Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53:54 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: ./CdCO3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 22 6 2891 449 73 Max 76 23 7 2895 472 78 Sum 2723 805 235 104147 16577 2713 bravais-lattice index = 14 lattice parameter (alat) = 7.4097 a.u. unit-cell volume = 381.9145 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.409686 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.214884 celldm(5)= 0.214884 celldm(6)= 0.214884 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.214884 0.976640 0.000000 ) a(3) = ( 0.214884 0.172744 0.961241 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.220024 -0.184008 ) b(2) = ( 0.000000 1.023919 -0.184008 ) b(3) = ( 0.000000 0.000000 1.040322 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cd 12.00 112.41100 Cd( 1.00) C 4.00 12.01070 C( 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= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0119048 -0.0026193 -0.0021906), wk = 0.0030303 k( 3) = ( 0.0238095 -0.0052387 -0.0043811), wk = 0.0030303 k( 4) = ( 0.0357143 -0.0078580 -0.0065717), wk = 0.0030303 k( 5) = ( 0.0476191 -0.0104773 -0.0087623), wk = 0.0030303 k( 6) = ( 0.0595238 -0.0130966 -0.0109529), wk = 0.0030303 k( 7) = ( 0.0714286 -0.0157160 -0.0131434), wk = 0.0030303 k( 8) = ( 0.0833333 -0.0183353 -0.0153340), wk = 0.0030303 k( 9) = ( 0.0952381 -0.0209546 -0.0175246), wk = 0.0030303 k( 10) = ( 0.1071429 -0.0235740 -0.0197151), wk = 0.0030303 k( 11) = ( 0.1190476 -0.0261933 -0.0219057), wk = 0.0030303 k( 12) = ( 0.1309524 -0.0288126 -0.0240963), wk = 0.0030303 k( 13) = ( 0.1428571 -0.0314319 -0.0262868), wk = 0.0030303 k( 14) = ( 0.1547619 -0.0340513 -0.0284774), wk = 0.0030303 k( 15) = ( 0.1666667 -0.0366706 -0.0306680), wk = 0.0030303 k( 16) = ( 0.1785714 -0.0392899 -0.0328586), wk = 0.0030303 k( 17) = ( 0.1904762 -0.0419093 -0.0350491), wk = 0.0030303 k( 18) = ( 0.2023810 -0.0445286 -0.0372397), wk = 0.0030303 k( 19) = ( 0.2142857 -0.0471479 -0.0394303), wk = 0.0030303 k( 20) = ( 0.2261905 -0.0497672 -0.0416208), wk = 0.0030303 k( 21) = ( 0.2380952 -0.0523866 -0.0438114), wk = 0.0030303 k( 22) = ( 0.2500000 -0.0550059 -0.0460020), wk = 0.0030303 k( 23) = ( 0.2619048 -0.0576252 -0.0481925), wk = 0.0030303 k( 24) = ( 0.2738095 -0.0602445 -0.0503831), wk = 0.0030303 k( 25) = ( 0.2857143 -0.0628639 -0.0525737), wk = 0.0030303 k( 26) = ( 0.2976190 -0.0654832 -0.0547643), wk = 0.0030303 k( 27) = ( 0.3095238 -0.0681025 -0.0569548), wk = 0.0030303 k( 28) = ( 0.3214286 -0.0707219 -0.0591454), wk = 0.0030303 k( 29) = ( 0.3333333 -0.0733412 -0.0613360), wk = 0.0030303 k( 30) = ( 0.3452381 -0.0759605 -0.0635265), wk = 0.0030303 k( 31) = ( 0.3571429 -0.0785798 -0.0657171), wk = 0.0030303 k( 32) = ( 0.3690476 -0.0811992 -0.0679077), wk = 0.0030303 k( 33) = ( 0.3809524 -0.0838185 -0.0700983), wk = 0.0030303 k( 34) = ( 0.3928571 -0.0864378 -0.0722888), wk = 0.0030303 k( 35) = ( 0.4047619 -0.0890572 -0.0744794), wk = 0.0030303 k( 36) = ( 0.4166667 -0.0916765 -0.0766700), wk = 0.0030303 k( 37) = ( 0.4285714 -0.0942958 -0.0788605), wk = 0.0030303 k( 38) = ( 0.4404762 -0.0969151 -0.0810511), wk = 0.0030303 k( 39) = ( 0.4523810 -0.0995345 -0.0832417), wk = 0.0030303 k( 40) = ( 0.4642857 -0.1021538 -0.0854322), wk = 0.0030303 k( 41) = ( 0.4761905 -0.1047731 -0.0876228), wk = 0.0030303 k( 42) = ( 0.4880952 -0.1073925 -0.0898134), wk = 0.0030303 k( 43) = ( 0.5000000 -0.1100118 -0.0920040), wk = 0.0030303 k( 44) = ( 0.5000000 -0.1100118 -0.0920040), wk = 0.0030303 k( 45) = ( 0.5000000 -0.1020546 -0.1015186), wk = 0.0030303 k( 46) = ( 0.5000000 -0.0940975 -0.1110331), wk = 0.0030303 k( 47) = ( 0.5000000 -0.0861403 -0.1205477), wk = 0.0030303 k( 48) = ( 0.5000000 -0.0781832 -0.1300624), wk = 0.0030303 k( 49) = ( 0.5000000 -0.0702260 -0.1395769), wk = 0.0030303 k( 50) = ( 0.5000000 -0.0622689 -0.1490915), wk = 0.0030303 k( 51) = ( 0.5000000 -0.0543117 -0.1586061), wk = 0.0030303 k( 52) = ( 0.5000000 -0.0463546 -0.1681207), wk = 0.0030303 k( 53) = ( 0.5000000 -0.0383974 -0.1776353), wk = 0.0030303 k( 54) = ( 0.5000000 -0.0304403 -0.1871499), wk = 0.0030303 k( 55) = ( 0.5000000 -0.0224831 -0.1966645), wk = 0.0030303 k( 56) = ( 0.5000000 -0.0145259 -0.2061791), wk = 0.0030303 k( 57) = ( 0.5000000 -0.0065688 -0.2156937), wk = 0.0030303 k( 58) = ( 0.5000000 0.0013884 -0.2252083), wk = 0.0030303 k( 59) = ( 0.5000000 0.0093455 -0.2347229), wk = 0.0030303 k( 60) = ( 0.5000000 0.0173027 -0.2442375), wk = 0.0030303 k( 61) = ( 0.5000000 0.0252598 -0.2537521), wk = 0.0030303 k( 62) = ( 0.5000000 0.0332170 -0.2632667), wk = 0.0030303 k( 63) = ( 0.5000000 0.0411741 -0.2727813), wk = 0.0030303 k( 64) = ( 0.5000000 0.0491313 -0.2822959), wk = 0.0030303 k( 65) = ( 0.5000000 0.0570884 -0.2918105), wk = 0.0030303 k( 66) = ( 0.5000000 0.0650456 -0.3013251), wk = 0.0030303 k( 67) = ( 0.5000000 0.0730027 -0.3108397), wk = 0.0030303 k( 68) = ( 0.5000000 0.0809599 -0.3203543), wk = 0.0030303 k( 69) = ( 0.5000000 0.0889170 -0.3298689), wk = 0.0030303 k( 70) = ( 0.5000000 0.0968742 -0.3393835), wk = 0.0030303 k( 71) = ( 0.5000000 0.1048314 -0.3488981), wk = 0.0030303 k( 72) = ( 0.5000000 0.1127885 -0.3584127), wk = 0.0030303 k( 73) = ( 0.5000000 0.1207457 -0.3679273), wk = 0.0030303 k( 74) = ( 0.5000000 0.1287028 -0.3774419), wk = 0.0030303 k( 75) = ( 0.5000000 0.1366600 -0.3869565), wk = 0.0030303 k( 76) = ( 0.5000000 0.1446171 -0.3964711), wk = 0.0030303 k( 77) = ( 0.5000000 0.1525743 -0.4059857), wk = 0.0030303 k( 78) = ( 0.5000000 0.1605314 -0.4155003), wk = 0.0030303 k( 79) = ( 0.5000000 0.1684886 -0.4250149), wk = 0.0030303 k( 80) = ( 0.5000000 0.1764457 -0.4345295), wk = 0.0030303 k( 81) = ( 0.5000000 0.1844029 -0.4440441), wk = 0.0030303 k( 82) = ( 0.5000000 0.1923600 -0.4535587), wk = 0.0030303 k( 83) = ( 0.5000000 0.2003172 -0.4630733), wk = 0.0030303 k( 84) = ( 0.5000000 0.2082744 -0.4725879), wk = 0.0030303 k( 85) = ( 0.5000000 0.2162315 -0.4821025), wk = 0.0030303 k( 86) = ( 0.5000000 0.2241887 -0.4916171), wk = 0.0030303 k( 87) = ( 0.5000000 0.2321458 -0.5011317), wk = 0.0030303 k( 88) = ( 0.5000000 0.2401030 -0.5106463), wk = 0.0030303 k( 89) = ( 0.5000000 0.2480601 -0.5201609), wk = 0.0030303 k( 90) = ( 0.6502928 0.3688798 0.1521450), wk = 0.0030303 k( 91) = ( 0.6427782 0.3705332 0.1613454), wk = 0.0030303 k( 92) = ( 0.6352635 0.3721866 0.1705458), wk = 0.0030303 k( 93) = ( 0.6277489 0.3738400 0.1797462), wk = 0.0030303 k( 94) = ( 0.6202342 0.3754934 0.1889466), wk = 0.0030303 k( 95) = ( 0.6127196 0.3771468 0.1981470), wk = 0.0030303 k( 96) = ( 0.6052049 0.3788002 0.2073474), wk = 0.0030303 k( 97) = ( 0.5976903 0.3804536 0.2165478), wk = 0.0030303 k( 98) = ( 0.5901757 0.3821070 0.2257482), wk = 0.0030303 k( 99) = ( 0.5826610 0.3837604 0.2349486), wk = 0.0030303 k( 100) = ( 0.5751464 0.3854138 0.2441490), wk = 0.0030303 k( 101) = ( 0.5676317 0.3870672 0.2533494), wk = 0.0030303 k( 102) = ( 0.5601171 0.3887206 0.2625498), wk = 0.0030303 k( 103) = ( 0.5526025 0.3903740 0.2717502), wk = 0.0030303 k( 104) = ( 0.5450878 0.3920274 0.2809506), wk = 0.0030303 k( 105) = ( 0.5375732 0.3936808 0.2901510), wk = 0.0030303 k( 106) = ( 0.5300586 0.3953342 0.2993514), wk = 0.0030303 k( 107) = ( 0.5225439 0.3969876 0.3085518), wk = 0.0030303 k( 108) = ( 0.5150293 0.3986410 0.3177522), wk = 0.0030303 k( 109) = ( 0.5075146 0.4002944 0.3269526), wk = 0.0030303 k( 110) = ( 0.5000000 0.4019478 0.3361529), wk = 0.0030303 k( 111) = ( 0.5000000 0.4019478 0.3361529), wk = 0.0030303 k( 112) = ( 0.4915254 0.3951351 0.3304554), wk = 0.0030303 k( 113) = ( 0.4830508 0.3883224 0.3247579), wk = 0.0030303 k( 114) = ( 0.4745763 0.3815098 0.3190604), wk = 0.0030303 k( 115) = ( 0.4661017 0.3746971 0.3133629), wk = 0.0030303 k( 116) = ( 0.4576271 0.3678844 0.3076654), wk = 0.0030303 k( 117) = ( 0.4491525 0.3610717 0.3019679), wk = 0.0030303 k( 118) = ( 0.4406780 0.3542591 0.2962704), wk = 0.0030303 k( 119) = ( 0.4322034 0.3474464 0.2905729), wk = 0.0030303 k( 120) = ( 0.4237288 0.3406337 0.2848754), wk = 0.0030303 k( 121) = ( 0.4152542 0.3338210 0.2791779), wk = 0.0030303 k( 122) = ( 0.4067797 0.3270084 0.2734804), wk = 0.0030303 k( 123) = ( 0.3983051 0.3201957 0.2677829), wk = 0.0030303 k( 124) = ( 0.3898305 0.3133830 0.2620853), wk = 0.0030303 k( 125) = ( 0.3813559 0.3065703 0.2563878), wk = 0.0030303 k( 126) = ( 0.3728814 0.2997577 0.2506903), wk = 0.0030303 k( 127) = ( 0.3644068 0.2929450 0.2449928), wk = 0.0030303 k( 128) = ( 0.3559322 0.2861323 0.2392953), wk = 0.0030303 k( 129) = ( 0.3474576 0.2793196 0.2335978), wk = 0.0030303 k( 130) = ( 0.3389831 0.2725070 0.2279003), wk = 0.0030303 k( 131) = ( 0.3305085 0.2656943 0.2222028), wk = 0.0030303 k( 132) = ( 0.3220339 0.2588816 0.2165053), wk = 0.0030303 k( 133) = ( 0.3135593 0.2520689 0.2108078), wk = 0.0030303 k( 134) = ( 0.3050848 0.2452563 0.2051103), wk = 0.0030303 k( 135) = ( 0.2966102 0.2384436 0.1994128), wk = 0.0030303 k( 136) = ( 0.2881356 0.2316309 0.1937153), wk = 0.0030303 k( 137) = ( 0.2796610 0.2248183 0.1880178), wk = 0.0030303 k( 138) = ( 0.2711864 0.2180056 0.1823202), wk = 0.0030303 k( 139) = ( 0.2627119 0.2111929 0.1766227), wk = 0.0030303 k( 140) = ( 0.2542373 0.2043802 0.1709252), wk = 0.0030303 k( 141) = ( 0.2457627 0.1975675 0.1652277), wk = 0.0030303 k( 142) = ( 0.2372881 0.1907549 0.1595302), wk = 0.0030303 k( 143) = ( 0.2288136 0.1839422 0.1538327), wk = 0.0030303 k( 144) = ( 0.2203390 0.1771295 0.1481352), wk = 0.0030303 k( 145) = ( 0.2118644 0.1703169 0.1424377), wk = 0.0030303 k( 146) = ( 0.2033898 0.1635042 0.1367402), wk = 0.0030303 k( 147) = ( 0.1949153 0.1566915 0.1310427), wk = 0.0030303 k( 148) = ( 0.1864407 0.1498788 0.1253452), wk = 0.0030303 k( 149) = ( 0.1779661 0.1430662 0.1196477), wk = 0.0030303 k( 150) = ( 0.1694915 0.1362535 0.1139502), wk = 0.0030303 k( 151) = ( 0.1610169 0.1294408 0.1082526), wk = 0.0030303 k( 152) = ( 0.1525424 0.1226281 0.1025551), wk = 0.0030303 k( 153) = ( 0.1440678 0.1158155 0.0968576), wk = 0.0030303 k( 154) = ( 0.1355932 0.1090028 0.0911601), wk = 0.0030303 k( 155) = ( 0.1271186 0.1021901 0.0854626), wk = 0.0030303 k( 156) = ( 0.1186441 0.0953774 0.0797651), wk = 0.0030303 k( 157) = ( 0.1101695 0.0885648 0.0740676), wk = 0.0030303 k( 158) = ( 0.1016949 0.0817521 0.0683701), wk = 0.0030303 k( 159) = ( 0.0932203 0.0749394 0.0626726), wk = 0.0030303 k( 160) = ( 0.0847458 0.0681267 0.0569751), wk = 0.0030303 k( 161) = ( 0.0762712 0.0613141 0.0512776), wk = 0.0030303 k( 162) = ( 0.0677966 0.0545014 0.0455801), wk = 0.0030303 k( 163) = ( 0.0593220 0.0476887 0.0398826), wk = 0.0030303 k( 164) = ( 0.0508475 0.0408760 0.0341850), wk = 0.0030303 k( 165) = ( 0.0423729 0.0340634 0.0284875), wk = 0.0030303 k( 166) = ( 0.0338983 0.0272507 0.0227900), wk = 0.0030303 k( 167) = ( 0.0254237 0.0204380 0.0170925), wk = 0.0030303 k( 168) = ( 0.0169491 0.0136253 0.0113950), wk = 0.0030303 k( 169) = ( 0.0084746 0.0068127 0.0056975), wk = 0.0030303 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 172) = ( 0.0077246 -0.0016996 -0.0094575), wk = 0.0030303 k( 173) = ( 0.0154492 -0.0033992 -0.0189149), wk = 0.0030303 k( 174) = ( 0.0231738 -0.0050988 -0.0283724), wk = 0.0030303 k( 175) = ( 0.0308984 -0.0067984 -0.0378299), wk = 0.0030303 k( 176) = ( 0.0386231 -0.0084980 -0.0472874), wk = 0.0030303 k( 177) = ( 0.0463477 -0.0101976 -0.0567448), wk = 0.0030303 k( 178) = ( 0.0540723 -0.0118972 -0.0662023), wk = 0.0030303 k( 179) = ( 0.0617969 -0.0135968 -0.0756598), wk = 0.0030303 k( 180) = ( 0.0695215 -0.0152964 -0.0851172), wk = 0.0030303 k( 181) = ( 0.0772461 -0.0169960 -0.0945747), wk = 0.0030303 k( 182) = ( 0.0849707 -0.0186956 -0.1040322), wk = 0.0030303 k( 183) = ( 0.0926953 -0.0203952 -0.1134896), wk = 0.0030303 k( 184) = ( 0.1004199 -0.0220948 -0.1229471), wk = 0.0030303 k( 185) = ( 0.1081446 -0.0237943 -0.1324046), wk = 0.0030303 k( 186) = ( 0.1158692 -0.0254939 -0.1418621), wk = 0.0030303 k( 187) = ( 0.1235938 -0.0271935 -0.1513195), wk = 0.0030303 k( 188) = ( 0.1313184 -0.0288931 -0.1607770), wk = 0.0030303 k( 189) = ( 0.1390430 -0.0305927 -0.1702345), wk = 0.0030303 k( 190) = ( 0.1467676 -0.0322923 -0.1796919), wk = 0.0030303 k( 191) = ( 0.1544922 -0.0339919 -0.1891494), wk = 0.0030303 k( 192) = ( 0.1622168 -0.0356915 -0.1986069), wk = 0.0030303 k( 193) = ( 0.1699414 -0.0373911 -0.2080643), wk = 0.0030303 k( 194) = ( 0.1776660 -0.0390907 -0.2175218), wk = 0.0030303 k( 195) = ( 0.1853907 -0.0407903 -0.2269793), wk = 0.0030303 k( 196) = ( 0.1931153 -0.0424899 -0.2364368), wk = 0.0030303 k( 197) = ( 0.2008399 -0.0441895 -0.2458942), wk = 0.0030303 k( 198) = ( 0.2085645 -0.0458891 -0.2553517), wk = 0.0030303 k( 199) = ( 0.2162891 -0.0475887 -0.2648092), wk = 0.0030303 k( 200) = ( 0.2240137 -0.0492883 -0.2742666), wk = 0.0030303 k( 201) = ( 0.2317383 -0.0509879 -0.2837241), wk = 0.0030303 k( 202) = ( 0.2394629 -0.0526875 -0.2931816), wk = 0.0030303 k( 203) = ( 0.2471876 -0.0543871 -0.3026390), wk = 0.0030303 k( 204) = ( 0.2549122 -0.0560867 -0.3120965), wk = 0.0030303 k( 205) = ( 0.2626368 -0.0577863 -0.3215540), wk = 0.0030303 k( 206) = ( 0.2703614 -0.0594859 -0.3310115), wk = 0.0030303 k( 207) = ( 0.2780860 -0.0611855 -0.3404689), wk = 0.0030303 k( 208) = ( 0.2858106 -0.0628851 -0.3499264), wk = 0.0030303 k( 209) = ( 0.2935352 -0.0645847 -0.3593839), wk = 0.0030303 k( 210) = ( 0.3012598 -0.0662843 -0.3688413), wk = 0.0030303 k( 211) = ( 0.3089844 -0.0679839 -0.3782988), wk = 0.0030303 k( 212) = ( 0.3167090 -0.0696835 -0.3877563), wk = 0.0030303 k( 213) = ( 0.3244337 -0.0713831 -0.3972137), wk = 0.0030303 k( 214) = ( 0.3321583 -0.0730826 -0.4066712), wk = 0.0030303 k( 215) = ( 0.3398829 -0.0747822 -0.4161287), wk = 0.0030303 k( 216) = ( 0.3476075 -0.0764818 -0.4255862), wk = 0.0030303 k( 217) = ( 0.3553321 -0.0781814 -0.4350436), wk = 0.0030303 k( 218) = ( 0.3630567 -0.0798810 -0.4445011), wk = 0.0030303 k( 219) = ( 0.3707813 -0.0815806 -0.4539586), wk = 0.0030303 k( 220) = ( 0.3785059 -0.0832802 -0.4634160), wk = 0.0030303 k( 221) = ( 0.3862306 -0.0849798 -0.4728735), wk = 0.0030303 k( 222) = ( 0.3939552 -0.0866794 -0.4823310), wk = 0.0030303 k( 223) = ( 0.4016798 -0.0883790 -0.4917884), wk = 0.0030303 k( 224) = ( 0.4094044 -0.0900786 -0.5012459), wk = 0.0030303 k( 225) = ( 0.4171290 -0.0917782 -0.5107034), wk = 0.0030303 k( 226) = ( 0.4248536 -0.0934778 -0.5201609), wk = 0.0030303 k( 227) = ( 0.5751464 0.3084700 -0.1840079), wk = 0.0030303 k( 228) = ( 0.5676317 0.3178178 -0.1840079), wk = 0.0030303 k( 229) = ( 0.5601171 0.3271655 -0.1840079), wk = 0.0030303 k( 230) = ( 0.5526025 0.3365133 -0.1840079), wk = 0.0030303 k( 231) = ( 0.5450878 0.3458611 -0.1840079), wk = 0.0030303 k( 232) = ( 0.5375732 0.3552089 -0.1840079), wk = 0.0030303 k( 233) = ( 0.5300586 0.3645567 -0.1840079), wk = 0.0030303 k( 234) = ( 0.5225439 0.3739044 -0.1840079), wk = 0.0030303 k( 235) = ( 0.5150293 0.3832522 -0.1840079), wk = 0.0030303 k( 236) = ( 0.5075146 0.3926000 -0.1840079), wk = 0.0030303 k( 237) = ( 0.5000000 0.4019478 -0.1840079), wk = 0.0030303 k( 238) = ( 0.5000000 0.4019478 -0.1840079), wk = 0.0030303 k( 239) = ( 0.5025913 0.4040309 -0.1724164), wk = 0.0030303 k( 240) = ( 0.5051825 0.4061140 -0.1608250), wk = 0.0030303 k( 241) = ( 0.5077738 0.4081971 -0.1492335), wk = 0.0030303 k( 242) = ( 0.5103650 0.4102802 -0.1376420), wk = 0.0030303 k( 243) = ( 0.5129563 0.4123633 -0.1260505), wk = 0.0030303 k( 244) = ( 0.5155475 0.4144464 -0.1144590), wk = 0.0030303 k( 245) = ( 0.5181388 0.4165295 -0.1028675), wk = 0.0030303 k( 246) = ( 0.5207300 0.4186126 -0.0912761), wk = 0.0030303 k( 247) = ( 0.5233213 0.4206957 -0.0796846), wk = 0.0030303 k( 248) = ( 0.5259126 0.4227788 -0.0680931), wk = 0.0030303 k( 249) = ( 0.5285038 0.4248619 -0.0565016), wk = 0.0030303 k( 250) = ( 0.5310951 0.4269450 -0.0449101), wk = 0.0030303 k( 251) = ( 0.5336863 0.4290281 -0.0333187), wk = 0.0030303 k( 252) = ( 0.5362776 0.4311112 -0.0217272), wk = 0.0030303 k( 253) = ( 0.5388688 0.4331942 -0.0101357), wk = 0.0030303 k( 254) = ( 0.5414601 0.4352774 0.0014558), wk = 0.0030303 k( 255) = ( 0.5440513 0.4373604 0.0130473), wk = 0.0030303 k( 256) = ( 0.5466426 0.4394435 0.0246387), wk = 0.0030303 k( 257) = ( 0.5492338 0.4415266 0.0362302), wk = 0.0030303 k( 258) = ( 0.5518251 0.4436097 0.0478217), wk = 0.0030303 k( 259) = ( 0.5544164 0.4456928 0.0594132), wk = 0.0030303 k( 260) = ( 0.5570076 0.4477759 0.0710047), wk = 0.0030303 k( 261) = ( 0.5595989 0.4498590 0.0825962), wk = 0.0030303 k( 262) = ( 0.5621901 0.4519421 0.0941876), wk = 0.0030303 k( 263) = ( 0.5647814 0.4540252 0.1057791), wk = 0.0030303 k( 264) = ( 0.5673726 0.4561083 0.1173706), wk = 0.0030303 k( 265) = ( 0.5699639 0.4581914 0.1289621), wk = 0.0030303 k( 266) = ( 0.5725551 0.4602745 0.1405535), wk = 0.0030303 k( 267) = ( 0.5751464 0.4623576 0.1521450), wk = 0.0030303 k( 268) = ( 0.5751464 0.4623576 0.1521450), wk = 0.0030303 k( 269) = ( 0.5707260 0.4588041 0.1629690), wk = 0.0030303 k( 270) = ( 0.5663056 0.4552506 0.1737930), wk = 0.0030303 k( 271) = ( 0.5618853 0.4516971 0.1846170), wk = 0.0030303 k( 272) = ( 0.5574649 0.4481435 0.1954410), wk = 0.0030303 k( 273) = ( 0.5530445 0.4445900 0.2062650), wk = 0.0030303 k( 274) = ( 0.5486241 0.4410365 0.2170890), wk = 0.0030303 k( 275) = ( 0.5442038 0.4374830 0.2279130), wk = 0.0030303 k( 276) = ( 0.5397834 0.4339295 0.2387370), wk = 0.0030303 k( 277) = ( 0.5353630 0.4303759 0.2495610), wk = 0.0030303 k( 278) = ( 0.5309426 0.4268224 0.2603850), wk = 0.0030303 k( 279) = ( 0.5265223 0.4232689 0.2712090), wk = 0.0030303 k( 280) = ( 0.5221019 0.4197154 0.2820330), wk = 0.0030303 k( 281) = ( 0.5176815 0.4161619 0.2928570), wk = 0.0030303 k( 282) = ( 0.5132611 0.4126083 0.3036810), wk = 0.0030303 k( 283) = ( 0.5088407 0.4090548 0.3145050), wk = 0.0030303 k( 284) = ( 0.5044204 0.4055013 0.3253290), wk = 0.0030303 k( 285) = ( 0.5000000 0.4019478 0.3361529), wk = 0.0030303 k( 286) = ( 0.5000000 -0.1100118 -0.0920040), wk = 0.0030303 k( 287) = ( 0.5034158 -0.1008766 -0.0843641), wk = 0.0030303 k( 288) = ( 0.5068315 -0.0917414 -0.0767243), wk = 0.0030303 k( 289) = ( 0.5102472 -0.0826063 -0.0690844), wk = 0.0030303 k( 290) = ( 0.5136630 -0.0734711 -0.0614446), wk = 0.0030303 k( 291) = ( 0.5170787 -0.0643359 -0.0538048), wk = 0.0030303 k( 292) = ( 0.5204945 -0.0552007 -0.0461649), wk = 0.0030303 k( 293) = ( 0.5239102 -0.0460655 -0.0385251), wk = 0.0030303 k( 294) = ( 0.5273260 -0.0369304 -0.0308852), wk = 0.0030303 k( 295) = ( 0.5307417 -0.0277952 -0.0232454), wk = 0.0030303 k( 296) = ( 0.5341575 -0.0186600 -0.0156056), wk = 0.0030303 k( 297) = ( 0.5375732 -0.0095248 -0.0079657), wk = 0.0030303 k( 298) = ( 0.5409889 -0.0003897 -0.0003259), wk = 0.0030303 k( 299) = ( 0.5444047 0.0087455 0.0073140), wk = 0.0030303 k( 300) = ( 0.5478204 0.0178807 0.0149538), wk = 0.0030303 k( 301) = ( 0.5512362 0.0270159 0.0225936), wk = 0.0030303 k( 302) = ( 0.5546519 0.0361510 0.0302335), wk = 0.0030303 k( 303) = ( 0.5580677 0.0452862 0.0378733), wk = 0.0030303 k( 304) = ( 0.5614834 0.0544214 0.0455132), wk = 0.0030303 k( 305) = ( 0.5648992 0.0635566 0.0531530), wk = 0.0030303 k( 306) = ( 0.5683149 0.0726918 0.0607928), wk = 0.0030303 k( 307) = ( 0.5717307 0.0818269 0.0684327), wk = 0.0030303 k( 308) = ( 0.5751464 0.0909621 0.0760725), wk = 0.0030303 k( 309) = ( 0.5785621 0.1000973 0.0837124), wk = 0.0030303 k( 310) = ( 0.5819779 0.1092325 0.0913522), wk = 0.0030303 k( 311) = ( 0.5853936 0.1183676 0.0989920), wk = 0.0030303 k( 312) = ( 0.5888094 0.1275028 0.1066319), wk = 0.0030303 k( 313) = ( 0.5922251 0.1366380 0.1142717), wk = 0.0030303 k( 314) = ( 0.5956409 0.1457732 0.1219116), wk = 0.0030303 k( 315) = ( 0.5990566 0.1549083 0.1295514), wk = 0.0030303 k( 316) = ( 0.6024723 0.1640435 0.1371912), wk = 0.0030303 k( 317) = ( 0.6058881 0.1731787 0.1448311), wk = 0.0030303 k( 318) = ( 0.6093038 0.1823139 0.1524709), wk = 0.0030303 k( 319) = ( 0.6127196 0.1914490 0.1601107), wk = 0.0030303 k( 320) = ( 0.6161353 0.2005842 0.1677506), wk = 0.0030303 k( 321) = ( 0.6195511 0.2097194 0.1753904), wk = 0.0030303 k( 322) = ( 0.6229668 0.2188546 0.1830303), wk = 0.0030303 k( 323) = ( 0.6263826 0.2279898 0.1906701), wk = 0.0030303 k( 324) = ( 0.6297983 0.2371249 0.1983099), wk = 0.0030303 k( 325) = ( 0.6332141 0.2462601 0.2059498), wk = 0.0030303 k( 326) = ( 0.6366298 0.2553953 0.2135896), wk = 0.0030303 k( 327) = ( 0.6400455 0.2645305 0.2212295), wk = 0.0030303 k( 328) = ( 0.6434613 0.2736656 0.2288693), wk = 0.0030303 k( 329) = ( 0.6468770 0.2828008 0.2365091), wk = 0.0030303 k( 330) = ( 0.6502928 0.2919360 0.2441490), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0030303 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0030303 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0030303 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0030303 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0030303 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0030303 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0030303 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0030303 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0030303 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0030303 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0030303 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0030303 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0030303 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0030303 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0030303 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0030303 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0030303 k( 19) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0030303 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0030303 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0030303 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030303 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0030303 k( 24) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0030303 k( 25) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0030303 k( 26) = ( 0.2976190 -0.0000000 0.0000000), wk = 0.0030303 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0030303 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0030303 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0030303 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0030303 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0030303 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0030303 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0030303 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0030303 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0030303 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0030303 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0030303 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0030303 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0030303 k( 40) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0030303 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0030303 k( 42) = ( 0.4880952 -0.0000000 0.0000000), wk = 0.0030303 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030303 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030303 k( 45) = ( 0.5000000 0.0077713 -0.0077713), wk = 0.0030303 k( 46) = ( 0.5000000 0.0155425 -0.0155425), wk = 0.0030303 k( 47) = ( 0.5000000 0.0233138 -0.0233138), wk = 0.0030303 k( 48) = ( 0.5000000 0.0310851 -0.0310851), wk = 0.0030303 k( 49) = ( 0.5000000 0.0388564 -0.0388564), wk = 0.0030303 k( 50) = ( 0.5000000 0.0466276 -0.0466276), wk = 0.0030303 k( 51) = ( 0.5000000 0.0543989 -0.0543989), wk = 0.0030303 k( 52) = ( 0.5000000 0.0621702 -0.0621702), wk = 0.0030303 k( 53) = ( 0.5000000 0.0699414 -0.0699414), wk = 0.0030303 k( 54) = ( 0.5000000 0.0777127 -0.0777127), wk = 0.0030303 k( 55) = ( 0.5000000 0.0854840 -0.0854840), wk = 0.0030303 k( 56) = ( 0.5000000 0.0932553 -0.0932553), wk = 0.0030303 k( 57) = ( 0.5000000 0.1010265 -0.1010265), wk = 0.0030303 k( 58) = ( 0.5000000 0.1087978 -0.1087978), wk = 0.0030303 k( 59) = ( 0.5000000 0.1165691 -0.1165691), wk = 0.0030303 k( 60) = ( 0.5000000 0.1243403 -0.1243403), wk = 0.0030303 k( 61) = ( 0.5000000 0.1321116 -0.1321116), wk = 0.0030303 k( 62) = ( 0.5000000 0.1398829 -0.1398829), wk = 0.0030303 k( 63) = ( 0.5000000 0.1476542 -0.1476542), wk = 0.0030303 k( 64) = ( 0.5000000 0.1554254 -0.1554254), wk = 0.0030303 k( 65) = ( 0.5000000 0.1631967 -0.1631967), wk = 0.0030303 k( 66) = ( 0.5000000 0.1709680 -0.1709680), wk = 0.0030303 k( 67) = ( 0.5000000 0.1787392 -0.1787392), wk = 0.0030303 k( 68) = ( 0.5000000 0.1865105 -0.1865105), wk = 0.0030303 k( 69) = ( 0.5000000 0.1942818 -0.1942818), wk = 0.0030303 k( 70) = ( 0.5000000 0.2020531 -0.2020531), wk = 0.0030303 k( 71) = ( 0.5000000 0.2098243 -0.2098243), wk = 0.0030303 k( 72) = ( 0.5000000 0.2175956 -0.2175956), wk = 0.0030303 k( 73) = ( 0.5000000 0.2253669 -0.2253669), wk = 0.0030303 k( 74) = ( 0.5000000 0.2331381 -0.2331381), wk = 0.0030303 k( 75) = ( 0.5000000 0.2409094 -0.2409094), wk = 0.0030303 k( 76) = ( 0.5000000 0.2486807 -0.2486807), wk = 0.0030303 k( 77) = ( 0.5000000 0.2564520 -0.2564520), wk = 0.0030303 k( 78) = ( 0.5000000 0.2642232 -0.2642232), wk = 0.0030303 k( 79) = ( 0.5000000 0.2719945 -0.2719945), wk = 0.0030303 k( 80) = ( 0.5000000 0.2797658 -0.2797658), wk = 0.0030303 k( 81) = ( 0.5000000 0.2875370 -0.2875370), wk = 0.0030303 k( 82) = ( 0.5000000 0.2953083 -0.2953083), wk = 0.0030303 k( 83) = ( 0.5000000 0.3030796 -0.3030796), wk = 0.0030303 k( 84) = ( 0.5000000 0.3108509 -0.3108509), wk = 0.0030303 k( 85) = ( 0.5000000 0.3186221 -0.3186221), wk = 0.0030303 k( 86) = ( 0.5000000 0.3263934 -0.3263934), wk = 0.0030303 k( 87) = ( 0.5000000 0.3341647 -0.3341647), wk = 0.0030303 k( 88) = ( 0.5000000 0.3419359 -0.3419359), wk = 0.0030303 k( 89) = ( 0.5000000 0.3497072 -0.3497072), wk = 0.0030303 k( 90) = ( 0.6502928 0.5000000 0.3497072), wk = 0.0030303 k( 91) = ( 0.6427782 0.5000000 0.3572218), wk = 0.0030303 k( 92) = ( 0.6352635 0.5000000 0.3647365), wk = 0.0030303 k( 93) = ( 0.6277489 0.5000000 0.3722511), wk = 0.0030303 k( 94) = ( 0.6202342 0.5000000 0.3797658), wk = 0.0030303 k( 95) = ( 0.6127196 0.5000000 0.3872804), wk = 0.0030303 k( 96) = ( 0.6052049 0.5000000 0.3947950), wk = 0.0030303 k( 97) = ( 0.5976903 0.5000000 0.4023097), wk = 0.0030303 k( 98) = ( 0.5901757 0.5000000 0.4098243), wk = 0.0030303 k( 99) = ( 0.5826610 0.5000000 0.4173390), wk = 0.0030303 k( 100) = ( 0.5751464 0.5000000 0.4248536), wk = 0.0030303 k( 101) = ( 0.5676317 0.5000000 0.4323682), wk = 0.0030303 k( 102) = ( 0.5601171 0.5000000 0.4398829), wk = 0.0030303 k( 103) = ( 0.5526025 0.5000000 0.4473975), wk = 0.0030303 k( 104) = ( 0.5450878 0.5000000 0.4549122), wk = 0.0030303 k( 105) = ( 0.5375732 0.5000000 0.4624268), wk = 0.0030303 k( 106) = ( 0.5300586 0.5000000 0.4699414), wk = 0.0030303 k( 107) = ( 0.5225439 0.5000000 0.4774561), wk = 0.0030303 k( 108) = ( 0.5150293 0.5000000 0.4849707), wk = 0.0030303 k( 109) = ( 0.5075146 0.5000000 0.4924854), wk = 0.0030303 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030303 k( 111) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030303 k( 112) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0030303 k( 113) = ( 0.4830508 0.4830508 0.4830508), wk = 0.0030303 k( 114) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0030303 k( 115) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0030303 k( 116) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0030303 k( 117) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0030303 k( 118) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0030303 k( 119) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0030303 k( 120) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0030303 k( 121) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0030303 k( 122) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0030303 k( 123) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0030303 k( 124) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0030303 k( 125) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0030303 k( 126) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0030303 k( 127) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0030303 k( 128) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0030303 k( 129) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0030303 k( 130) = ( 0.3389831 0.3389831 0.3389830), wk = 0.0030303 k( 131) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0030303 k( 132) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0030303 k( 133) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0030303 k( 134) = ( 0.3050848 0.3050848 0.3050848), wk = 0.0030303 k( 135) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0030303 k( 136) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0030303 k( 137) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0030303 k( 138) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0030303 k( 139) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0030303 k( 140) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0030303 k( 141) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0030303 k( 142) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0030303 k( 143) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0030303 k( 144) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0030303 k( 145) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0030303 k( 146) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0030303 k( 147) = ( 0.1949153 0.1949153 0.1949153), wk = 0.0030303 k( 148) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0030303 k( 149) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0030303 k( 150) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0030303 k( 151) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0030303 k( 152) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0030303 k( 153) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0030303 k( 154) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0030303 k( 155) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0030303 k( 156) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0030303 k( 157) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0030303 k( 158) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0030303 k( 159) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0030303 k( 160) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0030303 k( 161) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0030303 k( 162) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0030303 k( 163) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0030303 k( 164) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0030303 k( 165) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0030303 k( 166) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0030303 k( 167) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0030303 k( 168) = ( 0.0169491 0.0169492 0.0169491), wk = 0.0030303 k( 169) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0030303 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 172) = ( 0.0077246 0.0000000 -0.0077246), wk = 0.0030303 k( 173) = ( 0.0154492 0.0000000 -0.0154492), wk = 0.0030303 k( 174) = ( 0.0231738 0.0000000 -0.0231738), wk = 0.0030303 k( 175) = ( 0.0308984 0.0000000 -0.0308984), wk = 0.0030303 k( 176) = ( 0.0386231 0.0000000 -0.0386231), wk = 0.0030303 k( 177) = ( 0.0463477 0.0000000 -0.0463477), wk = 0.0030303 k( 178) = ( 0.0540723 0.0000000 -0.0540723), wk = 0.0030303 k( 179) = ( 0.0617969 0.0000000 -0.0617969), wk = 0.0030303 k( 180) = ( 0.0695215 0.0000000 -0.0695215), wk = 0.0030303 k( 181) = ( 0.0772461 -0.0000000 -0.0772461), wk = 0.0030303 k( 182) = ( 0.0849707 0.0000000 -0.0849707), wk = 0.0030303 k( 183) = ( 0.0926953 0.0000000 -0.0926953), wk = 0.0030303 k( 184) = ( 0.1004199 0.0000000 -0.1004199), wk = 0.0030303 k( 185) = ( 0.1081446 0.0000000 -0.1081445), wk = 0.0030303 k( 186) = ( 0.1158692 -0.0000000 -0.1158692), wk = 0.0030303 k( 187) = ( 0.1235938 0.0000000 -0.1235938), wk = 0.0030303 k( 188) = ( 0.1313184 0.0000000 -0.1313184), wk = 0.0030303 k( 189) = ( 0.1390430 0.0000000 -0.1390430), wk = 0.0030303 k( 190) = ( 0.1467676 0.0000000 -0.1467676), wk = 0.0030303 k( 191) = ( 0.1544922 -0.0000000 -0.1544922), wk = 0.0030303 k( 192) = ( 0.1622168 0.0000000 -0.1622168), wk = 0.0030303 k( 193) = ( 0.1699414 0.0000000 -0.1699414), wk = 0.0030303 k( 194) = ( 0.1776660 0.0000000 -0.1776660), wk = 0.0030303 k( 195) = ( 0.1853907 0.0000000 -0.1853907), wk = 0.0030303 k( 196) = ( 0.1931153 -0.0000000 -0.1931153), wk = 0.0030303 k( 197) = ( 0.2008399 0.0000000 -0.2008399), wk = 0.0030303 k( 198) = ( 0.2085645 0.0000000 -0.2085645), wk = 0.0030303 k( 199) = ( 0.2162891 0.0000000 -0.2162891), wk = 0.0030303 k( 200) = ( 0.2240137 0.0000000 -0.2240137), wk = 0.0030303 k( 201) = ( 0.2317383 0.0000000 -0.2317383), wk = 0.0030303 k( 202) = ( 0.2394629 0.0000000 -0.2394629), wk = 0.0030303 k( 203) = ( 0.2471876 0.0000000 -0.2471875), wk = 0.0030303 k( 204) = ( 0.2549122 0.0000000 -0.2549122), wk = 0.0030303 k( 205) = ( 0.2626368 0.0000000 -0.2626368), wk = 0.0030303 k( 206) = ( 0.2703614 0.0000000 -0.2703614), wk = 0.0030303 k( 207) = ( 0.2780860 0.0000000 -0.2780860), wk = 0.0030303 k( 208) = ( 0.2858106 0.0000000 -0.2858106), wk = 0.0030303 k( 209) = ( 0.2935352 0.0000000 -0.2935352), wk = 0.0030303 k( 210) = ( 0.3012598 0.0000000 -0.3012598), wk = 0.0030303 k( 211) = ( 0.3089844 -0.0000000 -0.3089844), wk = 0.0030303 k( 212) = ( 0.3167090 0.0000000 -0.3167090), wk = 0.0030303 k( 213) = ( 0.3244337 0.0000000 -0.3244337), wk = 0.0030303 k( 214) = ( 0.3321583 0.0000000 -0.3321583), wk = 0.0030303 k( 215) = ( 0.3398829 0.0000000 -0.3398829), wk = 0.0030303 k( 216) = ( 0.3476075 -0.0000000 -0.3476075), wk = 0.0030303 k( 217) = ( 0.3553321 0.0000000 -0.3553321), wk = 0.0030303 k( 218) = ( 0.3630567 0.0000000 -0.3630567), wk = 0.0030303 k( 219) = ( 0.3707813 0.0000000 -0.3707813), wk = 0.0030303 k( 220) = ( 0.3785059 -0.0000000 -0.3785059), wk = 0.0030303 k( 221) = ( 0.3862306 0.0000000 -0.3862305), wk = 0.0030303 k( 222) = ( 0.3939552 0.0000000 -0.3939552), wk = 0.0030303 k( 223) = ( 0.4016798 0.0000000 -0.4016798), wk = 0.0030303 k( 224) = ( 0.4094044 0.0000000 -0.4094044), wk = 0.0030303 k( 225) = ( 0.4171290 0.0000000 -0.4171290), wk = 0.0030303 k( 226) = ( 0.4248536 -0.0000000 -0.4248536), wk = 0.0030303 k( 227) = ( 0.5751464 0.4248536 0.0000000), wk = 0.0030303 k( 228) = ( 0.5676317 0.4323683 0.0000000), wk = 0.0030303 k( 229) = ( 0.5601171 0.4398829 0.0000000), wk = 0.0030303 k( 230) = ( 0.5526025 0.4473975 0.0000000), wk = 0.0030303 k( 231) = ( 0.5450878 0.4549122 0.0000000), wk = 0.0030303 k( 232) = ( 0.5375732 0.4624268 0.0000000), wk = 0.0030303 k( 233) = ( 0.5300586 0.4699414 0.0000000), wk = 0.0030303 k( 234) = ( 0.5225439 0.4774561 0.0000000), wk = 0.0030303 k( 235) = ( 0.5150293 0.4849707 0.0000000), wk = 0.0030303 k( 236) = ( 0.5075146 0.4924854 0.0000000), wk = 0.0030303 k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030303 k( 238) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030303 k( 239) = ( 0.5025913 0.5025912 0.0120589), wk = 0.0030303 k( 240) = ( 0.5051825 0.5051825 0.0241177), wk = 0.0030303 k( 241) = ( 0.5077738 0.5077738 0.0361766), wk = 0.0030303 k( 242) = ( 0.5103650 0.5103650 0.0482355), wk = 0.0030303 k( 243) = ( 0.5129563 0.5129563 0.0602944), wk = 0.0030303 k( 244) = ( 0.5155475 0.5155475 0.0723532), wk = 0.0030303 k( 245) = ( 0.5181388 0.5181388 0.0844121), wk = 0.0030303 k( 246) = ( 0.5207300 0.5207300 0.0964710), wk = 0.0030303 k( 247) = ( 0.5233213 0.5233213 0.1085298), wk = 0.0030303 k( 248) = ( 0.5259126 0.5259126 0.1205887), wk = 0.0030303 k( 249) = ( 0.5285038 0.5285038 0.1326476), wk = 0.0030303 k( 250) = ( 0.5310951 0.5310951 0.1447064), wk = 0.0030303 k( 251) = ( 0.5336863 0.5336863 0.1567653), wk = 0.0030303 k( 252) = ( 0.5362776 0.5362776 0.1688242), wk = 0.0030303 k( 253) = ( 0.5388688 0.5388688 0.1808830), wk = 0.0030303 k( 254) = ( 0.5414601 0.5414601 0.1929419), wk = 0.0030303 k( 255) = ( 0.5440513 0.5440513 0.2050008), wk = 0.0030303 k( 256) = ( 0.5466426 0.5466426 0.2170596), wk = 0.0030303 k( 257) = ( 0.5492338 0.5492338 0.2291185), wk = 0.0030303 k( 258) = ( 0.5518251 0.5518251 0.2411774), wk = 0.0030303 k( 259) = ( 0.5544164 0.5544164 0.2532363), wk = 0.0030303 k( 260) = ( 0.5570076 0.5570076 0.2652951), wk = 0.0030303 k( 261) = ( 0.5595989 0.5595989 0.2773540), wk = 0.0030303 k( 262) = ( 0.5621901 0.5621901 0.2894129), wk = 0.0030303 k( 263) = ( 0.5647814 0.5647814 0.3014717), wk = 0.0030303 k( 264) = ( 0.5673726 0.5673726 0.3135306), wk = 0.0030303 k( 265) = ( 0.5699639 0.5699639 0.3255895), wk = 0.0030303 k( 266) = ( 0.5725551 0.5725551 0.3376483), wk = 0.0030303 k( 267) = ( 0.5751464 0.5751464 0.3497072), wk = 0.0030303 k( 268) = ( 0.5751464 0.5751464 0.3497072), wk = 0.0030303 k( 269) = ( 0.5707260 0.5707260 0.3585480), wk = 0.0030303 k( 270) = ( 0.5663056 0.5663056 0.3673887), wk = 0.0030303 k( 271) = ( 0.5618853 0.5618853 0.3762295), wk = 0.0030303 k( 272) = ( 0.5574649 0.5574649 0.3850702), wk = 0.0030303 k( 273) = ( 0.5530445 0.5530445 0.3939110), wk = 0.0030303 k( 274) = ( 0.5486241 0.5486241 0.4027517), wk = 0.0030303 k( 275) = ( 0.5442038 0.5442038 0.4115925), wk = 0.0030303 k( 276) = ( 0.5397834 0.5397834 0.4204332), wk = 0.0030303 k( 277) = ( 0.5353630 0.5353630 0.4292740), wk = 0.0030303 k( 278) = ( 0.5309426 0.5309426 0.4381147), wk = 0.0030303 k( 279) = ( 0.5265223 0.5265223 0.4469555), wk = 0.0030303 k( 280) = ( 0.5221019 0.5221019 0.4557962), wk = 0.0030303 k( 281) = ( 0.5176815 0.5176815 0.4646370), wk = 0.0030303 k( 282) = ( 0.5132611 0.5132611 0.4734777), wk = 0.0030303 k( 283) = ( 0.5088407 0.5088407 0.4823185), wk = 0.0030303 k( 284) = ( 0.5044204 0.5044204 0.4911592), wk = 0.0030303 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030303 k( 286) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030303 k( 287) = ( 0.5034158 0.0096558 0.0096558), wk = 0.0030303 k( 288) = ( 0.5068315 0.0193115 0.0193115), wk = 0.0030303 k( 289) = ( 0.5102472 0.0289673 0.0289673), wk = 0.0030303 k( 290) = ( 0.5136630 0.0386231 0.0386231), wk = 0.0030303 k( 291) = ( 0.5170787 0.0482788 0.0482788), wk = 0.0030303 k( 292) = ( 0.5204945 0.0579346 0.0579346), wk = 0.0030303 k( 293) = ( 0.5239102 0.0675903 0.0675903), wk = 0.0030303 k( 294) = ( 0.5273260 0.0772461 0.0772461), wk = 0.0030303 k( 295) = ( 0.5307417 0.0869019 0.0869019), wk = 0.0030303 k( 296) = ( 0.5341575 0.0965576 0.0965576), wk = 0.0030303 k( 297) = ( 0.5375732 0.1062134 0.1062134), wk = 0.0030303 k( 298) = ( 0.5409889 0.1158692 0.1158692), wk = 0.0030303 k( 299) = ( 0.5444047 0.1255249 0.1255249), wk = 0.0030303 k( 300) = ( 0.5478204 0.1351807 0.1351807), wk = 0.0030303 k( 301) = ( 0.5512362 0.1448365 0.1448365), wk = 0.0030303 k( 302) = ( 0.5546519 0.1544922 0.1544922), wk = 0.0030303 k( 303) = ( 0.5580677 0.1641480 0.1641480), wk = 0.0030303 k( 304) = ( 0.5614834 0.1738038 0.1738038), wk = 0.0030303 k( 305) = ( 0.5648992 0.1834595 0.1834595), wk = 0.0030303 k( 306) = ( 0.5683149 0.1931153 0.1931153), wk = 0.0030303 k( 307) = ( 0.5717307 0.2027710 0.2027710), wk = 0.0030303 k( 308) = ( 0.5751464 0.2124268 0.2124268), wk = 0.0030303 k( 309) = ( 0.5785621 0.2220826 0.2220826), wk = 0.0030303 k( 310) = ( 0.5819779 0.2317383 0.2317383), wk = 0.0030303 k( 311) = ( 0.5853936 0.2413941 0.2413941), wk = 0.0030303 k( 312) = ( 0.5888094 0.2510499 0.2510499), wk = 0.0030303 k( 313) = ( 0.5922251 0.2607056 0.2607056), wk = 0.0030303 k( 314) = ( 0.5956409 0.2703614 0.2703614), wk = 0.0030303 k( 315) = ( 0.5990566 0.2800171 0.2800171), wk = 0.0030303 k( 316) = ( 0.6024723 0.2896729 0.2896729), wk = 0.0030303 k( 317) = ( 0.6058881 0.2993287 0.2993287), wk = 0.0030303 k( 318) = ( 0.6093038 0.3089844 0.3089844), wk = 0.0030303 k( 319) = ( 0.6127196 0.3186402 0.3186402), wk = 0.0030303 k( 320) = ( 0.6161353 0.3282960 0.3282960), wk = 0.0030303 k( 321) = ( 0.6195511 0.3379517 0.3379517), wk = 0.0030303 k( 322) = ( 0.6229668 0.3476075 0.3476075), wk = 0.0030303 k( 323) = ( 0.6263826 0.3572633 0.3572633), wk = 0.0030303 k( 324) = ( 0.6297983 0.3669190 0.3669190), wk = 0.0030303 k( 325) = ( 0.6332141 0.3765748 0.3765748), wk = 0.0030303 k( 326) = ( 0.6366298 0.3862305 0.3862305), wk = 0.0030303 k( 327) = ( 0.6400455 0.3958863 0.3958863), wk = 0.0030303 k( 328) = ( 0.6434613 0.4055421 0.4055421), wk = 0.0030303 k( 329) = ( 0.6468770 0.4151978 0.4151978), wk = 0.0030303 k( 330) = ( 0.6502928 0.4248536 0.4248536), wk = 0.0030303 Dense grid: 104147 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 16577 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 124, 42) NL pseudopotentials 0.09 Mb ( 62, 90) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2894) G-vector shells 0.02 Mb ( 2350) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 124, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 90, 2, 42) The potential is recalculated from file : ./CdCO3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.3 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.6 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.0 secs Computing kpt #: 19 total cpu time spent up to now is 6.2 secs Computing kpt #: 20 total cpu time spent up to now is 6.3 secs Computing kpt #: 21 total cpu time spent up to now is 6.5 secs Computing kpt #: 22 total cpu time spent up to now is 6.6 secs Computing kpt #: 23 total cpu time spent up to now is 6.8 secs Computing kpt #: 24 total cpu time spent up to now is 7.0 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.3 secs Computing kpt #: 27 total cpu time spent up to now is 7.4 secs Computing kpt #: 28 total cpu time spent up to now is 7.6 secs Computing kpt #: 29 total cpu time spent up to now is 7.8 secs Computing kpt #: 30 total cpu time spent up to now is 7.9 secs Computing kpt #: 31 total cpu time spent up to now is 8.1 secs Computing kpt #: 32 total cpu time spent up to now is 8.2 secs Computing kpt #: 33 total cpu time spent up to now is 8.4 secs Computing kpt #: 34 total cpu time spent up to now is 8.5 secs Computing kpt #: 35 total cpu time spent up to now is 8.7 secs Computing kpt #: 36 total cpu time spent up to now is 8.8 secs Computing kpt #: 37 total cpu time spent up to now is 9.0 secs Computing kpt #: 38 total cpu time spent up to now is 9.1 secs Computing kpt #: 39 total cpu time spent up to now is 9.3 secs Computing kpt #: 40 total cpu time spent up to now is 9.4 secs Computing kpt #: 41 total cpu time spent up to now is 9.6 secs Computing kpt #: 42 total cpu time spent up to now is 9.7 secs Computing kpt #: 43 total cpu time spent up to now is 9.9 secs Computing kpt #: 44 total cpu time spent up to now is 10.0 secs Computing kpt #: 45 total cpu time spent up to now is 10.2 secs Computing kpt #: 46 total cpu time spent up to now is 10.3 secs Computing kpt #: 47 total cpu time spent up to now is 10.5 secs Computing kpt #: 48 total cpu time spent up to now is 10.6 secs Computing kpt #: 49 total cpu time spent up to now is 10.8 secs Computing kpt #: 50 total cpu time spent up to now is 11.0 secs Computing kpt #: 51 total cpu time spent up to now is 11.1 secs Computing kpt #: 52 total cpu time spent up to now is 11.3 secs Computing kpt #: 53 total cpu time spent up to now is 11.4 secs Computing kpt #: 54 total cpu time spent up to now is 11.6 secs Computing kpt #: 55 total cpu time spent up to now is 11.7 secs Computing kpt #: 56 total cpu time spent up to now is 11.9 secs Computing kpt #: 57 total cpu time spent up to now is 12.0 secs Computing kpt #: 58 total cpu time spent up to now is 12.2 secs Computing kpt #: 59 total cpu time spent up to now is 12.3 secs Computing kpt #: 60 total cpu time spent up to now is 12.5 secs Computing kpt #: 61 total cpu time spent up to now is 12.7 secs Computing kpt #: 62 total cpu time spent up to now is 12.8 secs Computing kpt #: 63 total cpu time spent up to now is 13.0 secs Computing kpt #: 64 total cpu time spent up to now is 13.1 secs Computing kpt #: 65 total cpu time spent up to now is 13.3 secs Computing kpt #: 66 total cpu time spent up to now is 13.4 secs Computing kpt #: 67 total cpu time spent up to now is 13.6 secs Computing kpt #: 68 total cpu time spent up to now is 13.8 secs Computing kpt #: 69 total cpu time spent up to now is 13.9 secs Computing kpt #: 70 total cpu time spent up to now is 14.1 secs Computing kpt #: 71 total cpu time spent up to now is 14.2 secs Computing kpt #: 72 total cpu time spent up to now is 14.4 secs Computing kpt #: 73 total cpu time spent up to now is 14.6 secs Computing kpt #: 74 total cpu time spent up to now is 14.7 secs Computing kpt #: 75 total cpu time spent up to now is 14.9 secs Computing kpt #: 76 total cpu time spent up to now is 15.0 secs Computing kpt #: 77 total cpu time spent up to now is 15.2 secs Computing kpt #: 78 total cpu time spent up to now is 15.3 secs Computing kpt #: 79 total cpu time spent up to now is 15.5 secs Computing kpt #: 80 total cpu time spent up to now is 15.7 secs Computing kpt #: 81 total cpu time spent up to now is 15.8 secs Computing kpt #: 82 total cpu time spent up to now is 16.0 secs Computing kpt #: 83 total cpu time spent up to now is 16.1 secs Computing kpt #: 84 total cpu time spent up to now is 16.3 secs Computing kpt #: 85 total cpu time spent up to now is 16.4 secs Computing kpt #: 86 total cpu time spent up to now is 16.6 secs Computing kpt #: 87 total cpu time spent up to now is 16.7 secs Computing kpt #: 88 total cpu time spent up to now is 16.9 secs Computing kpt #: 89 total cpu time spent up to now is 17.1 secs Computing kpt #: 90 total cpu time spent up to now is 17.2 secs Computing kpt #: 91 total cpu time spent up to now is 17.4 secs Computing kpt #: 92 total cpu time spent up to now is 17.5 secs Computing kpt #: 93 total cpu time spent up to now is 17.7 secs Computing kpt #: 94 total cpu time spent up to now is 17.8 secs Computing kpt #: 95 total cpu time spent up to now is 18.0 secs Computing kpt #: 96 total cpu time spent up to now is 18.1 secs Computing kpt #: 97 total cpu time spent up to now is 18.3 secs Computing kpt #: 98 total cpu time spent up to now is 18.4 secs Computing kpt #: 99 total cpu time spent up to now is 18.6 secs Computing kpt #: 100 total cpu time spent up to now is 18.7 secs Computing kpt #: 101 total cpu time spent up to now is 18.9 secs Computing kpt #: 102 total cpu time spent up to now is 19.0 secs Computing kpt #: 103 total cpu time spent up to now is 19.2 secs Computing kpt #: 104 total cpu time spent up to now is 19.3 secs Computing kpt #: 105 total cpu time spent up to now is 19.5 secs Computing kpt #: 106 total cpu time spent up to now is 19.6 secs Computing kpt #: 107 total cpu time spent up to now is 19.8 secs Computing kpt #: 108 total cpu time spent up to now is 19.9 secs Computing kpt #: 109 total cpu time spent up to now is 20.1 secs Computing kpt #: 110 total cpu time spent up to now is 20.2 secs Computing kpt #: 111 total cpu time spent up to now is 20.4 secs Computing kpt #: 112 total cpu time spent up to now is 20.5 secs Computing kpt #: 113 total cpu time spent up to now is 20.7 secs Computing kpt #: 114 total cpu time spent up to now is 20.8 secs Computing kpt #: 115 total cpu time spent up to now is 21.0 secs Computing kpt #: 116 total cpu time spent up to now is 21.1 secs Computing kpt #: 117 total cpu time spent up to now is 21.3 secs Computing kpt #: 118 total cpu time spent up to now is 21.4 secs Computing kpt #: 119 total cpu time spent up to now is 21.6 secs Computing kpt #: 120 total cpu time spent up to now is 21.7 secs Computing kpt #: 121 total cpu time spent up to now is 21.9 secs Computing kpt #: 122 total cpu time spent up to now is 22.0 secs Computing kpt #: 123 total cpu time spent up to now is 22.2 secs Computing kpt #: 124 total cpu time spent up to now is 22.3 secs Computing kpt #: 125 total cpu time spent up to now is 22.5 secs Computing kpt #: 126 total cpu time spent up to now is 22.6 secs Computing kpt #: 127 total cpu time spent up to now is 22.8 secs Computing kpt #: 128 total cpu time spent up to now is 22.9 secs Computing kpt #: 129 total cpu time spent up to now is 23.1 secs Computing kpt #: 130 total cpu time spent up to now is 23.2 secs Computing kpt #: 131 total cpu time spent up to now is 23.4 secs Computing kpt #: 132 total cpu time spent up to now is 23.5 secs Computing kpt #: 133 total cpu time spent up to now is 23.7 secs Computing kpt #: 134 total cpu time spent up to now is 23.8 secs Computing kpt #: 135 total cpu time spent up to now is 24.0 secs Computing kpt #: 136 total cpu time spent up to now is 24.1 secs Computing kpt #: 137 total cpu time spent up to now is 24.3 secs Computing kpt #: 138 total cpu time spent up to now is 24.5 secs Computing kpt #: 139 total cpu time spent up to now is 24.6 secs Computing kpt #: 140 total cpu time spent up to now is 24.8 secs Computing kpt #: 141 total cpu time spent up to now is 24.9 secs Computing kpt #: 142 total cpu time spent up to now is 25.1 secs Computing kpt #: 143 total cpu time spent up to now is 25.2 secs Computing kpt #: 144 total cpu time spent up to now is 25.4 secs Computing kpt #: 145 total cpu time spent up to now is 25.6 secs Computing kpt #: 146 total cpu time spent up to now is 25.7 secs Computing kpt #: 147 total cpu time spent up to now is 25.9 secs Computing kpt #: 148 total cpu time spent up to now is 26.0 secs Computing kpt #: 149 total cpu time spent up to now is 26.2 secs Computing kpt #: 150 total cpu time spent up to now is 26.4 secs Computing kpt #: 151 total cpu time spent up to now is 26.5 secs Computing kpt #: 152 total cpu time spent up to now is 26.7 secs Computing kpt #: 153 total cpu time spent up to now is 26.9 secs Computing kpt #: 154 total cpu time spent up to now is 27.0 secs Computing kpt #: 155 total cpu time spent up to now is 27.2 secs Computing kpt #: 156 total cpu time spent up to now is 27.4 secs Computing kpt #: 157 total cpu time spent up to now is 27.6 secs Computing kpt #: 158 total cpu time spent up to now is 27.7 secs Computing kpt #: 159 total cpu time spent up to now is 27.9 secs Computing kpt #: 160 total cpu time spent up to now is 28.1 secs Computing kpt #: 161 total cpu time spent up to now is 28.2 secs Computing kpt #: 162 total cpu time spent up to now is 28.4 secs Computing kpt #: 163 total cpu time spent up to now is 28.6 secs Computing kpt #: 164 total cpu time spent up to now is 28.8 secs Computing kpt #: 165 total cpu time spent up to now is 28.9 secs Computing kpt #: 166 total cpu time spent up to now is 29.1 secs Computing kpt #: 167 total cpu time spent up to now is 29.3 secs Computing kpt #: 168 total cpu time spent up to now is 29.4 secs Computing kpt #: 169 total cpu time spent up to now is 29.6 secs Computing kpt #: 170 total cpu time spent up to now is 29.8 secs Computing kpt #: 171 total cpu time spent up to now is 29.9 secs Computing kpt #: 172 total cpu time spent up to now is 30.1 secs Computing kpt #: 173 total cpu time spent up to now is 30.3 secs Computing kpt #: 174 total cpu time spent up to now is 30.5 secs Computing kpt #: 175 total cpu time spent up to now is 30.6 secs Computing kpt #: 176 total cpu time spent up to now is 30.8 secs Computing kpt #: 177 total cpu time spent up to now is 30.9 secs Computing kpt #: 178 total cpu time spent up to now is 31.1 secs Computing kpt #: 179 total cpu time spent up to now is 31.3 secs Computing kpt #: 180 total cpu time spent up to now is 31.5 secs Computing kpt #: 181 total cpu time spent up to now is 31.6 secs Computing kpt #: 182 total cpu time spent up to now is 31.8 secs Computing kpt #: 183 total cpu time spent up to now is 32.0 secs Computing kpt #: 184 total cpu time spent up to now is 32.2 secs Computing kpt #: 185 total cpu time spent up to now is 32.3 secs Computing kpt #: 186 total cpu time spent up to now is 32.5 secs Computing kpt #: 187 total cpu time spent up to now is 32.7 secs Computing kpt #: 188 total cpu time spent up to now is 32.9 secs Computing kpt #: 189 total cpu time spent up to now is 33.0 secs Computing kpt #: 190 total cpu time spent up to now is 33.2 secs Computing kpt #: 191 total cpu time spent up to now is 33.4 secs Computing kpt #: 192 total cpu time spent up to now is 33.5 secs Computing kpt #: 193 total cpu time spent up to now is 33.7 secs Computing kpt #: 194 total cpu time spent up to now is 33.8 secs Computing kpt #: 195 total cpu time spent up to now is 34.0 secs Computing kpt #: 196 total cpu time spent up to now is 34.2 secs Computing kpt #: 197 total cpu time spent up to now is 34.3 secs Computing kpt #: 198 total cpu time spent up to now is 34.5 secs Computing kpt #: 199 total cpu time spent up to now is 34.6 secs Computing kpt #: 200 total cpu time spent up to now is 34.8 secs Computing kpt #: 201 total cpu time spent up to now is 35.0 secs Computing kpt #: 202 total cpu time spent up to now is 35.1 secs Computing kpt #: 203 total cpu time spent up to now is 35.3 secs Computing kpt #: 204 total cpu time spent up to now is 35.4 secs Computing kpt #: 205 total cpu time spent up to now is 35.6 secs Computing kpt #: 206 total cpu time spent up to now is 35.8 secs Computing kpt #: 207 total cpu time spent up to now is 35.9 secs Computing kpt #: 208 total cpu time spent up to now is 36.1 secs Computing kpt #: 209 total cpu time spent up to now is 36.2 secs Computing kpt #: 210 total cpu time spent up to now is 36.4 secs Computing kpt #: 211 total cpu time spent up to now is 36.5 secs Computing kpt #: 212 total cpu time spent up to now is 36.7 secs Computing kpt #: 213 total cpu time spent up to now is 36.8 secs Computing kpt #: 214 total cpu time spent up to now is 37.0 secs Computing kpt #: 215 total cpu time spent up to now is 37.2 secs Computing kpt #: 216 total cpu time spent up to now is 37.3 secs Computing kpt #: 217 total cpu time spent up to now is 37.5 secs Computing kpt #: 218 total cpu time spent up to now is 37.6 secs Computing kpt #: 219 total cpu time spent up to now is 37.8 secs Computing kpt #: 220 total cpu time spent up to now is 37.9 secs Computing kpt #: 221 total cpu time spent up to now is 38.1 secs Computing kpt #: 222 total cpu time spent up to now is 38.2 secs Computing kpt #: 223 total cpu time spent up to now is 38.4 secs Computing kpt #: 224 total cpu time spent up to now is 38.5 secs Computing kpt #: 225 total cpu time spent up to now is 38.7 secs Computing kpt #: 226 total cpu time spent up to now is 38.8 secs Computing kpt #: 227 total cpu time spent up to now is 39.0 secs Computing kpt #: 228 total cpu time spent up to now is 39.2 secs Computing kpt #: 229 total cpu time spent up to now is 39.3 secs Computing kpt #: 230 total cpu time spent up to now is 39.5 secs Computing kpt #: 231 total cpu time spent up to now is 39.6 secs Computing kpt #: 232 total cpu time spent up to now is 39.8 secs Computing kpt #: 233 total cpu time spent up to now is 39.9 secs Computing kpt #: 234 total cpu time spent up to now is 40.1 secs Computing kpt #: 235 total cpu time spent up to now is 40.2 secs Computing kpt #: 236 total cpu time spent up to now is 40.4 secs Computing kpt #: 237 total cpu time spent up to now is 40.5 secs Computing kpt #: 238 total cpu time spent up to now is 40.7 secs Computing kpt #: 239 total cpu time spent up to now is 40.8 secs Computing kpt #: 240 total cpu time spent up to now is 41.0 secs Computing kpt #: 241 total cpu time spent up to now is 41.1 secs Computing kpt #: 242 total cpu time spent up to now is 41.3 secs Computing kpt #: 243 total cpu time spent up to now is 41.4 secs Computing kpt #: 244 total cpu time spent up to now is 41.6 secs Computing kpt #: 245 total cpu time spent up to now is 41.7 secs Computing kpt #: 246 total cpu time spent up to now is 41.9 secs Computing kpt #: 247 total cpu time spent up to now is 42.0 secs Computing kpt #: 248 total cpu time spent up to now is 42.2 secs Computing kpt #: 249 total cpu time spent up to now is 42.3 secs Computing kpt #: 250 total cpu time spent up to now is 42.5 secs Computing kpt #: 251 total cpu time spent up to now is 42.6 secs Computing kpt #: 252 total cpu time spent up to now is 42.8 secs Computing kpt #: 253 total cpu time spent up to now is 42.9 secs Computing kpt #: 254 total cpu time spent up to now is 43.1 secs Computing kpt #: 255 total cpu time spent up to now is 43.2 secs Computing kpt #: 256 total cpu time spent up to now is 43.4 secs Computing kpt #: 257 total cpu time spent up to now is 43.5 secs Computing kpt #: 258 total cpu time spent up to now is 43.7 secs Computing kpt #: 259 total cpu time spent up to now is 43.8 secs Computing kpt #: 260 total cpu time spent up to now is 44.0 secs Computing kpt #: 261 total cpu time spent up to now is 44.1 secs Computing kpt #: 262 total cpu time spent up to now is 44.3 secs Computing kpt #: 263 total cpu time spent up to now is 44.4 secs Computing kpt #: 264 total cpu time spent up to now is 44.6 secs Computing kpt #: 265 total cpu time spent up to now is 44.7 secs Computing kpt #: 266 total cpu time spent up to now is 44.9 secs Computing kpt #: 267 total cpu time spent up to now is 45.0 secs Computing kpt #: 268 total cpu time spent up to now is 45.2 secs Computing kpt #: 269 total cpu time spent up to now is 45.4 secs Computing kpt #: 270 total cpu time spent up to now is 45.5 secs Computing kpt #: 271 total cpu time spent up to now is 45.7 secs Computing kpt #: 272 total cpu time spent up to now is 45.8 secs Computing kpt #: 273 total cpu time spent up to now is 46.0 secs Computing kpt #: 274 total cpu time spent up to now is 46.1 secs Computing kpt #: 275 total cpu time spent up to now is 46.3 secs Computing kpt #: 276 total cpu time spent up to now is 46.4 secs Computing kpt #: 277 total cpu time spent up to now is 46.6 secs Computing kpt #: 278 total cpu time spent up to now is 46.7 secs Computing kpt #: 279 total cpu time spent up to now is 46.9 secs Computing kpt #: 280 total cpu time spent up to now is 47.0 secs Computing kpt #: 281 total cpu time spent up to now is 47.2 secs Computing kpt #: 282 total cpu time spent up to now is 47.3 secs Computing kpt #: 283 total cpu time spent up to now is 47.4 secs Computing kpt #: 284 total cpu time spent up to now is 47.6 secs Computing kpt #: 285 total cpu time spent up to now is 47.7 secs Computing kpt #: 286 total cpu time spent up to now is 47.9 secs Computing kpt #: 287 total cpu time spent up to now is 48.0 secs Computing kpt #: 288 total cpu time spent up to now is 48.2 secs Computing kpt #: 289 total cpu time spent up to now is 48.3 secs Computing kpt #: 290 total cpu time spent up to now is 48.5 secs Computing kpt #: 291 total cpu time spent up to now is 48.6 secs Computing kpt #: 292 total cpu time spent up to now is 48.8 secs Computing kpt #: 293 total cpu time spent up to now is 48.9 secs Computing kpt #: 294 total cpu time spent up to now is 49.1 secs Computing kpt #: 295 total cpu time spent up to now is 49.2 secs Computing kpt #: 296 total cpu time spent up to now is 49.4 secs Computing kpt #: 297 total cpu time spent up to now is 49.5 secs Computing kpt #: 298 total cpu time spent up to now is 49.7 secs Computing kpt #: 299 total cpu time spent up to now is 49.8 secs Computing kpt #: 300 total cpu time spent up to now is 50.0 secs Computing kpt #: 301 total cpu time spent up to now is 50.1 secs Computing kpt #: 302 total cpu time spent up to now is 50.3 secs Computing kpt #: 303 total cpu time spent up to now is 50.5 secs Computing kpt #: 304 total cpu time spent up to now is 50.6 secs Computing kpt #: 305 total cpu time spent up to now is 50.8 secs Computing kpt #: 306 total cpu time spent up to now is 50.9 secs Computing kpt #: 307 total cpu time spent up to now is 51.1 secs Computing kpt #: 308 total cpu time spent up to now is 51.2 secs Computing kpt #: 309 total cpu time spent up to now is 51.4 secs Computing kpt #: 310 total cpu time spent up to now is 51.5 secs Computing kpt #: 311 total cpu time spent up to now is 51.7 secs Computing kpt #: 312 total cpu time spent up to now is 51.8 secs Computing kpt #: 313 total cpu time spent up to now is 52.0 secs Computing kpt #: 314 total cpu time spent up to now is 52.2 secs Computing kpt #: 315 total cpu time spent up to now is 52.3 secs Computing kpt #: 316 total cpu time spent up to now is 52.5 secs Computing kpt #: 317 total cpu time spent up to now is 52.6 secs Computing kpt #: 318 total cpu time spent up to now is 52.8 secs Computing kpt #: 319 total cpu time spent up to now is 52.9 secs Computing kpt #: 320 total cpu time spent up to now is 53.1 secs Computing kpt #: 321 total cpu time spent up to now is 53.2 secs Computing kpt #: 322 total cpu time spent up to now is 53.4 secs Computing kpt #: 323 total cpu time spent up to now is 53.6 secs Computing kpt #: 324 total cpu time spent up to now is 53.7 secs Computing kpt #: 325 total cpu time spent up to now is 53.9 secs Computing kpt #: 326 total cpu time spent up to now is 54.0 secs Computing kpt #: 327 total cpu time spent up to now is 54.2 secs Computing kpt #: 328 total cpu time spent up to now is 54.3 secs Computing kpt #: 329 total cpu time spent up to now is 54.5 secs Computing kpt #: 330 total cpu time spent up to now is 54.6 secs ethr = 2.94E-08, avg # of iterations = 9.6 total cpu time spent up to now is 54.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -12.5502 -12.5502 -10.9616 -10.9616 -10.9546 -10.9546 -2.4132 -2.4132 -1.4682 -1.4682 -1.2306 -1.2306 -0.8630 -0.8630 0.4522 0.4522 0.5178 0.5178 0.9245 0.9245 1.5025 1.5025 1.5665 1.5665 3.8877 3.8877 3.9429 3.9429 4.2980 4.2980 5.9972 5.9972 6.1039 6.1039 6.1120 6.1120 6.6067 6.6067 8.7063 8.7063 8.7187 8.7187 k = 0.0119-0.0026-0.0022 ( 2049 PWs) bands (ev): -12.5495 -12.5495 -10.9615 -10.9615 -10.9545 -10.9545 -2.4141 -2.4141 -1.4687 -1.4687 -1.2315 -1.2315 -0.8638 -0.8638 0.4402 0.4402 0.5078 0.5078 0.9386 0.9386 1.5072 1.5072 1.5715 1.5715 3.8888 3.8888 3.9439 3.9439 4.2986 4.2986 5.9966 5.9966 6.1035 6.1035 6.1116 6.1116 6.6063 6.6063 8.7047 8.7047 8.7172 8.7173 k = 0.0238-0.0052-0.0044 ( 2055 PWs) bands (ev): -12.5475 -12.5475 -10.9614 -10.9614 -10.9544 -10.9544 -2.4165 -2.4165 -1.4701 -1.4701 -1.2340 -1.2340 -0.8660 -0.8660 0.3948 0.3948 0.4947 0.4947 0.9734 0.9734 1.5194 1.5194 1.5881 1.5881 3.8916 3.8916 3.9470 3.9470 4.3003 4.3003 5.9947 5.9947 6.1024 6.1024 6.1105 6.1105 6.6049 6.6049 8.6994 8.6994 8.7137 8.7137 k = 0.0357-0.0079-0.0066 ( 2054 PWs) bands (ev): -12.5441 -12.5441 -10.9613 -10.9613 -10.9543 -10.9543 -2.4204 -2.4204 -1.4724 -1.4724 -1.2381 -1.2381 -0.8696 -0.8696 0.3197 0.3197 0.4891 0.4891 1.0157 1.0157 1.5348 1.5348 1.6200 1.6200 3.8953 3.8953 3.9530 3.9530 4.3033 4.3033 5.9913 5.9913 6.1006 6.1006 6.1089 6.1089 6.6025 6.6025 8.6891 8.6891 8.7093 8.7093 k = 0.0476-0.0105-0.0088 ( 2057 PWs) bands (ev): -12.5393 -12.5393 -10.9611 -10.9611 -10.9540 -10.9540 -2.4259 -2.4259 -1.4756 -1.4756 -1.2439 -1.2439 -0.8746 -0.8746 0.2283 0.2283 0.4867 0.4867 1.0577 1.0577 1.5510 1.5510 1.6683 1.6683 3.8989 3.8989 3.9626 3.9626 4.3076 4.3076 5.9863 5.9863 6.0979 6.0979 6.1070 6.1070 6.5993 6.5993 8.6735 8.6735 8.7044 8.7044 k = 0.0595-0.0131-0.0110 ( 2057 PWs) bands (ev): -12.5332 -12.5332 -10.9609 -10.9609 -10.9536 -10.9536 -2.4329 -2.4329 -1.4797 -1.4797 -1.2512 -1.2512 -0.8808 -0.8808 0.1279 0.1279 0.4853 0.4853 1.0961 1.0961 1.5681 1.5681 1.7308 1.7308 3.9016 3.9016 3.9761 3.9761 4.3137 4.3137 5.9794 5.9794 6.0942 6.0942 6.1054 6.1054 6.5952 6.5952 8.6529 8.6529 8.6988 8.6988 k = 0.0714-0.0157-0.0131 ( 2055 PWs) bands (ev): -12.5259 -12.5259 -10.9606 -10.9606 -10.9532 -10.9532 -2.4414 -2.4414 -1.4848 -1.4848 -1.2601 -1.2601 -0.8883 -0.8883 0.0225 0.0225 0.4845 0.4845 1.1306 1.1306 1.5870 1.5870 1.8038 1.8038 3.9031 3.9031 3.9933 3.9933 4.3217 4.3217 5.9704 5.9704 6.0894 6.0894 6.1042 6.1042 6.5903 6.5903 8.6277 8.6277 8.6923 8.6923 k = 0.0833-0.0183-0.0153 ( 2054 PWs) bands (ev): -12.5172 -12.5172 -10.9604 -10.9604 -10.9526 -10.9526 -2.4513 -2.4513 -1.4910 -1.4910 -1.2706 -1.2706 -0.8970 -0.8970 -0.0858 -0.0858 0.4838 0.4838 1.1620 1.1620 1.6082 1.6082 1.8846 1.8846 3.9036 3.9036 4.0132 4.0132 4.3322 4.3322 5.9591 5.9591 6.0835 6.0835 6.1039 6.1039 6.5847 6.5847 8.5981 8.5981 8.6848 8.6848 k = 0.0952-0.0210-0.0175 ( 2060 PWs) bands (ev): -12.5073 -12.5073 -10.9602 -10.9602 -10.9519 -10.9519 -2.4626 -2.4626 -1.4984 -1.4984 -1.2826 -1.2826 -0.9067 -0.9067 -0.1955 -0.1955 0.4831 0.4831 1.1911 1.1911 1.6317 1.6317 1.9707 1.9707 3.9034 3.9034 4.0348 4.0348 4.3457 4.3457 5.9453 5.9453 6.0766 6.0766 6.1044 6.1044 6.5783 6.5783 8.5641 8.5641 8.6765 8.6765 k = 0.1071-0.0236-0.0197 ( 2063 PWs) bands (ev): -12.4962 -12.4962 -10.9600 -10.9600 -10.9511 -10.9511 -2.4751 -2.4751 -1.5071 -1.5071 -1.2962 -1.2962 -0.9176 -0.9176 -0.3052 -0.3052 0.4825 0.4825 1.2190 1.2190 1.6576 1.6576 2.0603 2.0603 3.9026 3.9026 4.0568 4.0568 4.3628 4.3628 5.9289 5.9289 6.0687 6.0687 6.1058 6.1058 6.5713 6.5713 8.5261 8.5261 8.6673 8.6673 k = 0.1190-0.0262-0.0219 ( 2063 PWs) bands (ev): -12.4839 -12.4839 -10.9598 -10.9598 -10.9501 -10.9501 -2.4889 -2.4889 -1.5172 -1.5172 -1.3113 -1.3113 -0.9294 -0.9294 -0.4137 -0.4137 0.4819 0.4819 1.2461 1.2461 1.6858 1.6858 2.1524 2.1524 3.9014 3.9014 4.0783 4.0783 4.3841 4.3841 5.9101 5.9101 6.0598 6.0598 6.1081 6.1081 6.5637 6.5637 8.4841 8.4841 8.6574 8.6574 k = 0.1310-0.0288-0.0241 ( 2063 PWs) bands (ev): -12.4705 -12.4705 -10.9597 -10.9597 -10.9491 -10.9491 -2.5038 -2.5038 -1.5292 -1.5292 -1.3281 -1.3281 -0.9424 -0.9424 -0.5198 -0.5198 0.4814 0.4814 1.2730 1.2730 1.7163 1.7163 2.2461 2.2461 3.8999 3.8999 4.0982 4.0982 4.4099 4.4099 5.8889 5.8889 6.0501 6.0501 6.1111 6.1111 6.5557 6.5557 8.4383 8.4383 8.6467 8.6467 k = 0.1429-0.0314-0.0263 ( 2063 PWs) bands (ev): -12.4560 -12.4560 -10.9596 -10.9596 -10.9479 -10.9479 -2.5198 -2.5198 -1.5435 -1.5435 -1.3465 -1.3465 -0.9570 -0.9570 -0.6218 -0.6218 0.4808 0.4808 1.2998 1.2998 1.7489 1.7489 2.3408 2.3408 3.8983 3.8983 4.1160 4.1160 4.4404 4.4404 5.8653 5.8653 6.0395 6.0395 6.1148 6.1148 6.5472 6.5472 8.3889 8.3889 8.6353 8.6353 k = 0.1548-0.0341-0.0285 ( 2065 PWs) bands (ev): -12.4406 -12.4406 -10.9595 -10.9595 -10.9467 -10.9467 -2.5367 -2.5367 -1.5609 -1.5609 -1.3666 -1.3666 -0.9738 -0.9738 -0.7176 -0.7176 0.4802 0.4802 1.3267 1.3267 1.7836 1.7836 2.4360 2.4360 3.8966 3.8966 4.1314 4.1314 4.4754 4.4754 5.8395 5.8395 6.0281 6.0281 6.1191 6.1191 6.5384 6.5384 8.3361 8.3361 8.6234 8.6234 k = 0.1667-0.0367-0.0307 ( 2067 PWs) bands (ev): -12.4242 -12.4242 -10.9595 -10.9595 -10.9454 -10.9454 -2.5545 -2.5545 -1.5823 -1.5823 -1.3882 -1.3882 -0.9946 -0.9946 -0.8039 -0.8039 0.4796 0.4796 1.3537 1.3537 1.8200 1.8200 2.5317 2.5317 3.8948 3.8948 4.1445 4.1445 4.5143 4.5143 5.8116 5.8116 6.0160 6.0160 6.1239 6.1239 6.5293 6.5293 8.2801 8.2801 8.6110 8.6110 k = 0.1786-0.0393-0.0329 ( 2065 PWs) bands (ev): -12.4069 -12.4069 -10.9595 -10.9595 -10.9441 -10.9441 -2.5731 -2.5731 -1.6092 -1.6092 -1.4108 -1.4108 -1.0231 -1.0231 -0.8754 -0.8754 0.4790 0.4790 1.3809 1.3809 1.8581 1.8581 2.6277 2.6277 3.8931 3.8931 4.1556 4.1556 4.5565 4.5565 5.7816 5.7816 6.0032 6.0032 6.1292 6.1292 6.5200 6.5200 8.2211 8.2211 8.5983 8.5983 k = 0.1905-0.0419-0.0350 ( 2069 PWs) bands (ev): -12.3889 -12.3889 -10.9595 -10.9595 -10.9427 -10.9427 -2.5925 -2.5925 -1.6435 -1.6435 -1.4340 -1.4340 -1.0631 -1.0631 -0.9268 -0.9268 0.4785 0.4785 1.4082 1.4082 1.8978 1.8978 2.7237 2.7237 3.8914 3.8914 4.1649 4.1649 4.6010 4.6010 5.7497 5.7497 5.9897 5.9897 6.1348 6.1348 6.5107 6.5107 8.1592 8.1592 8.5852 8.5852 k = 0.2024-0.0445-0.0372 ( 2071 PWs) bands (ev): -12.3701 -12.3701 -10.9595 -10.9595 -10.9413 -10.9413 -2.6125 -2.6125 -1.6865 -1.6865 -1.4566 -1.4566 -1.1115 -1.1115 -0.9597 -0.9597 0.4779 0.4779 1.4356 1.4356 1.9388 1.9388 2.8199 2.8199 3.8899 3.8899 4.1728 4.1728 4.6472 4.6472 5.7159 5.7159 5.9755 5.9755 6.1408 6.1408 6.5013 6.5013 8.0947 8.0947 8.5719 8.5719 k = 0.2143-0.0471-0.0394 ( 2073 PWs) bands (ev): -12.3508 -12.3508 -10.9595 -10.9595 -10.9399 -10.9399 -2.6331 -2.6331 -1.7391 -1.7391 -1.4781 -1.4781 -1.1602 -1.1602 -0.9820 -0.9820 0.4774 0.4774 1.4630 1.4630 1.9809 1.9809 2.9161 2.9161 3.8887 3.8887 4.1796 4.1796 4.6943 4.6943 5.6805 5.6805 5.9609 5.9609 6.1470 6.1470 6.4920 6.4920 8.0278 8.0278 8.5585 8.5585 k = 0.2262-0.0498-0.0416 ( 2073 PWs) bands (ev): -12.3308 -12.3308 -10.9595 -10.9595 -10.9386 -10.9386 -2.6542 -2.6542 -1.8005 -1.8005 -1.4978 -1.4978 -1.2042 -1.2042 -0.9990 -0.9990 0.4769 0.4769 1.4903 1.4903 2.0240 2.0240 3.0125 3.0125 3.8877 3.8877 4.1856 4.1856 4.7418 4.7418 5.6434 5.6434 5.9457 5.9457 6.1534 6.1534 6.4828 6.4828 7.9587 7.9587 8.5450 8.5450 k = 0.2381-0.0524-0.0438 ( 2079 PWs) bands (ev): -12.3105 -12.3105 -10.9595 -10.9595 -10.9373 -10.9373 -2.6758 -2.6758 -1.8692 -1.8692 -1.5159 -1.5159 -1.2425 -1.2425 -1.0134 -1.0134 0.4764 0.4764 1.5173 1.5173 2.0679 2.0679 3.1088 3.1088 3.8871 3.8871 4.1909 4.1909 4.7889 4.7889 5.6048 5.6048 5.9300 5.9300 6.1599 6.1599 6.4738 6.4738 7.8877 7.8877 8.5316 8.5316 k = 0.2500-0.0550-0.0460 ( 2077 PWs) bands (ev): -12.2898 -12.2898 -10.9596 -10.9596 -10.9360 -10.9360 -2.6978 -2.6978 -1.9427 -1.9427 -1.5323 -1.5323 -1.2752 -1.2752 -1.0259 -1.0259 0.4759 0.4759 1.5440 1.5440 2.1124 2.1124 3.2053 3.2053 3.8869 3.8869 4.1958 4.1958 4.8353 4.8353 5.5649 5.5649 5.9140 5.9140 6.1666 6.1666 6.4650 6.4650 7.8150 7.8150 8.5183 8.5183 k = 0.2619-0.0576-0.0482 ( 2074 PWs) bands (ev): -12.2689 -12.2689 -10.9596 -10.9596 -10.9348 -10.9348 -2.7203 -2.7203 -2.0189 -2.0189 -1.5475 -1.5475 -1.3035 -1.3035 -1.0372 -1.0372 0.4755 0.4755 1.5703 1.5703 2.1572 2.1572 3.3018 3.3018 3.8872 3.8872 4.2002 4.2002 4.8806 4.8806 5.5237 5.5237 5.8977 5.8977 6.1733 6.1733 6.4564 6.4564 7.7408 7.7408 8.5052 8.5052 k = 0.2738-0.0602-0.0504 ( 2070 PWs) bands (ev): -12.2479 -12.2479 -10.9597 -10.9597 -10.9336 -10.9336 -2.7432 -2.7432 -2.0959 -2.0959 -1.5617 -1.5617 -1.3283 -1.3283 -1.0476 -1.0476 0.4751 0.4751 1.5962 1.5962 2.2022 2.2022 3.3983 3.3983 3.8882 3.8882 4.2043 4.2043 4.9242 4.9242 5.4815 5.4815 5.8810 5.8810 6.1800 6.1800 6.4482 6.4482 7.6655 7.6655 8.4924 8.4924 k = 0.2857-0.0629-0.0526 ( 2070 PWs) bands (ev): -12.2269 -12.2269 -10.9597 -10.9597 -10.9325 -10.9325 -2.7667 -2.7667 -2.1723 -2.1723 -1.5750 -1.5750 -1.3502 -1.3502 -1.0571 -1.0571 0.4748 0.4748 1.6213 1.6213 2.2472 2.2472 3.4947 3.4947 3.8897 3.8897 4.2082 4.2082 4.9659 4.9659 5.4383 5.4383 5.8640 5.8640 6.1866 6.1866 6.4403 6.4403 7.5893 7.5893 8.4799 8.4799 k = 0.2976-0.0655-0.0548 ( 2072 PWs) bands (ev): -12.2060 -12.2060 -10.9598 -10.9598 -10.9315 -10.9315 -2.7907 -2.7907 -2.2466 -2.2466 -1.5877 -1.5877 -1.3699 -1.3699 -1.0660 -1.0660 0.4744 0.4744 1.6458 1.6458 2.2918 2.2918 3.5911 3.5911 3.8921 3.8921 4.2119 4.2119 5.0054 5.0054 5.3944 5.3944 5.8467 5.8467 6.1931 6.1931 6.4329 6.4329 7.5125 7.5125 8.4678 8.4678 k = 0.3095-0.0681-0.0570 ( 2074 PWs) bands (ev): -12.1854 -12.1854 -10.9598 -10.9598 -10.9307 -10.9307 -2.8154 -2.8154 -2.3179 -2.3179 -1.5997 -1.5997 -1.3878 -1.3878 -1.0743 -1.0743 0.4740 0.4740 1.6694 1.6694 2.3359 2.3359 3.6874 3.6874 3.8953 3.8953 4.2154 4.2154 5.0424 5.0424 5.3499 5.3499 5.8291 5.8291 6.1995 6.1995 6.4258 6.4258 7.4355 7.4355 8.4561 8.4561 k = 0.3214-0.0707-0.0591 ( 2077 PWs) bands (ev): -12.1651 -12.1651 -10.9599 -10.9599 -10.9299 -10.9299 -2.8410 -2.8410 -2.3852 -2.3852 -1.6111 -1.6111 -1.4040 -1.4040 -1.0819 -1.0819 0.4737 0.4737 1.6921 1.6921 2.3792 2.3792 3.7833 3.7833 3.8994 3.8994 4.2188 4.2188 5.0767 5.0767 5.3051 5.3051 5.8111 5.8111 6.2057 6.2057 6.4191 6.4191 7.3588 7.3588 8.4449 8.4449 k = 0.3333-0.0733-0.0613 ( 2077 PWs) bands (ev): -12.1453 -12.1453 -10.9599 -10.9599 -10.9292 -10.9292 -2.8675 -2.8675 -2.4477 -2.4477 -1.6218 -1.6218 -1.4189 -1.4189 -1.0888 -1.0888 0.4733 0.4733 1.7138 1.7138 2.4214 2.4214 3.8775 3.8775 3.9059 3.9059 4.2221 4.2221 5.1081 5.1081 5.2604 5.2604 5.7927 5.7927 6.2117 6.2117 6.4128 6.4128 7.2826 7.2826 8.4343 8.4343 k = 0.3452-0.0760-0.0635 ( 2080 PWs) bands (ev): -12.1262 -12.1262 -10.9600 -10.9600 -10.9286 -10.9286 -2.8952 -2.8952 -2.5050 -2.5050 -1.6318 -1.6318 -1.4326 -1.4326 -1.0952 -1.0952 0.4730 0.4730 1.7344 1.7344 2.4622 2.4622 3.9090 3.9090 3.9755 3.9755 4.2254 4.2254 5.1357 5.1357 5.2166 5.2166 5.7735 5.7735 6.2175 6.2175 6.4070 6.4070 7.2076 7.2076 8.4243 8.4243 k = 0.3571-0.0786-0.0657 ( 2080 PWs) bands (ev): -12.1078 -12.1078 -10.9600 -10.9600 -10.9281 -10.9281 -2.9240 -2.9240 -2.5563 -2.5563 -1.6413 -1.6413 -1.4450 -1.4450 -1.1010 -1.1010 0.4727 0.4727 1.7539 1.7539 2.5015 2.5015 3.9164 3.9164 4.0696 4.0696 4.2286 4.2286 5.1522 5.1522 5.1813 5.1813 5.7535 5.7535 6.2229 6.2229 6.4015 6.4015 7.1342 7.1342 8.4149 8.4149 k = 0.3690-0.0812-0.0679 ( 2078 PWs) bands (ev): -12.0903 -12.0903 -10.9601 -10.9601 -10.9278 -10.9278 -2.9537 -2.9537 -2.6016 -2.6016 -1.6500 -1.6500 -1.4564 -1.4564 -1.1062 -1.1062 0.4725 0.4725 1.7721 1.7721 2.5389 2.5389 3.9244 3.9244 4.1628 4.1628 4.2321 4.2321 5.1220 5.1220 5.1905 5.1905 5.7323 5.7323 6.2281 6.2281 6.3965 6.3965 7.0631 7.0631 8.4061 8.4061 k = 0.3810-0.0838-0.0701 ( 2076 PWs) bands (ev): -12.0738 -12.0738 -10.9601 -10.9601 -10.9275 -10.9275 -2.9839 -2.9839 -2.6409 -2.6409 -1.6581 -1.6581 -1.4666 -1.4666 -1.1109 -1.1109 0.4723 0.4723 1.7889 1.7889 2.5741 2.5741 3.9333 3.9333 4.2307 4.2307 4.2597 4.2597 5.0805 5.0805 5.2092 5.2092 5.7096 5.7096 6.2329 6.2329 6.3919 6.3919 6.9950 6.9950 8.3981 8.3981 k = 0.3929-0.0864-0.0723 ( 2074 PWs) bands (ev): -12.0584 -12.0584 -10.9601 -10.9601 -10.9272 -10.9272 -3.0141 -3.0141 -2.6745 -2.6745 -1.6655 -1.6655 -1.4759 -1.4759 -1.1151 -1.1151 0.4720 0.4720 1.8044 1.8044 2.6069 2.6069 3.9430 3.9430 4.2355 4.2355 4.3487 4.3487 5.0394 5.0394 5.2261 5.2261 5.6850 5.6850 6.2373 6.2373 6.3876 6.3876 6.9305 6.9305 8.3907 8.3907 k = 0.4048-0.0891-0.0745 ( 2076 PWs) bands (ev): -12.0443 -12.0443 -10.9602 -10.9602 -10.9271 -10.9271 -3.0436 -3.0436 -2.7028 -2.7028 -1.6722 -1.6722 -1.4843 -1.4843 -1.1189 -1.1189 0.4718 0.4718 1.8184 1.8184 2.6370 2.6370 3.9533 3.9533 4.2382 4.2382 4.4379 4.4379 5.0000 5.0000 5.2405 5.2405 5.6583 5.6583 6.2413 6.2413 6.3836 6.3836 6.8705 6.8705 8.3841 8.3841 k = 0.4167-0.0917-0.0767 ( 2073 PWs) bands (ev): -12.0315 -12.0315 -10.9602 -10.9602 -10.9270 -10.9270 -3.0714 -3.0714 -2.7263 -2.7263 -1.6781 -1.6781 -1.4916 -1.4916 -1.1222 -1.1222 0.4717 0.4717 1.8309 1.8309 2.6642 2.6642 3.9641 3.9641 4.2405 4.2405 4.5249 4.5249 4.9629 4.9629 5.2524 5.2524 5.6291 5.6291 6.2449 6.2449 6.3800 6.3800 6.8158 6.8158 8.3782 8.3782 k = 0.4286-0.0943-0.0789 ( 2080 PWs) bands (ev): -12.0203 -12.0203 -10.9602 -10.9602 -10.9269 -10.9269 -3.0972 -3.0972 -2.7457 -2.7457 -1.6835 -1.6835 -1.4980 -1.4980 -1.1250 -1.1250 0.4714 0.4714 1.8418 1.8418 2.6882 2.6882 3.9748 3.9748 4.2424 4.2424 4.6087 4.6087 4.9286 4.9286 5.2620 5.2620 5.5975 5.5975 6.2480 6.2480 6.3766 6.3766 6.7670 6.7670 8.3731 8.3731 k = 0.4405-0.0969-0.0811 ( 2078 PWs) bands (ev): -12.0106 -12.0106 -10.9603 -10.9603 -10.9269 -10.9269 -3.1199 -3.1199 -2.7613 -2.7613 -1.6879 -1.6879 -1.5033 -1.5033 -1.1274 -1.1274 0.4713 0.4713 1.8512 1.8512 2.7088 2.7088 3.9853 3.9853 4.2441 4.2441 4.6883 4.6883 4.8980 4.8980 5.2692 5.2692 5.5639 5.5639 6.2507 6.2507 6.3736 6.3736 6.7249 6.7249 8.3687 8.3687 k = 0.4524-0.0995-0.0832 ( 2076 PWs) bands (ev): -12.0025 -12.0025 -10.9603 -10.9603 -10.9269 -10.9269 -3.1393 -3.1393 -2.7736 -2.7736 -1.6915 -1.6915 -1.5077 -1.5077 -1.1293 -1.1293 0.4713 0.4713 1.8589 1.8589 2.7260 2.7260 3.9949 3.9949 4.2455 4.2455 4.7620 4.7620 4.8716 4.8716 5.2742 5.2742 5.5293 5.5293 6.2529 6.2529 6.3709 6.3709 6.6900 6.6900 8.3652 8.3652 k = 0.4643-0.1022-0.0854 ( 2072 PWs) bands (ev): -11.9961 -11.9961 -10.9603 -10.9603 -10.9270 -10.9270 -3.1547 -3.1547 -2.7829 -2.7829 -1.6944 -1.6944 -1.5111 -1.5111 -1.1308 -1.1308 0.4713 0.4713 1.8649 1.8649 2.7394 2.7394 4.0032 4.0032 4.2466 4.2466 4.8270 4.8270 4.8506 4.8506 5.2769 5.2769 5.4958 5.4958 6.2547 6.2547 6.3687 6.3687 6.6627 6.6627 8.3624 8.3624 k = 0.4762-0.1048-0.0876 ( 2076 PWs) bands (ev): -11.9916 -11.9916 -10.9603 -10.9603 -10.9270 -10.9270 -3.1660 -3.1660 -2.7893 -2.7893 -1.6964 -1.6964 -1.5136 -1.5136 -1.1319 -1.1319 0.4712 0.4712 1.8692 1.8692 2.7491 2.7491 4.0095 4.0095 4.2474 4.2474 4.8339 4.8339 4.8812 4.8812 5.2774 5.2774 5.4667 5.4667 6.2559 6.2559 6.3669 6.3669 6.6431 6.6431 8.3604 8.3604 k = 0.4881-0.1074-0.0898 ( 2080 PWs) bands (ev): -11.9888 -11.9888 -10.9603 -10.9603 -10.9270 -10.9270 -3.1728 -3.1728 -2.7932 -2.7932 -1.6977 -1.6977 -1.5151 -1.5151 -1.1326 -1.1326 0.4712 0.4712 1.8718 1.8718 2.7550 2.7550 4.0136 4.0136 4.2479 4.2479 4.8243 4.8243 4.9171 4.9171 5.2765 5.2765 5.4464 5.4464 6.2567 6.2567 6.3658 6.3658 6.6314 6.6314 8.3592 8.3592 k = 0.5000-0.1100-0.0920 ( 2078 PWs) bands (ev): -11.9879 -11.9879 -10.9603 -10.9603 -10.9270 -10.9270 -3.1751 -3.1751 -2.7944 -2.7944 -1.6981 -1.6981 -1.5156 -1.5156 -1.1328 -1.1328 0.4711 0.4711 1.8726 1.8726 2.7569 2.7569 4.0150 4.0150 4.2481 4.2481 4.8210 4.8210 4.9300 4.9300 5.2759 5.2759 5.4392 5.4392 6.2569 6.2569 6.3654 6.3654 6.6274 6.6274 8.3588 8.3588 k = 0.5000-0.1100-0.0920 ( 2078 PWs) bands (ev): -11.9879 -11.9879 -10.9603 -10.9603 -10.9270 -10.9270 -3.1751 -3.1751 -2.7944 -2.7944 -1.6981 -1.6981 -1.5156 -1.5156 -1.1328 -1.1328 0.4711 0.4711 1.8726 1.8726 2.7569 2.7569 4.0150 4.0150 4.2481 4.2481 4.8210 4.8210 4.9300 4.9300 5.2759 5.2759 5.4392 5.4392 6.2569 6.2569 6.3654 6.3654 6.6274 6.6274 8.3588 8.3588 k = 0.5000-0.1021-0.1015 ( 2076 PWs) bands (ev): -11.9871 -11.9871 -10.9645 -10.9645 -10.9228 -10.9228 -3.1752 -3.1752 -2.7959 -2.7959 -1.6969 -1.6969 -1.5158 -1.5158 -1.1328 -1.1328 0.4617 0.4617 1.8827 1.8827 2.7527 2.7527 4.0163 4.0163 4.2495 4.2495 4.8170 4.8170 4.9307 4.9307 5.2794 5.2794 5.4369 5.4369 6.2518 6.2518 6.3726 6.3726 6.6311 6.6311 8.3562 8.3562 k = 0.5000-0.0941-0.1110 ( 2076 PWs) bands (ev): -11.9848 -11.9848 -10.9739 -10.9739 -10.9136 -10.9136 -3.1756 -3.1756 -2.8003 -2.8003 -1.6935 -1.6935 -1.5167 -1.5167 -1.1331 -1.1331 0.4344 0.4344 1.9123 1.9123 2.7401 2.7401 4.0204 4.0204 4.2540 4.2540 4.8054 4.8054 4.9329 4.9329 5.2894 5.2894 5.4303 5.4303 6.2406 6.2406 6.3899 6.3899 6.6421 6.6421 8.3486 8.3486 k = 0.5000-0.0861-0.1205 ( 2074 PWs) bands (ev): -11.9809 -11.9809 -10.9850 -10.9850 -10.9026 -10.9026 -3.1762 -3.1762 -2.8074 -2.8074 -1.6880 -1.6880 -1.5181 -1.5181 -1.1336 -1.1336 0.3914 0.3914 1.9591 1.9591 2.7194 2.7194 4.0272 4.0272 4.2613 4.2613 4.7870 4.7870 4.9366 4.9366 5.3038 5.3038 5.4200 5.4200 6.2295 6.2295 6.4111 6.4111 6.6606 6.6606 8.3359 8.3359 k = 0.5000-0.0782-0.1301 ( 2080 PWs) bands (ev): -11.9755 -11.9755 -10.9969 -10.9969 -10.8910 -10.8910 -3.1771 -3.1771 -2.8171 -2.8171 -1.6808 -1.6808 -1.5201 -1.5201 -1.1345 -1.1345 0.3352 0.3352 2.0203 2.0203 2.6909 2.6909 4.0367 4.0367 4.2716 4.2716 4.7630 4.7630 4.9418 4.9418 5.3183 5.3183 5.4089 5.4089 6.2222 6.2222 6.4328 6.4328 6.6863 6.6863 8.3183 8.3183 k = 0.5000-0.0702-0.1396 ( 2084 PWs) bands (ev): -11.9686 -11.9686 -11.0092 -11.0092 -10.8791 -10.8791 -3.1782 -3.1782 -2.8291 -2.8291 -1.6723 -1.6723 -1.5225 -1.5225 -1.1355 -1.1355 0.2688 0.2688 2.0930 2.0930 2.6553 2.6553 4.0490 4.0490 4.2848 4.2848 4.7346 4.7346 4.9484 4.9484 5.3232 5.3232 5.4056 5.4056 6.2209 6.2209 6.4533 6.4533 6.7187 6.7187 8.2960 8.2960 k = 0.5000-0.0623-0.1491 ( 2080 PWs) bands (ev): -11.9601 -11.9601 -11.0217 -11.0217 -10.8670 -10.8670 -3.1795 -3.1795 -2.8432 -2.8432 -1.6627 -1.6627 -1.5251 -1.5251 -1.1366 -1.1366 0.1950 0.1950 2.1743 2.1743 2.6133 2.6133 4.0639 4.0639 4.3008 4.3008 4.7026 4.7026 4.9566 4.9566 5.3082 5.3082 5.4190 5.4190 6.2264 6.2264 6.4724 6.4724 6.7566 6.7566 8.2690 8.2690 k = 0.5000-0.0543-0.1586 ( 2080 PWs) bands (ev): -11.9501 -11.9501 -11.0343 -11.0343 -10.8548 -10.8548 -3.1812 -3.1812 -2.8591 -2.8591 -1.6530 -1.6530 -1.5278 -1.5278 -1.1378 -1.1378 0.1155 0.1155 2.2613 2.2613 2.5663 2.5663 4.0814 4.0814 4.3197 4.3197 4.6679 4.6679 4.9662 4.9662 5.2782 5.2782 5.4440 5.4440 6.2389 6.2389 6.4904 6.4904 6.7989 6.7989 8.2376 8.2376 k = 0.5000-0.0464-0.1681 ( 2082 PWs) bands (ev): -11.9387 -11.9387 -11.0471 -11.0471 -10.8425 -10.8425 -3.1831 -3.1831 -2.8763 -2.8763 -1.6438 -1.6438 -1.5302 -1.5302 -1.1392 -1.1392 0.0321 0.0321 2.3486 2.3486 2.5187 2.5187 4.1016 4.1016 4.3414 4.3414 4.6311 4.6311 4.9772 4.9772 5.2395 5.2395 5.4738 5.4738 6.2583 6.2583 6.5076 6.5076 6.8446 6.8446 8.2021 8.2021 k = 0.5000-0.0384-0.1776 ( 2086 PWs) bands (ev): -11.9257 -11.9257 -11.0600 -11.0600 -10.8302 -10.8302 -3.1853 -3.1853 -2.8947 -2.8947 -1.6360 -1.6360 -1.5319 -1.5319 -1.1406 -1.1406 -0.0538 -0.0538 2.4018 2.4018 2.5041 2.5041 4.1242 4.1242 4.3658 4.3658 4.5925 4.5925 4.9895 4.9895 5.1951 5.1951 5.5057 5.5057 6.2840 6.2840 6.5246 6.5246 6.8928 6.8928 8.1628 8.1628 k = 0.5000-0.0304-0.1871 ( 2084 PWs) bands (ev): -11.9112 -11.9112 -11.0731 -11.0731 -10.8178 -10.8178 -3.1878 -3.1878 -2.9139 -2.9139 -1.6306 -1.6306 -1.5323 -1.5323 -1.1420 -1.1420 -0.1411 -0.1411 2.3644 2.3644 2.5786 2.5786 4.1492 4.1492 4.3929 4.3929 4.5527 4.5527 5.0029 5.0029 5.1469 5.1469 5.5384 5.5384 6.3154 6.3154 6.5416 6.5416 6.9427 6.9427 8.1200 8.1200 k = 0.5000-0.0225-0.1967 ( 2082 PWs) bands (ev): -11.8953 -11.8953 -11.0862 -11.0862 -10.8054 -10.8054 -3.1907 -3.1907 -2.9335 -2.9335 -1.6283 -1.6283 -1.5312 -1.5312 -1.1434 -1.1434 -0.2291 -0.2291 2.3007 2.3007 2.6775 2.6775 4.1763 4.1763 4.4224 4.4224 4.5124 4.5124 5.0160 5.0160 5.0971 5.0971 5.5711 5.5711 6.3519 6.3519 6.5589 6.5589 6.9938 6.9938 8.0740 8.0740 k = 0.5000-0.0145-0.2062 ( 2084 PWs) bands (ev): -11.8780 -11.8780 -11.0994 -11.0994 -10.7930 -10.7930 -3.1940 -3.1940 -2.9533 -2.9533 -1.6297 -1.6297 -1.5288 -1.5288 -1.1448 -1.1448 -0.3169 -0.3169 2.2301 2.2301 2.7813 2.7813 4.2053 4.2053 4.4493 4.4493 4.4768 4.4768 5.0170 5.0170 5.0585 5.0585 5.6035 5.6035 6.3925 6.3925 6.5765 6.5765 7.0458 7.0458 8.0252 8.0252 k = 0.5000-0.0066-0.2157 ( 2084 PWs) bands (ev): -11.8592 -11.8592 -11.1127 -11.1127 -10.7805 -10.7805 -3.1976 -3.1976 -2.9730 -2.9730 -1.6344 -1.6344 -1.5257 -1.5257 -1.1462 -1.1462 -0.4039 -0.4039 2.1554 2.1554 2.8871 2.8871 4.2359 4.2359 4.4238 4.4238 4.4962 4.4962 4.9746 4.9746 5.0630 5.0630 5.6352 5.6352 6.4366 6.4366 6.5947 6.5947 7.0983 7.0983 7.9741 7.9741 k = 0.5000 0.0014-0.2252 ( 2086 PWs) bands (ev): -11.8390 -11.8390 -11.1261 -11.1261 -10.7680 -10.7680 -3.2017 -3.2017 -2.9923 -2.9923 -1.6421 -1.6421 -1.5229 -1.5229 -1.1477 -1.1477 -0.4893 -0.4893 2.0777 2.0777 2.9937 2.9937 4.2673 4.2673 4.3822 4.3822 4.5347 4.5347 4.9190 4.9190 5.0809 5.0809 5.6661 5.6661 6.4834 6.4834 6.6138 6.6138 7.1511 7.1511 7.9212 7.9212 k = 0.5000 0.0093-0.2347 ( 2086 PWs) bands (ev): -11.8174 -11.8174 -11.1395 -11.1395 -10.7555 -10.7555 -3.2062 -3.2062 -3.0110 -3.0110 -1.6523 -1.6523 -1.5213 -1.5213 -1.1494 -1.1494 -0.5723 -0.5723 1.9974 1.9974 3.1005 3.1005 4.2972 4.2972 4.3416 4.3416 4.5777 4.5777 4.8612 4.8612 5.1018 5.1018 5.6962 5.6962 6.5315 6.5315 6.6342 6.6343 7.2040 7.2040 7.8669 7.8669 k = 0.5000 0.0173-0.2442 ( 2086 PWs) bands (ev): -11.7945 -11.7945 -11.1530 -11.1530 -10.7429 -10.7429 -3.2112 -3.2112 -3.0290 -3.0290 -1.6648 -1.6648 -1.5219 -1.5219 -1.1517 -1.1517 -0.6520 -0.6520 1.9152 1.9152 3.2071 3.2071 4.2896 4.2896 4.3382 4.3382 4.6248 4.6248 4.8025 4.8025 5.1248 5.1248 5.7254 5.7254 6.5791 6.5791 6.6576 6.6576 7.2569 7.2569 7.8119 7.8119 k = 0.5000 0.0253-0.2538 ( 2088 PWs) bands (ev): -11.7703 -11.7703 -11.1666 -11.1666 -10.7303 -10.7303 -3.2167 -3.2167 -3.0459 -3.0459 -1.6794 -1.6794 -1.5252 -1.5252 -1.1553 -1.1553 -0.7274 -0.7274 1.8315 1.8315 3.3129 3.3129 4.2478 4.2478 4.3681 4.3681 4.6761 4.6761 4.7438 4.7438 5.1494 5.1494 5.7537 5.7537 6.6221 6.6221 6.6873 6.6873 7.3096 7.3096 7.7565 7.7565 k = 0.5000 0.0332-0.2633 ( 2086 PWs) bands (ev): -11.7448 -11.7448 -11.1802 -11.1802 -10.7178 -10.7178 -3.2227 -3.2227 -3.0617 -3.0617 -1.6960 -1.6960 -1.5320 -1.5320 -1.1610 -1.1610 -0.7966 -0.7966 1.7464 1.7464 3.4177 3.4177 4.2040 4.2040 4.3988 4.3988 4.6852 4.6852 4.7321 4.7321 5.1757 5.1757 5.7811 5.7811 6.6557 6.6557 6.7277 6.7277 7.3622 7.3622 7.7016 7.7016 k = 0.5000 0.0412-0.2728 ( 2084 PWs) bands (ev): -11.7180 -11.7180 -11.1939 -11.1939 -10.7051 -10.7051 -3.2291 -3.2291 -3.0763 -3.0763 -1.7149 -1.7149 -1.5426 -1.5426 -1.1704 -1.1704 -0.8580 -0.8580 1.6604 1.6604 3.5210 3.5210 4.1598 4.1598 4.4279 4.4279 4.6274 4.6274 4.7926 4.7926 5.2036 5.2036 5.8077 5.8077 6.6813 6.6813 6.7771 6.7771 7.4144 7.4144 7.6476 7.6476 k = 0.5000 0.0491-0.2823 ( 2088 PWs) bands (ev): -11.6900 -11.6900 -11.2076 -11.2076 -10.6926 -10.6926 -3.2359 -3.2359 -3.0895 -3.0895 -1.7364 -1.7364 -1.5574 -1.5574 -1.1852 -1.1852 -0.9092 -0.9092 1.5738 1.5738 3.6225 3.6225 4.1156 4.1156 4.4548 4.4548 4.5706 4.5706 4.8579 4.8579 5.2331 5.2331 5.8334 5.8334 6.7029 6.7029 6.8310 6.8310 7.4663 7.4663 7.5953 7.5953 k = 0.5000 0.0571-0.2918 ( 2086 PWs) bands (ev): -11.6608 -11.6608 -11.2213 -11.2213 -10.6800 -10.6800 -3.2430 -3.2430 -3.1013 -3.1013 -1.7607 -1.7607 -1.5764 -1.5764 -1.2064 -1.2064 -0.9483 -0.9483 1.4867 1.4867 3.7219 3.7219 4.0714 4.0714 4.4782 4.4782 4.5155 4.5155 4.9281 4.9281 5.2641 5.2641 5.8585 5.8585 6.7226 6.7226 6.8868 6.8868 7.5178 7.5178 7.5454 7.5454 k = 0.5000 0.0650-0.3013 ( 2082 PWs) bands (ev): -11.6305 -11.6305 -11.2350 -11.2350 -10.6674 -10.6674 -3.2503 -3.2503 -3.1118 -3.1118 -1.7885 -1.7885 -1.5993 -1.5993 -1.2339 -1.2339 -0.9754 -0.9754 1.3995 1.3995 3.8189 3.8189 4.0274 4.0274 4.4588 4.4588 4.5015 4.5015 5.0028 5.0028 5.2968 5.2968 5.8829 5.8829 6.7414 6.7414 6.9436 6.9436 7.4985 7.4985 7.5689 7.5689 k = 0.5000 0.0730-0.3108 ( 2082 PWs) bands (ev): -11.5991 -11.5991 -11.2487 -11.2487 -10.6549 -10.6549 -3.2576 -3.2576 -3.1211 -3.1211 -1.8206 -1.8206 -1.6258 -1.6258 -1.2656 -1.2656 -0.9929 -0.9929 1.3123 1.3123 3.9127 3.9127 3.9841 3.9841 4.4066 4.4066 4.5186 4.5186 5.0819 5.0819 5.3310 5.3310 5.9067 5.9067 6.7596 6.7596 7.0006 7.0006 7.4555 7.4555 7.6194 7.6194 k = 0.5000 0.0810-0.3204 ( 2086 PWs) bands (ev): -11.5667 -11.5667 -11.2623 -11.2623 -10.6424 -10.6424 -3.2649 -3.2649 -3.1291 -3.1291 -1.8574 -1.8574 -1.6546 -1.6546 -1.2987 -1.2987 -1.0035 -1.0035 1.2254 1.2254 3.9387 3.9387 4.0055 4.0055 4.3556 4.3556 4.5328 4.5328 5.1647 5.1647 5.3669 5.3669 5.9299 5.9299 6.7773 6.7773 7.0574 7.0574 7.4169 7.4169 7.6693 7.6693 k = 0.5000 0.0889-0.3299 ( 2086 PWs) bands (ev): -11.5332 -11.5332 -11.2760 -11.2760 -10.6299 -10.6299 -3.2718 -3.2718 -3.1361 -3.1361 -1.8994 -1.8994 -1.6846 -1.6846 -1.3314 -1.3314 -1.0099 -1.0099 1.1389 1.1389 3.8961 3.8961 4.0914 4.0914 4.3069 4.3069 4.5442 4.5442 5.2504 5.2504 5.4052 5.4052 5.9525 5.9525 6.7946 6.7946 7.1139 7.1139 7.3835 7.3835 7.7186 7.7186 k = 0.5000 0.0969-0.3394 ( 2092 PWs) bands (ev): -11.4988 -11.4988 -11.2895 -11.2895 -10.6175 -10.6175 -3.2783 -3.2783 -3.1420 -3.1420 -1.9467 -1.9467 -1.7149 -1.7149 -1.3629 -1.3629 -1.0140 -1.0140 1.0530 1.0530 3.8535 3.8535 4.1695 4.1695 4.2630 4.2630 4.5538 4.5538 5.3364 5.3364 5.4475 5.4475 5.9747 5.9747 6.8115 6.8115 7.1698 7.1698 7.3559 7.3559 7.7672 7.7672 k = 0.5000 0.1048-0.3489 ( 2090 PWs) bands (ev): -11.4636 -11.4636 -11.3029 -11.3029 -10.6052 -10.6052 -3.2843 -3.2843 -3.1468 -3.1468 -1.9986 -1.9986 -1.7447 -1.7447 -1.3929 -1.3929 -1.0169 -1.0169 0.9680 0.9680 3.8113 3.8113 4.1985 4.1985 4.2622 4.2622 4.5642 4.5642 5.4162 5.4162 5.5000 5.5000 5.9963 5.9963 6.8281 6.8281 7.2250 7.2250 7.3347 7.3347 7.8152 7.8152 k = 0.5000 0.1128-0.3584 ( 2092 PWs) bands (ev): -11.4275 -11.4275 -11.3162 -11.3162 -10.5930 -10.5930 -3.2897 -3.2897 -3.1507 -3.1507 -2.0544 -2.0544 -1.7741 -1.7741 -1.4217 -1.4217 -1.0196 -1.0196 0.8840 0.8840 3.7698 3.7698 4.1617 4.1617 4.3156 4.3156 4.5807 4.5807 5.4787 5.4787 5.5733 5.5733 6.0176 6.0176 6.8443 6.8443 7.2789 7.2789 7.3207 7.3207 7.8624 7.8624 k = 0.5000 0.1207-0.3679 ( 2096 PWs) bands (ev): -11.3910 -11.3910 -11.3291 -11.3291 -10.5809 -10.5809 -3.2946 -3.2946 -3.1535 -3.1535 -2.1131 -2.1131 -1.8029 -1.8029 -1.4495 -1.4495 -1.0226 -1.0226 0.8011 0.8011 3.7290 3.7290 4.1207 4.1207 4.3544 4.3544 4.6107 4.6107 5.5262 5.5262 5.6641 5.6641 6.0383 6.0383 6.8603 6.8603 7.3107 7.3107 7.3350 7.3350 7.9088 7.9088 k = 0.5000 0.1287-0.3774 ( 2096 PWs) bands (ev): -11.3567 -11.3567 -11.3389 -11.3389 -10.5689 -10.5689 -3.2989 -3.2989 -3.1551 -3.1551 -2.1737 -2.1737 -1.8315 -1.8315 -1.4766 -1.4766 -1.0262 -1.0262 0.7196 0.7196 3.6891 3.6891 4.0807 4.0807 4.3692 4.3692 4.6585 4.6585 5.5680 5.5680 5.7629 5.7629 6.0587 6.0587 6.8759 6.8759 7.3116 7.3116 7.3864 7.3864 7.9544 7.9544 k = 0.5000 0.1367-0.3870 ( 2088 PWs) bands (ev): -11.3577 -11.3577 -11.3127 -11.3127 -10.5571 -10.5571 -3.3027 -3.3027 -3.1555 -3.1555 -2.2354 -2.2354 -1.8601 -1.8601 -1.5031 -1.5031 -1.0305 -1.0305 0.6396 0.6396 3.6501 3.6501 4.0424 4.0424 4.3637 4.3637 4.7203 4.7203 5.6075 5.6075 5.8655 5.8655 6.0788 6.0788 6.8913 6.8913 7.3189 7.3189 7.4377 7.4377 7.9992 7.9992 k = 0.5000 0.1446-0.3965 ( 2084 PWs) bands (ev): -11.3699 -11.3699 -11.2745 -11.2745 -10.5454 -10.5454 -3.3062 -3.3062 -3.1545 -3.1545 -2.2977 -2.2977 -1.8887 -1.8887 -1.5294 -1.5294 -1.0361 -1.0361 0.5611 0.5611 3.6122 3.6122 4.0056 4.0056 4.3440 4.3440 4.7898 4.7898 5.6458 5.6458 5.9700 5.9700 6.0986 6.0986 6.9065 6.9065 7.3334 7.3334 7.4880 7.4880 8.0430 8.0430 k = 0.5000 0.1526-0.4060 ( 2084 PWs) bands (ev): -11.3824 -11.3824 -11.2353 -11.2353 -10.5338 -10.5338 -3.3095 -3.3095 -3.1520 -3.1520 -2.3599 -2.3599 -1.9178 -1.9178 -1.5554 -1.5554 -1.0430 -1.0430 0.4844 0.4844 3.5754 3.5754 3.9706 3.9706 4.3147 4.3147 4.8630 4.8630 5.6833 5.6833 6.0743 6.0743 6.1197 6.1197 6.9214 6.9214 7.3548 7.3548 7.5371 7.5371 8.0859 8.0859 k = 0.5000 0.1605-0.4155 ( 2084 PWs) bands (ev): -11.3949 -11.3949 -11.1956 -11.1956 -10.5225 -10.5225 -3.3128 -3.3128 -3.1479 -3.1479 -2.4216 -2.4216 -1.9473 -1.9473 -1.5813 -1.5813 -1.0514 -1.0514 0.4097 0.4097 3.5398 3.5398 3.9372 3.9372 4.2782 4.2782 4.9378 4.9378 5.7200 5.7200 6.1326 6.1326 6.1872 6.1872 6.9360 6.9360 7.3828 7.3828 7.5851 7.5851 8.1278 8.1278 k = 0.5000 0.1685-0.4250 ( 2084 PWs) bands (ev): -11.4072 -11.4072 -11.1555 -11.1555 -10.5113 -10.5113 -3.3162 -3.3162 -3.1420 -3.1420 -2.4826 -2.4826 -1.9774 -1.9774 -1.6070 -1.6070 -1.0612 -1.0612 0.3369 0.3369 3.5055 3.5055 3.9054 3.9054 4.2362 4.2362 5.0131 5.0131 5.7560 5.7560 6.1523 6.1523 6.2932 6.2932 6.9505 6.9505 7.4172 7.4172 7.6318 7.6318 8.1687 8.1687 k = 0.5000 0.1764-0.4345 ( 2084 PWs) bands (ev): -11.4193 -11.4193 -11.1152 -11.1152 -10.5003 -10.5003 -3.3199 -3.3199 -3.1342 -3.1342 -2.5424 -2.5424 -2.0081 -2.0081 -1.6324 -1.6324 -1.0726 -1.0726 0.2663 0.2663 3.4725 3.4725 3.8751 3.8751 4.1899 4.1899 5.0881 5.0881 5.7914 5.7914 6.1703 6.1703 6.4005 6.4005 6.9648 6.9648 7.4572 7.4572 7.6772 7.6772 8.2085 8.2085 k = 0.5000 0.1844-0.4440 ( 2084 PWs) bands (ev): -11.4311 -11.4311 -11.0746 -11.0746 -10.4896 -10.4896 -3.3239 -3.3239 -3.1244 -3.1244 -2.6009 -2.6009 -2.0394 -2.0394 -1.6576 -1.6576 -1.0857 -1.0857 0.1979 0.1979 3.4408 3.4408 3.8463 3.8463 4.1402 4.1402 5.1625 5.1625 5.8261 5.8261 6.1876 6.1876 6.5077 6.5077 6.9789 6.9789 7.5024 7.5024 7.7213 7.7213 8.2472 8.2472 k = 0.5000 0.1924-0.4536 ( 2090 PWs) bands (ev): -11.4428 -11.4428 -11.0340 -11.0340 -10.4791 -10.4791 -3.3284 -3.3284 -3.1127 -3.1127 -2.6578 -2.6578 -2.0714 -2.0714 -1.6825 -1.6825 -1.1005 -1.1005 0.1318 0.1318 3.4106 3.4106 3.8189 3.8189 4.0878 4.0878 5.2359 5.2359 5.8601 5.8601 6.2044 6.2044 6.6140 6.6140 6.9928 6.9928 7.5523 7.5523 7.7641 7.7641 8.2848 8.2848 k = 0.5000 0.2003-0.4631 ( 2092 PWs) bands (ev): -11.4541 -11.4541 -10.9935 -10.9935 -10.4689 -10.4689 -3.3334 -3.3334 -3.0992 -3.0992 -2.7127 -2.7127 -2.1040 -2.1040 -1.7069 -1.7069 -1.1171 -1.1171 0.0681 0.0681 3.3817 3.3817 3.7928 3.7928 4.0335 4.0335 5.3083 5.3083 5.8935 5.8935 6.2206 6.2206 6.7196 6.7196 7.0067 7.0067 7.6061 7.6061 7.8056 7.8056 8.3213 8.3213 k = 0.5000 0.2083-0.4726 ( 2094 PWs) bands (ev): -11.4652 -11.4652 -10.9530 -10.9530 -10.4589 -10.4589 -3.3389 -3.3389 -3.0841 -3.0841 -2.7653 -2.7653 -2.1373 -2.1373 -1.7309 -1.7309 -1.1354 -1.1354 0.0069 0.0069 3.3542 3.3542 3.7677 3.7677 3.9780 3.9780 5.3794 5.3794 5.9261 5.9261 6.2363 6.2363 6.8238 6.8238 7.0205 7.0205 7.6634 7.6634 7.8458 7.8458 8.3565 8.3565 k = 0.5000 0.2162-0.4821 ( 2092 PWs) bands (ev): -11.4759 -11.4759 -10.9128 -10.9128 -10.4492 -10.4492 -3.3450 -3.3450 -3.0680 -3.0680 -2.8149 -2.8149 -2.1709 -2.1709 -1.7543 -1.7543 -1.1553 -1.1553 -0.0518 -0.0518 3.3282 3.3282 3.7437 3.7437 3.9220 3.9220 5.4490 5.4490 5.9580 5.9580 6.2514 6.2514 6.9257 6.9257 7.0350 7.0350 7.7234 7.7234 7.8847 7.8847 8.3906 8.3906 k = 0.5000 0.2242-0.4916 ( 2090 PWs) bands (ev): -11.4863 -11.4863 -10.8730 -10.8730 -10.4399 -10.4399 -3.3516 -3.3516 -3.0522 -3.0522 -2.8602 -2.8602 -2.2050 -2.2050 -1.7770 -1.7770 -1.1770 -1.1770 -0.1079 -0.1079 3.3036 3.3036 3.7202 3.7202 3.8663 3.8663 5.5169 5.5169 5.9892 5.9892 6.2659 6.2659 7.0190 7.0190 7.0562 7.0562 7.7857 7.7857 7.9223 7.9223 8.4235 8.4235 k = 0.5000 0.2321-0.5011 ( 2088 PWs) bands (ev): -11.4964 -11.4964 -10.8337 -10.8337 -10.4308 -10.4308 -3.3587 -3.3587 -3.0400 -3.0400 -2.8978 -2.8978 -2.2392 -2.2392 -1.7991 -1.7991 -1.2005 -1.2005 -0.1613 -0.1613 3.2803 3.2803 3.6965 3.6965 3.8121 3.8121 5.5831 5.5831 6.0197 6.0197 6.2799 6.2799 7.0542 7.0542 7.1332 7.1332 7.8495 7.8495 7.9586 7.9586 8.4550 8.4550 k = 0.5000 0.2401-0.5106 ( 2090 PWs) bands (ev): -11.5061 -11.5061 -10.7949 -10.7949 -10.4220 -10.4220 -3.3665 -3.3665 -3.0392 -3.0392 -2.9199 -2.9199 -2.2736 -2.2736 -1.8205 -1.8205 -1.2258 -1.2258 -0.2122 -0.2122 3.2584 3.2584 3.6710 3.6710 3.7614 3.7614 5.6473 5.6473 6.0494 6.0494 6.2933 6.2933 7.0687 7.0687 7.2286 7.2286 7.9142 7.9142 7.9938 7.9938 8.4853 8.4853 k = 0.5000 0.2481-0.5202 ( 2090 PWs) bands (ev): -11.5155 -11.5155 -10.7569 -10.7569 -10.4136 -10.4136 -3.3748 -3.3748 -3.0567 -3.0567 -2.9196 -2.9196 -2.3078 -2.3078 -1.8412 -1.8412 -1.2528 -1.2528 -0.2604 -0.2604 3.2378 3.2378 3.6406 3.6406 3.7176 3.7176 5.7093 5.7093 6.0782 6.0782 6.3060 6.3060 7.0816 7.0816 7.3229 7.3229 7.9787 7.9787 8.0283 8.0283 8.5143 8.5143 k = 0.6503 0.3689 0.1521 ( 2090 PWs) bands (ev): -11.5155 -11.5155 -10.7570 -10.7570 -10.4135 -10.4135 -3.3747 -3.3747 -3.0567 -3.0567 -2.9196 -2.9196 -2.3078 -2.3078 -1.8412 -1.8412 -1.2528 -1.2528 -0.2604 -0.2604 3.2377 3.2377 3.6407 3.6407 3.7176 3.7176 5.7093 5.7093 6.0782 6.0782 6.3061 6.3061 7.0816 7.0816 7.3228 7.3228 7.9788 7.9788 8.0284 8.0284 8.5143 8.5143 k = 0.6428 0.3705 0.1613 ( 2090 PWs) bands (ev): -11.5242 -11.5242 -10.7210 -10.7210 -10.4056 -10.4056 -3.3832 -3.3832 -3.0855 -3.0855 -2.9034 -2.9034 -2.3406 -2.3406 -1.8604 -1.8604 -1.2805 -1.2805 -0.3045 -0.3045 3.2190 3.2190 3.6038 3.6038 3.6850 3.6850 5.7671 5.7671 6.1054 6.1054 6.3179 6.3179 7.0934 7.0934 7.4117 7.4117 8.0374 8.0374 8.0643 8.0644 8.5410 8.5410 k = 0.6353 0.3722 0.1705 ( 2086 PWs) bands (ev): -11.5325 -11.5325 -10.6859 -10.6859 -10.3981 -10.3981 -3.3923 -3.3923 -3.1183 -3.1183 -2.8793 -2.8793 -2.3728 -2.3728 -1.8788 -1.8788 -1.3097 -1.3097 -0.3462 -0.3462 3.2015 3.2015 3.5608 3.5608 3.6611 3.6611 5.8227 5.8227 6.1317 6.1317 6.3291 6.3291 7.1049 7.1049 7.4981 7.4981 8.0797 8.0797 8.1149 8.1149 8.5666 8.5666 k = 0.6277 0.3738 0.1797 ( 2086 PWs) bands (ev): -11.5404 -11.5404 -10.6519 -10.6519 -10.3910 -10.3910 -3.4018 -3.4018 -3.1517 -3.1517 -2.8509 -2.8509 -2.4044 -2.4044 -1.8965 -1.8965 -1.3403 -1.3403 -0.3854 -0.3854 3.1850 3.1850 3.5153 3.5153 3.6423 3.6423 5.8758 5.8758 6.1572 6.1572 6.3397 6.3397 7.1159 7.1159 7.5815 7.5815 8.1104 8.1104 8.1749 8.1749 8.5908 8.5908 k = 0.6202 0.3755 0.1889 ( 2082 PWs) bands (ev): -11.5480 -11.5480 -10.6190 -10.6190 -10.3841 -10.3841 -3.4119 -3.4119 -3.1839 -3.1839 -2.8196 -2.8196 -2.4351 -2.4351 -1.9134 -1.9134 -1.3724 -1.3724 -0.4221 -0.4221 3.1697 3.1697 3.4698 3.4698 3.6265 3.6265 5.9264 5.9264 6.1819 6.1819 6.3497 6.3497 7.1266 7.1266 7.6618 7.6618 8.1378 8.1378 8.2355 8.2355 8.6138 8.6138 k = 0.6127 0.3771 0.1981 ( 2080 PWs) bands (ev): -11.5551 -11.5551 -10.5873 -10.5873 -10.3776 -10.3776 -3.4224 -3.4224 -3.2146 -3.2146 -2.7862 -2.7862 -2.4648 -2.4648 -1.9296 -1.9296 -1.4058 -1.4058 -0.4565 -0.4565 3.1553 3.1553 3.4254 3.4254 3.6127 3.6127 5.9742 5.9742 6.2058 6.2058 6.3591 6.3591 7.1368 7.1368 7.7387 7.7387 8.1634 8.1634 8.2951 8.2951 8.6354 8.6354 k = 0.6052 0.3788 0.2073 ( 2076 PWs) bands (ev): -11.5619 -11.5619 -10.5571 -10.5571 -10.3715 -10.3715 -3.4333 -3.4333 -3.2432 -3.2432 -2.7510 -2.7510 -2.4932 -2.4932 -1.9450 -1.9450 -1.4403 -1.4403 -0.4884 -0.4884 3.1419 3.1419 3.3829 3.3829 3.6004 3.6004 6.0190 6.0190 6.2289 6.2289 6.3679 6.3679 7.1465 7.1465 7.8121 7.8121 8.1874 8.1874 8.3529 8.3529 8.6558 8.6558 k = 0.5977 0.3805 0.2165 ( 2074 PWs) bands (ev): -11.5682 -11.5682 -10.5283 -10.5283 -10.3657 -10.3657 -3.4447 -3.4447 -3.2696 -3.2696 -2.7142 -2.7142 -2.5202 -2.5202 -1.9597 -1.9597 -1.4759 -1.4759 -0.5180 -0.5180 3.1293 3.1293 3.3426 3.3426 3.5893 3.5893 6.0608 6.0608 6.2512 6.2512 6.3761 6.3761 7.1558 7.1558 7.8815 7.8815 8.2098 8.2098 8.4084 8.4084 8.6748 8.6748 k = 0.5902 0.3821 0.2257 ( 2076 PWs) bands (ev): -11.5740 -11.5740 -10.5012 -10.5012 -10.3603 -10.3603 -3.4564 -3.4564 -3.2938 -3.2938 -2.6762 -2.6762 -2.5456 -2.5456 -1.9738 -1.9738 -1.5125 -1.5125 -0.5453 -0.5453 3.1176 3.1176 3.3048 3.3048 3.5794 3.5794 6.0992 6.0992 6.2726 6.2726 6.3837 6.3837 7.1646 7.1646 7.9469 7.9469 8.2307 8.2307 8.4614 8.4614 8.6925 8.6925 k = 0.5827 0.3838 0.2349 ( 2082 PWs) bands (ev): -11.5795 -11.5795 -10.4759 -10.4759 -10.3552 -10.3552 -3.4683 -3.4683 -3.3156 -3.3156 -2.6374 -2.6374 -2.5690 -2.5690 -1.9874 -1.9874 -1.5499 -1.5499 -0.5702 -0.5702 3.1066 3.1066 3.2699 3.2699 3.5704 3.5704 6.1343 6.1343 6.2932 6.2932 6.3907 6.3907 7.1728 7.1728 8.0080 8.0080 8.2501 8.2501 8.5115 8.5115 8.7088 8.7088 k = 0.5751 0.3854 0.2441 ( 2076 PWs) bands (ev): -11.5845 -11.5845 -10.4525 -10.4525 -10.3504 -10.3504 -3.4802 -3.4802 -3.3350 -3.3350 -2.6028 -2.6028 -2.5853 -2.5853 -2.0004 -2.0004 -1.5877 -1.5877 -0.5929 -0.5929 3.0962 3.0962 3.2381 3.2381 3.5623 3.5623 6.1659 6.1659 6.3130 6.3130 6.3971 6.3971 7.1805 7.1805 8.0646 8.0646 8.2680 8.2680 8.5583 8.5583 8.7237 8.7237 k = 0.5676 0.3871 0.2533 ( 2076 PWs) bands (ev): -11.5890 -11.5890 -10.4311 -10.4311 -10.3459 -10.3459 -3.4919 -3.4919 -3.3522 -3.3522 -2.6136 -2.6136 -2.5536 -2.5536 -2.0131 -2.0131 -1.6256 -1.6256 -0.6133 -0.6133 3.0863 3.0863 3.2095 3.2095 3.5552 3.5552 6.1940 6.1940 6.3319 6.3319 6.4029 6.4029 7.1875 7.1875 8.1164 8.1164 8.2844 8.2844 8.6015 8.6015 8.7373 8.7373 k = 0.5601 0.3887 0.2625 ( 2074 PWs) bands (ev): -11.5931 -11.5931 -10.4118 -10.4118 -10.3416 -10.3416 -3.5031 -3.5031 -3.3672 -3.3672 -2.6312 -2.6312 -2.5124 -2.5124 -2.0257 -2.0257 -1.6633 -1.6633 -0.6315 -0.6315 3.0768 3.0768 3.1845 3.1845 3.5489 3.5489 6.2185 6.2185 6.3497 6.3498 6.4080 6.4080 7.1939 7.1939 8.1631 8.1631 8.2995 8.2995 8.6409 8.6409 8.7494 8.7494 k = 0.5526 0.3904 0.2718 ( 2070 PWs) bands (ev): -11.5967 -11.5967 -10.3949 -10.3949 -10.3375 -10.3375 -3.5137 -3.5137 -3.3801 -3.3801 -2.6471 -2.6471 -2.4703 -2.4703 -2.0385 -2.0385 -1.7002 -1.7002 -0.6475 -0.6475 3.0676 3.0676 3.1630 3.1630 3.5433 3.5433 6.2395 6.2395 6.3663 6.3663 6.4126 6.4126 7.1997 7.1997 8.2044 8.2044 8.3131 8.3131 8.6763 8.6763 8.7602 8.7602 k = 0.5451 0.3920 0.2810 ( 2074 PWs) bands (ev): -11.5998 -11.5998 -10.3805 -10.3805 -10.3336 -10.3336 -3.5234 -3.5234 -3.3912 -3.3912 -2.6612 -2.6612 -2.4280 -2.4280 -2.0521 -2.0521 -1.7356 -1.7356 -0.6613 -0.6613 3.0588 3.0588 3.1452 3.1452 3.5386 3.5386 6.2572 6.2572 6.3814 6.3814 6.4165 6.4165 7.2047 7.2047 8.2399 8.2399 8.3256 8.3256 8.7074 8.7074 8.7695 8.7695 k = 0.5376 0.3937 0.2902 ( 2074 PWs) bands (ev): -11.6025 -11.6025 -10.3688 -10.3688 -10.3296 -10.3296 -3.5319 -3.5319 -3.4004 -3.4004 -2.6731 -2.6731 -2.3857 -2.3857 -2.0670 -2.0670 -1.7686 -1.7686 -0.6730 -0.6730 3.0504 3.0504 3.1310 3.1310 3.5346 3.5346 6.2718 6.2718 6.3947 6.3947 6.4198 6.4198 7.2090 7.2090 8.2695 8.2695 8.3370 8.3370 8.7340 8.7340 8.7775 8.7775 k = 0.5301 0.3953 0.2994 ( 2078 PWs) bands (ev): -11.6047 -11.6047 -10.3598 -10.3598 -10.3257 -10.3257 -3.5392 -3.5392 -3.4079 -3.4079 -2.6829 -2.6829 -2.3439 -2.3439 -2.0840 -2.0840 -1.7980 -1.7980 -0.6825 -0.6825 3.0427 3.0427 3.1201 3.1201 3.5314 3.5314 6.2834 6.2834 6.4060 6.4060 6.4226 6.4226 7.2125 7.2125 8.2927 8.2927 8.3475 8.3475 8.7561 8.7561 8.7840 8.7840 k = 0.5225 0.3970 0.3086 ( 2082 PWs) bands (ev): -11.6064 -11.6064 -10.3534 -10.3534 -10.3220 -10.3220 -3.5450 -3.5450 -3.4137 -3.4137 -2.6906 -2.6906 -2.3030 -2.3030 -2.1038 -2.1038 -1.8227 -1.8227 -0.6899 -0.6899 3.0362 3.0362 3.1121 3.1121 3.5288 3.5288 6.2923 6.2923 6.4150 6.4150 6.4247 6.4247 7.2153 7.2153 8.3094 8.3094 8.3571 8.3571 8.7733 8.7733 8.7890 8.7890 k = 0.5150 0.3986 0.3178 ( 2084 PWs) bands (ev): -11.6076 -11.6076 -10.3492 -10.3492 -10.3190 -10.3190 -3.5492 -3.5492 -3.4178 -3.4178 -2.6960 -2.6960 -2.2637 -2.2637 -2.1271 -2.1271 -1.8413 -1.8413 -0.6951 -0.6951 3.0313 3.0313 3.1068 3.1068 3.5270 3.5270 6.2985 6.2985 6.4216 6.4216 6.4262 6.4262 7.2172 7.2172 8.3203 8.3203 8.3650 8.3650 8.7857 8.7857 8.7927 8.7927 k = 0.5075 0.4003 0.3270 ( 2088 PWs) bands (ev): -11.6083 -11.6083 -10.3469 -10.3469 -10.3169 -10.3169 -3.5518 -3.5518 -3.4203 -3.4203 -2.6993 -2.6993 -2.2274 -2.2274 -2.1535 -2.1535 -1.8529 -1.8529 -0.6983 -0.6983 3.0281 3.0281 3.1036 3.1036 3.5260 3.5260 6.3022 6.3022 6.4256 6.4256 6.4271 6.4271 7.2184 7.2184 8.3264 8.3264 8.3704 8.3704 8.7931 8.7931 8.7949 8.7949 k = 0.5000 0.4019 0.3362 ( 2082 PWs) bands (ev): -11.6086 -11.6086 -10.3462 -10.3462 -10.3162 -10.3162 -3.5526 -3.5526 -3.4210 -3.4210 -2.7004 -2.7004 -2.2042 -2.2042 -2.1732 -2.1732 -1.8568 -1.8568 -0.6993 -0.6993 3.0271 3.0271 3.1026 3.1026 3.5256 3.5256 6.3034 6.3034 6.4269 6.4269 6.4275 6.4275 7.2188 7.2188 8.3284 8.3284 8.3724 8.3724 8.7952 8.7952 8.7960 8.7960 k = 0.5000 0.4019 0.3362 ( 2082 PWs) bands (ev): -11.6086 -11.6086 -10.3462 -10.3462 -10.3162 -10.3162 -3.5526 -3.5526 -3.4210 -3.4210 -2.7004 -2.7004 -2.2042 -2.2042 -2.1732 -2.1732 -1.8568 -1.8568 -0.6993 -0.6993 3.0271 3.0271 3.1026 3.1026 3.5256 3.5256 6.3034 6.3034 6.4269 6.4269 6.4275 6.4275 7.2188 7.2188 8.3284 8.3284 8.3724 8.3724 8.7952 8.7952 8.7960 8.7960 k = 0.4915 0.3951 0.3305 ( 2088 PWs) bands (ev): -11.6093 -11.6093 -10.3467 -10.3467 -10.3167 -10.3167 -3.5510 -3.5510 -3.4194 -3.4194 -2.6999 -2.6999 -2.2041 -2.2041 -2.1727 -2.1727 -1.8562 -1.8562 -0.6972 -0.6972 3.0268 3.0268 3.1023 3.1023 3.5259 3.5259 6.3032 6.3032 6.4259 6.4259 6.4266 6.4266 7.2173 7.2173 8.3255 8.3255 8.3695 8.3695 8.7950 8.7950 8.7959 8.7959 k = 0.4831 0.3883 0.3248 ( 2076 PWs) bands (ev): -11.6117 -11.6117 -10.3483 -10.3483 -10.3184 -10.3184 -3.5461 -3.5461 -3.4141 -3.4141 -2.6981 -2.6981 -2.2036 -2.2036 -2.1710 -2.1710 -1.8543 -1.8543 -0.6909 -0.6909 3.0261 3.0261 3.1014 3.1014 3.5268 3.5268 6.3025 6.3025 6.4231 6.4231 6.4238 6.4238 7.2127 7.2127 8.3173 8.3173 8.3616 8.3616 8.7945 8.7945 8.7954 8.7954 k = 0.4746 0.3815 0.3191 ( 2076 PWs) bands (ev): -11.6156 -11.6156 -10.3509 -10.3509 -10.3211 -10.3211 -3.5381 -3.5381 -3.4054 -3.4054 -2.6955 -2.6955 -2.2026 -2.2026 -2.1683 -2.1683 -1.8513 -1.8513 -0.6805 -0.6805 3.0249 3.0249 3.0997 3.0997 3.5282 3.5282 6.3014 6.3014 6.4183 6.4183 6.4190 6.4190 7.2051 7.2051 8.3034 8.3034 8.3481 8.3481 8.7936 8.7936 8.7945 8.7945 k = 0.4661 0.3747 0.3134 ( 2082 PWs) bands (ev): -11.6210 -11.6210 -10.3545 -10.3545 -10.3249 -10.3249 -3.5269 -3.5269 -3.3934 -3.3934 -2.6920 -2.6920 -2.2012 -2.2012 -2.1647 -2.1647 -1.8471 -1.8471 -0.6660 -0.6660 3.0232 3.0232 3.0974 3.0974 3.5301 3.5301 6.2997 6.2997 6.4116 6.4116 6.4123 6.4123 7.1945 7.1945 8.2841 8.2841 8.3294 8.3294 8.7923 8.7923 8.7934 8.7934 k = 0.4576 0.3679 0.3077 ( 2082 PWs) bands (ev): -11.6279 -11.6279 -10.3592 -10.3592 -10.3297 -10.3297 -3.5125 -3.5125 -3.3779 -3.3779 -2.6875 -2.6875 -2.1991 -2.1991 -2.1599 -2.1599 -1.8417 -1.8417 -0.6476 -0.6476 3.0210 3.0210 3.0944 3.0944 3.5327 3.5327 6.2977 6.2977 6.4030 6.4030 6.4037 6.4037 7.1810 7.1810 8.2596 8.2596 8.3055 8.3055 8.7907 8.7907 8.7919 8.7919 k = 0.4492 0.3611 0.3020 ( 2082 PWs) bands (ev): -11.6363 -11.6363 -10.3648 -10.3648 -10.3356 -10.3356 -3.4951 -3.4951 -3.3591 -3.3591 -2.6822 -2.6822 -2.1961 -2.1961 -2.1541 -2.1541 -1.8352 -1.8352 -0.6253 -0.6253 3.0184 3.0184 3.0908 3.0908 3.5359 3.5359 6.2951 6.2951 6.3925 6.3925 6.3933 6.3933 7.1646 7.1646 8.2299 8.2299 8.2766 8.2766 8.7887 8.7887 8.7902 8.7902 k = 0.4407 0.3543 0.2963 ( 2082 PWs) bands (ev): -11.6461 -11.6461 -10.3714 -10.3714 -10.3424 -10.3424 -3.4746 -3.4746 -3.3369 -3.3369 -2.6762 -2.6762 -2.1921 -2.1921 -2.1473 -2.1473 -1.8274 -1.8274 -0.5994 -0.5994 3.0152 3.0152 3.0864 3.0864 3.5396 3.5396 6.2922 6.2922 6.3801 6.3801 6.3809 6.3809 7.1456 7.1456 8.1953 8.1953 8.2429 8.2429 8.7866 8.7866 8.7882 8.7882 k = 0.4322 0.3474 0.2906 ( 2082 PWs) bands (ev): -11.6573 -11.6573 -10.3790 -10.3790 -10.3503 -10.3503 -3.4510 -3.4510 -3.3114 -3.3114 -2.6697 -2.6697 -2.1869 -2.1869 -2.1395 -2.1395 -1.8185 -1.8185 -0.5701 -0.5701 3.0115 3.0115 3.0814 3.0814 3.5440 3.5440 6.2887 6.2887 6.3657 6.3657 6.3667 6.3667 7.1240 7.1240 8.1560 8.1560 8.2046 8.2046 8.7841 8.7841 8.7860 8.7860 k = 0.4237 0.3406 0.2849 ( 2088 PWs) bands (ev): -11.6699 -11.6699 -10.3874 -10.3874 -10.3590 -10.3590 -3.4247 -3.4247 -3.2828 -3.2828 -2.6627 -2.6627 -2.1802 -2.1802 -2.1306 -2.1306 -1.8085 -1.8085 -0.5374 -0.5374 3.0072 3.0072 3.0757 3.0757 3.5489 3.5489 6.2847 6.2847 6.3494 6.3494 6.3506 6.3506 7.0999 7.0999 8.1121 8.1121 8.1618 8.1618 8.7814 8.7814 8.7835 8.7835 k = 0.4153 0.3338 0.2792 ( 2093 PWs) bands (ev): -11.6838 -11.6838 -10.3967 -10.3967 -10.3687 -10.3687 -3.3955 -3.3955 -3.2509 -3.2509 -2.6556 -2.6556 -2.1718 -2.1718 -2.1207 -2.1207 -1.7973 -1.7973 -0.5018 -0.5018 3.0025 3.0025 3.0692 3.0692 3.5545 3.5545 6.2802 6.2802 6.3311 6.3311 6.3328 6.3328 7.0736 7.0736 8.0641 8.0641 8.1149 8.1149 8.7786 8.7786 8.7809 8.7809 k = 0.4068 0.3270 0.2735 ( 2093 PWs) bands (ev): -11.6989 -11.6989 -10.4068 -10.4068 -10.3792 -10.3792 -3.3635 -3.3635 -3.2159 -3.2159 -2.6481 -2.6481 -2.1616 -2.1616 -2.1098 -2.1098 -1.7850 -1.7850 -0.4633 -0.4633 2.9972 2.9972 3.0620 3.0620 3.5607 3.5607 6.2749 6.2749 6.3109 6.3109 6.3134 6.3134 7.0452 7.0452 8.0123 8.0123 8.0642 8.0642 8.7755 8.7755 8.7781 8.7781 k = 0.3983 0.3202 0.2678 ( 2093 PWs) bands (ev): -11.7152 -11.7152 -10.4177 -10.4177 -10.3905 -10.3905 -3.3288 -3.3288 -3.1779 -3.1779 -2.6406 -2.6406 -2.1494 -2.1494 -2.0979 -2.0979 -1.7715 -1.7715 -0.4221 -0.4221 2.9914 2.9914 3.0541 3.0541 3.5675 3.5675 6.2678 6.2678 6.2887 6.2887 6.2933 6.2933 7.0148 7.0148 7.9569 7.9569 8.0100 8.0100 8.7723 8.7723 8.7752 8.7752 k = 0.3898 0.3134 0.2621 ( 2087 PWs) bands (ev): -11.7326 -11.7326 -10.4294 -10.4294 -10.4026 -10.4026 -3.2916 -3.2916 -3.1368 -3.1368 -2.6329 -2.6329 -2.1349 -2.1349 -2.0849 -2.0849 -1.7569 -1.7569 -0.3785 -0.3785 2.9850 2.9850 3.0455 3.0455 3.5750 3.5750 6.2554 6.2554 6.2645 6.2645 6.2762 6.2762 6.9828 6.9828 7.8983 7.8983 7.9525 7.9525 8.7690 8.7690 8.7722 8.7722 k = 0.3814 0.3066 0.2564 ( 2087 PWs) bands (ev): -11.7511 -11.7511 -10.4417 -10.4417 -10.4154 -10.4154 -3.2522 -3.2522 -3.0929 -3.0929 -2.6252 -2.6252 -2.1183 -2.1183 -2.0710 -2.0710 -1.7413 -1.7413 -0.3328 -0.3328 2.9781 2.9781 3.0360 3.0360 3.5831 3.5831 6.2337 6.2337 6.2382 6.2382 6.2659 6.2659 6.9492 6.9492 7.8369 7.8369 7.8922 7.8922 8.7655 8.7655 8.7690 8.7690 k = 0.3729 0.2998 0.2507 ( 2102 PWs) bands (ev): -11.7705 -11.7705 -10.4546 -10.4546 -10.4288 -10.4288 -3.2106 -3.2106 -3.0463 -3.0463 -2.6173 -2.6173 -2.0995 -2.0995 -2.0563 -2.0563 -1.7248 -1.7248 -0.2851 -0.2851 2.9704 2.9704 3.0257 3.0257 3.5919 3.5919 6.2067 6.2067 6.2098 6.2098 6.2585 6.2585 6.9144 6.9144 7.7729 7.7729 7.8292 7.8292 8.7620 8.7620 8.7658 8.7658 k = 0.3644 0.2929 0.2450 ( 2099 PWs) bands (ev): -11.7908 -11.7908 -10.4681 -10.4681 -10.4429 -10.4429 -3.1670 -3.1670 -2.9969 -2.9969 -2.6091 -2.6091 -2.0784 -2.0784 -2.0405 -2.0405 -1.7071 -1.7071 -0.2357 -0.2357 2.9623 2.9623 3.0147 3.0147 3.6013 3.6013 6.1767 6.1767 6.1793 6.1793 6.2516 6.2516 6.8786 6.8786 7.7069 7.7069 7.7641 7.7641 8.7584 8.7584 8.7625 8.7625 k = 0.3559 0.2861 0.2393 ( 2099 PWs) bands (ev): -11.8119 -11.8119 -10.4822 -10.4822 -10.4575 -10.4575 -3.1217 -3.1217 -2.9449 -2.9449 -2.6003 -2.6003 -2.0551 -2.0551 -2.0236 -2.0236 -1.6883 -1.6883 -0.1848 -0.1848 2.9535 2.9535 3.0028 3.0028 3.6113 3.6113 6.1440 6.1440 6.1465 6.1465 6.2448 6.2448 6.8420 6.8420 7.6392 7.6392 7.6971 7.6971 8.7548 8.7548 8.7591 8.7591 k = 0.3475 0.2793 0.2336 ( 2099 PWs) bands (ev): -11.8338 -11.8338 -10.4967 -10.4967 -10.4726 -10.4726 -3.0752 -3.0752 -2.8905 -2.8905 -2.5908 -2.5908 -2.0297 -2.0297 -2.0057 -2.0057 -1.6686 -1.6686 -0.1326 -0.1326 2.9440 2.9440 2.9901 2.9901 3.6220 3.6220 6.1089 6.1089 6.1115 6.1115 6.2379 6.2379 6.8048 6.8048 7.5701 7.5701 7.6286 7.6286 8.7511 8.7511 8.7558 8.7558 k = 0.3390 0.2725 0.2279 ( 2099 PWs) bands (ev): -11.8564 -11.8564 -10.5117 -10.5117 -10.4881 -10.4881 -3.0277 -3.0277 -2.8337 -2.8337 -2.5799 -2.5799 -2.0023 -2.0023 -1.9867 -1.9867 -1.6479 -1.6479 -0.0793 -0.0793 2.9339 2.9339 2.9766 2.9766 3.6335 3.6335 6.0712 6.0712 6.0741 6.0741 6.2308 6.2308 6.7674 6.7674 7.5002 7.5002 7.5591 7.5591 8.7474 8.7474 8.7524 8.7524 k = 0.3305 0.2657 0.2222 ( 2099 PWs) bands (ev): -11.8796 -11.8796 -10.5270 -10.5270 -10.5040 -10.5040 -2.9799 -2.9799 -2.7747 -2.7747 -2.5674 -2.5674 -1.9730 -1.9730 -1.9667 -1.9667 -1.6262 -1.6262 -0.0254 -0.0254 2.9231 2.9231 2.9621 2.9621 3.6455 3.6455 6.0310 6.0310 6.0343 6.0343 6.2235 6.2235 6.7300 6.7300 7.4298 7.4298 7.4889 7.4889 8.7438 8.7438 8.7491 8.7491 k = 0.3220 0.2589 0.2165 ( 2093 PWs) bands (ev): -11.9032 -11.9032 -10.5426 -10.5426 -10.5202 -10.5202 -2.9326 -2.9326 -2.7137 -2.7137 -2.5525 -2.5525 -1.9455 -1.9455 -1.9419 -1.9419 -1.6035 -1.6035 0.0292 0.0292 2.9116 2.9116 2.9468 2.9468 3.6581 3.6581 5.9880 5.9880 5.9920 5.9920 6.2160 6.2160 6.6928 6.6928 7.3594 7.3594 7.4184 7.4184 8.7402 8.7402 8.7459 8.7459 k = 0.3136 0.2521 0.2108 ( 2093 PWs) bands (ev): -11.9273 -11.9273 -10.5585 -10.5585 -10.5367 -10.5367 -2.8867 -2.8867 -2.6509 -2.6509 -2.5342 -2.5342 -1.9231 -1.9231 -1.9092 -1.9092 -1.5799 -1.5799 0.0840 0.0840 2.8993 2.8993 2.9305 2.9305 3.6715 3.6715 5.9423 5.9423 5.9471 5.9471 6.2084 6.2084 6.6562 6.6562 7.2894 7.2894 7.3481 7.3481 8.7367 8.7367 8.7426 8.7426 k = 0.3051 0.2453 0.2051 ( 2087 PWs) bands (ev): -11.9518 -11.9518 -10.5746 -10.5746 -10.5534 -10.5534 -2.8431 -2.8431 -2.5864 -2.5864 -2.5117 -2.5117 -1.8994 -1.8994 -1.8748 -1.8748 -1.5554 -1.5554 0.1389 0.1389 2.8862 2.8862 2.9133 2.9133 3.6854 3.6854 5.8938 5.8938 5.8996 5.8996 6.2007 6.2007 6.6204 6.6204 7.2201 7.2201 7.2782 7.2782 8.7333 8.7333 8.7395 8.7395 k = 0.2966 0.2384 0.1994 ( 2081 PWs) bands (ev): -11.9765 -11.9765 -10.5909 -10.5909 -10.5703 -10.5703 -2.8033 -2.8033 -2.5206 -2.5206 -2.4837 -2.4837 -1.8742 -1.8742 -1.8391 -1.8391 -1.5299 -1.5299 0.1936 0.1936 2.8723 2.8723 2.8951 2.8951 3.6999 3.6999 5.8424 5.8424 5.8493 5.8493 6.1928 6.1928 6.5857 6.5857 7.1521 7.1521 7.2093 7.2093 8.7299 8.7299 8.7365 8.7365 k = 0.2881 0.2316 0.1937 ( 2087 PWs) bands (ev): -12.0014 -12.0014 -10.6072 -10.6072 -10.5873 -10.5873 -2.7681 -2.7681 -2.4540 -2.4540 -2.4497 -2.4497 -1.8475 -1.8475 -1.8020 -1.8020 -1.5036 -1.5036 0.2478 0.2478 2.8576 2.8576 2.8759 2.8759 3.7151 3.7151 5.7879 5.7879 5.7961 5.7961 6.1848 6.1848 6.5524 6.5524 7.0854 7.0854 7.1415 7.1415 8.7267 8.7267 8.7336 8.7336 k = 0.2797 0.2248 0.1880 ( 2087 PWs) bands (ev): -12.0265 -12.0265 -10.6236 -10.6236 -10.6043 -10.6043 -2.7378 -2.7378 -2.4093 -2.4093 -2.3868 -2.3868 -1.8187 -1.8187 -1.7636 -1.7636 -1.4763 -1.4763 0.3014 0.3014 2.8419 2.8419 2.8556 2.8556 3.7309 3.7309 5.7304 5.7304 5.7401 5.7401 6.1767 6.1767 6.5206 6.5206 7.0205 7.0205 7.0752 7.0752 8.7237 8.7237 8.7309 8.7309 k = 0.2712 0.2180 0.1823 ( 2087 PWs) bands (ev): -12.0516 -12.0516 -10.6401 -10.6401 -10.6213 -10.6213 -2.7122 -2.7122 -2.3631 -2.3631 -2.3196 -2.3196 -1.7875 -1.7875 -1.7239 -1.7239 -1.4479 -1.4479 0.3540 0.3540 2.8252 2.8252 2.8342 2.8342 3.7472 3.7472 5.6699 5.6699 5.6812 5.6812 6.1686 6.1686 6.4907 6.4907 6.9578 6.9578 7.0107 7.0107 8.7208 8.7208 8.7283 8.7283 k = 0.2627 0.2112 0.1766 ( 2087 PWs) bands (ev): -12.0767 -12.0767 -10.6565 -10.6565 -10.6383 -10.6383 -2.6906 -2.6906 -2.3119 -2.3119 -2.2530 -2.2530 -1.7535 -1.7535 -1.6832 -1.6832 -1.4185 -1.4185 0.4054 0.4054 2.8076 2.8076 2.8117 2.8117 3.7642 3.7642 5.6065 5.6065 5.6195 5.6195 6.1604 6.1604 6.4629 6.4629 6.8973 6.8973 6.9484 6.9484 8.7180 8.7180 8.7258 8.7258 k = 0.2542 0.2044 0.1709 ( 2087 PWs) bands (ev): -12.1017 -12.1017 -10.6728 -10.6728 -10.6553 -10.6553 -2.6721 -2.6721 -2.2570 -2.2570 -2.1877 -2.1877 -1.7160 -1.7160 -1.6414 -1.6414 -1.3878 -1.3878 0.4554 0.4554 2.7880 2.7880 2.7889 2.7889 3.7817 3.7817 5.5403 5.5403 5.5552 5.5552 6.1522 6.1522 6.4374 6.4374 6.8394 6.8394 6.8883 6.8883 8.7155 8.7155 8.7235 8.7235 k = 0.2458 0.1976 0.1652 ( 2090 PWs) bands (ev): -12.1265 -12.1265 -10.6890 -10.6890 -10.6720 -10.6720 -2.6559 -2.6559 -2.1995 -2.1995 -2.1248 -2.1248 -1.6742 -1.6742 -1.5987 -1.5987 -1.3558 -1.3558 0.5036 0.5036 2.7631 2.7631 2.7690 2.7690 3.7998 3.7998 5.4715 5.4715 5.4882 5.4882 6.1440 6.1440 6.4144 6.4144 6.7840 6.7840 6.8307 6.8307 8.7131 8.7131 8.7215 8.7215 k = 0.2373 0.1908 0.1595 ( 2078 PWs) bands (ev): -12.1512 -12.1512 -10.7050 -10.7050 -10.6886 -10.6886 -2.6413 -2.6413 -2.1403 -2.1403 -2.0649 -2.0649 -1.6274 -1.6274 -1.5551 -1.5551 -1.3221 -1.3221 0.5500 0.5500 2.7369 2.7369 2.7479 2.7479 3.8185 3.8185 5.4003 5.4003 5.4189 5.4189 6.1359 6.1359 6.3941 6.3941 6.7314 6.7314 6.7757 6.7757 8.7109 8.7109 8.7196 8.7196 k = 0.2288 0.1839 0.1538 ( 2075 PWs) bands (ev): -12.1755 -12.1755 -10.7208 -10.7208 -10.7050 -10.7050 -2.6278 -2.6278 -2.0804 -2.0804 -2.0091 -2.0091 -1.5749 -1.5749 -1.5111 -1.5111 -1.2865 -1.2865 0.5942 0.5942 2.7094 2.7094 2.7255 2.7255 3.8377 3.8377 5.3270 5.3270 5.3474 5.3474 6.1278 6.1278 6.3766 6.3766 6.6814 6.6814 6.7233 6.7233 8.7089 8.7089 8.7179 8.7179 k = 0.2203 0.1771 0.1481 ( 2075 PWs) bands (ev): -12.1994 -12.1994 -10.7363 -10.7363 -10.7211 -10.7211 -2.6152 -2.6152 -2.0206 -2.0206 -1.9579 -1.9579 -1.5164 -1.5164 -1.4670 -1.4670 -1.2483 -1.2483 0.6361 0.6361 2.6805 2.6805 2.7017 2.7017 3.8574 3.8574 5.2519 5.2519 5.2741 5.2741 6.1197 6.1197 6.3621 6.3621 6.6341 6.6341 6.6735 6.6735 8.7072 8.7072 8.7164 8.7164 k = 0.2119 0.1703 0.1424 ( 2069 PWs) bands (ev): -12.2230 -12.2230 -10.7516 -10.7516 -10.7370 -10.7370 -2.6031 -2.6031 -1.9614 -1.9614 -1.9113 -1.9113 -1.4518 -1.4518 -1.4232 -1.4232 -1.2071 -1.2071 0.6755 0.6755 2.6500 2.6500 2.6764 2.6764 3.8776 3.8776 5.1753 5.1753 5.1993 5.1993 6.1118 6.1118 6.3507 6.3507 6.5895 6.5895 6.6264 6.6264 8.7056 8.7056 8.7151 8.7151 k = 0.2034 0.1635 0.1367 ( 2078 PWs) bands (ev): -12.2461 -12.2461 -10.7665 -10.7665 -10.7525 -10.7525 -2.5915 -2.5915 -1.9037 -1.9037 -1.8694 -1.8694 -1.3815 -1.3815 -1.3803 -1.3803 -1.1622 -1.1622 0.7122 0.7122 2.6180 2.6180 2.6494 2.6494 3.8982 3.8982 5.0976 5.0976 5.1233 5.1233 6.1040 6.1040 6.3423 6.3423 6.5474 6.5474 6.5818 6.5818 8.7043 8.7043 8.7140 8.7140 k = 0.1949 0.1567 0.1310 ( 2078 PWs) bands (ev): -12.2686 -12.2686 -10.7811 -10.7811 -10.7676 -10.7676 -2.5801 -2.5801 -1.8476 -1.8476 -1.8314 -1.8314 -1.3388 -1.3388 -1.3060 -1.3060 -1.1128 -1.1128 0.7461 0.7461 2.5844 2.5844 2.6208 2.6208 3.9193 3.9193 5.0193 5.0193 5.0466 5.0466 6.0963 6.0963 6.3370 6.3370 6.5077 6.5077 6.5398 6.5398 8.7032 8.7032 8.7131 8.7131 k = 0.1864 0.1499 0.1253 ( 2078 PWs) bands (ev): -12.2906 -12.2906 -10.7953 -10.7953 -10.7823 -10.7823 -2.5689 -2.5689 -1.7970 -1.7970 -1.7936 -1.7936 -1.2991 -1.2991 -1.2262 -1.2262 -1.0587 -1.0587 0.7771 0.7771 2.5490 2.5490 2.5903 2.5903 3.9408 3.9408 4.9408 4.9408 4.9695 4.9695 6.0888 6.0888 6.3348 6.3348 6.4705 6.4705 6.5002 6.5002 8.7022 8.7022 8.7124 8.7124 k = 0.1780 0.1431 0.1196 ( 2078 PWs) bands (ev): -12.3120 -12.3120 -10.8090 -10.8090 -10.7965 -10.7965 -2.5578 -2.5578 -1.7655 -1.7655 -1.7421 -1.7421 -1.2616 -1.2616 -1.1426 -1.1426 -0.9996 -0.9996 0.8052 0.8052 2.5117 2.5117 2.5578 2.5578 3.9627 3.9627 4.8625 4.8625 4.8926 4.8926 6.0814 6.0814 6.3355 6.3355 6.4357 6.4357 6.4630 6.4630 8.7015 8.7015 8.7118 8.7118 k = 0.1695 0.1363 0.1140 ( 2084 PWs) bands (ev): -12.3327 -12.3327 -10.8224 -10.8224 -10.8104 -10.8104 -2.5470 -2.5470 -1.7366 -1.7366 -1.6932 -1.6932 -1.2262 -1.2262 -1.0561 -1.0561 -0.9358 -0.9358 0.8302 0.8302 2.4726 2.4726 2.5232 2.5232 3.9848 3.9848 4.7848 4.7848 4.8162 4.8162 6.0743 6.0743 6.3390 6.3390 6.4032 6.4032 6.4281 6.4281 8.7009 8.7009 8.7115 8.7115 k = 0.1610 0.1294 0.1083 ( 2084 PWs) bands (ev): -12.3526 -12.3526 -10.8352 -10.8352 -10.8236 -10.8236 -2.5363 -2.5363 -1.7098 -1.7098 -1.6470 -1.6470 -1.1927 -1.1927 -0.9670 -0.9670 -0.8674 -0.8674 0.8523 0.8523 2.4314 2.4314 2.4864 2.4864 4.0071 4.0071 4.7082 4.7082 4.7409 4.7409 6.0674 6.0674 6.3441 6.3441 6.3738 6.3738 6.3954 6.3954 8.7006 8.7006 8.7113 8.7113 k = 0.1525 0.1226 0.1026 ( 2066 PWs) bands (ev): -12.3718 -12.3718 -10.8475 -10.8475 -10.8364 -10.8364 -2.5257 -2.5257 -1.6846 -1.6846 -1.6032 -1.6032 -1.1610 -1.1610 -0.8757 -0.8757 -0.7949 -0.7949 0.8714 0.8714 2.3881 2.3881 2.4472 2.4472 4.0295 4.0295 4.6333 4.6333 4.6670 4.6670 6.0607 6.0607 6.3386 6.3386 6.3598 6.3598 6.3648 6.3648 8.7004 8.7004 8.7113 8.7113 k = 0.1441 0.1158 0.0969 ( 2066 PWs) bands (ev): -12.3901 -12.3901 -10.8593 -10.8593 -10.8486 -10.8486 -2.5154 -2.5154 -1.6613 -1.6613 -1.5623 -1.5623 -1.1310 -1.1310 -0.7830 -0.7830 -0.7191 -0.7191 0.8877 0.8877 2.3427 2.3427 2.4055 2.4055 4.0519 4.0519 4.5601 4.5601 4.5950 4.5950 6.0543 6.0543 6.3143 6.3143 6.3362 6.3362 6.3687 6.3687 8.7003 8.7003 8.7114 8.7114 k = 0.1356 0.1090 0.0912 ( 2066 PWs) bands (ev): -12.4077 -12.4077 -10.8705 -10.8705 -10.8603 -10.8603 -2.5053 -2.5053 -1.6395 -1.6395 -1.5241 -1.5241 -1.1026 -1.1026 -0.6892 -0.6892 -0.6404 -0.6404 0.9013 0.9013 2.2950 2.2950 2.3612 2.3612 4.0742 4.0742 4.4894 4.4894 4.5253 4.5253 6.0481 6.0481 6.2898 6.2898 6.3096 6.3096 6.3818 6.3818 8.7004 8.7004 8.7116 8.7116 k = 0.1271 0.1022 0.0855 ( 2072 PWs) bands (ev): -12.4243 -12.4243 -10.8812 -10.8812 -10.8713 -10.8713 -2.4956 -2.4956 -1.6191 -1.6191 -1.4884 -1.4884 -1.0758 -1.0758 -0.5945 -0.5945 -0.5593 -0.5593 0.9123 0.9123 2.2451 2.2451 2.3143 2.3143 4.0962 4.0962 4.4213 4.4213 4.4583 4.4583 6.0423 6.0423 6.2667 6.2667 6.2848 6.2848 6.3971 6.3971 8.7006 8.7006 8.7119 8.7119 k = 0.1186 0.0954 0.0798 ( 2069 PWs) bands (ev): -12.4401 -12.4401 -10.8913 -10.8913 -10.8817 -10.8817 -2.4861 -2.4861 -1.6000 -1.6000 -1.4551 -1.4551 -1.0502 -1.0502 -0.4992 -0.4992 -0.4764 -0.4764 0.9210 0.9210 2.1929 2.1929 2.2646 2.2646 4.1176 4.1176 4.3565 4.3565 4.3944 4.3944 6.0367 6.0367 6.2452 6.2452 6.2619 6.2619 6.4139 6.4139 8.7009 8.7009 8.7124 8.7124 k = 0.1102 0.0886 0.0741 ( 2069 PWs) bands (ev): -12.4548 -12.4548 -10.9007 -10.9007 -10.8915 -10.8915 -2.4770 -2.4770 -1.5822 -1.5822 -1.4242 -1.4242 -1.0262 -1.0262 -0.4037 -0.4037 -0.3921 -0.3921 0.9275 0.9275 2.1385 2.1385 2.2124 2.2124 4.1381 4.1381 4.2954 4.2954 4.3340 4.3340 6.0315 6.0315 6.2253 6.2253 6.2407 6.2407 6.4320 6.4320 8.7012 8.7012 8.7129 8.7129 k = 0.1017 0.0818 0.0684 ( 2063 PWs) bands (ev): -12.4686 -12.4686 -10.9095 -10.9095 -10.9007 -10.9007 -2.4684 -2.4684 -1.5655 -1.5655 -1.3956 -1.3956 -1.0034 -1.0034 -0.3084 -0.3084 -0.3068 -0.3068 0.9320 0.9320 2.0822 2.0822 2.1575 2.1575 4.1567 4.1567 4.2393 4.2393 4.2773 4.2773 6.0266 6.0266 6.2070 6.2070 6.2213 6.2213 6.4508 6.4508 8.7017 8.7017 8.7134 8.7134 k = 0.0932 0.0749 0.0627 ( 2066 PWs) bands (ev): -12.4814 -12.4814 -10.9177 -10.9177 -10.9091 -10.9091 -2.4602 -2.4602 -1.5503 -1.5503 -1.3695 -1.3695 -0.9823 -0.9823 -0.2214 -0.2214 -0.2137 -0.2137 0.9348 0.9348 2.0239 2.0239 2.1004 2.1004 4.1631 4.1631 4.1983 4.1983 4.2245 4.2245 6.0220 6.0220 6.1903 6.1903 6.2035 6.2035 6.4701 6.4701 8.7022 8.7022 8.7140 8.7140 k = 0.0847 0.0681 0.0570 ( 2066 PWs) bands (ev): -12.4932 -12.4932 -10.9252 -10.9252 -10.9169 -10.9169 -2.4525 -2.4525 -1.5363 -1.5363 -1.3456 -1.3456 -0.9626 -0.9626 -0.1363 -0.1363 -0.1201 -0.1201 0.9363 0.9363 1.9642 1.9642 2.0411 2.0411 4.1270 4.1270 4.1760 4.1760 4.2032 4.2032 6.0178 6.0178 6.1751 6.1751 6.1874 6.1874 6.4894 6.4894 8.7027 8.7027 8.7147 8.7147 k = 0.0763 0.0613 0.0513 ( 2051 PWs) bands (ev): -12.5039 -12.5039 -10.9320 -10.9320 -10.9240 -10.9240 -2.4454 -2.4454 -1.5234 -1.5234 -1.3238 -1.3238 -0.9444 -0.9444 -0.0518 -0.0518 -0.0278 -0.0278 0.9365 0.9365 1.9034 1.9034 1.9804 1.9804 4.0834 4.0834 4.1319 4.1319 4.2187 4.2187 6.0140 6.0140 6.1615 6.1615 6.1729 6.1729 6.5084 6.5084 8.7033 8.7033 8.7153 8.7153 k = 0.0678 0.0545 0.0456 ( 2057 PWs) bands (ev): -12.5135 -12.5135 -10.9382 -10.9382 -10.9303 -10.9303 -2.4389 -2.4389 -1.5120 -1.5120 -1.3044 -1.3044 -0.9280 -0.9280 0.0306 0.0306 0.0619 0.0619 0.9358 0.9358 1.8421 1.8421 1.9185 1.9185 4.0430 4.0430 4.0923 4.0923 4.2340 4.2340 6.0105 6.0105 6.1493 6.1493 6.1600 6.1600 6.5266 6.5266 8.7038 8.7038 8.7159 8.7159 k = 0.0593 0.0477 0.0399 ( 2051 PWs) bands (ev): -12.5220 -12.5220 -10.9436 -10.9436 -10.9360 -10.9360 -2.4331 -2.4331 -1.5018 -1.5018 -1.2872 -1.2872 -0.9132 -0.9132 0.1106 0.1106 0.1485 0.1485 0.9345 0.9345 1.7811 1.7811 1.8565 1.8565 4.0070 4.0070 4.0573 4.0573 4.2483 4.2483 6.0074 6.0074 6.1386 6.1386 6.1487 6.1487 6.5437 6.5437 8.7043 8.7043 8.7165 8.7165 k = 0.0508 0.0409 0.0342 ( 2051 PWs) bands (ev): -12.5295 -12.5295 -10.9483 -10.9483 -10.9409 -10.9409 -2.4279 -2.4279 -1.4930 -1.4930 -1.2723 -1.2723 -0.9002 -0.9002 0.1867 0.1867 0.2308 0.2308 0.9328 0.9328 1.7215 1.7215 1.7955 1.7955 3.9755 3.9755 4.0269 4.0269 4.2610 4.2610 6.0047 6.0047 6.1294 6.1294 6.1389 6.1389 6.5593 6.5593 8.7048 8.7048 8.7170 8.7170 k = 0.0424 0.0341 0.0285 ( 2051 PWs) bands (ev): -12.5358 -12.5358 -10.9524 -10.9524 -10.9450 -10.9450 -2.4235 -2.4235 -1.4855 -1.4855 -1.2597 -1.2597 -0.8891 -0.8891 0.2575 0.2575 0.3072 0.3072 0.9308 0.9308 1.6648 1.6648 1.7369 1.7369 3.9487 3.9487 4.0012 4.0012 4.2720 4.2720 6.0025 6.0025 6.1216 6.1216 6.1307 6.1307 6.5731 6.5731 8.7052 8.7052 8.7175 8.7175 k = 0.0339 0.0273 0.0228 ( 2048 PWs) bands (ev): -12.5410 -12.5410 -10.9557 -10.9557 -10.9485 -10.9485 -2.4198 -2.4198 -1.4791 -1.4791 -1.2492 -1.2492 -0.8797 -0.8797 0.3210 0.3210 0.3757 0.3757 0.9289 0.9289 1.6129 1.6129 1.6829 1.6829 3.9268 3.9268 3.9802 3.9802 4.2813 4.2813 6.0006 6.0006 6.1152 6.1152 6.1239 6.1239 6.5849 6.5849 8.7056 8.7056 8.7179 8.7179 k = 0.0254 0.0204 0.0171 ( 2057 PWs) bands (ev): -12.5450 -12.5450 -10.9583 -10.9583 -10.9511 -10.9511 -2.4170 -2.4170 -1.4744 -1.4744 -1.2412 -1.2412 -0.8725 -0.8725 0.3748 0.3748 0.4339 0.4339 0.9271 0.9271 1.5679 1.5679 1.6358 1.6358 3.9097 3.9097 3.9639 3.9639 4.2885 4.2885 5.9991 5.9991 6.1103 6.1103 6.1187 6.1187 6.5943 6.5943 8.7059 8.7059 8.7182 8.7182 k = 0.0169 0.0136 0.0114 ( 2051 PWs) bands (ev): -12.5479 -12.5479 -10.9601 -10.9601 -10.9530 -10.9530 -2.4149 -2.4149 -1.4710 -1.4710 -1.2354 -1.2354 -0.8673 -0.8673 0.4166 0.4166 0.4791 0.4791 0.9257 0.9257 1.5329 1.5329 1.5987 1.5987 3.8975 3.8975 3.9522 3.9522 4.2938 4.2938 5.9980 5.9980 6.1067 6.1067 6.1150 6.1150 6.6012 6.6012 8.7061 8.7061 8.7185 8.7185 k = 0.0085 0.0068 0.0057 ( 2045 PWs) bands (ev): -12.5496 -12.5496 -10.9612 -10.9612 -10.9542 -10.9542 -2.4136 -2.4136 -1.4689 -1.4689 -1.2318 -1.2318 -0.8640 -0.8640 0.4431 0.4431 0.5079 0.5079 0.9248 0.9248 1.5103 1.5103 1.5748 1.5748 3.8902 3.8902 3.9453 3.9453 4.2970 4.2970 5.9974 5.9974 6.1046 6.1046 6.1127 6.1127 6.6053 6.6053 8.7063 8.7063 8.7186 8.7186 k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -12.5502 -12.5502 -10.9616 -10.9616 -10.9546 -10.9546 -2.4132 -2.4132 -1.4682 -1.4682 -1.2306 -1.2306 -0.8630 -0.8630 0.4522 0.4522 0.5178 0.5178 0.9245 0.9245 1.5025 1.5025 1.5665 1.5665 3.8877 3.8877 3.9429 3.9429 4.2980 4.2980 5.9972 5.9972 6.1039 6.1039 6.1120 6.1120 6.6067 6.6067 8.7063 8.7063 8.7187 8.7187 k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -12.5502 -12.5502 -10.9616 -10.9616 -10.9546 -10.9546 -2.4132 -2.4132 -1.4682 -1.4682 -1.2306 -1.2306 -0.8630 -0.8630 0.4522 0.4522 0.5178 0.5178 0.9245 0.9245 1.5025 1.5025 1.5665 1.5665 3.8877 3.8877 3.9429 3.9429 4.2980 4.2980 5.9972 5.9972 6.1039 6.1039 6.1120 6.1120 6.6067 6.6067 8.7063 8.7063 8.7187 8.7187 k = 0.0077-0.0017-0.0095 ( 2049 PWs) bands (ev): -12.5495 -12.5495 -10.9616 -10.9616 -10.9546 -10.9546 -2.4142 -2.4142 -1.4687 -1.4687 -1.2314 -1.2314 -0.8637 -0.8637 0.4406 0.4406 0.5067 0.5067 0.9424 0.9424 1.5065 1.5065 1.5703 1.5703 3.8884 3.8884 3.9435 3.9435 4.2990 4.2990 5.9963 5.9963 6.1032 6.1032 6.1113 6.1113 6.6065 6.6065 8.7044 8.7044 8.7169 8.7169 k = 0.0154-0.0034-0.0189 ( 2053 PWs) bands (ev): -12.5474 -12.5474 -10.9619 -10.9619 -10.9548 -10.9548 -2.4168 -2.4168 -1.4698 -1.4698 -1.2336 -1.2336 -0.8656 -0.8656 0.4008 0.4008 0.4862 0.4862 0.9883 0.9883 1.5183 1.5183 1.5816 1.5816 3.8903 3.8903 3.9451 3.9451 4.3021 4.3021 5.9937 5.9937 6.1009 6.1009 6.1097 6.1097 6.6059 6.6059 8.6974 8.6974 8.7127 8.7127 k = 0.0232-0.0051-0.0284 ( 2057 PWs) bands (ev): -12.5439 -12.5439 -10.9624 -10.9624 -10.9549 -10.9549 -2.4213 -2.4213 -1.4718 -1.4718 -1.2372 -1.2372 -0.8687 -0.8687 0.3360 0.3360 0.4670 0.4670 1.0480 1.0480 1.5380 1.5380 1.6007 1.6007 3.8935 3.8935 3.9479 3.9479 4.3072 4.3072 5.9891 5.9891 6.0966 6.0966 6.1077 6.1077 6.6049 6.6049 8.6838 8.6838 8.7078 8.7078 k = 0.0309-0.0068-0.0378 ( 2057 PWs) bands (ev): -12.5390 -12.5390 -10.9632 -10.9632 -10.9549 -10.9549 -2.4275 -2.4275 -1.4743 -1.4743 -1.2422 -1.2422 -0.8728 -0.8728 0.2577 0.2577 0.4467 0.4467 1.1117 1.1117 1.5659 1.5659 1.6278 1.6278 3.8977 3.8977 3.9518 3.9518 4.3147 4.3147 5.9821 5.9821 6.0906 6.0906 6.1056 6.1056 6.6036 6.6036 8.6637 8.6637 8.7022 8.7022 k = 0.0386-0.0085-0.0473 ( 2059 PWs) bands (ev): -12.5327 -12.5327 -10.9645 -10.9645 -10.9547 -10.9547 -2.4353 -2.4353 -1.4777 -1.4777 -1.2486 -1.2486 -0.8781 -0.8781 0.1728 0.1728 0.4236 0.4236 1.1738 1.1738 1.6022 1.6022 1.6630 1.6630 3.9028 3.9028 3.9567 3.9567 4.3247 4.3247 5.9723 5.9723 6.0835 6.0835 6.1032 6.1032 6.6019 6.6019 8.6376 8.6376 8.6956 8.6956 k = 0.0463-0.0102-0.0567 ( 2055 PWs) bands (ev): -12.5250 -12.5250 -10.9663 -10.9663 -10.9542 -10.9542 -2.4449 -2.4449 -1.4818 -1.4818 -1.2562 -1.2562 -0.8842 -0.8842 0.0845 0.0845 0.3975 0.3975 1.2309 1.2309 1.6468 1.6468 1.7065 1.7065 3.9087 3.9087 3.9627 3.9627 4.3374 4.3374 5.9591 5.9591 6.0760 6.0760 6.1005 6.1005 6.6000 6.6000 8.6058 8.6058 8.6877 8.6877 k = 0.0541-0.0119-0.0662 ( 2057 PWs) bands (ev): -12.5160 -12.5160 -10.9685 -10.9685 -10.9535 -10.9535 -2.4560 -2.4560 -1.4867 -1.4867 -1.2651 -1.2651 -0.8911 -0.8911 -0.0056 -0.0056 0.3683 0.3683 1.2817 1.2817 1.6985 1.6985 1.7587 1.7587 3.9152 3.9152 3.9694 3.9694 4.3533 4.3533 5.9420 5.9420 6.0687 6.0687 6.0974 6.0974 6.5978 6.5978 8.5687 8.5687 8.6786 8.6786 k = 0.0618-0.0136-0.0757 ( 2055 PWs) bands (ev): -12.5056 -12.5056 -10.9712 -10.9712 -10.9526 -10.9526 -2.4687 -2.4687 -1.4923 -1.4923 -1.2752 -1.2752 -0.8987 -0.8987 -0.0964 -0.0964 0.3365 0.3365 1.3262 1.3262 1.7552 1.7552 1.8200 1.8200 3.9224 3.9224 3.9768 3.9768 4.3726 4.3726 5.9210 5.9210 6.0618 6.0618 6.0939 6.0939 6.5955 6.5955 8.5266 8.5266 8.6682 8.6682 k = 0.0695-0.0153-0.0851 ( 2054 PWs) bands (ev): -12.4938 -12.4938 -10.9742 -10.9742 -10.9514 -10.9514 -2.4829 -2.4829 -1.4988 -1.4988 -1.2865 -1.2865 -0.9068 -0.9068 -0.1872 -0.1872 0.3022 0.3022 1.3656 1.3656 1.8148 1.8148 1.8900 1.8900 3.9303 3.9303 3.9845 3.9845 4.3955 4.3955 5.8961 5.8961 6.0555 6.0555 6.0900 6.0900 6.5931 6.5931 8.4797 8.4797 8.6564 8.6564 k = 0.0772-0.0170-0.0946 ( 2060 PWs) bands (ev): -12.4808 -12.4808 -10.9777 -10.9777 -10.9501 -10.9501 -2.4985 -2.4985 -1.5063 -1.5063 -1.2989 -1.2989 -0.9156 -0.9156 -0.2776 -0.2776 0.2656 0.2656 1.4013 1.4013 1.8765 1.8765 1.9669 1.9669 3.9389 3.9389 3.9922 3.9922 4.4225 4.4225 5.8674 5.8674 6.0497 6.0497 6.0857 6.0857 6.5907 6.5907 8.4284 8.4284 8.6433 8.6433 k = 0.0850-0.0187-0.1040 ( 2056 PWs) bands (ev): -12.4665 -12.4665 -10.9815 -10.9815 -10.9486 -10.9486 -2.5153 -2.5153 -1.5146 -1.5146 -1.3122 -1.3122 -0.9245 -0.9245 -0.3670 -0.3670 0.2271 0.2271 1.4347 1.4347 1.9399 1.9399 2.0490 2.0490 3.9484 3.9484 3.9998 3.9998 4.4537 4.4537 5.8354 5.8354 6.0442 6.0442 6.0811 6.0811 6.5883 6.5883 8.3730 8.3730 8.6289 8.6289 k = 0.0927-0.0204-0.1135 ( 2054 PWs) bands (ev): -12.4509 -12.4509 -10.9856 -10.9856 -10.9469 -10.9469 -2.5334 -2.5334 -1.5240 -1.5240 -1.3264 -1.3264 -0.9339 -0.9339 -0.4551 -0.4551 0.1867 0.1867 1.4666 1.4666 2.0048 2.0048 2.1344 2.1344 3.9589 3.9589 4.0070 4.0070 4.4892 4.4892 5.8003 5.8003 6.0388 6.0388 6.0762 6.0762 6.5861 6.5861 8.3140 8.3140 8.6131 8.6131 k = 0.1004-0.0221-0.1229 ( 2058 PWs) bands (ev): -12.4341 -12.4341 -10.9900 -10.9900 -10.9451 -10.9451 -2.5526 -2.5526 -1.5347 -1.5347 -1.3414 -1.3414 -0.9436 -0.9436 -0.5417 -0.5417 0.1445 0.1445 1.4978 1.4978 2.0709 2.0709 2.2219 2.2219 3.9704 3.9704 4.0137 4.0137 4.5291 4.5291 5.7624 5.7624 6.0334 6.0334 6.0709 6.0709 6.5841 6.5841 8.2518 8.2518 8.5961 8.5961 k = 0.1081-0.0238-0.1324 ( 2064 PWs) bands (ev): -12.4161 -12.4161 -10.9947 -10.9947 -10.9430 -10.9430 -2.5727 -2.5727 -1.5469 -1.5469 -1.3571 -1.3571 -0.9536 -0.9536 -0.6261 -0.6261 0.1007 0.1007 1.5289 1.5289 2.1380 2.1380 2.3106 2.3106 3.9829 3.9829 4.0203 4.0203 4.5733 4.5733 5.7220 5.7220 6.0277 6.0277 6.0655 6.0655 6.5823 6.5823 8.1867 8.1867 8.5779 8.5779 k = 0.1159-0.0255-0.1419 ( 2074 PWs) bands (ev): -12.3969 -12.3969 -10.9997 -10.9997 -10.9408 -10.9408 -2.5938 -2.5938 -1.5611 -1.5611 -1.3734 -1.3734 -0.9641 -0.9641 -0.7080 -0.7080 0.0553 0.0553 1.5600 1.5600 2.2055 2.2055 2.3997 2.3997 3.9961 3.9961 4.0271 4.0271 4.6218 4.6218 5.6794 5.6794 6.0215 6.0215 6.0599 6.0599 6.5809 6.5809 8.1193 8.1193 8.5583 8.5583 k = 0.1236-0.0272-0.1513 ( 2076 PWs) bands (ev): -12.3767 -12.3767 -11.0050 -11.0050 -10.9383 -10.9383 -2.6155 -2.6155 -1.5773 -1.5773 -1.3899 -1.3899 -0.9754 -0.9754 -0.7862 -0.7862 0.0086 0.0086 1.5915 1.5915 2.2729 2.2729 2.4888 2.4888 4.0087 4.0087 4.0357 4.0357 4.6744 4.6744 5.6349 5.6349 6.0148 6.0148 6.0543 6.0543 6.5799 6.5799 8.0501 8.0501 8.5376 8.5376 k = 0.1313-0.0289-0.1608 ( 2078 PWs) bands (ev): -12.3553 -12.3553 -11.0105 -11.0105 -10.9357 -10.9357 -2.6379 -2.6379 -1.5963 -1.5963 -1.4064 -1.4064 -0.9886 -0.9886 -0.8595 -0.8595 -0.0394 -0.0394 1.6234 1.6234 2.3399 2.3399 2.5775 2.5775 4.0184 4.0184 4.0487 4.0487 4.7309 4.7309 5.5885 5.5885 6.0074 6.0074 6.0488 6.0488 6.5794 6.5794 7.9795 7.9795 8.5156 8.5156 k = 0.1390-0.0306-0.1702 ( 2078 PWs) bands (ev): -12.3329 -12.3329 -11.0162 -11.0162 -10.9328 -10.9328 -2.6608 -2.6608 -1.6187 -1.6187 -1.4226 -1.4226 -1.0078 -1.0078 -0.9232 -0.9232 -0.0885 -0.0885 1.6558 1.6558 2.4060 2.4060 2.6655 2.6655 4.0247 4.0247 4.0669 4.0669 4.7910 4.7910 5.5407 5.5407 5.9990 5.9990 6.0436 6.0436 6.5793 6.5793 7.9082 7.9082 8.4924 8.4924 k = 0.1468-0.0323-0.1797 ( 2076 PWs) bands (ev): -12.3096 -12.3096 -11.0222 -11.0222 -10.9297 -10.9297 -2.6841 -2.6841 -1.6449 -1.6449 -1.4383 -1.4383 -1.0433 -1.0433 -0.9665 -0.9665 -0.1388 -0.1388 1.6887 1.6887 2.4706 2.4706 2.7526 2.7526 4.0289 4.0289 4.0892 4.0892 4.8545 4.8545 5.4915 5.4915 5.9894 5.9894 6.0389 6.0389 6.5797 6.5797 7.8367 7.8367 8.4680 8.4680 k = 0.1545-0.0340-0.1891 ( 2074 PWs) bands (ev): -12.2853 -12.2853 -11.0283 -11.0283 -10.9263 -10.9263 -2.7076 -2.7076 -1.6757 -1.6757 -1.4532 -1.4532 -1.0957 -1.0957 -0.9885 -0.9885 -0.1899 -0.1899 1.7220 1.7220 2.5334 2.5334 2.8385 2.8385 4.0320 4.0320 4.1151 4.1151 4.9209 4.9209 5.4413 5.4413 5.9784 5.9784 6.0349 6.0349 6.5807 6.5807 7.7657 7.7657 8.4424 8.4424 k = 0.1622-0.0357-0.1986 ( 2074 PWs) bands (ev): -12.2602 -12.2602 -11.0346 -11.0346 -10.9226 -10.9226 -2.7313 -2.7313 -1.7115 -1.7115 -1.4673 -1.4673 -1.1519 -1.1519 -1.0020 -1.0020 -0.2417 -0.2417 1.7558 1.7558 2.5938 2.5938 2.9231 2.9231 4.0346 4.0346 4.1440 4.1440 4.9897 4.9897 5.3901 5.3901 5.9657 5.9657 6.0318 6.0318 6.5822 6.5822 7.6959 7.6959 8.4157 8.4157 k = 0.1699-0.0374-0.2081 ( 2076 PWs) bands (ev): -12.2342 -12.2342 -11.0410 -11.0410 -10.9187 -10.9187 -2.7551 -2.7551 -1.7522 -1.7522 -1.4804 -1.4804 -1.2062 -1.2062 -1.0127 -1.0127 -0.2942 -0.2942 1.7899 1.7899 2.6515 2.6515 3.0062 3.0062 4.0370 4.0370 4.1759 4.1759 5.0605 5.0605 5.3385 5.3385 5.9511 5.9511 6.0300 6.0300 6.5844 6.5844 7.6280 7.6280 8.3879 8.3879 k = 0.1777-0.0391-0.2175 ( 2078 PWs) bands (ev): -12.2076 -12.2076 -11.0476 -11.0476 -10.9144 -10.9144 -2.7788 -2.7788 -1.7978 -1.7978 -1.4926 -1.4926 -1.2571 -1.2571 -1.0221 -1.0221 -0.3471 -0.3471 1.8243 1.8243 2.7061 2.7061 3.0876 3.0876 4.0394 4.0394 4.2108 4.2108 5.1320 5.1320 5.2871 5.2871 5.9341 5.9341 6.0299 6.0299 6.5871 6.5871 7.5627 7.5627 8.3589 8.3589 k = 0.1854-0.0408-0.2270 ( 2078 PWs) bands (ev): -12.1803 -12.1803 -11.0543 -11.0543 -10.9098 -10.9098 -2.8024 -2.8024 -1.8478 -1.8478 -1.5040 -1.5040 -1.3043 -1.3043 -1.0306 -1.0306 -0.4001 -0.4001 1.8589 1.8589 2.7574 2.7574 3.1671 3.1671 4.0420 4.0420 4.2485 4.2485 5.1949 5.1949 5.2448 5.2448 5.9145 5.9145 6.0322 6.0322 6.5904 6.5904 7.5009 7.5009 8.3289 8.3289 k = 0.1931-0.0425-0.2364 ( 2078 PWs) bands (ev): -12.1524 -12.1524 -11.0611 -11.0611 -10.9049 -10.9049 -2.8257 -2.8257 -1.9014 -1.9014 -1.5151 -1.5151 -1.3481 -1.3481 -1.0387 -1.0387 -0.4530 -0.4530 1.8936 1.8936 2.8052 2.8052 3.2446 3.2446 4.0452 4.0452 4.2886 4.2886 5.1721 5.1721 5.2880 5.2880 5.8920 5.8920 6.0373 6.0373 6.5944 6.5944 7.4433 7.4433 8.2978 8.2978 k = 0.2008-0.0442-0.2459 ( 2082 PWs) bands (ev): -12.1240 -12.1240 -11.0680 -11.0680 -10.8995 -10.8995 -2.8488 -2.8488 -1.9581 -1.9581 -1.5261 -1.5261 -1.3888 -1.3888 -1.0462 -1.0462 -0.5056 -0.5056 1.9283 1.9283 2.8493 2.8493 3.3197 3.3197 4.0492 4.0492 4.3309 4.3309 5.1209 5.1209 5.3588 5.3588 5.8661 5.8661 6.0463 6.0463 6.5989 6.5989 7.3907 7.3907 8.2656 8.2656 k = 0.2086-0.0459-0.2554 ( 2076 PWs) bands (ev): -12.0953 -12.0953 -11.0749 -11.0749 -10.8936 -10.8936 -2.8715 -2.8715 -2.0169 -2.0169 -1.5379 -1.5379 -1.4262 -1.4262 -1.0533 -1.0533 -0.5575 -0.5575 1.9628 1.9628 2.8899 2.8899 3.3922 3.3922 4.0545 4.0545 4.3747 4.3747 5.0683 5.0683 5.4292 5.4292 5.8369 5.8369 6.0602 6.0602 6.6041 6.6041 7.3439 7.3439 8.2324 8.2324 k = 0.2163-0.0476-0.2648 ( 2076 PWs) bands (ev): -12.0662 -12.0662 -11.0819 -11.0819 -10.8873 -10.8873 -2.8938 -2.8938 -2.0773 -2.0773 -1.5519 -1.5519 -1.4598 -1.4598 -1.0601 -1.0601 -0.6085 -0.6085 1.9971 1.9971 2.9267 2.9267 3.4617 3.4617 4.0613 4.0613 4.4191 4.4191 5.0161 5.0161 5.4963 5.4963 5.8041 5.8041 6.0804 6.0804 6.6100 6.6100 7.3034 7.3034 8.1982 8.1982 k = 0.2240-0.0493-0.2743 ( 2074 PWs) bands (ev): -12.0369 -12.0369 -11.0889 -11.0889 -10.8805 -10.8805 -2.9157 -2.9157 -2.1386 -2.1386 -1.5704 -1.5704 -1.4879 -1.4879 -1.0664 -1.0664 -0.6582 -0.6582 2.0310 2.0310 2.9601 2.9601 3.5276 3.5276 4.0703 4.0703 4.4628 4.4628 4.9655 4.9655 5.5582 5.5582 5.7677 5.7677 6.1082 6.1082 6.6165 6.6165 7.2698 7.2698 8.1630 8.1630 k = 0.2317-0.0510-0.2837 ( 2076 PWs) bands (ev): -12.0076 -12.0076 -11.0959 -11.0959 -10.8732 -10.8732 -2.9371 -2.9371 -2.2003 -2.2003 -1.5958 -1.5958 -1.5088 -1.5088 -1.0725 -1.0725 -0.7065 -0.7065 2.0644 2.0644 2.9901 2.9901 3.5894 3.5894 4.0823 4.0823 4.5036 4.5036 4.9183 4.9183 5.6130 5.6130 5.7283 5.7283 6.1450 6.1450 6.6238 6.6238 7.2435 7.2435 8.1268 8.1268 k = 0.2395-0.0527-0.2932 ( 2076 PWs) bands (ev): -11.9782 -11.9782 -11.1029 -11.1029 -10.8652 -10.8652 -2.9580 -2.9580 -2.2619 -2.2619 -1.6279 -1.6279 -1.5232 -1.5232 -1.0783 -1.0783 -0.7528 -0.7528 2.0971 2.0971 3.0170 3.0170 3.6461 3.6461 4.0980 4.0980 4.5376 4.5376 4.8777 4.8778 5.6559 5.6559 5.6900 5.6900 6.1913 6.1913 6.6320 6.6320 7.2246 7.2246 8.0897 8.0897 k = 0.2472-0.0544-0.3026 ( 2076 PWs) bands (ev): -11.9490 -11.9490 -11.1099 -11.1099 -10.8565 -10.8565 -2.9784 -2.9784 -2.3231 -2.3231 -1.6648 -1.6648 -1.5332 -1.5332 -1.0838 -1.0838 -0.7968 -0.7968 2.1292 2.1292 3.0409 3.0409 3.6969 3.6969 4.1183 4.1183 4.5583 4.5583 4.8498 4.8498 5.6344 5.6344 5.7058 5.7058 6.2466 6.2466 6.6414 6.6414 7.2133 7.2133 8.0518 8.0518 k = 0.2549-0.0561-0.3121 ( 2078 PWs) bands (ev): -11.9200 -11.9200 -11.1168 -11.1168 -10.8472 -10.8472 -2.9983 -2.9983 -2.3836 -2.3836 -1.7051 -1.7051 -1.5408 -1.5408 -1.0893 -1.0893 -0.8384 -0.8384 2.1603 2.1603 3.0621 3.0621 3.7412 3.7412 4.1439 4.1439 4.5581 4.5581 4.8416 4.8416 5.5874 5.5874 5.7381 5.7381 6.3095 6.3095 6.6524 6.6524 7.2095 7.2095 8.0129 8.0129 k = 0.2626-0.0578-0.3216 ( 2078 PWs) bands (ev): -11.8914 -11.8914 -11.1236 -11.1236 -10.8371 -10.8371 -3.0177 -3.0177 -2.4433 -2.4433 -1.7479 -1.7479 -1.5467 -1.5467 -1.0947 -1.0947 -0.8770 -0.8770 2.1905 2.1905 3.0809 3.0809 3.7786 3.7786 4.1754 4.1754 4.5350 4.5350 4.8544 4.8544 5.5377 5.5377 5.7662 5.7662 6.3773 6.3773 6.6659 6.6659 7.2128 7.2128 7.9732 7.9732 k = 0.2704-0.0595-0.3310 ( 2076 PWs) bands (ev): -11.8633 -11.8633 -11.1304 -11.1304 -10.8263 -10.8263 -3.0366 -3.0366 -2.5017 -2.5017 -1.7930 -1.7930 -1.5515 -1.5515 -1.1003 -1.1003 -0.9123 -0.9123 2.2196 2.2196 3.0974 3.0974 3.8092 3.8092 4.2124 4.2124 4.4949 4.4949 4.8819 4.8819 5.4870 5.4870 5.7908 5.7908 6.4466 6.4466 6.6839 6.6839 7.2231 7.2231 7.9327 7.9327 k = 0.2781-0.0612-0.3405 ( 2076 PWs) bands (ev): -11.8357 -11.8357 -11.1371 -11.1371 -10.8146 -10.8146 -3.0551 -3.0551 -2.5589 -2.5589 -1.8399 -1.8399 -1.5555 -1.5555 -1.1066 -1.1066 -0.9440 -0.9440 2.2476 2.2476 3.1119 3.1119 3.8339 3.8339 4.2541 4.2541 4.4447 4.4447 4.9166 4.9166 5.4360 5.4360 5.8129 5.8129 6.5118 6.5118 6.7101 6.7101 7.2399 7.2399 7.8914 7.8914 k = 0.2858-0.0629-0.3499 ( 2080 PWs) bands (ev): -11.8089 -11.8089 -11.1437 -11.1437 -10.8021 -10.8021 -3.0733 -3.0733 -2.6146 -2.6146 -1.8887 -1.8887 -1.5590 -1.5590 -1.1139 -1.1139 -0.9714 -0.9714 2.2742 2.2742 3.1246 3.1246 3.8536 3.8536 4.2992 4.2992 4.3890 4.3890 4.9539 4.9539 5.3856 5.3856 5.8337 5.8337 6.5656 6.5656 6.7506 6.7506 7.2629 7.2629 7.8495 7.8495 k = 0.2935-0.0646-0.3594 ( 2082 PWs) bands (ev): -11.7829 -11.7829 -11.1501 -11.1501 -10.7887 -10.7887 -3.0911 -3.0911 -2.6688 -2.6688 -1.9388 -1.9388 -1.5619 -1.5619 -1.1227 -1.1227 -0.9942 -0.9942 2.2995 2.2995 3.1356 3.1356 3.8695 3.8695 4.3224 4.3224 4.3542 4.3542 4.9908 4.9908 5.3370 5.3370 5.8538 5.8538 6.6037 6.6037 6.8087 6.8087 7.2914 7.2914 7.8070 7.8070 k = 0.3013-0.0663-0.3688 ( 2078 PWs) bands (ev): -11.7578 -11.7578 -11.1565 -11.1565 -10.7745 -10.7745 -3.1086 -3.1086 -2.7211 -2.7211 -1.9901 -1.9901 -1.5643 -1.5643 -1.1335 -1.1334 -1.0118 -1.0118 2.3234 2.3234 3.1451 3.1451 3.8826 3.8826 4.2634 4.2634 4.4009 4.4009 5.0251 5.0251 5.2915 5.2915 5.8739 5.8739 6.6289 6.6289 6.8806 6.8806 7.3251 7.3251 7.7639 7.7639 k = 0.3090-0.0680-0.3783 ( 2086 PWs) bands (ev): -11.7337 -11.7337 -11.1627 -11.1627 -10.7594 -10.7594 -3.1260 -3.1260 -2.7715 -2.7715 -2.0424 -2.0424 -1.5665 -1.5665 -1.1463 -1.1463 -1.0246 -1.0246 2.3458 2.3458 3.1533 3.1533 3.8935 3.8935 4.1990 4.1990 4.4522 4.4522 5.0539 5.0539 5.2517 5.2517 5.8942 5.8942 6.6465 6.6465 6.9603 6.9603 7.3634 7.3634 7.7204 7.7204 k = 0.3167-0.0697-0.3878 ( 2086 PWs) bands (ev): -11.7107 -11.7107 -11.1687 -11.1687 -10.7434 -10.7434 -3.1433 -3.1433 -2.8199 -2.8199 -2.0951 -2.0951 -1.5683 -1.5683 -1.1606 -1.1606 -1.0328 -1.0328 2.3667 2.3667 3.1603 3.1603 3.9029 3.9029 4.1331 4.1331 4.5043 4.5043 5.0716 5.0716 5.2230 5.2230 5.9151 5.9151 6.6601 6.6601 7.0435 7.0435 7.4057 7.4057 7.6767 7.6767 k = 0.3244-0.0714-0.3972 ( 2092 PWs) bands (ev): -11.6888 -11.6888 -11.1745 -11.1745 -10.7266 -10.7266 -3.1608 -3.1608 -2.8662 -2.8662 -2.1481 -2.1481 -1.5699 -1.5699 -1.1758 -1.1758 -1.0374 -1.0374 2.3861 2.3861 3.1662 3.1662 3.9110 3.9110 4.0663 4.0663 4.5566 4.5566 5.0702 5.0702 5.2133 5.2133 5.9367 5.9367 6.6713 6.6713 7.1275 7.1275 7.4515 7.4515 7.6332 7.6332 k = 0.3322-0.0731-0.4067 ( 2094 PWs) bands (ev): -11.6681 -11.6681 -11.1802 -11.1802 -10.7091 -10.7091 -3.1784 -3.1784 -2.9101 -2.9101 -2.2010 -2.2010 -1.5713 -1.5713 -1.1911 -1.1911 -1.0393 -1.0393 2.4040 2.4040 3.1712 3.1712 3.9180 3.9180 3.9994 3.9994 4.6088 4.6088 5.0500 5.0500 5.2225 5.2225 5.9590 5.9590 6.6810 6.6810 7.2108 7.2108 7.5003 7.5003 7.5905 7.5905 k = 0.3399-0.0748-0.4161 ( 2094 PWs) bands (ev): -11.6487 -11.6487 -11.1857 -11.1857 -10.6909 -10.6909 -3.1965 -3.1965 -2.9514 -2.9514 -2.2535 -2.2535 -1.5724 -1.5724 -1.2060 -1.2060 -1.0391 -1.0391 2.4203 2.4203 3.1752 3.1752 3.9180 3.9180 3.9385 3.9385 4.6608 4.6608 5.0206 5.0206 5.2411 5.2411 5.9820 5.9820 6.6897 6.6897 7.2906 7.2906 7.5479 7.5479 7.5539 7.5539 k = 0.3476-0.0765-0.4256 ( 2088 PWs) bands (ev): -11.6305 -11.6305 -11.1910 -11.1910 -10.6720 -10.6720 -3.2150 -3.2150 -2.9901 -2.9901 -2.3051 -2.3051 -1.5733 -1.5733 -1.2203 -1.2203 -1.0371 -1.0371 2.4352 2.4352 3.1783 3.1783 3.8616 3.8616 3.9340 3.9340 4.7123 4.7123 4.9885 4.9885 5.2626 5.2626 6.0058 6.0058 6.6973 6.6973 7.3597 7.3597 7.5193 7.5193 7.6046 7.6046 k = 0.3553-0.0782-0.4350 ( 2088 PWs) bands (ev): -11.6136 -11.6136 -11.1961 -11.1961 -10.6527 -10.6527 -3.2343 -3.2343 -3.0259 -3.0259 -2.3557 -2.3557 -1.5742 -1.5742 -1.2337 -1.2337 -1.0339 -1.0339 2.4486 2.4486 3.1806 3.1806 3.7957 3.7957 3.9394 3.9394 4.7631 4.7631 4.9565 4.9565 5.2843 5.2843 6.0301 6.0301 6.7042 6.7042 7.3916 7.3916 7.5241 7.5241 7.6588 7.6588 k = 0.3631-0.0799-0.4445 ( 2090 PWs) bands (ev): -11.5980 -11.5980 -11.2009 -11.2009 -10.6331 -10.6331 -3.2544 -3.2544 -3.0589 -3.0589 -2.4049 -2.4049 -1.5751 -1.5751 -1.2462 -1.2462 -1.0296 -1.0296 2.4606 2.4606 3.1820 3.1820 3.7304 3.7304 3.9449 3.9449 4.8129 4.8129 4.9262 4.9262 5.3051 5.3051 6.0550 6.0550 6.7101 6.7101 7.3725 7.3725 7.5778 7.5778 7.7137 7.7137 k = 0.3708-0.0816-0.4540 ( 2090 PWs) bands (ev): -11.5835 -11.5835 -11.2056 -11.2056 -10.6132 -10.6132 -3.2753 -3.2753 -3.0889 -3.0889 -2.4523 -2.4523 -1.5758 -1.5758 -1.2577 -1.2577 -1.0243 -1.0243 2.4713 2.4713 3.1825 3.1825 3.6667 3.6667 3.9501 3.9501 4.8594 4.8594 4.9001 4.9001 5.3246 5.3246 6.0803 6.0803 6.7151 6.7151 7.3355 7.3355 7.6473 7.6473 7.7689 7.7689 k = 0.3785-0.0833-0.4634 ( 2090 PWs) bands (ev): -11.5703 -11.5703 -11.2100 -11.2100 -10.5933 -10.5933 -3.2970 -3.2970 -3.1161 -3.1161 -2.4978 -2.4978 -1.5765 -1.5765 -1.2683 -1.2683 -1.0184 -1.0184 2.4808 2.4808 3.1819 3.1819 3.6050 3.6050 3.9552 3.9552 4.8641 4.8641 4.9169 4.9169 5.3427 5.3427 6.1059 6.1059 6.7191 6.7191 7.2943 7.2943 7.7188 7.7188 7.8237 7.8237 k = 0.3862-0.0850-0.4729 ( 2092 PWs) bands (ev): -11.5582 -11.5582 -11.2141 -11.2141 -10.5735 -10.5735 -3.3192 -3.3192 -3.1406 -3.1406 -2.5410 -2.5410 -1.5772 -1.5772 -1.2779 -1.2779 -1.0119 -1.0119 2.4891 2.4891 3.1802 3.1802 3.5462 3.5462 3.9599 3.9599 4.8407 4.8407 4.9630 4.9630 5.3592 5.3592 6.1316 6.1316 6.7219 6.7219 7.2521 7.2521 7.7891 7.7891 7.8777 7.8777 k = 0.3940-0.0867-0.4823 ( 2090 PWs) bands (ev): -11.5473 -11.5473 -11.2180 -11.2180 -10.5539 -10.5539 -3.3415 -3.3415 -3.1628 -3.1628 -2.5818 -2.5818 -1.5778 -1.5778 -1.2867 -1.2867 -1.0048 -1.0048 2.4963 2.4963 3.1770 3.1770 3.4907 3.4907 3.9644 3.9644 4.8176 4.8176 5.0096 5.0096 5.3744 5.3744 6.1572 6.1572 6.7232 6.7232 7.2104 7.2104 7.8568 7.8568 7.9304 7.9304 k = 0.4017-0.0884-0.4918 ( 2082 PWs) bands (ev): -11.5374 -11.5374 -11.2217 -11.2217 -10.5348 -10.5348 -3.3637 -3.3637 -3.1827 -3.1827 -2.6199 -2.6199 -1.5784 -1.5784 -1.2946 -1.2946 -0.9974 -0.9974 2.5026 2.5026 3.1718 3.1718 3.4396 3.4396 3.9685 3.9685 4.7962 4.7962 5.0554 5.0554 5.3881 5.3881 6.1827 6.1827 6.7228 6.7228 7.1698 7.1698 7.9214 7.9214 7.9815 7.9815 k = 0.4094-0.0901-0.5012 ( 2076 PWs) bands (ev): -11.5285 -11.5285 -11.2251 -11.2251 -10.5163 -10.5163 -3.3855 -3.3855 -3.2010 -3.2010 -2.6552 -2.6552 -1.5790 -1.5790 -1.3016 -1.3016 -0.9898 -0.9898 2.5080 2.5080 3.1638 3.1638 3.3939 3.3939 3.9724 3.9724 4.7766 4.7766 5.1000 5.1000 5.4004 5.4004 6.2080 6.2080 6.7203 6.7203 7.1310 7.1310 7.9824 7.9824 8.0304 8.0304 k = 0.4171-0.0918-0.5107 ( 2072 PWs) bands (ev): -11.5205 -11.5205 -11.2282 -11.2282 -10.4986 -10.4986 -3.4064 -3.4064 -3.2176 -3.2176 -2.6876 -2.6876 -1.5796 -1.5796 -1.3079 -1.3079 -0.9822 -0.9822 2.5125 2.5125 3.1523 3.1523 3.3547 3.3547 3.9759 3.9759 4.7588 4.7588 5.1431 5.1431 5.4115 5.4115 6.2329 6.2329 6.7154 6.7154 7.0947 7.0947 8.0394 8.0394 8.0768 8.0768 k = 0.4249-0.0935-0.5202 ( 2080 PWs) bands (ev): -11.5135 -11.5135 -11.2311 -11.2311 -10.4818 -10.4818 -3.4263 -3.4263 -3.2330 -3.2330 -2.7170 -2.7170 -1.5803 -1.5803 -1.3137 -1.3137 -0.9747 -0.9747 2.5163 2.5163 3.1365 3.1365 3.3232 3.3232 3.9791 3.9791 4.7427 4.7427 5.1844 5.1844 5.4214 5.4214 6.2574 6.2574 6.7077 6.7077 7.0616 7.0616 8.0921 8.0921 8.1203 8.1203 k = 0.5751 0.3085-0.1840 ( 2080 PWs) bands (ev): -11.5145 -11.5145 -11.2306 -11.2306 -10.4813 -10.4813 -3.4261 -3.4261 -3.2328 -3.2328 -2.7168 -2.7168 -1.5803 -1.5803 -1.3137 -1.3137 -0.9747 -0.9747 2.5154 2.5154 3.1362 3.1362 3.3229 3.3229 3.9784 3.9784 4.7432 4.7432 5.1848 5.1848 5.4219 5.4219 6.2579 6.2579 6.7076 6.7076 7.0615 7.0615 8.0926 8.0926 8.1199 8.1199 k = 0.5676 0.3178-0.1840 ( 2078 PWs) bands (ev): -11.5085 -11.5085 -11.2331 -11.2331 -10.4661 -10.4661 -3.4442 -3.4442 -3.2465 -3.2465 -2.7424 -2.7424 -1.5809 -1.5809 -1.3185 -1.3185 -0.9676 -0.9676 2.5185 2.5185 3.1168 3.1168 3.2998 3.2998 3.9812 3.9812 4.7292 4.7292 5.2230 5.2230 5.4304 5.4304 6.2813 6.2813 6.6970 6.6970 7.0328 7.0328 8.1395 8.1395 8.1593 8.1593 k = 0.5601 0.3272-0.1840 ( 2074 PWs) bands (ev): -11.5033 -11.5033 -11.2354 -11.2354 -10.4520 -10.4520 -3.4607 -3.4607 -3.2589 -3.2589 -2.7650 -2.7650 -1.5814 -1.5814 -1.3226 -1.3226 -0.9608 -0.9608 2.5211 2.5211 3.0946 3.0946 3.2832 3.2832 3.9837 3.9837 4.7168 4.7168 5.2588 5.2588 5.4380 5.4380 6.3043 6.3043 6.6831 6.6831 7.0081 7.0081 8.1820 8.1820 8.1955 8.1955 k = 0.5526 0.3365-0.1840 ( 2076 PWs) bands (ev): -11.4987 -11.4987 -11.2374 -11.2374 -10.4393 -10.4393 -3.4757 -3.4757 -3.2701 -3.2701 -2.7849 -2.7849 -1.5819 -1.5819 -1.3263 -1.3263 -0.9546 -0.9546 2.5232 2.5232 3.0712 3.0712 3.2717 3.2717 3.9859 3.9859 4.7060 4.7060 5.2918 5.2918 5.4447 5.4447 6.3269 6.3269 6.6660 6.6660 6.9876 6.9876 8.2193 8.2193 8.2285 8.2285 k = 0.5451 0.3459-0.1840 ( 2076 PWs) bands (ev): -11.4949 -11.4949 -11.2391 -11.2391 -10.4280 -10.4280 -3.4888 -3.4888 -3.2800 -3.2800 -2.8020 -2.8020 -1.5824 -1.5824 -1.3293 -1.3293 -0.9489 -0.9489 2.5250 2.5250 3.0485 3.0485 3.2637 3.2637 3.9878 3.9878 4.6967 4.6967 5.3216 5.3216 5.4505 5.4505 6.3491 6.3491 6.6461 6.6461 6.9711 6.9711 8.2510 8.2510 8.2586 8.2586 k = 0.5376 0.3552-0.1840 ( 2076 PWs) bands (ev): -11.4917 -11.4917 -11.2406 -11.2406 -10.4183 -10.4183 -3.5002 -3.5002 -3.2885 -3.2885 -2.8162 -2.8162 -1.5828 -1.5828 -1.3319 -1.3319 -0.9438 -0.9438 2.5263 2.5263 3.0278 3.0278 3.2582 3.2582 3.9894 3.9894 4.6889 4.6889 5.3477 5.3477 5.4555 5.4555 6.3711 6.3711 6.6240 6.6240 6.9584 6.9584 8.2770 8.2770 8.2855 8.2855 k = 0.5301 0.3646-0.1840 ( 2074 PWs) bands (ev): -11.4891 -11.4891 -11.2419 -11.2419 -10.4102 -10.4102 -3.5096 -3.5096 -3.2957 -3.2957 -2.8277 -2.8277 -1.5831 -1.5831 -1.3340 -1.3340 -0.9395 -0.9395 2.5274 2.5274 3.0098 3.0098 3.2543 3.2543 3.9907 3.9907 4.6826 4.6826 5.3697 5.3697 5.4597 5.4597 6.3929 6.3929 6.6006 6.6006 6.9489 6.9489 8.2978 8.2978 8.3083 8.3083 k = 0.5225 0.3739-0.1840 ( 2076 PWs) bands (ev): -11.4871 -11.4871 -11.2428 -11.2428 -10.4038 -10.4038 -3.5170 -3.5170 -3.3014 -3.3014 -2.8366 -2.8366 -1.5834 -1.5834 -1.3356 -1.3356 -0.9361 -0.9361 2.5281 2.5281 2.9953 2.9953 3.2517 3.2517 3.9917 3.9917 4.6776 4.6776 5.3871 5.3871 5.4632 5.4632 6.4142 6.4142 6.5768 6.5768 6.9421 6.9421 8.3140 8.3140 8.3263 8.3263 k = 0.5150 0.3833-0.1840 ( 2078 PWs) bands (ev): -11.4857 -11.4857 -11.2435 -11.2435 -10.3993 -10.3993 -3.5223 -3.5223 -3.3055 -3.3055 -2.8429 -2.8429 -1.5836 -1.5836 -1.3367 -1.3367 -0.9337 -0.9337 2.5287 2.5287 2.9848 2.9848 3.2500 3.2500 3.9924 3.9924 4.6741 4.6741 5.3997 5.3997 5.4659 5.4659 6.4347 6.4347 6.5541 6.5541 6.9375 6.9375 8.3255 8.3255 8.3393 8.3393 k = 0.5075 0.3926-0.1840 ( 2076 PWs) bands (ev): -11.4848 -11.4848 -11.2439 -11.2439 -10.3965 -10.3965 -3.5255 -3.5255 -3.3080 -3.3080 -2.8467 -2.8467 -1.5838 -1.5838 -1.3374 -1.3374 -0.9321 -0.9321 2.5290 2.5290 2.9783 2.9783 3.2491 3.2491 3.9929 3.9929 4.6721 4.6721 5.4072 5.4072 5.4677 5.4677 6.4522 6.4522 6.5349 6.5349 6.9349 6.9349 8.3325 8.3325 8.3472 8.3472 k = 0.5000 0.4019-0.1840 ( 2072 PWs) bands (ev): -11.4845 -11.4845 -11.2440 -11.2440 -10.3955 -10.3955 -3.5265 -3.5265 -3.3088 -3.3088 -2.8479 -2.8479 -1.5837 -1.5837 -1.3376 -1.3376 -0.9316 -0.9316 2.5291 2.5291 2.9761 2.9761 3.2488 3.2488 3.9930 3.9930 4.6714 4.6714 5.4097 5.4097 5.4683 5.4683 6.4602 6.4602 6.5263 6.5263 6.9341 6.9341 8.3348 8.3348 8.3499 8.3499 k = 0.5000 0.4019-0.1840 ( 2072 PWs) bands (ev): -11.4845 -11.4845 -11.2440 -11.2440 -10.3955 -10.3955 -3.5265 -3.5265 -3.3088 -3.3088 -2.8479 -2.8479 -1.5837 -1.5837 -1.3376 -1.3376 -0.9316 -0.9316 2.5291 2.5291 2.9761 2.9761 3.2488 3.2488 3.9930 3.9930 4.6714 4.6714 5.4097 5.4097 5.4683 5.4683 6.4602 6.4602 6.5263 6.5263 6.9341 6.9341 8.3348 8.3348 8.3499 8.3499 k = 0.5026 0.4040-0.1724 ( 2076 PWs) bands (ev): -11.4845 -11.4845 -11.2432 -11.2432 -10.3955 -10.3955 -3.5262 -3.5262 -3.3084 -3.3084 -2.8482 -2.8482 -1.5848 -1.5848 -1.3388 -1.3388 -0.9322 -0.9322 2.4912 2.4912 2.9766 2.9766 3.2870 3.2870 3.9934 3.9934 4.6706 4.6706 5.4102 5.4102 5.4665 5.4665 6.4601 6.4601 6.5308 6.5308 6.9351 6.9351 8.3349 8.3349 8.3499 8.3499 k = 0.5052 0.4061-0.1608 ( 2076 PWs) bands (ev): -11.4843 -11.4843 -11.2408 -11.2408 -10.3954 -10.3954 -3.5252 -3.5252 -3.3071 -3.3071 -2.8489 -2.8489 -1.5876 -1.5876 -1.3423 -1.3423 -0.9341 -0.9341 2.3951 2.3951 2.9783 2.9783 3.3833 3.3833 3.9951 3.9951 4.6683 4.6683 5.4114 5.4114 5.4616 5.4616 6.4598 6.4598 6.5439 6.5439 6.9382 6.9382 8.3353 8.3353 8.3501 8.3501 k = 0.5078 0.4082-0.1492 ( 2075 PWs) bands (ev): -11.4841 -11.4841 -11.2368 -11.2368 -10.3953 -10.3953 -3.5235 -3.5235 -3.3050 -3.3050 -2.8500 -2.8500 -1.5924 -1.5924 -1.3482 -1.3482 -0.9372 -0.9372 2.2685 2.2685 2.9814 2.9814 3.5081 3.5081 4.0001 4.0001 4.6641 4.6641 5.4131 5.4131 5.4547 5.4547 6.4593 6.4593 6.5650 6.5650 6.9434 6.9434 8.3354 8.3354 8.3509 8.3509 k = 0.5104 0.4103-0.1376 ( 2075 PWs) bands (ev): -11.4838 -11.4838 -11.2311 -11.2311 -10.3951 -10.3951 -3.5212 -3.5212 -3.3020 -3.3020 -2.8516 -2.8516 -1.5991 -1.5991 -1.3563 -1.3563 -0.9415 -0.9415 2.1279 2.1279 2.9857 2.9857 3.6395 3.6395 4.0138 4.0138 4.6576 4.6576 5.4147 5.4147 5.4478 5.4478 6.4586 6.4586 6.5929 6.5929 6.9508 6.9508 8.3351 8.3351 8.3527 8.3527 k = 0.5130 0.4124-0.1261 ( 2073 PWs) bands (ev): -11.4835 -11.4835 -11.2238 -11.2238 -10.3949 -10.3949 -3.5183 -3.5183 -3.2981 -3.2981 -2.8537 -2.8537 -1.6078 -1.6078 -1.3668 -1.3668 -0.9470 -0.9470 1.9812 1.9812 2.9912 2.9912 3.7552 3.7552 4.0504 4.0504 4.6480 4.6480 5.4147 5.4147 5.4440 5.4440 6.4578 6.4578 6.6263 6.6263 6.9609 6.9609 8.3339 8.3339 8.3556 8.3556 k = 0.5155 0.4144-0.1145 ( 2075 PWs) bands (ev): -11.4831 -11.4831 -11.2149 -11.2149 -10.3946 -10.3946 -3.5148 -3.5148 -3.2933 -3.2933 -2.8563 -2.8563 -1.6183 -1.6183 -1.3795 -1.3795 -0.9536 -0.9536 1.8325 1.8325 2.9977 2.9977 3.8285 3.8285 4.1328 4.1328 4.6351 4.6351 5.4129 5.4129 5.4451 5.4451 6.4568 6.4568 6.6637 6.6637 6.9738 6.9738 8.3317 8.3317 8.3598 8.3598 k = 0.5181 0.4165-0.1029 ( 2079 PWs) bands (ev): -11.4829 -11.4829 -11.2043 -11.2043 -10.3943 -10.3943 -3.5108 -3.5108 -3.2875 -3.2875 -2.8594 -2.8594 -1.6309 -1.6309 -1.3945 -1.3945 -0.9614 -0.9614 1.6839 1.6839 3.0052 3.0052 3.8583 3.8583 4.2590 4.2590 4.6187 4.6187 5.4114 5.4114 5.4504 5.4504 6.4555 6.4555 6.7036 6.7036 6.9901 6.9901 8.3289 8.3289 8.3651 8.3651 k = 0.5207 0.4186-0.0913 ( 2077 PWs) bands (ev): -11.4827 -11.4827 -11.1921 -11.1921 -10.3940 -10.3940 -3.5062 -3.5062 -3.2809 -3.2809 -2.8630 -2.8630 -1.6453 -1.6453 -1.4116 -1.4116 -0.9702 -0.9702 1.5371 1.5371 3.0136 3.0136 3.8658 3.8658 4.4040 4.4040 4.6015 4.6015 5.4130 5.4130 5.4585 5.4585 6.4542 6.4542 6.7442 6.7442 7.0106 7.0106 8.3253 8.3253 8.3714 8.3714 k = 0.5233 0.4207-0.0797 ( 2075 PWs) bands (ev): -11.4826 -11.4826 -11.1782 -11.1782 -10.3936 -10.3936 -3.5011 -3.5011 -3.2732 -3.2732 -2.8670 -2.8670 -1.6618 -1.6618 -1.4307 -1.4307 -0.9800 -0.9800 1.3928 1.3928 3.0227 3.0227 3.8636 3.8636 4.5195 4.5195 4.6176 4.6176 5.4192 5.4192 5.4686 5.4686 6.4526 6.4526 6.7837 6.7837 7.0362 7.0362 8.3211 8.3211 8.3785 8.3785 k = 0.5259 0.4228-0.0681 ( 2075 PWs) bands (ev): -11.4828 -11.4828 -11.1627 -11.1627 -10.3932 -10.3932 -3.4957 -3.4957 -3.2646 -3.2646 -2.8717 -2.8717 -1.6803 -1.6803 -1.4517 -1.4517 -0.9909 -0.9909 1.2519 1.2519 3.0323 3.0323 3.8567 3.8567 4.5166 4.5166 4.7504 4.7504 5.4312 5.4312 5.4804 5.4804 6.4508 6.4508 6.8207 6.8207 7.0676 7.0676 8.3163 8.3163 8.3865 8.3865 k = 0.5285 0.4249-0.0565 ( 2077 PWs) bands (ev): -11.4831 -11.4831 -11.1456 -11.1456 -10.3928 -10.3928 -3.4899 -3.4899 -3.2549 -3.2549 -2.8770 -2.8770 -1.7010 -1.7010 -1.4744 -1.4744 -1.0027 -1.0027 1.1150 1.1150 3.0424 3.0424 3.8471 3.8471 4.4836 4.4836 4.9087 4.9087 5.4495 5.4495 5.4940 5.4940 6.4489 6.4489 6.8541 6.8541 7.1053 7.1053 8.3109 8.3109 8.3952 8.3952 k = 0.5311 0.4269-0.0449 ( 2081 PWs) bands (ev): -11.4836 -11.4836 -11.1270 -11.1270 -10.3923 -10.3923 -3.4838 -3.4838 -3.2442 -3.2442 -2.8830 -2.8830 -1.7241 -1.7241 -1.4987 -1.4987 -1.0154 -1.0154 0.9825 0.9825 3.0528 3.0528 3.8358 3.8358 4.4435 4.4435 5.0670 5.0670 5.4752 5.4752 5.5096 5.5096 6.4467 6.4467 6.8836 6.8836 7.1490 7.1490 8.3049 8.3049 8.4046 8.4046 k = 0.5337 0.4290-0.0333 ( 2079 PWs) bands (ev): -11.4843 -11.4843 -11.1069 -11.1069 -10.3919 -10.3919 -3.4774 -3.4774 -3.2325 -3.2325 -2.8896 -2.8896 -1.7494 -1.7494 -1.5240 -1.5240 -1.0289 -1.0289 0.8549 0.8549 3.0634 3.0634 3.8235 3.8235 4.3990 4.3990 5.2184 5.2184 5.5095 5.5095 5.5296 5.5296 6.4444 6.4444 6.9096 6.9096 7.1978 7.1978 8.2984 8.2984 8.4146 8.4146 k = 0.5363 0.4311-0.0217 ( 2089 PWs) bands (ev): -11.4853 -11.4853 -11.0855 -11.0855 -10.3914 -10.3914 -3.4707 -3.4707 -3.2198 -3.2198 -2.8969 -2.8969 -1.7774 -1.7774 -1.5505 -1.5505 -1.0432 -1.0432 0.7327 0.7327 3.0740 3.0740 3.8104 3.8104 4.3513 4.3513 5.3511 5.3511 5.5387 5.5387 5.5776 5.5776 6.4419 6.4419 6.9327 6.9327 7.2506 7.2506 8.2913 8.2913 8.4253 8.4253 k = 0.5389 0.4332-0.0101 ( 2089 PWs) bands (ev): -11.4866 -11.4866 -11.0626 -11.0626 -10.3910 -10.3910 -3.4639 -3.4639 -3.2060 -3.2060 -2.9048 -2.9048 -1.8081 -1.8081 -1.5773 -1.5773 -1.0583 -1.0583 0.6161 0.6161 3.0845 3.0845 3.7969 3.7969 4.3013 4.3013 5.4478 5.4478 5.5597 5.5597 5.6726 5.6726 6.4392 6.4392 6.9537 6.9537 7.3064 7.3064 8.2838 8.2838 8.4364 8.4364 k = 0.5415 0.4353 0.0015 ( 2090 PWs) bands (ev): -11.4882 -11.4882 -11.0385 -11.0385 -10.3905 -10.3905 -3.4569 -3.4569 -3.1914 -3.1914 -2.9135 -2.9135 -1.8414 -1.8414 -1.6043 -1.6043 -1.0741 -1.0741 0.5055 0.5055 3.0948 3.0948 3.7832 3.7832 4.2495 4.2495 5.5112 5.5112 5.5812 5.5812 5.8025 5.8025 6.4363 6.4363 6.9731 6.9731 7.3642 7.3642 8.2757 8.2757 8.4480 8.4480 k = 0.5441 0.4374 0.0130 ( 2090 PWs) bands (ev): -11.4900 -11.4900 -11.0133 -11.0133 -10.3901 -10.3901 -3.4498 -3.4498 -3.1758 -3.1758 -2.9229 -2.9229 -1.8775 -1.8775 -1.6313 -1.6313 -1.0906 -1.0906 0.4010 0.4010 3.1047 3.1047 3.7693 3.7693 4.1964 4.1964 5.5592 5.5592 5.6043 5.6043 5.9470 5.9470 6.4332 6.4332 6.9915 6.9915 7.4234 7.4234 8.2671 8.2671 8.4600 8.4600 k = 0.5466 0.4394 0.0246 ( 2090 PWs) bands (ev): -11.4922 -11.4922 -10.9870 -10.9870 -10.3897 -10.3897 -3.4425 -3.4425 -3.1597 -3.1597 -2.9329 -2.9329 -1.9162 -1.9162 -1.6578 -1.6578 -1.1077 -1.1077 0.3029 0.3029 3.1141 3.1141 3.7553 3.7553 4.1426 4.1426 5.6006 5.6006 5.6301 5.6301 6.0951 6.0951 6.4300 6.4300 7.0091 7.0091 7.4832 7.4832 8.2580 8.2580 8.4724 8.4724 k = 0.5492 0.4415 0.0362 ( 2090 PWs) bands (ev): -11.4946 -11.4946 -10.9597 -10.9597 -10.3894 -10.3894 -3.4352 -3.4352 -3.1431 -3.1431 -2.9433 -2.9433 -1.9573 -1.9573 -1.6836 -1.6836 -1.1254 -1.1254 0.2113 0.2113 3.1230 3.1230 3.7414 3.7414 4.0885 4.0885 5.6362 5.6362 5.6612 5.6612 6.2426 6.2426 6.4266 6.4266 7.0262 7.0262 7.5435 7.5435 8.2484 8.2484 8.4851 8.4851 k = 0.5518 0.4436 0.0478 ( 2089 PWs) bands (ev): -11.4974 -11.4974 -10.9317 -10.9317 -10.3891 -10.3891 -3.4278 -3.4278 -3.1267 -3.1267 -2.9539 -2.9539 -2.0004 -2.0004 -1.7088 -1.7088 -1.1437 -1.1437 0.1260 0.1260 3.1312 3.1312 3.7275 3.7275 4.0344 4.0344 5.6664 5.6664 5.6982 5.6982 6.3868 6.3868 6.4236 6.4236 7.0431 7.0431 7.6037 7.6037 8.2382 8.2382 8.4980 8.4980 k = 0.5544 0.4457 0.0594 ( 2087 PWs) bands (ev): -11.5005 -11.5005 -10.9029 -10.9029 -10.3889 -10.3889 -3.4204 -3.4204 -3.1113 -3.1113 -2.9637 -2.9637 -2.0449 -2.0449 -1.7331 -1.7331 -1.1625 -1.1625 0.0473 0.0473 3.1387 3.1387 3.7136 3.7136 3.9806 3.9806 5.6945 5.6945 5.7380 5.7380 6.4186 6.4186 6.5287 6.5287 7.0603 7.0603 7.6637 7.6637 8.2276 8.2276 8.5111 8.5111 k = 0.5570 0.4478 0.0710 ( 2091 PWs) bands (ev): -11.5039 -11.5039 -10.8736 -10.8736 -10.3887 -10.3887 -3.4130 -3.4130 -3.0987 -3.0987 -2.9712 -2.9712 -2.0903 -2.0903 -1.7566 -1.7566 -1.1819 -1.1819 -0.0252 -0.0252 3.1455 3.1455 3.6998 3.6998 3.9275 3.9275 5.7223 5.7223 5.7786 5.7786 6.4147 6.4147 6.6638 6.6638 7.0784 7.0784 7.7232 7.7232 8.2165 8.2165 8.5243 8.5243 k = 0.5596 0.4499 0.0826 ( 2092 PWs) bands (ev): -11.5077 -11.5077 -10.8439 -10.8439 -10.3886 -10.3886 -3.4057 -3.4057 -3.0915 -3.0915 -2.9738 -2.9738 -2.1360 -2.1360 -1.7791 -1.7791 -1.2017 -1.2017 -0.0915 -0.0915 3.1514 3.1514 3.6859 3.6859 3.8756 3.8756 5.7505 5.7505 5.8193 5.8193 6.4105 6.4105 6.7910 6.7910 7.0994 7.0994 7.7820 7.7820 8.2050 8.2050 8.5377 8.5377 k = 0.5622 0.4519 0.0942 ( 2094 PWs) bands (ev): -11.5118 -11.5118 -10.8139 -10.8139 -10.3886 -10.3886 -3.3984 -3.3984 -3.0923 -3.0923 -2.9690 -2.9690 -2.1811 -2.1811 -1.8006 -1.8006 -1.2221 -1.2221 -0.1518 -0.1518 3.1564 3.1564 3.6716 3.6716 3.8252 3.8252 5.7791 5.7791 5.8597 5.8597 6.4060 6.4060 6.9051 6.9051 7.1277 7.1277 7.8400 7.8400 8.1930 8.1930 8.5510 8.5510 k = 0.5648 0.4540 0.1058 ( 2095 PWs) bands (ev): -11.5163 -11.5163 -10.7839 -10.7839 -10.3887 -10.3887 -3.3912 -3.3912 -3.1014 -3.1014 -2.9565 -2.9565 -2.2252 -2.2252 -1.8213 -1.8213 -1.2430 -1.2430 -0.2063 -0.2063 3.1605 3.1605 3.6562 3.6562 3.7773 3.7773 5.8080 5.8080 5.8995 5.8995 6.4014 6.4014 6.9947 6.9947 7.1747 7.1747 7.8970 7.8970 8.1805 8.1805 8.5643 8.5643 k = 0.5674 0.4561 0.1174 ( 2090 PWs) bands (ev): -11.5212 -11.5212 -10.7538 -10.7538 -10.3889 -10.3889 -3.3843 -3.3843 -3.1166 -3.1166 -2.9382 -2.9382 -2.2675 -2.2675 -1.8409 -1.8409 -1.2643 -1.2643 -0.2553 -0.2553 3.1638 3.1638 3.6382 3.6382 3.7336 3.7336 5.8371 5.8371 5.9384 5.9384 6.3965 6.3965 7.0489 7.0489 7.2507 7.2507 7.9529 7.9529 8.1677 8.1677 8.5776 8.5776 k = 0.5700 0.4582 0.1290 ( 2084 PWs) bands (ev): -11.5264 -11.5264 -10.7240 -10.7240 -10.3891 -10.3891 -3.3777 -3.3777 -3.1357 -3.1357 -2.9162 -2.9162 -2.3075 -2.3075 -1.8595 -1.8595 -1.2860 -1.2860 -0.2991 -0.2991 3.1661 3.1661 3.6149 3.6149 3.6970 3.6970 5.8663 5.8663 5.9763 5.9763 6.3915 6.3915 7.0780 7.0780 7.3449 7.3449 8.0075 8.0075 8.1546 8.1546 8.5907 8.5907 k = 0.5726 0.4603 0.1406 ( 2082 PWs) bands (ev): -11.5320 -11.5320 -10.6945 -10.6945 -10.3896 -10.3896 -3.3717 -3.3717 -3.1571 -3.1571 -2.8918 -2.8918 -2.3449 -2.3449 -1.8771 -1.8771 -1.3081 -1.3081 -0.3378 -0.3378 3.1675 3.1675 3.5840 3.5840 3.6700 3.6700 5.8955 5.8955 6.0128 6.0128 6.3863 6.3863 7.0957 7.0957 7.4430 7.4430 8.0605 8.0605 8.1414 8.1414 8.6037 8.6037 k = 0.5751 0.4624 0.1521 ( 2080 PWs) bands (ev): -11.5380 -11.5380 -10.6656 -10.6656 -10.3901 -10.3901 -3.3667 -3.3667 -3.1795 -3.1795 -2.8658 -2.8658 -2.3793 -2.3793 -1.8938 -1.8938 -1.3307 -1.3307 -0.3718 -0.3718 3.1680 3.1680 3.5468 3.5468 3.6512 3.6512 5.9244 5.9244 6.0479 6.0479 6.3808 6.3808 7.1081 7.1081 7.5387 7.5387 8.1086 8.1086 8.1316 8.1316 8.6164 8.6164 k = 0.5751 0.4624 0.1521 ( 2080 PWs) bands (ev): -11.5380 -11.5380 -10.6656 -10.6656 -10.3901 -10.3901 -3.3667 -3.3667 -3.1795 -3.1795 -2.8658 -2.8658 -2.3793 -2.3793 -1.8938 -1.8938 -1.3307 -1.3307 -0.3718 -0.3718 3.1680 3.1680 3.5468 3.5468 3.6512 3.6512 5.9244 5.9244 6.0479 6.0479 6.3808 6.3808 7.1081 7.1081 7.5387 7.5387 8.1086 8.1086 8.1316 8.1316 8.6164 8.6164 k = 0.5707 0.4588 0.1630 ( 2081 PWs) bands (ev): -11.5458 -11.5458 -10.6312 -10.6312 -10.3836 -10.3836 -3.3834 -3.3834 -3.2048 -3.2048 -2.8338 -2.8338 -2.4139 -2.4139 -1.9107 -1.9107 -1.3629 -1.3629 -0.4104 -0.4104 3.1569 3.1569 3.4978 3.4978 3.6325 3.6325 5.9649 5.9649 6.0887 6.0887 6.3853 6.3853 7.1206 7.1206 7.6239 7.6239 8.1470 8.1470 8.1878 8.1878 8.6334 8.6334 k = 0.5663 0.4553 0.1738 ( 2083 PWs) bands (ev): -11.5532 -11.5532 -10.5980 -10.5980 -10.3775 -10.3775 -3.3999 -3.3999 -3.2295 -3.2295 -2.7998 -2.7998 -2.4469 -2.4469 -1.9268 -1.9268 -1.3965 -1.3965 -0.4464 -0.4464 3.1461 3.1461 3.4493 3.4493 3.6171 3.6171 6.0039 6.0039 6.1275 6.1275 6.3895 6.3895 7.1321 7.1321 7.7056 7.7056 8.1706 8.1706 8.2550 8.2550 8.6502 8.6502 k = 0.5619 0.4517 0.1846 ( 2083 PWs) bands (ev): -11.5601 -11.5601 -10.5664 -10.5664 -10.3715 -10.3715 -3.4159 -3.4159 -3.2531 -3.2531 -2.7640 -2.7640 -2.4782 -2.4782 -1.9423 -1.9423 -1.4314 -1.4314 -0.4798 -0.4798 3.1355 3.1355 3.4027 3.4027 3.6038 3.6038 6.0411 6.0411 6.1644 6.1644 6.3934 6.3934 7.1428 7.1429 7.7836 7.7836 8.1924 8.1924 8.3199 8.3199 8.6665 8.6665 k = 0.5575 0.4481 0.1954 ( 2079 PWs) bands (ev): -11.5667 -11.5667 -10.5364 -10.5364 -10.3659 -10.3659 -3.4316 -3.4316 -3.2756 -3.2756 -2.7267 -2.7267 -2.5075 -2.5075 -1.9571 -1.9571 -1.4673 -1.4673 -0.5107 -0.5107 3.1251 3.1251 3.3588 3.3588 3.5921 3.5921 6.0764 6.0764 6.1991 6.1991 6.3971 6.3971 7.1529 7.1529 7.8575 7.8575 8.2130 8.2130 8.3817 8.3817 8.6823 8.6823 k = 0.5530 0.4446 0.2063 ( 2079 PWs) bands (ev): -11.5728 -11.5728 -10.5081 -10.5081 -10.3606 -10.3606 -3.4467 -3.4467 -3.2968 -3.2968 -2.6883 -2.6883 -2.5347 -2.5347 -1.9713 -1.9713 -1.5044 -1.5044 -0.5391 -0.5391 3.1151 3.1151 3.3179 3.3179 3.5816 3.5816 6.1096 6.1096 6.2317 6.2317 6.4006 6.4006 7.1622 7.1622 7.9268 7.9268 8.2324 8.2324 8.4400 8.4400 8.6974 8.6974 k = 0.5486 0.4410 0.2171 ( 2077 PWs) bands (ev): -11.5784 -11.5784 -10.4817 -10.4817 -10.3555 -10.3555 -3.4613 -3.4613 -3.3166 -3.3166 -2.6495 -2.6495 -2.5591 -2.5591 -1.9850 -1.9850 -1.5422 -1.5422 -0.5651 -0.5651 3.1053 3.1053 3.2802 3.2802 3.5722 3.5722 6.1405 6.1405 6.2621 6.2621 6.4039 6.4039 7.1709 7.1709 7.9915 7.9915 8.2508 8.2508 8.4945 8.4945 8.7118 8.7118 k = 0.5442 0.4375 0.2279 ( 2077 PWs) bands (ev): -11.5836 -11.5836 -10.4572 -10.4572 -10.3507 -10.3507 -3.4752 -3.4752 -3.3347 -3.3347 -2.6145 -2.6145 -2.5765 -2.5765 -1.9982 -1.9982 -1.5805 -1.5805 -0.5887 -0.5887 3.0958 3.0958 3.2461 3.2461 3.5638 3.5638 6.1690 6.1690 6.2900 6.2900 6.4070 6.4070 7.1789 7.1789 8.0513 8.0513 8.2679 8.2679 8.5451 8.5451 8.7253 8.7253 k = 0.5398 0.4339 0.2387 ( 2073 PWs) bands (ev): -11.5883 -11.5883 -10.4349 -10.4349 -10.3462 -10.3462 -3.4884 -3.4884 -3.3512 -3.3512 -2.6127 -2.6127 -2.5577 -2.5577 -2.0110 -2.0110 -1.6191 -1.6191 -0.6100 -0.6100 3.0865 3.0865 3.2155 3.2155 3.5564 3.5564 6.1949 6.1949 6.3155 6.3155 6.4100 6.4100 7.1863 7.1863 8.1058 8.1058 8.2839 8.2839 8.5914 8.5914 8.7379 8.7379 k = 0.5354 0.4304 0.2496 ( 2069 PWs) bands (ev): -11.5925 -11.5925 -10.4148 -10.4148 -10.3420 -10.3420 -3.5006 -3.5006 -3.3660 -3.3660 -2.6291 -2.6291 -2.5179 -2.5179 -2.0238 -2.0238 -1.6576 -1.6576 -0.6289 -0.6289 3.0774 3.0774 3.1888 3.1888 3.5498 3.5498 6.2181 6.2181 6.3386 6.3386 6.4129 6.4129 7.1930 7.1930 8.1550 8.1550 8.2987 8.2987 8.6334 8.6334 8.7495 8.7495 k = 0.5309 0.4268 0.2604 ( 2065 PWs) bands (ev): -11.5962 -11.5962 -10.3972 -10.3972 -10.3379 -10.3379 -3.5119 -3.5119 -3.3789 -3.3789 -2.6453 -2.6453 -2.4756 -2.4756 -2.0368 -2.0368 -1.6953 -1.6953 -0.6455 -0.6455 3.0684 3.0684 3.1661 3.1661 3.5440 3.5440 6.2385 6.2385 6.3591 6.3591 6.4157 6.4157 7.1989 7.1989 8.1985 8.1985 8.3123 8.3123 8.6708 8.6708 8.7599 8.7599 k = 0.5265 0.4233 0.2712 ( 2072 PWs) bands (ev): -11.5995 -11.5995 -10.3822 -10.3822 -10.3339 -10.3339 -3.5222 -3.5222 -3.3902 -3.3902 -2.6597 -2.6597 -2.4327 -2.4327 -2.0505 -2.0505 -1.7317 -1.7317 -0.6599 -0.6599 3.0596 3.0596 3.1473 3.1473 3.5391 3.5391 6.2561 6.2561 6.3769 6.3769 6.4183 6.4183 7.2041 7.2041 8.2358 8.2358 8.3247 8.3247 8.7035 8.7035 8.7691 8.7691 k = 0.5221 0.4197 0.2820 ( 2072 PWs) bands (ev): -11.6022 -11.6022 -10.3699 -10.3699 -10.3299 -10.3299 -3.5311 -3.5311 -3.3997 -3.3997 -2.6720 -2.6720 -2.3896 -2.3896 -2.0655 -2.0655 -1.7656 -1.7656 -0.6720 -0.6720 3.0511 3.0511 3.1323 3.1323 3.5349 3.5349 6.2708 6.2708 6.3921 6.3921 6.4208 6.4208 7.2086 7.2086 8.2667 8.2667 8.3362 8.3362 8.7315 8.7315 8.7770 8.7770 k = 0.5177 0.4162 0.2929 ( 2078 PWs) bands (ev): -11.6045 -11.6045 -10.3605 -10.3605 -10.3259 -10.3259 -3.5386 -3.5386 -3.4074 -3.4074 -2.6822 -2.6822 -2.3470 -2.3470 -2.0827 -2.0827 -1.7960 -1.7960 -0.6819 -0.6819 3.0432 3.0432 3.1208 3.1208 3.5316 3.5316 6.2827 6.2827 6.4046 6.4046 6.4230 6.4230 7.2122 7.2122 8.2910 8.2910 8.3469 8.3469 8.7545 8.7545 8.7836 8.7836 k = 0.5133 0.4126 0.3037 ( 2076 PWs) bands (ev): -11.6063 -11.6063 -10.3537 -10.3537 -10.3222 -10.3222 -3.5446 -3.5446 -3.4134 -3.4134 -2.6901 -2.6901 -2.3052 -2.3052 -2.1026 -2.1026 -1.8215 -1.8215 -0.6895 -0.6895 3.0366 3.0366 3.1125 3.1125 3.5290 3.5290 6.2919 6.2919 6.4143 6.4143 6.4249 6.4249 7.2151 7.2151 8.3086 8.3086 8.3567 8.3567 8.7725 8.7725 8.7888 8.7888 k = 0.5088 0.4091 0.3145 ( 2082 PWs) bands (ev): -11.6075 -11.6075 -10.3494 -10.3494 -10.3190 -10.3190 -3.5491 -3.5491 -3.4177 -3.4177 -2.6959 -2.6959 -2.2651 -2.2651 -2.1262 -2.1262 -1.8407 -1.8407 -0.6950 -0.6950 3.0314 3.0314 3.1069 3.1069 3.5271 3.5271 6.2983 6.2983 6.4213 6.4213 6.4263 6.4263 7.2172 7.2172 8.3200 8.3200 8.3648 8.3648 8.7854 8.7854 8.7925 8.7925 k = 0.5044 0.4055 0.3253 ( 2086 PWs) bands (ev): -11.6083 -11.6083 -10.3470 -10.3470 -10.3169 -10.3169 -3.5517 -3.5517 -3.4202 -3.4202 -2.6993 -2.6993 -2.2280 -2.2280 -2.1530 -2.1530 -1.8528 -1.8528 -0.6983 -0.6983 3.0282 3.0282 3.1037 3.1037 3.5260 3.5260 6.3022 6.3022 6.4255 6.4255 6.4272 6.4272 7.2184 7.2184 8.3263 8.3263 8.3703 8.3703 8.7931 8.7931 8.7948 8.7948 k = 0.5000 0.4019 0.3362 ( 2082 PWs) bands (ev): -11.6086 -11.6086 -10.3462 -10.3462 -10.3162 -10.3162 -3.5526 -3.5526 -3.4210 -3.4210 -2.7004 -2.7004 -2.2042 -2.2042 -2.1732 -2.1732 -1.8568 -1.8568 -0.6993 -0.6993 3.0271 3.0271 3.1026 3.1026 3.5256 3.5256 6.3034 6.3034 6.4269 6.4269 6.4275 6.4275 7.2188 7.2188 8.3284 8.3284 8.3724 8.3724 8.7952 8.7952 8.7960 8.7960 k = 0.5000-0.1100-0.0920 ( 2078 PWs) bands (ev): -11.9879 -11.9879 -10.9603 -10.9603 -10.9270 -10.9270 -3.1751 -3.1751 -2.7944 -2.7944 -1.6981 -1.6981 -1.5156 -1.5156 -1.1328 -1.1328 0.4711 0.4711 1.8726 1.8726 2.7569 2.7569 4.0150 4.0150 4.2481 4.2481 4.8210 4.8210 4.9300 4.9300 5.2759 5.2759 5.4392 5.4392 6.2569 6.2569 6.3654 6.3654 6.6274 6.6274 8.3588 8.3588 k = 0.5034-0.1009-0.0844 ( 2078 PWs) bands (ev): -11.9873 -11.9873 -10.9598 -10.9598 -10.9269 -10.9269 -3.1750 -3.1750 -2.7950 -2.7950 -1.6981 -1.6981 -1.5162 -1.5162 -1.1332 -1.1332 0.4619 0.4619 1.8700 1.8700 2.7668 2.7668 4.0134 4.0134 4.2420 4.2420 4.8229 4.8229 4.9274 4.9274 5.2811 5.2811 5.4440 5.4440 6.2577 6.2577 6.3661 6.3661 6.6288 6.6288 8.3590 8.3590 k = 0.5068-0.0917-0.0767 ( 2076 PWs) bands (ev): -11.9856 -11.9856 -10.9584 -10.9584 -10.9266 -10.9266 -3.1747 -3.1747 -2.7965 -2.7965 -1.6984 -1.6984 -1.5180 -1.5180 -1.1346 -1.1346 0.4349 0.4349 1.8623 1.8623 2.7961 2.7961 4.0088 4.0088 4.2243 4.2243 4.8286 4.8286 4.9201 4.9201 5.2947 5.2947 5.4594 5.4594 6.2599 6.2599 6.3681 6.3681 6.6330 6.6330 8.3596 8.3596 k = 0.5102-0.0826-0.0691 ( 2080 PWs) bands (ev): -11.9828 -11.9828 -10.9561 -10.9561 -10.9262 -10.9262 -3.1743 -3.1743 -2.7990 -2.7990 -1.6990 -1.6990 -1.5212 -1.5212 -1.1369 -1.1369 0.3913 0.3913 1.8493 1.8493 2.8434 2.8434 4.0012 4.0012 4.1968 4.1968 4.8379 4.8379 4.9090 4.9090 5.3123 5.3123 5.4871 5.4871 6.2636 6.2636 6.3714 6.3714 6.6400 6.6400 8.3606 8.3606 k = 0.5137-0.0735-0.0614 ( 2086 PWs) bands (ev): -11.9788 -11.9788 -10.9529 -10.9529 -10.9255 -10.9255 -3.1737 -3.1737 -2.8025 -2.8025 -1.6998 -1.6998 -1.5257 -1.5257 -1.1399 -1.1399 0.3330 0.3330 1.8311 1.8311 2.9067 2.9067 3.9909 3.9909 4.1617 4.1617 4.8505 4.8505 4.8947 4.8947 5.3297 5.3297 5.5284 5.5284 6.2687 6.2687 6.3760 6.3760 6.6498 6.6498 8.3620 8.3620 k = 0.5171-0.0643-0.0538 ( 2084 PWs) bands (ev): -11.9737 -11.9737 -10.9487 -10.9487 -10.9247 -10.9247 -3.1730 -3.1730 -2.8069 -2.8069 -1.7009 -1.7009 -1.5317 -1.5317 -1.1436 -1.1436 0.2627 0.2627 1.8076 1.8076 2.9838 2.9838 3.9782 3.9782 4.1215 4.1215 4.8661 4.8661 4.8782 4.8782 5.3452 5.3452 5.5821 5.5821 6.2754 6.2754 6.3818 6.3818 6.6623 6.6623 8.3638 8.3638 k = 0.5205-0.0552-0.0462 ( 2082 PWs) bands (ev): -11.9676 -11.9676 -10.9437 -10.9437 -10.9236 -10.9236 -3.1720 -3.1720 -2.8122 -2.8122 -1.7024 -1.7024 -1.5392 -1.5392 -1.1479 -1.1479 0.1824 0.1824 1.7787 1.7787 3.0725 3.0725 3.9633 3.9633 4.0783 4.0783 4.8587 4.8587 4.8853 4.8853 5.3590 5.3590 5.6456 5.6456 6.2836 6.2836 6.3889 6.3889 6.6776 6.6776 8.3659 8.3659 k = 0.5239-0.0461-0.0385 ( 2084 PWs) bands (ev): -11.9604 -11.9604 -10.9379 -10.9379 -10.9223 -10.9223 -3.1710 -3.1710 -2.8182 -2.8182 -1.7044 -1.7044 -1.5485 -1.5485 -1.1524 -1.1524 0.0940 0.0940 1.7446 1.7446 3.1707 3.1707 3.9466 3.9466 4.0340 4.0340 4.8377 4.8377 4.9065 4.9065 5.3717 5.3717 5.7163 5.7163 6.2932 6.2932 6.3973 6.3973 6.6955 6.6955 8.3685 8.3685 k = 0.5273-0.0369-0.0309 ( 2081 PWs) bands (ev): -11.9521 -11.9521 -10.9314 -10.9314 -10.9205 -10.9205 -3.1698 -3.1698 -2.8249 -2.8249 -1.7070 -1.7070 -1.5595 -1.5595 -1.1572 -1.1572 -0.0005 -0.0005 1.7052 1.7052 3.2765 3.2765 3.9282 3.9282 3.9901 3.9901 4.8146 4.8146 4.9300 4.9300 5.3840 5.3840 5.7918 5.7918 6.3044 6.3044 6.4069 6.4069 6.7159 6.7159 8.3714 8.3714 k = 0.5307-0.0278-0.0232 ( 2080 PWs) bands (ev): -11.9428 -11.9428 -10.9249 -10.9249 -10.9176 -10.9176 -3.1684 -3.1684 -2.8321 -2.8321 -1.7101 -1.7101 -1.5725 -1.5725 -1.1619 -1.1619 -0.0997 -0.0997 1.6606 1.6606 3.3882 3.3882 3.9086 3.9086 3.9478 3.9478 4.7896 4.7896 4.9555 4.9555 5.3963 5.3963 5.8704 5.8704 6.3171 6.3171 6.4179 6.4179 6.7389 6.7389 8.3747 8.3747 k = 0.5342-0.0187-0.0156 ( 2079 PWs) bands (ev): -11.9326 -11.9326 -10.9204 -10.9204 -10.9117 -10.9117 -3.1670 -3.1670 -2.8398 -2.8398 -1.7140 -1.7140 -1.5875 -1.5875 -1.1666 -1.1666 -0.2023 -0.2023 1.6112 1.6112 3.5043 3.5043 3.8877 3.8877 3.9084 3.9084 4.7627 4.7627 4.9827 4.9827 5.4089 5.4089 5.9510 5.9510 6.3314 6.3314 6.4304 6.4304 6.7641 6.7641 8.3783 8.3783 k = 0.5376-0.0095-0.0080 ( 2077 PWs) bands (ev): -11.9214 -11.9214 -10.9177 -10.9177 -10.9031 -10.9031 -3.1654 -3.1654 -2.8480 -2.8480 -1.7187 -1.7187 -1.6044 -1.6044 -1.1712 -1.1712 -0.3070 -0.3070 1.5570 1.5570 3.6226 3.6226 3.8632 3.8632 3.8760 3.8760 4.7342 4.7342 5.0115 5.0115 5.4219 5.4219 6.0323 6.0323 6.3473 6.3473 6.4445 6.4445 6.7915 6.7915 8.3823 8.3823 k = 0.5410-0.0004-0.0003 ( 2077 PWs) bands (ev): -11.9094 -11.9094 -10.9152 -10.9152 -10.8931 -10.8931 -3.1638 -3.1638 -2.8564 -2.8564 -1.7247 -1.7247 -1.6232 -1.6232 -1.1759 -1.1759 -0.4129 -0.4129 1.4985 1.4985 3.7366 3.7366 3.8327 3.8327 3.8589 3.8589 4.7040 4.7040 5.0416 5.0416 5.4353 5.4353 6.1136 6.1136 6.3649 6.3649 6.4603 6.4603 6.8209 6.8209 8.3866 8.3866 k = 0.5444 0.0087 0.0073 ( 2079 PWs) bands (ev): -11.8965 -11.8965 -10.9128 -10.9128 -10.8821 -10.8821 -3.1621 -3.1621 -2.8649 -2.8649 -1.7323 -1.7323 -1.6434 -1.6434 -1.1807 -1.1807 -0.5190 -0.5190 1.4361 1.4361 3.7909 3.7909 3.8078 3.8078 3.9007 3.9007 4.6724 4.6724 5.0728 5.0728 5.4492 5.4492 6.1937 6.1937 6.3842 6.3842 6.4783 6.4783 6.8522 6.8522 8.3913 8.3913 k = 0.5478 0.0179 0.0150 ( 2083 PWs) bands (ev): -11.8828 -11.8828 -10.9101 -10.9101 -10.8703 -10.8703 -3.1604 -3.1604 -2.8736 -2.8736 -1.7422 -1.7422 -1.6644 -1.6644 -1.1861 -1.1861 -0.6242 -0.6242 1.3700 1.3700 3.7698 3.7698 3.7903 3.7903 4.0144 4.0144 4.6396 4.6396 5.1051 5.1051 5.4635 5.4635 6.2718 6.2718 6.4053 6.4053 6.4991 6.4991 6.8852 6.8852 8.3962 8.3962 k = 0.5512 0.0270 0.0226 ( 2083 PWs) bands (ev): -11.8684 -11.8684 -10.9073 -10.9073 -10.8578 -10.8578 -3.1587 -3.1587 -2.8822 -2.8822 -1.7558 -1.7558 -1.6849 -1.6849 -1.1928 -1.1928 -0.7272 -0.7272 1.3008 1.3008 3.7453 3.7453 3.7691 3.7691 4.1384 4.1384 4.6057 4.6057 5.1383 5.1383 5.4783 5.4783 6.3459 6.3459 6.4286 6.4286 6.5237 6.5237 6.9197 6.9197 8.4015 8.4015 k = 0.5547 0.0362 0.0302 ( 2083 PWs) bands (ev): -11.8534 -11.8534 -10.9043 -10.9043 -10.8445 -10.8445 -3.1569 -3.1569 -2.8908 -2.8908 -1.7744 -1.7744 -1.7033 -1.7033 -1.2021 -1.2021 -0.8263 -0.8263 1.2289 1.2289 3.7230 3.7230 3.7468 3.7468 4.2637 4.2637 4.5711 4.5711 5.1725 5.1725 5.4935 5.4935 6.4130 6.4130 6.4545 6.4545 6.5546 6.5546 6.9555 6.9555 8.4070 8.4070 k = 0.5581 0.0453 0.0379 ( 2082 PWs) bands (ev): -11.8377 -11.8377 -10.9010 -10.9010 -10.8305 -10.8305 -3.1552 -3.1552 -2.8991 -2.8991 -1.7990 -1.7990 -1.7190 -1.7190 -1.2166 -1.2166 -0.9183 -0.9183 1.1548 1.1548 3.7028 3.7028 3.7245 3.7245 4.3870 4.3870 4.5373 4.5373 5.2075 5.2075 5.5093 5.5093 6.4663 6.4663 6.4859 6.4859 6.5953 6.5953 6.9926 6.9926 8.4129 8.4129 k = 0.5615 0.0544 0.0455 ( 2082 PWs) bands (ev): -11.8216 -11.8216 -10.8974 -10.8974 -10.8158 -10.8158 -3.1536 -3.1536 -2.9072 -2.9072 -1.8291 -1.8291 -1.7324 -1.7324 -1.2415 -1.2415 -0.9976 -0.9976 1.0791 1.0791 3.6839 3.6839 3.7034 3.7034 4.4773 4.4773 4.5344 4.5344 5.2435 5.2435 5.5255 5.5255 6.5029 6.5029 6.5238 6.5238 6.6478 6.6478 7.0309 7.0309 8.4189 8.4189 k = 0.5649 0.0636 0.0532 ( 2080 PWs) bands (ev): -11.8050 -11.8050 -10.8936 -10.8936 -10.8006 -10.8006 -3.1520 -3.1520 -2.9149 -2.9149 -1.8639 -1.8639 -1.7446 -1.7446 -1.2835 -1.2835 -1.0570 -1.0570 1.0022 1.0022 3.6647 3.6647 3.6848 3.6848 4.4536 4.4536 4.6427 4.6427 5.2805 5.2805 5.5423 5.5423 6.5356 6.5356 6.5585 6.5585 6.7084 6.7084 7.0701 7.0701 8.4252 8.4252 k = 0.5683 0.0727 0.0608 ( 2080 PWs) bands (ev): -11.7881 -11.7881 -10.8894 -10.8894 -10.7848 -10.7848 -3.1507 -3.1507 -2.9223 -2.9223 -1.9027 -1.9027 -1.7564 -1.7564 -1.3443 -1.3443 -1.0941 -1.0941 0.9245 0.9245 3.6439 3.6439 3.6699 3.6699 4.4169 4.4169 4.7604 4.7604 5.3189 5.3189 5.5596 5.5596 6.5697 6.5697 6.5898 6.5898 6.7722 6.7722 7.1102 7.1102 8.4318 8.4318 k = 0.5717 0.0818 0.0684 ( 2079 PWs) bands (ev): -11.7709 -11.7709 -10.8849 -10.8849 -10.7685 -10.7685 -3.1495 -3.1495 -2.9291 -2.9291 -1.9453 -1.9453 -1.7687 -1.7687 -1.4166 -1.4166 -1.1154 -1.1154 0.8466 0.8466 3.6219 3.6219 3.6584 3.6584 4.3787 4.3787 4.8750 4.8750 5.3589 5.3589 5.5774 5.5774 6.6059 6.6059 6.6197 6.6197 6.8363 6.8363 7.1511 7.1511 8.4385 8.4385 k = 0.5751 0.0910 0.0761 ( 2079 PWs) bands (ev): -11.7536 -11.7536 -10.8801 -10.8801 -10.7517 -10.7517 -3.1485 -3.1485 -2.9355 -2.9355 -1.9916 -1.9916 -1.7823 -1.7823 -1.4919 -1.4919 -1.1282 -1.1282 0.7687 0.7687 3.5994 3.5994 3.6492 3.6492 4.3399 4.3399 4.9845 4.9845 5.4013 5.4013 5.5958 5.5958 6.6432 6.6432 6.6508 6.6508 6.8990 6.8990 7.1927 7.1927 8.4455 8.4455 k = 0.5786 0.1001 0.0837 ( 2085 PWs) bands (ev): -11.7363 -11.7363 -10.8749 -10.8749 -10.7345 -10.7345 -3.1478 -3.1478 -2.9414 -2.9414 -2.0420 -2.0420 -1.7982 -1.7982 -1.5645 -1.5645 -1.1368 -1.1368 0.6914 0.6914 3.5767 3.5767 3.6417 3.6417 4.3008 4.3008 5.0870 5.0870 5.4468 5.4468 5.6147 5.6147 6.6752 6.6752 6.6902 6.6902 6.9595 6.9595 7.2350 7.2351 8.4526 8.4526 k = 0.5820 0.1092 0.0914 ( 2085 PWs) bands (ev): -11.7190 -11.7190 -10.8693 -10.8693 -10.7169 -10.7169 -3.1474 -3.1474 -2.9467 -2.9467 -2.0964 -2.0964 -1.8183 -1.8183 -1.6296 -1.6296 -1.1435 -1.1435 0.6149 0.6149 3.5540 3.5540 3.6357 3.6357 4.2615 4.2615 5.1807 5.1807 5.4968 5.4968 5.6342 5.6342 6.7046 6.7046 6.7357 6.7357 7.0176 7.0176 7.2780 7.2780 8.4599 8.4599 k = 0.5854 0.1184 0.0990 ( 2089 PWs) bands (ev): -11.7018 -11.7018 -10.8632 -10.8632 -10.6991 -10.6991 -3.1473 -3.1473 -2.9514 -2.9514 -2.1550 -2.1550 -1.8450 -1.8450 -1.6834 -1.6834 -1.1492 -1.1492 0.5397 0.5397 3.5316 3.5316 3.6308 3.6308 4.2223 4.2223 5.2639 5.2639 5.5522 5.5522 5.6544 5.6544 6.7335 6.7335 6.7854 6.7854 7.0726 7.0726 7.3214 7.3214 8.4673 8.4673 k = 0.5888 0.1275 0.1066 ( 2089 PWs) bands (ev): -11.6850 -11.6850 -10.8567 -10.8567 -10.6809 -10.6809 -3.1475 -3.1475 -2.9556 -2.9556 -2.2174 -2.2174 -1.8798 -1.8798 -1.7236 -1.7236 -1.1546 -1.1546 0.4660 0.4660 3.5093 3.5093 3.6269 3.6269 4.1832 4.1832 5.3356 5.3356 5.6132 5.6132 5.6752 5.6752 6.7622 6.7622 6.8392 6.8392 7.1246 7.1246 7.3654 7.3654 8.4748 8.4748 k = 0.5922 0.1366 0.1143 ( 2087 PWs) bands (ev): -11.6685 -11.6685 -10.8497 -10.8497 -10.6626 -10.6626 -3.1482 -3.1482 -2.9593 -2.9593 -2.2831 -2.2831 -1.9211 -1.9211 -1.7518 -1.7518 -1.1601 -1.1601 0.3942 0.3942 3.4874 3.4874 3.6238 3.6238 4.1444 4.1444 5.3966 5.3966 5.6776 5.6776 5.6978 5.6978 6.7907 6.7907 6.8971 6.8971 7.1735 7.1735 7.4097 7.4097 8.4825 8.4825 k = 0.5956 0.1458 0.1219 ( 2092 PWs) bands (ev): -11.6526 -11.6526 -10.8422 -10.8422 -10.6442 -10.6442 -3.1494 -3.1494 -2.9625 -2.9625 -2.3513 -2.3513 -1.9650 -1.9650 -1.7721 -1.7721 -1.1659 -1.1659 0.3244 0.3244 3.4657 3.4657 3.6212 3.6212 4.1060 4.1060 5.4487 5.4487 5.7163 5.7163 5.7487 5.7487 6.8189 6.8189 6.9593 6.9593 7.2190 7.2190 7.4543 7.4543 8.4902 8.4902 k = 0.5991 0.1549 0.1296 ( 2094 PWs) bands (ev): -11.6373 -11.6373 -10.8342 -10.8342 -10.6257 -10.6257 -3.1511 -3.1511 -2.9653 -2.9653 -2.4209 -2.4209 -2.0087 -2.0087 -1.7876 -1.7876 -1.1720 -1.1720 0.2570 0.2570 3.4444 3.4444 3.6191 3.6191 4.0681 4.0681 5.4943 5.4943 5.7390 5.7390 5.8156 5.8156 6.8465 6.8465 7.0255 7.0255 7.2614 7.2614 7.4991 7.4991 8.4981 8.4981 k = 0.6025 0.1640 0.1372 ( 2095 PWs) bands (ev): -11.6227 -11.6227 -10.8257 -10.8257 -10.6072 -10.6072 -3.1533 -3.1533 -2.9679 -2.9679 -2.4907 -2.4907 -2.0507 -2.0507 -1.8004 -1.8004 -1.1786 -1.1786 0.1922 0.1922 3.4234 3.4234 3.6173 3.6173 4.0308 4.0308 5.5352 5.5352 5.7616 5.7616 5.8806 5.8806 6.8734 6.8734 7.0955 7.0955 7.3005 7.3005 7.5439 7.5439 8.5060 8.5060 k = 0.6059 0.1732 0.1448 ( 2094 PWs) bands (ev): -11.6089 -11.6089 -10.8166 -10.8166 -10.5888 -10.5888 -3.1561 -3.1561 -2.9705 -2.9705 -2.5597 -2.5597 -2.0904 -2.0904 -1.8115 -1.8115 -1.1858 -1.1858 0.1300 0.1300 3.4027 3.4027 3.6158 3.6158 3.9942 3.9942 5.5728 5.5728 5.7843 5.7843 5.9420 5.9420 6.8995 6.8995 7.1688 7.1688 7.3367 7.3367 7.5885 7.5885 8.5139 8.5139 k = 0.6093 0.1823 0.1525 ( 2094 PWs) bands (ev): -11.5961 -11.5961 -10.8070 -10.8070 -10.5705 -10.5705 -3.1597 -3.1597 -2.9734 -2.9734 -2.6268 -2.6268 -2.1276 -2.1276 -1.8215 -1.8215 -1.1936 -1.1936 0.0708 0.0708 3.3825 3.3825 3.6143 3.6143 3.9584 3.9584 5.6079 5.6079 5.8072 5.8072 5.9992 5.9992 6.9247 6.9247 7.2445 7.2445 7.3703 7.3703 7.6329 7.6329 8.5219 8.5219 k = 0.6127 0.1914 0.1601 ( 2092 PWs) bands (ev): -11.5844 -11.5844 -10.7968 -10.7968 -10.5525 -10.5525 -3.1640 -3.1640 -2.9772 -2.9772 -2.6906 -2.6906 -2.1623 -2.1623 -1.8306 -1.8306 -1.2019 -1.2019 0.0146 0.0146 3.3625 3.3625 3.6129 3.6129 3.9236 3.9236 5.6410 5.6410 5.8302 5.8302 6.0518 6.0518 6.9487 6.9487 7.3213 7.3213 7.4021 7.4021 7.6770 7.6770 8.5299 8.5299 k = 0.6161 0.2006 0.1678 ( 2095 PWs) bands (ev): -11.5737 -11.5737 -10.7862 -10.7862 -10.5348 -10.5348 -3.1693 -3.1693 -2.9833 -2.9833 -2.7494 -2.7494 -2.1946 -2.1946 -1.8390 -1.8390 -1.2109 -1.2109 -0.0383 -0.0383 3.3430 3.3430 3.6114 3.6114 3.8897 3.8897 5.6724 5.6724 5.8531 5.8531 6.0998 6.0998 6.9714 6.9714 7.3933 7.3933 7.4370 7.4370 7.7205 7.7205 8.5379 8.5379 k = 0.6196 0.2097 0.1754 ( 2095 PWs) bands (ev): -11.5642 -11.5642 -10.7751 -10.7751 -10.5174 -10.5174 -3.1758 -3.1758 -2.9934 -2.9934 -2.8004 -2.8004 -2.2242 -2.2242 -1.8468 -1.8468 -1.2204 -1.2204 -0.0880 -0.0880 3.3238 3.3238 3.6098 3.6098 3.8569 3.8569 5.7025 5.7025 5.8759 5.8759 6.1435 6.1435 6.9928 6.9928 7.4388 7.4388 7.4963 7.4963 7.7634 7.7634 8.5459 8.5459 k = 0.6230 0.2189 0.1830 ( 2091 PWs) bands (ev): -11.5560 -11.5560 -10.7636 -10.7636 -10.5005 -10.5005 -3.1837 -3.1837 -3.0103 -3.0103 -2.8403 -2.8403 -2.2513 -2.2513 -1.8541 -1.8541 -1.2305 -1.2305 -0.1342 -0.1342 3.3050 3.3050 3.6078 3.6078 3.8253 3.8253 5.7313 5.7313 5.8983 5.8983 6.1830 6.1830 7.0126 7.0126 7.4642 7.4642 7.5727 7.5727 7.8057 7.8057 8.5539 8.5539 k = 0.6264 0.2280 0.1907 ( 2084 PWs) bands (ev): -11.5490 -11.5490 -10.7517 -10.7517 -10.4841 -10.4841 -3.1937 -3.1937 -3.0355 -3.0355 -2.8667 -2.8667 -2.2759 -2.2759 -1.8607 -1.8607 -1.2411 -1.2411 -0.1769 -0.1769 3.2866 3.2866 3.6054 3.6054 3.7952 3.7952 5.7590 5.7590 5.9203 5.9203 6.2186 6.2186 7.0309 7.0309 7.4839 7.4839 7.6511 7.6511 7.8473 7.8473 8.5619 8.5619 k = 0.6298 0.2371 0.1983 ( 2088 PWs) bands (ev): -11.5434 -11.5434 -10.7395 -10.7395 -10.4683 -10.4683 -3.2067 -3.2067 -3.0665 -3.0665 -2.8810 -2.8810 -2.2980 -2.2980 -1.8669 -1.8669 -1.2525 -1.2525 -0.2160 -0.2160 3.2686 3.2686 3.6023 3.6023 3.7665 3.7665 5.7857 5.7857 5.9417 5.9417 6.2506 6.2506 7.0474 7.0474 7.5000 7.5000 7.7285 7.7285 7.8881 7.8881 8.5699 8.5699 k = 0.6332 0.2463 0.2059 ( 2087 PWs) bands (ev): -11.5391 -11.5391 -10.7271 -10.7271 -10.4532 -10.4532 -3.2239 -3.2239 -3.0977 -3.0977 -2.8869 -2.8869 -2.3176 -2.3176 -1.8727 -1.8727 -1.2643 -1.2643 -0.2514 -0.2514 3.2509 3.2509 3.5982 3.5982 3.7398 3.7398 5.8112 5.8112 5.9623 5.9623 6.2794 6.2794 7.0622 7.0622 7.5132 7.5132 7.8039 7.8039 7.9281 7.9281 8.5778 8.5778 k = 0.6366 0.2554 0.2136 ( 2082 PWs) bands (ev): -11.5362 -11.5362 -10.7146 -10.7146 -10.4389 -10.4389 -3.2464 -3.2464 -3.1246 -3.1246 -2.8876 -2.8876 -2.3346 -2.3346 -1.8779 -1.8779 -1.2766 -1.2766 -0.2831 -0.2831 3.2337 3.2337 3.5928 3.5928 3.7155 3.7155 5.8358 5.8358 5.9820 5.9820 6.3050 6.3050 7.0751 7.0751 7.5237 7.5237 7.8762 7.8762 7.9674 7.9674 8.5857 8.5857 k = 0.6400 0.2645 0.2212 ( 2084 PWs) bands (ev): -11.5346 -11.5346 -10.7021 -10.7021 -10.4254 -10.4254 -3.2742 -3.2742 -3.1453 -3.1453 -2.8850 -2.8850 -2.3493 -2.3493 -1.8826 -1.8826 -1.2895 -1.2895 -0.3110 -0.3110 3.2168 3.2168 3.5853 3.5853 3.6940 3.6940 5.8594 5.8594 6.0006 6.0006 6.3278 6.3278 7.0862 7.0862 7.5314 7.5314 7.9446 7.9446 8.0061 8.0061 8.5935 8.5935 k = 0.6435 0.2737 0.2289 ( 2084 PWs) bands (ev): -11.5344 -11.5344 -10.6896 -10.6896 -10.4128 -10.4128 -3.3050 -3.3050 -3.1603 -3.1603 -2.8802 -2.8802 -2.3616 -2.3616 -1.8868 -1.8868 -1.3028 -1.3028 -0.3351 -0.3351 3.2002 3.2002 3.5752 3.5752 3.6761 3.6761 5.8820 5.8820 6.0180 6.0180 6.3478 6.3478 7.0954 7.0954 7.5365 7.5365 8.0082 8.0082 8.0446 8.0446 8.6013 8.6013 k = 0.6469 0.2828 0.2365 ( 2082 PWs) bands (ev): -11.5355 -11.5355 -10.6772 -10.6772 -10.4012 -10.4012 -3.3365 -3.3365 -3.1714 -3.1714 -2.8737 -2.8737 -2.3716 -2.3716 -1.8905 -1.8905 -1.3166 -1.3166 -0.3553 -0.3553 3.1840 3.1840 3.5622 3.5622 3.6618 3.6618 5.9037 5.9037 6.0339 6.0339 6.3653 6.3653 7.1027 7.1027 7.5391 7.5391 8.0644 8.0644 8.0848 8.0848 8.6090 8.6090 k = 0.6503 0.2919 0.2441 ( 2080 PWs) bands (ev): -11.5380 -11.5380 -10.6651 -10.6651 -10.3906 -10.3906 -3.3668 -3.3668 -3.1794 -3.1794 -2.8659 -2.8659 -2.3792 -2.3792 -1.8937 -1.8937 -1.3308 -1.3308 -0.3718 -0.3718 3.1682 3.1682 3.5466 3.5466 3.6512 3.6512 5.9243 5.9243 6.0483 6.0483 6.3803 6.3803 7.1081 7.1081 7.5391 7.5391 8.1084 8.1084 8.1312 8.1312 8.6167 8.6167 Writing output data file CdCO3.save init_run : 0.36s CPU 0.58s WALL ( 1 calls) electrons : 50.00s CPU 51.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 49.98s CPU 51.76s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 330 calls) cegterg : 44.93s CPU 45.97s WALL ( 330 calls) Called by sum_band: Called by *egterg: h_psi : 25.70s CPU 26.53s WALL ( 3837 calls) s_psi : 1.14s CPU 1.19s WALL ( 3837 calls) g_psi : 0.06s CPU 0.07s WALL ( 3177 calls) cdiaghg : 17.28s CPU 17.53s WALL ( 3507 calls) cegterg:over : 1.96s CPU 1.89s WALL ( 3177 calls) cegterg:upda : 1.14s CPU 1.22s WALL ( 3177 calls) cegterg:last : 0.81s CPU 0.98s WALL ( 990 calls) cdiaghg:chol : 0.98s CPU 0.95s WALL ( 3507 calls) cdiaghg:inve : 0.50s CPU 0.48s WALL ( 3507 calls) cdiaghg:para : 1.12s CPU 1.07s WALL ( 7014 calls) Called by h_psi: h_psi:vloc : 22.59s CPU 23.29s WALL ( 3837 calls) h_psi:vnl : 3.05s CPU 3.18s WALL ( 3837 calls) add_vuspsi : 1.46s CPU 1.52s WALL ( 3837 calls) General routines calbec : 1.57s CPU 1.66s WALL ( 3837 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.43s CPU 20.87s WALL ( 504640 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.11s WALL ( 660 calls) Parallel routines fft_scatter : 9.85s CPU 10.27s WALL ( 504663 calls) PWSCF : 1m 0.58s CPU 1m29.67s WALL This run was terminated on: 16:55:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=