 0.0030030 k( 110) = ( 0.7037383 0.5000000 0.2962617), wk = 0.0030030 k( 111) = ( 0.6982318 0.5000000 0.3017682), wk = 0.0030030 k( 112) = ( 0.6927254 0.5000000 0.3072746), wk = 0.0030030 k( 113) = ( 0.6872189 0.5000000 0.3127811), wk = 0.0030030 k( 114) = ( 0.6817125 0.5000000 0.3182875), wk = 0.0030030 k( 115) = ( 0.6762061 0.5000000 0.3237939), wk = 0.0030030 k( 116) = ( 0.6706996 0.5000000 0.3293004), wk = 0.0030030 k( 117) = ( 0.6651932 0.5000000 0.3348068), wk = 0.0030030 k( 118) = ( 0.6596867 0.5000000 0.3403133), wk = 0.0030030 k( 119) = ( 0.6541803 0.5000000 0.3458197), wk = 0.0030030 k( 120) = ( 0.6486739 0.5000000 0.3513261), wk = 0.0030030 k( 121) = ( 0.6431674 0.5000000 0.3568326), wk = 0.0030030 k( 122) = ( 0.6376610 0.5000000 0.3623390), wk = 0.0030030 k( 123) = ( 0.6321545 0.5000000 0.3678455), wk = 0.0030030 k( 124) = ( 0.6266481 0.5000000 0.3733519), wk = 0.0030030 k( 125) = ( 0.6211417 0.5000000 0.3788583), wk = 0.0030030 k( 126) = ( 0.6156352 0.5000000 0.3843648), wk = 0.0030030 k( 127) = ( 0.6101288 0.5000000 0.3898712), wk = 0.0030030 k( 128) = ( 0.6046223 0.5000000 0.3953777), wk = 0.0030030 k( 129) = ( 0.5991159 0.5000000 0.4008841), wk = 0.0030030 k( 130) = ( 0.5936095 0.5000000 0.4063905), wk = 0.0030030 k( 131) = ( 0.5881030 0.5000000 0.4118970), wk = 0.0030030 k( 132) = ( 0.5825966 0.5000000 0.4174034), wk = 0.0030030 k( 133) = ( 0.5770901 0.5000000 0.4229099), wk = 0.0030030 k( 134) = ( 0.5715837 0.5000000 0.4284163), wk = 0.0030030 k( 135) = ( 0.5660773 0.5000000 0.4339227), wk = 0.0030030 k( 136) = ( 0.5605708 0.5000000 0.4394292), wk = 0.0030030 k( 137) = ( 0.5550644 0.5000000 0.4449356), wk = 0.0030030 k( 138) = ( 0.5495579 0.5000000 0.4504420), wk = 0.0030030 k( 139) = ( 0.5440515 0.5000000 0.4559485), wk = 0.0030030 k( 140) = ( 0.5385451 0.5000000 0.4614549), wk = 0.0030030 k( 141) = ( 0.5330386 0.5000000 0.4669614), wk = 0.0030030 k( 142) = ( 0.5275322 0.5000000 0.4724678), wk = 0.0030030 k( 143) = ( 0.5220258 0.5000000 0.4779742), wk = 0.0030030 k( 144) = ( 0.5165193 0.5000000 0.4834807), wk = 0.0030030 k( 145) = ( 0.5110129 0.5000000 0.4889871), wk = 0.0030030 k( 146) = ( 0.5055064 0.5000000 0.4944936), wk = 0.0030030 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 149) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0030030 k( 150) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0030030 k( 151) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030030 k( 152) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0030030 k( 153) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0030030 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030030 k( 155) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0030030 k( 156) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0030030 k( 157) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030030 k( 158) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0030030 k( 159) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0030030 k( 160) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030030 k( 161) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0030030 k( 162) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0030030 k( 163) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030030 k( 164) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0030030 k( 165) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0030030 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 168) = ( 0.0054445 -0.0000000 -0.0054445), wk = 0.0030030 k( 169) = ( 0.0108890 0.0000000 -0.0108890), wk = 0.0030030 k( 170) = ( 0.0163335 0.0000000 -0.0163335), wk = 0.0030030 k( 171) = ( 0.0217781 -0.0000000 -0.0217781), wk = 0.0030030 k( 172) = ( 0.0272226 -0.0000000 -0.0272226), wk = 0.0030030 k( 173) = ( 0.0326671 0.0000000 -0.0326671), wk = 0.0030030 k( 174) = ( 0.0381116 0.0000000 -0.0381116), wk = 0.0030030 k( 175) = ( 0.0435561 -0.0000000 -0.0435561), wk = 0.0030030 k( 176) = ( 0.0490006 0.0000000 -0.0490006), wk = 0.0030030 k( 177) = ( 0.0544452 -0.0000000 -0.0544452), wk = 0.0030030 k( 178) = ( 0.0598897 -0.0000000 -0.0598897), wk = 0.0030030 k( 179) = ( 0.0653342 0.0000000 -0.0653342), wk = 0.0030030 k( 180) = ( 0.0707787 0.0000000 -0.0707787), wk = 0.0030030 k( 181) = ( 0.0762232 -0.0000000 -0.0762232), wk = 0.0030030 k( 182) = ( 0.0816677 0.0000000 -0.0816677), wk = 0.0030030 k( 183) = ( 0.0871123 0.0000000 -0.0871123), wk = 0.0030030 k( 184) = ( 0.0925568 -0.0000000 -0.0925568), wk = 0.0030030 k( 185) = ( 0.0980013 0.0000000 -0.0980013), wk = 0.0030030 k( 186) = ( 0.1034458 -0.0000000 -0.1034458), wk = 0.0030030 k( 187) = ( 0.1088903 0.0000000 -0.1088903), wk = 0.0030030 k( 188) = ( 0.1143349 0.0000000 -0.1143349), wk = 0.0030030 k( 189) = ( 0.1197794 -0.0000000 -0.1197794), wk = 0.0030030 k( 190) = ( 0.1252239 -0.0000000 -0.1252239), wk = 0.0030030 k( 191) = ( 0.1306684 0.0000000 -0.1306684), wk = 0.0030030 k( 192) = ( 0.1361129 -0.0000000 -0.1361129), wk = 0.0030030 k( 193) = ( 0.1415574 0.0000000 -0.1415574), wk = 0.0030030 k( 194) = ( 0.1470019 0.0000000 -0.1470019), wk = 0.0030030 k( 195) = ( 0.1524465 -0.0000000 -0.1524465), wk = 0.0030030 k( 196) = ( 0.1578910 0.0000000 -0.1578910), wk = 0.0030030 k( 197) = ( 0.1633355 0.0000000 -0.1633355), wk = 0.0030030 k( 198) = ( 0.1687800 0.0000000 -0.1687800), wk = 0.0030030 k( 199) = ( 0.1742245 0.0000000 -0.1742245), wk = 0.0030030 k( 200) = ( 0.1796690 -0.0000000 -0.1796690), wk = 0.0030030 k( 201) = ( 0.1851136 -0.0000000 -0.1851136), wk = 0.0030030 k( 202) = ( 0.1905581 -0.0000000 -0.1905581), wk = 0.0030030 k( 203) = ( 0.1960026 0.0000000 -0.1960026), wk = 0.0030030 k( 204) = ( 0.2014471 0.0000000 -0.2014471), wk = 0.0030030 k( 205) = ( 0.2068916 -0.0000000 -0.2068916), wk = 0.0030030 k( 206) = ( 0.2123362 0.0000000 -0.2123362), wk = 0.0030030 k( 207) = ( 0.2177807 0.0000000 -0.2177807), wk = 0.0030030 k( 208) = ( 0.2232252 -0.0000000 -0.2232252), wk = 0.0030030 k( 209) = ( 0.2286697 0.0000000 -0.2286697), wk = 0.0030030 k( 210) = ( 0.2341142 0.0000000 -0.2341142), wk = 0.0030030 k( 211) = ( 0.2395587 -0.0000000 -0.2395587), wk = 0.0030030 k( 212) = ( 0.2450033 -0.0000000 -0.2450032), wk = 0.0030030 k( 213) = ( 0.2504478 -0.0000000 -0.2504478), wk = 0.0030030 k( 214) = ( 0.2558923 -0.0000000 -0.2558923), wk = 0.0030030 k( 215) = ( 0.2613368 0.0000000 -0.2613368), wk = 0.0030030 k( 216) = ( 0.2667813 -0.0000000 -0.2667813), wk = 0.0030030 k( 217) = ( 0.2722258 -0.0000000 -0.2722258), wk = 0.0030030 k( 218) = ( 0.2776704 -0.0000000 -0.2776704), wk = 0.0030030 k( 219) = ( 0.2831149 -0.0000000 -0.2831149), wk = 0.0030030 k( 220) = ( 0.2885594 0.0000000 -0.2885594), wk = 0.0030030 k( 221) = ( 0.2940039 0.0000000 -0.2940039), wk = 0.0030030 k( 222) = ( 0.2994484 -0.0000000 -0.2994484), wk = 0.0030030 k( 223) = ( 0.3048929 -0.0000000 -0.3048929), wk = 0.0030030 k( 224) = ( 0.3103375 -0.0000000 -0.3103375), wk = 0.0030030 k( 225) = ( 0.3157820 0.0000000 -0.3157820), wk = 0.0030030 k( 226) = ( 0.3212265 -0.0000000 -0.3212265), wk = 0.0030030 k( 227) = ( 0.3266710 0.0000000 -0.3266710), wk = 0.0030030 k( 228) = ( 0.3321155 -0.0000000 -0.3321155), wk = 0.0030030 k( 229) = ( 0.3375600 0.0000000 -0.3375600), wk = 0.0030030 k( 230) = ( 0.6624400 0.3375600 -0.0000000), wk = 0.0030030 k( 231) = ( 0.6570253 0.3429747 -0.0000000), wk = 0.0030030 k( 232) = ( 0.6516106 0.3483894 -0.0000000), wk = 0.0030030 k( 233) = ( 0.6461960 0.3538040 -0.0000000), wk = 0.0030030 k( 234) = ( 0.6407813 0.3592187 0.0000000), wk = 0.0030030 k( 235) = ( 0.6353666 0.3646334 -0.0000000), wk = 0.0030030 k( 236) = ( 0.6299520 0.3700480 0.0000000), wk = 0.0030030 k( 237) = ( 0.6245373 0.3754627 -0.0000000), wk = 0.0030030 k( 238) = ( 0.6191226 0.3808774 -0.0000000), wk = 0.0030030 k( 239) = ( 0.6137080 0.3862920 -0.0000000), wk = 0.0030030 k( 240) = ( 0.6082933 0.3917067 -0.0000000), wk = 0.0030030 k( 241) = ( 0.6028786 0.3971214 0.0000000), wk = 0.0030030 k( 242) = ( 0.5974640 0.4025360 0.0000000), wk = 0.0030030 k( 243) = ( 0.5920493 0.4079507 -0.0000000), wk = 0.0030030 k( 244) = ( 0.5866347 0.4133654 -0.0000000), wk = 0.0030030 k( 245) = ( 0.5812200 0.4187800 -0.0000000), wk = 0.0030030 k( 246) = ( 0.5758053 0.4241947 -0.0000000), wk = 0.0030030 k( 247) = ( 0.5703906 0.4296094 0.0000000), wk = 0.0030030 k( 248) = ( 0.5649760 0.4350240 0.0000000), wk = 0.0030030 k( 249) = ( 0.5595613 0.4404387 -0.0000000), wk = 0.0030030 k( 250) = ( 0.5541466 0.4458533 -0.0000000), wk = 0.0030030 k( 251) = ( 0.5487320 0.4512680 -0.0000000), wk = 0.0030030 k( 252) = ( 0.5433173 0.4566827 0.0000000), wk = 0.0030030 k( 253) = ( 0.5379027 0.4620973 -0.0000000), wk = 0.0030030 k( 254) = ( 0.5324880 0.4675120 0.0000000), wk = 0.0030030 k( 255) = ( 0.5270733 0.4729267 -0.0000000), wk = 0.0030030 k( 256) = ( 0.5216587 0.4783413 -0.0000000), wk = 0.0030030 k( 257) = ( 0.5162440 0.4837560 -0.0000000), wk = 0.0030030 k( 258) = ( 0.5108293 0.4891707 -0.0000000), wk = 0.0030030 k( 259) = ( 0.5054147 0.4945853 -0.0000000), wk = 0.0030030 k( 260) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030030 k( 261) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030030 k( 262) = ( 0.5232057 0.5232057 0.0250171), wk = 0.0030030 k( 263) = ( 0.5464114 0.5464114 0.0500343), wk = 0.0030030 k( 264) = ( 0.5696171 0.5696171 0.0750515), wk = 0.0030030 k( 265) = ( 0.5928228 0.5928228 0.1000686), wk = 0.0030030 k( 266) = ( 0.6160286 0.6160286 0.1250858), wk = 0.0030030 k( 267) = ( 0.6392343 0.6392343 0.1501029), wk = 0.0030030 k( 268) = ( 0.6624400 0.6624400 0.1751201), wk = 0.0030030 k( 269) = ( 0.6624400 0.6624400 0.1751201), wk = 0.0030030 k( 270) = ( 0.6592549 0.6592549 0.1814903), wk = 0.0030030 k( 271) = ( 0.6560698 0.6560698 0.1878605), wk = 0.0030030 k( 272) = ( 0.6528847 0.6528847 0.1942307), wk = 0.0030030 k( 273) = ( 0.6496996 0.6496996 0.2006009), wk = 0.0030030 k( 274) = ( 0.6465145 0.6465145 0.2069710), wk = 0.0030030 k( 275) = ( 0.6433294 0.6433294 0.2133412), wk = 0.0030030 k( 276) = ( 0.6401443 0.6401443 0.2197114), wk = 0.0030030 k( 277) = ( 0.6369592 0.6369592 0.2260816), wk = 0.0030030 k( 278) = ( 0.6337741 0.6337741 0.2324518), wk = 0.0030030 k( 279) = ( 0.6305890 0.6305890 0.2388220), wk = 0.0030030 k( 280) = ( 0.6274039 0.6274039 0.2451922), wk = 0.0030030 k( 281) = ( 0.6242188 0.6242188 0.2515624), wk = 0.0030030 k( 282) = ( 0.6210337 0.6210337 0.2579326), wk = 0.0030030 k( 283) = ( 0.6178486 0.6178486 0.2643028), wk = 0.0030030 k( 284) = ( 0.6146635 0.6146635 0.2706730), wk = 0.0030030 k( 285) = ( 0.6114784 0.6114784 0.2770432), wk = 0.0030030 k( 286) = ( 0.6082933 0.6082933 0.2834134), wk = 0.0030030 k( 287) = ( 0.6051082 0.6051082 0.2897836), wk = 0.0030030 k( 288) = ( 0.6019231 0.6019231 0.2961538), wk = 0.0030030 k( 289) = ( 0.5987380 0.5987380 0.3025240), wk = 0.0030030 k( 290) = ( 0.5955529 0.5955529 0.3088942), wk = 0.0030030 k( 291) = ( 0.5923678 0.5923678 0.3152644), wk = 0.0030030 k( 292) = ( 0.5891827 0.5891827 0.3216346), wk = 0.0030030 k( 293) = ( 0.5859976 0.5859976 0.3280048), wk = 0.0030030 k( 294) = ( 0.5828125 0.5828125 0.3343749), wk = 0.0030030 k( 295) = ( 0.5796274 0.5796274 0.3407451), wk = 0.0030030 k( 296) = ( 0.5764423 0.5764423 0.3471153), wk = 0.0030030 k( 297) = ( 0.5732572 0.5732572 0.3534855), wk = 0.0030030 k( 298) = ( 0.5700721 0.5700721 0.3598557), wk = 0.0030030 k( 299) = ( 0.5668870 0.5668870 0.3662259), wk = 0.0030030 k( 300) = ( 0.5637020 0.5637020 0.3725961), wk = 0.0030030 k( 301) = ( 0.5605168 0.5605168 0.3789663), wk = 0.0030030 k( 302) = ( 0.5573318 0.5573318 0.3853365), wk = 0.0030030 k( 303) = ( 0.5541466 0.5541466 0.3917067), wk = 0.0030030 k( 304) = ( 0.5509616 0.5509616 0.3980769), wk = 0.0030030 k( 305) = ( 0.5477765 0.5477765 0.4044471), wk = 0.0030030 k( 306) = ( 0.5445914 0.5445914 0.4108173), wk = 0.0030030 k( 307) = ( 0.5414063 0.5414063 0.4171875), wk = 0.0030030 k( 308) = ( 0.5382212 0.5382212 0.4235577), wk = 0.0030030 k( 309) = ( 0.5350361 0.5350361 0.4299279), wk = 0.0030030 k( 310) = ( 0.5318510 0.5318510 0.4362981), wk = 0.0030030 k( 311) = ( 0.5286659 0.5286659 0.4426683), wk = 0.0030030 k( 312) = ( 0.5254808 0.5254808 0.4490384), wk = 0.0030030 k( 313) = ( 0.5222957 0.5222957 0.4554086), wk = 0.0030030 k( 314) = ( 0.5191106 0.5191106 0.4617788), wk = 0.0030030 k( 315) = ( 0.5159255 0.5159255 0.4681490), wk = 0.0030030 k( 316) = ( 0.5127404 0.5127404 0.4745192), wk = 0.0030030 k( 317) = ( 0.5095553 0.5095553 0.4808894), wk = 0.0030030 k( 318) = ( 0.5063702 0.5063702 0.4872596), wk = 0.0030030 k( 319) = ( 0.5031851 0.5031851 0.4936298), wk = 0.0030030 k( 320) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 321) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030030 k( 322) = ( 0.5270733 0.0281300 0.0281300), wk = 0.0030030 k( 323) = ( 0.5541466 0.0562600 0.0562600), wk = 0.0030030 k( 324) = ( 0.5812200 0.0843900 0.0843900), wk = 0.0030030 k( 325) = ( 0.6082933 0.1125200 0.1125200), wk = 0.0030030 k( 326) = ( 0.6353666 0.1406500 0.1406500), wk = 0.0030030 k( 327) = ( 0.6624400 0.1687800 0.1687800), wk = 0.0030030 k( 328) = ( 0.6895133 0.1969100 0.1969100), wk = 0.0030030 k( 329) = ( 0.7165866 0.2250400 0.2250400), wk = 0.0030030 k( 330) = ( 0.7436599 0.2531700 0.2531700), wk = 0.0030030 k( 331) = ( 0.7707333 0.2813000 0.2813000), wk = 0.0030030 k( 332) = ( 0.7978066 0.3094300 0.3094300), wk = 0.0030030 k( 333) = ( 0.8248799 0.3375600 0.3375600), wk = 0.0030030 Dense grid: 85379 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 30881 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 222, 44) NL pseudopotentials 0.23 Mb ( 111, 136) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.02 Mb ( 2372) G-vector shells 0.01 Mb ( 1932) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 222, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./ScCl.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.0 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.9 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.7 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.6 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 17.5 secs Computing kpt #: 6 total cpu time spent up to now is 20.1 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.0 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.9 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.0 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.0 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.0 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 38.0 secs Computing kpt #: 13 total cpu time spent up to now is 40.2 secs Computing kpt #: 14 total cpu time spent up to now is 42.8 secs Computing kpt #: 15 total cpu time spent up to now is 45.1 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.0 secs Computing kpt #: 18 total cpu time spent up to now is 53.6 secs Computing kpt #: 19 total cpu time spent up to now is 55.2 secs Computing kpt #: 20 total cpu time spent up to now is 58.0 secs Computing kpt #: 21 total cpu time spent up to now is 59.6 secs Computing kpt #: 22 total cpu time spent up to now is 62.4 secs Computing kpt #: 23 total cpu time spent up to now is 64.8 secs Computing kpt #: 24 total cpu time spent up to now is 67.4 secs Computing kpt #: 25 total cpu time spent up to now is 69.7 secs Computing kpt #: 26 total cpu time spent up to now is 71.6 secs Computing kpt #: 27 total cpu time spent up to now is 73.8 secs Computing kpt #: 28 total cpu time spent up to now is 75.7 secs Computing kpt #: 29 total cpu time spent up to now is 77.2 secs Computing kpt #: 30 total cpu time spent up to now is 79.5 secs Computing kpt #: 31 total cpu time spent up to now is 81.7 secs Computing kpt #: 32 total cpu time spent up to now is 84.2 secs Computing kpt #: 33 total cpu time spent up to now is 85.8 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.8 secs Computing kpt #: 35 total cpu time spent up to now is 90.6 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.7 secs Computing kpt #: 37 total cpu time spent up to now is 95.9 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.9 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.1 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.1 secs Computing kpt #: 43 total cpu time spent up to now is 113.3 secs Computing kpt #: 44 total cpu time spent up to now is 115.5 secs Computing kpt #: 45 total cpu time spent up to now is 117.4 secs Computing kpt #: 46 total cpu time spent up to now is 119.3 secs Computing kpt #: 47 total cpu time spent up to now is 121.1 secs Computing kpt #: 48 total cpu time spent up to now is 122.9 secs Computing kpt #: 49 total cpu time spent up to now is 124.8 secs Computing kpt #: 50 total cpu time spent up to now is 126.9 secs Computing kpt #: 51 total cpu time spent up to now is 128.9 secs Computing kpt #: 52 total cpu time spent up to now is 130.7 secs Computing kpt #: 53 total cpu time spent up to now is 132.6 secs Computing kpt #: 54 total cpu time spent up to now is 134.7 secs Computing kpt #: 55 total cpu time spent up to now is 137.1 secs Computing kpt #: 56 total cpu time spent up to now is 139.6 secs Computing kpt #: 57 total cpu time spent up to now is 142.4 secs Computing kpt #: 58 total cpu time spent up to now is 145.1 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.0 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.9 secs Computing kpt #: 61 total cpu time spent up to now is 153.5 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.3 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.4 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 162.5 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.6 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.6 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.6 secs Computing kpt #: 68 total cpu time spent up to now is 173.2 secs Computing kpt #: 69 total cpu time spent up to now is 174.7 secs Computing kpt #: 70 total cpu time spent up to now is 177.0 secs Computing kpt #: 71 total cpu time spent up to now is 178.5 secs Computing kpt #: 72 total cpu time spent up to now is 180.4 secs Computing kpt #: 73 total cpu time spent up to now is 182.4 secs Computing kpt #: 74 total cpu time spent up to now is 184.3 secs Computing kpt #: 75 total cpu time spent up to now is 185.8 secs Computing kpt #: 76 total cpu time spent up to now is 187.3 secs Computing kpt #: 77 total cpu time spent up to now is 188.8 secs Computing kpt #: 78 total cpu time spent up to now is 190.7 secs Computing kpt #: 79 total cpu time spent up to now is 192.4 secs Computing kpt #: 80 total cpu time spent up to now is 194.0 secs Computing kpt #: 81 total cpu time spent up to now is 195.8 secs Computing kpt #: 82 total cpu time spent up to now is 197.3 secs Computing kpt #: 83 total cpu time spent up to now is 198.8 secs Computing kpt #: 84 total cpu time spent up to now is 200.3 secs Computing kpt #: 85 total cpu time spent up to now is 201.9 secs Computing kpt #: 86 total cpu time spent up to now is 203.3 secs Computing kpt #: 87 total cpu time spent up to now is 204.8 secs Computing kpt #: 88 total cpu time spent up to now is 206.3 secs Computing kpt #: 89 total cpu time spent up to now is 207.8 secs Computing kpt #: 90 total cpu time spent up to now is 209.2 secs Computing kpt #: 91 total cpu time spent up to now is 210.7 secs Computing kpt #: 92 total cpu time spent up to now is 212.2 secs Computing kpt #: 93 total cpu time spent up to now is 213.6 secs Computing kpt #: 94 total cpu time spent up to now is 215.1 secs Computing kpt #: 95 total cpu time spent up to now is 216.6 secs Computing kpt #: 96 total cpu time spent up to now is 218.0 secs Computing kpt #: 97 total cpu time spent up to now is 219.5 secs Computing kpt #: 98 total cpu time spent up to now is 220.9 secs Computing kpt #: 99 total cpu time spent up to now is 222.4 secs Computing kpt #: 100 total cpu time spent up to now is 223.8 secs Computing kpt #: 101 total cpu time spent up to now is 225.3 secs Computing kpt #: 102 total cpu time spent up to now is 226.8 secs Computing kpt #: 103 total cpu time spent up to now is 228.2 secs Computing kpt #: 104 total cpu time spent up to now is 229.7 secs Computing kpt #: 105 total cpu time spent up to now is 231.1 secs Computing kpt #: 106 total cpu time spent up to now is 232.5 secs Computing kpt #: 107 total cpu time spent up to now is 234.0 secs Computing kpt #: 108 total cpu time spent up to now is 235.5 secs Computing kpt #: 109 total cpu time spent up to now is 236.9 secs Computing kpt #: 110 total cpu time spent up to now is 238.4 secs Computing kpt #: 111 total cpu time spent up to now is 239.9 secs Computing kpt #: 112 total cpu time spent up to now is 241.3 secs Computing kpt #: 113 total cpu time spent up to now is 242.7 secs Computing kpt #: 114 total cpu time spent up to now is 244.1 secs Computing kpt #: 115 total cpu time spent up to now is 245.6 secs Computing kpt #: 116 total cpu time spent up to now is 247.0 secs Computing kpt #: 117 total cpu time spent up to now is 248.4 secs Computing kpt #: 118 total cpu time spent up to now is 249.9 secs Computing kpt #: 119 total cpu time spent up to now is 251.7 secs Computing kpt #: 120 total cpu time spent up to now is 253.2 secs Computing kpt #: 121 total cpu time spent up to now is 254.6 secs Computing kpt #: 122 total cpu time spent up to now is 256.0 secs Computing kpt #: 123 total cpu time spent up to now is 257.5 secs Computing kpt #: 124 total cpu time spent up to now is 259.2 secs Computing kpt #: 125 total cpu time spent up to now is 261.1 secs Computing kpt #: 126 total cpu time spent up to now is 262.6 secs Computing kpt #: 127 total cpu time spent up to now is 264.1 secs Computing kpt #: 128 total cpu time spent up to now is 265.6 secs Computing kpt #: 129 total cpu time spent up to now is 267.2 secs Computing kpt #: 130 total cpu time spent up to now is 268.8 secs Computing kpt #: 131 total cpu time spent up to now is 270.2 secs Computing kpt #: 132 total cpu time spent up to now is 272.1 secs Computing kpt #: 133 total cpu time spent up to now is 273.9 secs Computing kpt #: 134 total cpu time spent up to now is 275.7 secs Computing kpt #: 135 total cpu time spent up to now is 277.7 secs Computing kpt #: 136 total cpu time spent up to now is 279.7 secs Computing kpt #: 137 total cpu time spent up to now is 281.7 secs Computing kpt #: 138 total cpu time spent up to now is 284.4 secs Computing kpt #: 139 total cpu time spent up to now is 286.3 secs Computing kpt #: 140 total cpu time spent up to now is 289.1 secs Computing kpt #: 141 total cpu time spent up to now is 291.2 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.1 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.1 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.2 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.2 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.1 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.0 secs Computing kpt #: 149 total cpu time spent up to now is 314.0 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.9 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.8 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.5 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 325.4 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.5 secs Computing kpt #: 155 total cpu time spent up to now is 330.6 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.6 secs Computing kpt #: 157 total cpu time spent up to now is 335.9 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.7 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 341.6 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.6 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.5 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 350.3 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.0 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 355.9 secs Computing kpt #: 165 total cpu time spent up to now is 358.2 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.9 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.9 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 366.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 369.7 secs Computing kpt #: 170 total cpu time spent up to now is 372.2 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 375.0 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.9 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.9 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.0 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.0 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.2 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.3 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 396.3 secs Computing kpt #: 179 total cpu time spent up to now is 398.5 secs Computing kpt #: 180 total cpu time spent up to now is 400.8 secs Computing kpt #: 181 total cpu time spent up to now is 402.7 secs Computing kpt #: 182 total cpu time spent up to now is 404.9 secs Computing kpt #: 183 total cpu time spent up to now is 406.4 secs Computing kpt #: 184 total cpu time spent up to now is 407.8 secs Computing kpt #: 185 total cpu time spent up to now is 409.7 secs Computing kpt #: 186 total cpu time spent up to now is 411.3 secs Computing kpt #: 187 total cpu time spent up to now is 413.1 secs Computing kpt #: 188 total cpu time spent up to now is 414.9 secs Computing kpt #: 189 total cpu time spent up to now is 416.8 secs Computing kpt #: 190 total cpu time spent up to now is 418.2 secs Computing kpt #: 191 total cpu time spent up to now is 420.0 secs Computing kpt #: 192 total cpu time spent up to now is 421.5 secs Computing kpt #: 193 total cpu time spent up to now is 423.3 secs Computing kpt #: 194 total cpu time spent up to now is 425.1 secs Computing kpt #: 195 total cpu time spent up to now is 427.0 secs Computing kpt #: 196 total cpu time spent up to now is 428.5 secs Computing kpt #: 197 total cpu time spent up to now is 430.0 secs Computing kpt #: 198 total cpu time spent up to now is 431.5 secs Computing kpt #: 199 total cpu time spent up to now is 433.0 secs Computing kpt #: 200 total cpu time spent up to now is 434.6 secs Computing kpt #: 201 total cpu time spent up to now is 436.0 secs Computing kpt #: 202 total cpu time spent up to now is 437.5 secs Computing kpt #: 203 total cpu time spent up to now is 439.0 secs Computing kpt #: 204 total cpu time spent up to now is 440.5 secs Computing kpt #: 205 total cpu time spent up to now is 442.0 secs Computing kpt #: 206 total cpu time spent up to now is 443.7 secs Computing kpt #: 207 total cpu time spent up to now is 445.3 secs Computing kpt #: 208 total cpu time spent up to now is 447.2 secs Computing kpt #: 209 total cpu time spent up to now is 448.9 secs Computing kpt #: 210 total cpu time spent up to now is 450.6 secs Computing kpt #: 211 total cpu time spent up to now is 452.2 secs Computing kpt #: 212 total cpu time spent up to now is 453.9 secs Computing kpt #: 213 total cpu time spent up to now is 455.6 secs Computing kpt #: 214 total cpu time spent up to now is 457.3 secs Computing kpt #: 215 total cpu time spent up to now is 459.0 secs Computing kpt #: 216 total cpu time spent up to now is 460.6 secs Computing kpt #: 217 total cpu time spent up to now is 462.3 secs Computing kpt #: 218 total cpu time spent up to now is 463.9 secs Computing kpt #: 219 total cpu time spent up to now is 465.6 secs Computing kpt #: 220 total cpu time spent up to now is 467.2 secs Computing kpt #: 221 total cpu time spent up to now is 468.9 secs Computing kpt #: 222 total cpu time spent up to now is 470.3 secs Computing kpt #: 223 total cpu time spent up to now is 471.8 secs Computing kpt #: 224 total cpu time spent up to now is 473.2 secs Computing kpt #: 225 total cpu time spent up to now is 474.9 secs Computing kpt #: 226 total cpu time spent up to now is 476.3 secs Computing kpt #: 227 total cpu time spent up to now is 477.8 secs Computing kpt #: 228 total cpu time spent up to now is 479.3 secs Computing kpt #: 229 total cpu time spent up to now is 480.8 secs Computing kpt #: 230 total cpu time spent up to now is 482.3 secs Computing kpt #: 231 total cpu time spent up to now is 484.0 secs Computing kpt #: 232 total cpu time spent up to now is 485.6 secs Computing kpt #: 233 total cpu time spent up to now is 487.2 secs Computing kpt #: 234 total cpu time spent up to now is 488.7 secs Computing kpt #: 235 total cpu time spent up to now is 490.2 secs Computing kpt #: 236 total cpu time spent up to now is 491.7 secs Computing kpt #: 237 total cpu time spent up to now is 493.2 secs Computing kpt #: 238 total cpu time spent up to now is 494.7 secs Computing kpt #: 239 total cpu time spent up to now is 496.1 secs Computing kpt #: 240 total cpu time spent up to now is 497.6 secs Computing kpt #: 241 total cpu time spent up to now is 499.1 secs Computing kpt #: 242 total cpu time spent up to now is 500.5 secs Computing kpt #: 243 total cpu time spent up to now is 502.0 secs Computing kpt #: 244 total cpu time spent up to now is 503.5 secs Computing kpt #: 245 total cpu time spent up to now is 505.0 secs Computing kpt #: 246 total cpu time spent up to now is 506.5 secs Computing kpt #: 247 total cpu time spent up to now is 508.0 secs Computing kpt #: 248 total cpu time spent up to now is 510.5 secs Computing kpt #: 249 total cpu time spent up to now is 512.0 secs Computing kpt #: 250 total cpu time spent up to now is 514.9 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.8 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.7 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.5 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 526.4 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 529.4 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.2 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.0 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.9 secs Computing kpt #: 259 total cpu time spent up to now is 540.0 secs Computing kpt #: 260 total cpu time spent up to now is 542.0 secs Computing kpt #: 261 total cpu time spent up to now is 544.4 secs Computing kpt #: 262 total cpu time spent up to now is 546.8 secs Computing kpt #: 263 total cpu time spent up to now is 549.0 secs Computing kpt #: 264 total cpu time spent up to now is 551.4 secs Computing kpt #: 265 total cpu time spent up to now is 554.1 secs Computing kpt #: 266 total cpu time spent up to now is 556.9 secs Computing kpt #: 267 total cpu time spent up to now is 559.7 secs Computing kpt #: 268 total cpu time spent up to now is 562.3 secs Computing kpt #: 269 total cpu time spent up to now is 564.8 secs Computing kpt #: 270 total cpu time spent up to now is 567.3 secs Computing kpt #: 271 total cpu time spent up to now is 569.3 secs Computing kpt #: 272 total cpu time spent up to now is 571.7 secs Computing kpt #: 273 total cpu time spent up to now is 573.8 secs Computing kpt #: 274 total cpu time spent up to now is 575.7 secs Computing kpt #: 275 total cpu time spent up to now is 577.5 secs Computing kpt #: 276 total cpu time spent up to now is 579.4 secs Computing kpt #: 277 total cpu time spent up to now is 581.9 secs Computing kpt #: 278 total cpu time spent up to now is 583.7 secs Computing kpt #: 279 total cpu time spent up to now is 586.5 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.5 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 592.4 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.5 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.5 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.5 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 604.5 secs Computing kpt #: 286 total cpu time spent up to now is 607.5 secs Computing kpt #: 287 total cpu time spent up to now is 609.4 secs Computing kpt #: 288 total cpu time spent up to now is 611.7 secs Computing kpt #: 289 total cpu time spent up to now is 613.5 secs Computing kpt #: 290 total cpu time spent up to now is 615.3 secs Computing kpt #: 291 total cpu time spent up to now is 617.1 secs Computing kpt #: 292 total cpu time spent up to now is 618.9 secs Computing kpt #: 293 total cpu time spent up to now is 620.8 secs Computing kpt #: 294 total cpu time spent up to now is 622.6 secs Computing kpt #: 295 total cpu time spent up to now is 624.1 secs Computing kpt #: 296 total cpu time spent up to now is 625.6 secs Computing kpt #: 297 total cpu time spent up to now is 627.4 secs Computing kpt #: 298 total cpu time spent up to now is 628.9 secs Computing kpt #: 299 total cpu time spent up to now is 630.7 secs Computing kpt #: 300 total cpu time spent up to now is 632.6 secs Computing kpt #: 301 total cpu time spent up to now is 634.0 secs Computing kpt #: 302 total cpu time spent up to now is 635.8 secs Computing kpt #: 303 total cpu time spent up to now is 637.6 secs Computing kpt #: 304 total cpu time spent up to now is 639.4 secs Computing kpt #: 305 total cpu time spent up to now is 641.3 secs Computing kpt #: 306 total cpu time spent up to now is 642.8 secs Computing kpt #: 307 total cpu time spent up to now is 644.7 secs Computing kpt #: 308 total cpu time spent up to now is 646.5 secs Computing kpt #: 309 total cpu time spent up to now is 648.3 secs Computing kpt #: 310 total cpu time spent up to now is 650.2 secs Computing kpt #: 311 total cpu time spent up to now is 652.0 secs Computing kpt #: 312 total cpu time spent up to now is 654.2 secs Computing kpt #: 313 total cpu time spent up to now is 656.4 secs Computing kpt #: 314 total cpu time spent up to now is 659.0 secs Computing kpt #: 315 total cpu time spent up to now is 661.2 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 664.2 secs Computing kpt #: 317 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 667.0 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 669.9 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 672.9 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 675.8 secs Computing kpt #: 321 total cpu time spent up to now is 678.4 secs Computing kpt #: 322 total cpu time spent up to now is 680.6 secs Computing kpt #: 323 total cpu time spent up to now is 682.4 secs Computing kpt #: 324 total cpu time spent up to now is 684.9 secs Computing kpt #: 325 total cpu time spent up to now is 687.0 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 689.9 secs Computing kpt #: 327 total cpu time spent up to now is 692.0 secs Computing kpt #: 328 total cpu time spent up to now is 694.9 secs Computing kpt #: 329 total cpu time spent up to now is 697.0 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 699.8 secs Computing kpt #: 331 total cpu time spent up to now is 701.9 secs Computing kpt #: 332 total cpu time spent up to now is 704.4 secs Computing kpt #: 333 total cpu time spent up to now is 706.5 secs ethr = 2.78E-08, avg # of iterations = 65.7 total cpu time spent up to now is 706.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3885 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6339 -20.6339 -20.6050 -20.6050 -20.5959 -20.5959 -9.4138 -9.4138 -9.2218 -9.2218 1.2751 1.2751 2.4276 2.4276 3.6652 3.6652 3.7480 3.7480 3.7597 3.7597 3.8428 3.8428 5.3247 5.3247 7.6945 7.6945 8.9095 8.9095 8.9217 8.9217 9.0774 9.0774 9.3531 9.3537 k = 0.0094-0.0234-0.0139 ( 3881 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1115 -21.1115 -20.7354 -20.7354 -20.6341 -20.6341 -20.6049 -20.6049 -20.5960 -20.5960 -9.4134 -9.4134 -9.2214 -9.2214 1.2760 1.2760 2.4281 2.4281 3.6636 3.6636 3.7458 3.7458 3.7582 3.7582 3.8406 3.8406 5.3267 5.3267 7.6939 7.6939 8.9083 8.9083 8.9208 8.9208 9.0781 9.0781 9.3540 9.3552 k = 0.0189-0.0468-0.0277 ( 3881 PWs) bands (ev): -42.2592 -42.2592 -42.2255 -42.2255 -21.2107 -21.2107 -21.1117 -21.1117 -20.7354 -20.7354 -20.6346 -20.6346 -20.6048 -20.6048 -20.5963 -20.5963 -9.4120 -9.4120 -9.2203 -9.2203 1.2789 1.2789 2.4295 2.4295 3.6587 3.6587 3.7394 3.7394 3.7534 3.7534 3.8347 3.8347 5.3327 5.3327 7.6919 7.6919 8.9036 8.9036 8.9192 8.9192 9.0801 9.0801 9.3562 9.3568 k = 0.0283-0.0703-0.0416 ( 3877 PWs) bands (ev): -42.2591 -42.2591 -42.2255 -42.2255 -21.2107 -21.2107 -21.1120 -21.1120 -20.7355 -20.7355 -20.6355 -20.6355 -20.6046 -20.6046 -20.5968 -20.5968 -9.4098 -9.4098 -9.2185 -9.2185 1.2837 1.2837 2.4318 2.4318 3.6499 3.6499 3.7287 3.7287 3.7447 3.7447 3.8262 3.8262 5.3424 5.3424 7.6887 7.6887 8.8939 8.8939 8.9188 8.9188 9.0833 9.0833 9.3600 9.3622 k = 0.0377-0.0937-0.0554 ( 3884 PWs) bands (ev): -42.2589 -42.2589 -42.2254 -42.2254 -21.2109 -21.2109 -21.1126 -21.1126 -20.7356 -20.7356 -20.6366 -20.6366 -20.6044 -20.6044 -20.5974 -20.5974 -9.4067 -9.4067 -9.2159 -9.2159 1.2904 1.2904 2.4351 2.4351 3.6365 3.6365 3.7128 3.7128 3.7329 3.7329 3.8168 3.8168 5.3556 5.3556 7.6842 7.6842 8.8794 8.8794 8.9194 8.9194 9.0877 9.0877 9.3650 9.3667 k = 0.0472-0.1171-0.0693 ( 3886 PWs) bands (ev): -42.2587 -42.2587 -42.2253 -42.2253 -21.2110 -21.2110 -21.1132 -21.1132 -20.7357 -20.7357 -20.6380 -20.6380 -20.6042 -20.6042 -20.5983 -20.5983 -9.4027 -9.4027 -9.2126 -9.2126 1.2989 1.2989 2.4392 2.4392 3.6179 3.6179 3.6894 3.6894 3.7204 3.7204 3.8076 3.8076 5.3719 5.3719 7.6785 7.6785 8.8608 8.8608 8.9209 8.9209 9.0931 9.0931 9.3713 9.3715 k = 0.0566-0.1405-0.0832 ( 3887 PWs) bands (ev): -42.2585 -42.2585 -42.2252 -42.2252 -21.2112 -21.2112 -21.1141 -21.1141 -20.7359 -20.7359 -20.6396 -20.6396 -20.6042 -20.6042 -20.5991 -20.5991 -9.3979 -9.3979 -9.2087 -9.2087 1.3093 1.3093 2.4442 2.4442 3.5933 3.5933 3.6582 3.6582 3.7084 3.7084 3.7990 3.7990 5.3909 5.3909 7.6716 7.6716 8.8386 8.8386 8.9231 8.9231 9.0992 9.0992 9.3787 9.3791 k = 0.0660-0.1640-0.0970 ( 3889 PWs) bands (ev): -42.2582 -42.2582 -42.2251 -42.2251 -21.2113 -21.2113 -21.1151 -21.1151 -20.7360 -20.7360 -20.6415 -20.6415 -20.6046 -20.6046 -20.5998 -20.5998 -9.3922 -9.3922 -9.2040 -9.2040 1.3215 1.3215 2.4500 2.4500 3.5628 3.5628 3.6202 3.6202 3.6969 3.6969 3.7908 3.7908 5.4122 5.4122 7.6637 7.6637 8.8132 8.8132 8.9260 8.9260 9.1058 9.1058 9.3866 9.3889 k = 0.0755-0.1874-0.1109 ( 3880 PWs) bands (ev): -42.2578 -42.2578 -42.2250 -42.2250 -21.2115 -21.2115 -21.1162 -21.1162 -20.7362 -20.7362 -20.6435 -20.6435 -20.6055 -20.6055 -20.6002 -20.6002 -9.3857 -9.3857 -9.1986 -9.1986 1.3354 1.3354 2.4566 2.4566 3.5264 3.5264 3.5768 3.5768 3.6858 3.6858 3.7828 3.7828 5.4354 5.4354 7.6548 7.6548 8.7850 8.7850 8.9296 8.9296 9.1127 9.1127 9.3950 9.3960 k = 0.0849-0.2108-0.1248 ( 3880 PWs) bands (ev): -42.2575 -42.2575 -42.2248 -42.2248 -21.2118 -21.2118 -21.1174 -21.1174 -20.7364 -20.7364 -20.6457 -20.6457 -20.6069 -20.6069 -20.6002 -20.6002 -9.3783 -9.3783 -9.1926 -9.1926 1.3511 1.3511 2.4639 2.4639 3.4842 3.4842 3.5294 3.5294 3.6747 3.6747 3.7745 3.7745 5.4601 5.4601 7.6451 7.6451 8.7541 8.7541 8.9339 8.9339 9.1194 9.1194 9.4034 9.4036 k = 0.0943-0.2342-0.1386 ( 3876 PWs) bands (ev): -42.2570 -42.2570 -42.2246 -42.2246 -21.2121 -21.2121 -21.1188 -21.1188 -20.7367 -20.7367 -20.6480 -20.6480 -20.6086 -20.6086 -20.6001 -20.6001 -9.3702 -9.3702 -9.1859 -9.1859 1.3684 1.3684 2.4719 2.4719 3.4364 3.4364 3.4790 3.4790 3.6634 3.6634 3.7659 3.7659 5.4860 5.4860 7.6345 7.6345 8.7210 8.7210 8.9391 8.9391 9.1256 9.1256 9.4119 9.4126 k = 0.1038-0.2577-0.1525 ( 3872 PWs) bands (ev): -42.2566 -42.2566 -42.2244 -42.2244 -21.2124 -21.2124 -21.1203 -21.1203 -20.7369 -20.7369 -20.6504 -20.6504 -20.6107 -20.6107 -20.6000 -20.6000 -9.3613 -9.3613 -9.1786 -9.1786 1.3874 1.3874 2.4804 2.4804 3.3834 3.3834 3.4264 3.4264 3.6518 3.6518 3.7568 3.7568 5.5128 5.5128 7.6233 7.6233 8.6859 8.6859 8.9453 8.9453 9.1309 9.1309 9.4204 9.4205 k = 0.1132-0.2811-0.1663 ( 3873 PWs) bands (ev): -42.2561 -42.2561 -42.2242 -42.2242 -21.2128 -21.2128 -21.1220 -21.1220 -20.7372 -20.7372 -20.6530 -20.6530 -20.6130 -20.6130 -20.5998 -20.5998 -9.3516 -9.3516 -9.1707 -9.1707 1.4078 1.4078 2.4894 2.4894 3.3258 3.3258 3.3718 3.3718 3.6398 3.6398 3.7472 3.7472 5.5403 5.5403 7.6115 7.6115 8.6489 8.6489 8.9523 8.9523 9.1347 9.1347 9.4294 9.4294 k = 0.1226-0.3045-0.1802 ( 3880 PWs) bands (ev): -42.2555 -42.2555 -42.2240 -42.2240 -21.2132 -21.2132 -21.1239 -21.1239 -20.7375 -20.7375 -20.6557 -20.6557 -20.6156 -20.6156 -20.5997 -20.5997 -9.3412 -9.3412 -9.1623 -9.1623 1.4298 1.4298 2.4988 2.4988 3.2645 3.2645 3.3154 3.3154 3.6273 3.6273 3.7370 3.7370 5.5683 5.5683 7.5993 7.5993 8.6103 8.6103 8.9604 8.9604 9.1367 9.1367 9.4392 9.4392 k = 0.1321-0.3279-0.1941 ( 3882 PWs) bands (ev): -42.2550 -42.2550 -42.2238 -42.2238 -21.2137 -21.2137 -21.1258 -21.1258 -20.7379 -20.7379 -20.6584 -20.6584 -20.6182 -20.6182 -20.5996 -20.5996 -9.3302 -9.3302 -9.1532 -9.1532 1.4531 1.4531 2.5084 2.5084 3.2005 3.2005 3.2571 3.2571 3.6144 3.6144 3.7263 3.7263 5.5966 5.5966 7.5868 7.5868 8.5704 8.5704 8.9694 8.9694 9.1366 9.1366 9.4502 9.4503 k = 0.1415-0.3514-0.2079 ( 3880 PWs) bands (ev): -42.2544 -42.2544 -42.2235 -42.2235 -21.2141 -21.2141 -21.1279 -21.1279 -20.7383 -20.7383 -20.6611 -20.6611 -20.6210 -20.6210 -20.5996 -20.5996 -9.3184 -9.3184 -9.1437 -9.1437 1.4776 1.4776 2.5180 2.5180 3.1344 3.1344 3.1970 3.1970 3.6010 3.6010 3.7150 3.7150 5.6253 5.6253 7.5742 7.5742 8.5294 8.5294 8.9795 8.9795 9.1339 9.1339 9.4627 9.4627 k = 0.1509-0.3748-0.2218 ( 3881 PWs) bands (ev): -42.2537 -42.2537 -42.2233 -42.2233 -21.2147 -21.2147 -21.1301 -21.1301 -20.7387 -20.7387 -20.6640 -20.6640 -20.6239 -20.6239 -20.5996 -20.5996 -9.3061 -9.3061 -9.1336 -9.1336 1.5034 1.5034 2.5275 2.5275 3.0669 3.0669 3.1354 3.1354 3.5872 3.5872 3.7032 3.7032 5.6542 5.6542 7.5615 7.5615 8.4874 8.4874 8.9906 8.9906 9.1288 9.1288 9.4770 9.4770 k = 0.1604-0.3982-0.2357 ( 3881 PWs) bands (ev): -42.2531 -42.2531 -42.2230 -42.2230 -21.2152 -21.2152 -21.1324 -21.1324 -20.7391 -20.7391 -20.6668 -20.6668 -20.6270 -20.6270 -20.5997 -20.5997 -9.2931 -9.2931 -9.1231 -9.1231 1.5302 1.5302 2.5363 2.5363 2.9986 2.9986 3.0727 3.0727 3.5730 3.5730 3.6909 3.6909 5.6833 5.6833 7.5490 7.5490 8.4446 8.4446 9.0027 9.0027 9.1211 9.1211 9.4931 9.4931 k = 0.1698-0.4216-0.2495 ( 3890 PWs) bands (ev): -42.2524 -42.2524 -42.2228 -42.2228 -21.2159 -21.2159 -21.1348 -21.1348 -20.7396 -20.7396 -20.6697 -20.6697 -20.6301 -20.6301 -20.5998 -20.5998 -9.2796 -9.2796 -9.1122 -9.1122 1.5580 1.5580 2.5440 2.5440 2.9303 2.9303 3.0091 3.0091 3.5585 3.5585 3.6781 3.6781 5.7125 5.7125 7.5366 7.5366 8.4012 8.4012 9.0158 9.0158 9.1109 9.1109 9.5111 9.5111 k = 0.1792-0.4450-0.2634 ( 3888 PWs) bands (ev): -42.2516 -42.2516 -42.2225 -42.2225 -21.2165 -21.2165 -21.1373 -21.1373 -20.7401 -20.7401 -20.6726 -20.6726 -20.6332 -20.6332 -20.6000 -20.6000 -9.2656 -9.2656 -9.1009 -9.1009 1.5866 1.5866 2.5496 2.5496 2.8628 2.8628 2.9455 2.9455 3.5437 3.5437 3.6649 3.6649 5.7418 5.7418 7.5245 7.5245 8.3574 8.3574 9.0298 9.0298 9.0986 9.0986 9.5311 9.5311 k = 0.1887-0.4685-0.2772 ( 3884 PWs) bands (ev): -42.2509 -42.2509 -42.2222 -42.2222 -21.2172 -21.2172 -21.1399 -21.1399 -20.7406 -20.7406 -20.6754 -20.6754 -20.6363 -20.6363 -20.6003 -20.6003 -9.2511 -9.2511 -9.0892 -9.0892 1.6159 1.6159 2.5511 2.5511 2.7976 2.7976 2.8826 2.8826 3.5286 3.5286 3.6513 3.6513 5.7714 5.7714 7.5129 7.5129 8.3134 8.3134 9.0445 9.0445 9.0845 9.0845 9.5529 9.5529 k = 0.1981-0.4919-0.2911 ( 3884 PWs) bands (ev): -42.2501 -42.2501 -42.2220 -42.2220 -21.2179 -21.2179 -21.1427 -21.1427 -20.7412 -20.7412 -20.6783 -20.6783 -20.6395 -20.6395 -20.6006 -20.6006 -9.2361 -9.2361 -9.0772 -9.0772 1.6457 1.6457 2.5450 2.5450 2.7367 2.7367 2.8227 2.8227 3.5133 3.5133 3.6374 3.6374 5.8012 5.8012 7.5017 7.5017 8.2693 8.2693 9.0574 9.0574 9.0711 9.0711 9.5765 9.5765 k = 0.2075-0.5153-0.3050 ( 3882 PWs) bands (ev): -42.2493 -42.2493 -42.2217 -42.2217 -21.2187 -21.2187 -21.1455 -21.1455 -20.7418 -20.7418 -20.6811 -20.6811 -20.6427 -20.6427 -20.6010 -20.6010 -9.2208 -9.2208 -9.0649 -9.0649 1.6757 1.6757 2.5255 2.5255 2.6819 2.6819 2.7701 2.7701 3.4978 3.4978 3.6232 3.6232 5.8313 5.8313 7.4910 7.4910 8.2253 8.2253 9.0478 9.0478 9.0794 9.0794 9.6018 9.6018 k = 0.2170-0.5387-0.3188 ( 3880 PWs) bands (ev): -42.2485 -42.2485 -42.2214 -42.2214 -21.2195 -21.2195 -21.1483 -21.1483 -20.7424 -20.7424 -20.6840 -20.6840 -20.6458 -20.6458 -20.6014 -20.6014 -9.2051 -9.2051 -9.0524 -9.0524 1.7057 1.7057 2.4885 2.4885 2.6301 2.6301 2.7327 2.7327 3.4823 3.4823 3.6088 3.6088 5.8616 5.8616 7.4810 7.4810 8.1815 8.1815 9.0291 9.0291 9.0961 9.0961 9.6289 9.6289 k = 0.2264-0.5622-0.3327 ( 3873 PWs) bands (ev): -42.2477 -42.2477 -42.2211 -42.2211 -21.2203 -21.2203 -21.1513 -21.1513 -20.7431 -20.7431 -20.6868 -20.6868 -20.6488 -20.6488 -20.6019 -20.6019 -9.1892 -9.1892 -9.0397 -9.0397 1.7355 1.7355 2.4372 2.4372 2.5749 2.5749 2.7141 2.7141 3.4667 3.4667 3.5942 3.5942 5.8924 5.8924 7.4715 7.4715 8.1381 8.1381 9.0088 9.0088 9.1139 9.1139 9.6576 9.6576 k = 0.2358-0.5856-0.3466 ( 3876 PWs) bands (ev): -42.2469 -42.2469 -42.2209 -42.2209 -21.2212 -21.2212 -21.1543 -21.1543 -20.7439 -20.7439 -20.6896 -20.6896 -20.6518 -20.6518 -20.6025 -20.6025 -9.1729 -9.1729 -9.0268 -9.0268 1.7646 1.7646 2.3783 2.3783 2.5160 2.5160 2.7087 2.7087 3.4511 3.4511 3.5794 3.5794 5.9237 5.9237 7.4627 7.4627 8.0952 8.0952 8.9873 8.9873 9.1324 9.1324 9.6881 9.6881 k = 0.2453-0.6090-0.3604 ( 3874 PWs) bands (ev): -42.2460 -42.2460 -42.2206 -42.2206 -21.2221 -21.2221 -21.1574 -21.1574 -20.7447 -20.7447 -20.6923 -20.6923 -20.6547 -20.6547 -20.6031 -20.6031 -9.1565 -9.1565 -9.0139 -9.0139 1.7923 1.7923 2.3163 2.3163 2.4559 2.4559 2.7102 2.7102 3.4355 3.4355 3.5646 3.5646 5.9554 5.9554 7.4544 7.4544 8.0529 8.0529 8.9649 8.9649 9.1513 9.1513 9.7202 9.7202 k = 0.2547-0.6324-0.3743 ( 3872 PWs) bands (ev): -42.2452 -42.2452 -42.2203 -42.2203 -21.2230 -21.2230 -21.1605 -21.1605 -20.7455 -20.7455 -20.6950 -20.6950 -20.6574 -20.6574 -20.6038 -20.6038 -9.1400 -9.1400 -9.0009 -9.0009 1.8179 1.8179 2.2538 2.2538 2.3966 2.3966 2.7152 2.7152 3.4201 3.4201 3.5498 3.5498 5.9878 5.9878 7.4468 7.4468 8.0112 8.0112 8.9419 8.9419 9.1705 9.1705 9.7541 9.7541 k = 0.2642-0.6559-0.3881 ( 3874 PWs) bands (ev): -42.2443 -42.2443 -42.2201 -42.2201 -21.2240 -21.2240 -21.1636 -21.1636 -20.7464 -20.7464 -20.6977 -20.6977 -20.6600 -20.6600 -20.6045 -20.6045 -9.1234 -9.1234 -8.9880 -8.9880 1.8399 1.8399 2.1923 2.1923 2.3399 2.3399 2.7218 2.7218 3.4047 3.4047 3.5350 3.5350 6.0208 6.0208 7.4396 7.4396 7.9704 7.9704 8.9184 8.9184 9.1900 9.1900 9.7897 9.7897 k = 0.2736-0.6793-0.4020 ( 3871 PWs) bands (ev): -42.2434 -42.2434 -42.2198 -42.2198 -21.2249 -21.2249 -21.1668 -21.1668 -20.7473 -20.7473 -20.7004 -20.7004 -20.6624 -20.6624 -20.6052 -20.6052 -9.1067 -9.1067 -8.9750 -8.9750 1.8561 1.8561 2.1331 2.1331 2.2879 2.2879 2.7292 2.7292 3.3897 3.3897 3.5202 3.5202 6.0545 6.0545 7.4330 7.4330 7.9305 7.9305 8.8945 8.8945 9.2095 9.2095 9.8270 9.8270 k = 0.2830-0.7027-0.4159 ( 3877 PWs) bands (ev): -42.2426 -42.2426 -42.2196 -42.2196 -21.2259 -21.2259 -21.1700 -21.1700 -20.7483 -20.7483 -20.7031 -20.7031 -20.6646 -20.6646 -20.6060 -20.6060 -9.0901 -9.0901 -8.9622 -8.9622 1.8630 1.8630 2.0775 2.0775 2.2432 2.2432 2.7369 2.7369 3.3748 3.3748 3.5057 3.5057 6.0889 6.0889 7.4267 7.4267 7.8915 7.8915 8.8704 8.8704 9.2290 9.2290 9.8661 9.8661 k = 0.2925-0.7261-0.4297 ( 3878 PWs) bands (ev): -42.2417 -42.2417 -42.2194 -42.2194 -21.2269 -21.2269 -21.1732 -21.1732 -20.7493 -20.7493 -20.7058 -20.7058 -20.6666 -20.6666 -20.6069 -20.6069 -9.0735 -9.0735 -8.9495 -8.9495 1.8566 1.8566 2.0263 2.0263 2.2099 2.2099 2.7446 2.7446 3.3602 3.3602 3.4913 3.4913 6.1241 6.1241 7.4209 7.4209 7.8534 7.8534 8.8462 8.8462 9.2483 9.2483 9.9069 9.9069 k = 0.3019-0.7495-0.4436 ( 3874 PWs) bands (ev): -42.2408 -42.2408 -42.2192 -42.2192 -21.2278 -21.2278 -21.1764 -21.1764 -20.7503 -20.7503 -20.7084 -20.7084 -20.6683 -20.6683 -20.6077 -20.6077 -9.0571 -9.0571 -8.9370 -8.9370 1.8346 1.8346 1.9787 1.9787 2.1911 2.1911 2.7520 2.7520 3.3460 3.3460 3.4772 3.4772 6.1602 6.1602 7.4153 7.4153 7.8164 7.8164 8.8221 8.8221 9.2673 9.2673 9.9495 9.9495 k = 0.3113-0.7730-0.4575 ( 3872 PWs) bands (ev): -42.2400 -42.2400 -42.2190 -42.2190 -21.2287 -21.2287 -21.1796 -21.1796 -20.7513 -20.7513 -20.7111 -20.7111 -20.6699 -20.6699 -20.6086 -20.6086 -9.0409 -9.0409 -8.9247 -8.9247 1.7994 1.7994 1.9325 1.9325 2.1870 2.1870 2.7592 2.7592 3.3321 3.3321 3.4633 3.4633 6.1972 6.1972 7.4099 7.4099 7.7804 7.7804 8.7981 8.7981 9.2860 9.2860 9.9938 9.9939 k = 0.3208-0.7964-0.4713 ( 3877 PWs) bands (ev): -42.2391 -42.2391 -42.2188 -42.2188 -21.2297 -21.2297 -21.1827 -21.1827 -20.7523 -20.7523 -20.7137 -20.7137 -20.6712 -20.6712 -20.6096 -20.6096 -9.0249 -9.0249 -8.9128 -8.9128 1.7564 1.7564 1.8859 1.8859 2.1943 2.1943 2.7658 2.7658 3.3187 3.3187 3.4498 3.4498 6.2350 6.2350 7.4047 7.4047 7.7454 7.7454 8.7745 8.7745 9.3041 9.3041 10.0397 10.0397 k = 0.3302-0.8198-0.4852 ( 3874 PWs) bands (ev): -42.2383 -42.2383 -42.2187 -42.2187 -21.2306 -21.2306 -21.1858 -21.1858 -20.7534 -20.7534 -20.7163 -20.7163 -20.6723 -20.6723 -20.6105 -20.6105 -9.0093 -9.0093 -8.9011 -8.9011 1.7099 1.7099 1.8388 1.8388 2.2089 2.2089 2.7719 2.7719 3.3057 3.3057 3.4367 3.4367 6.2737 6.2737 7.3995 7.3995 7.7115 7.7115 8.7512 8.7512 9.3217 9.3217 10.0889 10.0946 k = 0.3396-0.8432-0.4990 ( 3867 PWs) bands (ev): -42.2375 -42.2375 -42.2185 -42.2185 -21.2314 -21.2314 -21.1889 -21.1889 -20.7544 -20.7544 -20.7188 -20.7188 -20.6732 -20.6732 -20.6114 -20.6114 -8.9940 -8.9940 -8.8899 -8.8899 1.6624 1.6624 1.7919 1.7919 2.2278 2.2278 2.7775 2.7775 3.2932 3.2932 3.4241 3.4241 6.3132 6.3132 7.3942 7.3942 7.6785 7.6785 8.7285 8.7285 9.3387 9.3387 10.1363 10.1363 k = 0.3491-0.8667-0.5129 ( 3865 PWs) bands (ev): -42.2367 -42.2367 -42.2184 -42.2184 -21.2323 -21.2323 -21.1919 -21.1919 -20.7554 -20.7554 -20.7213 -20.7213 -20.6740 -20.6740 -20.6124 -20.6124 -8.9791 -8.9791 -8.8791 -8.8791 1.6155 1.6155 1.7458 1.7458 2.2490 2.2490 2.7825 2.7825 3.2812 3.2812 3.4119 3.4119 6.3536 6.3536 7.3887 7.3887 7.6464 7.6464 8.7064 8.7064 9.3549 9.3549 10.1954 10.2089 k = 0.3585-0.8901-0.5268 ( 3870 PWs) bands (ev): -42.2359 -42.2359 -42.2183 -42.2183 -21.2330 -21.2330 -21.1948 -21.1948 -20.7563 -20.7563 -20.7238 -20.7238 -20.6745 -20.6745 -20.6134 -20.6134 -8.9648 -8.9648 -8.8688 -8.8688 1.5700 1.5700 1.7011 1.7011 2.2712 2.2712 2.7868 2.7868 3.2698 3.2698 3.4003 3.4003 6.3947 6.3947 7.3830 7.3830 7.6153 7.6153 8.6850 8.6850 9.3703 9.3703 10.2583 10.2647 k = 0.3679-0.9135-0.5406 ( 3870 PWs) bands (ev): -42.2351 -42.2351 -42.2182 -42.2182 -21.2338 -21.2338 -21.1977 -21.1977 -20.7572 -20.7572 -20.7262 -20.7262 -20.6749 -20.6749 -20.6144 -20.6144 -8.9510 -8.9510 -8.8590 -8.8590 1.5263 1.5263 1.6583 1.6583 2.2938 2.2938 2.7905 2.7905 3.2590 3.2590 3.3892 3.3892 6.4366 6.4366 7.3769 7.3769 7.5851 7.5851 8.6644 8.6644 9.3848 9.3848 10.3071 10.3098 k = 0.3774-0.9369-0.5545 ( 3872 PWs) bands (ev): -42.2344 -42.2344 -42.2181 -42.2181 -21.2344 -21.2344 -21.2005 -21.2005 -20.7581 -20.7581 -20.7285 -20.7285 -20.6752 -20.6752 -20.6153 -20.6153 -8.9377 -8.9377 -8.8497 -8.8497 1.4848 1.4848 1.6176 1.6176 2.3161 2.3161 2.7936 2.7936 3.2488 3.2488 3.3787 3.3787 6.4790 6.4790 7.3702 7.3702 7.5559 7.5559 8.6447 8.6447 9.3985 9.3985 10.3443 10.3446 k = 0.3868-0.9604-0.5684 ( 3872 PWs) bands (ev): -42.2337 -42.2337 -42.2180 -42.2180 -21.2350 -21.2350 -21.2031 -21.2031 -20.7589 -20.7589 -20.7307 -20.7307 -20.6753 -20.6753 -20.6163 -20.6163 -8.9252 -8.9252 -8.8411 -8.8411 1.4458 1.4458 1.5792 1.5792 2.3378 2.3378 2.7962 2.7962 3.2393 3.2393 3.3689 3.3689 6.5220 6.5220 7.3628 7.3628 7.5278 7.5278 8.6260 8.6260 9.4112 9.4112 10.3782 10.3782 k = 0.3962-0.9838-0.5822 ( 3867 PWs) bands (ev): -42.2331 -42.2331 -42.2180 -42.2180 -21.2355 -21.2355 -21.2056 -21.2056 -20.7596 -20.7596 -20.7327 -20.7327 -20.6753 -20.6753 -20.6172 -20.6172 -8.9133 -8.9133 -8.8331 -8.8331 1.4094 1.4094 1.5434 1.5434 2.3586 2.3586 2.7981 2.7981 3.2304 3.2304 3.3597 3.3597 6.5654 6.5654 7.3542 7.3542 7.5009 7.5009 8.6083 8.6083 9.4229 9.4229 10.4103 10.4103 k = 0.4057-1.0072-0.5961 ( 3864 PWs) bands (ev): -42.2324 -42.2324 -42.2180 -42.2180 -21.2360 -21.2360 -21.2080 -21.2080 -20.7603 -20.7603 -20.7347 -20.7347 -20.6753 -20.6753 -20.6181 -20.6181 -8.9022 -8.9022 -8.8257 -8.8257 1.3758 1.3758 1.5104 1.5104 2.3783 2.3783 2.7996 2.7996 3.2222 3.2222 3.3512 3.3512 6.6090 6.6090 7.3441 7.3441 7.4758 7.4758 8.5919 8.5919 9.4337 9.4337 10.4407 10.4407 k = 0.4151-1.0306-0.6099 ( 3859 PWs) bands (ev): -42.2319 -42.2319 -42.2179 -42.2179 -21.2363 -21.2363 -21.2103 -21.2103 -20.7608 -20.7608 -20.7365 -20.7365 -20.6751 -20.6751 -20.6189 -20.6189 -8.8920 -8.8920 -8.8190 -8.8190 1.3451 1.3451 1.4801 1.4801 2.3967 2.3967 2.8005 2.8005 3.2148 3.2148 3.3435 3.3435 6.6527 6.6527 7.3316 7.3316 7.4530 7.4530 8.5766 8.5766 9.4434 9.4434 10.4694 10.4694 k = 0.4245-1.0541-0.6238 ( 3854 PWs) bands (ev): -42.2313 -42.2313 -42.2179 -42.2179 -21.2366 -21.2366 -21.2124 -21.2124 -20.7613 -20.7613 -20.7382 -20.7382 -20.6750 -20.6750 -20.6197 -20.6197 -8.8826 -8.8826 -8.8130 -8.8130 1.3174 1.3174 1.4528 1.4528 2.4137 2.4137 2.8011 2.8011 3.2081 3.2081 3.3365 3.3365 6.6962 6.6962 7.3160 7.3160 7.4333 7.4333 8.5627 8.5627 9.4521 9.4521 10.4961 10.4961 k = 0.4340-1.0775-0.6377 ( 3856 PWs) bands (ev): -42.2308 -42.2308 -42.2179 -42.2179 -21.2368 -21.2368 -21.2143 -21.2143 -20.7618 -20.7618 -20.7397 -20.7397 -20.6748 -20.6748 -20.6204 -20.6204 -8.8742 -8.8742 -8.8077 -8.8077 1.2927 1.2927 1.4285 1.4285 2.4291 2.4291 2.8013 2.8013 3.2021 3.2021 3.3302 3.3302 6.7394 6.7394 7.2969 7.2969 7.4172 7.4172 8.5502 8.5502 9.4598 9.4598 10.5207 10.5207 k = 0.4434-1.1009-0.6515 ( 3858 PWs) bands (ev): -42.2304 -42.2304 -42.2180 -42.2180 -21.2369 -21.2369 -21.2160 -21.2160 -20.7622 -20.7622 -20.7411 -20.7411 -20.6746 -20.6746 -20.6211 -20.6211 -8.8667 -8.8667 -8.8032 -8.8032 1.2712 1.2712 1.4073 1.4073 2.4427 2.4427 2.8012 2.8012 3.1969 3.1969 3.3248 3.3248 6.7819 6.7819 7.2742 7.2742 7.4047 7.4047 8.5391 8.5391 9.4665 9.4665 10.5429 10.5429 k = 0.4528-1.1243-0.6654 ( 3853 PWs) bands (ev): -42.2300 -42.2300 -42.2180 -42.2180 -21.2370 -21.2370 -21.2175 -21.2175 -20.7624 -20.7624 -20.7423 -20.7423 -20.6744 -20.6744 -20.6217 -20.6217 -8.8603 -8.8603 -8.7993 -8.7993 1.2529 1.2529 1.3893 1.3893 2.4546 2.4546 2.8010 2.8010 3.1925 3.1925 3.3201 3.3201 6.8233 6.8233 7.2488 7.2488 7.3953 7.3953 8.5296 8.5296 9.4721 9.4721 10.5625 10.5625 k = 0.4623-1.1477-0.6792 ( 3851 PWs) bands (ev): -42.2297 -42.2297 -42.2180 -42.2180 -21.2370 -21.2370 -21.2188 -21.2188 -20.7627 -20.7627 -20.7432 -20.7432 -20.6742 -20.6742 -20.6221 -20.6221 -8.8550 -8.8550 -8.7962 -8.7962 1.2378 1.2378 1.3744 1.3744 2.4644 2.4644 2.8006 2.8006 3.1888 3.1888 3.3163 3.3163 6.8630 6.8630 7.2217 7.2217 7.3884 7.3884 8.5218 8.5218 9.4767 9.4767 10.5792 10.5792 k = 0.4717-1.1712-0.6931 ( 3854 PWs) bands (ev): -42.2295 -42.2295 -42.2180 -42.2180 -21.2370 -21.2370 -21.2199 -21.2199 -20.7629 -20.7629 -20.7440 -20.7440 -20.6740 -20.6740 -20.6225 -20.6225 -8.8508 -8.8508 -8.7938 -8.7938 1.2261 1.2261 1.3629 1.3629 2.4722 2.4722 2.8003 2.8003 3.1860 3.1860 3.3133 3.3133 6.8998 6.8998 7.1942 7.1942 7.3835 7.3835 8.5156 8.5156 9.4803 9.4803 10.5928 10.5928 k = 0.4811-1.1946-0.7070 ( 3856 PWs) bands (ev): -42.2293 -42.2293 -42.2180 -42.2180 -21.2370 -21.2370 -21.2206 -21.2206 -20.7630 -20.7630 -20.7446 -20.7446 -20.6739 -20.6739 -20.6228 -20.6228 -8.8477 -8.8477 -8.7920 -8.7920 1.2177 1.2177 1.3546 1.3546 2.4778 2.4778 2.7999 2.7999 3.1839 3.1839 3.3112 3.3112 6.9319 6.9319 7.1687 7.1687 7.3802 7.3802 8.5112 8.5112 9.4828 9.4828 10.6029 10.6029 k = 0.4906-1.2180-0.7208 ( 3862 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2211 -21.2211 -20.7631 -20.7631 -20.7449 -20.7449 -20.6739 -20.6739 -20.6230 -20.6230 -8.8459 -8.8459 -8.7910 -8.7910 1.2126 1.2126 1.3496 1.3496 2.4812 2.4812 2.7997 2.7997 3.1827 3.1827 3.3099 3.3099 6.9555 6.9555 7.1490 7.1490 7.3783 7.3783 8.5085 8.5085 9.4843 9.4843 10.6091 10.6091 k = 0.5000-1.2414-0.7347 ( 3862 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8453 -8.8453 -8.7907 -8.7907 1.2109 1.2109 1.3479 1.3479 2.4824 2.4824 2.7996 2.7996 3.1823 3.1823 3.3095 3.3095 6.9646 6.9646 7.1412 7.1412 7.3777 7.3777 8.5076 8.5076 9.4849 9.4849 10.6112 10.6112 k = 0.5000-1.2414-0.7347 ( 3862 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8453 -8.8453 -8.7907 -8.7907 1.2109 1.2109 1.3479 1.3479 2.4824 2.4824 2.7996 2.7996 3.1823 3.1823 3.3095 3.3095 6.9646 6.9646 7.1412 7.1412 7.3777 7.3777 8.5076 8.5076 9.4849 9.4849 10.6112 10.6112 k = 0.5000-1.2268-0.7594 ( 3852 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6231 -20.6231 -8.8451 -8.8451 -8.7905 -8.7905 1.2118 1.2118 1.3487 1.3487 2.4826 2.4826 2.7995 2.7995 3.1799 3.1799 3.3073 3.3073 6.9649 6.9649 7.1417 7.1417 7.3780 7.3780 8.5098 8.5098 9.4851 9.4851 10.6087 10.6087 k = 0.5000-1.2121-0.7842 ( 3856 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7632 -20.7632 -20.7451 -20.7451 -20.6739 -20.6739 -20.6233 -20.6233 -8.8446 -8.8446 -8.7902 -8.7902 1.2142 1.2142 1.3510 1.3510 2.4832 2.4832 2.7992 2.7992 3.1727 3.1727 3.3007 3.3007 6.9658 6.9658 7.1431 7.1431 7.3790 7.3790 8.5163 8.5163 9.4859 9.4859 10.6015 10.6015 k = 0.5000-1.1975-0.8090 ( 3852 PWs) bands (ev): -42.2290 -42.2290 -42.2181 -42.2181 -21.2369 -21.2369 -21.2213 -21.2213 -20.7633 -20.7633 -20.7451 -20.7451 -20.6740 -20.6740 -20.6236 -20.6236 -8.8437 -8.8437 -8.7895 -8.7895 1.2183 1.2183 1.3549 1.3549 2.4841 2.4841 2.7987 2.7987 3.1608 3.1608 3.2898 3.2898 6.9674 6.9674 7.1455 7.1455 7.3805 7.3805 8.5271 8.5271 9.4872 9.4872 10.5902 10.5902 k = 0.5000-1.1828-0.8337 ( 3850 PWs) bands (ev): -42.2290 -42.2290 -42.2181 -42.2181 -21.2369 -21.2369 -21.2213 -21.2213 -20.7635 -20.7635 -20.7452 -20.7452 -20.6741 -20.6741 -20.6240 -20.6240 -8.8425 -8.8425 -8.7887 -8.7887 1.2240 1.2240 1.3602 1.3602 2.4854 2.4854 2.7979 2.7979 3.1445 3.1445 3.2747 3.2747 6.9695 6.9695 7.1489 7.1489 7.3827 7.3827 8.5420 8.5420 9.4890 9.4890 10.5756 10.5756 k = 0.5000-1.1682-0.8585 ( 3850 PWs) bands (ev): -42.2288 -42.2288 -42.2181 -42.2181 -21.2368 -21.2368 -21.2213 -21.2213 -20.7637 -20.7637 -20.7452 -20.7452 -20.6743 -20.6743 -20.6246 -20.6246 -8.8409 -8.8409 -8.7876 -8.7876 1.2314 1.2314 1.3672 1.3672 2.4870 2.4870 2.7967 2.7967 3.1239 3.1239 3.2556 3.2556 6.9722 6.9722 7.1531 7.1531 7.3854 7.3854 8.5610 8.5610 9.4913 9.4913 10.5586 10.5586 k = 0.5000-1.1536-0.8832 ( 3850 PWs) bands (ev): -42.2287 -42.2287 -42.2181 -42.2181 -21.2368 -21.2368 -21.2214 -21.2214 -20.7640 -20.7640 -20.7453 -20.7453 -20.6746 -20.6746 -20.6253 -20.6253 -8.8390 -8.8390 -8.7863 -8.7863 1.2403 1.2403 1.3756 1.3756 2.4889 2.4889 2.7949 2.7949 3.0995 3.0995 3.2327 3.2327 6.9754 6.9754 7.1583 7.1583 7.3886 7.3886 8.5837 8.5837 9.4942 9.4942 10.5402 10.5402 k = 0.5000-1.1389-0.9080 ( 3850 PWs) bands (ev): -42.2286 -42.2286 -42.2181 -42.2181 -21.2367 -21.2367 -21.2214 -21.2214 -20.7643 -20.7643 -20.7454 -20.7454 -20.6748 -20.6748 -20.6260 -20.6260 -8.8368 -8.8368 -8.7848 -8.7848 1.2508 1.2508 1.3855 1.3855 2.4910 2.4910 2.7923 2.7923 3.0718 3.0718 3.2062 3.2062 6.9792 6.9792 7.1643 7.1643 7.3923 7.3923 8.6101 8.6101 9.4976 9.4976 10.5209 10.5210 k = 0.5000-1.1243-0.9327 ( 3844 PWs) bands (ev): -42.2284 -42.2284 -42.2181 -42.2181 -21.2366 -21.2366 -21.2214 -21.2214 -20.7647 -20.7647 -20.7455 -20.7455 -20.6751 -20.6751 -20.6269 -20.6269 -8.8343 -8.8343 -8.7831 -8.7831 1.2629 1.2629 1.3970 1.3970 2.4931 2.4931 2.7885 2.7885 3.0415 3.0415 3.1765 3.1765 6.9834 6.9834 7.1710 7.1710 7.3965 7.3965 8.6399 8.6399 9.5017 9.5017 10.5015 10.5015 k = 0.5000-1.1096-0.9575 ( 3838 PWs) bands (ev): -42.2282 -42.2282 -42.2181 -42.2181 -21.2365 -21.2365 -21.2215 -21.2215 -20.7651 -20.7651 -20.7455 -20.7455 -20.6754 -20.6754 -20.6278 -20.6278 -8.8315 -8.8315 -8.7812 -8.7812 1.2765 1.2765 1.4099 1.4099 2.4952 2.4952 2.7828 2.7828 3.0094 3.0094 3.1440 3.1440 6.9881 6.9881 7.1785 7.1785 7.4010 7.4010 8.6728 8.6728 9.5063 9.5063 10.4824 10.4831 k = 0.5000-1.0950-0.9822 ( 3838 PWs) bands (ev): -42.2280 -42.2280 -42.2182 -42.2182 -21.2363 -21.2363 -21.2215 -21.2215 -20.7656 -20.7656 -20.7456 -20.7456 -20.6757 -20.6757 -20.6289 -20.6289 -8.8285 -8.8285 -8.7792 -8.7792 1.2916 1.2916 1.4242 1.4242 2.4972 2.4972 2.7744 2.7744 2.9768 2.9768 3.1090 3.1090 6.9932 6.9932 7.1866 7.1866 7.4058 7.4058 8.7086 8.7086 9.5116 9.5116 10.4651 10.5052 k = 0.5000-1.0803-1.0070 ( 3838 PWs) bands (ev): -42.2277 -42.2277 -42.2182 -42.2182 -21.2362 -21.2362 -21.2216 -21.2216 -20.7662 -20.7662 -20.7456 -20.7456 -20.6760 -20.6760 -20.6299 -20.6299 -8.8252 -8.8252 -8.7770 -8.7770 1.3081 1.3081 1.4400 1.4400 2.4987 2.4987 2.7617 2.7617 2.9455 2.9455 3.0721 3.0721 6.9986 6.9986 7.1954 7.1954 7.4107 7.4107 8.7471 8.7471 9.5174 9.5174 10.4531 10.4703 k = 0.5000-1.0657-1.0317 ( 3842 PWs) bands (ev): -42.2275 -42.2275 -42.2182 -42.2182 -21.2361 -21.2361 -21.2217 -21.2217 -20.7668 -20.7668 -20.7457 -20.7457 -20.6764 -20.6764 -20.6311 -20.6311 -8.8217 -8.8217 -8.7747 -8.7747 1.3261 1.3261 1.4573 1.4573 2.4996 2.4996 2.7430 2.7430 2.9175 2.9175 3.0339 3.0339 7.0044 7.0044 7.2047 7.2047 7.4158 7.4158 8.7881 8.7881 9.5240 9.5240 10.4300 10.4320 k = 0.5000-1.0510-1.0565 ( 3850 PWs) bands (ev): -42.2272 -42.2272 -42.2183 -42.2183 -21.2360 -21.2360 -21.2219 -21.2219 -20.7675 -20.7675 -20.7458 -20.7458 -20.6767 -20.6767 -20.6323 -20.6323 -8.8180 -8.8180 -8.7724 -8.7724 1.3455 1.3455 1.4759 1.4759 2.4995 2.4995 2.7169 2.7169 2.8944 2.8944 2.9950 2.9950 7.0104 7.0104 7.2145 7.2145 7.4208 7.4208 8.8312 8.8312 9.5311 9.5311 10.4066 10.4066 k = 0.5000-1.0364-1.0812 ( 3850 PWs) bands (ev): -42.2269 -42.2269 -42.2184 -42.2184 -21.2359 -21.2359 -21.2220 -21.2220 -20.7683 -20.7683 -20.7458 -20.7458 -20.6770 -20.6770 -20.6336 -20.6336 -8.8141 -8.8141 -8.7700 -8.7700 1.3662 1.3662 1.4958 1.4958 2.4979 2.4979 2.6833 2.6833 2.8765 2.8765 2.9567 2.9567 7.0167 7.0167 7.2248 7.2248 7.4258 7.4258 8.8764 8.8764 9.5389 9.5389 10.3698 10.3698 k = 0.5000-1.0217-1.1060 ( 3852 PWs) bands (ev): -42.2266 -42.2266 -42.2184 -42.2184 -21.2358 -21.2358 -21.2221 -21.2221 -20.7690 -20.7690 -20.7458 -20.7458 -20.6773 -20.6773 -20.6348 -20.6348 -8.8101 -8.8101 -8.7675 -8.7675 1.3883 1.3883 1.5172 1.5172 2.4942 2.4942 2.6435 2.6435 2.8619 2.8619 2.9205 2.9205 7.0233 7.0233 7.2353 7.2353 7.4304 7.4304 8.9234 8.9234 9.5474 9.5474 10.3307 10.3307 k = 0.5000-1.0071-1.1307 ( 3852 PWs) bands (ev): -42.2263 -42.2263 -42.2185 -42.2185 -21.2357 -21.2357 -21.2223 -21.2223 -20.7698 -20.7698 -20.7459 -20.7459 -20.6775 -20.6775 -20.6361 -20.6361 -8.8059 -8.8059 -8.7651 -8.7651 1.4115 1.4115 1.5398 1.5398 2.4875 2.4875 2.5993 2.5993 2.8469 2.8469 2.8898 2.8898 7.0300 7.0300 7.2462 7.2462 7.4348 7.4348 8.9719 8.9719 9.5564 9.5564 10.2905 10.2906 k = 0.5000-0.9924-1.1555 ( 3854 PWs) bands (ev): -42.2260 -42.2260 -42.2186 -42.2186 -21.2356 -21.2356 -21.2225 -21.2225 -20.7706 -20.7706 -20.7460 -20.7460 -20.6777 -20.6777 -20.6374 -20.6374 -8.8017 -8.8017 -8.7627 -8.7627 1.4359 1.4359 1.5637 1.5637 2.4767 2.4767 2.5524 2.5524 2.8265 2.8265 2.8697 2.8697 7.0369 7.0369 7.2572 7.2572 7.4386 7.4386 9.0219 9.0219 9.5661 9.5661 10.2497 10.2497 k = 0.5000-0.9778-1.1802 ( 3852 PWs) bands (ev): -42.2257 -42.2257 -42.2187 -42.2187 -21.2355 -21.2355 -21.2227 -21.2227 -20.7714 -20.7714 -20.7460 -20.7460 -20.6779 -20.6779 -20.6387 -20.6387 -8.7974 -8.7974 -8.7604 -8.7604 1.4614 1.4614 1.5889 1.5889 2.4601 2.4601 2.5047 2.5047 2.8025 2.8025 2.8588 2.8588 7.0440 7.0440 7.2685 7.2685 7.4418 7.4418 9.0730 9.0730 9.5763 9.5763 10.2085 10.2085 k = 0.5000-0.9631-1.2050 ( 3846 PWs) bands (ev): -42.2253 -42.2253 -42.2188 -42.2188 -21.2354 -21.2354 -21.2229 -21.2229 -20.7723 -20.7723 -20.7461 -20.7461 -20.6780 -20.6780 -20.6399 -20.6399 -8.7931 -8.7931 -8.7582 -8.7582 1.4879 1.4879 1.6153 1.6153 2.4341 2.4341 2.4602 2.4602 2.7803 2.7803 2.8520 2.8520 7.0511 7.0511 7.2798 7.2798 7.4442 7.4442 9.1251 9.1251 9.5870 9.5870 10.1674 10.1674 k = 0.5000-0.9485-1.2297 ( 3842 PWs) bands (ev): -42.2250 -42.2250 -42.2189 -42.2189 -21.2353 -21.2353 -21.2231 -21.2231 -20.7730 -20.7730 -20.7462 -20.7462 -20.6780 -20.6780 -20.6412 -20.6412 -8.7888 -8.7888 -8.7561 -8.7561 1.5153 1.5153 1.6429 1.6429 2.3934 2.3934 2.4244 2.4244 2.7625 2.7625 2.8469 2.8469 7.0583 7.0583 7.2912 7.2912 7.4457 7.4457 9.1777 9.1777 9.5981 9.5981 10.1266 10.1266 k = 0.5000-0.9338-1.2545 ( 3842 PWs) bands (ev): -42.2246 -42.2246 -42.2190 -42.2190 -21.2351 -21.2351 -21.2233 -21.2233 -20.7738 -20.7738 -20.7463 -20.7463 -20.6780 -20.6780 -20.6424 -20.6424 -8.7845 -8.7845 -8.7543 -8.7543 1.5434 1.5434 1.6716 1.6716 2.3456 2.3456 2.3906 2.3906 2.7497 2.7497 2.8425 2.8425 7.0655 7.0655 7.3025 7.3025 7.4462 7.4462 9.2306 9.2306 9.6095 9.6095 10.0866 10.0866 k = 0.5000-0.9192-1.2792 ( 3836 PWs) bands (ev): -42.2243 -42.2243 -42.2192 -42.2192 -21.2350 -21.2350 -21.2236 -21.2236 -20.7745 -20.7745 -20.7464 -20.7464 -20.6780 -20.6780 -20.6435 -20.6435 -8.7804 -8.7804 -8.7526 -8.7526 1.5721 1.5721 1.7014 1.7014 2.2970 2.2970 2.3542 2.3542 2.7414 2.7414 2.8384 2.8384 7.0726 7.0726 7.3137 7.3137 7.4456 7.4456 9.2833 9.2833 9.6210 9.6210 10.0479 10.0479 k = 0.5000-0.9045-1.3040 ( 3838 PWs) bands (ev): -42.2239 -42.2239 -42.2194 -42.2194 -21.2349 -21.2349 -21.2239 -21.2239 -20.7752 -20.7752 -20.7465 -20.7465 -20.6779 -20.6779 -20.6446 -20.6446 -8.7763 -8.7763 -8.7512 -8.7512 1.6012 1.6012 1.7322 1.7322 2.2492 2.2492 2.3150 2.3150 2.7369 2.7369 2.8343 2.8343 7.0796 7.0796 7.3248 7.3248 7.4438 7.4438 9.3350 9.3350 9.6325 9.6325 10.0110 10.0110 k = 0.5000-0.8899-1.3287 ( 3832 PWs) bands (ev): -42.2235 -42.2235 -42.2195 -42.2195 -21.2348 -21.2348 -21.2241 -21.2241 -20.7758 -20.7758 -20.7467 -20.7467 -20.6777 -20.6777 -20.6455 -20.6455 -8.7724 -8.7724 -8.7500 -8.7500 1.6302 1.6302 1.7640 1.7640 2.2030 2.2030 2.2741 2.2741 2.7353 2.7353 2.8301 2.8301 7.0863 7.0863 7.3358 7.3358 7.4408 7.4408 9.3849 9.3849 9.6436 9.6436 9.9766 9.9766 k = 0.5000-0.8752-1.3535 ( 3824 PWs) bands (ev): -42.2232 -42.2232 -42.2198 -42.2198 -21.2347 -21.2347 -21.2244 -21.2244 -20.7763 -20.7763 -20.7468 -20.7468 -20.6775 -20.6775 -20.6464 -20.6464 -8.7687 -8.7687 -8.7492 -8.7492 1.6589 1.6589 1.7967 1.7967 2.1592 2.1592 2.2322 2.2322 2.7360 2.7360 2.8258 2.8258 7.0926 7.0926 7.3465 7.3465 7.4367 7.4367 9.4316 9.4316 9.6543 9.6543 9.9457 9.9457 k = 0.5000-0.8606-1.3782 ( 3828 PWs) bands (ev): -42.2228 -42.2228 -42.2200 -42.2200 -21.2347 -21.2347 -21.2246 -21.2246 -20.7768 -20.7768 -20.7469 -20.7469 -20.6774 -20.6774 -20.6472 -20.6472 -8.7653 -8.7653 -8.7487 -8.7487 1.6864 1.6864 1.8302 1.8302 2.1185 2.1185 2.1901 2.1901 2.7383 2.7383 2.8212 2.8212 7.0984 7.0984 7.3569 7.3569 7.4313 7.4313 9.4734 9.4734 9.6640 9.6640 9.9196 9.9196 k = 0.5000-0.8459-1.4030 ( 3830 PWs) bands (ev): -42.2224 -42.2224 -42.2202 -42.2202 -21.2346 -21.2346 -21.2248 -21.2248 -20.7772 -20.7772 -20.7471 -20.7471 -20.6772 -20.6772 -20.6479 -20.6479 -8.7621 -8.7621 -8.7486 -8.7486 1.7118 1.7118 1.8645 1.8645 2.0820 2.0820 2.1489 2.1489 2.7418 2.7418 2.8163 2.8163 7.1034 7.1034 7.3669 7.3669 7.4251 7.4251 9.5079 9.5079 9.6726 9.6726 9.8997 9.8997 k = 0.5000-0.8313-1.4277 ( 3840 PWs) bands (ev): -42.2221 -42.2221 -42.2205 -42.2205 -21.2345 -21.2345 -21.2251 -21.2251 -20.7775 -20.7775 -20.7472 -20.7472 -20.6770 -20.6770 -20.6484 -20.6484 -8.7593 -8.7593 -8.7489 -8.7489 1.7334 1.7334 1.8992 1.8992 2.0508 2.0508 2.1097 2.1097 2.7462 2.7462 2.8111 2.8111 7.1073 7.1073 7.3765 7.3765 7.4180 7.4180 9.5329 9.5329 9.6797 9.6797 9.8875 9.8875 k = 0.5000-0.8166-1.4525 ( 3840 PWs) bands (ev): -42.2217 -42.2217 -42.2208 -42.2208 -21.2345 -21.2345 -21.2252 -21.2252 -20.7777 -20.7777 -20.7473 -20.7473 -20.6769 -20.6769 -20.6488 -20.6488 -8.7568 -8.7568 -8.7496 -8.7496 1.7492 1.7492 1.9340 1.9340 2.0250 2.0250 2.0753 2.0753 2.7512 2.7512 2.8056 2.8056 7.1097 7.1097 7.3856 7.3856 7.4106 7.4106 9.5466 9.5466 9.6849 9.6849 9.8831 9.8831 k = 0.5000-0.8020-1.4772 ( 3846 PWs) bands (ev): -42.2214 -42.2214 -42.2211 -42.2211 -21.2345 -21.2345 -21.2253 -21.2253 -20.7778 -20.7778 -20.7474 -20.7474 -20.6769 -20.6769 -20.6489 -20.6489 -8.7550 -8.7550 -8.7506 -8.7506 1.7569 1.7569 1.9681 1.9681 2.0005 2.0005 2.0533 2.0533 2.7566 2.7566 2.8000 2.8000 7.1102 7.1102 7.3939 7.3939 7.4037 7.4037 9.5493 9.5493 9.6880 9.6880 9.8848 9.8848 k = 0.5000-0.7873-1.5020 ( 3848 PWs) bands (ev): -42.2214 -42.2214 -42.2211 -42.2211 -21.2345 -21.2345 -21.2253 -21.2253 -20.7778 -20.7778 -20.7474 -20.7474 -20.6769 -20.6769 -20.6489 -20.6489 -8.7546 -8.7546 -8.7510 -8.7510 1.7553 1.7553 1.9711 1.9711 1.9999 1.9999 2.0530 2.0530 2.7621 2.7621 2.7942 2.7942 7.1083 7.1083 7.3952 7.3952 7.4038 7.4038 9.5432 9.5432 9.6887 9.6887 9.8890 9.8890 k = 0.5000-0.7727-1.5267 ( 3842 PWs) bands (ev): -42.2218 -42.2218 -42.2207 -42.2207 -21.2345 -21.2345 -21.2252 -21.2252 -20.7777 -20.7777 -20.7473 -20.7473 -20.6769 -20.6769 -20.6487 -20.6487 -8.7562 -8.7562 -8.7504 -8.7504 1.7458 1.7458 1.9390 1.9390 2.0275 2.0275 2.0729 2.0729 2.7673 2.7673 2.7888 2.7888 7.1034 7.1034 7.3900 7.3900 7.4109 7.4109 9.5310 9.5310 9.6870 9.6870 9.8920 9.8920 k = 0.8249-0.7097-1.4120 ( 3842 PWs) bands (ev): -42.2218 -42.2218 -42.2207 -42.2207 -21.2345 -21.2345 -21.2252 -21.2252 -20.7777 -20.7777 -20.7473 -20.7473 -20.6769 -20.6769 -20.6487 -20.6487 -8.7562 -8.7562 -8.7504 -8.7504 1.7458 1.7458 1.9390 1.9390 2.0275 2.0275 2.0729 2.0729 2.7673 2.7673 2.7888 2.7888 7.1034 7.1034 7.3900 7.3900 7.4109 7.4109 9.5310 9.5310 9.6870 9.6870 9.8920 9.8920 k = 0.8194-0.6961-1.3871 ( 3846 PWs) bands (ev): -42.2222 -42.2222 -42.2204 -42.2204 -21.2346 -21.2346 -21.2250 -21.2250 -20.7775 -20.7775 -20.7472 -20.7472 -20.6771 -20.6771 -20.6483 -20.6483 -8.7590 -8.7590 -8.7498 -8.7498 1.7309 1.7309 1.9068 1.9068 2.0541 2.0541 2.1046 2.1046 2.7707 2.7707 2.7850 2.7850 7.0947 7.0947 7.3862 7.3862 7.4179 7.4179 9.5152 9.5152 9.6826 9.6826 9.8910 9.8910 k = 0.8139-0.6824-1.3622 ( 3840 PWs) bands (ev): -42.2226 -42.2226 -42.2201 -42.2201 -21.2347 -21.2347 -21.2246 -21.2246 -20.7771 -20.7771 -20.7470 -20.7470 -20.6773 -20.6773 -20.6478 -20.6478 -8.7625 -8.7625 -8.7495 -8.7495 1.7134 1.7134 1.8761 1.8761 2.0826 2.0826 2.1412 2.1412 2.7692 2.7692 2.7862 2.7862 7.0820 7.0820 7.3846 7.3846 7.4243 7.4243 9.4976 9.4976 9.6757 9.6757 9.8851 9.8851 k = 0.8084-0.6687-1.3373 ( 3842 PWs) bands (ev): -42.2230 -42.2230 -42.2198 -42.2198 -21.2348 -21.2348 -21.2242 -21.2242 -20.7767 -20.7767 -20.7467 -20.7467 -20.6776 -20.6776 -20.6470 -20.6470 -8.7666 -8.7666 -8.7497 -8.7497 1.6952 1.6952 1.8475 1.8475 2.1132 2.1132 2.1798 2.1798 2.7642 2.7642 2.7908 2.7908 7.0651 7.0651 7.3855 7.3855 7.4301 7.4301 9.4795 9.4795 9.6663 9.6663 9.8745 9.8745 k = 0.8029-0.6550-1.3124 ( 3842 PWs) bands (ev): -42.2235 -42.2235 -42.2196 -42.2196 -21.2349 -21.2349 -21.2236 -21.2236 -20.7762 -20.7762 -20.7463 -20.7463 -20.6780 -20.6780 -20.6461 -20.6461 -8.7714 -8.7714 -8.7504 -8.7504 1.6778 1.6778 1.8213 1.8213 2.1451 2.1451 2.2195 2.2195 2.7584 2.7584 2.7963 2.7963 7.0440 7.0440 7.3890 7.3890 7.4352 7.4352 9.4617 9.4617 9.6548 9.6548 9.8599 9.8599 k = 0.7973-0.6414-1.2875 ( 3846 PWs) bands (ev): -42.2240 -42.2240 -42.2193 -42.2193 -21.2350 -21.2350 -21.2229 -21.2229 -20.7755 -20.7755 -20.7459 -20.7459 -20.6784 -20.6784 -20.6450 -20.6450 -8.7769 -8.7769 -8.7517 -8.7517 1.6619 1.6619 1.7977 1.7977 2.1775 2.1775 2.2598 2.2598 2.7526 2.7526 2.8021 2.8021 7.0189 7.0189 7.3950 7.3950 7.4397 7.4397 9.4447 9.4447 9.6413 9.6413 9.8423 9.8423 k = 0.7918-0.6277-1.2626 ( 3846 PWs) bands (ev): -42.2245 -42.2245 -42.2191 -42.2191 -21.2352 -21.2352 -21.2221 -21.2221 -20.7748 -20.7748 -20.7453 -20.7453 -20.6789 -20.6789 -20.6438 -20.6438 -8.7830 -8.7830 -8.7536 -8.7536 1.6481 1.6481 1.7769 1.7769 2.2099 2.2099 2.3005 2.3005 2.7474 2.7474 2.8078 2.8078 6.9902 6.9902 7.4032 7.4032 7.4434 7.4434 9.4288 9.4288 9.6262 9.6262 9.8223 9.8223 k = 0.7863-0.6140-1.2377 ( 3854 PWs) bands (ev): -42.2250 -42.2250 -42.2189 -42.2189 -21.2353 -21.2353 -21.2211 -21.2211 -20.7740 -20.7740 -20.7447 -20.7447 -20.6794 -20.6794 -20.6426 -20.6426 -8.7898 -8.7898 -8.7561 -8.7561 1.6367 1.6367 1.7590 1.7590 2.2414 2.2414 2.3413 2.3413 2.7432 2.7432 2.8134 2.8134 6.9583 6.9583 7.4135 7.4135 7.4466 7.4466 9.4143 9.4143 9.6097 9.6097 9.8008 9.8008 k = 0.7808-0.6004-1.2128 ( 3856 PWs) bands (ev): -42.2256 -42.2256 -42.2187 -42.2187 -21.2354 -21.2354 -21.2200 -21.2200 -20.7730 -20.7730 -20.7439 -20.7439 -20.6799 -20.6799 -20.6412 -20.6412 -8.7973 -8.7973 -8.7592 -8.7592 1.6279 1.6279 1.7440 1.7440 2.2715 2.2715 2.3821 2.3821 2.7404 2.7404 2.8190 2.8190 6.9237 6.9237 7.4257 7.4257 7.4492 7.4492 9.4011 9.4011 9.5922 9.5922 9.7782 9.7782 k = 0.7753-0.5867-1.1879 ( 3856 PWs) bands (ev): -42.2262 -42.2262 -42.2185 -42.2185 -21.2355 -21.2355 -21.2187 -21.2187 -20.7720 -20.7720 -20.7430 -20.7430 -20.6803 -20.6803 -20.6397 -20.6397 -8.8055 -8.8055 -8.7629 -8.7629 1.6219 1.6219 1.7321 1.7321 2.2994 2.2994 2.4227 2.4227 2.7397 2.7397 2.8245 2.8245 6.8868 6.8868 7.4393 7.4393 7.4513 7.4513 9.3892 9.3892 9.5740 9.5740 9.7548 9.7548 k = 0.7698-0.5730-1.1630 ( 3846 PWs) bands (ev): -42.2268 -42.2268 -42.2184 -42.2184 -21.2355 -21.2355 -21.2173 -21.2173 -20.7709 -20.7709 -20.7420 -20.7420 -20.6807 -20.6807 -20.6381 -20.6381 -8.8143 -8.8143 -8.7673 -8.7673 1.6188 1.6188 1.7233 1.7233 2.3244 2.3244 2.4629 2.4629 2.7416 2.7416 2.8302 2.8302 6.8479 6.8479 7.4517 7.4517 7.4557 7.4557 9.3787 9.3787 9.5553 9.5553 9.7309 9.7309 k = 0.7643-0.5593-1.1381 ( 3846 PWs) bands (ev): -42.2274 -42.2274 -42.2182 -42.2182 -21.2355 -21.2355 -21.2158 -21.2158 -20.7698 -20.7698 -20.7410 -20.7410 -20.6811 -20.6811 -20.6366 -20.6366 -8.8238 -8.8238 -8.7723 -8.7723 1.6186 1.6186 1.7176 1.7176 2.3457 2.3457 2.5023 2.5023 2.7468 2.7468 2.8360 2.8360 6.8075 6.8075 7.4535 7.4535 7.4715 7.4715 9.3695 9.3695 9.5363 9.5363 9.7068 9.7068 k = 0.7588-0.5457-1.1132 ( 3844 PWs) bands (ev): -42.2281 -42.2281 -42.2181 -42.2181 -21.2354 -21.2354 -21.2141 -21.2141 -20.7685 -20.7685 -20.7398 -20.7398 -20.6814 -20.6814 -20.6349 -20.6349 -8.8340 -8.8340 -8.7780 -8.7780 1.6215 1.6215 1.7152 1.7152 2.3627 2.3627 2.5406 2.5406 2.7559 2.7559 2.8423 2.8423 6.7657 6.7657 7.4544 7.4544 7.4891 7.4891 9.3613 9.3613 9.5173 9.5173 9.6826 9.6826 k = 0.7533-0.5320-1.0883 ( 3838 PWs) bands (ev): -42.2288 -42.2288 -42.2180 -42.2180 -21.2353 -21.2353 -21.2123 -21.2123 -20.7672 -20.7672 -20.7384 -20.7384 -20.6816 -20.6816 -20.6333 -20.6333 -8.8448 -8.8448 -8.7843 -8.7843 1.6273 1.6273 1.7159 1.7159 2.3751 2.3751 2.5772 2.5772 2.7691 2.7691 2.8496 2.8496 6.7230 6.7230 7.4550 7.4550 7.5079 7.5079 9.3540 9.3540 9.4985 9.4985 9.6583 9.6583 k = 0.7478-0.5183-1.0634 ( 3838 PWs) bands (ev): -42.2295 -42.2295 -42.2180 -42.2180 -21.2351 -21.2351 -21.2104 -21.2104 -20.7659 -20.7659 -20.7370 -20.7370 -20.6817 -20.6817 -20.6316 -20.6316 -8.8562 -8.8562 -8.7913 -8.7913 1.6360 1.6360 1.7198 1.7198 2.3827 2.3827 2.6114 2.6114 2.7865 2.7865 2.8585 2.8585 6.6796 6.6796 7.4554 7.4554 7.5278 7.5278 9.3474 9.3474 9.4799 9.4799 9.6341 9.6341 k = 0.7423-0.5047-1.0385 ( 3836 PWs) bands (ev): -42.2302 -42.2302 -42.2179 -42.2179 -21.2348 -21.2348 -21.2084 -21.2084 -20.7646 -20.7646 -20.7355 -20.7355 -20.6818 -20.6818 -20.6299 -20.6299 -8.8682 -8.8682 -8.7988 -8.7988 1.6475 1.6475 1.7270 1.7270 2.3859 2.3859 2.6422 2.6422 2.8078 2.8078 2.8699 2.8699 6.6359 6.6359 7.4557 7.4557 7.5487 7.5487 9.3415 9.3415 9.4618 9.4618 9.6099 9.6099 k = 0.7368-0.4910-1.0136 ( 3840 PWs) bands (ev): -42.2310 -42.2310 -42.2179 -42.2179 -21.2345 -21.2345 -21.2063 -21.2063 -20.7632 -20.7632 -20.7339 -20.7339 -20.6817 -20.6817 -20.6283 -20.6283 -8.8808 -8.8808 -8.8070 -8.8070 1.6618 1.6618 1.7373 1.7373 2.3854 2.3854 2.6685 2.6685 2.8324 2.8324 2.8847 2.8847 6.5920 6.5920 7.4561 7.4561 7.5705 7.5705 9.3359 9.3359 9.4442 9.4442 9.5858 9.5858 k = 0.7313-0.4773-0.9887 ( 3844 PWs) bands (ev): -42.2318 -42.2318 -42.2179 -42.2179 -21.2341 -21.2341 -21.2040 -21.2040 -20.7618 -20.7618 -20.7322 -20.7322 -20.6815 -20.6815 -20.6266 -20.6266 -8.8939 -8.8939 -8.8158 -8.8158 1.6786 1.6786 1.7507 1.7507 2.3817 2.3817 2.6893 2.6893 2.8598 2.8598 2.9038 2.9038 6.5483 6.5483 7.4566 7.4566 7.5933 7.5933 9.3305 9.3305 9.4273 9.4273 9.5618 9.5618 k = 0.7258-0.4636-0.9638 ( 3842 PWs) bands (ev): -42.2325 -42.2325 -42.2179 -42.2179 -21.2337 -21.2337 -21.2016 -21.2016 -20.7605 -20.7605 -20.7304 -20.7304 -20.6811 -20.6811 -20.6249 -20.6249 -8.9076 -8.9076 -8.8252 -8.8252 1.6979 1.6979 1.7673 1.7673 2.3758 2.3758 2.7043 2.7043 2.8894 2.8894 2.9273 2.9273 6.5050 6.5050 7.4573 7.4573 7.6170 7.6170 9.3252 9.3252 9.4110 9.4110 9.5378 9.5378 k = 0.7203-0.4500-0.9388 ( 3850 PWs) bands (ev): -42.2334 -42.2334 -42.2180 -42.2180 -21.2332 -21.2332 -21.1992 -21.1992 -20.7591 -20.7591 -20.7285 -20.7285 -20.6806 -20.6806 -20.6233 -20.6233 -8.9217 -8.9217 -8.8351 -8.8351 1.7192 1.7192 1.7869 1.7869 2.3682 2.3682 2.7138 2.7138 2.9209 2.9209 2.9547 2.9547 6.4622 6.4622 7.4581 7.4581 7.6417 7.6417 9.3199 9.3199 9.3956 9.3956 9.5137 9.5137 k = 0.7148-0.4363-0.9139 ( 3858 PWs) bands (ev): -42.2342 -42.2342 -42.2181 -42.2181 -21.2327 -21.2327 -21.1966 -21.1966 -20.7577 -20.7577 -20.7265 -20.7265 -20.6800 -20.6800 -20.6217 -20.6217 -8.9364 -8.9364 -8.8456 -8.8456 1.7423 1.7423 1.8094 1.8094 2.3598 2.3598 2.7185 2.7185 2.9536 2.9536 2.9852 2.9852 6.4203 6.4203 7.4593 7.4593 7.6672 7.6672 9.3144 9.3144 9.3809 9.3809 9.4896 9.4896 k = 0.7092-0.4226-0.8890 ( 3862 PWs) bands (ev): -42.2350 -42.2350 -42.2181 -42.2181 -21.2321 -21.2321 -21.1939 -21.1939 -20.7564 -20.7564 -20.7245 -20.7245 -20.6791 -20.6791 -20.6202 -20.6202 -8.9514 -8.9514 -8.8565 -8.8565 1.7667 1.7667 1.8347 1.8347 2.3513 2.3513 2.7195 2.7195 2.9873 2.9873 3.0179 3.0179 6.3793 6.3793 7.4609 7.4609 7.6937 7.6937 9.3088 9.3088 9.3670 9.3670 9.4654 9.4654 k = 0.7037-0.4090-0.8641 ( 3860 PWs) bands (ev): -42.2359 -42.2359 -42.2183 -42.2183 -21.2314 -21.2314 -21.1912 -21.1912 -20.7551 -20.7551 -20.7223 -20.7223 -20.6781 -20.6781 -20.6186 -20.6186 -8.9668 -8.9668 -8.8679 -8.8679 1.7918 1.7918 1.8628 1.8628 2.3436 2.3436 2.7175 2.7175 3.0214 3.0214 3.0519 3.0519 6.3396 6.3396 7.4628 7.4628 7.7211 7.7211 9.3029 9.3029 9.3539 9.3539 9.4411 9.4411 k = 0.6982-0.3953-0.8392 ( 3866 PWs) bands (ev): -42.2368 -42.2368 -42.2184 -42.2184 -21.2307 -21.2307 -21.1884 -21.1884 -20.7538 -20.7538 -20.7201 -20.7201 -20.6769 -20.6769 -20.6171 -20.6171 -8.9825 -8.9825 -8.8797 -8.8797 1.8169 1.8169 1.8934 1.8934 2.3375 2.3375 2.7133 2.7133 3.0558 3.0558 3.0867 3.0867 6.3011 6.3011 7.4650 7.4650 7.7494 7.7494 9.2968 9.2968 9.3417 9.3417 9.4167 9.4167 k = 0.6927-0.3816-0.8143 ( 3868 PWs) bands (ev): -42.2376 -42.2376 -42.2185 -42.2185 -21.2299 -21.2299 -21.1855 -21.1855 -20.7526 -20.7526 -20.7178 -20.7178 -20.6755 -20.6755 -20.6157 -20.6157 -8.9985 -8.9985 -8.8919 -8.8919 1.8410 1.8410 1.9263 1.9263 2.3340 2.3340 2.7073 2.7073 3.0901 3.0901 3.1219 3.1219 6.2640 6.2640 7.4676 7.4676 7.7786 7.7786 9.2903 9.2903 9.3303 9.3303 9.3925 9.3925 k = 0.6872-0.3679-0.7894 ( 3868 PWs) bands (ev): -42.2385 -42.2385 -42.2187 -42.2187 -21.2291 -21.2291 -21.1825 -21.1825 -20.7514 -20.7514 -20.7154 -20.7154 -20.6739 -20.6739 -20.6143 -20.6143 -9.0147 -9.0147 -8.9045 -8.9045 1.8631 1.8631 1.9612 1.9612 2.3346 2.3346 2.7000 2.7000 3.1241 3.1241 3.1571 3.1571 6.2285 6.2285 7.4705 7.4705 7.8088 7.8088 9.2835 9.2835 9.3196 9.3196 9.3686 9.3686 k = 0.6817-0.3543-0.7645 ( 3872 PWs) bands (ev): -42.2394 -42.2394 -42.2189 -42.2189 -21.2283 -21.2283 -21.1795 -21.1795 -20.7503 -20.7503 -20.7130 -20.7130 -20.6721 -20.6721 -20.6129 -20.6129 -9.0312 -9.0312 -8.9174 -8.9174 1.8818 1.8818 1.9978 1.9978 2.3403 2.3403 2.6920 2.6920 3.1577 3.1577 3.1921 3.1921 6.1946 6.1946 7.4737 7.4737 7.8398 7.8398 9.2759 9.2759 9.3095 9.3095 9.3456 9.3456 k = 0.6762-0.3406-0.7396 ( 3868 PWs) bands (ev): -42.2403 -42.2403 -42.2191 -42.2191 -21.2274 -21.2274 -21.1764 -21.1764 -20.7492 -20.7492 -20.7105 -20.7105 -20.6701 -20.6701 -20.6116 -20.6116 -9.0478 -9.0478 -8.9306 -8.9306 1.8960 1.8960 2.0358 2.0358 2.3523 2.3523 2.6836 2.6836 3.1908 3.1908 3.2267 3.2267 6.1624 6.1624 7.4770 7.4770 7.8717 7.8717 9.2669 9.2669 9.2998 9.2998 9.3248 9.3248 k = 0.6707-0.3269-0.7147 ( 3876 PWs) bands (ev): -42.2412 -42.2412 -42.2193 -42.2193 -21.2266 -21.2266 -21.1734 -21.1734 -20.7483 -20.7483 -20.7079 -20.7079 -20.6680 -20.6680 -20.6104 -20.6104 -9.0645 -9.0645 -8.9440 -8.9440 1.9049 1.9049 2.0745 2.0745 2.3715 2.3715 2.6754 2.6754 3.2233 3.2233 3.2607 3.2607 6.1319 6.1319 7.4805 7.4805 7.9045 7.9045 9.2547 9.2547 9.2901 9.2901 9.3081 9.3081 k = 0.6652-0.3132-0.6898 ( 3882 PWs) bands (ev): -42.2421 -42.2421 -42.2195 -42.2195 -21.2257 -21.2257 -21.1703 -21.1703 -20.7473 -20.7473 -20.7053 -20.7053 -20.6657 -20.6657 -20.6092 -20.6092 -9.0813 -9.0813 -8.9575 -8.9575 1.9082 1.9082 2.1133 2.1133 2.3981 2.3981 2.6683 2.6683 3.2551 3.2551 3.2941 3.2941 6.1031 6.1031 7.4839 7.4839 7.9382 7.9382 9.2382 9.2382 9.2811 9.2811 9.2964 9.2964 k = 0.6597-0.2996-0.6649 ( 3886 PWs) bands (ev): -42.2430 -42.2430 -42.2197 -42.2197 -21.2248 -21.2248 -21.1672 -21.1672 -20.7464 -20.7464 -20.7026 -20.7026 -20.6632 -20.6632 -20.6081 -20.6081 -9.0980 -9.0980 -8.9712 -8.9712 1.9063 1.9063 2.1511 2.1511 2.4316 2.4316 2.6632 2.6632 3.2861 3.2861 3.3266 3.3266 6.0762 6.0762 7.4873 7.4873 7.9727 7.9727 9.2179 9.2179 9.2735 9.2735 9.2885 9.2886 k = 0.6542-0.2859-0.6400 ( 3886 PWs) bands (ev): -42.2439 -42.2439 -42.2200 -42.2200 -21.2239 -21.2239 -21.1640 -21.1640 -20.7456 -20.7456 -20.6999 -20.6999 -20.6606 -20.6606 -20.6070 -20.6070 -9.1148 -9.1148 -8.9850 -8.9850 1.8999 1.8999 2.1867 2.1867 2.4714 2.4714 2.6614 2.6614 3.3163 3.3163 3.3583 3.3583 6.0509 6.0509 7.4906 7.4906 8.0081 8.0081 9.1956 9.1956 9.2674 9.2674 9.2830 9.2830 k = 0.6487-0.2722-0.6151 ( 3886 PWs) bands (ev): -42.2448 -42.2448 -42.2202 -42.2202 -21.2230 -21.2230 -21.1609 -21.1609 -20.7448 -20.7448 -20.6971 -20.6971 -20.6578 -20.6578 -20.6060 -20.6060 -9.1314 -9.1314 -8.9988 -8.9988 1.8897 1.8897 2.2185 2.2185 2.5165 2.5165 2.6644 2.6644 3.3457 3.3457 3.3890 3.3890 6.0273 6.0273 7.4936 7.4936 8.0443 8.0443 9.1726 9.1726 9.2620 9.2620 9.2793 9.2793 k = 0.6432-0.2586-0.5902 ( 3884 PWs) bands (ev): -42.2457 -42.2457 -42.2205 -42.2205 -21.2221 -21.2221 -21.1579 -21.1579 -20.7441 -20.7441 -20.6942 -20.6942 -20.6550 -20.6550 -20.6051 -20.6051 -9.1479 -9.1479 -9.0127 -9.0127 1.8765 1.8765 2.2448 2.2448 2.5658 2.5658 2.6740 2.6740 3.3741 3.3741 3.4187 3.4187 6.0054 6.0054 7.4962 7.4962 8.0813 8.0813 9.1495 9.1495 9.2572 9.2572 9.2771 9.2771 k = 0.6377-0.2449-0.5653 ( 3878 PWs) bands (ev): -42.2466 -42.2466 -42.2208 -42.2208 -21.2212 -21.2212 -21.1548 -21.1548 -20.7434 -20.7434 -20.6913 -20.6913 -20.6520 -20.6520 -20.6042 -20.6042 -9.1642 -9.1642 -9.0264 -9.0264 1.8612 1.8612 2.2642 2.2642 2.6185 2.6185 2.6918 2.6918 3.4016 3.4016 3.4472 3.4472 5.9851 5.9851 7.4983 7.4983 8.1191 8.1191 9.1268 9.1268 9.2525 9.2525 9.2764 9.2764 k = 0.6322-0.2312-0.5404 ( 3878 PWs) bands (ev): -42.2474 -42.2474 -42.2211 -42.2211 -21.2204 -21.2204 -21.1518 -21.1518 -20.7427 -20.7427 -20.6884 -20.6884 -20.6490 -20.6490 -20.6034 -20.6034 -9.1803 -9.1803 -9.0401 -9.0401 1.8443 1.8443 2.2759 2.2759 2.6735 2.6735 2.7189 2.7189 3.4281 3.4281 3.4747 3.4747 5.9663 5.9663 7.4998 7.4998 8.1574 8.1574 9.1048 9.1048 9.2481 9.2481 9.2769 9.2769 k = 0.6266-0.2175-0.5155 ( 3874 PWs) bands (ev): -42.2483 -42.2483 -42.2213 -42.2213 -21.2195 -21.2195 -21.1489 -21.1489 -20.7421 -20.7421 -20.6855 -20.6855 -20.6459 -20.6459 -20.6027 -20.6027 -9.1961 -9.1961 -9.0537 -9.0537 1.8262 1.8262 2.2800 2.2800 2.7288 2.7288 2.7561 2.7561 3.4536 3.4536 3.5010 3.5010 5.9488 5.9488 7.5006 7.5006 8.1964 8.1964 9.0837 9.0837 9.2437 9.2437 9.2787 9.2787 k = 0.6211-0.2039-0.4906 ( 3876 PWs) bands (ev): -42.2491 -42.2491 -42.2216 -42.2216 -21.2187 -21.2187 -21.1460 -21.1460 -20.7415 -20.7415 -20.6825 -20.6825 -20.6428 -20.6428 -20.6021 -20.6021 -9.2116 -9.2116 -9.0670 -9.0670 1.8074 1.8074 2.2777 2.2777 2.7816 2.7816 2.8049 2.8049 3.4781 3.4781 3.5260 3.5260 5.9327 5.9327 7.5006 7.5006 8.2358 8.2358 9.0635 9.0635 9.2393 9.2393 9.2815 9.2815 k = 0.6156-0.1902-0.4657 ( 3884 PWs) bands (ev): -42.2499 -42.2499 -42.2219 -42.2219 -21.2180 -21.2180 -21.1432 -21.1432 -20.7410 -20.7410 -20.6795 -20.6795 -20.6396 -20.6396 -20.6016 -20.6016 -9.2267 -9.2267 -9.0801 -9.0801 1.7881 1.7881 2.2703 2.2703 2.8328 2.8328 2.8624 2.8624 3.5014 3.5014 3.5499 3.5499 5.9178 5.9178 7.4998 7.4998 8.2757 8.2757 9.0446 9.0446 9.2348 9.2348 9.2853 9.2853 k = 0.6101-0.1765-0.4407 ( 3880 PWs) bands (ev): -42.2507 -42.2507 -42.2222 -42.2222 -21.2173 -21.2173 -21.1404 -21.1404 -20.7404 -20.7404 -20.6765 -20.6765 -20.6365 -20.6365 -20.6011 -20.6011 -9.2415 -9.2415 -9.0929 -9.0929 1.7686 1.7686 2.2591 2.2591 2.8857 2.8857 2.9232 2.9232 3.5238 3.5238 3.5725 3.5725 5.9040 5.9040 7.4981 7.4981 8.3159 8.3159 9.0269 9.0269 9.2301 9.2302 9.2900 9.2900 k = 0.6046-0.1629-0.4158 ( 3878 PWs) bands (ev): -42.2515 -42.2515 -42.2225 -42.2225 -21.2166 -21.2166 -21.1378 -21.1378 -20.7399 -20.7399 -20.6735 -20.6735 -20.6333 -20.6333 -20.6007 -20.6007 -9.2558 -9.2558 -9.1054 -9.1054 1.7491 1.7491 2.2452 2.2452 2.9410 2.9410 2.9854 2.9854 3.5450 3.5450 3.5939 3.5939 5.8911 5.8911 7.4955 7.4955 8.3562 8.3562 9.0105 9.0105 9.2252 9.2252 9.2953 9.2953 k = 0.5991-0.1492-0.3909 ( 3874 PWs) bands (ev): -42.2522 -42.2522 -42.2227 -42.2227 -21.2159 -21.2159 -21.1352 -21.1352 -20.7395 -20.7395 -20.6705 -20.6705 -20.6302 -20.6302 -20.6004 -20.6004 -9.2695 -9.2695 -9.1176 -9.1176 1.7298 1.7298 2.2294 2.2294 2.9982 2.9982 3.0479 3.0479 3.5652 3.5652 3.6140 3.6140 5.8791 5.8791 7.4920 7.4920 8.3967 8.3967 8.9955 8.9955 9.2200 9.2200 9.3011 9.3011 k = 0.5936-0.1355-0.3660 ( 3880 PWs) bands (ev): -42.2529 -42.2529 -42.2230 -42.2230 -21.2153 -21.2153 -21.1328 -21.1328 -20.7390 -20.7390 -20.6676 -20.6676 -20.6271 -20.6271 -20.6001 -20.6001 -9.2828 -9.2828 -9.1293 -9.1293 1.7109 1.7109 2.2125 2.2125 3.0564 3.0564 3.1101 3.1101 3.5843 3.5843 3.6329 3.6329 5.8679 5.8679 7.4876 7.4876 8.4370 8.4370 8.9818 8.9818 9.2143 9.2143 9.3072 9.3072 k = 0.5881-0.1218-0.3411 ( 3878 PWs) bands (ev): -42.2536 -42.2536 -42.2233 -42.2233 -21.2147 -21.2147 -21.1304 -21.1304 -20.7386 -20.7386 -20.6646 -20.6646 -20.6241 -20.6241 -20.6000 -20.6000 -9.2955 -9.2955 -9.1406 -9.1406 1.6925 1.6925 2.1949 2.1949 3.1152 3.1152 3.1718 3.1718 3.6023 3.6023 3.6506 3.6506 5.8572 5.8572 7.4824 7.4824 8.4772 8.4772 8.9695 8.9695 9.2081 9.2081 9.3135 9.3135 k = 0.5826-0.1082-0.3162 ( 3878 PWs) bands (ev): -42.2543 -42.2543 -42.2235 -42.2235 -21.2142 -21.2142 -21.1282 -21.1282 -20.7382 -20.7382 -20.6617 -20.6617 -20.6212 -20.6212 -20.5999 -20.5999 -9.3077 -9.3077 -9.1514 -9.1514 1.6746 1.6746 2.1771 2.1771 3.1739 3.1739 3.2323 3.2323 3.6192 3.6192 3.6672 3.6672 5.8472 5.8472 7.4764 7.4764 8.5169 8.5169 8.9585 8.9585 9.2013 9.2013 9.3197 9.3198 k = 0.5771-0.0945-0.2913 ( 3878 PWs) bands (ev): -42.2549 -42.2549 -42.2237 -42.2237 -21.2137 -21.2137 -21.1261 -21.1261 -20.7379 -20.7379 -20.6589 -20.6589 -20.6184 -20.6184 -20.5998 -20.5998 -9.3192 -9.3192 -9.1616 -9.1616 1.6575 1.6575 2.1594 2.1594 3.2320 3.2320 3.2913 3.2913 3.6351 3.6351 3.6826 3.6826 5.8375 5.8375 7.4697 7.4697 8.5560 8.5560 8.9488 8.9488 9.1939 9.1939 9.3259 9.3259 k = 0.5716-0.0808-0.2664 ( 3876 PWs) bands (ev): -42.2555 -42.2555 -42.2240 -42.2240 -21.2132 -21.2132 -21.1241 -21.1241 -20.7375 -20.7375 -20.6561 -20.6561 -20.6157 -20.6157 -20.5999 -20.5999 -9.3300 -9.3300 -9.1713 -9.1713 1.6411 1.6411 2.1420 2.1420 3.2890 3.2890 3.3484 3.3484 3.6500 3.6500 3.6969 3.6969 5.8283 5.8283 7.4624 7.4624 8.5943 8.5943 8.9402 8.9402 9.1860 9.1860 9.3318 9.3318 k = 0.5661-0.0672-0.2415 ( 3876 PWs) bands (ev): -42.2560 -42.2560 -42.2242 -42.2242 -21.2128 -21.2128 -21.1223 -21.1223 -20.7372 -20.7372 -20.6534 -20.6534 -20.6132 -20.6132 -20.6000 -20.6000 -9.3401 -9.3401 -9.1805 -9.1805 1.6257 1.6257 2.1252 2.1252 3.3442 3.3442 3.4032 3.4032 3.6639 3.6639 3.7101 3.7101 5.8194 5.8194 7.4546 7.4546 8.6316 8.6316 8.9328 8.9328 9.1775 9.1775 9.3375 9.3375 k = 0.5606-0.0535-0.2166 ( 3878 PWs) bands (ev): -42.2565 -42.2565 -42.2244 -42.2244 -21.2124 -21.2124 -21.1206 -21.1206 -20.7369 -20.7369 -20.6508 -20.6508 -20.6109 -20.6109 -20.6001 -20.6001 -9.3496 -9.3496 -9.1890 -9.1890 1.6112 1.6112 2.1091 2.1091 3.3973 3.3973 3.4551 3.4551 3.6769 3.6769 3.7224 3.7224 5.8108 5.8108 7.4466 7.4466 8.6677 8.6677 8.9263 8.9263 9.1686 9.1686 9.3430 9.3430 k = 0.5551-0.0398-0.1917 ( 3878 PWs) bands (ev): -42.2570 -42.2570 -42.2246 -42.2246 -21.2121 -21.2121 -21.1190 -21.1190 -20.7367 -20.7367 -20.6483 -20.6483 -20.6088 -20.6088 -20.6002 -20.6002 -9.3583 -9.3583 -9.1969 -9.1969 1.5978 1.5978 2.0940 2.0940 3.4476 3.4476 3.5039 3.5039 3.6890 3.6890 3.7338 3.7338 5.8025 5.8025 7.4385 7.4385 8.7021 8.7021 8.9208 8.9208 9.1593 9.1593 9.3483 9.3483 k = 0.5496-0.0261-0.1668 ( 3882 PWs) bands (ev): -42.2574 -42.2574 -42.2248 -42.2248 -21.2118 -21.2118 -21.1176 -21.1176 -20.7364 -20.7364 -20.6459 -20.6459 -20.6070 -20.6070 -20.6003 -20.6003 -9.3662 -9.3662 -9.2041 -9.2041 1.5854 1.5854 2.0800 2.0800 3.4946 3.4946 3.5489 3.5489 3.7003 3.7003 3.7445 3.7445 5.7946 5.7946 7.4304 7.4304 8.7348 8.7348 8.9160 8.9160 9.1499 9.1499 9.3535 9.3535 k = 0.5441-0.0125-0.1419 ( 3878 PWs) bands (ev): -42.2578 -42.2578 -42.2249 -42.2249 -21.2116 -21.2116 -21.1163 -21.1163 -20.7362 -20.7362 -20.6437 -20.6437 -20.6056 -20.6056 -20.6002 -20.6002 -9.3734 -9.3734 -9.2106 -9.2106 1.5742 1.5742 2.0671 2.0671 3.5377 3.5377 3.5898 3.5898 3.7110 3.7110 3.7546 3.7546 5.7872 5.7872 7.4225 7.4225 8.7655 8.7655 8.9119 8.9119 9.1406 9.1406 9.3587 9.3587 k = 0.5385 0.0012-0.1170 ( 3876 PWs) bands (ev): -42.2582 -42.2582 -42.2251 -42.2251 -21.2113 -21.2113 -21.1151 -21.1151 -20.7360 -20.7360 -20.6416 -20.6416 -20.6046 -20.6046 -20.5998 -20.5998 -9.3798 -9.3798 -9.2164 -9.2164 1.5642 1.5642 2.0555 2.0555 3.5763 3.5763 3.6259 3.6259 3.7213 3.7213 3.7644 3.7644 5.7802 5.7802 7.4150 7.4150 8.7937 8.7937 8.9085 8.9085 9.1315 9.1315 9.3638 9.3638 k = 0.5330 0.0149-0.0921 ( 3868 PWs) bands (ev): -42.2585 -42.2585 -42.2252 -42.2252 -21.2111 -21.2111 -21.1141 -21.1141 -20.7358 -20.7358 -20.6397 -20.6397 -20.6042 -20.6042 -20.5991 -20.5991 -9.3853 -9.3853 -9.2214 -9.2214 1.5555 1.5555 2.0453 2.0453 3.6096 3.6096 3.6568 3.6568 3.7314 3.7314 3.7739 3.7739 5.7738 5.7738 7.4081 7.4081 8.8192 8.8192 8.9057 8.9057 9.1229 9.1229 9.3688 9.3688 k = 0.5275 0.0285-0.0672 ( 3870 PWs) bands (ev): -42.2587 -42.2587 -42.2253 -42.2253 -21.2110 -21.2110 -21.1133 -21.1133 -20.7357 -20.7357 -20.6381 -20.6381 -20.6042 -20.6042 -20.5983 -20.5983 -9.3900 -9.3900 -9.2258 -9.2258 1.5480 1.5480 2.0365 2.0365 3.6371 3.6371 3.6820 3.6820 3.7414 3.7414 3.7834 3.7834 5.7681 5.7681 7.4019 7.4019 8.8415 8.8415 8.9034 8.9034 9.1151 9.1151 9.3735 9.3735 k = 0.5220 0.0422-0.0423 ( 3866 PWs) bands (ev): -42.2589 -42.2589 -42.2254 -42.2254 -21.2108 -21.2108 -21.1125 -21.1125 -20.7356 -20.7356 -20.6367 -20.6367 -20.6044 -20.6044 -20.5974 -20.5974 -9.3939 -9.3939 -9.2293 -9.2293 1.5419 1.5419 2.0293 2.0293 3.6585 3.6585 3.7015 3.7015 3.7513 3.7513 3.7927 3.7927 5.7632 5.7632 7.3966 7.3966 8.8603 8.8603 8.9018 8.9018 9.1082 9.1082 9.3779 9.3790 k = 0.5165 0.0559-0.0174 ( 3866 PWs) bands (ev): -42.2591 -42.2591 -42.2255 -42.2255 -21.2107 -21.2107 -21.1120 -21.1120 -20.7355 -20.7355 -20.6355 -20.6355 -20.6046 -20.6046 -20.5967 -20.5967 -9.3970 -9.3970 -9.2321 -9.2321 1.5371 1.5371 2.0236 2.0236 3.6739 3.6739 3.7156 3.7156 3.7605 3.7605 3.8014 3.8014 5.7592 5.7592 7.3923 7.3923 8.8751 8.8751 8.9009 8.9009 9.1026 9.1026 9.3813 9.3822 k = 0.5110 0.0696 0.0075 ( 3868 PWs) bands (ev): -42.2592 -42.2592 -42.2255 -42.2255 -21.2107 -21.2107 -21.1116 -21.1116 -20.7354 -20.7354 -20.6347 -20.6347 -20.6048 -20.6048 -20.5962 -20.5962 -9.3991 -9.3991 -9.2341 -9.2341 1.5336 1.5336 2.0195 2.0195 3.6841 3.6841 3.7248 3.7248 3.7681 3.7681 3.8085 3.8085 5.7563 5.7563 7.3892 7.3892 8.8850 8.8850 8.9012 8.9012 9.0984 9.0984 9.3842 9.3844 k = 0.5055 0.0832 0.0324 ( 3868 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6342 -20.6342 -20.6049 -20.6049 -20.5959 -20.5959 -9.4004 -9.4004 -9.2352 -9.2352 1.5315 1.5315 2.0170 2.0170 3.6898 3.6898 3.7300 3.7300 3.7732 3.7732 3.8131 3.8131 5.7546 5.7546 7.3873 7.3873 8.8898 8.8898 8.9027 8.9027 9.0958 9.0958 9.3845 9.3864 k = 0.5000 0.0969 0.0574 ( 3860 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7353 -20.7353 -20.6340 -20.6340 -20.6049 -20.6049 -20.5957 -20.5957 -9.4009 -9.4009 -9.2356 -9.2356 1.5309 1.5309 2.0162 2.0162 3.6916 3.6916 3.7317 3.7317 3.7750 3.7750 3.8148 3.8148 5.7540 5.7540 7.3867 7.3867 8.8910 8.8910 8.9036 8.9036 9.0949 9.0949 9.3845 9.3864 k = 0.5000 0.0969 0.0574 ( 3860 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7353 -20.7353 -20.6340 -20.6340 -20.6049 -20.6049 -20.5957 -20.5957 -9.4009 -9.4009 -9.2356 -9.2356 1.5309 1.5309 2.0162 2.0162 3.6916 3.6916 3.7317 3.7317 3.7750 3.7750 3.8148 3.8148 5.7540 5.7540 7.3867 7.3867 8.8910 8.8910 8.9036 8.9036 9.0949 9.0949 9.3844 9.3852 k = 0.4722 0.0915 0.0542 ( 3869 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4010 -9.4010 -9.2355 -9.2355 1.5275 1.5275 2.0206 2.0206 3.6912 3.6912 3.7321 3.7321 3.7746 3.7746 3.8151 3.8151 5.7503 5.7503 7.3895 7.3895 8.8911 8.8911 8.9037 8.9037 9.0947 9.0947 9.3842 9.3844 k = 0.4444 0.0861 0.0510 ( 3869 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6049 -20.6049 -20.5958 -20.5958 -9.4013 -9.4013 -9.2352 -9.2352 1.5179 1.5179 2.0335 2.0335 3.6903 3.6903 3.7330 3.7330 3.7736 3.7736 3.8161 3.8161 5.7395 5.7395 7.3979 7.3979 8.8915 8.8915 8.9041 8.9041 9.0943 9.0943 9.3835 9.3850 k = 0.4167 0.0808 0.0478 ( 3875 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4018 -9.4018 -9.2346 -9.2346 1.5030 1.5030 2.0535 2.0535 3.6888 3.6888 3.7346 3.7346 3.7721 3.7721 3.8177 3.8177 5.7221 5.7221 7.4114 7.4114 8.8921 8.8921 8.9047 8.9047 9.0935 9.0935 9.3824 9.3833 k = 0.3889 0.0754 0.0446 ( 3875 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4025 -9.4025 -9.2339 -9.2339 1.4844 1.4844 2.0793 2.0793 3.6869 3.6869 3.7365 3.7365 3.7702 3.7702 3.8197 3.8197 5.6988 5.6988 7.4294 7.4294 8.8930 8.8930 8.9056 8.9056 9.0924 9.0924 9.3810 9.3815 k = 0.3611 0.0700 0.0414 ( 3881 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4033 -9.4033 -9.2330 -9.2330 1.4634 1.4634 2.1092 2.1092 3.6848 3.6848 3.7387 3.7387 3.7680 3.7680 3.8219 3.8219 5.6705 5.6705 7.4509 7.4509 8.8941 8.8941 8.9066 8.9066 9.0912 9.0912 9.3791 9.3802 k = 0.3333 0.0646 0.0382 ( 3884 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4043 -9.4043 -9.2320 -9.2320 1.4411 1.4411 2.1419 2.1419 3.6826 3.6826 3.7410 3.7410 3.7657 3.7657 3.8243 3.8243 5.6383 5.6383 7.4752 7.4752 8.8953 8.8953 8.9079 8.9079 9.0898 9.0898 9.3773 9.3798 k = 0.3056 0.0592 0.0350 ( 3881 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4054 -9.4054 -9.2309 -9.2309 1.4186 1.4186 2.1762 2.1762 3.6803 3.6803 3.7435 3.7435 3.7633 3.7633 3.8267 3.8267 5.6034 5.6034 7.5011 7.5011 8.8968 8.8968 8.9092 8.9092 9.0883 9.0883 9.3744 9.3747 k = 0.2778 0.0538 0.0319 ( 3887 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4065 -9.4065 -9.2297 -9.2297 1.3964 1.3964 2.2111 2.2111 3.6780 3.6780 3.7459 3.7459 3.7610 3.7610 3.8291 3.8291 5.5668 5.5668 7.5279 7.5279 8.8983 8.8983 8.9107 8.9107 9.0867 9.0867 9.3722 9.3726 k = 0.2500 0.0485 0.0287 ( 3887 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4076 -9.4076 -9.2285 -9.2285 1.3752 1.3752 2.2456 2.2456 3.6758 3.6758 3.7482 3.7482 3.7588 3.7588 3.8314 3.8314 5.5297 5.5297 7.5547 7.5547 8.8999 8.8999 8.9123 8.9123 9.0852 9.0852 9.3694 9.3694 k = 0.2222 0.0431 0.0255 ( 3881 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4087 -9.4087 -9.2273 -9.2273 1.3555 1.3555 2.2789 2.2789 3.6738 3.6738 3.7504 3.7504 3.7567 3.7567 3.8336 3.8336 5.4932 5.4932 7.5806 7.5806 8.9015 8.9015 8.9139 8.9139 9.0837 9.0837 9.3666 9.3677 k = 0.1944 0.0377 0.0223 ( 3875 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7353 -20.7353 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4098 -9.4098 -9.2261 -9.2261 1.3374 1.3374 2.3104 2.3104 3.6719 3.6719 3.7525 3.7525 3.7548 3.7548 3.8356 3.8356 5.4583 5.4583 7.6051 7.6051 8.9031 8.9031 8.9154 8.9154 9.0823 9.0823 9.3638 9.3643 k = 0.1667 0.0323 0.0191 ( 3875 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7353 -20.7353 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4108 -9.4108 -9.2251 -9.2251 1.3214 1.3214 2.3392 2.3392 3.6702 3.6702 3.7530 3.7530 3.7543 3.7543 3.8374 3.8374 5.4258 5.4258 7.6274 7.6274 8.9046 8.9046 8.9169 8.9169 9.0810 9.0810 9.3613 9.3615 k = 0.1389 0.0269 0.0159 ( 3878 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4116 -9.4116 -9.2241 -9.2241 1.3075 1.3075 2.3648 2.3648 3.6687 3.6687 3.7515 3.7515 3.7559 3.7559 3.8390 3.8390 5.3967 5.3967 7.6471 7.6471 8.9060 8.9060 8.9182 8.9182 9.0799 9.0799 9.3590 9.3606 k = 0.1111 0.0215 0.0127 ( 3885 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6340 -20.6340 -20.6050 -20.6050 -20.5958 -20.5958 -9.4124 -9.4124 -9.2233 -9.2233 1.2960 1.2960 2.3866 2.3866 3.6675 3.6675 3.7503 3.7503 3.7572 3.7572 3.8403 3.8403 5.3717 5.3717 7.6637 7.6637 8.9072 8.9072 8.9194 8.9194 9.0790 9.0790 9.3570 9.3581 k = 0.0833 0.0162 0.0096 ( 3885 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6339 -20.6339 -20.6050 -20.6050 -20.5959 -20.5959 -9.4130 -9.4130 -9.2226 -9.2226 1.2869 1.2869 2.4042 2.4042 3.6665 3.6665 3.7493 3.7493 3.7584 3.7584 3.8414 3.8414 5.3516 5.3516 7.6770 7.6770 8.9082 8.9082 8.9204 8.9204 9.0783 9.0783 9.3554 9.3573 k = 0.0556 0.0108 0.0064 ( 3879 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6339 -20.6339 -20.6050 -20.6050 -20.5959 -20.5959 -9.4134 -9.4134 -9.2222 -9.2222 1.2803 1.2803 2.4171 2.4171 3.6658 3.6658 3.7485 3.7485 3.7591 3.7591 3.8422 3.8422 5.3368 5.3368 7.6867 7.6867 8.9089 8.9089 8.9211 8.9211 9.0778 9.0778 9.3544 9.3553 k = 0.0278 0.0054 0.0032 ( 3885 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6339 -20.6339 -20.6050 -20.6050 -20.5959 -20.5959 -9.4137 -9.4137 -9.2219 -9.2219 1.2764 1.2764 2.4249 2.4249 3.6653 3.6653 3.7481 3.7481 3.7596 3.7596 3.8426 3.8426 5.3277 5.3277 7.6926 7.6926 8.9094 8.9094 8.9215 8.9215 9.0775 9.0775 9.3534 9.3537 k = 0.0000 0.0000 0.0000 ( 3885 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6339 -20.6339 -20.6050 -20.6050 -20.5959 -20.5959 -9.4138 -9.4138 -9.2218 -9.2218 1.2751 1.2751 2.4276 2.4276 3.6652 3.6652 3.7480 3.7480 3.7597 3.7597 3.8428 3.8428 5.3247 5.3247 7.6945 7.6945 8.9095 8.9095 8.9217 8.9217 9.0774 9.0774 9.3532 9.3543 k = 0.0000 0.0000 0.0000 ( 3885 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6339 -20.6339 -20.6050 -20.6050 -20.5959 -20.5959 -9.4138 -9.4138 -9.2218 -9.2218 1.2751 1.2751 2.4276 2.4276 3.6652 3.6652 3.7480 3.7480 3.7597 3.7597 3.8428 3.8428 5.3247 5.3247 7.6945 7.6945 8.9095 8.9095 8.9217 8.9217 9.0774 9.0774 9.3533 9.3539 k = 0.0054-0.0135-0.0246 ( 3881 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1115 -21.1115 -20.7354 -20.7354 -20.6341 -20.6341 -20.6049 -20.6049 -20.5960 -20.5960 -9.4134 -9.4134 -9.2214 -9.2214 1.2760 1.2760 2.4281 2.4281 3.6636 3.6636 3.7458 3.7458 3.7583 3.7583 3.8407 3.8407 5.3267 5.3267 7.6939 7.6939 8.9084 8.9084 8.9208 8.9208 9.0781 9.0781 9.3539 9.3543 k = 0.0109-0.0270-0.0492 ( 3883 PWs) bands (ev): -42.2592 -42.2592 -42.2255 -42.2255 -21.2107 -21.2107 -21.1117 -21.1117 -20.7354 -20.7354 -20.6346 -20.6346 -20.6048 -20.6048 -20.5963 -20.5963 -9.4120 -9.4120 -9.2203 -9.2203 1.2788 1.2788 2.4296 2.4296 3.6587 3.6587 3.7393 3.7393 3.7534 3.7534 3.8347 3.8347 5.3325 5.3325 7.6920 7.6920 8.9036 8.9036 8.9192 8.9192 9.0801 9.0801 9.3563 9.3568 k = 0.0163-0.0406-0.0739 ( 3883 PWs) bands (ev): -42.2591 -42.2591 -42.2255 -42.2255 -21.2108 -21.2108 -21.1120 -21.1120 -20.7355 -20.7355 -20.6355 -20.6355 -20.6046 -20.6046 -20.5968 -20.5968 -9.4098 -9.4098 -9.2185 -9.2185 1.2835 1.2835 2.4321 2.4321 3.6499 3.6499 3.7285 3.7285 3.7450 3.7450 3.8262 3.8262 5.3421 5.3421 7.6889 7.6889 8.8939 8.8939 8.9188 8.9188 9.0833 9.0833 9.3599 9.3602 k = 0.0218-0.0541-0.0985 ( 3885 PWs) bands (ev): -42.2589 -42.2589 -42.2254 -42.2254 -21.2109 -21.2109 -21.1126 -21.1126 -20.7356 -20.7356 -20.6366 -20.6366 -20.6044 -20.6044 -20.5974 -20.5974 -9.4067 -9.4067 -9.2159 -9.2159 1.2901 1.2901 2.4356 2.4356 3.6367 3.6367 3.7117 3.7117 3.7341 3.7341 3.8166 3.8166 5.3550 5.3550 7.6846 7.6846 8.8794 8.8794 8.9196 8.9196 9.0877 9.0877 9.3649 9.3659 k = 0.0272-0.0676-0.1231 ( 3883 PWs) bands (ev): -42.2587 -42.2587 -42.2253 -42.2253 -21.2110 -21.2110 -21.1132 -21.1132 -20.7357 -20.7357 -20.6380 -20.6380 -20.6042 -20.6042 -20.5983 -20.5983 -9.4028 -9.4028 -9.2126 -9.2126 1.2985 1.2985 2.4400 2.4400 3.6184 3.6184 3.6871 3.6871 3.7227 3.7227 3.8071 3.8071 5.3710 5.3710 7.6791 7.6791 8.8608 8.8608 8.9213 8.9213 9.0931 9.0931 9.3710 9.3714 k = 0.0327-0.0811-0.1477 ( 3889 PWs) bands (ev): -42.2585 -42.2585 -42.2252 -42.2252 -21.2112 -21.2112 -21.1141 -21.1141 -20.7359 -20.7359 -20.6396 -20.6396 -20.6042 -20.6042 -20.5991 -20.5991 -9.3979 -9.3979 -9.2086 -9.2086 1.3087 1.3087 2.4454 2.4454 3.5948 3.5948 3.6546 3.6546 3.7118 3.7118 3.7978 3.7978 5.3896 5.3896 7.6725 7.6725 8.8386 8.8386 8.9237 8.9237 9.0992 9.0992 9.3780 9.3787 k = 0.0381-0.0946-0.1724 ( 3889 PWs) bands (ev): -42.2582 -42.2582 -42.2251 -42.2251 -21.2113 -21.2113 -21.1151 -21.1151 -20.7360 -20.7360 -20.6415 -20.6415 -20.6046 -20.6046 -20.5998 -20.5998 -9.3923 -9.3923 -9.2039 -9.2039 1.3206 1.3206 2.4516 2.4516 3.5659 3.5659 3.6152 3.6152 3.7012 3.7012 3.7886 3.7886 5.4105 5.4105 7.6649 7.6649 8.8132 8.8132 8.9269 8.9269 9.1060 9.1060 9.3859 9.3861 k = 0.0436-0.1081-0.1970 ( 3885 PWs) bands (ev): -42.2578 -42.2578 -42.2250 -42.2250 -21.2116 -21.2116 -21.1162 -21.1162 -20.7362 -20.7362 -20.6435 -20.6435 -20.6054 -20.6054 -20.6002 -20.6002 -9.3858 -9.3858 -9.1986 -9.1986 1.3343 1.3343 2.4587 2.4587 3.5320 3.5320 3.5700 3.5700 3.6906 3.6906 3.7792 3.7792 5.4332 5.4332 7.6563 7.6563 8.7850 8.7850 8.9310 8.9310 9.1133 9.1133 9.3938 9.3949 k = 0.0490-0.1217-0.2216 ( 3883 PWs) bands (ev): -42.2575 -42.2575 -42.2248 -42.2248 -21.2118 -21.2118 -21.1174 -21.1174 -20.7364 -20.7364 -20.6457 -20.6457 -20.6068 -20.6068 -20.6003 -20.6003 -9.3785 -9.3785 -9.1925 -9.1925 1.3497 1.3497 2.4666 2.4666 3.4934 3.4934 3.5202 3.5202 3.6798 3.6798 3.7692 3.7692 5.4575 5.4575 7.6469 7.6469 8.7544 8.7544 8.9361 8.9361 9.1208 9.1208 9.4014 9.4043 k = 0.0544-0.1352-0.2462 ( 3879 PWs) bands (ev): -42.2570 -42.2570 -42.2246 -42.2246 -21.2121 -21.2121 -21.1188 -21.1188 -20.7367 -20.7367 -20.6480 -20.6480 -20.6085 -20.6085 -20.6002 -20.6002 -9.3703 -9.3703 -9.1858 -9.1858 1.3667 1.3667 2.4752 2.4752 3.4504 3.4504 3.4668 3.4668 3.6685 3.6685 3.7585 3.7585 5.4830 5.4830 7.6367 7.6367 8.7215 8.7215 8.9422 8.9422 9.1284 9.1284 9.4077 9.4108 k = 0.0599-0.1487-0.2709 ( 3873 PWs) bands (ev): -42.2566 -42.2566 -42.2244 -42.2244 -21.2124 -21.2124 -21.1203 -21.1203 -20.7369 -20.7369 -20.6505 -20.6505 -20.6106 -20.6106 -20.6001 -20.6001 -9.3615 -9.3615 -9.1785 -9.1785 1.3853 1.3853 2.4844 2.4844 3.4016 3.4016 3.4121 3.4121 3.6564 3.6564 3.7470 3.7470 5.5095 5.5095 7.6258 7.6258 8.6868 8.6868 8.9493 8.9493 9.1359 9.1359 9.4115 9.4118 k = 0.0653-0.1622-0.2955 ( 3875 PWs) bands (ev): -42.2561 -42.2561 -42.2242 -42.2242 -21.2128 -21.2128 -21.1220 -21.1220 -20.7372 -20.7372 -20.6530 -20.6530 -20.6129 -20.6129 -20.6000 -20.6000 -9.3518 -9.3518 -9.1706 -9.1706 1.4054 1.4054 2.4941 2.4941 3.3448 3.3448 3.3597 3.3597 3.6435 3.6435 3.7346 3.7346 5.5367 5.5367 7.6144 7.6144 8.6504 8.6504 8.9576 8.9576 9.1433 9.1433 9.4138 9.4139 k = 0.0708-0.1757-0.3201 ( 3881 PWs) bands (ev): -42.2555 -42.2555 -42.2240 -42.2240 -21.2132 -21.2132 -21.1238 -21.1238 -20.7375 -20.7375 -20.6557 -20.6557 -20.6154 -20.6154 -20.5999 -20.5999 -9.3415 -9.3415 -9.1621 -9.1621 1.4270 1.4270 2.5043 2.5043 3.2831 3.2831 3.3072 3.3072 3.6297 3.6297 3.7211 3.7211 5.5646 5.5646 7.6025 7.6025 8.6125 8.6125 8.9670 8.9670 9.1505 9.1505 9.4142 9.4142 k = 0.0762-0.1893-0.3447 ( 3883 PWs) bands (ev): -42.2550 -42.2550 -42.2238 -42.2238 -21.2137 -21.2137 -21.1258 -21.1258 -20.7379 -20.7379 -20.6585 -20.6585 -20.6180 -20.6180 -20.5998 -20.5998 -9.3304 -9.3304 -9.1530 -9.1530 1.4499 1.4499 2.5149 2.5149 3.2192 3.2192 3.2530 3.2530 3.6148 3.6148 3.7066 3.7066 5.5930 5.5930 7.5904 7.5904 8.5736 8.5736 8.9777 8.9777 9.1575 9.1575 9.4129 9.4129 k = 0.0817-0.2028-0.3694 ( 3881 PWs) bands (ev): -42.2544 -42.2544 -42.2235 -42.2235 -21.2141 -21.2141 -21.1278 -21.1278 -20.7382 -20.7382 -20.6613 -20.6613 -20.6207 -20.6207 -20.5998 -20.5998 -9.3187 -9.3187 -9.1434 -9.1434 1.4740 1.4740 2.5256 2.5256 3.1537 3.1537 3.1971 3.1971 3.5987 3.5987 3.6911 3.6911 5.6218 5.6218 7.5780 7.5780 8.5336 8.5336 8.9895 8.9895 9.1643 9.1643 9.4102 9.4102 k = 0.0871-0.2163-0.3940 ( 3879 PWs) bands (ev): -42.2537 -42.2537 -42.2233 -42.2233 -21.2146 -21.2146 -21.1300 -21.1300 -20.7386 -20.7386 -20.6641 -20.6641 -20.6236 -20.6236 -20.5999 -20.5999 -9.3064 -9.3064 -9.1333 -9.1333 1.4994 1.4994 2.5363 2.5363 3.0873 3.0873 3.1400 3.1400 3.5816 3.5816 3.6744 3.6744 5.6510 5.6510 7.5656 7.5656 8.4929 8.4929 9.0025 9.0025 9.1711 9.1711 9.4064 9.4064 k = 0.0926-0.2298-0.4186 ( 3881 PWs) bands (ev): -42.2531 -42.2531 -42.2230 -42.2230 -21.2152 -21.2152 -21.1323 -21.1323 -20.7390 -20.7390 -20.6670 -20.6670 -20.6266 -20.6266 -20.6001 -20.6001 -9.2935 -9.2935 -9.1228 -9.1228 1.5258 1.5258 2.5467 2.5467 3.0203 3.0203 3.0820 3.0820 3.5632 3.5632 3.6566 3.6566 5.6806 5.6806 7.5533 7.5533 8.4516 8.4516 9.0167 9.0167 9.1777 9.1777 9.4018 9.4018 k = 0.0980-0.2433-0.4432 ( 3883 PWs) bands (ev): -42.2524 -42.2524 -42.2228 -42.2228 -21.2158 -21.2158 -21.1347 -21.1347 -20.7394 -20.7394 -20.6699 -20.6699 -20.6296 -20.6296 -20.6003 -20.6003 -9.2800 -9.2800 -9.1118 -9.1118 1.5531 1.5531 2.5565 2.5565 2.9531 2.9531 3.0238 3.0238 3.5436 3.5436 3.6377 3.6377 5.7105 5.7105 7.5411 7.5411 8.4099 8.4099 9.0320 9.0320 9.1845 9.1845 9.3968 9.3968 k = 0.1034-0.2568-0.4679 ( 3887 PWs) bands (ev): -42.2516 -42.2516 -42.2225 -42.2225 -21.2165 -21.2165 -21.1372 -21.1372 -20.7399 -20.7399 -20.6729 -20.6729 -20.6327 -20.6327 -20.6006 -20.6006 -9.2660 -9.2660 -9.1004 -9.1004 1.5813 1.5813 2.5651 2.5651 2.8861 2.8861 2.9660 2.9660 3.5228 3.5228 3.6176 3.6176 5.7408 5.7408 7.5291 7.5291 8.3680 8.3680 9.0484 9.0484 9.1915 9.1915 9.3917 9.3917 k = 0.1089-0.2704-0.4925 ( 3885 PWs) bands (ev): -42.2509 -42.2509 -42.2222 -42.2222 -21.2171 -21.2171 -21.1398 -21.1398 -20.7404 -20.7404 -20.6758 -20.6758 -20.6358 -20.6358 -20.6010 -20.6010 -9.2515 -9.2515 -9.0886 -9.0886 1.6102 1.6102 2.5717 2.5717 2.8197 2.8197 2.9097 2.9097 3.5008 3.5008 3.5964 3.5964 5.7715 5.7715 7.5176 7.5176 8.3259 8.3259 9.0658 9.0658 9.1988 9.1988 9.3866 9.3866 k = 0.1143-0.2839-0.5171 ( 3887 PWs) bands (ev): -42.2501 -42.2501 -42.2220 -42.2220 -21.2178 -21.2178 -21.1425 -21.1425 -20.7409 -20.7409 -20.6788 -20.6788 -20.6389 -20.6389 -20.6014 -20.6014 -9.2365 -9.2365 -9.0765 -9.0765 1.6396 1.6396 2.5746 2.5746 2.7544 2.7544 2.8567 2.8567 3.4775 3.4775 3.5740 3.5740 5.8026 5.8026 7.5065 7.5065 8.2839 8.2839 9.0841 9.0841 9.2066 9.2066 9.3817 9.3817 k = 0.1198-0.2974-0.5417 ( 3879 PWs) bands (ev): -42.2493 -42.2493 -42.2217 -42.2217 -21.2186 -21.2186 -21.1453 -21.1453 -20.7414 -20.7414 -20.6817 -20.6817 -20.6420 -20.6420 -20.6019 -20.6019 -9.2212 -9.2212 -9.0642 -9.0642 1.6693 1.6693 2.5709 2.5709 2.6908 2.6908 2.8095 2.8095 3.4531 3.4531 3.5505 3.5505 5.8342 5.8342 7.4960 7.4960 8.2420 8.2420 9.1032 9.1032 9.2148 9.2148 9.3773 9.3773 k = 0.1252-0.3109-0.5664 ( 3875 PWs) bands (ev): -42.2485 -42.2485 -42.2214 -42.2214 -21.2193 -21.2193 -21.1481 -21.1481 -20.7419 -20.7419 -20.6847 -20.6847 -20.6451 -20.6451 -20.6025 -20.6025 -9.2055 -9.2055 -9.0515 -9.0515 1.6992 1.6992 2.5561 2.5561 2.6301 2.6301 2.7722 2.7722 3.4274 3.4274 3.5258 3.5258 5.8663 5.8663 7.4861 7.4861 8.2004 8.2004 9.1231 9.1231 9.2236 9.2236 9.3734 9.3734 k = 0.1307-0.3244-0.5910 ( 3877 PWs) bands (ev): -42.2477 -42.2477 -42.2211 -42.2211 -21.2202 -21.2202 -21.1510 -21.1510 -20.7426 -20.7426 -20.6876 -20.6876 -20.6482 -20.6482 -20.6032 -20.6032 -9.1895 -9.1895 -9.0387 -9.0387 1.7289 1.7289 2.5256 2.5256 2.5739 2.5739 2.7482 2.7482 3.4005 3.4005 3.4999 3.4999 5.8988 5.8988 7.4769 7.4769 8.1593 8.1593 9.1436 9.1436 9.2330 9.2330 9.3702 9.3702 k = 0.1361-0.3380-0.6156 ( 3875 PWs) bands (ev): -42.2468 -42.2468 -42.2209 -42.2209 -21.2210 -21.2210 -21.1539 -21.1539 -20.7432 -20.7432 -20.6905 -20.6905 -20.6512 -20.6512 -20.6040 -20.6040 -9.1732 -9.1732 -9.0257 -9.0257 1.7581 1.7581 2.4806 2.4806 2.5221 2.5221 2.7369 2.7369 3.3725 3.3725 3.4729 3.4729 5.9320 5.9320 7.4685 7.4685 8.1186 8.1186 9.1646 9.1646 9.2430 9.2430 9.3677 9.3677 k = 0.1416-0.3515-0.6402 ( 3877 PWs) bands (ev): -42.2460 -42.2460 -42.2206 -42.2206 -21.2218 -21.2218 -21.1570 -21.1570 -20.7439 -20.7439 -20.6934 -20.6934 -20.6541 -20.6541 -20.6048 -20.6048 -9.1567 -9.1567 -9.0125 -9.0125 1.7864 1.7864 2.4291 2.4291 2.4713 2.4713 2.7345 2.7345 3.3434 3.3434 3.4449 3.4449 5.9657 5.9657 7.4609 7.4609 8.0785 8.0785 9.1859 9.1859 9.2537 9.2537 9.3661 9.3661 k = 0.1470-0.3650-0.6649 ( 3879 PWs) bands (ev): -42.2451 -42.2451 -42.2203 -42.2203 -21.2227 -21.2227 -21.1600 -21.1600 -20.7446 -20.7446 -20.6962 -20.6962 -20.6570 -20.6570 -20.6057 -20.6057 -9.1400 -9.1400 -8.9993 -8.9993 1.8131 1.8131 2.3772 2.3772 2.4200 2.4200 2.7372 2.7372 3.3133 3.3133 3.4157 3.4157 6.0001 6.0001 7.4542 7.4542 8.0390 8.0390 9.2073 9.2073 9.2649 9.2649 9.3653 9.3653 k = 0.1524-0.3785-0.6895 ( 3871 PWs) bands (ev): -42.2442 -42.2442 -42.2201 -42.2201 -21.2235 -21.2235 -21.1631 -21.1631 -20.7453 -20.7453 -20.6989 -20.6989 -20.6597 -20.6597 -20.6067 -20.6067 -9.1231 -9.1231 -8.9861 -8.9861 1.8375 1.8375 2.3274 2.3274 2.3690 2.3690 2.7426 2.7426 3.2821 3.2821 3.3854 3.3854 6.0351 6.0351 7.4484 7.4484 8.0004 8.0004 9.2286 9.2286 9.2766 9.2766 9.3656 9.3656 k = 0.1579-0.3920-0.7141 ( 3869 PWs) bands (ev): -42.2433 -42.2433 -42.2198 -42.2198 -21.2244 -21.2244 -21.1661 -21.1661 -20.7461 -20.7461 -20.7017 -20.7017 -20.6624 -20.6624 -20.6077 -20.6077 -9.1063 -9.1063 -8.9728 -8.9728 1.8584 1.8584 2.2811 2.2811 2.3197 2.3197 2.7494 2.7494 3.2500 3.2500 3.3542 3.3542 6.0707 6.0707 7.4436 7.4436 7.9626 7.9626 9.2497 9.2497 9.2887 9.2887 9.3670 9.3670 k = 0.1633-0.4055-0.7387 ( 3869 PWs) bands (ev): -42.2424 -42.2424 -42.2196 -42.2196 -21.2253 -21.2253 -21.1692 -21.1692 -20.7470 -20.7470 -20.7043 -20.7043 -20.6648 -20.6648 -20.6088 -20.6088 -9.0893 -9.0893 -8.9596 -8.9596 1.8740 1.8740 2.2380 2.2380 2.2749 2.2749 2.7568 2.7568 3.2171 3.2171 3.3219 3.3219 6.1071 6.1071 7.4396 7.4396 7.9257 7.9257 9.2702 9.2702 9.3012 9.3012 9.3695 9.3695 k = 0.1688-0.4191-0.7634 ( 3873 PWs) bands (ev): -42.2415 -42.2415 -42.2194 -42.2194 -21.2262 -21.2262 -21.1723 -21.1723 -20.7479 -20.7479 -20.7070 -20.7070 -20.6672 -20.6672 -20.6099 -20.6099 -9.0724 -9.0724 -8.9465 -8.9465 1.8825 1.8825 2.1956 2.1956 2.2395 2.2395 2.7643 2.7643 3.1833 3.1833 3.2888 3.2888 6.1441 6.1441 7.4365 7.4365 7.8897 7.8897 9.2898 9.2898 9.3140 9.3140 9.3735 9.3735 k = 0.1742-0.4326-0.7880 ( 3871 PWs) bands (ev): -42.2407 -42.2407 -42.2191 -42.2191 -21.2271 -21.2271 -21.1753 -21.1753 -20.7489 -20.7489 -20.7095 -20.7095 -20.6694 -20.6694 -20.6111 -20.6111 -9.0556 -9.0556 -8.9335 -8.9335 1.8821 1.8821 2.1519 2.1519 2.2178 2.2178 2.7716 2.7716 3.1488 3.1488 3.2547 3.2547 6.1818 6.1818 7.4344 7.4344 7.8547 7.8547 9.3078 9.3078 9.3271 9.3271 9.3792 9.3792 k = 0.1797-0.4461-0.8126 ( 3865 PWs) bands (ev): -42.2398 -42.2398 -42.2189 -42.2189 -21.2279 -21.2279 -21.1783 -21.1783 -20.7499 -20.7499 -20.7120 -20.7120 -20.6714 -20.6714 -20.6124 -20.6124 -9.0388 -9.0388 -8.9207 -8.9207 1.8723 1.8723 2.1080 2.1080 2.2095 2.2095 2.7785 2.7785 3.1137 3.1137 3.2199 3.2199 6.2201 6.2201 7.4331 7.4331 7.8208 7.8208 9.3239 9.3239 9.3403 9.3403 9.3869 9.3869 k = 0.1851-0.4596-0.8372 ( 3861 PWs) bands (ev): -42.2389 -42.2389 -42.2188 -42.2188 -21.2287 -21.2287 -21.1813 -21.1813 -20.7510 -20.7510 -20.7144 -20.7144 -20.6732 -20.6732 -20.6137 -20.6137 -9.0222 -9.0222 -8.9081 -8.9081 1.8546 1.8546 2.0651 2.0651 2.2120 2.2120 2.7847 2.7847 3.0781 3.0781 3.1845 3.1845 6.2591 6.2591 7.4326 7.4326 7.7879 7.7879 9.3377 9.3377 9.3533 9.3533 9.3971 9.3971 k = 0.1906-0.4731-0.8619 ( 3863 PWs) bands (ev): -42.2380 -42.2380 -42.2186 -42.2186 -21.2296 -21.2296 -21.1843 -21.1843 -20.7521 -20.7521 -20.7168 -20.7168 -20.6749 -20.6749 -20.6151 -20.6151 -9.0059 -9.0059 -8.8958 -8.8958 1.8314 1.8314 2.0240 2.0240 2.2222 2.2222 2.7902 2.7902 3.0421 3.0421 3.1484 3.1484 6.2987 6.2987 7.4329 7.4329 7.7561 7.7561 9.3496 9.3496 9.3657 9.3657 9.4097 9.4097 k = 0.1960-0.4867-0.8865 ( 3863 PWs) bands (ev): -42.2371 -42.2371 -42.2184 -42.2184 -21.2303 -21.2303 -21.1872 -21.1872 -20.7533 -20.7533 -20.7191 -20.7191 -20.6763 -20.6763 -20.6165 -20.6165 -8.9897 -8.9897 -8.8838 -8.8838 1.8053 1.8053 1.9850 1.9850 2.2375 2.2375 2.7946 2.7946 3.0058 3.0058 3.1121 3.1121 6.3389 6.3389 7.4337 7.4337 7.7254 7.7254 9.3600 9.3600 9.3771 9.3771 9.4245 9.4245 k = 0.2014-0.5002-0.9111 ( 3865 PWs) bands (ev): -42.2363 -42.2363 -42.2183 -42.2183 -21.2311 -21.2311 -21.1900 -21.1900 -20.7545 -20.7545 -20.7214 -20.7214 -20.6776 -20.6776 -20.6180 -20.6180 -8.9739 -8.9739 -8.8721 -8.8721 1.7781 1.7781 1.9486 1.9486 2.2557 2.2557 2.7977 2.7977 2.9693 2.9693 3.0756 3.0756 6.3796 6.3796 7.4352 7.4352 7.6959 7.6959 9.3696 9.3696 9.3878 9.3878 9.4406 9.4406 k = 0.2069-0.5137-0.9357 ( 3869 PWs) bands (ev): -42.2354 -42.2354 -42.2182 -42.2182 -21.2318 -21.2318 -21.1928 -21.1928 -20.7558 -20.7558 -20.7235 -20.7235 -20.6787 -20.6787 -20.6195 -20.6195 -8.9584 -8.9584 -8.8608 -8.8608 1.7511 1.7511 1.9147 1.9147 2.2752 2.2752 2.7991 2.7991 2.9330 2.9330 3.0395 3.0395 6.4208 6.4208 7.4372 7.4372 7.6675 7.6675 9.3787 9.3787 9.3979 9.3979 9.4575 9.4575 k = 0.2123-0.5272-0.9604 ( 3865 PWs) bands (ev): -42.2346 -42.2346 -42.2181 -42.2181 -21.2324 -21.2324 -21.1955 -21.1955 -20.7571 -20.7571 -20.7256 -20.7256 -20.6796 -20.6796 -20.6211 -20.6211 -8.9433 -8.9433 -8.8499 -8.8499 1.7253 1.7253 1.8836 1.8836 2.2951 2.2951 2.7982 2.7982 2.8970 2.8970 3.0045 3.0045 6.4623 6.4623 7.4395 7.4395 7.6402 7.6402 9.3875 9.3875 9.4075 9.4075 9.4750 9.4750 k = 0.2178-0.5407-0.9850 ( 3857 PWs) bands (ev): -42.2337 -42.2337 -42.2180 -42.2180 -21.2330 -21.2330 -21.1980 -21.1980 -20.7585 -20.7585 -20.7276 -20.7276 -20.6804 -20.6804 -20.6226 -20.6226 -8.9286 -8.9286 -8.8395 -8.8395 1.7013 1.7013 1.8554 1.8554 2.3144 2.3144 2.7939 2.7939 2.8617 2.8617 2.9714 2.9714 6.5042 6.5042 7.4420 7.4420 7.6141 7.6141 9.3963 9.3963 9.4167 9.4167 9.4930 9.4930 k = 0.2232-0.5542-1.0096 ( 3857 PWs) bands (ev): -42.2329 -42.2329 -42.2180 -42.2180 -21.2335 -21.2335 -21.2005 -21.2005 -20.7598 -20.7598 -20.7295 -20.7295 -20.6809 -20.6809 -20.6242 -20.6242 -8.9143 -8.9143 -8.8295 -8.8295 1.6794 1.6794 1.8301 1.8301 2.3323 2.3323 2.7847 2.7847 2.8276 2.8276 2.9419 2.9419 6.5463 6.5463 7.4447 7.4447 7.5891 7.5891 9.4053 9.4053 9.4257 9.4257 9.5113 9.5113 k = 0.2287-0.5678-1.0342 ( 3863 PWs) bands (ev): -42.2321 -42.2321 -42.2179 -42.2179 -21.2340 -21.2340 -21.2030 -21.2030 -20.7612 -20.7612 -20.7314 -20.7314 -20.6814 -20.6814 -20.6259 -20.6259 -8.9005 -8.9005 -8.8200 -8.8200 1.6599 1.6599 1.8079 1.8079 2.3482 2.3482 2.7687 2.7687 2.7953 2.7953 2.9177 2.9177 6.5884 6.5884 7.4473 7.4473 7.5652 7.5652 9.4144 9.4144 9.4344 9.4344 9.5300 9.5300 k = 0.2341-0.5813-1.0589 ( 3859 PWs) bands (ev): -42.2313 -42.2313 -42.2179 -42.2179 -21.2344 -21.2344 -21.2052 -21.2052 -20.7626 -20.7626 -20.7331 -20.7331 -20.6816 -20.6816 -20.6275 -20.6275 -8.8873 -8.8873 -8.8111 -8.8111 1.6431 1.6431 1.7888 1.7888 2.3612 2.3612 2.7450 2.7450 2.7655 2.7655 2.8998 2.8998 6.6306 6.6306 7.4499 7.4499 7.5425 7.5425 9.4239 9.4239 9.4431 9.4431 9.5492 9.5492 k = 0.2396-0.5948-1.0835 ( 3859 PWs) bands (ev): -42.2306 -42.2306 -42.2179 -42.2179 -21.2347 -21.2347 -21.2074 -21.2074 -20.7639 -20.7639 -20.7348 -20.7348 -20.6818 -20.6818 -20.6292 -20.6292 -8.8745 -8.8745 -8.8027 -8.8027 1.6291 1.6291 1.7729 1.7729 2.3703 2.3703 2.7153 2.7153 2.7381 2.7381 2.8876 2.8876 6.6725 6.6725 7.4521 7.4521 7.5209 7.5209 9.4337 9.4337 9.4519 9.4519 9.5691 9.5691 k = 0.2450-0.6083-1.1081 ( 3859 PWs) bands (ev): -42.2299 -42.2299 -42.2180 -42.2180 -21.2350 -21.2350 -21.2095 -21.2095 -20.7653 -20.7653 -20.7363 -20.7363 -20.6818 -20.6818 -20.6308 -20.6308 -8.8624 -8.8624 -8.7948 -8.7948 1.6180 1.6180 1.7602 1.7602 2.3745 2.3745 2.6812 2.6812 2.7142 2.7142 2.8794 2.8794 6.7141 6.7141 7.4541 7.4541 7.5005 7.5005 9.4439 9.4439 9.4608 9.4608 9.5895 9.5895 k = 0.2504-0.6218-1.1327 ( 3859 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2352 -21.2352 -21.2114 -21.2114 -20.7666 -20.7666 -20.7378 -20.7378 -20.6817 -20.6817 -20.6325 -20.6325 -8.8508 -8.8508 -8.7876 -8.7876 1.6098 1.6098 1.7507 1.7507 2.3728 2.3728 2.6439 2.6439 2.6954 2.6954 2.8735 2.8735 6.7551 6.7551 7.4555 7.4555 7.4813 7.4813 9.4545 9.4545 9.4699 9.4699 9.6106 9.6106 k = 0.2559-0.6354-1.1574 ( 3845 PWs) bands (ev): -42.2284 -42.2284 -42.2181 -42.2181 -21.2354 -21.2354 -21.2132 -21.2132 -20.7679 -20.7679 -20.7391 -20.7391 -20.6815 -20.6815 -20.6341 -20.6341 -8.8399 -8.8399 -8.7810 -8.7810 1.6047 1.6047 1.7444 1.7444 2.3646 2.3646 2.6044 2.6044 2.6824 2.6824 2.8690 2.8690 6.7954 6.7954 7.4563 7.4563 7.4635 7.4635 9.4655 9.4655 9.4795 9.4795 9.6324 9.6324 k = 0.2613-0.6489-1.1820 ( 3843 PWs) bands (ev): -42.2278 -42.2278 -42.2182 -42.2182 -21.2355 -21.2355 -21.2149 -21.2149 -20.7691 -20.7691 -20.7403 -20.7403 -20.6813 -20.6813 -20.6357 -20.6357 -8.8295 -8.8295 -8.7750 -8.7750 1.6025 1.6025 1.7414 1.7414 2.3499 2.3499 2.5635 2.5635 2.6752 2.6752 2.8650 2.8650 6.8347 6.8347 7.4461 7.4461 7.4572 7.4572 9.4766 9.4766 9.4898 9.4898 9.6549 9.6549 k = 0.2668-0.6624-1.2066 ( 3853 PWs) bands (ev): -42.2271 -42.2271 -42.2183 -42.2183 -21.2355 -21.2355 -21.2165 -21.2165 -20.7703 -20.7703 -20.7415 -20.7415 -20.6809 -20.6809 -20.6373 -20.6373 -8.8199 -8.8199 -8.7696 -8.7696 1.6033 1.6033 1.7417 1.7417 2.3295 2.3295 2.5216 2.5216 2.6731 2.6731 2.8613 2.8613 6.8727 6.8727 7.4307 7.4307 7.4567 7.4567 9.4877 9.4877 9.5011 9.5011 9.6779 9.6779 k = 0.2722-0.6759-1.2312 ( 3848 PWs) bands (ev): -42.2265 -42.2265 -42.2184 -42.2184 -21.2355 -21.2355 -21.2179 -21.2179 -20.7714 -20.7714 -20.7425 -20.7425 -20.6806 -20.6806 -20.6388 -20.6388 -8.8108 -8.8108 -8.7648 -8.7648 1.6071 1.6071 1.7452 1.7452 2.3045 2.3045 2.4792 2.4792 2.6750 2.6750 2.8575 2.8575 6.9092 6.9092 7.4166 7.4166 7.4556 7.4556 9.4982 9.4982 9.5137 9.5137 9.7014 9.7014 k = 0.2777-0.6894-1.2559 ( 3850 PWs) bands (ev): -42.2259 -42.2259 -42.2186 -42.2186 -21.2355 -21.2355 -21.2192 -21.2192 -20.7725 -20.7725 -20.7434 -20.7434 -20.6801 -20.6801 -20.6403 -20.6403 -8.8025 -8.8025 -8.7607 -8.7607 1.6138 1.6138 1.7519 1.7519 2.2762 2.2762 2.4364 2.4364 2.6797 2.6797 2.8536 2.8536 6.9438 6.9438 7.4039 7.4039 7.4538 7.4538 9.5082 9.5082 9.5279 9.5279 9.7252 9.7252 k = 0.2831-0.7029-1.2805 ( 3846 PWs) bands (ev): -42.2253 -42.2253 -42.2188 -42.2188 -21.2354 -21.2354 -21.2204 -21.2204 -20.7734 -20.7734 -20.7442 -20.7442 -20.6797 -20.6797 -20.6417 -20.6417 -8.7948 -8.7948 -8.7572 -8.7572 1.6233 1.6233 1.7619 1.7619 2.2456 2.2456 2.3935 2.3935 2.6863 2.6863 2.8494 2.8494 6.9762 6.9762 7.3930 7.3930 7.4512 7.4512 9.5175 9.5175 9.5433 9.5433 9.7491 9.7491 k = 0.2886-0.7165-1.3051 ( 3848 PWs) bands (ev): -42.2248 -42.2248 -42.2190 -42.2190 -21.2353 -21.2353 -21.2215 -21.2215 -20.7743 -20.7743 -20.7449 -20.7449 -20.6792 -20.6792 -20.6431 -20.6431 -8.7877 -8.7877 -8.7543 -8.7543 1.6354 1.6354 1.7749 1.7749 2.2136 2.2136 2.3506 2.3506 2.6940 2.6940 2.8450 2.8450 7.0059 7.0059 7.3840 7.3840 7.4479 7.4479 9.5262 9.5262 9.5599 9.5599 9.7727 9.7727 k = 0.2940-0.7300-1.3297 ( 3852 PWs) bands (ev): -42.2243 -42.2243 -42.2192 -42.2192 -21.2352 -21.2352 -21.2224 -21.2224 -20.7751 -20.7751 -20.7455 -20.7455 -20.6788 -20.6788 -20.6443 -20.6443 -8.7813 -8.7813 -8.7520 -8.7520 1.6499 1.6499 1.7910 1.7910 2.1811 2.1811 2.3079 2.3079 2.7024 2.7024 2.8402 2.8402 7.0325 7.0325 7.3771 7.3771 7.4439 7.4439 9.5341 9.5341 9.5775 9.5775 9.7956 9.7956 k = 0.2994-0.7435-1.3544 ( 3848 PWs) bands (ev): -42.2238 -42.2238 -42.2194 -42.2194 -21.2350 -21.2350 -21.2232 -21.2232 -20.7758 -20.7758 -20.7461 -20.7461 -20.6783 -20.6783 -20.6455 -20.6455 -8.7756 -8.7756 -8.7503 -8.7503 1.6665 1.6665 1.8101 1.8101 2.1486 2.1486 2.2655 2.2655 2.7110 2.7110 2.8351 2.8351 7.0556 7.0556 7.3727 7.3727 7.4393 7.4393 9.5410 9.5410 9.5959 9.5959 9.8173 9.8173 k = 0.3049-0.7570-1.3790 ( 3842 PWs) bands (ev): -42.2233 -42.2233 -42.2197 -42.2197 -21.2349 -21.2349 -21.2238 -21.2238 -20.7764 -20.7764 -20.7465 -20.7465 -20.6779 -20.6779 -20.6464 -20.6464 -8.7705 -8.7705 -8.7491 -8.7491 1.6847 1.6847 1.8320 1.8320 2.1169 2.1169 2.2236 2.2236 2.7196 2.7196 2.8296 2.8296 7.0747 7.0747 7.3709 7.3709 7.4341 7.4341 9.5468 9.5468 9.6147 9.6147 9.8370 9.8370 k = 0.3103-0.7705-1.4036 ( 3836 PWs) bands (ev): -42.2228 -42.2228 -42.2199 -42.2199 -21.2347 -21.2347 -21.2243 -21.2243 -20.7769 -20.7769 -20.7468 -20.7468 -20.6775 -20.6775 -20.6473 -20.6473 -8.7660 -8.7660 -8.7486 -8.7486 1.7038 1.7038 1.8567 1.8567 2.0868 2.0868 2.1823 2.1823 2.7281 2.7281 2.8239 2.8239 7.0896 7.0896 7.3718 7.3718 7.4284 7.4284 9.5510 9.5510 9.6337 9.6337 9.8539 9.8539 k = 0.3158-0.7840-1.4282 ( 3834 PWs) bands (ev): -42.2224 -42.2224 -42.2202 -42.2202 -21.2346 -21.2346 -21.2247 -21.2247 -20.7773 -20.7773 -20.7470 -20.7470 -20.6772 -20.6772 -20.6480 -20.6480 -8.7622 -8.7622 -8.7485 -8.7485 1.7227 1.7227 1.8839 1.8839 2.0592 2.0592 2.1421 2.1421 2.7362 2.7362 2.8179 2.8179 7.1002 7.1002 7.3753 7.3753 7.4221 7.4221 9.5535 9.5535 9.6521 9.6521 9.8672 9.8672 k = 0.3212-0.7976-1.4529 ( 3838 PWs) bands (ev): -42.2220 -42.2220 -42.2205 -42.2205 -21.2345 -21.2345 -21.2250 -21.2250 -20.7775 -20.7775 -20.7472 -20.7472 -20.6770 -20.6770 -20.6485 -20.6485 -8.7590 -8.7590 -8.7490 -8.7490 1.7396 1.7396 1.9133 1.9133 2.0354 2.0354 2.1039 2.1039 2.7438 2.7438 2.8116 2.8116 7.1068 7.1068 7.3809 7.3809 7.4156 7.4156 9.5540 9.5540 9.6687 9.6687 9.8764 9.8764 k = 0.3267-0.8111-1.4775 ( 3840 PWs) bands (ev): -42.2217 -42.2217 -42.2208 -42.2208 -21.2345 -21.2345 -21.2252 -21.2252 -20.7777 -20.7777 -20.7473 -20.7473 -20.6769 -20.6769 -20.6488 -20.6488 -8.7564 -8.7564 -8.7498 -8.7498 1.7521 1.7521 1.9444 1.9444 2.0154 2.0154 2.0706 2.0706 2.7511 2.7511 2.8052 2.8052 7.1099 7.1099 7.3881 7.3881 7.4087 7.4087 9.5524 9.5524 9.6818 9.6818 9.8819 9.8819 k = 0.3321-0.8246-1.5021 ( 3842 PWs) bands (ev): -42.2213 -42.2213 -42.2212 -42.2212 -21.2345 -21.2345 -21.2253 -21.2253 -20.7778 -20.7778 -20.7474 -20.7474 -20.6768 -20.6768 -20.6490 -20.6490 -8.7548 -8.7548 -8.7508 -8.7508 1.7573 1.7573 1.9761 1.9761 1.9937 1.9937 2.0514 2.0514 2.7577 2.7577 2.7988 2.7988 7.1100 7.1100 7.3955 7.3955 7.4024 7.4024 9.5486 9.5486 9.6883 9.6883 9.8857 9.8857 k = 0.3376-0.8381-1.5267 ( 3840 PWs) bands (ev): -42.2215 -42.2215 -42.2210 -42.2210 -21.2345 -21.2345 -21.2253 -21.2253 -20.7778 -20.7778 -20.7474 -20.7474 -20.6768 -20.6768 -20.6489 -20.6489 -8.7548 -8.7548 -8.7510 -8.7510 1.7536 1.7536 1.9635 1.9635 2.0067 2.0067 2.0564 2.0564 2.7637 2.7637 2.7925 2.7925 7.1078 7.1078 7.3932 7.3932 7.4058 7.4058 9.5428 9.5428 9.6850 9.6850 9.8913 9.8913 k = 0.6624-0.7412-1.4694 ( 3840 PWs) bands (ev): -42.2215 -42.2215 -42.2210 -42.2210 -21.2345 -21.2345 -21.2253 -21.2253 -20.7778 -20.7778 -20.7474 -20.7474 -20.6768 -20.6768 -20.6489 -20.6489 -8.7548 -8.7548 -8.7510 -8.7510 1.7536 1.7536 1.9635 1.9635 2.0067 2.0067 2.0564 2.0564 2.7637 2.7637 2.7925 2.7925 7.1078 7.1078 7.3932 7.3932 7.4058 7.4058 9.5428 9.5428 9.6850 9.6850 9.8913 9.8913 k = 0.6570-0.7133-1.4694 ( 3836 PWs) bands (ev): -42.2218 -42.2218 -42.2207 -42.2207 -21.2345 -21.2345 -21.2252 -21.2252 -20.7777 -20.7777 -20.7473 -20.7473 -20.6769 -20.6769 -20.6487 -20.6487 -8.7566 -8.7566 -8.7503 -8.7503 1.7413 1.7413 1.9290 1.9290 2.0358 2.0358 2.0812 2.0812 2.7684 2.7684 2.7870 2.7870 7.1037 7.1037 7.3861 7.3861 7.4137 7.4137 9.5350 9.5350 9.6694 9.6694 9.9019 9.9019 k = 0.6516-0.6853-1.4694 ( 3836 PWs) bands (ev): -42.2222 -42.2222 -42.2204 -42.2204 -21.2345 -21.2345 -21.2250 -21.2250 -20.7774 -20.7774 -20.7472 -20.7472 -20.6771 -20.6771 -20.6483 -20.6483 -8.7591 -8.7591 -8.7498 -8.7498 1.7226 1.7226 1.8933 1.8933 2.0673 2.0673 2.1162 2.1162 2.7703 2.7703 2.7842 2.7842 7.0983 7.0983 7.3787 7.3787 7.4211 7.4211 9.5256 9.5256 9.6422 9.6422 9.9185 9.9185 k = 0.6462-0.6574-1.4694 ( 3836 PWs) bands (ev): -42.2225 -42.2225 -42.2202 -42.2202 -21.2346 -21.2346 -21.2248 -21.2248 -20.7771 -20.7771 -20.7471 -20.7471 -20.6772 -20.6772 -20.6477 -20.6477 -8.7620 -8.7620 -8.7496 -8.7496 1.6997 1.6997 1.8576 1.8576 2.1030 2.1030 2.1560 2.1560 2.7676 2.7676 2.7856 2.7856 7.0918 7.0918 7.3712 7.3712 7.4274 7.4274 9.5149 9.5149 9.6056 9.6056 9.9403 9.9403 k = 0.6408-0.6295-1.4694 ( 3834 PWs) bands (ev): -42.2229 -42.2229 -42.2199 -42.2199 -21.2347 -21.2347 -21.2246 -21.2246 -20.7767 -20.7767 -20.7469 -20.7469 -20.6774 -20.6774 -20.6470 -20.6470 -8.7653 -8.7653 -8.7498 -8.7498 1.6744 1.6744 1.8224 1.8224 2.1426 2.1426 2.1982 2.1982 2.7630 2.7630 2.7893 2.7893 7.0844 7.0844 7.3638 7.3638 7.4323 7.4323 9.5033 9.5033 9.5625 9.5625 9.9659 9.9659 k = 0.6354-0.6015-1.4694 ( 3832 PWs) bands (ev): -42.2233 -42.2233 -42.2197 -42.2197 -21.2348 -21.2348 -21.2243 -21.2243 -20.7762 -20.7762 -20.7468 -20.7468 -20.6776 -20.6776 -20.6462 -20.6462 -8.7688 -8.7688 -8.7503 -8.7503 1.6476 1.6476 1.7880 1.7880 2.1853 2.1853 2.2417 2.2417 2.7583 2.7583 2.7933 2.7933 7.0764 7.0764 7.3565 7.3565 7.4359 7.4359 9.4908 9.4908 9.5154 9.5154 9.9942 9.9942 k = 0.6300-0.5736-1.4694 ( 3830 PWs) bands (ev): -42.2236 -42.2236 -42.2195 -42.2195 -21.2349 -21.2349 -21.2240 -21.2240 -20.7757 -20.7757 -20.7466 -20.7466 -20.6777 -20.6777 -20.6453 -20.6453 -8.7726 -8.7726 -8.7511 -8.7511 1.6203 1.6203 1.7544 1.7544 2.2304 2.2304 2.2857 2.2857 2.7546 2.7546 2.7973 2.7973 7.0679 7.0679 7.3493 7.3493 7.4378 7.4378 9.4616 9.4616 9.4819 9.4819 10.0245 10.0245 k = 0.6245-0.5457-1.4694 ( 3838 PWs) bands (ev): -42.2240 -42.2240 -42.2193 -42.2193 -21.2350 -21.2350 -21.2238 -21.2238 -20.7750 -20.7750 -20.7465 -20.7465 -20.6779 -20.6779 -20.6443 -20.6443 -8.7766 -8.7766 -8.7522 -8.7522 1.5929 1.5929 1.7217 1.7217 2.2771 2.2771 2.3295 2.3295 2.7523 2.7523 2.8013 2.8013 7.0590 7.0590 7.3422 7.3422 7.4382 7.4382 9.4100 9.4100 9.4695 9.4695 10.0562 10.0562 k = 0.6191-0.5177-1.4694 ( 3844 PWs) bands (ev): -42.2243 -42.2243 -42.2192 -42.2192 -21.2351 -21.2351 -21.2235 -21.2235 -20.7744 -20.7744 -20.7464 -20.7464 -20.6780 -20.6780 -20.6432 -20.6432 -8.7808 -8.7808 -8.7535 -8.7535 1.5657 1.5657 1.6900 1.6900 2.3251 2.3251 2.3720 2.3720 2.7523 2.7523 2.8054 2.8054 7.0499 7.0499 7.3354 7.3354 7.4370 7.4370 9.3566 9.3566 9.4586 9.4586 10.0890 10.0890 k = 0.6137-0.4898-1.4694 ( 3842 PWs) bands (ev): -42.2247 -42.2247 -42.2190 -42.2190 -21.2352 -21.2352 -21.2233 -21.2233 -20.7736 -20.7736 -20.7462 -20.7462 -20.6780 -20.6780 -20.6421 -20.6421 -8.7850 -8.7850 -8.7551 -8.7551 1.5390 1.5390 1.6595 1.6595 2.3735 2.3735 2.4123 2.4123 2.7554 2.7554 2.8096 2.8096 7.0405 7.0405 7.3287 7.3287 7.4344 7.4344 9.3026 9.3026 9.4489 9.4489 10.1225 10.1225 k = 0.6083-0.4618-1.4694 ( 3840 PWs) bands (ev): -42.2250 -42.2250 -42.2189 -42.2189 -21.2353 -21.2353 -21.2230 -21.2230 -20.7729 -20.7729 -20.7461 -20.7461 -20.6780 -20.6780 -20.6409 -20.6409 -8.7894 -8.7894 -8.7569 -8.7569 1.5129 1.5129 1.6300 1.6300 2.4212 2.4212 2.4496 2.4496 2.7628 2.7628 2.8145 2.8145 7.0310 7.0310 7.3223 7.3223 7.4305 7.4305 9.2486 9.2486 9.4404 9.4404 10.1567 10.1567 k = 0.6029-0.4339-1.4694 ( 3838 PWs) bands (ev): -42.2254 -42.2254 -42.2188 -42.2188 -21.2354 -21.2354 -21.2228 -21.2228 -20.7721 -20.7721 -20.7460 -20.7460 -20.6779 -20.6779 -20.6397 -20.6397 -8.7938 -8.7938 -8.7588 -8.7588 1.4876 1.4876 1.6018 1.6018 2.4643 2.4643 2.4858 2.4858 2.7753 2.7753 2.8205 2.8205 7.0213 7.0213 7.3161 7.3161 7.4255 7.4255 9.1950 9.1950 9.4332 9.4332 10.1912 10.1912 k = 0.5975-0.4060-1.4694 ( 3840 PWs) bands (ev): -42.2257 -42.2257 -42.2187 -42.2187 -21.2355 -21.2355 -21.2226 -21.2226 -20.7713 -20.7713 -20.7460 -20.7460 -20.6778 -20.6778 -20.6384 -20.6384 -8.7982 -8.7982 -8.7609 -8.7609 1.4632 1.4632 1.5747 1.5747 2.4944 2.4944 2.5276 2.5276 2.7922 2.7922 2.8296 2.8296 7.0115 7.0115 7.3102 7.3102 7.4194 7.4194 9.1421 9.1421 9.4273 9.4273 10.2258 10.2258 k = 0.5920-0.3780-1.4694 ( 3840 PWs) bands (ev): -42.2261 -42.2261 -42.2186 -42.2186 -21.2356 -21.2356 -21.2224 -21.2224 -20.7705 -20.7705 -20.7459 -20.7459 -20.6777 -20.6777 -20.6371 -20.6371 -8.8026 -8.8026 -8.7630 -8.7630 1.4397 1.4397 1.5489 1.5489 2.5130 2.5130 2.5723 2.5723 2.8099 2.8099 2.8459 2.8459 7.0017 7.0017 7.3045 7.3045 7.4126 7.4126 9.0902 9.0902 9.4228 9.4228 10.2606 10.2606 k = 0.5866-0.3501-1.4694 ( 3840 PWs) bands (ev): -42.2264 -42.2264 -42.2185 -42.2185 -21.2357 -21.2357 -21.2222 -21.2222 -20.7697 -20.7697 -20.7459 -20.7459 -20.6774 -20.6774 -20.6359 -20.6359 -8.8069 -8.8069 -8.7652 -8.7652 1.4173 1.4173 1.5243 1.5243 2.5242 2.5242 2.6155 2.6155 2.8245 2.8245 2.8729 2.8729 6.9919 6.9919 7.2990 7.2990 7.4051 7.4051 9.0395 9.0395 9.4196 9.4196 10.2953 10.2953 k = 0.5812-0.3222-1.4694 ( 3834 PWs) bands (ev): -42.2267 -42.2267 -42.2184 -42.2184 -21.2358 -21.2358 -21.2221 -21.2221 -20.7689 -20.7689 -20.7458 -20.7458 -20.6772 -20.6772 -20.6346 -20.6346 -8.8112 -8.8112 -8.7675 -8.7675 1.3960 1.3960 1.5011 1.5011 2.5303 2.5303 2.6549 2.6549 2.8386 2.8386 2.9080 2.9080 6.9822 6.9822 7.2938 7.2938 7.3972 7.3972 8.9902 8.9902 9.4176 9.4176 10.3297 10.3297 k = 0.5758-0.2942-1.4694 ( 3830 PWs) bands (ev): -42.2270 -42.2270 -42.2183 -42.2183 -21.2359 -21.2359 -21.2219 -21.2219 -20.7681 -20.7681 -20.7458 -20.7458 -20.6769 -20.6769 -20.6333 -20.6333 -8.8153 -8.8153 -8.7697 -8.7697 1.3758 1.3758 1.4793 1.4793 2.5327 2.5327 2.6886 2.6886 2.8557 2.8557 2.9472 2.9472 6.9725 6.9725 7.2889 7.2889 7.3890 7.3890 8.9426 8.9426 9.4168 9.4168 10.3638 10.3638 k = 0.5704-0.2663-1.4694 ( 3826 PWs) bands (ev): -42.2273 -42.2273 -42.2183 -42.2183 -21.2360 -21.2360 -21.2218 -21.2218 -20.7674 -20.7674 -20.7457 -20.7457 -20.6766 -20.6766 -20.6321 -20.6321 -8.8193 -8.8193 -8.7719 -8.7719 1.3568 1.3568 1.4588 1.4588 2.5326 2.5326 2.7150 2.7150 2.8779 2.8779 2.9884 2.9884 6.9630 6.9630 7.2842 7.2842 7.3807 7.3807 8.8967 8.8967 9.4170 9.4170 10.3974 10.3974 k = 0.5650-0.2383-1.4694 ( 3826 PWs) bands (ev): -42.2275 -42.2275 -42.2182 -42.2182 -21.2361 -21.2361 -21.2217 -21.2217 -20.7667 -20.7667 -20.7457 -20.7457 -20.6763 -20.6763 -20.6309 -20.6309 -8.8231 -8.8231 -8.7741 -8.7741 1.3391 1.3391 1.4397 1.4397 2.5308 2.5308 2.7339 2.7339 2.9052 2.9052 3.0300 3.0300 6.9538 6.9538 7.2798 7.2798 7.3725 7.3725 8.8529 8.8529 9.4181 9.4181 10.4303 10.4303 k = 0.5596-0.2104-1.4694 ( 3820 PWs) bands (ev): -42.2278 -42.2278 -42.2182 -42.2182 -21.2362 -21.2362 -21.2216 -21.2216 -20.7661 -20.7661 -20.7456 -20.7456 -20.6760 -20.6760 -20.6297 -20.6297 -8.8267 -8.8267 -8.7762 -8.7762 1.3227 1.3227 1.4221 1.4221 2.5281 2.5281 2.7468 2.7468 2.9363 2.9363 3.0711 3.0711 6.9448 6.9448 7.2757 7.2757 7.3646 7.3646 8.8114 8.8114 9.4198 9.4198 10.4624 10.4624 k = 0.5541-0.1825-1.4694 ( 3824 PWs) bands (ev): -42.2280 -42.2280 -42.2182 -42.2182 -21.2363 -21.2363 -21.2215 -21.2215 -20.7655 -20.7655 -20.7456 -20.7456 -20.6756 -20.6756 -20.6287 -20.6287 -8.8301 -8.8301 -8.7782 -8.7782 1.3076 1.3076 1.4059 1.4059 2.5247 2.5247 2.7554 2.7554 2.9690 2.9690 3.1108 3.1108 6.9362 6.9362 7.2718 7.2718 7.3569 7.3569 8.7724 8.7724 9.4221 9.4221 10.4934 10.4934 k = 0.5487-0.1545-1.4694 ( 3824 PWs) bands (ev): -42.2282 -42.2282 -42.2181 -42.2181 -21.2364 -21.2364 -21.2214 -21.2214 -20.7650 -20.7650 -20.7455 -20.7455 -20.6753 -20.6753 -20.6276 -20.6276 -8.8332 -8.8332 -8.7800 -8.7800 1.2938 1.2938 1.3912 1.3912 2.5211 2.5211 2.7612 2.7612 3.0016 3.0016 3.1486 3.1486 6.9281 6.9281 7.2683 7.2683 7.3497 7.3497 8.7361 8.7361 9.4248 9.4248 10.5232 10.5234 k = 0.5433-0.1266-1.4694 ( 3828 PWs) bands (ev): -42.2284 -42.2284 -42.2181 -42.2181 -21.2365 -21.2365 -21.2214 -21.2214 -20.7646 -20.7646 -20.7454 -20.7454 -20.6750 -20.6750 -20.6267 -20.6267 -8.8360 -8.8360 -8.7817 -8.7817 1.2814 1.2814 1.3780 1.3780 2.5174 2.5174 2.7651 2.7651 3.0328 3.0328 3.1837 3.1837 6.9206 6.9206 7.2650 7.2650 7.3430 7.3430 8.7028 8.7028 9.4277 9.4277 10.5503 10.5506 k = 0.5379-0.0987-1.4694 ( 3830 PWs) bands (ev): -42.2286 -42.2286 -42.2181 -42.2181 -21.2366 -21.2366 -21.2213 -21.2213 -20.7642 -20.7642 -20.7453 -20.7453 -20.6748 -20.6748 -20.6259 -20.6259 -8.8386 -8.8386 -8.7833 -8.7833 1.2704 1.2704 1.3662 1.3662 2.5138 2.5138 2.7679 2.7679 3.0618 3.0618 3.2159 3.2159 6.9136 6.9136 7.2621 7.2621 7.3370 7.3370 8.6727 8.6727 9.4307 9.4307 10.5652 10.5665 k = 0.5325-0.0707-1.4694 ( 3836 PWs) bands (ev): -42.2287 -42.2287 -42.2181 -42.2181 -21.2367 -21.2367 -21.2213 -21.2213 -20.7639 -20.7639 -20.7453 -20.7453 -20.6745 -20.6745 -20.6252 -20.6252 -8.8409 -8.8409 -8.7847 -8.7847 1.2609 1.2609 1.3561 1.3561 2.5106 2.5106 2.7698 2.7698 3.0879 3.0879 3.2447 3.2447 6.9074 6.9074 7.2596 7.2596 7.3316 7.3316 8.6461 8.6461 9.4337 9.4337 10.5753 10.5755 k = 0.5271-0.0428-1.4694 ( 3836 PWs) bands (ev): -42.2289 -42.2289 -42.2181 -42.2181 -21.2368 -21.2368 -21.2213 -21.2213 -20.7636 -20.7636 -20.7452 -20.7452 -20.6743 -20.6743 -20.6245 -20.6245 -8.8428 -8.8428 -8.7859 -8.7859 1.2528 1.2528 1.3474 1.3474 2.5076 2.5076 2.7712 2.7712 3.1107 3.1107 3.2697 3.2697 6.9020 6.9020 7.2574 7.2574 7.3270 7.3270 8.6232 8.6232 9.4364 9.4364 10.5842 10.5842 k = 0.5217-0.0148-1.4694 ( 3834 PWs) bands (ev): -42.2290 -42.2290 -42.2181 -42.2181 -21.2368 -21.2368 -21.2213 -21.2213 -20.7634 -20.7634 -20.7451 -20.7451 -20.6741 -20.6741 -20.6240 -20.6240 -8.8444 -8.8444 -8.7869 -8.7869 1.2461 1.2461 1.3403 1.3403 2.5051 2.5051 2.7722 2.7722 3.1298 3.1298 3.2906 3.2906 6.8975 6.8975 7.2555 7.2555 7.3232 7.3232 8.6041 8.6041 9.4388 9.4388 10.5917 10.5918 k = 0.5162 0.0131-1.4694 ( 3846 PWs) bands (ev): -42.2290 -42.2290 -42.2181 -42.2181 -21.2369 -21.2369 -21.2213 -21.2213 -20.7633 -20.7633 -20.7451 -20.7451 -20.6740 -20.6740 -20.6236 -20.6236 -8.8456 -8.8456 -8.7877 -8.7877 1.2409 1.2409 1.3348 1.3348 2.5031 2.5031 2.7728 2.7728 3.1450 3.1450 3.3071 3.3071 6.8939 6.8939 7.2541 7.2541 7.3202 7.3202 8.5890 8.5890 9.4408 9.4408 10.5978 10.5978 k = 0.5108 0.0410-1.4694 ( 3848 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2369 -21.2369 -21.2213 -21.2213 -20.7632 -20.7632 -20.7451 -20.7451 -20.6739 -20.6739 -20.6233 -20.6233 -8.8465 -8.8465 -8.7882 -8.7882 1.2372 1.2372 1.3309 1.3309 2.5017 2.5017 2.7732 2.7732 3.1559 3.1559 3.3190 3.3190 6.8913 6.8913 7.2531 7.2531 7.3181 7.3181 8.5782 8.5782 9.4422 9.4422 10.6022 10.6023 k = 0.5054 0.0690-1.4694 ( 3850 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6231 -20.6231 -8.8471 -8.8471 -8.7886 -8.7886 1.2349 1.2349 1.3285 1.3285 2.5008 2.5008 2.7735 2.7735 3.1626 3.1626 3.3263 3.3263 6.8897 6.8897 7.2525 7.2525 7.3168 7.3168 8.5716 8.5716 9.4432 9.4432 10.6050 10.6050 k = 0.5000 0.0969-1.4694 ( 3850 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8473 -8.8473 -8.7887 -8.7887 1.2342 1.2342 1.3277 1.3277 2.5005 2.5005 2.7735 2.7735 3.1648 3.1648 3.3287 3.3287 6.8892 6.8892 7.2523 7.2523 7.3164 7.3164 8.5694 8.5694 9.4435 9.4435 10.6059 10.6059 k = 0.5000 0.0969-1.4694 ( 3850 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8473 -8.8473 -8.7887 -8.7887 1.2342 1.2342 1.3277 1.3277 2.5005 2.5005 2.7735 2.7735 3.1648 3.1648 3.3287 3.3287 6.8892 6.8892 7.2523 7.2523 7.3164 7.3164 8.5694 8.5694 9.4435 9.4435 10.6059 10.6059 k = 0.5232 0.1014-1.4612 ( 3850 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8473 -8.8473 -8.7887 -8.7887 1.2340 1.2340 1.3279 1.3279 2.5004 2.5004 2.7736 2.7736 3.1649 3.1649 3.3286 3.3286 6.8890 6.8890 7.2521 7.2521 7.3168 7.3168 8.5690 8.5690 9.4437 9.4437 10.6058 10.6059 k = 0.5464 0.1059-1.4530 ( 3847 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8473 -8.8473 -8.7888 -8.7888 1.2336 1.2336 1.3287 1.3287 2.5002 2.5002 2.7740 2.7740 3.1652 3.1652 3.3283 3.3283 6.8886 6.8886 7.2516 7.2516 7.3181 7.3181 8.5679 8.5679 9.4444 9.4444 10.6057 10.6057 k = 0.5696 0.1104-1.4448 ( 3847 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8474 -8.8474 -8.7889 -8.7889 1.2328 1.2328 1.3299 1.3299 2.4999 2.4999 2.7745 2.7745 3.1658 3.1658 3.3278 3.3278 6.8878 6.8878 7.2508 7.2508 7.3203 7.3203 8.5660 8.5660 9.4455 9.4455 10.6055 10.6055 k = 0.5928 0.1149-1.4366 ( 3845 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8475 -8.8475 -8.7891 -8.7891 1.2319 1.2319 1.3315 1.3315 2.4994 2.4994 2.7752 2.7752 3.1666 3.1666 3.3272 3.3272 6.8868 6.8868 7.2498 7.2498 7.3231 7.3231 8.5635 8.5635 9.4471 9.4471 10.6052 10.6053 k = 0.6160 0.1194-1.4284 ( 3847 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2211 -21.2211 -20.7631 -20.7631 -20.7449 -20.7449 -20.6738 -20.6738 -20.6230 -20.6230 -8.8476 -8.8476 -8.7893 -8.7893 1.2307 1.2307 1.3334 1.3334 2.4988 2.4988 2.7761 2.7761 3.1676 3.1676 3.3264 3.3264 6.8855 6.8855 7.2486 7.2486 7.3266 7.3266 8.5604 8.5604 9.4490 9.4490 10.6049 10.6049 k = 0.6392 0.1239-1.4202 ( 3847 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2211 -21.2211 -20.7630 -20.7630 -20.7449 -20.7449 -20.6738 -20.6738 -20.6230 -20.6230 -8.8477 -8.8477 -8.7895 -8.7895 1.2295 1.2295 1.3357 1.3357 2.4980 2.4980 2.7772 2.7772 3.1687 3.1687 3.3255 3.3255 6.8841 6.8841 7.2473 7.2473 7.3305 7.3305 8.5567 8.5567 9.4513 9.4513 10.6044 10.6044 k = 0.6624 0.1284-1.4120 ( 3843 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2210 -21.2210 -20.7630 -20.7630 -20.7448 -20.7448 -20.6738 -20.6738 -20.6229 -20.6229 -8.8479 -8.8479 -8.7898 -8.7898 1.2283 1.2283 1.3382 1.3382 2.4970 2.4970 2.7784 2.7784 3.1701 3.1701 3.3244 3.3244 6.8825 6.8825 7.2460 7.2460 7.3349 7.3349 8.5526 8.5526 9.4538 9.4538 10.6039 10.6039 k = 0.6624 0.1284-1.4120 ( 3843 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2210 -21.2210 -20.7630 -20.7630 -20.7448 -20.7448 -20.6738 -20.6738 -20.6229 -20.6229 -8.8479 -8.8479 -8.7898 -8.7898 1.2283 1.2283 1.3382 1.3382 2.4970 2.4970 2.7784 2.7784 3.1701 3.1701 3.3244 3.3244 6.8825 6.8825 7.2460 7.2460 7.3349 7.3349 8.5526 8.5526 9.4538 9.4538 10.6039 10.6039 k = 0.6593 0.1278-1.3832 ( 3843 PWs) bands (ev): -42.2293 -42.2293 -42.2180 -42.2180 -21.2370 -21.2370 -21.2204 -21.2204 -20.7629 -20.7629 -20.7444 -20.7444 -20.6739 -20.6739 -20.6227 -20.6227 -8.8501 -8.8501 -8.7911 -8.7911 1.2330 1.2330 1.3453 1.3453 2.4956 2.4956 2.7772 2.7772 3.1721 3.1721 3.3254 3.3254 6.8561 6.8561 7.2704 7.2704 7.3350 7.3350 8.5531 8.5531 9.4531 9.4531 10.5966 10.5966 k = 0.6561 0.1272-1.3544 ( 3850 PWs) bands (ev): -42.2296 -42.2296 -42.2180 -42.2180 -21.2370 -21.2370 -21.2195 -21.2195 -20.7628 -20.7628 -20.7437 -20.7437 -20.6741 -20.6741 -20.6224 -20.6224 -8.8536 -8.8536 -8.7931 -8.7931 1.2411 1.2411 1.3556 1.3556 2.4920 2.4920 2.7761 2.7761 3.1751 3.1751 3.3272 3.3272 6.8238 6.8238 7.2971 7.2971 7.3377 7.3377 8.5549 8.5549 9.4516 9.4516 10.5856 10.5856 k = 0.6529 0.1265-1.3256 ( 3851 PWs) bands (ev): -42.2298 -42.2298 -42.2180 -42.2180 -21.2370 -21.2370 -21.2184 -21.2184 -20.7626 -20.7626 -20.7429 -20.7429 -20.6742 -20.6742 -20.6220 -20.6220 -8.8583 -8.8583 -8.7958 -8.7958 1.2526 1.2526 1.3691 1.3691 2.4863 2.4863 2.7753 2.7753 3.1790 3.1790 3.3298 3.3298 6.7872 6.7872 7.3214 7.3214 7.3459 7.3459 8.5582 8.5582 9.4493 9.4493 10.5710 10.5711 k = 0.6497 0.1259-1.2968 ( 3857 PWs) bands (ev): -42.2302 -42.2302 -42.2180 -42.2180 -21.2370 -21.2370 -21.2170 -21.2170 -20.7624 -20.7624 -20.7418 -20.7418 -20.6744 -20.6744 -20.6214 -20.6214 -8.8642 -8.8642 -8.7993 -8.7993 1.2675 1.2675 1.3857 1.3857 2.4788 2.4788 2.7743 2.7743 3.1837 3.1837 3.3331 3.3331 6.7478 6.7478 7.3349 7.3349 7.3672 7.3672 8.5628 8.5628 9.4462 9.4462 10.5534 10.5534 k = 0.6465 0.1253-1.2680 ( 3861 PWs) bands (ev): -42.2306 -42.2306 -42.2180 -42.2180 -21.2369 -21.2369 -21.2153 -21.2153 -20.7620 -20.7620 -20.7406 -20.7406 -20.6747 -20.6747 -20.6208 -20.6208 -8.8711 -8.8711 -8.8035 -8.8035 1.2858 1.2858 1.4053 1.4053 2.4697 2.4697 2.7733 2.7733 3.1894 3.1894 3.3372 3.3372 6.7062 6.7062 7.3423 7.3423 7.3960 7.3960 8.5688 8.5688 9.4422 9.4422 10.5330 10.5330 k = 0.6433 0.1247-1.2392 ( 3855 PWs) bands (ev): -42.2310 -42.2310 -42.2179 -42.2179 -21.2367 -21.2367 -21.2135 -21.2135 -20.7616 -20.7616 -20.7391 -20.7391 -20.6748 -20.6748 -20.6201 -20.6201 -8.8791 -8.8791 -8.8084 -8.8084 1.3074 1.3074 1.4278 1.4278 2.4590 2.4590 2.7719 2.7719 3.1959 3.1959 3.3421 3.3421 6.6634 6.6634 7.3492 7.3492 7.4265 7.4265 8.5762 8.5762 9.4373 9.4373 10.5101 10.5102 k = 0.6401 0.1241-1.2104 ( 3857 PWs) bands (ev): -42.2316 -42.2316 -42.2179 -42.2179 -21.2365 -21.2365 -21.2115 -21.2115 -20.7611 -20.7611 -20.7375 -20.7375 -20.6750 -20.6750 -20.6194 -20.6194 -8.8880 -8.8880 -8.8141 -8.8141 1.3322 1.3322 1.4532 1.4532 2.4471 2.4471 2.7700 2.7700 3.2032 3.2032 3.3477 3.3477 6.6197 6.6197 7.3564 7.3564 7.4574 7.4574 8.5848 8.5848 9.4314 9.4314 10.4850 10.4850 k = 0.6370 0.1235-1.1816 ( 3861 PWs) bands (ev): -42.2321 -42.2321 -42.2180 -42.2180 -21.2362 -21.2362 -21.2093 -21.2093 -20.7606 -20.7606 -20.7357 -20.7357 -20.6752 -20.6752 -20.6185 -20.6185 -8.8979 -8.8979 -8.8205 -8.8205 1.3602 1.3602 1.4812 1.4812 2.4341 2.4341 2.7676 2.7676 3.2114 3.2114 3.3540 3.3540 6.5756 6.5756 7.3640 7.3640 7.4883 7.4883 8.5946 8.5946 9.4246 9.4246 10.4579 10.4579 k = 0.6338 0.1228-1.1527 ( 3865 PWs) bands (ev): -42.2327 -42.2327 -42.2180 -42.2180 -21.2358 -21.2358 -21.2069 -21.2069 -20.7600 -20.7600 -20.7338 -20.7338 -20.6753 -20.6753 -20.6177 -20.6177 -8.9086 -8.9086 -8.8276 -8.8276 1.3912 1.3912 1.5118 1.5118 2.4203 2.4203 2.7644 2.7644 3.2204 3.2204 3.3610 3.3610 6.5315 6.5315 7.3722 7.3722 7.5190 7.5190 8.6055 8.6055 9.4168 9.4168 10.4291 10.4291 k = 0.6306 0.1222-1.1239 ( 3867 PWs) bands (ev): -42.2334 -42.2334 -42.2180 -42.2180 -21.2353 -21.2353 -21.2044 -21.2044 -20.7593 -20.7593 -20.7318 -20.7318 -20.6753 -20.6753 -20.6168 -20.6168 -8.9201 -8.9201 -8.8355 -8.8355 1.4251 1.4251 1.5447 1.5447 2.4060 2.4060 2.7604 2.7604 3.2301 3.2301 3.3687 3.3687 6.4877 6.4877 7.3807 7.3807 7.5499 7.5499 8.6176 8.6176 9.4079 9.4079 10.3987 10.3987 k = 0.6274 0.1216-1.0951 ( 3863 PWs) bands (ev): -42.2341 -42.2341 -42.2181 -42.2181 -21.2347 -21.2347 -21.2018 -21.2018 -20.7585 -20.7585 -20.7296 -20.7296 -20.6752 -20.6752 -20.6158 -20.6158 -8.9324 -8.9324 -8.8440 -8.8440 1.4618 1.4618 1.5798 1.5798 2.3913 2.3913 2.7555 2.7555 3.2406 3.2406 3.3770 3.3770 6.4445 6.4445 7.3895 7.3895 7.5808 7.5808 8.6307 8.6307 9.3980 9.3980 10.3661 10.3669 k = 0.6242 0.1210-1.0663 ( 3860 PWs) bands (ev): -42.2348 -42.2348 -42.2181 -42.2181 -21.2341 -21.2341 -21.1991 -21.1991 -20.7576 -20.7576 -20.7273 -20.7273 -20.6750 -20.6750 -20.6148 -20.6148 -8.9453 -8.9453 -8.8532 -8.8532 1.5012 1.5012 1.6168 1.6168 2.3768 2.3768 2.7496 2.7496 3.2518 3.2518 3.3859 3.3859 6.4021 6.4021 7.3985 7.3985 7.6119 7.6119 8.6449 8.6449 9.3871 9.3871 10.3272 10.3344 k = 0.6210 0.1204-1.0375 ( 3868 PWs) bands (ev): -42.2355 -42.2355 -42.2182 -42.2182 -21.2334 -21.2334 -21.1962 -21.1962 -20.7568 -20.7568 -20.7249 -20.7249 -20.6747 -20.6747 -20.6139 -20.6139 -8.9589 -8.9589 -8.8630 -8.8630 1.5429 1.5429 1.6553 1.6553 2.3628 2.3628 2.7428 2.7428 3.2637 3.2637 3.3955 3.3955 6.3608 6.3608 7.4076 7.4076 7.6432 7.6432 8.6601 8.6601 9.3750 9.3750 10.2437 10.2514 k = 0.6178 0.1197-1.0087 ( 3864 PWs) bands (ev): -42.2363 -42.2363 -42.2183 -42.2183 -21.2326 -21.2326 -21.1933 -21.1933 -20.7558 -20.7558 -20.7225 -20.7225 -20.6742 -20.6742 -20.6129 -20.6129 -8.9730 -8.9730 -8.8733 -8.8733 1.5868 1.5868 1.6950 1.6950 2.3497 2.3497 2.7350 2.7350 3.2763 3.2763 3.4056 3.4056 6.3208 6.3208 7.4166 7.4166 7.6749 7.6749 8.6762 8.6762 9.3619 9.3619 10.1777 10.1839 k = 0.6147 0.1191-0.9799 ( 3870 PWs) bands (ev): -42.2371 -42.2371 -42.2184 -42.2184 -21.2318 -21.2318 -21.1903 -21.1903 -20.7548 -20.7548 -20.7200 -20.7200 -20.6736 -20.6736 -20.6119 -20.6119 -8.9876 -8.9876 -8.8843 -8.8843 1.6324 1.6324 1.7353 1.7353 2.3383 2.3383 2.7262 2.7262 3.2895 3.2895 3.4162 3.4162 6.2821 6.2821 7.4255 7.4255 7.7070 7.7070 8.6933 8.6933 9.3478 9.3478 10.1191 10.1206 k = 0.6115 0.1185-0.9511 ( 3871 PWs) bands (ev): -42.2379 -42.2379 -42.2186 -42.2186 -21.2310 -21.2310 -21.1872 -21.1872 -20.7538 -20.7538 -20.7174 -20.7174 -20.6727 -20.6727 -20.6109 -20.6109 -9.0027 -9.0027 -8.8957 -8.8957 1.6791 1.6791 1.7758 1.7758 2.3294 2.3294 2.7166 2.7166 3.3033 3.3033 3.4273 3.4273 6.2450 6.2450 7.4343 7.4343 7.7398 7.7398 8.7112 8.7112 9.3326 9.3326 10.0630 10.0631 k = 0.6083 0.1179-0.9222 ( 3870 PWs) bands (ev): -42.2388 -42.2388 -42.2187 -42.2187 -21.2301 -21.2301 -21.1841 -21.1841 -20.7528 -20.7528 -20.7148 -20.7148 -20.6717 -20.6717 -20.6100 -20.6100 -9.0181 -9.0181 -8.9076 -8.9076 1.7260 1.7260 1.8160 1.8160 2.3242 2.3242 2.7063 2.7063 3.3176 3.3176 3.4389 3.4389 6.2097 6.2097 7.4427 7.4427 7.7730 7.7730 8.7300 8.7300 9.3165 9.3165 10.0087 10.0087 k = 0.6051 0.1173-0.8934 ( 3871 PWs) bands (ev): -42.2396 -42.2396 -42.2189 -42.2189 -21.2292 -21.2292 -21.1809 -21.1809 -20.7518 -20.7518 -20.7122 -20.7122 -20.6705 -20.6705 -20.6090 -20.6090 -9.0338 -9.0338 -8.9199 -8.9199 1.7713 1.7713 1.8560 1.8560 2.3240 2.3240 2.6954 2.6954 3.3324 3.3324 3.4509 3.4509 6.1760 6.1760 7.4508 7.4508 7.8070 7.8070 8.7497 8.7497 9.2994 9.2994 9.9558 9.9558 k = 0.6019 0.1167-0.8646 ( 3868 PWs) bands (ev): -42.2405 -42.2405 -42.2191 -42.2191 -21.2282 -21.2282 -21.1777 -21.1777 -20.7507 -20.7507 -20.7095 -20.7095 -20.6690 -20.6690 -20.6081 -20.6081 -9.0498 -9.0498 -8.9325 -8.9325 1.8119 1.8119 1.8968 1.8968 2.3303 2.3303 2.6843 2.6843 3.3476 3.3476 3.4633 3.4633 6.1443 6.1443 7.4586 7.4586 7.8417 7.8417 8.7701 8.7701 9.2816 9.2816 9.9044 9.9044 k = 0.5987 0.1160-0.8358 ( 3868 PWs) bands (ev): -42.2413 -42.2413 -42.2193 -42.2193 -21.2272 -21.2272 -21.1744 -21.1744 -20.7497 -20.7497 -20.7068 -20.7068 -20.6673 -20.6673 -20.6072 -20.6072 -9.0660 -9.0660 -8.9454 -8.9454 1.8442 1.8442 1.9404 1.9404 2.3445 2.3445 2.6733 2.6733 3.3633 3.3633 3.4760 3.4760 6.1144 6.1144 7.4658 7.4658 7.8771 7.8771 8.7913 8.7913 9.2630 9.2630 9.8548 9.8548 k = 0.5956 0.1154-0.8070 ( 3868 PWs) bands (ev): -42.2422 -42.2422 -42.2195 -42.2195 -21.2263 -21.2263 -21.1712 -21.1712 -20.7486 -20.7486 -20.7041 -20.7041 -20.6653 -20.6653 -20.6063 -20.6063 -9.0824 -9.0824 -8.9586 -8.9586 1.8658 1.8658 1.9874 1.9874 2.3673 2.3673 2.6630 2.6630 3.3793 3.3793 3.4890 3.4890 6.0864 6.0864 7.4725 7.4725 7.9132 7.9132 8.8131 8.8131 9.2439 9.2439 9.8069 9.8069 k = 0.5924 0.1148-0.7782 ( 3864 PWs) bands (ev): -42.2431 -42.2431 -42.2198 -42.2198 -21.2253 -21.2253 -21.1680 -21.1680 -20.7476 -20.7476 -20.7014 -20.7014 -20.6632 -20.6632 -20.6055 -20.6055 -9.0988 -9.0988 -8.9720 -8.9720 1.8772 1.8772 2.0367 2.0367 2.3988 2.3988 2.6541 2.6541 3.3956 3.3956 3.5023 3.5023 6.0603 6.0603 7.4786 7.4786 7.9501 7.9501 8.8357 8.8357 9.2242 9.2242 9.7609 9.7609 k = 0.5892 0.1142-0.7494 ( 3868 PWs) bands (ev): -42.2440 -42.2440 -42.2200 -42.2200 -21.2243 -21.2243 -21.1648 -21.1648 -20.7467 -20.7467 -20.6987 -20.6987 -20.6608 -20.6608 -20.6047 -20.6047 -9.1152 -9.1152 -8.9855 -8.9855 1.8800 1.8800 2.0861 2.0861 2.4379 2.4379 2.6480 2.6480 3.4121 3.4121 3.5157 3.5157 6.0360 6.0360 7.4840 7.4840 7.9876 7.9876 8.8587 8.8587 9.2042 9.2042 9.7169 9.7169 k = 0.5860 0.1136-0.7206 ( 3874 PWs) bands (ev): -42.2449 -42.2449 -42.2203 -42.2203 -21.2234 -21.2234 -21.1616 -21.1616 -20.7458 -20.7458 -20.6960 -20.6960 -20.6583 -20.6583 -20.6040 -20.6040 -9.1317 -9.1317 -8.9991 -8.9991 1.8762 1.8762 2.1332 2.1332 2.4832 2.4832 2.6461 2.6461 3.4288 3.4288 3.5293 3.5293 6.0135 6.0135 7.4886 7.4886 8.0259 8.0259 8.8823 8.8823 9.1840 9.1840 9.6748 9.6748 k = 0.5828 0.1130-0.6918 ( 3874 PWs) bands (ev): -42.2457 -42.2457 -42.2205 -42.2205 -21.2224 -21.2224 -21.1584 -21.1584 -20.7449 -20.7449 -20.6932 -20.6932 -20.6556 -20.6556 -20.6033 -20.6033 -9.1480 -9.1480 -9.0128 -9.0128 1.8675 1.8675 2.1758 2.1758 2.5330 2.5330 2.6507 2.6507 3.4457 3.4457 3.5430 3.5430 5.9928 5.9928 7.4926 7.4926 8.0647 8.0647 8.9063 8.9063 9.1637 9.1637 9.6349 9.6349 k = 0.5796 0.1123-0.6629 ( 3875 PWs) bands (ev): -42.2466 -42.2466 -42.2208 -42.2208 -21.2215 -21.2215 -21.1553 -21.1553 -20.7441 -20.7441 -20.6905 -20.6905 -20.6527 -20.6527 -20.6027 -20.6027 -9.1641 -9.1641 -9.0264 -9.0264 1.8552 1.8552 2.2112 2.2112 2.5852 2.5852 2.6652 2.6652 3.4626 3.4626 3.5568 3.5568 5.9736 5.9736 7.4958 7.4958 8.1041 8.1041 8.9305 8.9305 9.1436 9.1436 9.5972 9.5972 k = 0.5764 0.1117-0.6341 ( 3865 PWs) bands (ev): -42.2474 -42.2474 -42.2211 -42.2211 -21.2205 -21.2205 -21.1522 -21.1522 -20.7433 -20.7433 -20.6876 -20.6876 -20.6498 -20.6498 -20.6021 -20.6021 -9.1801 -9.1801 -9.0400 -9.0400 1.8404 1.8404 2.2375 2.2375 2.6364 2.6364 2.6934 2.6934 3.4796 3.4796 3.5706 3.5706 5.9561 5.9561 7.4981 7.4981 8.1440 8.1440 8.9549 8.9549 9.1237 9.1237 9.5617 9.5617 k = 0.5733 0.1111-0.6053 ( 3867 PWs) bands (ev): -42.2483 -42.2483 -42.2213 -42.2213 -21.2197 -21.2197 -21.1492 -21.1492 -20.7426 -20.7426 -20.6848 -20.6848 -20.6467 -20.6467 -20.6016 -20.6016 -9.1959 -9.1959 -9.0535 -9.0535 1.8237 1.8237 2.2536 2.2536 2.6846 2.6846 2.7376 2.7376 3.4965 3.4965 3.5843 3.5843 5.9399 5.9399 7.4995 7.4995 8.1844 8.1844 8.9793 8.9793 9.1041 9.1041 9.5284 9.5284 k = 0.5701 0.1105-0.5765 ( 3866 PWs) bands (ev): -42.2491 -42.2491 -42.2216 -42.2216 -21.2189 -21.2189 -21.1463 -21.1463 -20.7419 -20.7419 -20.6819 -20.6819 -20.6435 -20.6435 -20.6011 -20.6011 -9.2113 -9.2113 -9.0667 -9.0667 1.8058 1.8058 2.2602 2.2602 2.7329 2.7329 2.7930 2.7930 3.5133 3.5133 3.5980 3.5980 5.9250 5.9250 7.4999 7.4999 8.2251 8.2251 9.0034 9.0034 9.0852 9.0852 9.4975 9.4975 k = 0.5669 0.1099-0.5477 ( 3872 PWs) bands (ev): -42.2499 -42.2499 -42.2219 -42.2219 -21.2181 -21.2181 -21.1434 -21.1434 -20.7413 -20.7413 -20.6791 -20.6791 -20.6404 -20.6404 -20.6007 -20.6007 -9.2264 -9.2264 -9.0798 -9.0798 1.7872 1.7872 2.2590 2.2590 2.7851 2.7851 2.8537 2.8537 3.5299 3.5299 3.6115 3.6115 5.9112 5.9112 7.4993 7.4993 8.2660 8.2660 9.0267 9.0267 9.0672 9.0672 9.4689 9.4689 k = 0.5637 0.1093-0.5189 ( 3872 PWs) bands (ev): -42.2507 -42.2507 -42.2222 -42.2222 -21.2173 -21.2173 -21.1406 -21.1406 -20.7407 -20.7407 -20.6762 -20.6762 -20.6372 -20.6372 -20.6003 -20.6003 -9.2411 -9.2411 -9.0926 -9.0926 1.7682 1.7682 2.2520 2.2520 2.8416 2.8416 2.9166 2.9166 3.5463 3.5463 3.6248 3.6248 5.8984 5.8984 7.4979 7.4979 8.3071 8.3071 9.0434 9.0434 9.0559 9.0559 9.4428 9.4428 k = 0.5605 0.1086-0.4901 ( 3874 PWs) bands (ev): -42.2515 -42.2515 -42.2224 -42.2224 -21.2166 -21.2166 -21.1380 -21.1380 -20.7401 -20.7401 -20.6733 -20.6733 -20.6339 -20.6339 -20.6001 -20.6001 -9.2554 -9.2554 -9.1051 -9.1051 1.7490 1.7490 2.2408 2.2408 2.9013 2.9013 2.9805 2.9805 3.5625 3.5625 3.6378 3.6378 5.8866 5.8866 7.4954 7.4954 8.3483 8.3483 9.0307 9.0307 9.0740 9.0740 9.4191 9.4191 k = 0.5573 0.1080-0.4613 ( 3870 PWs) bands (ev): -42.2522 -42.2522 -42.2227 -42.2227 -21.2160 -21.2160 -21.1354 -21.1354 -20.7396 -20.7396 -20.6703 -20.6703 -20.6307 -20.6307 -20.5998 -20.5998 -9.2692 -9.2692 -9.1172 -9.1172 1.7299 1.7299 2.2268 2.2268 2.9631 2.9631 3.0445 3.0445 3.5783 3.5783 3.6506 3.6506 5.8755 5.8755 7.4920 7.4920 8.3894 8.3894 9.0151 9.0151 9.0944 9.0944 9.3980 9.3980 k = 0.5541 0.1074-0.4324 ( 3874 PWs) bands (ev): -42.2529 -42.2529 -42.2230 -42.2230 -21.2153 -21.2153 -21.1329 -21.1329 -20.7391 -20.7391 -20.6674 -20.6674 -20.6276 -20.6276 -20.5997 -20.5997 -9.2825 -9.2825 -9.1290 -9.1290 1.7111 1.7111 2.2110 2.2110 3.0261 3.0261 3.1081 3.1081 3.5937 3.5937 3.6631 3.6631 5.8650 5.8650 7.4877 7.4877 8.4304 8.4304 9.0002 9.0002 9.1133 9.1133 9.3796 9.3796 k = 0.5510 0.1068-0.4036 ( 3872 PWs) bands (ev): -42.2536 -42.2536 -42.2232 -42.2232 -21.2147 -21.2147 -21.1305 -21.1305 -20.7387 -20.7387 -20.6645 -20.6645 -20.6245 -20.6245 -20.5996 -20.5996 -9.2952 -9.2952 -9.1403 -9.1403 1.6928 1.6928 2.1942 2.1942 3.0894 3.0894 3.1709 3.1709 3.6087 3.6087 3.6752 3.6752 5.8551 5.8551 7.4825 7.4825 8.4711 8.4711 8.9863 8.9863 9.1299 9.1299 9.3642 9.3642 k = 0.5478 0.1062-0.3748 ( 3886 PWs) bands (ev): -42.2542 -42.2542 -42.2235 -42.2235 -21.2142 -21.2142 -21.1283 -21.1283 -20.7383 -20.7383 -20.6617 -20.6617 -20.6216 -20.6216 -20.5996 -20.5996 -9.3074 -9.3074 -9.1511 -9.1511 1.6749 1.6749 2.1768 2.1768 3.1523 3.1523 3.2322 3.2322 3.6232 3.6232 3.6868 3.6868 5.8455 5.8455 7.4765 7.4765 8.5113 8.5113 8.9735 8.9735 9.1435 9.1435 9.3520 9.3520 k = 0.5446 0.1055-0.3460 ( 3886 PWs) bands (ev): -42.2549 -42.2549 -42.2237 -42.2237 -21.2137 -21.2137 -21.1262 -21.1262 -20.7379 -20.7379 -20.6589 -20.6589 -20.6188 -20.6188 -20.5996 -20.5996 -9.3189 -9.3189 -9.1614 -9.1614 1.6578 1.6578 2.1593 2.1593 3.2142 3.2142 3.2920 3.2920 3.6371 3.6371 3.6981 3.6981 5.8364 5.8364 7.4698 7.4698 8.5509 8.5509 8.9618 8.9618 9.1534 9.1534 9.3434 9.3435 k = 0.5414 0.1049-0.3172 ( 3886 PWs) bands (ev): -42.2555 -42.2555 -42.2240 -42.2240 -21.2133 -21.2133 -21.1242 -21.1242 -20.7376 -20.7376 -20.6561 -20.6561 -20.6160 -20.6160 -20.5997 -20.5997 -9.3298 -9.3298 -9.1711 -9.1711 1.6414 1.6414 2.1421 2.1421 3.2746 3.2746 3.3496 3.3496 3.6506 3.6506 3.7089 3.7089 5.8275 5.8275 7.4625 7.4625 8.5897 8.5897 8.9512 8.9512 9.1593 9.1593 9.3386 9.3386 k = 0.5382 0.1043-0.2884 ( 3883 PWs) bands (ev): -42.2560 -42.2560 -42.2242 -42.2242 -21.2129 -21.2129 -21.1223 -21.1223 -20.7373 -20.7373 -20.6535 -20.6535 -20.6134 -20.6134 -20.5998 -20.5998 -9.3399 -9.3399 -9.1803 -9.1803 1.6260 1.6260 2.1254 2.1254 3.3329 3.3329 3.4047 3.4047 3.6634 3.6634 3.7193 3.7193 5.8189 5.8189 7.4548 7.4548 8.6275 8.6275 8.9417 8.9417 9.1609 9.1609 9.3375 9.3375 k = 0.5350 0.1037-0.2596 ( 3881 PWs) bands (ev): -42.2565 -42.2565 -42.2244 -42.2244 -21.2125 -21.2125 -21.1206 -21.1206 -20.7370 -20.7370 -20.6509 -20.6509 -20.6111 -20.6111 -20.6000 -20.6000 -9.3494 -9.3494 -9.1888 -9.1888 1.6115 1.6115 2.1094 2.1094 3.3886 3.3886 3.4568 3.4568 3.6757 3.6757 3.7292 3.7292 5.8105 5.8105 7.4468 7.4468 8.6641 8.6641 8.9333 8.9333 9.1589 9.1589 9.3394 9.3394 k = 0.5319 0.1031-0.2308 ( 3875 PWs) bands (ev): -42.2570 -42.2570 -42.2246 -42.2246 -21.2121 -21.2121 -21.1190 -21.1190 -20.7367 -20.7367 -20.6483 -20.6483 -20.6089 -20.6089 -20.6001 -20.6001 -9.3581 -9.3581 -9.1967 -9.1967 1.5980 1.5980 2.0942 2.0942 3.4411 3.4411 3.5055 3.5055 3.6875 3.6875 3.7387 3.7387 5.8024 5.8024 7.4386 7.4386 8.6991 8.6991 8.9261 8.9261 9.1541 9.1541 9.3434 9.3435 k = 0.5287 0.1025-0.2020 ( 3875 PWs) bands (ev): -42.2574 -42.2574 -42.2248 -42.2248 -21.2118 -21.2118 -21.1176 -21.1176 -20.7364 -20.7364 -20.6460 -20.6460 -20.6071 -20.6071 -20.6002 -20.6002 -9.3661 -9.3661 -9.2040 -9.2040 1.5856 1.5856 2.0802 2.0802 3.4899 3.4899 3.5505 3.5505 3.6987 3.6987 3.7478 3.7478 5.7946 5.7946 7.4305 7.4305 8.7324 8.7324 8.9198 8.9198 9.1473 9.1473 9.3489 9.3489 k = 0.5255 0.1018-0.1731 ( 3874 PWs) bands (ev): -42.2578 -42.2578 -42.2249 -42.2249 -21.2115 -21.2115 -21.1163 -21.1163 -20.7362 -20.7362 -20.6437 -20.6437 -20.6056 -20.6056 -20.6002 -20.6002 -9.3733 -9.3733 -9.2105 -9.2105 1.5744 1.5744 2.0673 2.0673 3.5345 3.5345 3.5911 3.5911 3.7096 3.7096 3.7567 3.7567 5.7872 5.7872 7.4226 7.4226 8.7636 8.7636 8.9145 8.9145 9.1393 9.1393 9.3550 9.3550 k = 0.5223 0.1012-0.1443 ( 3877 PWs) bands (ev): -42.2582 -42.2582 -42.2251 -42.2251 -21.2113 -21.2113 -21.1151 -21.1151 -20.7360 -20.7360 -20.6417 -20.6417 -20.6047 -20.6047 -20.5998 -20.5998 -9.3797 -9.3797 -9.2163 -9.2163 1.5644 1.5644 2.0556 2.0556 3.5742 3.5742 3.6269 3.6269 3.7201 3.7201 3.7656 3.7656 5.7802 5.7802 7.4151 7.4151 8.7923 8.7923 8.9101 8.9101 9.1310 9.1310 9.3612 9.3612 k = 0.5191 0.1006-0.1155 ( 3868 PWs) bands (ev): -42.2585 -42.2585 -42.2252 -42.2252 -21.2111 -21.2111 -21.1141 -21.1141 -20.7358 -20.7358 -20.6397 -20.6397 -20.6042 -20.6042 -20.5991 -20.5991 -9.3853 -9.3853 -9.2214 -9.2214 1.5556 1.5556 2.0454 2.0454 3.6084 3.6084 3.6574 3.6574 3.7306 3.7306 3.7745 3.7745 5.7738 5.7738 7.4082 7.4082 8.8183 8.8183 8.9066 8.9066 9.1228 9.1228 9.3672 9.3672 k = 0.5159 0.1000-0.0867 ( 3864 PWs) bands (ev): -42.2587 -42.2587 -42.2253 -42.2253 -21.2109 -21.2109 -21.1133 -21.1133 -20.7357 -20.7357 -20.6381 -20.6381 -20.6042 -20.6042 -20.5983 -20.5983 -9.3900 -9.3900 -9.2257 -9.2257 1.5481 1.5481 2.0366 2.0366 3.6365 3.6365 3.6823 3.6823 3.7410 3.7410 3.7836 3.7836 5.7681 5.7681 7.4020 7.4020 8.8410 8.8410 8.9039 8.9039 9.1151 9.1151 9.3726 9.3727 k = 0.5127 0.0994-0.0579 ( 3866 PWs) bands (ev): -42.2589 -42.2589 -42.2254 -42.2254 -21.2108 -21.2108 -21.1126 -21.1126 -20.7356 -20.7356 -20.6367 -20.6367 -20.6044 -20.6044 -20.5974 -20.5974 -9.3939 -9.3939 -9.2293 -9.2293 1.5419 1.5419 2.0293 2.0293 3.6582 3.6582 3.7016 3.7016 3.7511 3.7511 3.7928 3.7928 5.7632 5.7632 7.3967 7.3967 8.8601 8.8601 8.9019 8.9019 9.1083 9.1083 9.3774 9.3776 k = 0.5096 0.0988-0.0291 ( 3874 PWs) bands (ev): -42.2591 -42.2591 -42.2255 -42.2255 -21.2108 -21.2108 -21.1120 -21.1120 -20.7355 -20.7355 -20.6356 -20.6356 -20.6046 -20.6046 -20.5967 -20.5967 -9.3969 -9.3969 -9.2321 -9.2321 1.5371 1.5371 2.0236 2.0236 3.6738 3.6738 3.7155 3.7155 3.7604 3.7604 3.8013 3.8013 5.7593 5.7593 7.3924 7.3924 8.8749 8.8749 8.9009 8.9009 9.1026 9.1026 9.3811 9.3849 k = 0.5064 0.0981-0.0003 ( 3866 PWs) bands (ev): -42.2592 -42.2592 -42.2255 -42.2255 -21.2107 -21.2107 -21.1116 -21.1116 -20.7354 -20.7354 -20.6347 -20.6347 -20.6048 -20.6048 -20.5962 -20.5962 -9.3991 -9.3991 -9.2340 -9.2340 1.5336 1.5336 2.0195 2.0195 3.6840 3.6840 3.7248 3.7248 3.7681 3.7681 3.8085 3.8085 5.7563 5.7563 7.3892 7.3892 8.8850 8.8850 8.9012 8.9012 9.0984 9.0984 9.3836 9.3851 k = 0.5032 0.0975 0.0285 ( 3864 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1114 -21.1114 -20.7354 -20.7354 -20.6342 -20.6342 -20.6049 -20.6049 -20.5959 -20.5959 -9.4004 -9.4004 -9.2352 -9.2352 1.5316 1.5316 2.0170 2.0170 3.6897 3.6897 3.7300 3.7300 3.7732 3.7732 3.8131 3.8131 5.7546 5.7546 7.3873 7.3873 8.8898 8.8898 8.9027 8.9027 9.0958 9.0958 9.3845 9.3860 k = 0.5000 0.0969 0.0574 ( 3860 PWs) bands (ev): -42.2593 -42.2593 -42.2256 -42.2256 -21.2106 -21.2106 -21.1113 -21.1113 -20.7353 -20.7353 -20.6340 -20.6340 -20.6049 -20.6049 -20.5957 -20.5957 -9.4009 -9.4009 -9.2356 -9.2356 1.5309 1.5309 2.0162 2.0162 3.6916 3.6916 3.7317 3.7317 3.7750 3.7750 3.8148 3.8148 5.7540 5.7540 7.3867 7.3867 8.8910 8.8910 8.9036 8.9036 9.0949 9.0949 9.3846 9.3862 k = 0.5000-1.2414-0.7347 ( 3862 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8453 -8.8453 -8.7907 -8.7907 1.2109 1.2109 1.3479 1.3479 2.4824 2.4824 2.7996 2.7996 3.1823 3.1823 3.3095 3.3095 6.9646 6.9646 7.1412 7.1412 7.3777 7.3777 8.5076 8.5076 9.4849 9.4849 10.6112 10.6112 k = 0.5271-1.2334-0.7299 ( 3856 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8453 -8.8453 -8.7907 -8.7907 1.2111 1.2111 1.3478 1.3478 2.4825 2.4825 2.7994 2.7994 3.1822 3.1822 3.3097 3.3097 6.9633 6.9633 7.1426 7.1426 7.3773 7.3773 8.5081 8.5081 9.4846 9.4846 10.6111 10.6112 k = 0.5541-1.2253-0.7251 ( 3858 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2213 -21.2213 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8454 -8.8454 -8.7906 -8.7906 1.2115 1.2115 1.3476 1.3476 2.4830 2.4830 2.7988 2.7988 3.1818 3.1818 3.3101 3.3101 6.9595 6.9595 7.1469 7.1469 7.3763 7.3763 8.5094 8.5094 9.4836 9.4836 10.6110 10.6110 k = 0.5812-1.2172-0.7204 ( 3846 PWs) bands (ev): -42.2291 -42.2291 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8455 -8.8455 -8.7906 -8.7906 1.2122 1.2122 1.3472 1.3472 2.4838 2.4838 2.7977 2.7977 3.1811 3.1811 3.3109 3.3109 6.9537 6.9537 7.1535 7.1535 7.3746 7.3746 8.5115 8.5115 9.4821 9.4821 10.6106 10.6107 k = 0.6083-1.2091-0.7156 ( 3842 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8456 -8.8456 -8.7905 -8.7905 1.2132 1.2132 1.3466 1.3466 2.4849 2.4849 2.7963 2.7963 3.1803 3.1803 3.3119 3.3119 6.9464 6.9464 7.1619 7.1619 7.3722 7.3722 8.5145 8.5145 9.4800 9.4800 10.6102 10.6102 k = 0.6354-1.2011-0.7108 ( 3847 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8458 -8.8458 -8.7904 -8.7904 1.2144 1.2144 1.3459 1.3459 2.4862 2.4862 2.7945 2.7945 3.1792 3.1792 3.3132 3.3132 6.9381 6.9381 7.1715 7.1715 7.3691 7.3691 8.5180 8.5180 9.4775 9.4775 10.6097 10.6097 k = 0.6624-1.1930-0.7060 ( 3843 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7450 -20.7450 -20.6738 -20.6738 -20.6230 -20.6230 -8.8460 -8.8460 -8.7903 -8.7903 1.2158 1.2158 1.3450 1.3450 2.4877 2.4877 2.7925 2.7925 3.1780 3.1780 3.3146 3.3146 6.9293 6.9293 7.1821 7.1821 7.3655 7.3655 8.5222 8.5222 9.4745 9.4745 10.6091 10.6091 k = 0.6895-1.1849-0.7012 ( 3843 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2212 -21.2212 -20.7631 -20.7631 -20.7449 -20.7449 -20.6738 -20.6738 -20.6230 -20.6230 -8.8463 -8.8463 -8.7903 -8.7903 1.2175 1.2175 1.3440 1.3440 2.4893 2.4893 2.7902 2.7902 3.1767 3.1767 3.3162 3.3162 6.9203 6.9203 7.1931 7.1931 7.3613 7.3613 8.5269 8.5269 9.4713 9.4713 10.6084 10.6084 k = 0.7166-1.1768-0.6965 ( 3839 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2211 -21.2211 -20.7630 -20.7630 -20.7449 -20.7449 -20.6738 -20.6738 -20.6230 -20.6230 -8.8466 -8.8466 -8.7901 -8.7901 1.2194 1.2194 1.3430 1.3430 2.4910 2.4910 2.7878 2.7878 3.1753 3.1753 3.3179 3.3179 6.9115 6.9115 7.2043 7.2043 7.3566 7.3566 8.5319 8.5319 9.4678 9.4678 10.6076 10.6076 k = 0.7437-1.1688-0.6917 ( 3833 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2369 -21.2369 -21.2211 -21.2211 -20.7630 -20.7630 -20.7449 -20.7449 -20.6738 -20.6738 -20.6229 -20.6229 -8.8469 -8.8469 -8.7900 -8.7900 1.2214 1.2214 1.3418 1.3418 2.4927 2.4927 2.7853 2.7853 3.1739 3.1739 3.3196 3.3196 6.9032 6.9032 7.2154 7.2154 7.3516 7.3516 8.5371 8.5371 9.4642 9.4642 10.6067 10.6067 k = 0.7707-1.1607-0.6869 ( 3831 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2210 -21.2210 -20.7630 -20.7630 -20.7448 -20.7448 -20.6738 -20.6738 -20.6229 -20.6229 -8.8472 -8.8472 -8.7899 -8.7899 1.2236 1.2236 1.3406 1.3406 2.4944 2.4944 2.7829 2.7829 3.1726 3.1726 3.3213 3.3213 6.8955 6.8955 7.2262 7.2262 7.3462 7.3462 8.5424 8.5424 9.4606 9.4606 10.6058 10.6058 k = 0.7978-1.1526-0.6821 ( 3841 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2210 -21.2210 -20.7630 -20.7630 -20.7448 -20.7448 -20.6738 -20.6738 -20.6229 -20.6229 -8.8475 -8.8475 -8.7899 -8.7899 1.2259 1.2259 1.3394 1.3394 2.4958 2.4958 2.7805 2.7805 3.1713 3.1713 3.3229 3.3229 6.8885 6.8885 7.2365 7.2365 7.3405 7.3405 8.5476 8.5476 9.4571 9.4571 10.6048 10.6049 k = 0.8249-1.1445-0.6773 ( 3843 PWs) bands (ev): -42.2292 -42.2292 -42.2180 -42.2180 -21.2370 -21.2370 -21.2210 -21.2210 -20.7630 -20.7630 -20.7448 -20.7448 -20.6738 -20.6738 -20.6229 -20.6229 -8.8479 -8.8479 -8.7898 -8.7898 1.2283 1.2283 1.3382 1.3382 2.4970 2.4970 2.7784 2.7784 3.1701 3.1701 3.3244 3.3244 6.8825 6.8825 7.2460 7.2460 7.3349 7.3349 8.5526 8.5526 9.4538 9.4538 10.6039 10.6039 Writing output data file ScCl.save init_run : 0.63s CPU 0.82s WALL ( 1 calls) electrons : 697.55s CPU 703.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 697.54s CPU 703.47s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.03s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 333 calls) cegterg : 660.13s CPU 664.77s WALL ( 1238 calls) Called by sum_band: Called by *egterg: h_psi : 541.16s CPU 544.86s WALL ( 23441 calls) s_psi : 8.46s CPU 8.52s WALL ( 23441 calls) g_psi : 0.36s CPU 0.33s WALL ( 21870 calls) cdiaghg : 114.19s CPU 115.09s WALL ( 22203 calls) cegterg:over : 9.93s CPU 9.99s WALL ( 21870 calls) cegterg:upda : 12.08s CPU 12.44s WALL ( 21870 calls) cegterg:last : 2.97s CPU 2.96s WALL ( 2238 calls) cdiaghg:chol : 6.90s CPU 6.81s WALL ( 22203 calls) cdiaghg:inve : 3.86s CPU 3.92s WALL ( 22203 calls) cdiaghg:para : 5.99s CPU 6.25s WALL ( 44406 calls) Called by h_psi: h_psi:vloc : 519.14s CPU 522.54s WALL ( 23441 calls) h_psi:vnl : 21.74s CPU 21.98s WALL ( 23441 calls) add_vuspsi : 11.01s CPU 11.09s WALL ( 23441 calls) General routines calbec : 10.67s CPU 10.83s WALL ( 23441 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 454.67s CPU 457.60s WALL ( 1183672 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.24s WALL ( 666 calls) Parallel routines fft_scatter : 88.91s CPU 90.03s WALL ( 1183695 calls) PWSCF : 11m52.03s CPU 12m24.36s WALL This run was terminated on: 17:38:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=