Program PWSCF v.5.4.0 starts on 22Mar2017 at 1:58: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./C.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 16 5 530 183 34 Max 34 17 6 533 197 37 Sum 2417 1215 397 38283 13639 2559 bravais-lattice index = 14 lattice parameter (alat) = 19.6510 a.u. unit-cell volume = 382.7706 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 1 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.651049 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.970588 celldm(5)= 0.970588 celldm(6)= 0.970588 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.970588 0.240746 0.000000 ) a(3) = ( 0.970588 0.118576 0.209519 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -4.031593 -2.350802 ) b(2) = ( 0.000000 4.153762 -2.350802 ) b(3) = ( 0.000000 0.000000 4.772841 ) PseudoPot. # 1 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 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= 439 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 2) = ( 0.0068493 -0.0276137 -0.0161014), wk = 0.0022779 k( 3) = ( 0.0136986 -0.0552273 -0.0322028), wk = 0.0022779 k( 4) = ( 0.0205479 -0.0828410 -0.0483042), wk = 0.0022779 k( 5) = ( 0.0273973 -0.1104546 -0.0644055), wk = 0.0022779 k( 6) = ( 0.0342466 -0.1380683 -0.0805069), wk = 0.0022779 k( 7) = ( 0.0410959 -0.1656819 -0.0966083), wk = 0.0022779 k( 8) = ( 0.0479452 -0.1932956 -0.1127097), wk = 0.0022779 k( 9) = ( 0.0547945 -0.2209092 -0.1288111), wk = 0.0022779 k( 10) = ( 0.0616438 -0.2485229 -0.1449125), wk = 0.0022779 k( 11) = ( 0.0684932 -0.2761365 -0.1610139), wk = 0.0022779 k( 12) = ( 0.0753425 -0.3037502 -0.1771153), wk = 0.0022779 k( 13) = ( 0.0821918 -0.3313638 -0.1932166), wk = 0.0022779 k( 14) = ( 0.0890411 -0.3589775 -0.2093180), wk = 0.0022779 k( 15) = ( 0.0958904 -0.3865911 -0.2254194), wk = 0.0022779 k( 16) = ( 0.1027397 -0.4142048 -0.2415208), wk = 0.0022779 k( 17) = ( 0.1095890 -0.4418184 -0.2576222), wk = 0.0022779 k( 18) = ( 0.1164384 -0.4694321 -0.2737236), wk = 0.0022779 k( 19) = ( 0.1232877 -0.4970457 -0.2898250), wk = 0.0022779 k( 20) = ( 0.1301370 -0.5246594 -0.3059264), wk = 0.0022779 k( 21) = ( 0.1369863 -0.5522730 -0.3220277), wk = 0.0022779 k( 22) = ( 0.1438356 -0.5798867 -0.3381291), wk = 0.0022779 k( 23) = ( 0.1506849 -0.6075003 -0.3542305), wk = 0.0022779 k( 24) = ( 0.1575342 -0.6351140 -0.3703319), wk = 0.0022779 k( 25) = ( 0.1643836 -0.6627276 -0.3864333), wk = 0.0022779 k( 26) = ( 0.1712329 -0.6903413 -0.4025347), wk = 0.0022779 k( 27) = ( 0.1780822 -0.7179549 -0.4186360), wk = 0.0022779 k( 28) = ( 0.1849315 -0.7455686 -0.4347374), wk = 0.0022779 k( 29) = ( 0.1917808 -0.7731822 -0.4508388), wk = 0.0022779 k( 30) = ( 0.1986301 -0.8007959 -0.4669402), wk = 0.0022779 k( 31) = ( 0.2054795 -0.8284095 -0.4830416), wk = 0.0022779 k( 32) = ( 0.2123288 -0.8560232 -0.4991430), wk = 0.0022779 k( 33) = ( 0.2191781 -0.8836368 -0.5152444), wk = 0.0022779 k( 34) = ( 0.2260274 -0.9112505 -0.5313458), wk = 0.0022779 k( 35) = ( 0.2328767 -0.9388641 -0.5474471), wk = 0.0022779 k( 36) = ( 0.2397260 -0.9664778 -0.5635485), wk = 0.0022779 k( 37) = ( 0.2465753 -0.9940914 -0.5796499), wk = 0.0022779 k( 38) = ( 0.2534247 -1.0217051 -0.5957513), wk = 0.0022779 k( 39) = ( 0.2602740 -1.0493187 -0.6118527), wk = 0.0022779 k( 40) = ( 0.2671233 -1.0769324 -0.6279541), wk = 0.0022779 k( 41) = ( 0.2739726 -1.1045460 -0.6440555), wk = 0.0022779 k( 42) = ( 0.2808219 -1.1321597 -0.6601569), wk = 0.0022779 k( 43) = ( 0.2876712 -1.1597733 -0.6762582), wk = 0.0022779 k( 44) = ( 0.2945205 -1.1873870 -0.6923596), wk = 0.0022779 k( 45) = ( 0.3013699 -1.2150006 -0.7084610), wk = 0.0022779 k( 46) = ( 0.3082192 -1.2426143 -0.7245624), wk = 0.0022779 k( 47) = ( 0.3150685 -1.2702279 -0.7406638), wk = 0.0022779 k( 48) = ( 0.3219178 -1.2978416 -0.7567652), wk = 0.0022779 k( 49) = ( 0.3287671 -1.3254552 -0.7728665), wk = 0.0022779 k( 50) = ( 0.3356164 -1.3530689 -0.7889679), wk = 0.0022779 k( 51) = ( 0.3424658 -1.3806825 -0.8050693), wk = 0.0022779 k( 52) = ( 0.3493151 -1.4082962 -0.8211707), wk = 0.0022779 k( 53) = ( 0.3561644 -1.4359098 -0.8372721), wk = 0.0022779 k( 54) = ( 0.3630137 -1.4635235 -0.8533735), wk = 0.0022779 k( 55) = ( 0.3698630 -1.4911371 -0.8694749), wk = 0.0022779 k( 56) = ( 0.3767123 -1.5187508 -0.8855763), wk = 0.0022779 k( 57) = ( 0.3835616 -1.5463644 -0.9016776), wk = 0.0022779 k( 58) = ( 0.3904110 -1.5739781 -0.9177790), wk = 0.0022779 k( 59) = ( 0.3972603 -1.6015917 -0.9338804), wk = 0.0022779 k( 60) = ( 0.4041096 -1.6292054 -0.9499818), wk = 0.0022779 k( 61) = ( 0.4109589 -1.6568190 -0.9660832), wk = 0.0022779 k( 62) = ( 0.4178082 -1.6844327 -0.9821846), wk = 0.0022779 k( 63) = ( 0.4246575 -1.7120463 -0.9982860), wk = 0.0022779 k( 64) = ( 0.4315068 -1.7396600 -1.0143874), wk = 0.0022779 k( 65) = ( 0.4383562 -1.7672736 -1.0304887), wk = 0.0022779 k( 66) = ( 0.4452055 -1.7948873 -1.0465901), wk = 0.0022779 k( 67) = ( 0.4520548 -1.8225009 -1.0626915), wk = 0.0022779 k( 68) = ( 0.4589041 -1.8501146 -1.0787929), wk = 0.0022779 k( 69) = ( 0.4657534 -1.8777282 -1.0948943), wk = 0.0022779 k( 70) = ( 0.4726027 -1.9053419 -1.1109957), wk = 0.0022779 k( 71) = ( 0.4794521 -1.9329555 -1.1270970), wk = 0.0022779 k( 72) = ( 0.4863014 -1.9605692 -1.1431984), wk = 0.0022779 k( 73) = ( 0.4931507 -1.9881828 -1.1592998), wk = 0.0022779 k( 74) = ( 0.5000000 -2.0157965 -1.1754012), wk = 0.0022779 k( 75) = ( 0.5000000 -2.0157965 -1.1754012), wk = 0.0022779 k( 76) = ( 0.5000000 -1.9993746 -1.2035645), wk = 0.0022779 k( 77) = ( 0.5000000 -1.9829528 -1.2317277), wk = 0.0022779 k( 78) = ( 0.5000000 -1.9665309 -1.2598909), wk = 0.0022779 k( 79) = ( 0.5000000 -1.9501091 -1.2880542), wk = 0.0022779 k( 80) = ( 0.5000000 -1.9336872 -1.3162174), wk = 0.0022779 k( 81) = ( 0.5000000 -1.9172654 -1.3443807), wk = 0.0022779 k( 82) = ( 0.5000000 -1.9008435 -1.3725439), wk = 0.0022779 k( 83) = ( 0.5000000 -1.8844217 -1.4007072), wk = 0.0022779 k( 84) = ( 0.5000000 -1.8679998 -1.4288704), wk = 0.0022779 k( 85) = ( 0.5000000 -1.8515780 -1.4570336), wk = 0.0022779 k( 86) = ( 0.5000000 -1.8351561 -1.4851969), wk = 0.0022779 k( 87) = ( 0.5000000 -1.8187343 -1.5133601), wk = 0.0022779 k( 88) = ( 0.5000000 -1.8023124 -1.5415234), wk = 0.0022779 k( 89) = ( 0.5000000 -1.7858905 -1.5696866), wk = 0.0022779 k( 90) = ( 0.5000000 -1.7694687 -1.5978498), wk = 0.0022779 k( 91) = ( 0.5000000 -1.7530469 -1.6260131), wk = 0.0022779 k( 92) = ( 0.5000000 -1.7366250 -1.6541763), wk = 0.0022779 k( 93) = ( 0.5000000 -1.7202032 -1.6823396), wk = 0.0022779 k( 94) = ( 0.5000000 -1.7037813 -1.7105028), wk = 0.0022779 k( 95) = ( 0.5000000 -1.6873594 -1.7386661), wk = 0.0022779 k( 96) = ( 0.5000000 -1.6709376 -1.7668293), wk = 0.0022779 k( 97) = ( 0.5000000 -1.6545158 -1.7949925), wk = 0.0022779 k( 98) = ( 0.5000000 -1.6380939 -1.8231558), wk = 0.0022779 k( 99) = ( 0.5000000 -1.6216720 -1.8513190), wk = 0.0022779 k( 100) = ( 0.5000000 -1.6052502 -1.8794823), wk = 0.0022779 k( 101) = ( 0.5000000 -1.5888283 -1.9076455), wk = 0.0022779 k( 102) = ( 0.5000000 -1.5724065 -1.9358087), wk = 0.0022779 k( 103) = ( 0.5000000 -1.5559847 -1.9639720), wk = 0.0022779 k( 104) = ( 0.5000000 -1.5395628 -1.9921352), wk = 0.0022779 k( 105) = ( 0.5000000 -1.5231409 -2.0202985), wk = 0.0022779 k( 106) = ( 0.5000000 -1.5067191 -2.0484617), wk = 0.0022779 k( 107) = ( 0.5000000 -1.4902972 -2.0766250), wk = 0.0022779 k( 108) = ( 0.5000000 -1.4738754 -2.1047882), wk = 0.0022779 k( 109) = ( 0.5000000 -1.4574536 -2.1329514), wk = 0.0022779 k( 110) = ( 0.5000000 -1.4410317 -2.1611147), wk = 0.0022779 k( 111) = ( 0.5000000 -1.4246098 -2.1892779), wk = 0.0022779 k( 112) = ( 0.5000000 -1.4081880 -2.2174412), wk = 0.0022779 k( 113) = ( 0.5000000 -1.3917661 -2.2456045), wk = 0.0022779 k( 114) = ( 0.5000000 -1.3753443 -2.2737676), wk = 0.0022779 k( 115) = ( 0.5000000 -1.3589224 -2.3019309), wk = 0.0022779 k( 116) = ( 0.5000000 -1.3425006 -2.3300941), wk = 0.0022779 k( 117) = ( 0.5000000 -1.3260787 -2.3582574), wk = 0.0022779 k( 118) = ( 0.5000000 -1.3096569 -2.3864207), wk = 0.0022779 k( 119) = ( 0.8300000 -1.2693410 -2.3151842), wk = 0.0022779 k( 120) = ( 0.8260241 -1.2533118 -2.2868613), wk = 0.0022779 k( 121) = ( 0.8220482 -1.2372825 -2.2585384), wk = 0.0022779 k( 122) = ( 0.8180723 -1.2212533 -2.2302155), wk = 0.0022779 k( 123) = ( 0.8140964 -1.2052241 -2.2018926), wk = 0.0022779 k( 124) = ( 0.8101205 -1.1891948 -2.1735696), wk = 0.0022779 k( 125) = ( 0.8061446 -1.1731656 -2.1452467), wk = 0.0022779 k( 126) = ( 0.8021687 -1.1571364 -2.1169238), wk = 0.0022779 k( 127) = ( 0.7981928 -1.1411072 -2.0886009), wk = 0.0022779 k( 128) = ( 0.7942169 -1.1250780 -2.0602780), wk = 0.0022779 k( 129) = ( 0.7902410 -1.1090487 -2.0319551), wk = 0.0022779 k( 130) = ( 0.7862651 -1.0930195 -2.0036321), wk = 0.0022779 k( 131) = ( 0.7822892 -1.0769903 -1.9753092), wk = 0.0022779 k( 132) = ( 0.7783132 -1.0609610 -1.9469862), wk = 0.0022779 k( 133) = ( 0.7743374 -1.0449318 -1.9186633), wk = 0.0022779 k( 134) = ( 0.7703615 -1.0289026 -1.8903404), wk = 0.0022779 k( 135) = ( 0.7663855 -1.0128734 -1.8620175), wk = 0.0022779 k( 136) = ( 0.7624096 -0.9968442 -1.8336946), wk = 0.0022779 k( 137) = ( 0.7584337 -0.9808149 -1.8053717), wk = 0.0022779 k( 138) = ( 0.7544578 -0.9647857 -1.7770487), wk = 0.0022779 k( 139) = ( 0.7504819 -0.9487565 -1.7487258), wk = 0.0022779 k( 140) = ( 0.7465060 -0.9327273 -1.7204029), wk = 0.0022779 k( 141) = ( 0.7425301 -0.9166980 -1.6920800), wk = 0.0022779 k( 142) = ( 0.7385542 -0.9006688 -1.6637571), wk = 0.0022779 k( 143) = ( 0.7345783 -0.8846396 -1.6354341), wk = 0.0022779 k( 144) = ( 0.7306024 -0.8686103 -1.6071112), wk = 0.0022779 k( 145) = ( 0.7266265 -0.8525811 -1.5787883), wk = 0.0022779 k( 146) = ( 0.7226506 -0.8365519 -1.5504654), wk = 0.0022779 k( 147) = ( 0.7186747 -0.8205227 -1.5221425), wk = 0.0022779 k( 148) = ( 0.7146988 -0.8044935 -1.4938196), wk = 0.0022779 k( 149) = ( 0.7107229 -0.7884642 -1.4654966), wk = 0.0022779 k( 150) = ( 0.7067470 -0.7724350 -1.4371737), wk = 0.0022779 k( 151) = ( 0.7027711 -0.7564058 -1.4088508), wk = 0.0022779 k( 152) = ( 0.6987952 -0.7403765 -1.3805278), wk = 0.0022779 k( 153) = ( 0.6948193 -0.7243473 -1.3522049), wk = 0.0022779 k( 154) = ( 0.6908434 -0.7083181 -1.3238820), wk = 0.0022779 k( 155) = ( 0.6868675 -0.6922889 -1.2955591), wk = 0.0022779 k( 156) = ( 0.6828916 -0.6762597 -1.2672362), wk = 0.0022779 k( 157) = ( 0.6789157 -0.6602304 -1.2389132), wk = 0.0022779 k( 158) = ( 0.6749398 -0.6442012 -1.2105903), wk = 0.0022779 k( 159) = ( 0.6709639 -0.6281720 -1.1822674), wk = 0.0022779 k( 160) = ( 0.6669879 -0.6121427 -1.1539445), wk = 0.0022779 k( 161) = ( 0.6630120 -0.5961135 -1.1256216), wk = 0.0022779 k( 162) = ( 0.6590362 -0.5800843 -1.0972987), wk = 0.0022779 k( 163) = ( 0.6550602 -0.5640551 -1.0689757), wk = 0.0022779 k( 164) = ( 0.6510843 -0.5480259 -1.0406528), wk = 0.0022779 k( 165) = ( 0.6471084 -0.5319966 -1.0123298), wk = 0.0022779 k( 166) = ( 0.6431325 -0.5159674 -0.9840070), wk = 0.0022779 k( 167) = ( 0.6391566 -0.4999382 -0.9556841), wk = 0.0022779 k( 168) = ( 0.6351807 -0.4839089 -0.9273611), wk = 0.0022779 k( 169) = ( 0.6312048 -0.4678797 -0.8990382), wk = 0.0022779 k( 170) = ( 0.6272289 -0.4518505 -0.8707153), wk = 0.0022779 k( 171) = ( 0.6232530 -0.4358213 -0.8423923), wk = 0.0022779 k( 172) = ( 0.6192771 -0.4197921 -0.8140694), wk = 0.0022779 k( 173) = ( 0.6153012 -0.4037628 -0.7857465), wk = 0.0022779 k( 174) = ( 0.6113253 -0.3877336 -0.7574236), wk = 0.0022779 k( 175) = ( 0.6073494 -0.3717044 -0.7291007), wk = 0.0022779 k( 176) = ( 0.6033735 -0.3556751 -0.7007777), wk = 0.0022779 k( 177) = ( 0.5993976 -0.3396459 -0.6724548), wk = 0.0022779 k( 178) = ( 0.5954217 -0.3236167 -0.6441319), wk = 0.0022779 k( 179) = ( 0.5914458 -0.3075875 -0.6158090), wk = 0.0022779 k( 180) = ( 0.5874699 -0.2915582 -0.5874861), wk = 0.0022779 k( 181) = ( 0.5834940 -0.2755290 -0.5591632), wk = 0.0022779 k( 182) = ( 0.5795181 -0.2594998 -0.5308402), wk = 0.0022779 k( 183) = ( 0.5755422 -0.2434706 -0.5025173), wk = 0.0022779 k( 184) = ( 0.5715663 -0.2274414 -0.4741944), wk = 0.0022779 k( 185) = ( 0.5675904 -0.2114121 -0.4458714), wk = 0.0022779 k( 186) = ( 0.5636145 -0.1953829 -0.4175486), wk = 0.0022779 k( 187) = ( 0.5596385 -0.1793537 -0.3892256), wk = 0.0022779 k( 188) = ( 0.5556627 -0.1633244 -0.3609027), wk = 0.0022779 k( 189) = ( 0.5516868 -0.1472952 -0.3325798), wk = 0.0022779 k( 190) = ( 0.5477108 -0.1312660 -0.3042568), wk = 0.0022779 k( 191) = ( 0.5437349 -0.1152368 -0.2759339), wk = 0.0022779 k( 192) = ( 0.5397590 -0.0992076 -0.2476110), wk = 0.0022779 k( 193) = ( 0.5357831 -0.0831783 -0.2192881), wk = 0.0022779 k( 194) = ( 0.5318072 -0.0671491 -0.1909652), wk = 0.0022779 k( 195) = ( 0.5278313 -0.0511199 -0.1626423), wk = 0.0022779 k( 196) = ( 0.5238554 -0.0350906 -0.1343193), wk = 0.0022779 k( 197) = ( 0.5198795 -0.0190614 -0.1059964), wk = 0.0022779 k( 198) = ( 0.5159036 -0.0030322 -0.0776735), wk = 0.0022779 k( 199) = ( 0.5119277 0.0129970 -0.0493506), wk = 0.0022779 k( 200) = ( 0.5079518 0.0290262 -0.0210277), wk = 0.0022779 k( 201) = ( 0.5039759 0.0450555 0.0072953), wk = 0.0022779 k( 202) = ( 0.5000000 0.0610847 0.0356182), wk = 0.0022779 k( 203) = ( 0.5000000 0.0610847 0.0356182), wk = 0.0022779 k( 204) = ( 0.4687500 0.0572669 0.0333921), wk = 0.0022779 k( 205) = ( 0.4375000 0.0534491 0.0311659), wk = 0.0022779 k( 206) = ( 0.4062500 0.0496313 0.0289398), wk = 0.0022779 k( 207) = ( 0.3750000 0.0458135 0.0267136), wk = 0.0022779 k( 208) = ( 0.3437500 0.0419957 0.0244875), wk = 0.0022779 k( 209) = ( 0.3125000 0.0381779 0.0222614), wk = 0.0022779 k( 210) = ( 0.2812500 0.0343601 0.0200352), wk = 0.0022779 k( 211) = ( 0.2500000 0.0305424 0.0178091), wk = 0.0022779 k( 212) = ( 0.2187500 0.0267246 0.0155830), wk = 0.0022779 k( 213) = ( 0.1875000 0.0229068 0.0133568), wk = 0.0022779 k( 214) = ( 0.1562500 0.0190890 0.0111307), wk = 0.0022779 k( 215) = ( 0.1250000 0.0152712 0.0089045), wk = 0.0022779 k( 216) = ( 0.0937500 0.0114534 0.0066784), wk = 0.0022779 k( 217) = ( 0.0625000 0.0076356 0.0044523), wk = 0.0022779 k( 218) = ( 0.0312500 0.0038178 0.0022261), wk = 0.0022779 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 221) = ( 0.0039881 -0.0160784 -0.0284098), wk = 0.0022779 k( 222) = ( 0.0079762 -0.0321568 -0.0568195), wk = 0.0022779 k( 223) = ( 0.0119643 -0.0482351 -0.0852293), wk = 0.0022779 k( 224) = ( 0.0159524 -0.0643135 -0.1136391), wk = 0.0022779 k( 225) = ( 0.0199405 -0.0803919 -0.1420489), wk = 0.0022779 k( 226) = ( 0.0239286 -0.0964703 -0.1704586), wk = 0.0022779 k( 227) = ( 0.0279167 -0.1125486 -0.1988684), wk = 0.0022779 k( 228) = ( 0.0319048 -0.1286270 -0.2272781), wk = 0.0022779 k( 229) = ( 0.0358929 -0.1447054 -0.2556879), wk = 0.0022779 k( 230) = ( 0.0398809 -0.1607838 -0.2840977), wk = 0.0022779 k( 231) = ( 0.0438690 -0.1768622 -0.3125075), wk = 0.0022779 k( 232) = ( 0.0478571 -0.1929405 -0.3409172), wk = 0.0022779 k( 233) = ( 0.0518452 -0.2090189 -0.3693270), wk = 0.0022779 k( 234) = ( 0.0558333 -0.2250973 -0.3977368), wk = 0.0022779 k( 235) = ( 0.0598214 -0.2411757 -0.4261466), wk = 0.0022779 k( 236) = ( 0.0638095 -0.2572540 -0.4545563), wk = 0.0022779 k( 237) = ( 0.0677976 -0.2733324 -0.4829661), wk = 0.0022779 k( 238) = ( 0.0717857 -0.2894108 -0.5113758), wk = 0.0022779 k( 239) = ( 0.0757738 -0.3054892 -0.5397856), wk = 0.0022779 k( 240) = ( 0.0797619 -0.3215675 -0.5681954), wk = 0.0022779 k( 241) = ( 0.0837500 -0.3376459 -0.5966052), wk = 0.0022779 k( 242) = ( 0.0877381 -0.3537243 -0.6250149), wk = 0.0022779 k( 243) = ( 0.0917262 -0.3698027 -0.6534247), wk = 0.0022779 k( 244) = ( 0.0957143 -0.3858811 -0.6818345), wk = 0.0022779 k( 245) = ( 0.0997024 -0.4019594 -0.7102442), wk = 0.0022779 k( 246) = ( 0.1036905 -0.4180378 -0.7386540), wk = 0.0022779 k( 247) = ( 0.1076786 -0.4341162 -0.7670638), wk = 0.0022779 k( 248) = ( 0.1116667 -0.4501946 -0.7954736), wk = 0.0022779 k( 249) = ( 0.1156548 -0.4662729 -0.8238833), wk = 0.0022779 k( 250) = ( 0.1196429 -0.4823513 -0.8522931), wk = 0.0022779 k( 251) = ( 0.1236310 -0.4984297 -0.8807028), wk = 0.0022779 k( 252) = ( 0.1276191 -0.5145081 -0.9091126), wk = 0.0022779 k( 253) = ( 0.1316071 -0.5305864 -0.9375224), wk = 0.0022779 k( 254) = ( 0.1355952 -0.5466648 -0.9659322), wk = 0.0022779 k( 255) = ( 0.1395833 -0.5627432 -0.9943419), wk = 0.0022779 k( 256) = ( 0.1435714 -0.5788216 -1.0227517), wk = 0.0022779 k( 257) = ( 0.1475595 -0.5948999 -1.0511614), wk = 0.0022779 k( 258) = ( 0.1515476 -0.6109783 -1.0795713), wk = 0.0022779 k( 259) = ( 0.1555357 -0.6270567 -1.1079810), wk = 0.0022779 k( 260) = ( 0.1595238 -0.6431351 -1.1363908), wk = 0.0022779 k( 261) = ( 0.1635119 -0.6592134 -1.1648005), wk = 0.0022779 k( 262) = ( 0.1675000 -0.6752918 -1.1932103), wk = 0.0022779 k( 263) = ( 0.1714881 -0.6913702 -1.2216201), wk = 0.0022779 k( 264) = ( 0.1754762 -0.7074486 -1.2500299), wk = 0.0022779 k( 265) = ( 0.1794643 -0.7235270 -1.2784397), wk = 0.0022779 k( 266) = ( 0.1834524 -0.7396053 -1.3068494), wk = 0.0022779 k( 267) = ( 0.1874405 -0.7556837 -1.3352592), wk = 0.0022779 k( 268) = ( 0.1914286 -0.7717621 -1.3636689), wk = 0.0022779 k( 269) = ( 0.1954167 -0.7878405 -1.3920787), wk = 0.0022779 k( 270) = ( 0.1994048 -0.8039188 -1.4204885), wk = 0.0022779 k( 271) = ( 0.2033929 -0.8199972 -1.4488983), wk = 0.0022779 k( 272) = ( 0.2073810 -0.8360756 -1.4773080), wk = 0.0022779 k( 273) = ( 0.2113691 -0.8521540 -1.5057178), wk = 0.0022779 k( 274) = ( 0.2153571 -0.8682323 -1.5341275), wk = 0.0022779 k( 275) = ( 0.2193452 -0.8843107 -1.5625373), wk = 0.0022779 k( 276) = ( 0.2233333 -0.9003891 -1.5909471), wk = 0.0022779 k( 277) = ( 0.2273214 -0.9164675 -1.6193569), wk = 0.0022779 k( 278) = ( 0.2313095 -0.9325458 -1.6477666), wk = 0.0022779 k( 279) = ( 0.2352976 -0.9486242 -1.6761764), wk = 0.0022779 k( 280) = ( 0.2392857 -0.9647026 -1.7045861), wk = 0.0022779 k( 281) = ( 0.2432738 -0.9807810 -1.7329959), wk = 0.0022779 k( 282) = ( 0.2472619 -0.9968593 -1.7614057), wk = 0.0022779 k( 283) = ( 0.2512500 -1.0129377 -1.7898155), wk = 0.0022779 k( 284) = ( 0.2552381 -1.0290161 -1.8182252), wk = 0.0022779 k( 285) = ( 0.2592262 -1.0450945 -1.8466350), wk = 0.0022779 k( 286) = ( 0.2632143 -1.0611728 -1.8750448), wk = 0.0022779 k( 287) = ( 0.2672024 -1.0772512 -1.9034546), wk = 0.0022779 k( 288) = ( 0.2711905 -1.0933296 -1.9318644), wk = 0.0022779 k( 289) = ( 0.2751786 -1.1094080 -1.9602741), wk = 0.0022779 k( 290) = ( 0.2791667 -1.1254864 -1.9886839), wk = 0.0022779 k( 291) = ( 0.2831548 -1.1415647 -2.0170936), wk = 0.0022779 k( 292) = ( 0.2871429 -1.1576431 -2.0455034), wk = 0.0022779 k( 293) = ( 0.2911309 -1.1737215 -2.0739132), wk = 0.0022779 k( 294) = ( 0.2951190 -1.1897999 -2.1023230), wk = 0.0022779 k( 295) = ( 0.2991071 -1.2058782 -2.1307327), wk = 0.0022779 k( 296) = ( 0.3030952 -1.2219566 -2.1591425), wk = 0.0022779 k( 297) = ( 0.3070833 -1.2380350 -2.1875522), wk = 0.0022779 k( 298) = ( 0.3110714 -1.2541134 -2.2159620), wk = 0.0022779 k( 299) = ( 0.3150595 -1.2701917 -2.2443718), wk = 0.0022779 k( 300) = ( 0.3190476 -1.2862701 -2.2727816), wk = 0.0022779 k( 301) = ( 0.3230357 -1.3023485 -2.3011913), wk = 0.0022779 k( 302) = ( 0.3270238 -1.3184269 -2.3296011), wk = 0.0022779 k( 303) = ( 0.3310119 -1.3345052 -2.3580108), wk = 0.0022779 k( 304) = ( 0.3350000 -1.3505836 -2.3864206), wk = 0.0022779 k( 305) = ( 0.6650000 -1.2894989 -2.3508024), wk = 0.0022779 k( 306) = ( 0.6610714 -1.2573422 -2.3508024), wk = 0.0022779 k( 307) = ( 0.6571429 -1.2251854 -2.3508024), wk = 0.0022779 k( 308) = ( 0.6532143 -1.1930287 -2.3508024), wk = 0.0022779 k( 309) = ( 0.6492857 -1.1608720 -2.3508024), wk = 0.0022779 k( 310) = ( 0.6453571 -1.1287151 -2.3508024), wk = 0.0022779 k( 311) = ( 0.6414286 -1.0965584 -2.3508024), wk = 0.0022779 k( 312) = ( 0.6375000 -1.0644017 -2.3508024), wk = 0.0022779 k( 313) = ( 0.6335714 -1.0322449 -2.3508024), wk = 0.0022779 k( 314) = ( 0.6296429 -1.0000882 -2.3508024), wk = 0.0022779 k( 315) = ( 0.6257143 -0.9679314 -2.3508024), wk = 0.0022779 k( 316) = ( 0.6217857 -0.9357747 -2.3508024), wk = 0.0022779 k( 317) = ( 0.6178571 -0.9036179 -2.3508024), wk = 0.0022779 k( 318) = ( 0.6139286 -0.8714611 -2.3508024), wk = 0.0022779 k( 319) = ( 0.6100000 -0.8393044 -2.3508024), wk = 0.0022779 k( 320) = ( 0.6060714 -0.8071476 -2.3508024), wk = 0.0022779 k( 321) = ( 0.6021429 -0.7749909 -2.3508024), wk = 0.0022779 k( 322) = ( 0.5982143 -0.7428342 -2.3508024), wk = 0.0022779 k( 323) = ( 0.5942857 -0.7106773 -2.3508024), wk = 0.0022779 k( 324) = ( 0.5903571 -0.6785206 -2.3508024), wk = 0.0022779 k( 325) = ( 0.5864286 -0.6463639 -2.3508024), wk = 0.0022779 k( 326) = ( 0.5825000 -0.6142071 -2.3508024), wk = 0.0022779 k( 327) = ( 0.5785714 -0.5820504 -2.3508024), wk = 0.0022779 k( 328) = ( 0.5746429 -0.5498936 -2.3508024), wk = 0.0022779 k( 329) = ( 0.5707143 -0.5177369 -2.3508024), wk = 0.0022779 k( 330) = ( 0.5667857 -0.4855801 -2.3508024), wk = 0.0022779 k( 331) = ( 0.5628571 -0.4534233 -2.3508024), wk = 0.0022779 k( 332) = ( 0.5589286 -0.4212666 -2.3508024), wk = 0.0022779 k( 333) = ( 0.5550000 -0.3891098 -2.3508024), wk = 0.0022779 k( 334) = ( 0.5510714 -0.3569531 -2.3508024), wk = 0.0022779 k( 335) = ( 0.5471429 -0.3247964 -2.3508024), wk = 0.0022779 k( 336) = ( 0.5432143 -0.2926396 -2.3508024), wk = 0.0022779 k( 337) = ( 0.5392857 -0.2604828 -2.3508024), wk = 0.0022779 k( 338) = ( 0.5353571 -0.2283261 -2.3508024), wk = 0.0022779 k( 339) = ( 0.5314286 -0.1961693 -2.3508024), wk = 0.0022779 k( 340) = ( 0.5275000 -0.1640126 -2.3508024), wk = 0.0022779 k( 341) = ( 0.5235714 -0.1318558 -2.3508024), wk = 0.0022779 k( 342) = ( 0.5196429 -0.0996991 -2.3508024), wk = 0.0022779 k( 343) = ( 0.5157143 -0.0675423 -2.3508024), wk = 0.0022779 k( 344) = ( 0.5117857 -0.0353855 -2.3508024), wk = 0.0022779 k( 345) = ( 0.5078571 -0.0032288 -2.3508024), wk = 0.0022779 k( 346) = ( 0.5039286 0.0289280 -2.3508024), wk = 0.0022779 k( 347) = ( 0.5000000 0.0610847 -2.3508024), wk = 0.0022779 k( 348) = ( 0.5000000 0.0610847 -2.3508024), wk = 0.0022779 k( 349) = ( 0.5275000 0.0644444 -2.3448661), wk = 0.0022779 k( 350) = ( 0.5550000 0.0678040 -2.3389297), wk = 0.0022779 k( 351) = ( 0.5825000 0.0711637 -2.3329933), wk = 0.0022779 k( 352) = ( 0.6100000 0.0745233 -2.3270570), wk = 0.0022779 k( 353) = ( 0.6375000 0.0778830 -2.3211206), wk = 0.0022779 k( 354) = ( 0.6650000 0.0812427 -2.3151842), wk = 0.0022779 k( 355) = ( 0.6650000 0.0812427 -2.3151842), wk = 0.0022779 k( 356) = ( 0.6627083 0.0809627 -2.2825342), wk = 0.0022779 k( 357) = ( 0.6604167 0.0806827 -2.2498842), wk = 0.0022779 k( 358) = ( 0.6581250 0.0804027 -2.2172341), wk = 0.0022779 k( 359) = ( 0.6558333 0.0801228 -2.1845841), wk = 0.0022779 k( 360) = ( 0.6535417 0.0798428 -2.1519341), wk = 0.0022779 k( 361) = ( 0.6512500 0.0795628 -2.1192840), wk = 0.0022779 k( 362) = ( 0.6489583 0.0792829 -2.0866340), wk = 0.0022779 k( 363) = ( 0.6466667 0.0790029 -2.0539840), wk = 0.0022779 k( 364) = ( 0.6443750 0.0787229 -2.0213339), wk = 0.0022779 k( 365) = ( 0.6420833 0.0784429 -1.9886839), wk = 0.0022779 k( 366) = ( 0.6397917 0.0781630 -1.9560339), wk = 0.0022779 k( 367) = ( 0.6375000 0.0778830 -1.9233838), wk = 0.0022779 k( 368) = ( 0.6352083 0.0776030 -1.8907338), wk = 0.0022779 k( 369) = ( 0.6329167 0.0773231 -1.8580838), wk = 0.0022779 k( 370) = ( 0.6306250 0.0770431 -1.8254337), wk = 0.0022779 k( 371) = ( 0.6283333 0.0767631 -1.7927837), wk = 0.0022779 k( 372) = ( 0.6260417 0.0764831 -1.7601337), wk = 0.0022779 k( 373) = ( 0.6237500 0.0762032 -1.7274836), wk = 0.0022779 k( 374) = ( 0.6214583 0.0759232 -1.6948336), wk = 0.0022779 k( 375) = ( 0.6191667 0.0756432 -1.6621836), wk = 0.0022779 k( 376) = ( 0.6168750 0.0753633 -1.6295335), wk = 0.0022779 k( 377) = ( 0.6145833 0.0750833 -1.5968835), wk = 0.0022779 k( 378) = ( 0.6122917 0.0748033 -1.5642335), wk = 0.0022779 k( 379) = ( 0.6100000 0.0745233 -1.5315834), wk = 0.0022779 k( 380) = ( 0.6077083 0.0742434 -1.4989334), wk = 0.0022779 k( 381) = ( 0.6054167 0.0739634 -1.4662834), wk = 0.0022779 k( 382) = ( 0.6031250 0.0736834 -1.4336333), wk = 0.0022779 k( 383) = ( 0.6008333 0.0734035 -1.4009833), wk = 0.0022779 k( 384) = ( 0.5985417 0.0731235 -1.3683333), wk = 0.0022779 k( 385) = ( 0.5962500 0.0728435 -1.3356832), wk = 0.0022779 k( 386) = ( 0.5939583 0.0725635 -1.3030332), wk = 0.0022779 k( 387) = ( 0.5916667 0.0722836 -1.2703832), wk = 0.0022779 k( 388) = ( 0.5893750 0.0720036 -1.2377331), wk = 0.0022779 k( 389) = ( 0.5870833 0.0717236 -1.2050831), wk = 0.0022779 k( 390) = ( 0.5847917 0.0714437 -1.1724330), wk = 0.0022779 k( 391) = ( 0.5825000 0.0711637 -1.1397830), wk = 0.0022779 k( 392) = ( 0.5802083 0.0708837 -1.1071330), wk = 0.0022779 k( 393) = ( 0.5779167 0.0706037 -1.0744829), wk = 0.0022779 k( 394) = ( 0.5756250 0.0703238 -1.0418329), wk = 0.0022779 k( 395) = ( 0.5733333 0.0700438 -1.0091829), wk = 0.0022779 k( 396) = ( 0.5710417 0.0697638 -0.9765328), wk = 0.0022779 k( 397) = ( 0.5687500 0.0694838 -0.9438828), wk = 0.0022779 k( 398) = ( 0.5664583 0.0692039 -0.9112328), wk = 0.0022779 k( 399) = ( 0.5641667 0.0689239 -0.8785827), wk = 0.0022779 k( 400) = ( 0.5618750 0.0686439 -0.8459327), wk = 0.0022779 k( 401) = ( 0.5595833 0.0683640 -0.8132827), wk = 0.0022779 k( 402) = ( 0.5572917 0.0680840 -0.7806326), wk = 0.0022779 k( 403) = ( 0.5550000 0.0678040 -0.7479826), wk = 0.0022779 k( 404) = ( 0.5527083 0.0675240 -0.7153326), wk = 0.0022779 k( 405) = ( 0.5504167 0.0672441 -0.6826825), wk = 0.0022779 k( 406) = ( 0.5481250 0.0669641 -0.6500325), wk = 0.0022779 k( 407) = ( 0.5458333 0.0666841 -0.6173825), wk = 0.0022779 k( 408) = ( 0.5435417 0.0664042 -0.5847324), wk = 0.0022779 k( 409) = ( 0.5412500 0.0661242 -0.5520824), wk = 0.0022779 k( 410) = ( 0.5389583 0.0658442 -0.5194324), wk = 0.0022779 k( 411) = ( 0.5366667 0.0655642 -0.4867823), wk = 0.0022779 k( 412) = ( 0.5343750 0.0652843 -0.4541323), wk = 0.0022779 k( 413) = ( 0.5320833 0.0650043 -0.4214823), wk = 0.0022779 k( 414) = ( 0.5297917 0.0647243 -0.3888322), wk = 0.0022779 k( 415) = ( 0.5275000 0.0644444 -0.3561822), wk = 0.0022779 k( 416) = ( 0.5252083 0.0641644 -0.3235322), wk = 0.0022779 k( 417) = ( 0.5229167 0.0638844 -0.2908821), wk = 0.0022779 k( 418) = ( 0.5206250 0.0636044 -0.2582321), wk = 0.0022779 k( 419) = ( 0.5183333 0.0633245 -0.2255821), wk = 0.0022779 k( 420) = ( 0.5160417 0.0630445 -0.1929320), wk = 0.0022779 k( 421) = ( 0.5137500 0.0627645 -0.1602820), wk = 0.0022779 k( 422) = ( 0.5114583 0.0624846 -0.1276320), wk = 0.0022779 k( 423) = ( 0.5091667 0.0622046 -0.0949819), wk = 0.0022779 k( 424) = ( 0.5068750 0.0619246 -0.0623319), wk = 0.0022779 k( 425) = ( 0.5045833 0.0616446 -0.0296819), wk = 0.0022779 k( 426) = ( 0.5022917 0.0613647 0.0029682), wk = 0.0022779 k( 427) = ( 0.5000000 0.0610847 0.0356182), wk = 0.0022779 k( 428) = ( 0.5000000 -2.0157965 -1.1754012), wk = 0.0022779 k( 429) = ( 0.5300000 -2.0102433 -1.1721632), wk = 0.0022779 k( 430) = ( 0.5600000 -2.0046902 -1.1689252), wk = 0.0022779 k( 431) = ( 0.5900000 -1.9991370 -1.1656872), wk = 0.0022779 k( 432) = ( 0.6200000 -1.9935839 -1.1624492), wk = 0.0022779 k( 433) = ( 0.6500000 -1.9880307 -1.1592111), wk = 0.0022779 k( 434) = ( 0.6800000 -1.9824775 -1.1559731), wk = 0.0022779 k( 435) = ( 0.7100000 -1.9769244 -1.1527351), wk = 0.0022779 k( 436) = ( 0.7400000 -1.9713712 -1.1494971), wk = 0.0022779 k( 437) = ( 0.7700000 -1.9658181 -1.1462591), wk = 0.0022779 k( 438) = ( 0.8000000 -1.9602649 -1.1430210), wk = 0.0022779 k( 439) = ( 0.8300000 -1.9547118 -1.1397830), wk = 0.0022779 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 2) = ( 0.0068493 -0.0000000 -0.0000000), wk = 0.0022779 k( 3) = ( 0.0136986 0.0000000 0.0000000), wk = 0.0022779 k( 4) = ( 0.0205479 0.0000000 -0.0000000), wk = 0.0022779 k( 5) = ( 0.0273973 0.0000000 0.0000000), wk = 0.0022779 k( 6) = ( 0.0342466 -0.0000000 -0.0000000), wk = 0.0022779 k( 7) = ( 0.0410959 -0.0000000 -0.0000000), wk = 0.0022779 k( 8) = ( 0.0479452 0.0000000 -0.0000000), wk = 0.0022779 k( 9) = ( 0.0547945 0.0000000 0.0000000), wk = 0.0022779 k( 10) = ( 0.0616438 0.0000000 -0.0000000), wk = 0.0022779 k( 11) = ( 0.0684932 0.0000000 -0.0000000), wk = 0.0022779 k( 12) = ( 0.0753425 0.0000000 -0.0000000), wk = 0.0022779 k( 13) = ( 0.0821918 -0.0000000 -0.0000000), wk = 0.0022779 k( 14) = ( 0.0890411 0.0000000 -0.0000000), wk = 0.0022779 k( 15) = ( 0.0958904 0.0000000 -0.0000000), wk = 0.0022779 k( 16) = ( 0.1027397 0.0000000 0.0000000), wk = 0.0022779 k( 17) = ( 0.1095890 0.0000000 0.0000000), wk = 0.0022779 k( 18) = ( 0.1164384 -0.0000000 -0.0000000), wk = 0.0022779 k( 19) = ( 0.1232877 0.0000000 -0.0000000), wk = 0.0022779 k( 20) = ( 0.1301370 -0.0000000 -0.0000000), wk = 0.0022779 k( 21) = ( 0.1369863 0.0000000 -0.0000000), wk = 0.0022779 k( 22) = ( 0.1438356 -0.0000000 -0.0000000), wk = 0.0022779 k( 23) = ( 0.1506849 -0.0000000 -0.0000000), wk = 0.0022779 k( 24) = ( 0.1575342 0.0000000 0.0000000), wk = 0.0022779 k( 25) = ( 0.1643836 -0.0000000 -0.0000000), wk = 0.0022779 k( 26) = ( 0.1712329 0.0000000 -0.0000000), wk = 0.0022779 k( 27) = ( 0.1780822 0.0000000 -0.0000000), wk = 0.0022779 k( 28) = ( 0.1849315 0.0000000 -0.0000000), wk = 0.0022779 k( 29) = ( 0.1917808 0.0000000 -0.0000000), wk = 0.0022779 k( 30) = ( 0.1986301 0.0000000 -0.0000000), wk = 0.0022779 k( 31) = ( 0.2054795 0.0000000 0.0000000), wk = 0.0022779 k( 32) = ( 0.2123288 0.0000000 -0.0000000), wk = 0.0022779 k( 33) = ( 0.2191781 0.0000000 0.0000000), wk = 0.0022779 k( 34) = ( 0.2260274 0.0000000 0.0000000), wk = 0.0022779 k( 35) = ( 0.2328767 0.0000000 0.0000000), wk = 0.0022779 k( 36) = ( 0.2397260 0.0000000 -0.0000000), wk = 0.0022779 k( 37) = ( 0.2465753 0.0000000 -0.0000000), wk = 0.0022779 k( 38) = ( 0.2534247 0.0000000 -0.0000000), wk = 0.0022779 k( 39) = ( 0.2602740 -0.0000000 -0.0000000), wk = 0.0022779 k( 40) = ( 0.2671233 -0.0000000 -0.0000000), wk = 0.0022779 k( 41) = ( 0.2739726 0.0000000 -0.0000000), wk = 0.0022779 k( 42) = ( 0.2808219 -0.0000000 -0.0000000), wk = 0.0022779 k( 43) = ( 0.2876712 -0.0000000 0.0000000), wk = 0.0022779 k( 44) = ( 0.2945205 0.0000000 -0.0000000), wk = 0.0022779 k( 45) = ( 0.3013699 -0.0000000 -0.0000000), wk = 0.0022779 k( 46) = ( 0.3082192 -0.0000000 -0.0000000), wk = 0.0022779 k( 47) = ( 0.3150685 0.0000000 -0.0000000), wk = 0.0022779 k( 48) = ( 0.3219178 0.0000000 -0.0000000), wk = 0.0022779 k( 49) = ( 0.3287671 -0.0000000 -0.0000000), wk = 0.0022779 k( 50) = ( 0.3356164 0.0000000 0.0000000), wk = 0.0022779 k( 51) = ( 0.3424658 0.0000000 0.0000000), wk = 0.0022779 k( 52) = ( 0.3493151 0.0000000 -0.0000000), wk = 0.0022779 k( 53) = ( 0.3561644 0.0000000 -0.0000000), wk = 0.0022779 k( 54) = ( 0.3630137 0.0000000 -0.0000000), wk = 0.0022779 k( 55) = ( 0.3698630 0.0000000 -0.0000000), wk = 0.0022779 k( 56) = ( 0.3767123 -0.0000000 0.0000000), wk = 0.0022779 k( 57) = ( 0.3835616 0.0000000 -0.0000000), wk = 0.0022779 k( 58) = ( 0.3904110 0.0000000 0.0000000), wk = 0.0022779 k( 59) = ( 0.3972603 -0.0000000 0.0000000), wk = 0.0022779 k( 60) = ( 0.4041096 -0.0000000 -0.0000000), wk = 0.0022779 k( 61) = ( 0.4109589 0.0000000 0.0000000), wk = 0.0022779 k( 62) = ( 0.4178082 0.0000000 -0.0000000), wk = 0.0022779 k( 63) = ( 0.4246575 -0.0000000 -0.0000000), wk = 0.0022779 k( 64) = ( 0.4315068 0.0000000 0.0000000), wk = 0.0022779 k( 65) = ( 0.4383562 0.0000000 0.0000000), wk = 0.0022779 k( 66) = ( 0.4452055 0.0000000 0.0000000), wk = 0.0022779 k( 67) = ( 0.4520548 0.0000000 0.0000000), wk = 0.0022779 k( 68) = ( 0.4589041 0.0000000 0.0000000), wk = 0.0022779 k( 69) = ( 0.4657534 0.0000000 0.0000000), wk = 0.0022779 k( 70) = ( 0.4726027 0.0000000 0.0000000), wk = 0.0022779 k( 71) = ( 0.4794521 0.0000000 0.0000000), wk = 0.0022779 k( 72) = ( 0.4863014 0.0000000 -0.0000000), wk = 0.0022779 k( 73) = ( 0.4931507 0.0000000 -0.0000000), wk = 0.0022779 k( 74) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022779 k( 75) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022779 k( 76) = ( 0.5000000 0.0039535 -0.0039535), wk = 0.0022779 k( 77) = ( 0.5000000 0.0079070 -0.0079070), wk = 0.0022779 k( 78) = ( 0.5000000 0.0118605 -0.0118605), wk = 0.0022779 k( 79) = ( 0.5000000 0.0158140 -0.0158140), wk = 0.0022779 k( 80) = ( 0.5000000 0.0197674 -0.0197674), wk = 0.0022779 k( 81) = ( 0.5000000 0.0237209 -0.0237209), wk = 0.0022779 k( 82) = ( 0.5000000 0.0276744 -0.0276744), wk = 0.0022779 k( 83) = ( 0.5000000 0.0316279 -0.0316279), wk = 0.0022779 k( 84) = ( 0.5000000 0.0355814 -0.0355814), wk = 0.0022779 k( 85) = ( 0.5000000 0.0395349 -0.0395349), wk = 0.0022779 k( 86) = ( 0.5000000 0.0434884 -0.0434884), wk = 0.0022779 k( 87) = ( 0.5000000 0.0474419 -0.0474419), wk = 0.0022779 k( 88) = ( 0.5000000 0.0513954 -0.0513954), wk = 0.0022779 k( 89) = ( 0.5000000 0.0553488 -0.0553488), wk = 0.0022779 k( 90) = ( 0.5000000 0.0593023 -0.0593023), wk = 0.0022779 k( 91) = ( 0.5000000 0.0632558 -0.0632558), wk = 0.0022779 k( 92) = ( 0.5000000 0.0672093 -0.0672093), wk = 0.0022779 k( 93) = ( 0.5000000 0.0711628 -0.0711628), wk = 0.0022779 k( 94) = ( 0.5000000 0.0751163 -0.0751163), wk = 0.0022779 k( 95) = ( 0.5000000 0.0790698 -0.0790698), wk = 0.0022779 k( 96) = ( 0.5000000 0.0830233 -0.0830233), wk = 0.0022779 k( 97) = ( 0.5000000 0.0869767 -0.0869767), wk = 0.0022779 k( 98) = ( 0.5000000 0.0909302 -0.0909302), wk = 0.0022779 k( 99) = ( 0.5000000 0.0948837 -0.0948837), wk = 0.0022779 k( 100) = ( 0.5000000 0.0988372 -0.0988372), wk = 0.0022779 k( 101) = ( 0.5000000 0.1027907 -0.1027907), wk = 0.0022779 k( 102) = ( 0.5000000 0.1067442 -0.1067442), wk = 0.0022779 k( 103) = ( 0.5000000 0.1106977 -0.1106977), wk = 0.0022779 k( 104) = ( 0.5000000 0.1146512 -0.1146512), wk = 0.0022779 k( 105) = ( 0.5000000 0.1186047 -0.1186046), wk = 0.0022779 k( 106) = ( 0.5000000 0.1225581 -0.1225581), wk = 0.0022779 k( 107) = ( 0.5000000 0.1265116 -0.1265116), wk = 0.0022779 k( 108) = ( 0.5000000 0.1304651 -0.1304651), wk = 0.0022779 k( 109) = ( 0.5000000 0.1344186 -0.1344186), wk = 0.0022779 k( 110) = ( 0.5000000 0.1383721 -0.1383721), wk = 0.0022779 k( 111) = ( 0.5000000 0.1423256 -0.1423256), wk = 0.0022779 k( 112) = ( 0.5000000 0.1462791 -0.1462791), wk = 0.0022779 k( 113) = ( 0.5000000 0.1502326 -0.1502326), wk = 0.0022779 k( 114) = ( 0.5000000 0.1541860 -0.1541860), wk = 0.0022779 k( 115) = ( 0.5000000 0.1581395 -0.1581395), wk = 0.0022779 k( 116) = ( 0.5000000 0.1620930 -0.1620930), wk = 0.0022779 k( 117) = ( 0.5000000 0.1660465 -0.1660465), wk = 0.0022779 k( 118) = ( 0.5000000 0.1700000 -0.1700000), wk = 0.0022779 k( 119) = ( 0.8300000 0.5000000 0.1700000), wk = 0.0022779 k( 120) = ( 0.8260241 0.5000000 0.1739759), wk = 0.0022779 k( 121) = ( 0.8220482 0.5000000 0.1779518), wk = 0.0022779 k( 122) = ( 0.8180723 0.5000000 0.1819277), wk = 0.0022779 k( 123) = ( 0.8140964 0.5000000 0.1859036), wk = 0.0022779 k( 124) = ( 0.8101205 0.5000000 0.1898795), wk = 0.0022779 k( 125) = ( 0.8061446 0.5000000 0.1938554), wk = 0.0022779 k( 126) = ( 0.8021687 0.5000000 0.1978313), wk = 0.0022779 k( 127) = ( 0.7981928 0.5000000 0.2018072), wk = 0.0022779 k( 128) = ( 0.7942169 0.5000000 0.2057831), wk = 0.0022779 k( 129) = ( 0.7902410 0.5000000 0.2097590), wk = 0.0022779 k( 130) = ( 0.7862651 0.5000000 0.2137349), wk = 0.0022779 k( 131) = ( 0.7822892 0.5000000 0.2177108), wk = 0.0022779 k( 132) = ( 0.7783132 0.5000000 0.2216868), wk = 0.0022779 k( 133) = ( 0.7743374 0.5000000 0.2256627), wk = 0.0022779 k( 134) = ( 0.7703615 0.5000000 0.2296385), wk = 0.0022779 k( 135) = ( 0.7663855 0.5000000 0.2336145), wk = 0.0022779 k( 136) = ( 0.7624096 0.5000000 0.2375904), wk = 0.0022779 k( 137) = ( 0.7584337 0.5000000 0.2415663), wk = 0.0022779 k( 138) = ( 0.7544578 0.5000000 0.2455422), wk = 0.0022779 k( 139) = ( 0.7504819 0.5000000 0.2495181), wk = 0.0022779 k( 140) = ( 0.7465060 0.5000000 0.2534940), wk = 0.0022779 k( 141) = ( 0.7425301 0.5000000 0.2574699), wk = 0.0022779 k( 142) = ( 0.7385542 0.5000000 0.2614458), wk = 0.0022779 k( 143) = ( 0.7345783 0.5000000 0.2654217), wk = 0.0022779 k( 144) = ( 0.7306024 0.5000000 0.2693976), wk = 0.0022779 k( 145) = ( 0.7266265 0.5000000 0.2733735), wk = 0.0022779 k( 146) = ( 0.7226506 0.5000000 0.2773494), wk = 0.0022779 k( 147) = ( 0.7186747 0.5000000 0.2813253), wk = 0.0022779 k( 148) = ( 0.7146988 0.5000000 0.2853012), wk = 0.0022779 k( 149) = ( 0.7107229 0.5000000 0.2892771), wk = 0.0022779 k( 150) = ( 0.7067470 0.5000000 0.2932530), wk = 0.0022779 k( 151) = ( 0.7027711 0.5000000 0.2972289), wk = 0.0022779 k( 152) = ( 0.6987952 0.5000000 0.3012048), wk = 0.0022779 k( 153) = ( 0.6948193 0.5000000 0.3051807), wk = 0.0022779 k( 154) = ( 0.6908434 0.5000000 0.3091566), wk = 0.0022779 k( 155) = ( 0.6868675 0.5000000 0.3131325), wk = 0.0022779 k( 156) = ( 0.6828916 0.5000000 0.3171084), wk = 0.0022779 k( 157) = ( 0.6789157 0.5000000 0.3210843), wk = 0.0022779 k( 158) = ( 0.6749398 0.5000000 0.3250602), wk = 0.0022779 k( 159) = ( 0.6709639 0.5000000 0.3290361), wk = 0.0022779 k( 160) = ( 0.6669879 0.5000000 0.3330121), wk = 0.0022779 k( 161) = ( 0.6630120 0.5000000 0.3369879), wk = 0.0022779 k( 162) = ( 0.6590362 0.5000000 0.3409639), wk = 0.0022779 k( 163) = ( 0.6550602 0.5000000 0.3449398), wk = 0.0022779 k( 164) = ( 0.6510843 0.5000000 0.3489157), wk = 0.0022779 k( 165) = ( 0.6471084 0.5000000 0.3528916), wk = 0.0022779 k( 166) = ( 0.6431325 0.5000000 0.3568675), wk = 0.0022779 k( 167) = ( 0.6391566 0.5000000 0.3608434), wk = 0.0022779 k( 168) = ( 0.6351807 0.5000000 0.3648193), wk = 0.0022779 k( 169) = ( 0.6312048 0.5000000 0.3687952), wk = 0.0022779 k( 170) = ( 0.6272289 0.5000000 0.3727711), wk = 0.0022779 k( 171) = ( 0.6232530 0.5000000 0.3767470), wk = 0.0022779 k( 172) = ( 0.6192771 0.5000000 0.3807229), wk = 0.0022779 k( 173) = ( 0.6153012 0.5000000 0.3846988), wk = 0.0022779 k( 174) = ( 0.6113253 0.5000000 0.3886747), wk = 0.0022779 k( 175) = ( 0.6073494 0.5000000 0.3926506), wk = 0.0022779 k( 176) = ( 0.6033735 0.5000000 0.3966265), wk = 0.0022779 k( 177) = ( 0.5993976 0.5000000 0.4006024), wk = 0.0022779 k( 178) = ( 0.5954217 0.5000000 0.4045783), wk = 0.0022779 k( 179) = ( 0.5914458 0.5000000 0.4085542), wk = 0.0022779 k( 180) = ( 0.5874699 0.5000000 0.4125301), wk = 0.0022779 k( 181) = ( 0.5834940 0.5000000 0.4165060), wk = 0.0022779 k( 182) = ( 0.5795181 0.5000000 0.4204819), wk = 0.0022779 k( 183) = ( 0.5755422 0.5000000 0.4244578), wk = 0.0022779 k( 184) = ( 0.5715663 0.5000000 0.4284337), wk = 0.0022779 k( 185) = ( 0.5675904 0.5000000 0.4324096), wk = 0.0022779 k( 186) = ( 0.5636145 0.5000000 0.4363855), wk = 0.0022779 k( 187) = ( 0.5596385 0.5000000 0.4403614), wk = 0.0022779 k( 188) = ( 0.5556627 0.5000000 0.4443374), wk = 0.0022779 k( 189) = ( 0.5516868 0.5000000 0.4483132), wk = 0.0022779 k( 190) = ( 0.5477108 0.5000000 0.4522892), wk = 0.0022779 k( 191) = ( 0.5437349 0.5000000 0.4562651), wk = 0.0022779 k( 192) = ( 0.5397590 0.5000000 0.4602410), wk = 0.0022779 k( 193) = ( 0.5357831 0.5000000 0.4642169), wk = 0.0022779 k( 194) = ( 0.5318072 0.5000000 0.4681928), wk = 0.0022779 k( 195) = ( 0.5278313 0.5000000 0.4721687), wk = 0.0022779 k( 196) = ( 0.5238554 0.5000000 0.4761446), wk = 0.0022779 k( 197) = ( 0.5198795 0.5000000 0.4801205), wk = 0.0022779 k( 198) = ( 0.5159036 0.5000000 0.4840964), wk = 0.0022779 k( 199) = ( 0.5119277 0.5000000 0.4880723), wk = 0.0022779 k( 200) = ( 0.5079518 0.5000000 0.4920482), wk = 0.0022779 k( 201) = ( 0.5039759 0.5000000 0.4960241), wk = 0.0022779 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022779 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022779 k( 204) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0022779 k( 205) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0022779 k( 206) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0022779 k( 207) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0022779 k( 208) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0022779 k( 209) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0022779 k( 210) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0022779 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022779 k( 212) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0022779 k( 213) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0022779 k( 214) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0022779 k( 215) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0022779 k( 216) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0022779 k( 217) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0022779 k( 218) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0022779 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 221) = ( 0.0039881 0.0000000 -0.0039881), wk = 0.0022779 k( 222) = ( 0.0079762 -0.0000000 -0.0079762), wk = 0.0022779 k( 223) = ( 0.0119643 0.0000000 -0.0119643), wk = 0.0022779 k( 224) = ( 0.0159524 -0.0000000 -0.0159524), wk = 0.0022779 k( 225) = ( 0.0199405 0.0000000 -0.0199405), wk = 0.0022779 k( 226) = ( 0.0239286 0.0000000 -0.0239286), wk = 0.0022779 k( 227) = ( 0.0279167 0.0000000 -0.0279167), wk = 0.0022779 k( 228) = ( 0.0319048 -0.0000000 -0.0319048), wk = 0.0022779 k( 229) = ( 0.0358929 0.0000000 -0.0358929), wk = 0.0022779 k( 230) = ( 0.0398809 0.0000000 -0.0398810), wk = 0.0022779 k( 231) = ( 0.0438690 -0.0000000 -0.0438690), wk = 0.0022779 k( 232) = ( 0.0478571 0.0000000 -0.0478571), wk = 0.0022779 k( 233) = ( 0.0518452 -0.0000000 -0.0518452), wk = 0.0022779 k( 234) = ( 0.0558333 0.0000000 -0.0558333), wk = 0.0022779 k( 235) = ( 0.0598214 0.0000000 -0.0598214), wk = 0.0022779 k( 236) = ( 0.0638095 -0.0000000 -0.0638095), wk = 0.0022779 k( 237) = ( 0.0677976 0.0000000 -0.0677976), wk = 0.0022779 k( 238) = ( 0.0717857 0.0000000 -0.0717857), wk = 0.0022779 k( 239) = ( 0.0757738 -0.0000000 -0.0757738), wk = 0.0022779 k( 240) = ( 0.0797619 0.0000000 -0.0797619), wk = 0.0022779 k( 241) = ( 0.0837500 -0.0000000 -0.0837500), wk = 0.0022779 k( 242) = ( 0.0877381 -0.0000000 -0.0877381), wk = 0.0022779 k( 243) = ( 0.0917262 0.0000000 -0.0917262), wk = 0.0022779 k( 244) = ( 0.0957143 0.0000000 -0.0957143), wk = 0.0022779 k( 245) = ( 0.0997024 0.0000000 -0.0997024), wk = 0.0022779 k( 246) = ( 0.1036905 -0.0000000 -0.1036905), wk = 0.0022779 k( 247) = ( 0.1076786 -0.0000000 -0.1076786), wk = 0.0022779 k( 248) = ( 0.1116667 -0.0000000 -0.1116667), wk = 0.0022779 k( 249) = ( 0.1156548 0.0000000 -0.1156548), wk = 0.0022779 k( 250) = ( 0.1196429 0.0000000 -0.1196429), wk = 0.0022779 k( 251) = ( 0.1236310 0.0000000 -0.1236309), wk = 0.0022779 k( 252) = ( 0.1276191 -0.0000000 -0.1276191), wk = 0.0022779 k( 253) = ( 0.1316071 -0.0000000 -0.1316071), wk = 0.0022779 k( 254) = ( 0.1355952 0.0000000 -0.1355952), wk = 0.0022779 k( 255) = ( 0.1395833 0.0000000 -0.1395833), wk = 0.0022779 k( 256) = ( 0.1435714 -0.0000000 -0.1435714), wk = 0.0022779 k( 257) = ( 0.1475595 -0.0000000 -0.1475595), wk = 0.0022779 k( 258) = ( 0.1515476 -0.0000000 -0.1515476), wk = 0.0022779 k( 259) = ( 0.1555357 -0.0000000 -0.1555357), wk = 0.0022779 k( 260) = ( 0.1595238 0.0000000 -0.1595238), wk = 0.0022779 k( 261) = ( 0.1635119 0.0000000 -0.1635119), wk = 0.0022779 k( 262) = ( 0.1675000 -0.0000000 -0.1675000), wk = 0.0022779 k( 263) = ( 0.1714881 -0.0000000 -0.1714881), wk = 0.0022779 k( 264) = ( 0.1754762 0.0000000 -0.1754762), wk = 0.0022779 k( 265) = ( 0.1794643 0.0000000 -0.1794643), wk = 0.0022779 k( 266) = ( 0.1834524 0.0000000 -0.1834524), wk = 0.0022779 k( 267) = ( 0.1874405 -0.0000000 -0.1874405), wk = 0.0022779 k( 268) = ( 0.1914286 -0.0000000 -0.1914286), wk = 0.0022779 k( 269) = ( 0.1954167 0.0000000 -0.1954167), wk = 0.0022779 k( 270) = ( 0.1994048 0.0000000 -0.1994048), wk = 0.0022779 k( 271) = ( 0.2033929 0.0000000 -0.2033929), wk = 0.0022779 k( 272) = ( 0.2073810 0.0000000 -0.2073809), wk = 0.0022779 k( 273) = ( 0.2113691 -0.0000000 -0.2113691), wk = 0.0022779 k( 274) = ( 0.2153571 -0.0000000 -0.2153571), wk = 0.0022779 k( 275) = ( 0.2193452 0.0000000 -0.2193452), wk = 0.0022779 k( 276) = ( 0.2233333 0.0000000 -0.2233333), wk = 0.0022779 k( 277) = ( 0.2273214 0.0000000 -0.2273214), wk = 0.0022779 k( 278) = ( 0.2313095 0.0000000 -0.2313095), wk = 0.0022779 k( 279) = ( 0.2352976 0.0000000 -0.2352976), wk = 0.0022779 k( 280) = ( 0.2392857 0.0000000 -0.2392857), wk = 0.0022779 k( 281) = ( 0.2432738 0.0000000 -0.2432738), wk = 0.0022779 k( 282) = ( 0.2472619 0.0000000 -0.2472619), wk = 0.0022779 k( 283) = ( 0.2512500 -0.0000000 -0.2512500), wk = 0.0022779 k( 284) = ( 0.2552381 -0.0000000 -0.2552381), wk = 0.0022779 k( 285) = ( 0.2592262 -0.0000000 -0.2592262), wk = 0.0022779 k( 286) = ( 0.2632143 -0.0000000 -0.2632143), wk = 0.0022779 k( 287) = ( 0.2672024 -0.0000000 -0.2672024), wk = 0.0022779 k( 288) = ( 0.2711905 0.0000000 -0.2711905), wk = 0.0022779 k( 289) = ( 0.2751786 -0.0000000 -0.2751786), wk = 0.0022779 k( 290) = ( 0.2791667 -0.0000000 -0.2791667), wk = 0.0022779 k( 291) = ( 0.2831548 -0.0000000 -0.2831548), wk = 0.0022779 k( 292) = ( 0.2871429 -0.0000000 -0.2871429), wk = 0.0022779 k( 293) = ( 0.2911309 0.0000000 -0.2911309), wk = 0.0022779 k( 294) = ( 0.2951190 -0.0000000 -0.2951190), wk = 0.0022779 k( 295) = ( 0.2991071 0.0000000 -0.2991071), wk = 0.0022779 k( 296) = ( 0.3030952 -0.0000000 -0.3030952), wk = 0.0022779 k( 297) = ( 0.3070833 -0.0000000 -0.3070833), wk = 0.0022779 k( 298) = ( 0.3110714 0.0000000 -0.3110714), wk = 0.0022779 k( 299) = ( 0.3150595 -0.0000000 -0.3150595), wk = 0.0022779 k( 300) = ( 0.3190476 0.0000000 -0.3190476), wk = 0.0022779 k( 301) = ( 0.3230357 -0.0000000 -0.3230357), wk = 0.0022779 k( 302) = ( 0.3270238 -0.0000000 -0.3270238), wk = 0.0022779 k( 303) = ( 0.3310119 0.0000000 -0.3310119), wk = 0.0022779 k( 304) = ( 0.3350000 -0.0000000 -0.3350000), wk = 0.0022779 k( 305) = ( 0.6650000 0.3350000 -0.0000000), wk = 0.0022779 k( 306) = ( 0.6610714 0.3389286 0.0000000), wk = 0.0022779 k( 307) = ( 0.6571429 0.3428571 0.0000000), wk = 0.0022779 k( 308) = ( 0.6532143 0.3467857 0.0000000), wk = 0.0022779 k( 309) = ( 0.6492857 0.3507143 0.0000000), wk = 0.0022779 k( 310) = ( 0.6453571 0.3546429 0.0000000), wk = 0.0022779 k( 311) = ( 0.6414286 0.3585714 0.0000000), wk = 0.0022779 k( 312) = ( 0.6375000 0.3625000 0.0000000), wk = 0.0022779 k( 313) = ( 0.6335714 0.3664286 0.0000000), wk = 0.0022779 k( 314) = ( 0.6296429 0.3703571 0.0000000), wk = 0.0022779 k( 315) = ( 0.6257143 0.3742857 -0.0000000), wk = 0.0022779 k( 316) = ( 0.6217857 0.3782143 -0.0000000), wk = 0.0022779 k( 317) = ( 0.6178571 0.3821429 -0.0000000), wk = 0.0022779 k( 318) = ( 0.6139286 0.3860714 -0.0000000), wk = 0.0022779 k( 319) = ( 0.6100000 0.3900000 -0.0000000), wk = 0.0022779 k( 320) = ( 0.6060714 0.3939286 0.0000000), wk = 0.0022779 k( 321) = ( 0.6021429 0.3978571 0.0000000), wk = 0.0022779 k( 322) = ( 0.5982143 0.4017857 -0.0000000), wk = 0.0022779 k( 323) = ( 0.5942857 0.4057143 0.0000000), wk = 0.0022779 k( 324) = ( 0.5903571 0.4096429 0.0000000), wk = 0.0022779 k( 325) = ( 0.5864286 0.4135714 0.0000000), wk = 0.0022779 k( 326) = ( 0.5825000 0.4175000 0.0000000), wk = 0.0022779 k( 327) = ( 0.5785714 0.4214286 0.0000000), wk = 0.0022779 k( 328) = ( 0.5746429 0.4253571 0.0000000), wk = 0.0022779 k( 329) = ( 0.5707143 0.4292857 -0.0000000), wk = 0.0022779 k( 330) = ( 0.5667857 0.4332143 0.0000000), wk = 0.0022779 k( 331) = ( 0.5628571 0.4371429 0.0000000), wk = 0.0022779 k( 332) = ( 0.5589286 0.4410714 -0.0000000), wk = 0.0022779 k( 333) = ( 0.5550000 0.4450000 0.0000000), wk = 0.0022779 k( 334) = ( 0.5510714 0.4489286 0.0000000), wk = 0.0022779 k( 335) = ( 0.5471429 0.4528571 0.0000000), wk = 0.0022779 k( 336) = ( 0.5432143 0.4567857 -0.0000000), wk = 0.0022779 k( 337) = ( 0.5392857 0.4607143 0.0000000), wk = 0.0022779 k( 338) = ( 0.5353571 0.4646429 -0.0000000), wk = 0.0022779 k( 339) = ( 0.5314286 0.4685714 -0.0000000), wk = 0.0022779 k( 340) = ( 0.5275000 0.4725000 0.0000000), wk = 0.0022779 k( 341) = ( 0.5235714 0.4764286 0.0000000), wk = 0.0022779 k( 342) = ( 0.5196429 0.4803571 -0.0000000), wk = 0.0022779 k( 343) = ( 0.5157143 0.4842857 -0.0000000), wk = 0.0022779 k( 344) = ( 0.5117857 0.4882143 -0.0000000), wk = 0.0022779 k( 345) = ( 0.5078571 0.4921429 0.0000000), wk = 0.0022779 k( 346) = ( 0.5039286 0.4960714 -0.0000000), wk = 0.0022779 k( 347) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022779 k( 348) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022779 k( 349) = ( 0.5275000 0.5275000 0.0283333), wk = 0.0022779 k( 350) = ( 0.5550000 0.5550000 0.0566667), wk = 0.0022779 k( 351) = ( 0.5825000 0.5825000 0.0850000), wk = 0.0022779 k( 352) = ( 0.6100000 0.6100000 0.1133333), wk = 0.0022779 k( 353) = ( 0.6375000 0.6375000 0.1416667), wk = 0.0022779 k( 354) = ( 0.6650000 0.6650000 0.1700000), wk = 0.0022779 k( 355) = ( 0.6650000 0.6650000 0.1700000), wk = 0.0022779 k( 356) = ( 0.6627083 0.6627083 0.1745833), wk = 0.0022779 k( 357) = ( 0.6604167 0.6604167 0.1791667), wk = 0.0022779 k( 358) = ( 0.6581250 0.6581250 0.1837500), wk = 0.0022779 k( 359) = ( 0.6558333 0.6558333 0.1883333), wk = 0.0022779 k( 360) = ( 0.6535417 0.6535417 0.1929167), wk = 0.0022779 k( 361) = ( 0.6512500 0.6512500 0.1975000), wk = 0.0022779 k( 362) = ( 0.6489583 0.6489583 0.2020833), wk = 0.0022779 k( 363) = ( 0.6466667 0.6466667 0.2066667), wk = 0.0022779 k( 364) = ( 0.6443750 0.6443750 0.2112500), wk = 0.0022779 k( 365) = ( 0.6420833 0.6420833 0.2158333), wk = 0.0022779 k( 366) = ( 0.6397917 0.6397917 0.2204167), wk = 0.0022779 k( 367) = ( 0.6375000 0.6375000 0.2250000), wk = 0.0022779 k( 368) = ( 0.6352083 0.6352083 0.2295833), wk = 0.0022779 k( 369) = ( 0.6329167 0.6329167 0.2341667), wk = 0.0022779 k( 370) = ( 0.6306250 0.6306250 0.2387500), wk = 0.0022779 k( 371) = ( 0.6283333 0.6283333 0.2433333), wk = 0.0022779 k( 372) = ( 0.6260417 0.6260417 0.2479167), wk = 0.0022779 k( 373) = ( 0.6237500 0.6237500 0.2525000), wk = 0.0022779 k( 374) = ( 0.6214583 0.6214583 0.2570833), wk = 0.0022779 k( 375) = ( 0.6191667 0.6191667 0.2616667), wk = 0.0022779 k( 376) = ( 0.6168750 0.6168750 0.2662500), wk = 0.0022779 k( 377) = ( 0.6145833 0.6145833 0.2708333), wk = 0.0022779 k( 378) = ( 0.6122917 0.6122917 0.2754167), wk = 0.0022779 k( 379) = ( 0.6100000 0.6100000 0.2800000), wk = 0.0022779 k( 380) = ( 0.6077083 0.6077083 0.2845833), wk = 0.0022779 k( 381) = ( 0.6054167 0.6054167 0.2891667), wk = 0.0022779 k( 382) = ( 0.6031250 0.6031250 0.2937500), wk = 0.0022779 k( 383) = ( 0.6008333 0.6008333 0.2983333), wk = 0.0022779 k( 384) = ( 0.5985417 0.5985417 0.3029167), wk = 0.0022779 k( 385) = ( 0.5962500 0.5962500 0.3075000), wk = 0.0022779 k( 386) = ( 0.5939583 0.5939583 0.3120833), wk = 0.0022779 k( 387) = ( 0.5916667 0.5916667 0.3166667), wk = 0.0022779 k( 388) = ( 0.5893750 0.5893750 0.3212500), wk = 0.0022779 k( 389) = ( 0.5870833 0.5870833 0.3258333), wk = 0.0022779 k( 390) = ( 0.5847917 0.5847917 0.3304167), wk = 0.0022779 k( 391) = ( 0.5825000 0.5825000 0.3350000), wk = 0.0022779 k( 392) = ( 0.5802083 0.5802083 0.3395833), wk = 0.0022779 k( 393) = ( 0.5779167 0.5779167 0.3441667), wk = 0.0022779 k( 394) = ( 0.5756250 0.5756250 0.3487500), wk = 0.0022779 k( 395) = ( 0.5733333 0.5733333 0.3533333), wk = 0.0022779 k( 396) = ( 0.5710417 0.5710417 0.3579167), wk = 0.0022779 k( 397) = ( 0.5687500 0.5687500 0.3625000), wk = 0.0022779 k( 398) = ( 0.5664583 0.5664583 0.3670833), wk = 0.0022779 k( 399) = ( 0.5641667 0.5641667 0.3716667), wk = 0.0022779 k( 400) = ( 0.5618750 0.5618750 0.3762500), wk = 0.0022779 k( 401) = ( 0.5595833 0.5595833 0.3808333), wk = 0.0022779 k( 402) = ( 0.5572917 0.5572917 0.3854167), wk = 0.0022779 k( 403) = ( 0.5550000 0.5550000 0.3900000), wk = 0.0022779 k( 404) = ( 0.5527083 0.5527083 0.3945833), wk = 0.0022779 k( 405) = ( 0.5504167 0.5504167 0.3991667), wk = 0.0022779 k( 406) = ( 0.5481250 0.5481250 0.4037500), wk = 0.0022779 k( 407) = ( 0.5458333 0.5458333 0.4083333), wk = 0.0022779 k( 408) = ( 0.5435417 0.5435417 0.4129167), wk = 0.0022779 k( 409) = ( 0.5412500 0.5412500 0.4175000), wk = 0.0022779 k( 410) = ( 0.5389583 0.5389583 0.4220833), wk = 0.0022779 k( 411) = ( 0.5366667 0.5366667 0.4266667), wk = 0.0022779 k( 412) = ( 0.5343750 0.5343750 0.4312500), wk = 0.0022779 k( 413) = ( 0.5320833 0.5320833 0.4358333), wk = 0.0022779 k( 414) = ( 0.5297917 0.5297917 0.4404167), wk = 0.0022779 k( 415) = ( 0.5275000 0.5275000 0.4450000), wk = 0.0022779 k( 416) = ( 0.5252083 0.5252083 0.4495833), wk = 0.0022779 k( 417) = ( 0.5229167 0.5229167 0.4541667), wk = 0.0022779 k( 418) = ( 0.5206250 0.5206250 0.4587500), wk = 0.0022779 k( 419) = ( 0.5183333 0.5183333 0.4633333), wk = 0.0022779 k( 420) = ( 0.5160417 0.5160417 0.4679167), wk = 0.0022779 k( 421) = ( 0.5137500 0.5137500 0.4725000), wk = 0.0022779 k( 422) = ( 0.5114583 0.5114583 0.4770833), wk = 0.0022779 k( 423) = ( 0.5091667 0.5091667 0.4816667), wk = 0.0022779 k( 424) = ( 0.5068750 0.5068750 0.4862500), wk = 0.0022779 k( 425) = ( 0.5045833 0.5045833 0.4908333), wk = 0.0022779 k( 426) = ( 0.5022917 0.5022917 0.4954167), wk = 0.0022779 k( 427) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022779 k( 428) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022779 k( 429) = ( 0.5300000 0.0304546 0.0304545), wk = 0.0022779 k( 430) = ( 0.5600000 0.0609091 0.0609091), wk = 0.0022779 k( 431) = ( 0.5900000 0.0913636 0.0913636), wk = 0.0022779 k( 432) = ( 0.6200000 0.1218182 0.1218182), wk = 0.0022779 k( 433) = ( 0.6500000 0.1522727 0.1522727), wk = 0.0022779 k( 434) = ( 0.6800000 0.1827273 0.1827273), wk = 0.0022779 k( 435) = ( 0.7100000 0.2131818 0.2131818), wk = 0.0022779 k( 436) = ( 0.7400000 0.2436364 0.2436364), wk = 0.0022779 k( 437) = ( 0.7700000 0.2740909 0.2740909), wk = 0.0022779 k( 438) = ( 0.8000000 0.3045455 0.3045455), wk = 0.0022779 k( 439) = ( 0.8300000 0.3350000 0.3350000), wk = 0.0022779 Dense grid: 38283 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 13639 G-vectors FFT dimensions: ( 81, 81, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 50, 48) NL pseudopotentials 0.05 Mb ( 25, 140) Each V/rho on FFT grid 0.44 Mb ( 28800) Each G-vector array 0.00 Mb ( 531) G-vector shells 0.00 Mb ( 494) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 50, 192) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.21 Mb ( 140, 2, 48) Check: negative/imaginary core charge= -0.000015 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.3 secs Computing kpt #: 2 total cpu time spent up to now is 10.1 secs Computing kpt #: 3 total cpu time spent up to now is 12.6 secs Computing kpt #: 4 total cpu time spent up to now is 14.5 secs Computing kpt #: 5 total cpu time spent up to now is 16.4 secs Computing kpt #: 6 total cpu time spent up to now is 18.2 secs Computing kpt #: 7 total cpu time spent up to now is 19.6 secs Computing kpt #: 8 total cpu time spent up to now is 21.0 secs Computing kpt #: 9 total cpu time spent up to now is 22.3 secs Computing kpt #: 10 total cpu time spent up to now is 23.7 secs Computing kpt #: 11 total cpu time spent up to now is 24.8 secs Computing kpt #: 12 total cpu time spent up to now is 25.9 secs Computing kpt #: 13 total cpu time spent up to now is 27.1 secs Computing kpt #: 14 total cpu time spent up to now is 28.4 secs Computing kpt #: 15 total cpu time spent up to now is 29.5 secs Computing kpt #: 16 total cpu time spent up to now is 30.7 secs Computing kpt #: 17 total cpu time spent up to now is 31.8 secs Computing kpt #: 18 total cpu time spent up to now is 33.0 secs Computing kpt #: 19 total cpu time spent up to now is 34.1 secs Computing kpt #: 20 total cpu time spent up to now is 35.2 secs Computing kpt #: 21 total cpu time spent up to now is 36.3 secs Computing kpt #: 22 total cpu time spent up to now is 37.5 secs Computing kpt #: 23 total cpu time spent up to now is 38.5 secs Computing kpt #: 24 total cpu time spent up to now is 39.8 secs Computing kpt #: 25 total cpu time spent up to now is 40.9 secs Computing kpt #: 26 total cpu time spent up to now is 42.1 secs Computing kpt #: 27 total cpu time spent up to now is 43.3 secs Computing kpt #: 28 total cpu time spent up to now is 44.4 secs Computing kpt #: 29 total cpu time spent up to now is 45.6 secs Computing kpt #: 30 total cpu time spent up to now is 46.7 secs Computing kpt #: 31 total cpu time spent up to now is 47.8 secs Computing kpt #: 32 total cpu time spent up to now is 49.0 secs Computing kpt #: 33 total cpu time spent up to now is 50.5 secs Computing kpt #: 34 total cpu time spent up to now is 51.8 secs Computing kpt #: 35 total cpu time spent up to now is 53.1 secs Computing kpt #: 36 total cpu time spent up to now is 54.4 secs Computing kpt #: 37 total cpu time spent up to now is 55.7 secs Computing kpt #: 38 total cpu time spent up to now is 57.0 secs Computing kpt #: 39 total cpu time spent up to now is 58.3 secs Computing kpt #: 40 total cpu time spent up to now is 59.5 secs Computing kpt #: 41 total cpu time spent up to now is 60.8 secs Computing kpt #: 42 total cpu time spent up to now is 62.1 secs Computing kpt #: 43 total cpu time spent up to now is 63.3 secs Computing kpt #: 44 total cpu time spent up to now is 64.6 secs Computing kpt #: 45 total cpu time spent up to now is 65.8 secs Computing kpt #: 46 total cpu time spent up to now is 66.9 secs Computing kpt #: 47 total cpu time spent up to now is 68.0 secs Computing kpt #: 48 total cpu time spent up to now is 69.1 secs Computing kpt #: 49 total cpu time spent up to now is 70.1 secs Computing kpt #: 50 total cpu time spent up to now is 71.2 secs Computing kpt #: 51 total cpu time spent up to now is 72.3 secs Computing kpt #: 52 total cpu time spent up to now is 73.3 secs Computing kpt #: 53 total cpu time spent up to now is 74.4 secs Computing kpt #: 54 total cpu time spent up to now is 75.4 secs Computing kpt #: 55 total cpu time spent up to now is 76.5 secs Computing kpt #: 56 total cpu time spent up to now is 77.5 secs Computing kpt #: 57 total cpu time spent up to now is 78.6 secs Computing kpt #: 58 total cpu time spent up to now is 80.6 secs Computing kpt #: 59 total cpu time spent up to now is 81.8 secs Computing kpt #: 60 total cpu time spent up to now is 83.0 secs Computing kpt #: 61 total cpu time spent up to now is 84.3 secs Computing kpt #: 62 total cpu time spent up to now is 85.7 secs Computing kpt #: 63 total cpu time spent up to now is 87.0 secs Computing kpt #: 64 total cpu time spent up to now is 88.5 secs Computing kpt #: 65 total cpu time spent up to now is 89.7 secs Computing kpt #: 66 total cpu time spent up to now is 91.1 secs Computing kpt #: 67 total cpu time spent up to now is 92.4 secs Computing kpt #: 68 total cpu time spent up to now is 93.8 secs Computing kpt #: 69 total cpu time spent up to now is 95.2 secs Computing kpt #: 70 total cpu time spent up to now is 96.5 secs Computing kpt #: 71 total cpu time spent up to now is 97.9 secs Computing kpt #: 72 total cpu time spent up to now is 99.3 secs Computing kpt #: 73 total cpu time spent up to now is 100.5 secs Computing kpt #: 74 total cpu time spent up to now is 102.0 secs Computing kpt #: 75 total cpu time spent up to now is 103.2 secs Computing kpt #: 76 total cpu time spent up to now is 104.5 secs Computing kpt #: 77 total cpu time spent up to now is 105.9 secs Computing kpt #: 78 total cpu time spent up to now is 107.2 secs Computing kpt #: 79 total cpu time spent up to now is 108.6 secs Computing kpt #: 80 total cpu time spent up to now is 109.9 secs Computing kpt #: 81 total cpu time spent up to now is 111.2 secs Computing kpt #: 82 total cpu time spent up to now is 112.5 secs Computing kpt #: 83 total cpu time spent up to now is 113.9 secs Computing kpt #: 84 total cpu time spent up to now is 115.0 secs Computing kpt #: 85 total cpu time spent up to now is 116.1 secs Computing kpt #: 86 total cpu time spent up to now is 117.3 secs Computing kpt #: 87 total cpu time spent up to now is 118.3 secs Computing kpt #: 88 total cpu time spent up to now is 119.5 secs Computing kpt #: 89 total cpu time spent up to now is 120.5 secs Computing kpt #: 90 total cpu time spent up to now is 121.7 secs Computing kpt #: 91 total cpu time spent up to now is 122.6 secs Computing kpt #: 92 total cpu time spent up to now is 123.8 secs Computing kpt #: 93 total cpu time spent up to now is 124.9 secs Computing kpt #: 94 total cpu time spent up to now is 126.0 secs Computing kpt #: 95 total cpu time spent up to now is 127.1 secs Computing kpt #: 96 total cpu time spent up to now is 128.4 secs Computing kpt #: 97 total cpu time spent up to now is 129.7 secs Computing kpt #: 98 total cpu time spent up to now is 130.9 secs Computing kpt #: 99 total cpu time spent up to now is 132.4 secs Computing kpt #: 100 total cpu time spent up to now is 133.8 secs Computing kpt #: 101 total cpu time spent up to now is 135.1 secs Computing kpt #: 102 total cpu time spent up to now is 136.5 secs Computing kpt #: 103 total cpu time spent up to now is 137.8 secs Computing kpt #: 104 total cpu time spent up to now is 139.0 secs Computing kpt #: 105 total cpu time spent up to now is 140.1 secs Computing kpt #: 106 total cpu time spent up to now is 141.2 secs Computing kpt #: 107 total cpu time spent up to now is 142.2 secs Computing kpt #: 108 total cpu time spent up to now is 143.3 secs Computing kpt #: 109 total cpu time spent up to now is 144.3 secs Computing kpt #: 110 total cpu time spent up to now is 145.3 secs Computing kpt #: 111 total cpu time spent up to now is 146.3 secs Computing kpt #: 112 total cpu time spent up to now is 147.3 secs Computing kpt #: 113 total cpu time spent up to now is 148.4 secs Computing kpt #: 114 total cpu time spent up to now is 149.4 secs Computing kpt #: 115 total cpu time spent up to now is 150.4 secs Computing kpt #: 116 total cpu time spent up to now is 151.4 secs Computing kpt #: 117 total cpu time spent up to now is 152.5 secs Computing kpt #: 118 total cpu time spent up to now is 153.4 secs Computing kpt #: 119 total cpu time spent up to now is 154.5 secs Computing kpt #: 120 total cpu time spent up to now is 155.5 secs Computing kpt #: 121 total cpu time spent up to now is 156.5 secs Computing kpt #: 122 total cpu time spent up to now is 157.8 secs Computing kpt #: 123 total cpu time spent up to now is 158.8 secs Computing kpt #: 124 total cpu time spent up to now is 159.8 secs Computing kpt #: 125 total cpu time spent up to now is 160.8 secs Computing kpt #: 126 total cpu time spent up to now is 161.9 secs Computing kpt #: 127 total cpu time spent up to now is 163.0 secs Computing kpt #: 128 total cpu time spent up to now is 164.0 secs Computing kpt #: 129 total cpu time spent up to now is 165.1 secs Computing kpt #: 130 total cpu time spent up to now is 166.2 secs Computing kpt #: 131 total cpu time spent up to now is 167.3 secs Computing kpt #: 132 total cpu time spent up to now is 168.4 secs Computing kpt #: 133 total cpu time spent up to now is 169.5 secs Computing kpt #: 134 total cpu time spent up to now is 170.6 secs Computing kpt #: 135 total cpu time spent up to now is 171.8 secs Computing kpt #: 136 total cpu time spent up to now is 173.3 secs Computing kpt #: 137 total cpu time spent up to now is 174.5 secs Computing kpt #: 138 total cpu time spent up to now is 175.5 secs Computing kpt #: 139 total cpu time spent up to now is 176.6 secs Computing kpt #: 140 total cpu time spent up to now is 177.8 secs Computing kpt #: 141 total cpu time spent up to now is 179.0 secs Computing kpt #: 142 total cpu time spent up to now is 180.2 secs Computing kpt #: 143 total cpu time spent up to now is 181.3 secs Computing kpt #: 144 total cpu time spent up to now is 182.4 secs Computing kpt #: 145 total cpu time spent up to now is 183.7 secs Computing kpt #: 146 total cpu time spent up to now is 184.7 secs Computing kpt #: 147 total cpu time spent up to now is 185.9 secs Computing kpt #: 148 total cpu time spent up to now is 187.0 secs Computing kpt #: 149 total cpu time spent up to now is 188.1 secs Computing kpt #: 150 total cpu time spent up to now is 189.1 secs Computing kpt #: 151 total cpu time spent up to now is 190.3 secs Computing kpt #: 152 total cpu time spent up to now is 191.4 secs Computing kpt #: 153 total cpu time spent up to now is 192.5 secs Computing kpt #: 154 total cpu time spent up to now is 193.6 secs Computing kpt #: 155 total cpu time spent up to now is 194.6 secs Computing kpt #: 156 total cpu time spent up to now is 195.8 secs Computing kpt #: 157 total cpu time spent up to now is 196.9 secs Computing kpt #: 158 total cpu time spent up to now is 198.1 secs Computing kpt #: 159 total cpu time spent up to now is 199.1 secs Computing kpt #: 160 total cpu time spent up to now is 200.1 secs Computing kpt #: 161 total cpu time spent up to now is 201.3 secs Computing kpt #: 162 total cpu time spent up to now is 202.4 secs Computing kpt #: 163 total cpu time spent up to now is 203.6 secs Computing kpt #: 164 total cpu time spent up to now is 204.7 secs Computing kpt #: 165 total cpu time spent up to now is 205.7 secs Computing kpt #: 166 total cpu time spent up to now is 206.8 secs Computing kpt #: 167 total cpu time spent up to now is 208.0 secs Computing kpt #: 168 total cpu time spent up to now is 209.2 secs Computing kpt #: 169 total cpu time spent up to now is 210.3 secs Computing kpt #: 170 total cpu time spent up to now is 211.5 secs Computing kpt #: 171 total cpu time spent up to now is 212.5 secs Computing kpt #: 172 total cpu time spent up to now is 213.7 secs Computing kpt #: 173 total cpu time spent up to now is 214.8 secs Computing kpt #: 174 total cpu time spent up to now is 216.0 secs Computing kpt #: 175 total cpu time spent up to now is 217.1 secs Computing kpt #: 176 total cpu time spent up to now is 218.2 secs Computing kpt #: 177 total cpu time spent up to now is 219.3 secs Computing kpt #: 178 total cpu time spent up to now is 220.5 secs Computing kpt #: 179 total cpu time spent up to now is 221.6 secs Computing kpt #: 180 total cpu time spent up to now is 222.8 secs Computing kpt #: 181 total cpu time spent up to now is 223.9 secs Computing kpt #: 182 total cpu time spent up to now is 225.0 secs Computing kpt #: 183 total cpu time spent up to now is 226.1 secs Computing kpt #: 184 total cpu time spent up to now is 227.3 secs Computing kpt #: 185 total cpu time spent up to now is 228.4 secs Computing kpt #: 186 total cpu time spent up to now is 229.6 secs Computing kpt #: 187 total cpu time spent up to now is 230.9 secs Computing kpt #: 188 total cpu time spent up to now is 232.0 secs Computing kpt #: 189 total cpu time spent up to now is 233.1 secs Computing kpt #: 190 total cpu time spent up to now is 234.2 secs Computing kpt #: 191 total cpu time spent up to now is 235.5 secs Computing kpt #: 192 total cpu time spent up to now is 236.9 secs Computing kpt #: 193 total cpu time spent up to now is 238.1 secs Computing kpt #: 194 total cpu time spent up to now is 239.4 secs Computing kpt #: 195 total cpu time spent up to now is 240.5 secs Computing kpt #: 196 total cpu time spent up to now is 241.5 secs Computing kpt #: 197 total cpu time spent up to now is 242.7 secs Computing kpt #: 198 total cpu time spent up to now is 243.9 secs Computing kpt #: 199 total cpu time spent up to now is 245.0 secs Computing kpt #: 200 total cpu time spent up to now is 246.2 secs Computing kpt #: 201 total cpu time spent up to now is 247.4 secs Computing kpt #: 202 total cpu time spent up to now is 248.5 secs Computing kpt #: 203 total cpu time spent up to now is 249.6 secs Computing kpt #: 204 total cpu time spent up to now is 251.8 secs Computing kpt #: 205 total cpu time spent up to now is 253.0 secs Computing kpt #: 206 total cpu time spent up to now is 254.3 secs Computing kpt #: 207 total cpu time spent up to now is 255.8 secs Computing kpt #: 208 total cpu time spent up to now is 257.3 secs Computing kpt #: 209 total cpu time spent up to now is 258.8 secs Computing kpt #: 210 total cpu time spent up to now is 260.5 secs Computing kpt #: 211 total cpu time spent up to now is 262.6 secs Computing kpt #: 212 total cpu time spent up to now is 264.8 secs Computing kpt #: 213 total cpu time spent up to now is 267.6 secs Computing kpt #: 214 total cpu time spent up to now is 269.5 secs Computing kpt #: 215 total cpu time spent up to now is 272.2 secs Computing kpt #: 216 total cpu time spent up to now is 275.0 secs Computing kpt #: 217 total cpu time spent up to now is 278.5 secs Computing kpt #: 218 total cpu time spent up to now is 281.3 secs Computing kpt #: 219 total cpu time spent up to now is 284.0 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.3 secs Computing kpt #: 221 total cpu time spent up to now is 290.5 secs Computing kpt #: 222 total cpu time spent up to now is 292.7 secs Computing kpt #: 223 total cpu time spent up to now is 294.9 secs Computing kpt #: 224 total cpu time spent up to now is 296.8 secs Computing kpt #: 225 total cpu time spent up to now is 298.5 secs Computing kpt #: 226 total cpu time spent up to now is 300.1 secs Computing kpt #: 227 total cpu time spent up to now is 301.5 secs Computing kpt #: 228 total cpu time spent up to now is 302.9 secs Computing kpt #: 229 total cpu time spent up to now is 304.4 secs Computing kpt #: 230 total cpu time spent up to now is 305.8 secs Computing kpt #: 231 total cpu time spent up to now is 307.2 secs Computing kpt #: 232 total cpu time spent up to now is 308.7 secs Computing kpt #: 233 total cpu time spent up to now is 310.2 secs Computing kpt #: 234 total cpu time spent up to now is 312.5 secs Computing kpt #: 235 total cpu time spent up to now is 313.9 secs Computing kpt #: 236 total cpu time spent up to now is 315.4 secs Computing kpt #: 237 total cpu time spent up to now is 317.1 secs Computing kpt #: 238 total cpu time spent up to now is 318.8 secs Computing kpt #: 239 total cpu time spent up to now is 320.1 secs Computing kpt #: 240 total cpu time spent up to now is 321.6 secs Computing kpt #: 241 total cpu time spent up to now is 322.9 secs Computing kpt #: 242 total cpu time spent up to now is 324.4 secs Computing kpt #: 243 total cpu time spent up to now is 325.8 secs Computing kpt #: 244 total cpu time spent up to now is 327.6 secs Computing kpt #: 245 total cpu time spent up to now is 328.7 secs Computing kpt #: 246 total cpu time spent up to now is 330.0 secs Computing kpt #: 247 total cpu time spent up to now is 331.1 secs Computing kpt #: 248 total cpu time spent up to now is 332.3 secs Computing kpt #: 249 total cpu time spent up to now is 333.4 secs Computing kpt #: 250 total cpu time spent up to now is 334.6 secs Computing kpt #: 251 total cpu time spent up to now is 335.7 secs Computing kpt #: 252 total cpu time spent up to now is 336.9 secs Computing kpt #: 253 total cpu time spent up to now is 338.0 secs Computing kpt #: 254 total cpu time spent up to now is 339.1 secs Computing kpt #: 255 total cpu time spent up to now is 340.2 secs Computing kpt #: 256 total cpu time spent up to now is 341.4 secs Computing kpt #: 257 total cpu time spent up to now is 342.6 secs Computing kpt #: 258 total cpu time spent up to now is 343.9 secs Computing kpt #: 259 total cpu time spent up to now is 345.2 secs Computing kpt #: 260 total cpu time spent up to now is 346.6 secs Computing kpt #: 261 total cpu time spent up to now is 347.9 secs Computing kpt #: 262 total cpu time spent up to now is 349.3 secs Computing kpt #: 263 total cpu time spent up to now is 350.6 secs Computing kpt #: 264 total cpu time spent up to now is 352.0 secs Computing kpt #: 265 total cpu time spent up to now is 353.4 secs Computing kpt #: 266 total cpu time spent up to now is 354.8 secs Computing kpt #: 267 total cpu time spent up to now is 356.2 secs Computing kpt #: 268 total cpu time spent up to now is 358.3 secs Computing kpt #: 269 total cpu time spent up to now is 359.6 secs Computing kpt #: 270 total cpu time spent up to now is 361.0 secs Computing kpt #: 271 total cpu time spent up to now is 362.4 secs Computing kpt #: 272 total cpu time spent up to now is 363.7 secs Computing kpt #: 273 total cpu time spent up to now is 365.1 secs Computing kpt #: 274 total cpu time spent up to now is 366.2 secs Computing kpt #: 275 total cpu time spent up to now is 367.4 secs Computing kpt #: 276 total cpu time spent up to now is 368.5 secs Computing kpt #: 277 total cpu time spent up to now is 369.6 secs Computing kpt #: 278 total cpu time spent up to now is 370.7 secs Computing kpt #: 279 total cpu time spent up to now is 371.8 secs Computing kpt #: 280 total cpu time spent up to now is 372.9 secs Computing kpt #: 281 total cpu time spent up to now is 374.0 secs Computing kpt #: 282 total cpu time spent up to now is 375.2 secs Computing kpt #: 283 total cpu time spent up to now is 376.2 secs Computing kpt #: 284 total cpu time spent up to now is 377.2 secs Computing kpt #: 285 total cpu time spent up to now is 378.3 secs Computing kpt #: 286 total cpu time spent up to now is 379.3 secs Computing kpt #: 287 total cpu time spent up to now is 380.4 secs Computing kpt #: 288 total cpu time spent up to now is 381.6 secs Computing kpt #: 289 total cpu time spent up to now is 382.7 secs Computing kpt #: 290 total cpu time spent up to now is 384.8 secs Computing kpt #: 291 total cpu time spent up to now is 386.0 secs Computing kpt #: 292 total cpu time spent up to now is 387.2 secs Computing kpt #: 293 total cpu time spent up to now is 388.5 secs Computing kpt #: 294 total cpu time spent up to now is 389.9 secs Computing kpt #: 295 total cpu time spent up to now is 391.2 secs Computing kpt #: 296 total cpu time spent up to now is 392.5 secs Computing kpt #: 297 total cpu time spent up to now is 393.6 secs Computing kpt #: 298 total cpu time spent up to now is 394.7 secs Computing kpt #: 299 total cpu time spent up to now is 395.8 secs Computing kpt #: 300 total cpu time spent up to now is 396.9 secs Computing kpt #: 301 total cpu time spent up to now is 398.0 secs Computing kpt #: 302 total cpu time spent up to now is 399.1 secs Computing kpt #: 303 total cpu time spent up to now is 400.3 secs Computing kpt #: 304 total cpu time spent up to now is 401.6 secs Computing kpt #: 305 total cpu time spent up to now is 402.9 secs Computing kpt #: 306 total cpu time spent up to now is 404.3 secs Computing kpt #: 307 total cpu time spent up to now is 405.7 secs Computing kpt #: 308 total cpu time spent up to now is 407.1 secs Computing kpt #: 309 total cpu time spent up to now is 408.5 secs Computing kpt #: 310 total cpu time spent up to now is 410.0 secs Computing kpt #: 311 total cpu time spent up to now is 411.6 secs Computing kpt #: 312 total cpu time spent up to now is 413.1 secs Computing kpt #: 313 total cpu time spent up to now is 414.6 secs Computing kpt #: 314 total cpu time spent up to now is 416.1 secs Computing kpt #: 315 total cpu time spent up to now is 418.2 secs Computing kpt #: 316 total cpu time spent up to now is 420.2 secs Computing kpt #: 317 total cpu time spent up to now is 421.9 secs Computing kpt #: 318 total cpu time spent up to now is 423.4 secs Computing kpt #: 319 total cpu time spent up to now is 424.7 secs Computing kpt #: 320 total cpu time spent up to now is 426.1 secs Computing kpt #: 321 total cpu time spent up to now is 427.4 secs Computing kpt #: 322 total cpu time spent up to now is 428.7 secs Computing kpt #: 323 total cpu time spent up to now is 430.0 secs Computing kpt #: 324 total cpu time spent up to now is 431.3 secs Computing kpt #: 325 total cpu time spent up to now is 432.6 secs Computing kpt #: 326 total cpu time spent up to now is 433.9 secs Computing kpt #: 327 total cpu time spent up to now is 435.1 secs Computing kpt #: 328 total cpu time spent up to now is 436.4 secs Computing kpt #: 329 total cpu time spent up to now is 437.7 secs Computing kpt #: 330 total cpu time spent up to now is 439.1 secs Computing kpt #: 331 total cpu time spent up to now is 440.5 secs Computing kpt #: 332 total cpu time spent up to now is 441.8 secs Computing kpt #: 333 total cpu time spent up to now is 443.0 secs Computing kpt #: 334 total cpu time spent up to now is 444.3 secs Computing kpt #: 335 total cpu time spent up to now is 445.4 secs Computing kpt #: 336 total cpu time spent up to now is 446.5 secs Computing kpt #: 337 total cpu time spent up to now is 447.5 secs Computing kpt #: 338 total cpu time spent up to now is 448.6 secs Computing kpt #: 339 total cpu time spent up to now is 449.6 secs Computing kpt #: 340 total cpu time spent up to now is 452.4 secs Computing kpt #: 341 total cpu time spent up to now is 453.4 secs Computing kpt #: 342 total cpu time spent up to now is 454.4 secs Computing kpt #: 343 total cpu time spent up to now is 455.3 secs Computing kpt #: 344 total cpu time spent up to now is 456.3 secs Computing kpt #: 345 total cpu time spent up to now is 457.2 secs Computing kpt #: 346 total cpu time spent up to now is 458.1 secs Computing kpt #: 347 total cpu time spent up to now is 459.1 secs Computing kpt #: 348 total cpu time spent up to now is 460.1 secs Computing kpt #: 349 total cpu time spent up to now is 461.1 secs Computing kpt #: 350 total cpu time spent up to now is 462.1 secs Computing kpt #: 351 total cpu time spent up to now is 463.1 secs Computing kpt #: 352 total cpu time spent up to now is 464.1 secs Computing kpt #: 353 total cpu time spent up to now is 465.1 secs Computing kpt #: 354 total cpu time spent up to now is 467.3 secs Computing kpt #: 355 total cpu time spent up to now is 468.3 secs Computing kpt #: 356 total cpu time spent up to now is 469.3 secs Computing kpt #: 357 total cpu time spent up to now is 470.3 secs Computing kpt #: 358 total cpu time spent up to now is 471.3 secs Computing kpt #: 359 total cpu time spent up to now is 472.4 secs Computing kpt #: 360 total cpu time spent up to now is 473.4 secs Computing kpt #: 361 total cpu time spent up to now is 474.4 secs Computing kpt #: 362 total cpu time spent up to now is 475.5 secs Computing kpt #: 363 total cpu time spent up to now is 476.6 secs Computing kpt #: 364 total cpu time spent up to now is 477.7 secs Computing kpt #: 365 total cpu time spent up to now is 479.0 secs Computing kpt #: 366 total cpu time spent up to now is 480.3 secs Computing kpt #: 367 total cpu time spent up to now is 481.6 secs Computing kpt #: 368 total cpu time spent up to now is 482.8 secs Computing kpt #: 369 total cpu time spent up to now is 484.1 secs Computing kpt #: 370 total cpu time spent up to now is 485.4 secs Computing kpt #: 371 total cpu time spent up to now is 486.8 secs Computing kpt #: 372 total cpu time spent up to now is 488.2 secs Computing kpt #: 373 total cpu time spent up to now is 489.6 secs Computing kpt #: 374 total cpu time spent up to now is 491.1 secs Computing kpt #: 375 total cpu time spent up to now is 492.4 secs Computing kpt #: 376 total cpu time spent up to now is 493.8 secs Computing kpt #: 377 total cpu time spent up to now is 495.0 secs Computing kpt #: 378 total cpu time spent up to now is 496.1 secs Computing kpt #: 379 total cpu time spent up to now is 497.2 secs Computing kpt #: 380 total cpu time spent up to now is 498.3 secs Computing kpt #: 381 total cpu time spent up to now is 499.3 secs Computing kpt #: 382 total cpu time spent up to now is 500.5 secs Computing kpt #: 383 total cpu time spent up to now is 501.7 secs Computing kpt #: 384 total cpu time spent up to now is 502.8 secs Computing kpt #: 385 total cpu time spent up to now is 503.9 secs Computing kpt #: 386 total cpu time spent up to now is 505.0 secs Computing kpt #: 387 total cpu time spent up to now is 506.2 secs Computing kpt #: 388 total cpu time spent up to now is 507.4 secs Computing kpt #: 389 total cpu time spent up to now is 508.6 secs Computing kpt #: 390 total cpu time spent up to now is 510.1 secs Computing kpt #: 391 total cpu time spent up to now is 511.6 secs Computing kpt #: 392 total cpu time spent up to now is 513.1 secs Computing kpt #: 393 total cpu time spent up to now is 514.6 secs Computing kpt #: 394 total cpu time spent up to now is 516.1 secs Computing kpt #: 395 total cpu time spent up to now is 517.6 secs Computing kpt #: 396 total cpu time spent up to now is 519.1 secs Computing kpt #: 397 total cpu time spent up to now is 520.7 secs Computing kpt #: 398 total cpu time spent up to now is 522.1 secs Computing kpt #: 399 total cpu time spent up to now is 523.5 secs Computing kpt #: 400 total cpu time spent up to now is 524.7 secs Computing kpt #: 401 total cpu time spent up to now is 525.9 secs Computing kpt #: 402 total cpu time spent up to now is 527.2 secs Computing kpt #: 403 total cpu time spent up to now is 528.6 secs Computing kpt #: 404 total cpu time spent up to now is 530.1 secs Computing kpt #: 405 total cpu time spent up to now is 531.5 secs Computing kpt #: 406 total cpu time spent up to now is 533.0 secs Computing kpt #: 407 total cpu time spent up to now is 534.6 secs Computing kpt #: 408 total cpu time spent up to now is 536.0 secs Computing kpt #: 409 total cpu time spent up to now is 537.4 secs Computing kpt #: 410 total cpu time spent up to now is 538.5 secs Computing kpt #: 411 total cpu time spent up to now is 539.7 secs Computing kpt #: 412 total cpu time spent up to now is 540.9 secs Computing kpt #: 413 total cpu time spent up to now is 542.0 secs Computing kpt #: 414 total cpu time spent up to now is 543.1 secs Computing kpt #: 415 total cpu time spent up to now is 544.2 secs Computing kpt #: 416 total cpu time spent up to now is 545.3 secs Computing kpt #: 417 total cpu time spent up to now is 546.4 secs Computing kpt #: 418 total cpu time spent up to now is 547.4 secs Computing kpt #: 419 total cpu time spent up to now is 548.5 secs Computing kpt #: 420 total cpu time spent up to now is 549.6 secs Computing kpt #: 421 total cpu time spent up to now is 550.7 secs Computing kpt #: 422 total cpu time spent up to now is 551.8 secs Computing kpt #: 423 total cpu time spent up to now is 552.9 secs Computing kpt #: 424 total cpu time spent up to now is 554.0 secs Computing kpt #: 425 total cpu time spent up to now is 555.1 secs Computing kpt #: 426 total cpu time spent up to now is 556.3 secs Computing kpt #: 427 total cpu time spent up to now is 557.5 secs Computing kpt #: 428 total cpu time spent up to now is 558.8 secs Computing kpt #: 429 total cpu time spent up to now is 560.1 secs Computing kpt #: 430 total cpu time spent up to now is 561.5 secs Computing kpt #: 431 total cpu time spent up to now is 562.8 secs Computing kpt #: 432 total cpu time spent up to now is 564.1 secs Computing kpt #: 433 total cpu time spent up to now is 565.5 secs Computing kpt #: 434 total cpu time spent up to now is 566.6 secs Computing kpt #: 435 total cpu time spent up to now is 567.7 secs Computing kpt #: 436 total cpu time spent up to now is 568.8 secs Computing kpt #: 437 total cpu time spent up to now is 569.9 secs Computing kpt #: 438 total cpu time spent up to now is 571.0 secs Computing kpt #: 439 total cpu time spent up to now is 572.0 secs ethr = 2.50E-08, avg # of iterations = 23.5 total cpu time spent up to now is 572.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1683 PWs) bands (ev): -8.1372 -8.1372 -7.0586 -7.0586 -7.0094 -7.0094 -3.8636 -3.8636 -3.8601 -3.8601 1.9238 1.9238 1.9428 1.9428 8.4559 8.4559 8.5064 8.5064 10.6089 10.6089 10.6169 10.6169 10.6732 10.6732 10.6812 10.6812 12.0000 12.0000 12.0084 12.0084 12.1277 12.1277 12.1363 12.1363 13.2650 13.2650 13.4407 13.4407 13.4496 13.4496 18.7094 18.7094 18.7174 18.7174 19.1446 19.1446 20.1305 20.1305 k = 0.0068-0.0276-0.0161 ( 1683 PWs) bands (ev): -8.1360 -8.1360 -7.0579 -7.0579 -7.0077 -7.0077 -3.8700 -3.8700 -3.8516 -3.8516 1.9180 1.9180 1.9505 1.9505 8.4518 8.4518 8.5111 8.5111 10.6035 10.6035 10.6124 10.6124 10.6691 10.6691 10.6775 10.6775 11.9942 11.9942 12.0040 12.0040 12.1252 12.1252 12.1337 12.1337 13.2629 13.2629 13.4368 13.4368 13.4463 13.4463 18.7117 18.7117 18.7197 18.7197 19.1472 19.1472 20.1313 20.1313 k = 0.0137-0.0552-0.0322 ( 1684 PWs) bands (ev): -8.1325 -8.1325 -7.0560 -7.0560 -7.0028 -7.0028 -3.8756 -3.8756 -3.8394 -3.8394 1.9092 1.9092 1.9651 1.9651 8.4423 8.4423 8.5223 8.5223 10.5842 10.5842 10.6023 10.6023 10.6547 10.6547 10.6685 10.6685 11.9730 11.9730 11.9950 11.9950 12.1162 12.1162 12.1269 12.1269 13.2566 13.2566 13.4225 13.4225 13.4389 13.4389 18.7179 18.7179 18.7271 18.7271 19.1549 19.1549 20.1303 20.1303 k = 0.0205-0.0828-0.0483 ( 1687 PWs) bands (ev): -8.1267 -8.1267 -7.0525 -7.0525 -6.9948 -6.9948 -3.8792 -3.8792 -3.8250 -3.8250 1.9014 1.9014 1.9825 1.9825 8.4308 8.4308 8.5366 8.5366 10.5505 10.5505 10.5877 10.5877 10.6286 10.6286 10.6555 10.6555 11.9367 11.9367 11.9825 11.9825 12.0986 12.0986 12.1172 12.1172 13.2462 13.2462 13.3967 13.3967 13.4289 13.4289 18.7270 18.7270 18.7403 18.7403 19.1676 19.1676 20.1263 20.1263 k = 0.0274-0.1105-0.0644 ( 1688 PWs) bands (ev): -8.1186 -8.1186 -7.0474 -7.0474 -6.9839 -6.9839 -3.8806 -3.8806 -3.8084 -3.8084 1.8953 1.8953 2.0021 2.0021 8.4188 8.4188 8.5525 8.5525 10.5038 10.5038 10.5678 10.5678 10.5912 10.5912 10.6380 10.6380 11.8873 11.8873 11.9655 11.9655 12.0717 12.0717 12.1046 12.1046 13.2315 13.2315 13.3604 13.3604 13.4155 13.4155 18.7383 18.7383 18.7596 18.7596 19.1850 19.1850 20.1198 20.1198 k = 0.0342-0.1381-0.0805 ( 1685 PWs) bands (ev): -8.1082 -8.1082 -7.0404 -7.0404 -6.9702 -6.9702 -3.8797 -3.8797 -3.7896 -3.7896 1.8911 1.8911 2.0239 2.0239 8.4069 8.4069 8.5694 8.5694 10.4447 10.4447 10.5410 10.5410 10.5446 10.5446 10.6159 10.6159 11.8258 11.8258 11.9439 11.9439 12.0356 12.0356 12.0888 12.0888 13.2125 13.2125 13.3145 13.3145 13.3986 13.3986 18.7515 18.7515 18.7846 18.7846 19.2067 19.2067 20.1108 20.1108 k = 0.0411-0.1657-0.0966 ( 1686 PWs) bands (ev): -8.0955 -8.0955 -7.0316 -7.0316 -6.9539 -6.9539 -3.8768 -3.8768 -3.7687 -3.7687 1.8887 1.8887 2.0474 2.0474 8.3954 8.3954 8.5869 8.5869 10.3740 10.3740 10.4830 10.4830 10.5132 10.5132 10.5892 10.5892 11.7533 11.7533 11.9181 11.9181 11.9899 11.9899 12.0694 12.0694 13.1882 13.1882 13.2606 13.2606 13.3782 13.3782 18.7659 18.7659 18.8151 18.8151 19.2321 19.2321 20.0990 20.0990 k = 0.0479-0.1933-0.1127 ( 1682 PWs) bands (ev): -8.0804 -8.0804 -7.0207 -7.0207 -6.9350 -6.9350 -3.8716 -3.8716 -3.7456 -3.7456 1.8883 1.8883 2.0728 2.0728 8.3841 8.3841 8.6049 8.6049 10.2922 10.2922 10.4132 10.4132 10.4785 10.4785 10.5580 10.5580 11.6702 11.6702 11.8881 11.8881 11.9353 11.9353 12.0467 12.0467 13.1539 13.1539 13.2039 13.2039 13.3542 13.3542 18.7810 18.7810 18.8508 18.8508 19.2609 19.2609 20.0843 20.0843 k = 0.0548-0.2209-0.1288 ( 1685 PWs) bands (ev): -8.0631 -8.0631 -7.0077 -7.0077 -6.9136 -6.9136 -3.8643 -3.8643 -3.7203 -3.7203 1.8898 1.8898 2.1001 2.1001 8.3733 8.3733 8.6231 8.6231 10.2001 10.2001 10.3333 10.3333 10.4393 10.4393 10.5225 10.5225 11.5772 11.5772 11.8537 11.8537 11.8716 11.8716 12.0203 12.0203 13.0970 13.0970 13.1578 13.1578 13.3269 13.3269 18.7960 18.7960 18.8917 18.8917 19.2923 19.2923 20.0667 20.0667 k = 0.0616-0.2485-0.1449 ( 1685 PWs) bands (ev): -8.0434 -8.0434 -6.9925 -6.9925 -6.8898 -6.8898 -3.8547 -3.8547 -3.6929 -3.6929 1.8931 1.8931 2.1293 2.1293 8.3628 8.3628 8.6415 8.6415 10.0981 10.0981 10.2437 10.2437 10.3960 10.3960 10.4829 10.4829 11.4751 11.4751 11.7979 11.7979 11.8172 11.8172 11.9906 11.9906 13.0191 13.0191 13.1211 13.1211 13.2962 13.2962 18.8103 18.8103 18.9373 18.9373 19.3255 19.3255 20.0460 20.0460 k = 0.0685-0.2761-0.1610 ( 1681 PWs) bands (ev): -8.0214 -8.0214 -6.9752 -6.9752 -6.8636 -6.8636 -3.8430 -3.8430 -3.6634 -3.6634 1.8984 1.8984 2.1603 2.1603 8.3528 8.3528 8.6601 8.6601 9.9868 9.9868 10.1451 10.1451 10.3487 10.3487 10.4393 10.4393 11.3644 11.3644 11.7174 11.7174 11.7758 11.7758 11.9575 11.9575 12.9296 12.9296 13.0854 13.0854 13.2624 13.2624 18.8232 18.8232 18.9875 18.9875 19.3600 19.3600 20.0228 20.0228 k = 0.0753-0.3038-0.1771 ( 1683 PWs) bands (ev): -7.9971 -7.9971 -6.9557 -6.9557 -6.8351 -6.8351 -3.8292 -3.8292 -3.6317 -3.6317 1.9056 1.9056 2.1931 2.1931 8.3430 8.3430 8.6783 8.6783 9.8671 9.8671 10.0379 10.0379 10.2979 10.2979 10.3920 10.3920 11.2457 11.2457 11.6288 11.6288 11.7314 11.7314 11.9209 11.9209 12.8314 12.8314 13.0479 13.0479 13.2255 13.2255 18.8342 18.8342 19.0420 19.0420 19.3946 19.3946 19.9974 19.9974 k = 0.0822-0.3314-0.1932 ( 1688 PWs) bands (ev): -7.9705 -7.9705 -6.9339 -6.9339 -6.8042 -6.8042 -3.8131 -3.8131 -3.5978 -3.5978 1.9146 1.9146 2.2277 2.2277 8.3332 8.3332 8.6962 8.6962 9.7394 9.7394 9.9227 9.9227 10.2437 10.2437 10.3412 10.3412 11.1197 11.1197 11.5329 11.5329 11.6839 11.6839 11.8812 11.8812 12.7257 12.7257 13.0081 13.0081 13.1856 13.1856 18.8427 18.8427 19.1006 19.1006 19.4282 19.4282 19.9707 19.9707 k = 0.0890-0.3590-0.2093 ( 1688 PWs) bands (ev): -7.9416 -7.9416 -6.9100 -6.9100 -6.7710 -6.7710 -3.7949 -3.7949 -3.5619 -3.5619 1.9256 1.9256 2.2640 2.2640 8.3235 8.3235 8.7133 8.7133 9.6046 9.6046 9.8004 9.8004 10.1865 10.1865 10.2873 10.2873 10.9871 10.9871 11.4304 11.4304 11.6337 11.6337 11.8385 11.8385 12.6133 12.6133 12.9660 12.9660 13.1430 13.1430 18.8484 18.8484 19.1629 19.1629 19.4598 19.4598 19.9436 19.9436 k = 0.0959-0.3866-0.2254 ( 1690 PWs) bands (ev): -7.9104 -7.9104 -6.8838 -6.8838 -6.7354 -6.7354 -3.7745 -3.7745 -3.5238 -3.5238 1.9385 1.9385 2.3021 2.3021 8.3136 8.3136 8.7293 8.7293 9.4633 9.4633 9.6715 9.6715 10.1266 10.1266 10.2304 10.2304 10.8483 10.8483 11.3218 11.3218 11.5809 11.5809 11.7929 11.7929 12.4946 12.4946 12.9214 12.9214 13.0977 13.0977 18.8510 18.8510 19.2287 19.2287 19.4877 19.4877 19.9176 19.9176 k = 0.1027-0.4142-0.2415 ( 1688 PWs) bands (ev): -7.8769 -7.8769 -6.8553 -6.8553 -6.6976 -6.6976 -3.7519 -3.7519 -3.4835 -3.4835 1.9533 1.9533 2.3419 2.3419 8.3031 8.3031 8.7435 8.7435 9.3164 9.3164 9.5370 9.5370 10.0643 10.0643 10.1709 10.1709 10.7042 10.7042 11.2077 11.2077 11.5257 11.5257 11.7446 11.7446 12.3703 12.3703 12.8746 12.8746 13.0501 13.0501 18.8505 18.8505 19.2977 19.2977 19.5097 19.5097 19.8947 19.8947 k = 0.1096-0.4418-0.2576 ( 1685 PWs) bands (ev): -7.8411 -7.8411 -6.8246 -6.8246 -6.6574 -6.6574 -3.7271 -3.7271 -3.4412 -3.4412 1.9699 1.9699 2.3833 2.3833 8.2915 8.2915 8.7543 8.7543 9.1652 9.1652 9.3982 9.3982 9.9998 9.9998 10.1090 10.1090 10.5554 10.5554 11.0888 11.0888 11.4685 11.4685 11.6937 11.6937 12.2408 12.2408 12.8254 12.8254 13.0001 13.0001 18.8465 18.8465 19.3695 19.3695 19.5233 19.5233 19.8771 19.8771 k = 0.1164-0.4694-0.2737 ( 1683 PWs) bands (ev): -7.8030 -7.8030 -6.7917 -6.7917 -6.6150 -6.6150 -3.7002 -3.7002 -3.3967 -3.3967 1.9884 1.9884 2.4264 2.4264 8.2781 8.2781 8.7586 8.7586 9.0120 9.0120 9.2571 9.2571 9.9334 9.9334 10.0449 10.0449 10.4026 10.4026 10.9658 10.9658 11.4093 11.4093 11.6404 11.6404 12.1064 12.1064 12.7739 12.7739 12.9480 12.9480 18.8393 18.8393 19.4438 19.4438 19.5264 19.5264 19.8670 19.8670 k = 0.1233-0.4970-0.2898 ( 1683 PWs) bands (ev): -7.7626 -7.7626 -6.7565 -6.7565 -6.5703 -6.5703 -3.6711 -3.6711 -3.3502 -3.3502 2.0087 2.0087 2.4710 2.4710 8.2614 8.2614 8.7438 8.7438 8.8659 8.8659 9.1190 9.1190 9.8653 9.8653 9.9789 9.9789 10.2466 10.2466 10.8394 10.8394 11.3485 11.3485 11.5849 11.5849 11.9676 11.9676 12.7201 12.7201 12.8941 12.8941 18.8287 18.8287 19.5161 19.5161 19.5219 19.5219 19.8654 19.8654 k = 0.1301-0.5247-0.3059 ( 1686 PWs) bands (ev): -7.7200 -7.7200 -6.7191 -6.7191 -6.5233 -6.5233 -3.6398 -3.6398 -3.3015 -3.3015 2.0308 2.0308 2.5172 2.5172 8.2385 8.2385 8.6584 8.6584 8.7664 8.7664 8.9985 8.9985 9.7958 9.7958 9.9112 9.9112 10.0881 10.0881 10.7105 10.7105 11.2861 11.2861 11.5274 11.5274 11.8246 11.8246 12.6642 12.6642 12.8383 12.8383 18.8148 18.8148 19.4980 19.4980 19.5988 19.5988 19.8713 19.8713 k = 0.1370-0.5523-0.3220 ( 1685 PWs) bands (ev): -7.6750 -7.6750 -6.6794 -6.6794 -6.4741 -6.4741 -3.6064 -3.6064 -3.2508 -3.2508 2.0546 2.0546 2.5649 2.5649 8.2025 8.2025 8.5196 8.5196 8.6745 8.6745 8.9242 8.9242 9.7251 9.7251 9.8420 9.8420 9.9283 9.9283 10.5799 10.5799 11.2226 11.2226 11.4680 11.4680 11.6780 11.6780 12.6061 12.6061 12.7811 12.7811 18.7979 18.7979 19.4698 19.4698 19.6786 19.6786 19.8824 19.8824 k = 0.1438-0.5799-0.3381 ( 1685 PWs) bands (ev): -7.6278 -7.6278 -6.6374 -6.6374 -6.4226 -6.4226 -3.5709 -3.5709 -3.1980 -3.1980 2.0802 2.0802 2.6140 2.6140 8.1368 8.1368 8.3936 8.3936 8.5413 8.5413 8.8944 8.8944 9.6534 9.6534 9.7681 9.7681 9.7719 9.7719 10.4488 10.4488 11.1580 11.1580 11.4071 11.4071 11.5281 11.5281 12.5461 12.5461 12.7224 12.7224 18.7782 18.7782 19.4354 19.4354 19.7597 19.7597 19.8964 19.8964 k = 0.1507-0.6075-0.3542 ( 1684 PWs) bands (ev): -7.5782 -7.5782 -6.5932 -6.5932 -6.3688 -6.3688 -3.5331 -3.5331 -3.1431 -3.1431 2.1074 2.1074 2.6645 2.6645 8.0225 8.0225 8.3051 8.3051 8.3879 8.3879 8.8810 8.8810 9.5810 9.5810 9.6097 9.6097 9.7003 9.7003 10.3184 10.3184 11.0925 11.0925 11.3446 11.3446 11.3751 11.3751 12.4840 12.4840 12.6626 12.6626 18.7557 18.7557 19.3968 19.3968 19.8416 19.8416 19.9111 19.9111 k = 0.1575-0.6351-0.3703 ( 1684 PWs) bands (ev): -7.5264 -7.5264 -6.5468 -6.5468 -6.3128 -6.3128 -3.4933 -3.4933 -3.0862 -3.0862 2.1363 2.1363 2.7162 2.7162 7.8693 7.8693 8.2107 8.2107 8.2595 8.2595 8.8699 8.8699 9.4542 9.4542 9.5081 9.5081 9.6281 9.6281 10.1904 10.1904 11.0263 11.0263 11.2193 11.2193 11.2811 11.2811 12.4201 12.4201 12.6017 12.6017 18.7307 18.7307 19.3553 19.3553 19.9216 19.9216 19.9274 19.9274 k = 0.1644-0.6627-0.3864 ( 1680 PWs) bands (ev): -7.4724 -7.4724 -6.4981 -6.4981 -6.2546 -6.2546 -3.4513 -3.4513 -3.0272 -3.0272 2.1669 2.1669 2.7693 2.7693 7.6975 7.6975 8.0456 8.0456 8.2036 8.2036 8.8550 8.8550 9.3046 9.3046 9.4347 9.4347 9.5553 9.5553 10.0668 10.0668 10.9596 10.9596 11.0612 11.0612 11.2165 11.2165 12.3544 12.3544 12.5400 12.5400 18.7035 18.7035 19.3121 19.3121 19.9369 19.9369 20.0071 20.0071 k = 0.1712-0.6903-0.4025 ( 1682 PWs) bands (ev): -7.4161 -7.4161 -6.4473 -6.4473 -6.1941 -6.1941 -3.4071 -3.4071 -2.9662 -2.9662 2.1990 2.1990 2.8233 2.8233 7.5166 7.5166 7.8716 7.8716 8.1472 8.1472 8.8326 8.8326 9.1638 9.1638 9.3611 9.3611 9.4820 9.4820 9.9499 9.9499 10.8924 10.8924 10.9012 10.9012 11.1509 11.1509 12.2870 12.2870 12.4776 12.4776 18.6743 18.6743 19.2677 19.2677 19.9469 19.9469 20.0898 20.0898 k = 0.1781-0.7180-0.4186 ( 1682 PWs) bands (ev): -7.3575 -7.3575 -6.3941 -6.3941 -6.1314 -6.1314 -3.3609 -3.3609 -2.9031 -2.9031 2.2325 2.2325 2.8783 2.8783 7.3310 7.3310 7.6947 7.6947 8.0790 8.0790 8.7990 8.7990 9.0358 9.0358 9.2874 9.2874 9.4085 9.4085 9.8425 9.8425 10.7393 10.7393 10.8253 10.8253 11.0846 11.0846 12.2180 12.2180 12.4147 12.4147 18.6433 18.6433 19.2228 19.2228 19.9543 19.9543 20.1721 20.1721 k = 0.1849-0.7456-0.4347 ( 1682 PWs) bands (ev): -7.2966 -7.2966 -6.3388 -6.3388 -6.0665 -6.0665 -3.3125 -3.3125 -2.8381 -2.8381 2.2674 2.2674 2.9340 2.9340 7.1422 7.1422 7.5157 7.5157 7.9939 7.9939 8.7494 8.7494 8.9264 8.9264 9.2138 9.2138 9.3348 9.3348 9.7469 9.7469 10.5765 10.5765 10.7580 10.7580 11.0178 11.0178 12.1475 12.1475 12.3513 12.3513 18.6109 18.6109 19.1777 19.1777 19.9589 19.9589 20.2538 20.2538 k = 0.1918-0.7732-0.4508 ( 1681 PWs) bands (ev): -7.2336 -7.2336 -6.2812 -6.2812 -5.9995 -5.9995 -3.2620 -3.2620 -2.7711 -2.7711 2.3036 2.3036 2.9905 2.9905 6.9512 6.9512 7.3351 7.3351 7.8894 7.8894 8.6781 8.6781 8.8409 8.8409 9.1405 9.1405 9.2611 9.2611 9.6655 9.6655 10.4131 10.4131 10.6908 10.6908 10.9505 10.9505 12.0756 12.0756 12.2878 12.2878 18.5773 18.5773 19.1328 19.1328 19.9608 19.9608 20.3346 20.3346 k = 0.1986-0.8008-0.4669 ( 1685 PWs) bands (ev): -7.1682 -7.1682 -6.2214 -6.2214 -5.9302 -5.9302 -3.2094 -3.2094 -2.7021 -2.7021 2.3410 2.3410 3.0474 3.0474 6.7587 6.7587 7.1536 7.1536 7.7655 7.7655 8.5844 8.5844 8.7785 8.7785 9.0672 9.0672 9.1874 9.1874 9.5981 9.5981 10.2496 10.2496 10.6239 10.6239 10.8830 10.8830 12.0025 12.0025 12.2241 12.2241 18.5426 18.5426 19.0882 19.0882 19.9600 19.9600 20.4143 20.4143 k = 0.2055-0.8284-0.4830 ( 1687 PWs) bands (ev): -7.1007 -7.1007 -6.1594 -6.1594 -5.8587 -5.8587 -3.1548 -3.1548 -2.6311 -2.6311 2.3794 2.3794 3.1045 3.1045 6.5652 6.5652 6.9715 6.9715 7.6247 7.6247 8.4742 8.4742 8.7320 8.7320 8.9947 8.9947 9.1142 9.1142 9.5428 9.5428 10.0881 10.0881 10.5571 10.5571 10.8155 10.8155 11.9282 11.9282 12.1603 12.1603 18.5074 18.5074 19.0442 19.0442 19.9566 19.9566 20.4923 20.4923 k = 0.2123-0.8560-0.4991 ( 1689 PWs) bands (ev): -7.0309 -7.0309 -6.0952 -6.0952 -5.7851 -5.7851 -3.0979 -3.0979 -2.5582 -2.5582 2.4187 2.4187 3.1615 3.1615 6.3712 6.3712 6.7894 6.7894 7.4704 7.4704 8.3517 8.3517 8.6956 8.6956 8.9228 8.9228 9.0414 9.0414 9.4952 9.4952 9.9306 9.9306 10.4909 10.4909 10.7477 10.7477 11.8528 11.8528 12.0968 12.0968 18.4719 18.4719 19.0008 19.0008 19.9511 19.9511 20.5689 20.5689 k = 0.2192-0.8836-0.5152 ( 1687 PWs) bands (ev): -6.9589 -6.9589 -6.0288 -6.0288 -5.7093 -5.7093 -3.0391 -3.0391 -2.4834 -2.4834 2.4587 2.4587 3.2181 3.2181 6.1771 6.1771 6.6077 6.6077 7.3058 7.3058 8.2194 8.2194 8.6657 8.6657 8.8516 8.8516 8.9692 8.9692 9.4477 9.4477 9.7836 9.7836 10.4253 10.4253 10.6803 10.6803 11.7766 11.7766 12.0336 12.0336 18.4362 18.4362 18.9581 18.9581 19.9437 19.9437 20.6307 20.6307 k = 0.2260-0.9113-0.5313 ( 1686 PWs) bands (ev): -6.8847 -6.8847 -5.9602 -5.9602 -5.6313 -5.6313 -2.9782 -2.9782 -2.4067 -2.4067 2.4992 2.4992 3.2737 3.2737 5.9834 5.9834 6.4269 6.4269 7.1338 7.1338 8.0793 8.0793 8.6393 8.6393 8.7812 8.7812 8.8976 8.8976 9.3860 9.3860 9.6594 9.6594 10.3605 10.3605 10.6133 10.6133 11.6996 11.6996 11.9707 11.9707 18.4007 18.4007 18.9165 18.9165 19.9345 19.9345 20.6175 20.6175 k = 0.2329-0.9389-0.5474 ( 1691 PWs) bands (ev): -6.8083 -6.8083 -5.8894 -5.8894 -5.5513 -5.5513 -2.9152 -2.9152 -2.3281 -2.3281 2.5398 2.5398 3.3278 3.3278 5.7905 5.7905 6.2476 6.2476 6.9565 6.9565 7.9331 7.9331 8.6131 8.6131 8.7117 8.7117 8.8268 8.8268 9.2932 9.2932 9.5745 9.5745 10.2964 10.2964 10.5466 10.5466 11.6220 11.6220 11.9082 11.9082 18.3654 18.3654 18.8756 18.8756 19.9239 19.9239 20.6013 20.6013 k = 0.2397-0.9665-0.5635 ( 1695 PWs) bands (ev): -6.7297 -6.7297 -5.8165 -5.8165 -5.4691 -5.4691 -2.8503 -2.8503 -2.2477 -2.2477 2.5802 2.5802 3.3796 3.3796 5.5990 5.5990 6.0706 6.0706 6.7755 6.7755 7.7826 7.7826 8.5829 8.5829 8.6432 8.6432 8.7568 8.7568 9.1733 9.1733 9.5266 9.5266 10.2332 10.2332 10.4804 10.4804 11.5441 11.5441 11.8462 11.8462 18.3309 18.3309 18.8357 18.8357 19.9121 19.9121 20.5827 20.5827 k = 0.2466-0.9941-0.5796 ( 1695 PWs) bands (ev): -6.6489 -6.6489 -5.7414 -5.7414 -5.3847 -5.3847 -2.7833 -2.7833 -2.1655 -2.1655 2.6198 2.6198 3.4280 3.4280 5.4095 5.4095 5.8967 5.8967 6.5921 6.5921 7.6290 7.6290 8.5420 8.5420 8.5757 8.5757 8.6877 8.6877 9.0478 9.0478 9.4987 9.4987 10.1709 10.1709 10.4149 10.4149 11.4660 11.4660 11.7852 11.7852 18.2973 18.2973 18.7969 18.7969 19.8994 19.8994 20.5622 20.5622 k = 0.2534-1.0217-0.5958 ( 1694 PWs) bands (ev): -6.5660 -6.5660 -5.6642 -5.6642 -5.2983 -5.2983 -2.7143 -2.7143 -2.0815 -2.0815 2.6581 2.6581 3.4719 3.4719 5.2227 5.2227 5.7268 5.7268 6.4073 6.4073 7.4735 7.4735 8.4806 8.4806 8.5094 8.5094 8.6197 8.6197 8.9357 8.9357 9.4797 9.4797 10.1098 10.1098 10.3502 10.3502 11.3878 11.3878 11.7250 11.7250 18.2647 18.2647 18.7592 18.7592 19.8859 19.8859 20.5402 20.5402 k = 0.2603-1.0493-0.6119 ( 1692 PWs) bands (ev): -6.4809 -6.4809 -5.5848 -5.5848 -5.2098 -5.2098 -2.6434 -2.6434 -1.9957 -1.9957 2.6942 2.6942 3.5092 3.5092 5.0397 5.0397 5.5625 5.5625 6.2222 6.2222 7.3171 7.3171 8.3896 8.3896 8.4444 8.4444 8.5528 8.5528 8.8500 8.8500 9.4646 9.4646 10.0497 10.0497 10.2862 10.2862 11.3099 11.3099 11.6656 11.6656 18.2335 18.2335 18.7228 18.7228 19.8720 19.8720 20.5170 20.5170 k = 0.2671-1.0769-0.6280 ( 1690 PWs) bands (ev): -6.3936 -6.3936 -5.5033 -5.5033 -5.1193 -5.1193 -2.5705 -2.5705 -1.9084 -1.9084 2.7271 2.7271 3.5375 3.5375 4.8618 4.8618 5.4054 5.4054 6.0375 6.0375 7.1606 7.1606 8.2683 8.2683 8.3806 8.3806 8.4871 8.4871 8.7926 8.7926 9.4512 9.4512 9.9908 9.9908 10.2231 10.2231 11.2323 11.2323 11.6072 11.6072 18.2037 18.2037 18.6875 18.6875 19.8578 19.8578 20.4930 20.4930 k = 0.2740-1.1045-0.6441 ( 1693 PWs) bands (ev): -6.3042 -6.3042 -5.4198 -5.4198 -5.0267 -5.0267 -2.4957 -2.4957 -1.8193 -1.8193 2.7553 2.7553 3.5537 3.5537 4.6907 4.6907 5.2576 5.2576 5.8543 5.8543 7.0049 7.0049 8.1251 8.1251 8.3182 8.3182 8.4226 8.4226 8.7554 8.7554 9.4380 9.4380 9.9332 9.9332 10.1609 10.1609 11.1552 11.1552 11.5498 11.5498 18.1756 18.1756 18.6534 18.6534 19.8434 19.8434 20.4685 20.4685 k = 0.2808-1.1322-0.6602 ( 1696 PWs) bands (ev): -6.2127 -6.2127 -5.3341 -5.3341 -4.9321 -4.9321 -2.4191 -2.4191 -1.7288 -1.7288 2.7769 2.7769 3.5539 3.5539 4.5285 4.5285 5.1219 5.1219 5.6734 5.6734 6.8510 6.8510 7.9689 7.9689 8.2572 8.2572 8.3595 8.3595 8.7298 8.7298 9.4245 9.4245 9.8768 9.8768 10.0999 10.0999 11.0790 11.0790 11.4935 11.4935 18.1492 18.1492 18.6206 18.6206 19.8291 19.8291 20.4437 20.4437 k = 0.2877-1.1598-0.6763 ( 1692 PWs) bands (ev): -6.1191 -6.1191 -5.2464 -5.2464 -4.8355 -4.8355 -2.3406 -2.3406 -1.6367 -1.6367 2.7894 2.7894 3.5336 3.5336 4.3775 4.3775 5.0010 5.0010 5.4965 5.4965 6.7001 6.7001 7.8052 7.8052 8.1977 8.1977 8.2977 8.2977 8.7099 8.7099 9.4102 9.4102 9.8218 9.8218 10.0401 10.0401 11.0039 11.0039 11.4384 11.4384 18.1248 18.1248 18.5892 18.5892 19.8150 19.8150 20.4190 20.4190 k = 0.2945-1.1874-0.6924 ( 1692 PWs) bands (ev): -6.0234 -6.0234 -5.1566 -5.1566 -4.7370 -4.7370 -2.2602 -2.2602 -1.5433 -1.5433 2.7896 2.7896 3.4895 3.4895 4.2397 4.2397 4.8970 4.8970 5.3253 5.3253 6.5533 6.5533 7.6373 7.6373 8.1397 8.1397 8.2374 8.2374 8.6925 8.6925 9.3950 9.3950 9.7683 9.7683 9.9814 9.9814 10.9301 10.9301 11.3845 11.3845 18.1024 18.1024 18.5590 18.5590 19.8014 19.8014 20.3943 20.3943 k = 0.3014-1.2150-0.7085 ( 1688 PWs) bands (ev): -5.9257 -5.9257 -5.0648 -5.0648 -4.6366 -4.6366 -2.1781 -2.1781 -1.4486 -1.4486 2.7737 2.7737 3.4206 3.4206 4.1159 4.1159 4.8098 4.8098 5.1630 5.1630 6.4124 6.4124 7.4669 7.4669 8.0833 8.0833 8.1785 8.1785 8.6754 8.6754 9.3786 9.3786 9.7163 9.7163 9.9241 9.9241 10.8577 10.8577 11.3319 11.3319 18.0821 18.0821 18.5303 18.5303 19.7883 19.7883 20.3700 20.3700 k = 0.3082-1.2426-0.7246 ( 1694 PWs) bands (ev): -5.8259 -5.8259 -4.9711 -4.9711 -4.5343 -4.5343 -2.0944 -2.0944 -1.3527 -1.3527 2.7377 2.7377 3.3296 3.3296 4.0045 4.0045 4.7358 4.7358 5.0142 5.0142 6.2794 6.2794 7.2951 7.2951 8.0285 8.0285 8.1212 8.1212 8.6570 8.6570 9.3611 9.3611 9.6659 9.6659 9.8680 9.8680 10.7870 10.7870 11.2807 11.2807 18.0640 18.0640 18.5029 18.5029 19.7758 19.7758 20.3460 20.3460 k = 0.3151-1.2702-0.7407 ( 1694 PWs) bands (ev): -5.7241 -5.7241 -4.8753 -4.8753 -4.4301 -4.4301 -2.0090 -2.0090 -1.2558 -1.2558 2.6787 2.6787 3.2217 3.2217 3.9023 3.9023 4.6670 4.6670 4.8863 4.8863 6.1569 6.1569 7.1227 7.1227 7.9753 7.9753 8.0654 8.0654 8.6365 8.6365 9.3429 9.3429 9.6170 9.6170 9.8132 9.8132 10.7182 10.7182 11.2308 11.2308 18.0483 18.0483 18.4769 18.4769 19.7643 19.7643 20.3225 20.3225 k = 0.3219-1.2978-0.7568 ( 1692 PWs) bands (ev): -5.6203 -5.6203 -4.7775 -4.7775 -4.3241 -4.3241 -1.9220 -1.9220 -1.1581 -1.1581 2.5958 2.5958 3.1019 3.1019 3.8039 3.8039 4.5948 4.5948 4.7862 4.7862 6.0481 6.0481 6.9502 6.9502 7.9239 7.9239 8.0113 8.0113 8.6130 8.6130 9.3238 9.3238 9.5698 9.5698 9.7600 9.7600 10.6516 10.6516 11.1824 11.1824 18.0349 18.0349 18.4524 18.4524 19.7538 19.7538 20.2995 20.2995 k = 0.3288-1.3255-0.7729 ( 1692 PWs) bands (ev): -5.5146 -5.5146 -4.6779 -4.6779 -4.2164 -4.2164 -1.8335 -1.8335 -1.0599 -1.0599 2.4909 2.4909 2.9738 2.9738 3.7028 3.7028 4.5205 4.5205 4.7105 4.7105 5.9565 5.9565 6.7781 6.7781 7.8742 7.8742 7.9589 7.9589 8.5857 8.5857 9.3041 9.3041 9.5241 9.5241 9.7083 9.7083 10.5872 10.5872 11.1355 11.1355 18.0239 18.0239 18.4293 18.4293 19.7444 19.7444 20.2771 20.2771 k = 0.3356-1.3531-0.7890 ( 1697 PWs) bands (ev): -5.4069 -5.4069 -4.5764 -4.5764 -4.1070 -4.1070 -1.7438 -1.7438 -0.9613 -0.9613 2.3679 2.3679 2.8396 2.8396 3.5929 3.5929 4.4552 4.4552 4.6457 4.6457 5.8853 5.8853 6.6068 6.6068 7.8262 7.8262 7.9081 7.9081 8.5540 8.5540 9.2841 9.2841 9.4802 9.4802 9.6581 9.6581 10.5251 10.5251 11.0902 11.0902 18.0152 18.0152 18.4077 18.4077 19.7361 19.7361 20.2553 20.2553 k = 0.3425-1.3807-0.8051 ( 1698 PWs) bands (ev): -5.2973 -5.2973 -4.4731 -4.4731 -3.9960 -3.9960 -1.6528 -1.6528 -0.8629 -0.8629 2.2318 2.2318 2.7006 2.7006 3.4703 3.4703 4.4041 4.4041 4.5824 4.5824 5.8362 5.8362 6.4370 6.4370 7.7800 7.7800 7.8592 7.8592 8.5178 8.5178 9.2639 9.2639 9.4380 9.4380 9.6096 9.6096 10.4656 10.4656 11.0464 11.0464 18.0089 18.0089 18.3875 18.3875 19.7292 19.7292 20.2341 20.2341 k = 0.3493-1.4083-0.8212 ( 1698 PWs) bands (ev): -5.1859 -5.1859 -4.3680 -4.3680 -3.8835 -3.8835 -1.5607 -1.5607 -0.7650 -0.7650 2.0868 2.0868 2.5584 2.5584 3.3348 3.3348 4.3587 4.3587 4.5240 4.5240 5.8093 5.8093 6.2694 6.2694 7.7357 7.7357 7.8121 7.8121 8.4765 8.4765 9.2435 9.2435 9.3976 9.3976 9.5626 9.5626 10.4088 10.4088 11.0043 11.0043 18.0049 18.0049 18.3688 18.3688 19.7236 19.7236 20.2136 20.2136 k = 0.3562-1.4359-0.8373 ( 1696 PWs) bands (ev): -5.0726 -5.0726 -4.2612 -4.2612 -3.7695 -3.7695 -1.4679 -1.4679 -0.6685 -0.6685 1.9365 1.9365 2.4144 2.4144 3.1887 3.1887 4.2967 4.2967 4.4880 4.4880 5.8012 5.8012 6.1060 6.1060 7.6933 7.6933 7.7668 7.7668 8.4301 8.4301 9.2230 9.2230 9.3590 9.3590 9.5173 9.5173 10.3547 10.3547 10.9638 10.9638 18.0032 18.0032 18.3516 18.3516 19.7196 19.7196 20.1937 20.1937 k = 0.3630-1.4635-0.8534 ( 1694 PWs) bands (ev): -4.9576 -4.9576 -4.1527 -4.1527 -3.6542 -3.6542 -1.3746 -1.3746 -0.5741 -0.5741 1.7838 1.7838 2.2704 2.2704 3.0347 3.0347 4.2059 4.2059 4.4827 4.4827 5.8012 5.8012 5.9555 5.9555 7.6528 7.6528 7.7233 7.7233 8.3788 8.3788 9.2022 9.2022 9.3222 9.3222 9.4738 9.4738 10.3035 10.3035 10.9250 10.9250 18.0038 18.0038 18.3358 18.3358 19.7170 19.7170 20.1743 20.1743 k = 0.3699-1.4911-0.8695 ( 1693 PWs) bands (ev): -4.8409 -4.8409 -4.0427 -4.0427 -3.5377 -3.5377 -1.2810 -1.2810 -0.4830 -0.4830 1.6311 1.6311 2.1278 2.1278 2.8758 2.8758 4.0943 4.0943 4.4976 4.4976 5.7423 5.7423 5.8822 5.8822 7.6141 7.6141 7.6818 7.6818 8.3228 8.3228 9.1809 9.1809 9.2872 9.2872 9.4319 9.4319 10.2552 10.2552 10.8879 10.8879 18.0064 18.0064 18.3215 18.3215 19.7160 19.7160 20.1556 20.1556 k = 0.3767-1.5188-0.8856 ( 1691 PWs) bands (ev): -4.7226 -4.7226 -3.9312 -3.9312 -3.4202 -3.4202 -1.1879 -1.1879 -0.3968 -0.3968 1.4802 1.4802 1.9891 1.9891 2.7141 2.7141 3.9702 3.9702 4.5217 4.5217 5.6057 5.6057 5.9039 5.9039 7.5774 7.5774 7.6421 7.6421 8.2625 8.2625 9.1590 9.1590 9.2541 9.2541 9.3918 9.3918 10.2099 10.2099 10.8526 10.8526 18.0109 18.0109 18.3085 18.3085 19.7166 19.7166 20.1374 20.1374 k = 0.3836-1.5464-0.9017 ( 1689 PWs) bands (ev): -4.6027 -4.6027 -3.8183 -3.8183 -3.3019 -3.3019 -1.0959 -1.0959 -0.3177 -0.3177 1.3331 1.3331 1.8565 1.8565 2.5514 2.5514 3.8381 3.8381 4.5468 4.5468 5.4658 5.4658 5.9470 5.9470 7.5427 7.5427 7.6044 7.6044 8.1982 8.1982 9.1361 9.1361 9.2229 9.2229 9.3535 9.3535 10.1678 10.1678 10.8190 10.8190 18.0174 18.0174 18.2969 18.2969 19.7188 19.7188 20.1196 20.1196 k = 0.3904-1.5740-0.9178 ( 1691 PWs) bands (ev): -4.4814 -4.4814 -3.7042 -3.7042 -3.1831 -3.1831 -1.0058 -1.0058 -0.2486 -0.2486 1.1915 1.1915 1.7328 1.7328 2.3893 2.3893 3.7008 3.7008 4.5639 4.5639 5.3391 5.3391 5.9987 5.9987 7.5099 7.5099 7.5686 7.5686 8.1306 8.1306 9.1120 9.1120 9.1936 9.1936 9.3171 9.3171 10.1289 10.1289 10.7873 10.7873 18.0255 18.0255 18.2867 18.2867 19.7224 19.7224 20.1021 20.1021 k = 0.3973-1.6016-0.9339 ( 1692 PWs) bands (ev): -4.3587 -4.3587 -3.5891 -3.5891 -3.0640 -3.0640 -0.9190 -0.9190 -0.1929 -0.1929 1.0572 1.0572 1.6218 1.6218 2.2292 2.2292 3.5601 3.5601 4.5609 4.5609 5.2379 5.2379 6.0555 6.0555 7.4791 7.4791 7.5348 7.5348 8.0601 8.0601 9.0864 9.0864 9.1663 9.1663 9.2824 9.2824 10.0932 10.0932 10.7573 10.7573 18.0350 18.0350 18.2777 18.2777 19.7275 19.7275 20.0847 20.0847 k = 0.4041-1.6292-0.9500 ( 1694 PWs) bands (ev): -4.2348 -4.2348 -3.4731 -3.4731 -2.9450 -2.9450 -0.8376 -0.8376 -0.1548 -0.1548 0.9321 0.9321 1.5275 1.5275 2.0732 2.0732 3.4173 3.4173 4.5242 4.5242 5.1748 5.1748 6.1153 6.1153 7.4503 7.4503 7.5030 7.5030 7.9875 7.9875 9.0592 9.0592 9.1408 9.1408 9.2497 9.2497 10.0608 10.0608 10.7292 10.7292 18.0459 18.0459 18.2699 18.2699 19.7339 19.7339 20.0671 20.0671 k = 0.4110-1.6568-0.9661 ( 1698 PWs) bands (ev): -4.1098 -4.1098 -3.3566 -3.3566 -2.8267 -2.8267 -0.7642 -0.7642 -0.1375 -0.1375 0.8173 0.8173 1.4534 1.4534 1.9242 1.9242 3.2733 3.2733 4.4483 4.4483 5.1549 5.1549 6.1768 6.1768 7.4235 7.4235 7.4732 7.4732 7.9133 7.9133 9.0305 9.0305 9.1174 9.1174 9.2188 9.2188 10.0317 10.0317 10.7030 10.7030 18.0578 18.0578 18.2632 18.2632 19.7414 19.7414 20.0490 20.0490 k = 0.4178-1.6844-0.9822 ( 1698 PWs) bands (ev): -3.9840 -3.9840 -3.2399 -3.2399 -2.7099 -2.7099 -0.7027 -0.7027 -0.1422 -0.1422 0.7140 0.7140 1.3999 1.3999 1.7877 1.7877 3.1289 3.1289 4.3406 4.3406 5.1698 5.1698 6.2387 6.2387 7.3987 7.3987 7.4455 7.4455 7.8384 7.8384 9.0002 9.0002 9.0959 9.0959 9.1898 9.1898 10.0057 10.0057 10.6786 10.6786 18.0706 18.0706 18.2577 18.2577 19.7499 19.7499 20.0300 20.0300 k = 0.4247-1.7120-0.9983 ( 1696 PWs) bands (ev): -3.8576 -3.8576 -3.1234 -3.1234 -2.5952 -2.5952 -0.6584 -0.6584 -0.1667 -0.1667 0.6234 0.6234 1.3581 1.3581 1.6763 1.6763 2.9848 2.9848 4.2131 4.2131 5.2070 5.2070 6.2999 6.2999 7.3760 7.3760 7.4198 7.4198 7.7635 7.7635 8.9686 8.9686 9.0764 9.0764 9.1628 9.1628 9.9829 9.9829 10.6561 10.6561 18.0839 18.0839 18.2531 18.2531 19.7590 19.7590 20.0097 20.0097 k = 0.4315-1.7397-1.0144 ( 1695 PWs) bands (ev): -3.7309 -3.7309 -3.0079 -3.0079 -2.4839 -2.4839 -0.6367 -0.6367 -0.2062 -0.2062 0.5473 0.5473 1.3058 1.3058 1.6130 1.6130 2.8416 2.8416 4.0748 4.0748 5.2570 5.2570 6.3592 6.3592 7.3554 7.3554 7.3962 7.3962 7.6893 7.6893 8.9361 8.9361 9.0589 9.0589 9.1377 9.1377 9.9631 9.9631 10.6355 10.6355 18.0975 18.0975 18.2494 18.2494 19.7683 19.7683 19.9880 19.9880 k = 0.4384-1.7673-1.0305 ( 1701 PWs) bands (ev): -3.6042 -3.6042 -2.8942 -2.8942 -2.3776 -2.3776 -0.6406 -0.6406 -0.2566 -0.2566 0.4875 0.4875 1.2293 1.2293 1.6112 1.6112 2.6998 2.6998 3.9308 3.9308 5.3137 5.3137 6.4157 6.4157 7.3367 7.3367 7.3748 7.3748 7.6171 7.6171 8.9030 8.9030 9.0434 9.0434 9.1146 9.1146 9.9459 9.9459 10.6168 10.6168 18.1110 18.1110 18.2465 18.2465 19.7774 19.7774 19.9656 19.9656 k = 0.4452-1.7949-1.0466 ( 1703 PWs) bands (ev): -3.4782 -3.4782 -2.7836 -2.7836 -2.2780 -2.2780 -0.6672 -0.6672 -0.3169 -0.3169 0.4428 0.4428 1.1459 1.1459 1.6545 1.6545 2.5605 2.5605 3.7843 3.7843 5.3735 5.3735 6.4682 6.4682 7.3201 7.3201 7.3554 7.3554 7.5478 7.5478 8.8701 8.8701 9.0299 9.0299 9.0935 9.0935 9.9314 9.9314 10.6001 10.6001 18.1243 18.1243 18.2444 18.2444 19.7857 19.7857 19.9438 19.9438 k = 0.4521-1.8225-1.0627 ( 1709 PWs) bands (ev): -3.3534 -3.3534 -2.6781 -2.6781 -2.1876 -2.1876 -0.7078 -0.7078 -0.3877 -0.3877 0.4056 0.4056 1.0778 1.0778 1.7235 1.7235 2.4246 2.4246 3.6370 3.6370 5.4338 5.4338 6.5157 6.5157 7.3055 7.3055 7.3382 7.3382 7.4828 7.4828 8.8380 8.8380 9.0184 9.0184 9.0743 9.0743 9.9192 9.9192 10.5853 10.5853 18.1369 18.1369 18.2428 18.2428 19.7923 19.7923 19.9243 19.9243 k = 0.4589-1.8501-1.0788 ( 1705 PWs) bands (ev): -3.2309 -3.2309 -2.5804 -2.5804 -2.1086 -2.1086 -0.7515 -0.7515 -0.4675 -0.4675 0.3640 0.3640 1.0409 1.0409 1.8052 1.8052 2.2959 2.2959 3.4902 3.4902 5.4926 5.4926 6.5570 6.5570 7.2930 7.2930 7.3232 7.3232 7.4235 7.4235 8.8076 8.8076 9.0090 9.0090 9.0573 9.0573 9.9091 9.9091 10.5725 10.5725 18.1486 18.1486 18.2417 18.2417 19.7967 19.7967 19.9085 19.9085 k = 0.4658-1.8777-1.0949 ( 1705 PWs) bands (ev): -3.1120 -3.1120 -2.4949 -2.4949 -2.0429 -2.0429 -0.7890 -0.7890 -0.5523 -0.5523 0.3099 0.3099 1.0418 1.0418 1.8833 1.8833 2.1853 2.1853 3.3452 3.3452 5.5477 5.5477 6.5912 6.5912 7.2824 7.2824 7.3104 7.3104 7.3712 7.3712 8.7798 8.7798 9.0016 9.0016 9.0422 9.0422 9.9009 9.9009 10.5616 10.5616 18.1591 18.1591 18.2409 18.2409 19.7984 19.7984 19.8973 19.8973 k = 0.4726-1.9053-1.1110 ( 1702 PWs) bands (ev): -2.9989 -2.9989 -2.4272 -2.4272 -1.9902 -1.9902 -0.8139 -0.8139 -0.6363 -0.6363 0.2450 0.2450 1.0769 1.0769 1.9071 1.9071 2.1405 2.1405 3.2031 3.2031 5.5971 5.5971 6.6178 6.6178 7.2739 7.2739 7.2998 7.2998 7.3275 7.3275 8.7554 8.7554 8.9962 8.9962 9.0292 9.0292 9.8945 9.8945 10.5527 10.5527 18.1681 18.1681 18.2405 18.2405 19.7976 19.7976 19.8904 19.8904 k = 0.4795-1.9330-1.1271 ( 1702 PWs) bands (ev): -2.8950 -2.8950 -2.3830 -2.3830 -1.9483 -1.9483 -0.8251 -0.8251 -0.7128 -0.7128 0.1779 0.1779 1.1367 1.1367 1.8361 1.8361 2.2000 2.2000 3.0660 3.0660 5.6388 5.6388 6.6367 6.6367 7.2673 7.2673 7.2915 7.2915 7.2933 7.2933 8.7353 8.7353 8.9927 8.9927 9.0184 9.0184 9.8897 9.8897 10.5458 10.5458 18.1754 18.1754 18.2402 18.2402 19.7955 19.7955 19.8866 19.8866 k = 0.4863-1.9606-1.1432 ( 1709 PWs) bands (ev): -2.8061 -2.8061 -2.3643 -2.3643 -1.9150 -1.9150 -0.8281 -0.8281 -0.7725 -0.7725 0.1191 0.1191 1.2099 1.2099 1.7369 1.7369 2.2958 2.2958 2.9381 2.9381 5.6705 5.6705 6.6487 6.6487 7.2625 7.2625 7.2690 7.2690 7.2856 7.2856 8.7204 8.7204 8.9911 8.9911 9.0097 9.0097 9.8863 9.8863 10.5408 10.5408 18.1808 18.1808 18.2401 18.2401 19.7932 19.7932 19.8846 19.8846 k = 0.4932-1.9882-1.1593 ( 1708 PWs) bands (ev): -2.7424 -2.7424 -2.3641 -2.3641 -1.8920 -1.8920 -0.8383 -0.8383 -0.7993 -0.7993 0.0787 0.0787 1.2807 1.2807 1.6485 1.6485 2.3866 2.3866 2.8321 2.8321 5.6905 5.6905 6.6551 6.6551 7.2543 7.2543 7.2600 7.2600 7.2820 7.2820 8.7111 8.7111 8.9910 8.9910 9.0036 9.0036 9.8844 9.8844 10.5378 10.5378 18.1841 18.1841 18.2400 18.2400 19.7917 19.7917 19.8836 19.8836 k = 0.5000-2.0158-1.1754 ( 1710 PWs) bands (ev): -2.7183 -2.7183 -2.3671 -2.3671 -1.8835 -1.8835 -0.8480 -0.8480 -0.8019 -0.8019 0.0643 0.0643 1.3152 1.3152 1.6081 1.6081 2.4296 2.4296 2.7843 2.7843 5.6973 5.6973 6.6571 6.6571 7.2496 7.2496 7.2590 7.2590 7.2808 7.2808 8.7080 8.7080 8.9914 8.9914 9.0011 9.0011 9.8837 9.8837 10.5368 10.5368 18.1852 18.1852 18.2400 18.2400 19.7911 19.7911 19.8833 19.8833 k = 0.5000-2.0158-1.1754 ( 1710 PWs) bands (ev): -2.7183 -2.7183 -2.3671 -2.3671 -1.8835 -1.8835 -0.8480 -0.8480 -0.8019 -0.8019 0.0643 0.0643 1.3152 1.3152 1.6081 1.6081 2.4296 2.4296 2.7843 2.7843 5.6973 5.6973 6.6571 6.6571 7.2496 7.2496 7.2590 7.2590 7.2808 7.2808 8.7080 8.7080 8.9914 8.9914 9.0011 9.0011 9.8837 9.8837 10.5368 10.5368 18.1852 18.1852 18.2400 18.2400 19.7911 19.7911 19.8833 19.8833 k = 0.5000-1.9994-1.2036 ( 1710 PWs) bands (ev): -2.7173 -2.7173 -2.3661 -2.3661 -1.8825 -1.8825 -0.8471 -0.8471 -0.8010 -0.8010 0.0653 0.0653 1.3160 1.3160 1.6089 1.6089 2.4304 2.4304 2.7850 2.7850 5.6977 5.6977 6.6575 6.6575 7.2482 7.2482 7.2532 7.2532 7.2752 7.2752 8.7008 8.7008 8.9928 8.9928 8.9968 8.9968 9.8827 9.8827 10.5315 10.5315 18.1936 18.1936 18.2484 18.2484 19.7901 19.7901 19.8856 19.8856 k = 0.5000-1.9830-1.2317 ( 1706 PWs) bands (ev): -2.7141 -2.7141 -2.3629 -2.3629 -1.8795 -1.8795 -0.8444 -0.8444 -0.7985 -0.7985 0.0684 0.0684 1.3186 1.3186 1.6112 1.6112 2.4327 2.4327 2.7872 2.7872 5.6988 5.6988 6.6586 6.6586 7.2350 7.2350 7.2439 7.2439 7.2594 7.2594 8.6798 8.6798 8.9838 8.9838 8.9968 8.9968 9.8797 9.8797 10.5158 10.5158 18.2189 18.2189 18.2736 18.2736 19.7870 19.7870 19.8918 19.8918 k = 0.5000-1.9665-1.2599 ( 1706 PWs) bands (ev): -2.7089 -2.7089 -2.3578 -2.3578 -1.8745 -1.8745 -0.8400 -0.8400 -0.7943 -0.7943 0.0736 0.0736 1.3229 1.3229 1.6151 1.6151 2.4366 2.4366 2.7908 2.7908 5.7005 5.7005 6.6603 6.6603 7.2057 7.2057 7.2271 7.2271 7.2424 7.2424 8.6460 8.6460 8.9623 8.9623 9.0023 9.0023 9.8748 9.8748 10.4896 10.4896 18.2607 18.2607 18.3154 18.3154 19.7817 19.7817 19.9002 19.9002 k = 0.5000-1.9501-1.2881 ( 1704 PWs) bands (ev): -2.7016 -2.7016 -2.3506 -2.3506 -1.8676 -1.8676 -0.8339 -0.8339 -0.7884 -0.7884 0.0808 0.0808 1.3288 1.3288 1.6205 1.6205 2.4420 2.4420 2.7959 2.7959 5.7028 5.7028 6.6621 6.6621 7.1651 7.1651 7.1908 7.1908 7.2321 7.2321 8.6007 8.6007 8.9330 8.9330 9.0083 9.0083 9.8677 9.8677 10.4532 10.4532 18.3188 18.3188 18.3734 18.3734 19.7741 19.7741 19.9095 19.9095 k = 0.5000-1.9337-1.3162 ( 1700 PWs) bands (ev): -2.6922 -2.6922 -2.3413 -2.3413 -1.8586 -1.8586 -0.8261 -0.8261 -0.7809 -0.7809 0.0902 0.0902 1.3365 1.3365 1.6274 1.6274 2.4489 2.4489 2.8023 2.8023 5.7055 5.7055 6.6632 6.6632 7.1140 7.1140 7.1444 7.1444 7.2200 7.2200 8.5450 8.5450 8.8964 8.8964 9.0143 9.0143 9.8586 9.8586 10.4069 10.4069 18.3926 18.3926 18.4472 18.4472 19.7642 19.7642 19.9189 19.9189 k = 0.5000-1.9173-1.3444 ( 1696 PWs) bands (ev): -2.6807 -2.6807 -2.3300 -2.3300 -1.8477 -1.8477 -0.8165 -0.8165 -0.7718 -0.7718 0.1015 0.1015 1.3458 1.3458 1.6358 1.6358 2.4573 2.4573 2.8101 2.8101 5.7084 5.7084 6.6625 6.6625 7.0531 7.0531 7.0906 7.0906 7.2047 7.2047 8.4797 8.4797 8.8534 8.8534 9.0198 9.0198 9.8473 9.8473 10.3510 10.3510 18.4818 18.4818 18.5362 18.5362 19.7518 19.7518 19.9284 19.9284 k = 0.5000-1.9008-1.3725 ( 1696 PWs) bands (ev): -2.6672 -2.6672 -2.3166 -2.3166 -1.8348 -1.8348 -0.8052 -0.8052 -0.7610 -0.7610 0.1149 0.1149 1.3568 1.3568 1.6456 1.6456 2.4672 2.4672 2.8192 2.8192 5.7110 5.7110 6.6573 6.6573 6.9834 6.9834 7.0329 7.0329 7.1855 7.1855 8.4056 8.4056 8.8050 8.8050 9.0246 9.0246 9.8337 9.8337 10.2860 10.2860 18.5854 18.5854 18.6398 18.6398 19.7368 19.7368 19.9381 19.9381 k = 0.5000-1.8844-1.4007 ( 1692 PWs) bands (ev): -2.6515 -2.6515 -2.3012 -2.3012 -1.8199 -1.8199 -0.7923 -0.7923 -0.7486 -0.7486 0.1304 0.1304 1.3693 1.3693 1.6568 1.6568 2.4785 2.4785 2.8295 2.8295 5.7129 5.7129 6.6433 6.6433 6.9059 6.9059 6.9763 6.9763 7.1619 7.1619 8.3234 8.3234 8.7525 8.7525 9.0287 9.0287 9.8180 9.8180 10.2122 10.2122 18.7030 18.7030 18.7571 18.7571 19.7195 19.7195 19.9483 19.9483 k = 0.5000-1.8680-1.4289 ( 1692 PWs) bands (ev): -2.6338 -2.6338 -2.2838 -2.2838 -1.8030 -1.8030 -0.7777 -0.7777 -0.7347 -0.7347 0.1479 0.1479 1.3835 1.3835 1.6693 1.6693 2.4911 2.4911 2.8411 2.8411 5.7134 5.7134 6.6134 6.6134 6.8220 6.8220 6.9286 6.9286 7.1329 7.1329 8.2338 8.2338 8.6969 8.6969 9.0318 9.0318 9.8000 9.8000 10.1302 10.1302 18.8335 18.8335 18.8874 18.8874 19.6996 19.6996 19.9590 19.9590 k = 0.5000-1.8516-1.4570 ( 1694 PWs) bands (ev): -2.6140 -2.6140 -2.2643 -2.2643 -1.7842 -1.7842 -0.7616 -0.7616 -0.7193 -0.7193 0.1674 0.1674 1.3993 1.3993 1.6832 1.6832 2.5052 2.5052 2.8537 2.8537 5.7115 5.7115 6.5613 6.5613 6.7334 6.7334 6.8969 6.8969 7.0979 7.0979 8.1375 8.1375 8.6398 8.6398 9.0339 9.0339 9.7796 9.7796 10.0405 10.0405 18.9761 18.9761 19.0297 19.0297 19.6775 19.6775 19.9705 19.9705 k = 0.5000-1.8352-1.4852 ( 1694 PWs) bands (ev): -2.5921 -2.5921 -2.2428 -2.2428 -1.7635 -1.7635 -0.7438 -0.7438 -0.7024 -0.7024 0.1889 0.1889 1.4165 1.4165 1.6982 1.6982 2.5205 2.5205 2.8674 2.8674 5.7059 5.7059 6.4864 6.4864 6.6421 6.6421 6.8824 6.8824 7.0564 7.0564 8.0353 8.0353 8.5826 8.5826 9.0350 9.0350 9.7571 9.7571 9.9435 9.9435 19.1298 19.1298 19.1829 19.1829 19.6532 19.6532 19.9830 19.9830 k = 0.5000-1.8187-1.5134 ( 1698 PWs) bands (ev): -2.5682 -2.5682 -2.2193 -2.2193 -1.7408 -1.7408 -0.7246 -0.7246 -0.6840 -0.6840 0.2124 0.2124 1.4352 1.4352 1.7143 1.7143 2.5371 2.5371 2.8821 2.8821 5.6945 5.6945 6.3938 6.3938 6.5506 6.5506 6.8802 6.8802 7.0080 7.0080 7.9281 7.9281 8.5267 8.5267 9.0350 9.0350 9.7323 9.7323 9.8399 9.8399 19.2932 19.2932 19.3458 19.3458 19.6274 19.6274 19.9969 19.9969 k = 0.5000-1.8023-1.5415 ( 1698 PWs) bands (ev): -2.5422 -2.5422 -2.1937 -2.1937 -1.7162 -1.7162 -0.7039 -0.7039 -0.6643 -0.6643 0.2378 0.2378 1.4554 1.4554 1.7314 1.7314 2.5550 2.5550 2.8976 2.8976 5.6750 5.6750 6.2887 6.2887 6.4621 6.4621 6.8825 6.8825 6.9555 6.9555 7.8168 7.8168 8.4736 8.4736 9.0337 9.0337 9.7053 9.7053 9.7304 9.7304 19.4615 19.4615 19.5162 19.5162 19.6038 19.6038 20.0133 20.0133 k = 0.5000-1.7859-1.5697 ( 1708 PWs) bands (ev): -2.5141 -2.5141 -2.1662 -2.1662 -1.6896 -1.6896 -0.6818 -0.6818 -0.6433 -0.6433 0.2652 0.2652 1.4769 1.4769 1.7493 1.7493 2.5739 2.5739 2.9137 2.9137 5.6438 5.6438 6.1752 6.1752 6.3801 6.3801 6.8603 6.8603 6.9243 6.9243 7.7023 7.7023 8.4242 8.4242 9.0310 9.0310 9.6146 9.6146 9.6772 9.6772 19.5505 19.5505 19.6660 19.6660 19.6896 19.6896 20.0357 20.0357 k = 0.5000-1.7695-1.5978 ( 1706 PWs) bands (ev): -2.4839 -2.4839 -2.1366 -2.1366 -1.6611 -1.6611 -0.6584 -0.6584 -0.6210 -0.6210 0.2946 0.2946 1.4997 1.4997 1.7680 1.7680 2.5939 2.5939 2.9304 2.9304 5.5981 5.5981 6.0557 6.0557 6.3085 6.3085 6.7930 6.7930 6.9332 6.9332 7.5859 7.5859 8.3795 8.3795 9.0266 9.0266 9.4943 9.4943 9.6468 9.6468 19.5260 19.5260 19.8470 19.8470 19.8509 19.8509 20.0780 20.0780 k = 0.5000-1.7530-1.6260 ( 1708 PWs) bands (ev): -2.4517 -2.4517 -2.1051 -2.1051 -1.6308 -1.6308 -0.6338 -0.6338 -0.5977 -0.5977 0.3258 0.3258 1.5237 1.5237 1.7872 1.7872 2.6148 2.6148 2.9473 2.9473 5.5355 5.5355 5.9320 5.9320 6.2493 6.2493 6.7090 6.7090 6.9525 6.9525 7.4688 7.4688 8.3400 8.3400 9.0202 9.0202 9.3694 9.3694 9.6151 9.6151 19.4935 19.4935 19.9561 19.9561 20.0398 20.0398 20.1831 20.1831 k = 0.5000-1.7366-1.6542 ( 1708 PWs) bands (ev): -2.4175 -2.4175 -2.0715 -2.0715 -1.5985 -1.5985 -0.6080 -0.6080 -0.5732 -0.5732 0.3589 0.3589 1.5488 1.5488 1.8067 1.8067 2.6365 2.6365 2.9643 2.9643 5.4559 5.4559 5.8058 5.8058 6.2026 6.2026 6.6146 6.6146 6.9758 6.9758 7.3528 7.3528 8.3060 8.3060 9.0114 9.0114 9.2406 9.2406 9.5825 9.5825 19.4588 19.4588 19.9987 19.9987 20.2364 20.2364 20.3563 20.3563 k = 0.5000-1.7202-1.6823 ( 1708 PWs) bands (ev): -2.3812 -2.3812 -2.0360 -2.0360 -1.5645 -1.5645 -0.5812 -0.5812 -0.5479 -0.5479 0.3939 0.3939 1.5748 1.5748 1.8263 1.8263 2.6590 2.6590 2.9812 2.9812 5.3614 5.3614 5.6783 5.6783 6.1656 6.1656 6.5112 6.5112 7.0015 7.0015 7.2398 7.2398 8.2775 8.2775 8.9996 8.9996 9.1084 9.1084 9.5492 9.5492 19.4232 19.4232 20.0191 20.0191 20.4319 20.4319 20.5557 20.5557 k = 0.5000-1.7038-1.7105 ( 1708 PWs) bands (ev): -2.3428 -2.3428 -1.9986 -1.9986 -1.5285 -1.5285 -0.5536 -0.5536 -0.5218 -0.5218 0.4307 0.4307 1.6016 1.6016 1.8455 1.8455 2.6820 2.6820 2.9974 2.9974 5.2553 5.2553 5.5504 5.5504 6.1341 6.1341 6.3998 6.3998 7.0294 7.0294 7.1323 7.1323 8.2541 8.2541 8.9729 8.9729 8.9848 8.9848 9.5160 9.5160 19.3872 19.3872 20.0316 20.0316 20.6192 20.6192 20.7646 20.7646 k = 0.5000-1.6874-1.7387 ( 1712 PWs) bands (ev): -2.3025 -2.3025 -1.9593 -1.9593 -1.4908 -1.4908 -0.5252 -0.5252 -0.4952 -0.4952 0.4692 0.4692 1.6291 1.6291 1.8642 1.8642 2.7055 2.7055 3.0128 3.0128 5.1413 5.1413 5.4237 5.4237 6.1032 6.1032 6.2812 6.2812 7.0331 7.0331 7.0589 7.0589 8.2355 8.2355 8.8356 8.8356 8.9652 8.9652 9.4834 9.4834 19.3511 19.3511 20.0397 20.0397 20.7851 20.7851 20.9775 20.9775 k = 0.5000-1.6709-1.7668 ( 1712 PWs) bands (ev): -2.2601 -2.2601 -1.9180 -1.9180 -1.4513 -1.4513 -0.4963 -0.4963 -0.4681 -0.4681 0.5094 0.5094 1.6571 1.6571 1.8819 1.8819 2.7293 2.7293 3.0268 3.0268 5.0223 5.0223 5.2993 5.2993 6.0678 6.0678 6.1567 6.1567 6.9462 6.9462 7.0897 7.0897 8.2214 8.2214 8.6963 8.6963 8.9411 8.9411 9.4520 9.4520 19.3153 19.3153 20.0441 20.0441 20.9108 20.9108 21.1900 21.1900 k = 0.5000-1.6545-1.7950 ( 1712 PWs) bands (ev): -2.2157 -2.2157 -1.8748 -1.8748 -1.4100 -1.4100 -0.4671 -0.4671 -0.4408 -0.4408 0.5513 0.5513 1.6852 1.6852 1.8980 1.8980 2.7533 2.7533 3.0390 3.0390 4.9008 4.9008 5.1783 5.1783 6.0237 6.0237 6.0272 6.0272 6.8747 6.8747 7.1213 7.1213 8.2111 8.2111 8.5559 8.5559 8.9117 8.9117 9.4225 9.4225 19.2803 19.2803 20.0448 20.0448 20.9857 20.9857 21.3964 21.3964 k = 0.5000-1.6381-1.8232 ( 1712 PWs) bands (ev): -2.1693 -2.1693 -1.8298 -1.8298 -1.3670 -1.3670 -0.4379 -0.4379 -0.4136 -0.4136 0.5948 0.5948 1.7134 1.7134 1.9121 1.9121 2.7772 2.7772 3.0488 3.0488 4.7789 4.7789 5.0618 5.0618 5.8935 5.8935 5.9683 5.9683 6.8212 6.8212 7.1534 7.1534 8.2040 8.2040 8.4150 8.4150 8.8766 8.8766 9.3952 9.3952 19.2463 19.2463 20.0415 20.0415 21.0196 21.0196 21.5829 21.5829 k = 0.5000-1.6217-1.8513 ( 1712 PWs) bands (ev): -2.1209 -2.1209 -1.7829 -1.7829 -1.3224 -1.3224 -0.4089 -0.4089 -0.3867 -0.3867 0.6398 0.6398 1.7412 1.7412 1.9236 1.9236 2.8011 2.8011 3.0555 3.0555 4.6582 4.6582 4.9512 4.9512 5.7566 5.7566 5.9009 5.9009 6.7861 6.7861 7.1850 7.1850 8.1987 8.1987 8.2763 8.2763 8.8354 8.8354 9.3704 9.3704 19.2138 19.2138 20.0336 20.0336 21.0292 21.0292 21.6924 21.6924 k = 0.5000-1.6053-1.8795 ( 1720 PWs) bands (ev): -2.0706 -2.0706 -1.7343 -1.7343 -1.2762 -1.2762 -0.3806 -0.3806 -0.3607 -0.3607 0.6862 0.6862 1.7682 1.7682 1.9318 1.9318 2.8247 2.8247 3.0586 3.0586 4.5404 4.5404 4.8474 4.8474 5.6175 5.6175 5.8236 5.8236 6.7680 6.7680 7.2150 7.2150 8.1333 8.1333 8.2024 8.2024 8.7883 8.7883 9.3481 9.3481 19.1831 19.1831 20.0206 20.0206 21.0252 21.0252 21.6875 21.6875 k = 0.5000-1.5888-1.9076 ( 1718 PWs) bands (ev): -2.0182 -2.0182 -1.6839 -1.6839 -1.2283 -1.2283 -0.3532 -0.3532 -0.3357 -0.3357 0.7341 0.7341 1.7942 1.7942 1.9361 1.9361 2.8482 2.8482 3.0574 3.0574 4.4265 4.4265 4.7519 4.7519 5.4770 5.4770 5.7396 5.7396 6.7642 6.7642 7.2410 7.2410 8.0019 8.0019 8.2016 8.2016 8.7354 8.7354 9.3281 9.3281 19.1543 19.1543 20.0020 20.0020 21.0135 21.0135 21.6551 21.6551 k = 0.5000-1.5724-1.9358 ( 1724 PWs) bands (ev): -1.9640 -1.9640 -1.6317 -1.6317 -1.1790 -1.1790 -0.3275 -0.3275 -0.3124 -0.3124 0.7831 0.7831 1.8186 1.8186 1.9357 1.9357 2.8713 2.8713 3.0514 3.0514 4.3176 4.3176 4.6655 4.6655 5.3361 5.3361 5.6528 5.6528 6.7720 6.7720 7.2588 7.2588 7.8784 7.8784 8.2040 8.2040 8.6773 8.6773 9.3101 9.3101 19.1278 19.1278 19.9775 19.9775 20.9969 20.9969 21.6215 21.6215 k = 0.5000-1.5560-1.9640 ( 1722 PWs) bands (ev): -1.9078 -1.9078 -1.5779 -1.5779 -1.1283 -1.1283 -0.3039 -0.3039 -0.2912 -0.2912 0.8334 0.8334 1.8411 1.8411 1.9302 1.9302 2.8942 2.8942 3.0401 3.0401 4.2146 4.2146 4.5891 4.5891 5.1958 5.1958 5.5668 5.5668 6.7886 6.7886 7.2599 7.2599 7.7729 7.7729 8.2081 8.2081 8.6143 8.6143 9.2937 9.2937 19.1037 19.1037 19.9469 19.9469 20.9771 20.9771 21.5921 21.5921 k = 0.5000-1.5396-1.9921 ( 1722 PWs) bands (ev): -1.8498 -1.8498 -1.5225 -1.5225 -1.0763 -1.0763 -0.2831 -0.2831 -0.2728 -0.2728 0.8846 0.8846 1.8610 1.8610 1.9194 1.9194 2.9169 2.9169 3.0234 3.0234 4.1179 4.1179 4.5230 4.5230 5.0574 5.0574 5.4849 5.4849 6.8120 6.8120 7.2313 7.2313 7.6985 7.6985 8.2138 8.2138 8.5472 8.5472 9.2784 9.2784 19.0822 19.0822 19.9104 19.9104 20.9551 20.9551 21.5692 21.5692 k = 0.5000-1.5231-2.0203 ( 1718 PWs) bands (ev): -1.7899 -1.7899 -1.4654 -1.4654 -1.0231 -1.0231 -0.2660 -0.2660 -0.2578 -0.2578 0.9367 0.9367 1.8782 1.8782 1.9032 1.9032 2.9394 2.9394 3.0011 3.0011 4.0277 4.0277 4.4669 4.4669 4.9226 4.9226 5.4098 5.4098 6.8405 6.8405 7.1643 7.1643 7.6644 7.6644 8.2207 8.2207 8.4764 8.4764 9.2641 9.2641 19.0635 19.0635 19.8682 19.8682 20.9317 20.9317 21.5536 21.5536 k = 0.5000-1.5067-2.0485 ( 1720 PWs) bands (ev): -1.7283 -1.7283 -1.4070 -1.4070 -0.9689 -0.9689 -0.2535 -0.2535 -0.2471 -0.2471 0.9893 0.9893 1.8819 1.8819 1.8922 1.8922 2.9618 2.9618 2.9736 2.9736 3.9444 3.9444 4.4194 4.4194 4.7938 4.7938 5.3436 5.3436 6.8728 6.8728 7.0653 7.0653 7.6643 7.6643 8.2286 8.2286 8.4028 8.4028 9.2500 9.2500 19.0477 19.0477 19.8208 19.8208 20.9072 20.9072 21.5454 21.5454 k = 0.5000-1.4903-2.0766 ( 1716 PWs) bands (ev): -1.6649 -1.6649 -1.3471 -1.3471 -0.9139 -0.9139 -0.2465 -0.2465 -0.2414 -0.2414 1.0423 1.0423 1.8565 1.8565 1.9032 1.9032 2.9409 2.9409 2.9839 2.9839 3.8681 3.8681 4.3767 4.3767 4.6759 4.6759 5.2882 5.2882 6.9077 6.9077 6.9478 6.9478 7.6851 7.6851 8.2375 8.2375 8.3269 8.3269 9.2360 9.2360 19.0348 19.0348 19.7691 19.7691 20.8823 20.8823 21.5446 21.5446 k = 0.5000-1.4739-2.1048 ( 1716 PWs) bands (ev): -1.5998 -1.5998 -1.2859 -1.2859 -0.8584 -0.8584 -0.2462 -0.2462 -0.2415 -0.2415 1.0954 1.0954 1.8282 1.8282 1.9113 1.9113 2.9030 2.9030 3.0055 3.0055 3.7994 3.7994 4.3300 4.3300 4.5783 4.5783 5.2446 5.2446 6.8213 6.8213 6.9442 6.9442 7.7173 7.7173 8.2472 8.2472 8.2498 8.2498 9.2217 9.2217 19.0248 19.0248 19.7136 19.7136 20.8574 20.8574 21.5507 21.5507 k = 0.5000-1.4575-2.1330 ( 1718 PWs) bands (ev): -1.5332 -1.5332 -1.2236 -1.2236 -0.8029 -0.8029 -0.2537 -0.2537 -0.2480 -0.2480 1.1480 1.1480 1.7984 1.7984 1.9173 1.9173 2.8593 2.8593 3.0259 3.0259 3.7396 3.7396 4.2669 4.2669 4.5140 4.5140 5.2134 5.2134 6.6913 6.6913 6.9811 6.9811 7.7557 7.7557 8.1721 8.1721 8.2581 8.2581 9.2071 9.2071 19.0179 19.0179 19.6554 19.6554 20.8330 20.8330 21.5633 21.5633 k = 0.5000-1.4410-2.1611 ( 1720 PWs) bands (ev): -1.4653 -1.4653 -1.1603 -1.1603 -0.7479 -0.7479 -0.2701 -0.2701 -0.2613 -0.2613 1.1997 1.1997 1.7690 1.7690 1.9223 1.9223 2.8089 2.8089 3.0445 3.0445 3.6901 3.6901 4.1852 4.1852 4.4859 4.4859 5.1946 5.1946 6.5606 6.5606 7.0171 7.0171 7.7976 7.7976 8.0954 8.0954 8.2700 8.2700 9.1918 9.1918 19.0140 19.0140 19.5954 19.5954 20.8095 20.8095 21.5818 21.5818 k = 0.5000-1.4246-2.1893 ( 1718 PWs) bands (ev): -1.3961 -1.3961 -1.0962 -1.0962 -0.6944 -0.6944 -0.2963 -0.2963 -0.2810 -0.2810 1.2496 1.2496 1.7421 1.7421 1.9275 1.9275 2.7508 2.7508 3.0600 3.0600 3.6525 3.6525 4.0963 4.0963 4.4838 4.4838 5.1877 5.1877 6.4310 6.4310 7.0503 7.0503 7.8412 7.8412 8.0213 8.0213 8.2834 8.2834 9.1758 9.1758 19.0131 19.0131 19.5342 19.5342 20.7873 20.7873 21.6057 21.6057 k = 0.5000-1.4082-2.2174 ( 1720 PWs) bands (ev): -1.3263 -1.3263 -1.0315 -1.0315 -0.6447 -0.6447 -0.3331 -0.3331 -0.3059 -0.3059 1.2963 1.2963 1.7198 1.7198 1.9345 1.9345 2.6841 2.6841 3.0712 3.0712 3.6282 3.6282 4.0107 4.0107 4.4980 4.4980 5.1920 5.1920 6.3041 6.3041 7.0784 7.0784 7.8851 7.8851 7.9524 7.9524 8.2985 8.2985 9.1587 9.1587 19.0152 19.0152 19.4728 19.4728 20.7668 20.7668 21.6342 21.6342 k = 0.5000-1.3918-2.2456 ( 1716 PWs) bands (ev): -1.2563 -1.2563 -0.9666 -0.9666 -0.6029 -0.6029 -0.3811 -0.3811 -0.3316 -0.3316 1.3380 1.3380 1.7045 1.7045 1.9447 1.9447 2.6091 2.6091 3.0770 3.0770 3.6175 3.6175 3.9345 3.9345 4.5238 4.5238 5.2065 5.2065 6.1811 6.1811 7.0981 7.0981 7.8920 7.8920 7.9279 7.9279 8.3162 8.3162 9.1407 9.1407 19.0203 19.0203 19.4118 19.4118 20.7485 20.7485 21.6669 21.6669 k = 0.5000-1.3753-2.2738 ( 1726 PWs) bands (ev): -1.1874 -1.1874 -0.9016 -0.9016 -0.5776 -0.5776 -0.4402 -0.4402 -0.3490 -0.3490 1.3718 1.3718 1.6990 1.6990 1.9593 1.9593 2.5266 2.5266 3.0762 3.0762 3.6201 3.6201 3.8711 3.8711 4.5582 4.5582 5.2302 5.2302 6.0629 6.0629 7.1053 7.1053 7.8443 7.8443 7.9685 7.9685 8.3371 8.3371 9.1213 9.1213 19.0282 19.0282 19.3517 19.3517 20.7326 20.7326 21.7032 21.7032 k = 0.5000-1.3589-2.3019 ( 1726 PWs) bands (ev): -1.1219 -1.1219 -0.8372 -0.8372 -0.5793 -0.5793 -0.5102 -0.5102 -0.3457 -0.3457 1.3947 1.3947 1.7059 1.7059 1.9792 1.9792 2.4384 2.4384 3.0690 3.0690 3.6348 3.6348 3.8221 3.8221 4.6000 4.6000 5.2621 5.2621 5.9508 5.9508 7.0959 7.0959 7.8133 7.8133 8.0054 8.0054 8.3625 8.3625 9.1008 9.1008 19.0388 19.0388 19.2933 19.2933 20.7195 20.7195 21.7428 21.7428 k = 0.5000-1.3425-2.3301 ( 1724 PWs) bands (ev): -1.0645 -1.0645 -0.7736 -0.7736 -0.6043 -0.6043 -0.5906 -0.5906 -0.3208 -0.3208 1.4045 1.4045 1.7263 1.7263 2.0049 2.0049 2.3467 2.3467 3.0568 3.0568 3.6603 3.6603 3.7871 3.7871 4.6479 4.6479 5.3013 5.3013 5.8460 5.8460 7.0676 7.0676 7.8017 7.8017 8.0375 8.0375 8.3931 8.3931 9.0791 9.0791 19.0523 19.0523 19.2369 19.2369 20.7094 20.7094 21.7853 21.7853 k = 0.5000-1.3261-2.3583 ( 1724 PWs) bands (ev): -1.0255 -1.0255 -0.7119 -0.7119 -0.6804 -0.6804 -0.6323 -0.6323 -0.2845 -0.2845 1.4018 1.4018 1.7590 1.7590 2.0360 2.0360 2.2546 2.2546 3.0419 3.0419 3.6949 3.6949 3.7642 3.7642 4.7010 4.7010 5.3469 5.3469 5.7499 5.7499 7.0209 7.0209 7.8091 7.8091 8.0638 8.0638 8.4296 8.4296 9.0561 9.0561 19.0683 19.0683 19.1831 19.1831 20.7028 20.7028 21.8301 21.8301 k = 0.5000-1.3097-2.3864 ( 1722 PWs) bands (ev): -1.0215 -1.0215 -0.7789 -0.7789 -0.6525 -0.6525 -0.6387 -0.6387 -0.2454 -0.2454 1.3889 1.3889 1.8008 1.8008 2.0677 2.0677 2.1691 2.1691 3.0273 3.0273 3.7375 3.7375 3.7507 3.7507 4.7588 4.7588 5.3982 5.3982 5.6638 5.6638 6.9588 6.9588 7.8326 7.8326 8.0841 8.0841 8.4721 8.4721 9.0318 9.0318 19.0870 19.0870 19.1322 19.1322 20.6996 20.6996 21.8771 21.8771 k = 0.8300-1.2693-2.3152 ( 1722 PWs) bands (ev): -1.0215 -1.0215 -0.7789 -0.7789 -0.6525 -0.6525 -0.6387 -0.6387 -0.2454 -0.2454 1.3889 1.3889 1.8008 1.8008 2.0677 2.0677 2.1691 2.1691 3.0273 3.0273 3.7375 3.7375 3.7507 3.7507 4.7588 4.7588 5.3982 5.3982 5.6638 5.6638 6.9588 6.9588 7.8326 7.8326 8.0841 8.0841 8.4721 8.4721 9.0318 9.0318 19.0870 19.0870 19.1322 19.1322 20.6996 20.6996 21.8771 21.8771 k = 0.8260-1.2533-2.2869 ( 1726 PWs) bands (ev): -1.0615 -1.0615 -0.8854 -0.8854 -0.6101 -0.6101 -0.5965 -0.5965 -0.2079 -0.2079 1.3681 1.3681 1.8490 1.8490 2.0495 2.0495 2.1429 2.1429 3.0155 3.0155 3.7434 3.7434 3.7869 3.7869 4.8211 4.8211 5.4546 5.4546 5.5888 5.5888 6.8848 6.8848 7.8688 7.8688 8.0988 8.0988 8.5205 8.5205 9.0060 9.0060 19.0841 19.0841 19.1081 19.1081 20.7002 20.7002 21.9261 21.9261 k = 0.8220-1.2373-2.2585 ( 1720 PWs) bands (ev): -1.1358 -1.1358 -0.9985 -0.9985 -0.5537 -0.5537 -0.5454 -0.5454 -0.1755 -0.1755 1.3422 1.3422 1.9011 1.9011 1.9740 1.9740 2.1861 2.1861 3.0086 3.0086 3.7402 3.7402 3.8420 3.8420 4.8872 4.8872 5.5154 5.5154 5.5268 5.5268 6.8029 6.8029 7.9142 7.9142 8.1081 8.1081 8.5737 8.5737 8.9790 8.9790 19.0396 19.0396 19.1318 19.1318 20.7047 20.7047 21.9765 21.9765 k = 0.8181-1.2213-2.2302 ( 1718 PWs) bands (ev): -1.2308 -1.2308 -1.1171 -1.1171 -0.5009 -0.5009 -0.4817 -0.4817 -0.1507 -0.1507 1.3139 1.3139 1.8995 1.8995 1.9551 1.9551 2.2424 2.2424 3.0070 3.0070 3.7394 3.7394 3.9017 3.9017 4.9567 4.9567 5.4788 5.4788 5.5799 5.5799 6.7160 6.7160 7.9661 7.9661 8.1129 8.1129 8.6309 8.6309 8.9509 8.9509 18.9988 18.9988 19.1577 19.1577 20.7132 20.7132 22.0280 22.0280 k = 0.8141-1.2052-2.2019 ( 1720 PWs) bands (ev): -1.3384 -1.3384 -1.2404 -1.2404 -0.4648 -0.4648 -0.4009 -0.4009 -0.1358 -0.1358 1.2860 1.2860 1.8346 1.8346 2.0092 2.0092 2.3056 2.3056 3.0104 3.0104 3.7408 3.7408 3.9653 3.9653 5.0291 5.0291 5.4458 5.4458 5.6472 5.6472 6.6265 6.6265 8.0226 8.0226 8.1137 8.1137 8.6915 8.6915 8.9218 8.9218 18.9619 18.9619 19.1858 19.1858 20.7256 20.7256 22.0801 22.0801 k = 0.8101-1.1892-2.1736 ( 1720 PWs) bands (ev): -1.4543 -1.4543 -1.3675 -1.3675 -0.4391 -0.4391 -0.3148 -0.3148 -0.1329 -0.1329 1.2620 1.2620 1.7827 1.7827 2.0619 2.0619 2.3744 2.3744 3.0180 3.0180 3.7451 3.7451 4.0319 4.0319 5.1041 5.1041 5.4282 5.4282 5.7164 5.7164 6.5367 6.5367 8.0821 8.0821 8.1110 8.1110 8.7547 8.7547 8.8921 8.8921 18.9292 18.9292 19.2161 19.2161 20.7421 20.7421 22.1324 22.1324 k = 0.8061-1.1732-2.1452 ( 1716 PWs) bands (ev): -1.5759 -1.5759 -1.4976 -1.4976 -0.4260 -0.4260 -0.2260 -0.2260 -0.1427 -0.1427 1.2449 1.2449 1.7459 1.7459 2.1107 2.1107 2.4481 2.4481 3.0288 3.0288 3.7541 3.7541 4.1009 4.1009 5.1814 5.1814 5.4259 5.4259 5.7859 5.7859 6.4492 6.4492 8.1052 8.1052 8.1435 8.1435 8.8201 8.8201 8.8622 8.8622 18.9007 18.9007 19.2486 19.2486 20.7626 20.7626 22.1846 22.1846 k = 0.8022-1.1571-2.1169 ( 1718 PWs) bands (ev): -1.7019 -1.7019 -1.6303 -1.6303 -0.4273 -0.4273 -0.1768 -0.1768 -0.1253 -0.1253 1.2378 1.2378 1.7258 1.7258 2.1530 2.1530 2.5265 2.5265 3.0423 3.0423 3.7699 3.7699 4.1715 4.1715 5.2603 5.2603 5.4386 5.4386 5.8526 5.8526 6.3678 6.3678 8.0967 8.0967 8.2052 8.2052 8.8328 8.8328 8.8873 8.8873 18.8765 18.8765 19.2830 19.2830 20.7868 20.7868 22.2358 22.2358 k = 0.7982-1.1411-2.0886 ( 1714 PWs) bands (ev): -1.8310 -1.8310 -1.7648 -1.7648 -0.4440 -0.4440 -0.2148 -0.2148 -0.0334 -0.0334 1.2430 1.2430 1.7228 1.7228 2.1855 2.1855 2.6090 2.6090 3.0596 3.0596 3.7945 3.7945 4.2428 4.2428 5.3400 5.3400 5.4661 5.4661 5.9098 5.9098 6.3005 6.3005 8.0857 8.0857 8.2656 8.2656 8.8053 8.8053 8.9560 8.9560 18.8569 18.8569 19.3195 19.3195 20.8148 20.8148 22.2855 22.2855 k = 0.7942-1.1251-2.0603 ( 1714 PWs) bands (ev): -1.9624 -1.9624 -1.9008 -1.9008 -0.4765 -0.4765 -0.2703 -0.2703 0.0634 0.0634 1.2616 1.2616 1.7364 1.7364 2.2048 2.2048 2.6955 2.6955 3.0825 3.0825 3.8294 3.8294 4.3137 4.3137 5.4184 5.4184 5.5086 5.5086 5.9423 5.9423 6.2632 6.2632 8.0724 8.0724 8.3223 8.3223 8.7820 8.7820 9.0258 9.0258 18.8416 18.8416 19.3578 19.3578 20.8461 20.8461 22.3326 22.3326 k = 0.7902-1.1090-2.0320 ( 1716 PWs) bands (ev): -2.0955 -2.0955 -2.0378 -2.0378 -0.5240 -0.5240 -0.3394 -0.3394 0.1623 0.1623 1.2941 1.2941 1.7656 1.7656 2.2077 2.2077 2.7855 2.7855 3.1139 3.1139 3.8749 3.8749 4.3831 4.3831 5.4931 5.4931 5.5674 5.5674 5.9336 5.9336 6.2737 6.2737 8.0569 8.0569 8.3710 8.3710 8.7666 8.7666 9.0967 9.0967 18.8309 18.8309 19.3980 19.3980 20.8807 20.8807 22.3759 22.3759 k = 0.7863-1.0930-2.0036 ( 1712 PWs) bands (ev): -2.2299 -2.2299 -2.1754 -2.1754 -0.5853 -0.5853 -0.4200 -0.4200 0.2627 0.2627 1.3397 1.3397 1.8087 1.8087 2.1927 2.1927 2.8789 2.8789 3.1561 3.1561 3.9307 3.9307 4.4494 4.4494 5.5640 5.5640 5.6412 5.6412 5.8922 5.8922 6.3253 6.3253 8.0396 8.0396 8.4059 8.4059 8.7650 8.7650 9.1684 9.1684 18.8247 18.8247 19.4400 19.4400 20.9180 20.9180 22.4137 22.4137 k = 0.7823-1.0770-1.9753 ( 1712 PWs) bands (ev): -2.3650 -2.3650 -2.3133 -2.3133 -0.6586 -0.6586 -0.5102 -0.5102 0.3643 0.3643 1.3971 1.3971 1.8639 1.8639 2.1600 2.1600 2.9754 2.9754 3.2101 3.2101 3.9958 3.9958 4.5105 4.5105 5.6349 5.6349 5.7246 5.7246 5.8398 5.8398 6.3984 6.3984 8.0204 8.0204 8.4213 8.4213 8.7826 8.7826 9.2409 9.2409 18.8229 18.8229 19.4838 19.4838 20.9576 20.9576 22.4437 22.4437 k = 0.7783-1.0610-1.9470 ( 1716 PWs) bands (ev): -2.5005 -2.5005 -2.4513 -2.4513 -0.7419 -0.7419 -0.6082 -0.6082 0.4669 0.4669 1.4650 1.4650 1.9296 1.9296 2.1114 2.1114 3.0748 3.0748 3.2756 3.2756 4.0692 4.0692 4.5638 4.5638 5.7092 5.7092 5.7898 5.7898 5.8131 5.8131 6.4822 6.4822 7.9995 7.9995 8.4165 8.4165 8.8200 8.8200 9.3138 9.3138 18.8256 18.8256 19.5293 19.5293 20.9990 20.9990 22.4633 22.4633 k = 0.7743-1.0449-1.9187 ( 1716 PWs) bands (ev): -2.6362 -2.6362 -2.5892 -2.5892 -0.8334 -0.8334 -0.7124 -0.7124 0.5702 0.5702 1.5415 1.5415 2.0043 2.0043 2.0499 2.0499 3.1769 3.1769 3.3512 3.3512 4.1497 4.1497 4.6062 4.6062 5.7502 5.7502 5.7879 5.7879 5.9046 5.9046 6.5718 6.5718 7.9774 7.9774 8.3962 8.3962 8.8729 8.8729 9.3872 9.3872 18.8326 18.8326 19.5763 19.5763 21.0416 21.0416 22.4691 22.4691 k = 0.7704-1.0289-1.8903 ( 1714 PWs) bands (ev): -2.7717 -2.7717 -2.7266 -2.7266 -0.9314 -0.9314 -0.8213 -0.8213 0.6741 0.6741 1.6247 1.6247 1.9789 1.9789 2.0866 2.0866 3.2815 3.2815 3.4356 3.4356 4.2364 4.2364 4.6345 4.6345 5.7265 5.7265 5.8711 5.8711 5.9980 5.9980 6.6653 6.6653 7.9541 7.9541 8.3657 8.3657 8.9358 8.9358 9.4609 9.4609 18.8438 18.8438 19.6249 19.6249 21.0844 21.0844 22.4584 22.4584 k = 0.7664-1.0129-1.8620 ( 1710 PWs) bands (ev): -2.9068 -2.9068 -2.8635 -2.8635 -1.0346 -1.0346 -0.9338 -0.9338 0.7783 0.7783 1.7095 1.7095 1.9046 1.9046 2.1755 2.1755 3.3882 3.3882 3.5273 3.5273 4.3284 4.3284 4.6466 4.6466 5.7222 5.7222 5.9585 5.9585 6.0928 6.0928 6.7616 6.7616 7.9300 7.9300 8.3290 8.3290 9.0047 9.0047 9.5349 9.5349 18.8592 18.8592 19.6750 19.6750 21.1264 21.1264 22.4297 22.4297 k = 0.7624-0.9968-1.8337 ( 1708 PWs) bands (ev): -3.0414 -3.0414 -2.9997 -2.9997 -1.1416 -1.1416 -1.0490 -1.0490 0.8823 0.8823 1.7567 1.7567 1.8674 1.8674 2.2700 2.2700 3.4970 3.4970 3.6251 3.6251 4.4251 4.4251 4.6418 4.6418 5.7389 5.7389 6.0497 6.0497 6.1882 6.1882 6.8597 6.8597 7.9053 7.9053 8.2884 8.2884 9.0776 9.0776 9.6089 9.6089 18.8786 18.8786 19.7262 19.7262 21.1665 21.1665 22.3836 22.3836 k = 0.7584-0.9808-1.8054 ( 1708 PWs) bands (ev): -3.1753 -3.1753 -3.1349 -3.1349 -1.2516 -1.2516 -1.1661 -1.1661 0.9859 0.9859 1.6938 1.6938 1.9406 1.9406 2.3694 2.3694 3.6072 3.6072 3.7281 3.7281 4.5257 4.5257 4.6220 4.6220 5.7755 5.7755 6.1444 6.1444 6.2840 6.2840 6.9593 6.9593 7.8807 7.8807 8.2455 8.2455 9.1529 9.1529 9.6828 9.6828 18.9017 18.9017 19.7786 19.7786 21.2029 21.2029 22.3225 22.3225 k = 0.7545-0.9648-1.7770 ( 1698 PWs) bands (ev): -3.3083 -3.3083 -3.2692 -3.2692 -1.3638 -1.3638 -1.2845 -1.2845 1.0886 1.0886 1.6025 1.6025 2.0432 2.0432 2.4732 2.4732 3.7183 3.7183 3.8357 3.8357 4.5910 4.5910 4.6300 4.6300 5.8297 5.8297 6.2421 6.2421 6.3797 6.3797 7.0598 7.0598 7.8566 7.8566 8.2014 8.2014 9.2300 9.2300 9.7569 9.7569 18.9285 18.9285 19.8321 19.8321 21.2339 21.2339 22.2498 22.2498 k = 0.7505-0.9488-1.7487 ( 1690 PWs) bands (ev): -3.4403 -3.4403 -3.4023 -3.4023 -1.4775 -1.4775 -1.4036 -1.4036 1.1899 1.1899 1.5049 1.5049 2.1534 2.1534 2.5808 2.5808 3.8292 3.8292 3.9472 3.9472 4.5535 4.5535 4.7373 4.7373 5.8980 5.8980 6.3425 6.3425 6.4745 6.4745 7.1605 7.1605 7.8337 7.8337 8.1573 8.1573 9.3080 9.3080 9.8306 9.8306 18.9586 18.9586 19.8863 19.8863 21.2571 21.2571 22.1686 22.1686 k = 0.7465-0.9327-1.7204 ( 1692 PWs) bands (ev): -3.5713 -3.5713 -3.5342 -3.5342 -1.5922 -1.5922 -1.5232 -1.5232 1.2891 1.2891 1.4044 1.4044 2.2683 2.2683 2.6917 2.6917 3.9378 3.9378 4.0621 4.0621 4.5153 4.5153 4.8473 4.8473 5.9777 5.9777 6.4451 6.4451 6.5676 6.5676 7.2604 7.2604 7.8132 7.8132 8.1143 8.1143 9.3868 9.3868 9.9041 9.9041 18.9919 18.9919 19.9409 19.9409 21.2703 21.2703 22.0816 22.0816 k = 0.7425-0.9167-1.6921 ( 1704 PWs) bands (ev): -3.7010 -3.7010 -3.6648 -3.6648 -1.7075 -1.7075 -1.6427 -1.6427 1.3021 1.3021 1.3854 1.3854 2.3869 2.3869 2.8056 2.8056 4.0393 4.0393 4.1802 4.1802 4.4840 4.4840 4.9597 4.9597 6.0660 6.0660 6.5493 6.5493 6.6581 6.6581 7.3578 7.3578 7.7962 7.7962 8.0742 8.0742 9.4658 9.4658 9.9770 9.9770 19.0279 19.0279 19.9958 19.9958 21.2711 21.2711 21.9907 21.9907 k = 0.7386-0.9007-1.6638 ( 1696 PWs) bands (ev): -3.8293 -3.8293 -3.7940 -3.7940 -1.8229 -1.8229 -1.7619 -1.7619 1.1990 1.1990 1.4780 1.4780 2.5088 2.5088 2.9223 2.9223 4.1233 4.1233 4.3011 4.3011 4.4735 4.4735 5.0743 5.0743 6.1612 6.1612 6.6539 6.6539 6.7455 6.7455 7.4502 7.4502 7.7845 7.7845 8.0402 8.0402 9.5452 9.5452 10.0496 10.0496 19.0665 19.0665 20.0507 20.0507 21.2583 21.2583 21.8976 21.8976 k = 0.7346-0.8846-1.6354 ( 1692 PWs) bands (ev): -3.9563 -3.9563 -3.9218 -3.9218 -1.9381 -1.9381 -1.8806 -1.8806 1.0954 1.0954 1.5659 1.5659 2.6336 2.6336 3.0413 3.0413 4.1726 4.1726 4.4247 4.4247 4.5029 4.5029 5.1907 5.1907 6.2618 6.2618 6.7561 6.7561 6.8304 6.8304 7.5322 7.5322 7.7803 7.7803 8.0176 8.0176 9.6246 9.6246 10.1216 10.1216 19.1075 19.1075 20.1053 20.1053 21.2319 21.2319 21.8032 21.8032 k = 0.7306-0.8686-1.6071 ( 1692 PWs) bands (ev): -4.0818 -4.0818 -4.0480 -4.0480 -2.0530 -2.0530 -1.9986 -1.9986 0.9917 0.9917 1.6479 1.6479 2.7608 2.7608 3.1623 3.1623 4.1845 4.1845 4.5506 4.5506 4.5773 4.5773 5.3088 5.3088 6.3666 6.3666 6.8473 6.8473 6.9185 6.9185 7.5946 7.5946 7.7861 7.7861 8.0158 8.0158 9.7039 9.7039 10.1930 10.1930 19.1503 19.1503 20.1590 20.1590 21.1927 21.1927 21.7082 21.7082 k = 0.7266-0.8526-1.5788 ( 1692 PWs) bands (ev): -4.2058 -4.2058 -4.1726 -4.1726 -2.1673 -2.1673 -2.1156 -2.1156 0.8882 0.8882 1.7226 1.7226 2.8904 2.8904 3.2852 3.2852 4.1773 4.1773 4.6788 4.6788 4.6800 4.6800 5.4283 5.4283 6.4747 6.4747 6.9165 6.9165 7.0183 7.0183 7.6276 7.6276 7.8048 7.8048 8.0448 8.0448 9.7828 9.7828 10.2637 10.2637 19.1946 19.1946 20.2114 20.2114 21.1431 21.1431 21.6134 21.6134 k = 0.7227-0.8366-1.5505 ( 1692 PWs) bands (ev): -4.3282 -4.3282 -4.2955 -4.2955 -2.2808 -2.2808 -2.2316 -2.2316 0.7851 0.7851 1.7887 1.7887 3.0222 3.0222 3.4095 3.4095 4.1676 4.1676 4.7969 4.7969 4.8091 4.8091 5.5488 5.5488 6.5852 6.5852 6.9641 6.9641 7.1272 7.1272 7.6305 7.6305 7.8383 7.8383 8.1058 8.1058 9.8613 9.8613 10.3336 10.3336 19.2402 19.2402 20.2619 20.2619 21.0856 21.0856 21.5191 21.5191 k = 0.7187-0.8205-1.5221 ( 1690 PWs) bands (ev): -4.4489 -4.4489 -4.4168 -4.4168 -2.3934 -2.3934 -2.3464 -2.3464 0.6827 0.6827 1.8449 1.8449 3.1560 3.1560 3.5350 3.5350 4.1638 4.1638 4.9212 4.9212 4.9413 4.9413 5.6703 5.6703 6.6974 6.6974 6.9940 6.9940 7.2405 7.2405 7.6133 7.6133 7.8876 7.8876 8.1894 8.1894 9.9393 9.9393 10.4026 10.4026 19.2865 19.2865 20.3097 20.3097 21.0230 21.0230 21.4256 21.4256 k = 0.7147-0.8045-1.4938 ( 1692 PWs) bands (ev): -4.5679 -4.5679 -4.5363 -4.5363 -2.5049 -2.5049 -2.4600 -2.4600 0.5811 0.5811 1.8899 1.8899 3.2914 3.2914 3.6611 3.6611 4.1705 4.1705 5.0500 5.0500 5.0753 5.0753 5.7922 5.7922 6.8102 6.8102 7.0094 7.0094 7.3563 7.3563 7.5861 7.5861 7.9519 7.9519 8.2861 8.2861 10.0168 10.0168 10.4708 10.4708 19.3332 19.3332 20.3537 20.3537 20.9579 20.9579 21.3333 21.3333 k = 0.7107-0.7885-1.4655 ( 1692 PWs) bands (ev): -4.6852 -4.6852 -4.6540 -4.6540 -2.6151 -2.6151 -2.5721 -2.5721 0.4805 0.4805 1.9227 1.9227 3.4285 3.4285 3.7873 3.7873 4.1906 4.1906 5.1819 5.1819 5.2110 5.2110 5.9141 5.9141 6.9220 6.9220 7.0131 7.0131 7.4737 7.4737 7.5561 7.5561 8.0291 8.0291 8.3903 8.3903 10.0935 10.0935 10.5379 10.5379 19.3799 19.3799 20.3922 20.3922 20.8929 20.8929 21.2423 21.2423 k = 0.7067-0.7724-1.4372 ( 1688 PWs) bands (ev): -4.8007 -4.8007 -4.7699 -4.7699 -2.7240 -2.7240 -2.6828 -2.6828 0.3810 0.3810 1.9430 1.9430 3.5669 3.5669 3.9127 3.9127 4.2259 4.2259 5.3162 5.3162 5.3483 5.3483 6.0354 6.0354 7.0087 7.0087 7.0300 7.0300 7.5294 7.5294 7.5925 7.5925 8.1170 8.1170 8.4989 8.4989 10.1694 10.1694 10.6040 10.6040 19.4260 19.4260 20.4225 20.4225 20.8318 20.8318 21.1528 21.1528 k = 0.7028-0.7564-1.4089 ( 1692 PWs) bands (ev): -4.9143 -4.9143 -4.8840 -4.8840 -2.8316 -2.8316 -2.7919 -2.7919 0.2827 0.2827 1.9506 1.9506 3.7065 3.7065 4.0361 4.0361 4.2779 4.2779 5.4521 5.4521 5.4870 5.4870 6.1551 6.1551 6.9996 6.9996 7.1275 7.1275 7.5142 7.5142 7.7120 7.7120 8.2131 8.2131 8.6103 8.6103 10.2444 10.2444 10.6689 10.6689 19.4712 19.4712 20.4398 20.4398 20.7796 20.7796 21.0649 21.0649 k = 0.6988-0.7404-1.3805 ( 1694 PWs) bands (ev): -5.0261 -5.0261 -4.9962 -4.9962 -2.9377 -2.9377 -2.8995 -2.8995 0.1857 0.1857 1.9463 1.9463 3.8471 3.8471 4.1561 4.1561 4.3475 4.3475 5.5894 5.5894 5.6269 5.6269 6.2717 6.2717 6.9895 6.9895 7.2013 7.2013 7.5250 7.5250 7.8324 7.8324 8.3156 8.3156 8.7235 8.7235 10.3186 10.3186 10.7326 10.7326 19.5150 19.5150 20.4380 20.4380 20.7427 20.7427 20.9788 20.9788 k = 0.6948-0.7243-1.3522 ( 1688 PWs) bands (ev): -5.1360 -5.1360 -5.1064 -5.1064 -3.0422 -3.0422 -3.0053 -3.0053 0.0901 0.0901 1.9308 1.9308 3.9883 3.9883 4.2716 4.2716 4.4346 4.4346 5.7277 5.7277 5.7678 5.7678 6.3824 6.3824 6.9828 6.9828 7.2371 7.2371 7.5769 7.5769 7.9535 7.9535 8.4232 8.4232 8.8380 8.8380 10.3918 10.3918 10.7950 10.7950 19.5573 19.5573 20.4133 20.4133 20.7252 20.7252 20.8946 20.8946 k = 0.6908-0.7083-1.3239 ( 1690 PWs) bands (ev): -5.2439 -5.2439 -5.2147 -5.2147 -3.1451 -3.1451 -3.1094 -3.1094 -0.0042 -0.0042 1.9055 1.9055 4.1298 4.1298 4.3835 4.3835 4.5367 4.5367 5.8664 5.8664 5.9095 5.9095 6.4824 6.4824 6.9859 6.9859 7.2405 7.2405 7.6653 7.6653 8.0749 8.0749 8.5346 8.5346 8.9531 8.9531 10.4639 10.4639 10.8562 10.8562 19.5973 19.5973 20.3692 20.3692 20.7237 20.7237 20.8123 20.8123 k = 0.6869-0.6923-1.2956 ( 1690 PWs) bands (ev): -5.3500 -5.3500 -5.3210 -5.3210 -3.2463 -3.2463 -3.2118 -3.2118 -0.0969 -0.0969 1.8717 1.8717 4.2712 4.2712 4.4950 4.4950 4.6490 4.6490 6.0052 6.0052 6.0515 6.0515 6.5641 6.5641 7.0076 7.0076 7.2291 7.2291 7.7738 7.7738 8.1967 8.1967 8.6489 8.6489 9.0687 9.0687 10.5350 10.5350 10.9161 10.9161 19.6349 19.6349 20.3131 20.3131 20.7304 20.7304 20.7321 20.7321 k = 0.6829-0.6763-1.2672 ( 1690 PWs) bands (ev): -5.4540 -5.4540 -5.4253 -5.4253 -3.3458 -3.3458 -3.3124 -3.3124 -0.1881 -0.1881 1.8307 1.8307 4.4121 4.4121 4.6089 4.6089 4.7666 4.7666 6.1431 6.1431 6.1927 6.1927 6.6208 6.6208 7.0567 7.0567 7.2144 7.2144 7.8920 7.8920 8.3188 8.3188 8.7655 8.7655 9.1843 9.1843 10.6049 10.6049 10.9745 10.9745 19.6697 19.6697 20.2509 20.2509 20.6539 20.6539 20.7397 20.7397 k = 0.6789-0.6602-1.2389 ( 1686 PWs) bands (ev): -5.5560 -5.5560 -5.5275 -5.5275 -3.4436 -3.4436 -3.4111 -3.4111 -0.2777 -0.2777 1.7839 1.7839 4.5518 4.5518 4.7268 4.7268 4.8857 4.8857 6.2794 6.2794 6.3310 6.3310 6.6546 6.6546 7.1341 7.1341 7.2027 7.2027 8.0156 8.0156 8.4409 8.4409 8.8842 8.8842 9.3001 9.3001 10.6737 10.6737 11.0316 11.0316 19.7015 19.7015 20.1861 20.1861 20.5779 20.5779 20.7480 20.7480 k = 0.6749-0.6442-1.2106 ( 1688 PWs) bands (ev): -5.6560 -5.6560 -5.6278 -5.6278 -3.5395 -3.5395 -3.5079 -3.5079 -0.3656 -0.3656 1.7323 1.7323 4.6895 4.6895 4.8490 4.8490 5.0041 5.0041 6.4124 6.4124 6.4587 6.4587 6.6814 6.6814 7.1985 7.1985 7.2325 7.2325 8.1422 8.1422 8.5629 8.5629 9.0042 9.0042 9.4153 9.4153 10.7413 10.7413 11.0872 11.0872 19.7301 19.7301 20.1204 20.1204 20.5040 20.5040 20.7530 20.7530 k = 0.6710-0.6282-1.1823 ( 1688 PWs) bands (ev): -5.7539 -5.7539 -5.7259 -5.7259 -3.6336 -3.6336 -3.6029 -3.6029 -0.4519 -0.4519 1.6770 1.6770 4.8242 4.8242 4.9746 4.9746 5.1201 5.1201 6.5400 6.5400 6.5517 6.5517 6.7347 6.7347 7.2063 7.2063 7.3436 7.3436 8.2710 8.2710 8.6850 8.6850 9.1253 9.1253 9.5300 9.5300 10.8079 10.8079 11.1415 11.1415 19.7553 19.7553 20.0551 20.0551 20.4323 20.4323 20.7543 20.7543 k = 0.6670-0.6121-1.1539 ( 1688 PWs) bands (ev): -5.8497 -5.8497 -5.8220 -5.8220 -3.7258 -3.7258 -3.6958 -3.6958 -0.5364 -0.5364 1.6188 1.6188 4.9545 4.9545 5.1020 5.1020 5.2332 5.2332 6.5901 6.5901 6.6590 6.6590 6.8408 6.8408 7.2311 7.2311 7.4619 7.4619 8.4010 8.4010 8.8066 8.8066 9.2472 9.2472 9.6438 9.6438 10.8734 10.8734 11.1943 11.1943 19.7771 19.7771 19.9907 19.9907 20.3630 20.3630 20.7509 20.7509 k = 0.6630-0.5961-1.1256 ( 1688 PWs) bands (ev): -5.9435 -5.9435 -5.9160 -5.9160 -3.8161 -3.8161 -3.7869 -3.7869 -0.6192 -0.6192 1.5585 1.5585 5.0786 5.0786 5.2272 5.2272 5.3448 5.3448 6.6044 6.6044 6.7662 6.7662 6.9743 6.9743 7.2780 7.2780 7.5846 7.5846 8.5321 8.5321 8.9278 8.9278 9.3696 9.3696 9.7566 9.7566 10.9378 10.9378 11.2457 11.2457 19.7955 19.7955 19.9277 19.9277 20.2959 20.2959 20.7428 20.7428 k = 0.6590-0.5801-1.0973 ( 1684 PWs) bands (ev): -6.0352 -6.0352 -6.0078 -6.0078 -3.9045 -3.9045 -3.8759 -3.8759 -0.7003 -0.7003 1.4966 1.4966 5.1945 5.1945 5.3424 5.3424 5.4606 5.4606 6.6169 6.6169 6.8604 6.8604 7.1165 7.1165 7.3503 7.3503 7.7099 7.7099 8.6639 8.6639 9.0486 9.0486 9.4924 9.4924 9.8682 9.8682 11.0014 11.0014 11.2957 11.2957 19.8105 19.8105 19.8664 19.8664 20.2312 20.2312 20.7297 20.7297 k = 0.6551-0.5641-1.0690 ( 1680 PWs) bands (ev): -6.1247 -6.1247 -6.0976 -6.0976 -3.9909 -3.9909 -3.9629 -3.9629 -0.7795 -0.7795 1.4338 1.4338 5.2994 5.2994 5.4385 5.4385 5.5872 5.5872 6.6365 6.6365 6.9447 6.9447 7.2619 7.2619 7.4462 7.4462 7.8367 7.8367 8.7962 8.7962 9.1687 9.1687 9.6153 9.6153 9.9783 9.9783 11.0640 11.0640 11.3444 11.3444 19.8070 19.8070 19.8223 19.8223 20.1688 20.1688 20.7120 20.7120 k = 0.6511-0.5480-1.0407 ( 1680 PWs) bands (ev): -6.2122 -6.2122 -6.1852 -6.1852 -4.0753 -4.0753 -4.0479 -4.0479 -0.8569 -0.8569 1.3703 1.3703 5.3907 5.3907 5.5133 5.5133 5.7250 5.7250 6.6684 6.6684 7.0255 7.0255 7.4084 7.4084 7.5607 7.5607 7.9644 7.9644 8.9288 8.9288 9.2880 9.2880 9.7381 9.7381 10.0865 10.0865 11.1260 11.1260 11.3918 11.3918 19.7495 19.7495 19.8308 19.8308 20.1087 20.1087 20.6899 20.6899 k = 0.6471-0.5320-1.0123 ( 1680 PWs) bands (ev): -6.2975 -6.2975 -6.2706 -6.2706 -4.1577 -4.1577 -4.1309 -4.1309 -0.9325 -0.9325 1.3067 1.3067 5.4659 5.4659 5.5698 5.5698 5.8700 5.8700 6.7159 6.7159 7.1092 7.1092 7.5552 7.5552 7.6878 7.6878 8.0926 8.0926 9.0617 9.0617 9.4065 9.4065 9.8607 9.8607 10.1926 10.1926 11.1874 11.1874 11.4379 11.4379 19.6944 19.6944 19.8364 19.8364 20.0511 20.0511 20.6637 20.6637 k = 0.6431-0.5160-0.9840 ( 1680 PWs) bands (ev): -6.3806 -6.3806 -6.3538 -6.3538 -4.2381 -4.2381 -4.2118 -4.2118 -1.0062 -1.0062 1.2431 1.2431 5.5237 5.5237 5.6104 5.6104 6.0196 6.0196 6.7809 6.7809 7.2001 7.2001 7.7019 7.7019 7.8231 7.8231 8.2210 8.2210 9.1946 9.1946 9.5240 9.5240 9.9827 9.9827 10.2963 10.2963 11.2484 11.2484 11.4827 11.4827 19.6414 19.6414 19.8392 19.8392 19.9958 19.9958 20.6339 20.6339 k = 0.6392-0.4999-0.9557 ( 1682 PWs) bands (ev): -6.4615 -6.4615 -6.4349 -6.4349 -4.3164 -4.3164 -4.2906 -4.2906 -1.0781 -1.0781 1.1797 1.1797 5.5642 5.5642 5.6372 5.6372 6.1725 6.1725 6.8636 6.8636 7.2999 7.2999 7.8478 7.8478 7.9634 7.9634 8.3496 8.3496 9.3275 9.3275 9.6404 9.6404 10.1040 10.1040 10.3971 10.3971 11.3093 11.3093 11.5266 11.5266 19.5909 19.5909 19.8394 19.8394 19.9429 19.9429 20.6009 20.6009 k = 0.6352-0.4839-0.9274 ( 1684 PWs) bands (ev): -6.5403 -6.5403 -6.5139 -6.5139 -4.3927 -4.3927 -4.3673 -4.3673 -1.1480 -1.1480 1.1171 1.1171 5.5889 5.5889 5.6521 5.6521 6.3277 6.3277 6.9627 6.9627 7.4091 7.4091 7.9926 7.9926 8.1068 8.1068 8.4781 8.4781 9.4602 9.4602 9.7556 9.7556 10.2245 10.2245 10.4948 10.4948 11.3703 11.3703 11.5696 11.5696 19.5427 19.5427 19.8371 19.8371 19.8924 19.8924 20.5653 20.5653 k = 0.6312-0.4679-0.8990 ( 1688 PWs) bands (ev): -6.6169 -6.6169 -6.5906 -6.5906 -4.4669 -4.4669 -4.4419 -4.4419 -1.2160 -1.2160 1.0552 1.0552 5.6002 5.6002 5.6571 5.6571 6.4847 6.4847 7.0758 7.0758 7.5268 7.5268 8.1359 8.1359 8.2522 8.2522 8.6067 8.6067 9.5926 9.5926 9.8695 9.8695 10.3437 10.3437 10.5889 10.5889 11.4317 11.4317 11.6117 11.6117 19.4970 19.4970 19.8316 19.8316 19.8455 19.8455 20.5276 20.5276 k = 0.6272-0.4519-0.8707 ( 1688 PWs) bands (ev): -6.6912 -6.6912 -6.6650 -6.6650 -4.5389 -4.5389 -4.5144 -4.5144 -1.2821 -1.2821 0.9942 0.9942 5.6010 5.6010 5.6541 5.6541 6.6432 6.6432 7.2004 7.2004 7.6521 7.6521 8.2773 8.2773 8.3984 8.3984 8.7349 8.7349 9.7247 9.7247 9.9819 9.9819 10.4616 10.4616 10.6792 10.6792 11.4938 11.4938 11.6533 11.6533 19.4539 19.4539 19.7972 19.7972 19.8279 19.8279 20.4881 20.4881 k = 0.6233-0.4358-0.8424 ( 1690 PWs) bands (ev): -6.7634 -6.7634 -6.7373 -6.7373 -4.6089 -4.6089 -4.5847 -4.5847 -1.3463 -1.3463 0.9343 0.9343 5.5936 5.5936 5.6447 5.6447 6.8028 6.8028 7.3338 7.3338 7.7838 7.7838 8.4164 8.4164 8.5449 8.5449 8.8631 8.8631 9.8563 9.8563 10.0927 10.0927 10.5779 10.5779 10.7651 10.7651 11.5568 11.5568 11.6944 11.6944 19.4133 19.4133 19.7541 19.7541 19.8197 19.8197 20.4472 20.4472 k = 0.6193-0.4198-0.8141 ( 1690 PWs) bands (ev): -6.8334 -6.8334 -6.8074 -6.8074 -4.6768 -4.6768 -4.6529 -4.6529 -1.4085 -1.4085 0.8756 0.8756 5.5800 5.5800 5.6302 5.6302 6.9632 6.9632 7.4740 7.4740 7.9206 7.9206 8.5528 8.5528 8.6912 8.6912 8.9910 8.9910 9.9875 9.9875 10.2017 10.2017 10.6924 10.6924 10.8464 10.8464 11.6209 11.6209 11.7354 11.7354 19.3754 19.3754 19.7131 19.7131 19.8102 19.8102 20.4055 20.4055 k = 0.6153-0.4038-0.7857 ( 1694 PWs) bands (ev): -6.9011 -6.9011 -6.8752 -6.8752 -4.7425 -4.7425 -4.7190 -4.7190 -1.4688 -1.4688 0.8182 0.8182 5.5619 5.5619 5.6119 5.6119 7.1241 7.1241 7.6192 7.6192 8.0616 8.0616 8.6862 8.6862 8.8366 8.8366 9.1186 9.1186 10.1179 10.1179 10.3088 10.3088 10.8047 10.8047 10.9228 10.9228 11.6863 11.6863 11.7763 11.7763 19.3400 19.3400 19.6743 19.6743 19.7993 19.7993 20.3631 20.3631 k = 0.6113-0.3877-0.7574 ( 1688 PWs) bands (ev): -6.9665 -6.9665 -6.9408 -6.9408 -4.8061 -4.8061 -4.7829 -4.7829 -1.5270 -1.5270 0.7622 0.7622 5.5406 5.5406 5.5907 5.5907 7.2855 7.2855 7.7682 7.7682 8.2058 8.2058 8.8161 8.8161 8.9808 8.9808 9.2458 9.2458 10.2476 10.2476 10.4139 10.4139 10.9149 10.9149 10.9944 10.9944 11.7532 11.7532 11.8179 11.8179 19.3073 19.3073 19.6379 19.6379 19.7871 19.7871 20.3205 20.3205 k = 0.6073-0.3717-0.7291 ( 1688 PWs) bands (ev): -7.0298 -7.0298 -7.0041 -7.0041 -4.8675 -4.8675 -4.8446 -4.8446 -1.5833 -1.5833 0.7077 0.7077 5.5171 5.5171 5.5674 5.5674 7.4467 7.4467 7.9198 7.9198 8.3524 8.3524 8.9424 8.9424 9.1234 9.1234 9.3725 9.3725 10.3763 10.3763 10.5167 10.5167 11.0222 11.0222 11.0613 11.0613 11.8213 11.8213 11.8601 11.8601 19.2772 19.2772 19.6037 19.6037 19.7738 19.7738 20.2775 20.2775 k = 0.6034-0.3557-0.7008 ( 1686 PWs) bands (ev): -7.0907 -7.0907 -7.0651 -7.0651 -4.9267 -4.9267 -4.9041 -4.9041 -1.6376 -1.6376 0.6547 0.6547 5.4919 5.4919 5.5426 5.5426 7.6077 7.6077 8.0731 8.0731 8.5009 8.5009 9.0648 9.0648 9.2639 9.2639 9.4984 9.4984 10.5039 10.5039 10.6169 10.6169 11.1225 11.1225 11.1275 11.1275 11.8905 11.8905 11.9036 11.9036 19.2498 19.2498 19.5717 19.5717 19.7594 19.7594 20.2346 20.2346 k = 0.5994-0.3396-0.6725 ( 1688 PWs) bands (ev): -7.1495 -7.1495 -7.1239 -7.1239 -4.9838 -4.9838 -4.9614 -4.9614 -1.6900 -1.6900 0.6033 0.6033 5.4658 5.4658 5.5170 5.5170 7.7680 7.7680 8.2273 8.2273 8.6505 8.6505 9.1831 9.1831 9.4019 9.4019 9.6231 9.6231 10.6300 10.6300 10.7142 10.7142 11.1810 11.1810 11.2284 11.2284 11.9484 11.9484 11.9607 11.9607 19.2249 19.2249 19.5419 19.5419 19.7440 19.7440 20.1918 20.1918 k = 0.5954-0.3236-0.6441 ( 1690 PWs) bands (ev): -7.2060 -7.2060 -7.1805 -7.1805 -5.0387 -5.0387 -5.0166 -5.0166 -1.7403 -1.7403 0.5537 0.5537 5.4392 5.4392 5.4906 5.4906 7.9276 7.9276 8.3817 8.3817 8.8006 8.8006 9.2973 9.2973 9.5370 9.5370 9.7463 9.7463 10.7545 10.7545 10.8084 10.8084 11.2352 11.2352 11.3266 11.3266 11.9954 11.9954 12.0313 12.0313 19.2027 19.2027 19.5142 19.5142 19.7276 19.7276 20.1492 20.1492 k = 0.5914-0.3076-0.6158 ( 1688 PWs) bands (ev): -7.2602 -7.2602 -7.2348 -7.2348 -5.0915 -5.0915 -5.0695 -5.0695 -1.7886 -1.7886 0.5057 0.5057 5.4124 5.4124 5.4641 5.4641 8.0861 8.0861 8.5357 8.5357 8.9509 8.9509 9.4075 9.4075 9.6690 9.6690 9.8675 9.8675 10.8762 10.8762 10.8988 10.8988 11.2868 11.2868 11.4218 11.4218 12.0446 12.0446 12.1020 12.1020 19.1831 19.1831 19.4886 19.4886 19.7103 19.7103 20.1071 20.1071 k = 0.5875-0.2916-0.5875 ( 1678 PWs) bands (ev): -7.3121 -7.3121 -7.2867 -7.2867 -5.1420 -5.1420 -5.1202 -5.1202 -1.8349 -1.8349 0.4596 0.4596 5.3857 5.3857 5.4376 5.4376 8.2434 8.2434 8.6887 8.6887 9.1008 9.1008 9.5138 9.5138 9.7972 9.7972 9.9861 9.9861 10.9848 10.9848 10.9945 10.9945 11.3375 11.3375 11.5141 11.5141 12.0964 12.0964 12.1724 12.1724 19.1662 19.1662 19.4651 19.4651 19.6921 19.6921 20.0653 20.0653 k = 0.5835-0.2755-0.5592 ( 1682 PWs) bands (ev): -7.3617 -7.3617 -7.3364 -7.3364 -5.1903 -5.1903 -5.1687 -5.1687 -1.8792 -1.8792 0.4153 0.4153 5.3593 5.3593 5.4114 5.4114 8.3987 8.3987 8.8398 8.8398 9.2497 9.2497 9.6162 9.6162 9.9212 9.9212 10.1016 10.1016 11.0663 11.0663 11.1057 11.1057 11.3899 11.3899 11.6038 11.6038 12.1506 12.1506 12.2419 12.2419 19.1517 19.1517 19.4435 19.4435 19.6729 19.6729 20.0239 20.0239 k = 0.5795-0.2595-0.5308 ( 1682 PWs) bands (ev): -7.4091 -7.4091 -7.3839 -7.3839 -5.2364 -5.2364 -5.2150 -5.2150 -1.9214 -1.9214 0.3728 0.3728 5.3334 5.3334 5.3856 5.3856 8.5519 8.5519 8.9886 8.9886 9.3971 9.3971 9.7150 9.7150 10.0407 10.0407 10.2134 10.2134 11.1423 11.1423 11.2059 11.2059 11.4490 11.4490 11.6915 11.6915 12.2072 12.2072 12.3101 12.3101 19.1396 19.1396 19.4239 19.4239 19.6529 19.6529 19.9831 19.9831 k = 0.5755-0.2435-0.5025 ( 1680 PWs) bands (ev): -7.4542 -7.4542 -7.4290 -7.4290 -5.2802 -5.2802 -5.2591 -5.2591 -1.9616 -1.9616 0.3323 0.3323 5.3082 5.3082 5.3604 5.3604 8.7026 8.7026 9.1342 9.1342 9.5428 9.5428 9.8106 9.8106 10.1554 10.1554 10.3212 10.3212 11.2124 11.2124 11.2888 11.2888 11.5212 11.5212 11.7780 11.7780 12.2658 12.2658 12.3768 12.3768 19.1299 19.1299 19.4061 19.4061 19.6319 19.6319 19.9426 19.9426 k = 0.5716-0.2274-0.4742 ( 1684 PWs) bands (ev): -7.4970 -7.4970 -7.4719 -7.4719 -5.3219 -5.3219 -5.3009 -5.3009 -1.9998 -1.9998 0.2936 0.2936 5.2838 5.2838 5.3360 5.3360 8.8505 8.8505 9.2758 9.2758 9.6861 9.6861 9.9032 9.9032 10.2649 10.2649 10.4242 10.4242 11.2761 11.2761 11.3516 11.3516 11.6092 11.6092 11.8638 11.8638 12.3259 12.3259 12.4414 12.4414 19.1225 19.1225 19.3899 19.3899 19.6101 19.6101 19.9026 19.9026 k = 0.5676-0.2114-0.4459 ( 1686 PWs) bands (ev): -7.5375 -7.5375 -7.5124 -7.5124 -5.3614 -5.3614 -5.3405 -5.3405 -2.0359 -2.0359 0.2569 0.2569 5.2602 5.2602 5.3125 5.3125 8.9952 8.9952 9.4126 9.4126 9.8267 9.8267 9.9935 9.9935 10.3689 10.3689 10.5222 10.5222 11.3335 11.3335 11.3980 11.3980 11.7092 11.7092 11.9495 11.9495 12.3866 12.3866 12.5035 12.5035 19.1174 19.1174 19.3755 19.3755 19.5873 19.5873 19.8629 19.8629 k = 0.5636-0.1954-0.4175 ( 1682 PWs) bands (ev): -7.5757 -7.5757 -7.5506 -7.5506 -5.3986 -5.3986 -5.3778 -5.3778 -2.0700 -2.0700 0.2222 0.2222 5.2377 5.2377 5.2900 5.2900 9.1362 9.1362 9.5433 9.5433 9.9639 9.9639 10.0820 10.0820 10.4672 10.4672 10.6149 10.6149 11.3845 11.3845 11.4342 11.4342 11.8156 11.8156 12.0354 12.0354 12.4474 12.4474 12.5630 12.5630 19.1145 19.1145 19.3626 19.3626 19.5638 19.5638 19.8235 19.8235 k = 0.5596-0.1794-0.3892 ( 1684 PWs) bands (ev): -7.6116 -7.6116 -7.5866 -7.5866 -5.4335 -5.4335 -5.4129 -5.4129 -2.1020 -2.1020 0.1896 0.1896 5.2163 5.2163 5.2685 5.2685 9.2731 9.2731 9.6669 9.6669 10.0972 10.0972 10.1693 10.1693 10.5595 10.5595 10.7019 10.7019 11.4294 11.4294 11.4636 11.4636 11.9239 11.9239 12.1215 12.1215 12.5073 12.5073 12.6195 12.6195 19.1135 19.1135 19.3512 19.3512 19.5395 19.5395 19.7844 19.7844 k = 0.5557-0.1633-0.3609 ( 1684 PWs) bands (ev): -7.6452 -7.6452 -7.6202 -7.6202 -5.4663 -5.4663 -5.4458 -5.4458 -2.1320 -2.1320 0.1589 0.1589 5.1959 5.1959 5.2481 5.2481 9.4053 9.4053 9.7821 9.7821 10.2261 10.2261 10.2562 10.2562 10.6457 10.6457 10.7830 10.7830 11.4687 11.4687 11.4887 11.4887 12.0321 12.0321 12.2075 12.2075 12.5657 12.5657 12.6727 12.6727 19.1143 19.1143 19.3411 19.3411 19.5144 19.5144 19.7454 19.7454 k = 0.5517-0.1473-0.3326 ( 1690 PWs) bands (ev): -7.6764 -7.6764 -7.6516 -7.6516 -5.4968 -5.4968 -5.4764 -5.4764 -2.1599 -2.1599 0.1302 0.1302 5.1768 5.1768 5.2289 5.2289 9.5324 9.5324 9.8876 9.8876 10.3431 10.3431 10.3498 10.3498 10.7256 10.7256 10.8580 10.8580 11.5030 11.5030 11.5105 11.5105 12.1384 12.1384 12.2929 12.2929 12.6219 12.6219 12.7226 12.7226 19.1169 19.1169 19.3320 19.3320 19.4889 19.4889 19.7064 19.7064 k = 0.5477-0.1313-0.3043 ( 1690 PWs) bands (ev): -7.7054 -7.7054 -7.6806 -7.6806 -5.5250 -5.5250 -5.5047 -5.5047 -2.1858 -2.1858 0.1037 0.1037 5.1590 5.1590 5.2109 5.2109 9.6539 9.6539 9.9828 9.9828 10.4306 10.4306 10.4678 10.4678 10.7993 10.7993 10.9270 10.9270 11.5297 11.5297 11.5326 11.5326 12.2419 12.2419 12.3768 12.3768 12.6754 12.6754 12.7687 12.7687 19.1210 19.1210 19.3239 19.3239 19.4631 19.4631 19.6675 19.6675 k = 0.5437-0.1152-0.2759 ( 1686 PWs) bands (ev): -7.7321 -7.7321 -7.7073 -7.7073 -5.5510 -5.5510 -5.5308 -5.5308 -2.2096 -2.2096 0.0792 0.0792 5.1424 5.1424 5.1943 5.1943 9.7692 9.7692 10.0673 10.0673 10.5182 10.5182 10.5793 10.5793 10.8670 10.8670 10.9900 10.9900 11.5469 11.5469 11.5583 11.5583 12.3414 12.3414 12.4586 12.4586 12.7256 12.7256 12.8110 12.8110 19.1265 19.1265 19.3162 19.3162 19.4375 19.4375 19.6286 19.6286 k = 0.5398-0.0992-0.2476 ( 1688 PWs) bands (ev): -7.7565 -7.7565 -7.7317 -7.7317 -5.5747 -5.5747 -5.5546 -5.5546 -2.2314 -2.2314 0.0567 0.0567 5.1272 5.1272 5.1789 5.1789 9.8776 9.8776 10.1412 10.1412 10.6049 10.6049 10.6832 10.6832 10.9287 10.9287 11.0468 11.0468 11.5622 11.5622 11.5804 11.5804 12.4362 12.4362 12.5372 12.5372 12.7722 12.7722 12.8494 12.8494 19.1330 19.1330 19.3086 19.3086 19.4128 19.4128 19.5898 19.5898 k = 0.5358-0.0832-0.2193 ( 1692 PWs) bands (ev): -7.7785 -7.7785 -7.7537 -7.7537 -5.5962 -5.5962 -5.5762 -5.5762 -2.2511 -2.2511 0.0364 0.0364 5.1133 5.1133 5.1649 5.1649 9.9787 9.9787 10.2052 10.2052 10.6897 10.6897 10.7785 10.7785 10.9851 10.9851 11.0974 11.0974 11.5760 11.5760 11.5995 11.5995 12.5254 12.5254 12.6118 12.6118 12.8149 12.8149 12.8837 12.8837 19.1404 19.1404 19.3001 19.3001 19.3899 19.3899 19.5514 19.5514 k = 0.5318-0.0671-0.1910 ( 1690 PWs) bands (ev): -7.7982 -7.7982 -7.7735 -7.7735 -5.6155 -5.6155 -5.5955 -5.5955 -2.2687 -2.2687 0.0182 0.0182 5.1008 5.1008 5.1524 5.1524 10.0717 10.0717 10.2602 10.2602 10.7708 10.7708 10.8638 10.8638 11.0368 11.0368 11.1420 11.1420 11.5883 11.5883 11.6157 11.6157 12.6084 12.6084 12.6815 12.6815 12.8535 12.8535 12.9139 12.9139 19.1484 19.1484 19.2899 19.2899 19.3703 19.3703 19.5138 19.5138 k = 0.5278-0.0511-0.1626 ( 1692 PWs) bands (ev): -7.8157 -7.8157 -7.7909 -7.7909 -5.6324 -5.6324 -5.6125 -5.6125 -2.2843 -2.2843 0.0021 0.0021 5.0897 5.0897 5.1412 5.1412 10.1561 10.1561 10.3071 10.3071 10.8468 10.8468 10.9374 10.9374 11.0851 11.0851 11.1805 11.1805 11.5992 11.5992 11.6295 11.6295 12.6842 12.6842 12.7453 12.7453 12.8878 12.8878 12.9400 12.9400 19.1567 19.1567 19.2769 19.2769 19.3552 19.3552 19.4774 19.4774 k = 0.5239-0.0351-0.1343 ( 1692 PWs) bands (ev): -7.8308 -7.8308 -7.8060 -7.8060 -5.6472 -5.6472 -5.6273 -5.6273 -2.2977 -2.2977 -0.0119 -0.0119 5.0800 5.0800 5.1315 5.1315 10.2311 10.2311 10.3464 10.3464 10.9163 10.9163 10.9979 10.9979 11.1309 11.1309 11.2132 11.2132 11.6088 11.6088 11.6411 11.6411 12.7521 12.7521 12.8023 12.8023 12.9179 12.9179 12.9619 12.9619 19.1650 19.1650 19.2614 19.2614 19.3448 19.3448 19.4430 19.4430 k = 0.5199-0.0191-0.1060 ( 1690 PWs) bands (ev): -7.8435 -7.8435 -7.8188 -7.8188 -5.6596 -5.6596 -5.6398 -5.6398 -2.3091 -2.3091 -0.0237 -0.0237 5.0719 5.0719 5.1232 5.1232 10.2960 10.2960 10.3789 10.3789 10.9780 10.9780 11.0448 11.0448 11.1746 11.1746 11.2400 11.2400 11.6171 11.6171 11.6506 11.6506 12.8116 12.8116 12.8515 12.8515 12.9438 12.9438 12.9797 12.9797 19.1730 19.1730 19.2449 19.2449 19.3382 19.3382 19.4116 19.4116 k = 0.5159-0.0030-0.0777 ( 1690 PWs) bands (ev): -7.8540 -7.8540 -7.8293 -7.8293 -5.6698 -5.6698 -5.6500 -5.6500 -2.3185 -2.3185 -0.0333 -0.0333 5.0652 5.0652 5.1165 5.1165 10.3503 10.3503 10.4051 10.4051 11.0306 11.0306 11.0792 11.0792 11.2145 11.2145 11.2612 11.2612 11.6239 11.6239 11.6582 11.6582 12.8621 12.8621 12.8922 12.8922 12.9655 12.9655 12.9932 12.9932 19.1802 19.1802 19.2292 19.2292 19.3341 19.3341 19.3841 19.3841 k = 0.5119 0.0130-0.0494 ( 1694 PWs) bands (ev): -7.8621 -7.8621 -7.8374 -7.8374 -5.6777 -5.6777 -5.6580 -5.6580 -2.3257 -2.3257 -0.0409 -0.0409 5.0599 5.0599 5.1112 5.1112 10.3931 10.3931 10.4252 10.4252 11.0730 11.0730 11.1035 11.1035 11.2479 11.2479 11.2770 11.2770 11.6293 11.6293 11.6640 11.6640 12.9031 12.9031 12.9239 12.9239 12.9830 12.9830 13.0025 13.0025 19.1863 19.1863 19.2157 19.2157 19.3315 19.3315 19.3615 19.3615 k = 0.5080 0.0290-0.0210 ( 1694 PWs) bands (ev): -7.8679 -7.8679 -7.8432 -7.8432 -5.6834 -5.6834 -5.6637 -5.6637 -2.3309 -2.3309 -0.0463 -0.0463 5.0562 5.0562 5.1074 5.1074 10.4237 10.4237 10.4399 10.4399 11.1039 11.1039 11.1200 11.1200 11.2728 11.2728 11.2882 11.2882 11.6332 11.6332 11.6681 11.6681 12.9337 12.9337 12.9464 12.9464 12.9959 12.9959 13.0081 13.0081 19.1906 19.1906 19.2059 19.2059 19.3295 19.3295 19.3450 19.3450 k = 0.5040 0.0451 0.0073 ( 1696 PWs) bands (ev): -7.8714 -7.8714 -7.8467 -7.8467 -5.6868 -5.6868 -5.6671 -5.6671 -2.3340 -2.3340 -0.0495 -0.0495 5.0539 5.0539 5.1051 5.1051 10.4411 10.4411 10.4498 10.4498 11.1218 11.1218 11.1306 11.1306 11.2869 11.2869 11.2958 11.2958 11.6355 11.6355 11.6705 11.6705 12.9523 12.9523 12.9610 12.9610 13.0027 13.0027 13.0114 13.0114 19.1922 19.1922 19.2009 19.2009 19.3272 19.3272 19.3360 19.3360 k = 0.5000 0.0611 0.0356 ( 1696 PWs) bands (ev): -7.8726 -7.8726 -7.8479 -7.8479 -5.6879 -5.6879 -5.6682 -5.6682 -2.3351 -2.3351 -0.0506 -0.0506 5.0531 5.0531 5.1044 5.1044 10.4461 10.4461 10.4540 10.4540 11.1269 11.1269 11.1350 11.1350 11.2909 11.2909 11.2992 11.2992 11.6363 11.6363 11.6713 11.6713 12.9581 12.9581 12.9669 12.9669 13.0040 13.0040 13.0129 13.0129 19.1920 19.1920 19.2001 19.2001 19.3256 19.3256 19.3338 19.3338 k = 0.5000 0.0611 0.0356 ( 1696 PWs) bands (ev): -7.8726 -7.8726 -7.8479 -7.8479 -5.6879 -5.6879 -5.6682 -5.6682 -2.3351 -2.3351 -0.0506 -0.0506 5.0531 5.0531 5.1044 5.1044 10.4461 10.4461 10.4540 10.4540 11.1269 11.1269 11.1350 11.1350 11.2909 11.2909 11.2992 11.2992 11.6363 11.6363 11.6713 11.6713 12.9581 12.9581 12.9669 12.9669 13.0040 13.0040 13.0129 13.0129 19.1920 19.1920 19.2001 19.2001 19.3256 19.3256 19.3338 19.3338 k = 0.4688 0.0573 0.0334 ( 1696 PWs) bands (ev): -7.8958 -7.8958 -7.8225 -7.8225 -5.7780 -5.7780 -5.5763 -5.5763 -2.3464 -2.3464 -0.0375 -0.0375 4.8694 4.8694 5.2891 5.2891 10.4468 10.4468 10.4548 10.4548 11.1158 11.1158 11.1240 11.1240 11.3031 11.3031 11.3113 11.3113 11.4784 11.4784 11.8239 11.8239 12.9249 12.9249 12.9337 12.9337 13.0355 13.0355 13.0444 13.0444 19.1702 19.1702 19.1783 19.1783 19.3493 19.3493 19.3575 19.3575 k = 0.4375 0.0534 0.0312 ( 1693 PWs) bands (ev): -7.9261 -7.9261 -7.7857 -7.7857 -5.8754 -5.8754 -5.4733 -5.4733 -2.3794 -2.3794 0.0009 0.0009 4.6634 4.6634 5.4981 5.4981 10.4490 10.4490 10.4570 10.4570 11.0891 11.0891 11.0973 11.0973 11.2995 11.2995 11.3332 11.3332 11.3414 11.3414 11.9867 11.9867 12.8747 12.8747 12.8835 12.8835 13.0808 13.0808 13.0897 13.0897 19.1259 19.1259 19.1340 19.1340 19.3990 19.3990 19.4072 19.4072 k = 0.4062 0.0496 0.0289 ( 1690 PWs) bands (ev): -7.9549 -7.9549 -7.7462 -7.7462 -5.9709 -5.9709 -5.3684 -5.3684 -2.4321 -2.4321 0.0627 0.0627 4.4582 4.4582 5.7085 5.7085 10.4528 10.4528 10.4608 10.4608 11.0557 11.0557 11.0639 11.0639 11.1159 11.1159 11.3723 11.3723 11.3806 11.3806 12.1433 12.1433 12.8216 12.8216 12.8304 12.8304 13.1255 13.1255 13.1344 13.1344 19.0770 19.0770 19.0852 19.0852 19.4571 19.4571 19.4653 19.4653 k = 0.3750 0.0458 0.0267 ( 1690 PWs) bands (ev): -7.9818 -7.9818 -7.7043 -7.7043 -6.0646 -6.0646 -5.2616 -5.2616 -2.5018 -2.5018 0.1449 0.1449 4.2540 4.2540 5.9197 5.9197 10.4580 10.4580 10.4660 10.4660 10.9282 10.9282 11.0199 11.0199 11.0280 11.0280 11.4162 11.4162 11.4244 11.4244 12.2929 12.2929 12.7670 12.7670 12.7757 12.7757 13.1683 13.1683 13.1772 13.1772 19.0284 19.0284 19.0365 19.0365 19.5187 19.5187 19.5269 19.5269 k = 0.3438 0.0420 0.0245 ( 1690 PWs) bands (ev): -8.0065 -8.0065 -7.6603 -7.6603 -6.1564 -6.1564 -5.1532 -5.1532 -2.5854 -2.5854 0.2446 0.2446 4.0511 4.0511 6.1316 6.1316 10.4647 10.4647 10.4727 10.4727 10.7370 10.7370 10.9835 10.9835 10.9916 10.9916 11.4628 11.4628 11.4711 11.4711 12.4347 12.4347 12.7113 12.7113 12.7200 12.7200 13.2088 13.2088 13.2178 13.2178 18.9815 18.9815 18.9896 18.9896 19.5745 19.5745 19.5821 19.5821 k = 0.3125 0.0382 0.0223 ( 1690 PWs) bands (ev): -8.0292 -8.0292 -7.6140 -7.6140 -6.2461 -6.2461 -5.0430 -5.0430 -2.6800 -2.6800 0.3590 0.3590 3.8495 3.8495 6.3442 6.3442 10.4730 10.4730 10.4809 10.4809 10.5425 10.5425 10.9474 10.9474 10.9555 10.9555 11.5114 11.5114 11.5197 11.5197 12.5680 12.5680 12.6547 12.6547 12.6634 12.6634 13.2468 13.2468 13.2557 13.2557 18.9373 18.9373 18.9453 18.9453 19.5107 19.5107 19.6462 19.6462 k = 0.2812 0.0344 0.0200 ( 1690 PWs) bands (ev): -8.0497 -8.0497 -7.5657 -7.5657 -6.3339 -6.3339 -4.9311 -4.9311 -2.7831 -2.7831 0.4854 0.4854 3.6495 3.6495 6.5573 6.5573 10.3451 10.3451 10.4826 10.4826 10.4906 10.4906 10.9120 10.9120 10.9201 10.9201 11.5615 11.5615 11.5698 11.5698 12.5974 12.5974 12.6061 12.6061 12.6921 12.6921 13.2819 13.2819 13.2909 13.2909 18.8961 18.8961 18.9042 18.9042 19.4494 19.4494 19.7106 19.7106 k = 0.2500 0.0305 0.0178 ( 1684 PWs) bands (ev): -8.0680 -8.0680 -7.5152 -7.5152 -6.4197 -6.4197 -4.8176 -4.8176 -2.8927 -2.8927 0.6221 0.6221 3.4511 3.4511 6.7708 6.7708 10.1451 10.1451 10.4938 10.4938 10.5018 10.5018 10.8776 10.8776 10.8857 10.8857 11.6129 11.6129 11.6212 11.6212 12.5397 12.5397 12.5483 12.5483 12.8061 12.8061 13.3140 13.3140 13.3230 13.3230 18.8585 18.8585 18.8665 18.8665 19.3916 19.3916 19.7746 19.7746 k = 0.2188 0.0267 0.0156 ( 1687 PWs) bands (ev): -8.0842 -8.0842 -7.4626 -7.4626 -6.5035 -6.5035 -4.7026 -4.7026 -3.0072 -3.0072 0.7669 0.7669 3.2543 3.2543 6.9847 6.9847 9.9428 9.9428 10.5063 10.5063 10.5143 10.5143 10.8444 10.8444 10.8525 10.8525 11.6649 11.6649 11.6732 11.6732 12.4816 12.4816 12.4903 12.4903 12.9095 12.9095 13.3428 13.3428 13.3518 13.3518 18.8246 18.8246 18.8326 18.8326 19.3381 19.3381 19.8375 19.8376 k = 0.1875 0.0229 0.0134 ( 1684 PWs) bands (ev): -8.0983 -8.0983 -7.4079 -7.4079 -6.5852 -6.5852 -4.5861 -4.5861 -3.1251 -3.1251 0.9189 0.9189 3.0593 3.0593 7.1987 7.1987 9.7385 9.7385 10.5203 10.5203 10.5283 10.5283 10.8124 10.8124 10.8205 10.8205 11.7181 11.7181 11.7265 11.7265 12.4235 12.4235 12.4321 12.4321 13.0009 13.0009 13.3682 13.3682 13.3772 13.3772 18.7948 18.7948 18.8028 18.8028 19.2897 19.2897 19.8987 19.8987 k = 0.1562 0.0191 0.0111 ( 1683 PWs) bands (ev): -8.1101 -8.1101 -7.3511 -7.3511 -6.6649 -6.6649 -4.4682 -4.4682 -3.2456 -3.2456 1.0768 1.0768 2.8662 2.8662 7.4128 7.4128 9.5324 9.5324 10.5355 10.5355 10.5435 10.5435 10.7818 10.7818 10.7899 10.7899 11.7718 11.7718 11.7802 11.7802 12.3655 12.3655 12.3741 12.3741 13.0799 13.0799 13.3901 13.3901 13.3990 13.3990 18.7691 18.7691 18.7771 18.7771 19.2473 19.2473 19.9569 19.9570 k = 0.1250 0.0153 0.0089 ( 1683 PWs) bands (ev): -8.1199 -8.1199 -7.2923 -7.2923 -6.7424 -6.7424 -4.3490 -4.3490 -3.3677 -3.3677 1.2400 1.2400 2.6751 2.6751 7.6268 7.6268 9.3247 9.3247 10.5518 10.5518 10.5598 10.5598 10.7529 10.7529 10.7609 10.7609 11.8258 11.8258 11.8342 11.8342 12.3079 12.3079 12.3165 12.3165 13.1457 13.1457 13.4081 13.4081 13.4171 13.4171 18.7478 18.7478 18.7558 18.7558 19.2113 19.2113 20.0109 20.0109 k = 0.0938 0.0115 0.0067 ( 1674 PWs) bands (ev): -8.1274 -8.1274 -7.2315 -7.2315 -6.8177 -6.8177 -4.2287 -4.2287 -3.4908 -3.4908 1.4077 1.4077 2.4862 2.4862 7.8408 7.8408 9.1156 9.1156 10.5690 10.5690 10.5770 10.5770 10.7258 10.7258 10.7339 10.7339 11.8799 11.8799 11.8883 11.8883 12.2515 12.2515 12.2601 12.2601 13.1973 13.1973 13.4223 13.4223 13.4312 13.4312 18.7311 18.7311 18.7391 18.7391 19.1825 19.1825 20.0583 20.0584 k = 0.0625 0.0076 0.0045 ( 1683 PWs) bands (ev): -8.1328 -8.1328 -7.1689 -7.1689 -6.8907 -6.8907 -4.1073 -4.1073 -3.6146 -3.6146 1.5794 1.5794 2.2990 2.2990 8.0542 8.0542 8.9054 8.9054 10.5863 10.5863 10.5943 10.5943 10.7014 10.7014 10.7094 10.7094 11.9318 11.9318 11.9402 11.9402 12.1975 12.1975 12.2060 12.2060 13.2348 13.2348 13.4325 13.4325 13.4414 13.4414 18.7191 18.7191 18.7271 18.7271 19.1616 19.1616 20.0964 20.0965 k = 0.0312 0.0038 0.0022 ( 1683 PWs) bands (ev): -8.1361 -8.1361 -7.1057 -7.1057 -6.9602 -6.9602 -3.9849 -3.9849 -3.7383 -3.7383 1.7545 1.7545 2.1150 2.1150 8.2669 8.2669 8.6948 8.6948 10.6017 10.6017 10.6097 10.6097 10.6818 10.6818 10.6898 10.6898 11.9776 11.9776 11.9860 11.9860 12.1505 12.1505 12.1590 12.1590 13.2574 13.2574 13.4387 13.4387 13.4476 13.4476 18.7118 18.7118 18.7198 18.7198 19.1489 19.1489 20.1216 20.1217 k = 0.0000 0.0000 0.0000 ( 1683 PWs) bands (ev): -8.1372 -8.1372 -7.0586 -7.0586 -7.0094 -7.0094 -3.8636 -3.8636 -3.8601 -3.8601 1.9238 1.9238 1.9428 1.9428 8.4559 8.4559 8.5064 8.5064 10.6089 10.6089 10.6169 10.6169 10.6732 10.6732 10.6812 10.6812 12.0000 12.0000 12.0084 12.0084 12.1277 12.1277 12.1363 12.1363 13.2650 13.2650 13.4407 13.4407 13.4496 13.4496 18.7094 18.7094 18.7174 18.7174 19.1446 19.1446 20.1305 20.1306 k = 0.0000 0.0000 0.0000 ( 1683 PWs) bands (ev): -8.1372 -8.1372 -7.0586 -7.0586 -7.0094 -7.0094 -3.8636 -3.8636 -3.8601 -3.8601 1.9238 1.9238 1.9428 1.9428 8.4559 8.4559 8.5064 8.5064 10.6089 10.6089 10.6169 10.6169 10.6732 10.6732 10.6812 10.6812 12.0000 12.0000 12.0084 12.0084 12.1277 12.1277 12.1363 12.1363 13.2650 13.2650 13.4407 13.4407 13.4496 13.4496 18.7094 18.7094 18.7174 18.7174 19.1446 19.1446 20.1305 20.1306 k = 0.0040-0.0161-0.0284 ( 1683 PWs) bands (ev): -8.1360 -8.1360 -7.0574 -7.0574 -7.0082 -7.0082 -3.8625 -3.8625 -3.8590 -3.8590 1.9247 1.9247 1.9438 1.9438 8.4562 8.4562 8.5067 8.5067 10.6036 10.6036 10.6123 10.6123 10.6688 10.6688 10.6775 10.6775 11.9946 11.9946 12.0036 12.0036 12.1248 12.1248 12.1337 12.1337 13.2629 13.2629 13.4368 13.4368 13.4463 13.4463 18.7117 18.7117 18.7198 18.7198 19.1472 19.1472 20.1315 20.1315 k = 0.0080-0.0322-0.0568 ( 1683 PWs) bands (ev): -8.1325 -8.1325 -7.0539 -7.0539 -7.0047 -7.0047 -3.8592 -3.8592 -3.8557 -3.8557 1.9276 1.9276 1.9467 1.9467 8.4571 8.4571 8.5076 8.5076 10.5851 10.5851 10.6010 10.6010 10.6534 10.6534 10.6691 10.6691 11.9764 11.9764 11.9919 11.9919 12.1137 12.1137 12.1283 12.1283 13.2566 13.2566 13.4225 13.4225 13.4386 13.4386 18.7179 18.7179 18.7273 18.7273 19.1550 19.1550 20.1315 20.1315 k = 0.0120-0.0482-0.0852 ( 1687 PWs) bands (ev): -8.1266 -8.1266 -7.0481 -7.0481 -6.9989 -6.9989 -3.8537 -3.8537 -3.8502 -3.8502 1.9325 1.9325 1.9516 1.9516 8.4585 8.4585 8.5090 8.5090 10.5529 10.5529 10.5833 10.5833 10.6266 10.6266 10.6566 10.6566 11.9450 11.9450 11.9734 11.9734 12.0941 12.0941 12.1202 12.1202 13.2463 13.2463 13.3967 13.3967 13.4280 13.4280 18.7272 18.7272 18.7405 18.7405 19.1678 19.1678 20.1297 20.1297 k = 0.0160-0.0643-0.1136 ( 1691 PWs) bands (ev): -8.1184 -8.1184 -7.0400 -7.0400 -6.9908 -6.9908 -3.8460 -3.8460 -3.8424 -3.8424 1.9393 1.9393 1.9584 1.9584 8.4605 8.4605 8.5111 8.5111 10.5082 10.5082 10.5560 10.5560 10.5923 10.5923 10.6393 10.6393 11.9023 11.9023 11.9458 11.9458 12.0686 12.0686 12.1078 12.1078 13.2318 13.2318 13.3604 13.3604 13.4137 13.4137 18.7394 18.7394 18.7591 18.7591 19.1854 19.1854 20.1272 20.1272 k = 0.0199-0.0804-0.1420 ( 1687 PWs) bands (ev): -8.1079 -8.1079 -7.0296 -7.0296 -6.9803 -6.9803 -3.8360 -3.8360 -3.8325 -3.8325 1.9481 1.9481 1.9672 1.9672 8.4630 8.4630 8.5136 8.5136 10.4518 10.4518 10.5134 10.5134 10.5561 10.5561 10.6169 10.6169 11.8499 11.8499 11.9074 11.9074 12.0396 12.0396 12.0905 12.0905 13.2135 13.2135 13.3145 13.3145 13.3955 13.3955 18.7548 18.7548 18.7821 18.7821 19.2074 19.2074 20.1247 20.1247 k = 0.0239-0.0965-0.1705 ( 1683 PWs) bands (ev): -8.0950 -8.0950 -7.0169 -7.0169 -6.9675 -6.9675 -3.8239 -3.8239 -3.8203 -3.8203 1.9588 1.9588 1.9779 1.9779 8.4660 8.4660 8.5167 8.5167 10.3844 10.3844 10.4548 10.4548 10.5194 10.5194 10.5894 10.5894 11.7885 11.7885 11.8573 11.8573 12.0081 12.0081 12.0676 12.0676 13.1914 13.1914 13.2598 13.2598 13.3731 13.3731 18.7735 18.7735 18.8087 18.8087 19.2334 19.2334 20.1227 20.1227 k = 0.0279-0.1125-0.1989 ( 1685 PWs) bands (ev): -8.0798 -8.0798 -7.0018 -7.0018 -6.9525 -6.9525 -3.8096 -3.8096 -3.8059 -3.8059 1.9714 1.9714 1.9905 1.9905 8.4695 8.4695 8.5201 8.5201 10.3066 10.3066 10.3835 10.3835 10.4792 10.4792 10.5565 10.5565 11.7188 11.7188 11.7958 11.7958 11.9739 11.9739 12.0387 12.0387 13.1654 13.1654 13.1970 13.1970 13.3466 13.3466 18.7953 18.7953 18.8376 18.8376 19.2629 19.2629 20.1217 20.1217 k = 0.0319-0.1286-0.2273 ( 1683 PWs) bands (ev): -8.0622 -8.0622 -6.9845 -6.9845 -6.9350 -6.9350 -3.7930 -3.7930 -3.7894 -3.7894 1.9859 1.9859 2.0050 2.0050 8.4734 8.4734 8.5240 8.5240 10.2191 10.2191 10.3018 10.3018 10.4338 10.4338 10.5183 10.5183 11.6416 11.6416 11.7242 11.7242 11.9367 11.9367 12.0038 12.0038 13.1247 13.1247 13.1386 13.1386 13.3159 13.3159 18.8204 18.8204 18.8680 18.8680 19.2957 19.2957 20.1222 20.1222 k = 0.0359-0.1447-0.2557 ( 1683 PWs) bands (ev): -8.0423 -8.0423 -6.9648 -6.9648 -6.9153 -6.9153 -3.7743 -3.7743 -3.7706 -3.7706 2.0022 2.0022 2.0214 2.0214 8.4775 8.4775 8.5281 8.5281 10.1228 10.1228 10.2108 10.2108 10.3826 10.3826 10.4748 10.4748 11.5578 11.5578 11.6439 11.6439 11.8956 11.8956 11.9625 11.9625 13.0489 13.0489 13.1051 13.1051 13.2810 13.2810 18.8487 18.8487 18.8991 18.8991 19.3310 19.3310 20.1246 20.1246 k = 0.0399-0.1608-0.2841 ( 1681 PWs) bands (ev): -8.0200 -8.0200 -6.9428 -6.9428 -6.8932 -6.8932 -3.7534 -3.7534 -3.7496 -3.7496 2.0207 2.0207 2.0399 2.0399 8.4818 8.4818 8.5324 8.5324 10.0181 10.0181 10.1114 10.1114 10.3254 10.3254 10.4260 10.4260 11.4681 11.4681 11.5560 11.5560 11.8499 11.8499 11.9145 11.9145 12.9667 12.9667 13.0694 13.0694 13.2422 13.2422 18.8800 18.8800 18.9298 18.9298 19.3686 19.3686 20.1292 20.1292 k = 0.0439-0.1769-0.3125 ( 1675 PWs) bands (ev): -7.9954 -7.9954 -6.9185 -6.9185 -6.8689 -6.8689 -3.7302 -3.7302 -3.7264 -3.7264 2.0408 2.0408 2.0601 2.0601 8.4863 8.4863 8.5368 8.5368 9.9058 9.9058 10.0043 10.0043 10.2619 10.2619 10.3717 10.3717 11.3735 11.3735 11.4617 11.4617 11.7995 11.7995 11.8600 11.8600 12.8797 12.8797 13.0306 13.0306 13.1997 13.1997 18.9142 18.9142 18.9594 18.9594 19.4081 19.4081 20.1363 20.1363 k = 0.0479-0.1929-0.3409 ( 1677 PWs) bands (ev): -7.9685 -7.9685 -6.8919 -6.8919 -6.8422 -6.8422 -3.7049 -3.7049 -3.7011 -3.7011 2.0629 2.0629 2.0821 2.0821 8.4907 8.4907 8.5411 8.5411 9.7866 9.7866 9.8902 9.8902 10.1920 10.1920 10.3120 10.3120 11.2746 11.2746 11.3620 11.3620 11.7438 11.7438 11.7983 11.7983 12.7889 12.7889 12.9886 12.9886 13.1539 13.1539 18.9514 18.9514 18.9874 18.9874 19.4490 19.4490 20.1462 20.1462 k = 0.0518-0.2090-0.3693 ( 1679 PWs) bands (ev): -7.9393 -7.9393 -6.8630 -6.8630 -6.8132 -6.8132 -3.6774 -3.6774 -3.6735 -3.6735 2.0867 2.0867 2.1060 2.1060 8.4948 8.4948 8.5452 8.5452 9.6612 9.6612 9.7696 9.7696 10.1159 10.1159 10.2468 10.2468 11.1723 11.1723 11.2577 11.2577 11.6828 11.6828 11.7295 11.7295 12.6952 12.6952 12.9430 12.9430 13.1052 13.1052 18.9911 18.9911 19.0135 19.0135 19.4912 19.4912 20.1589 20.1589 k = 0.0558-0.2251-0.3977 ( 1677 PWs) bands (ev): -7.9077 -7.9077 -6.8318 -6.8318 -6.7819 -6.7819 -3.6477 -3.6477 -3.6437 -3.6437 2.1124 2.1124 2.1318 2.1318 8.4986 8.4986 8.5488 8.5488 9.5302 9.5302 9.6433 9.6433 10.0336 10.0336 10.1762 10.1762 11.0672 11.0672 11.1498 11.1498 11.6167 11.6167 11.6534 11.6534 12.5993 12.5993 12.8936 12.8936 13.0543 13.0543 19.0324 19.0324 19.0383 19.0383 19.5344 19.5344 20.1747 20.1747 k = 0.0598-0.2412-0.4261 ( 1675 PWs) bands (ev): -7.8738 -7.8738 -6.7983 -6.7983 -6.7483 -6.7483 -3.6158 -3.6158 -3.6118 -3.6118 2.1399 2.1399 2.1593 2.1593 8.5015 8.5015 8.5516 8.5516 9.3941 9.3941 9.5118 9.5118 9.9454 9.9454 10.1003 10.1003 10.9600 10.9600 11.0390 11.0390 11.5455 11.5455 11.5701 11.5701 12.5020 12.5020 12.8399 12.8399 13.0020 13.0020 19.0577 19.0577 19.0792 19.0792 19.5784 19.5784 20.1934 20.1934 k = 0.0638-0.2573-0.4546 ( 1679 PWs) bands (ev): -7.8376 -7.8376 -6.7626 -6.7626 -6.7124 -6.7124 -3.5818 -3.5818 -3.5777 -3.5777 2.1692 2.1692 2.1886 2.1886 8.5033 8.5033 8.5533 8.5533 9.2535 9.2535 9.3756 9.3756 9.8517 9.8517 10.0192 10.0192 10.8512 10.8512 10.9260 10.9260 11.4694 11.4694 11.4795 11.4795 12.4036 12.4036 12.7812 12.7812 12.9488 12.9488 19.0766 19.0766 19.1263 19.1263 19.6230 19.6230 20.2151 20.2151 k = 0.0678-0.2733-0.4830 ( 1681 PWs) bands (ev): -7.7990 -7.7990 -6.7245 -6.7245 -6.6742 -6.6742 -3.5455 -3.5455 -3.5414 -3.5414 2.2002 2.2002 2.2197 2.2197 8.5034 8.5034 8.5535 8.5535 9.1089 9.1089 9.2353 9.2353 9.7531 9.7531 9.9332 9.9332 10.7412 10.7412 10.8115 10.8115 11.3818 11.3818 11.3886 11.3886 12.3048 12.3048 12.7176 12.7176 12.8953 12.8953 19.0932 19.0932 19.1759 19.1759 19.6684 19.6684 20.2396 20.2396 k = 0.0718-0.2894-0.5114 ( 1679 PWs) bands (ev): -7.7581 -7.7581 -6.6841 -6.6841 -6.6337 -6.6337 -3.5071 -3.5071 -3.5029 -3.5029 2.2330 2.2330 2.2525 2.2525 8.5010 8.5010 8.5516 8.5516 8.9609 8.9609 9.0914 9.0914 9.6505 9.6505 9.8428 9.8428 10.6302 10.6302 10.6961 10.6961 11.2775 11.2775 11.3034 11.3034 12.2058 12.2058 12.6488 12.6488 12.8420 12.8420 19.1078 19.1078 19.2276 19.2276 19.7146 19.7146 20.2668 20.2668 k = 0.0758-0.3055-0.5398 ( 1679 PWs) bands (ev): -7.7150 -7.7150 -6.6415 -6.6415 -6.5909 -6.5909 -3.4666 -3.4666 -3.4623 -3.4623 2.2674 2.2674 2.2870 2.2870 8.4952 8.4952 8.5465 8.5465 8.8101 8.8101 8.9444 8.9444 9.5452 9.5452 9.7486 9.7486 10.5185 10.5185 10.5802 10.5802 11.1669 11.1669 11.2142 11.2142 12.1065 12.1065 12.5749 12.5749 12.7887 12.7887 19.1206 19.1206 19.2813 19.2813 19.7614 19.7614 20.2923 20.2923 k = 0.0798-0.3216-0.5682 ( 1679 PWs) bands (ev): -7.6695 -7.6695 -6.5965 -6.5965 -6.5458 -6.5458 -3.4239 -3.4239 -3.4195 -3.4195 2.3035 2.3035 2.3232 2.3232 8.4841 8.4841 8.5366 8.5366 8.6578 8.6578 8.7950 8.7950 9.4390 9.4390 9.6515 9.6515 10.4062 10.4062 10.4643 10.4643 11.0506 11.0506 11.1211 11.1211 12.0072 12.0072 12.4962 12.4962 12.7354 12.7354 19.1319 19.1319 19.3369 19.3369 19.8090 19.8090 20.2862 20.2862 k = 0.0838-0.3376-0.5966 ( 1679 PWs) bands (ev): -7.6217 -7.6217 -6.5493 -6.5493 -6.4984 -6.4984 -3.3790 -3.3790 -3.3745 -3.3745 2.3412 2.3412 2.3609 2.3609 8.4650 8.4650 8.4889 8.4889 8.5359 8.5359 8.6442 8.6442 9.3343 9.3343 9.5528 9.5528 10.2932 10.2932 10.3489 10.3489 10.9292 10.9292 11.0247 11.0247 11.9075 11.9075 12.4132 12.4132 12.6817 12.6817 19.1418 19.1418 19.3943 19.3943 19.8576 19.8576 20.2810 20.2810 k = 0.0877-0.3537-0.6250 ( 1679 PWs) bands (ev): -7.5715 -7.5715 -6.4999 -6.4999 -6.4487 -6.4487 -3.3320 -3.3320 -3.3274 -3.3274 2.3805 2.3805 2.4002 2.4002 8.3383 8.3383 8.4296 8.4296 8.4981 8.4981 8.5086 8.5086 9.2342 9.2342 9.4538 9.4538 10.1796 10.1796 10.2342 10.2342 10.8032 10.8032 10.9252 10.9252 11.8076 11.8076 12.3261 12.3261 12.6275 12.6275 19.1509 19.1509 19.4534 19.4534 19.9071 19.9071 20.2768 20.2768 k = 0.0917-0.3698-0.6534 ( 1681 PWs) bands (ev): -7.5191 -7.5191 -6.4481 -6.4481 -6.3968 -6.3968 -3.2829 -3.2829 -3.2782 -3.2782 2.4213 2.4213 2.4410 2.4410 8.1793 8.1793 8.3206 8.3206 8.4104 8.4104 8.4791 8.4791 9.1424 9.1424 9.3566 9.3566 10.0653 10.0653 10.1207 10.1207 10.6734 10.6734 10.8230 10.8230 11.7072 11.7072 12.2355 12.2355 12.5727 12.5727 19.1593 19.1593 19.5141 19.5141 19.9577 19.9577 20.2737 20.2737 k = 0.0957-0.3859-0.6818 ( 1685 PWs) bands (ev): -7.4644 -7.4644 -6.3942 -6.3942 -6.3426 -6.3426 -3.2316 -3.2316 -3.2268 -3.2268 2.4635 2.4635 2.4833 2.4833 8.0188 8.0188 8.1678 8.1678 8.3490 8.3490 8.4394 8.4394 9.0628 9.0628 9.2631 9.2631 9.9503 9.9503 10.0086 10.0086 10.5403 10.5403 10.7185 10.7185 11.6062 11.6062 12.1416 12.1416 12.5168 12.5168 19.1672 19.1672 19.5763 19.5763 20.0095 20.0095 20.2718 20.2718 k = 0.0997-0.4020-0.7102 ( 1683 PWs) bands (ev): -7.4074 -7.4074 -6.3379 -6.3379 -6.2861 -6.2861 -3.1783 -3.1783 -3.1733 -3.1733 2.5070 2.5070 2.5269 2.5269 7.8572 7.8572 8.0106 8.0106 8.2722 8.2722 8.3868 8.3868 8.9975 8.9975 9.1751 9.1751 9.8347 9.8347 9.8990 9.8990 10.4046 10.4046 10.6121 10.6121 11.5044 11.5044 12.0449 12.0449 12.4599 12.4599 19.1748 19.1748 19.6399 19.6399 20.0625 20.0625 20.2714 20.2714 k = 0.1037-0.4180-0.7387 ( 1683 PWs) bands (ev): -7.3482 -7.3482 -6.2794 -6.2794 -6.2274 -6.2274 -3.1228 -3.1228 -3.1177 -3.1177 2.5519 2.5519 2.5718 2.5718 7.6951 7.6951 7.8521 7.8521 8.1776 8.1776 8.3195 8.3195 8.9466 8.9466 9.0937 9.0937 9.7188 9.7188 9.7925 9.7925 10.2669 10.2669 10.5044 10.5044 11.4017 11.4017 11.9455 11.9455 12.4017 12.4017 19.1823 19.1823 19.7048 19.7048 20.1170 20.1170 20.2723 20.2723 k = 0.1077-0.4341-0.7671 ( 1683 PWs) bands (ev): -7.2866 -7.2866 -6.2187 -6.2187 -6.1664 -6.1664 -3.0652 -3.0652 -3.0600 -3.0600 2.5980 2.5980 2.6178 2.6178 7.5326 7.5326 7.6930 7.6930 8.0670 8.0670 8.2371 8.2371 8.9072 8.9072 9.0181 9.0181 9.6029 9.6029 9.6900 9.6900 10.1279 10.1279 10.3957 10.3957 11.2979 11.2979 11.8437 11.8437 12.3422 12.3422 19.1897 19.1897 19.7707 19.7707 20.1728 20.1728 20.2748 20.2748 k = 0.1117-0.4502-0.7955 ( 1681 PWs) bands (ev): -7.2228 -7.2228 -6.1557 -6.1557 -6.1032 -6.1032 -3.0055 -3.0055 -3.0002 -3.0002 2.6451 2.6451 2.6650 2.6650 7.3701 7.3701 7.5337 7.5337 7.9436 7.9436 8.1404 8.1404 8.8756 8.8756 8.9463 8.9463 9.4876 9.4876 9.5930 9.5930 9.9881 9.9881 10.2868 10.2868 11.1931 11.1931 11.7399 11.7399 12.2812 12.2812 19.1973 19.1973 19.8375 19.8375 20.2302 20.2302 20.2790 20.2790 k = 0.1157-0.4663-0.8239 ( 1681 PWs) bands (ev): -7.1567 -7.1567 -6.0905 -6.0905 -6.0377 -6.0377 -2.9438 -2.9438 -2.9383 -2.9383 2.6932 2.6932 2.7131 2.7131 7.2079 7.2079 7.3747 7.3747 7.8105 7.8105 8.0311 8.0311 8.8470 8.8470 8.8747 8.8747 9.3742 9.3742 9.5027 9.5027 9.8483 9.8483 10.1783 10.1783 11.0874 11.0874 11.6343 11.6343 12.2187 12.2187 19.2050 19.2050 19.9048 19.9048 20.2847 20.2847 20.2892 20.2892 k = 0.1196-0.4824-0.8523 ( 1675 PWs) bands (ev): -7.0883 -7.0883 -6.0231 -6.0231 -5.9700 -5.9700 -2.8800 -2.8800 -2.8743 -2.8743 2.7422 2.7422 2.7620 2.7620 7.0464 7.0464 7.2162 7.2162 7.6703 7.6703 7.9115 7.9115 8.7997 8.7997 8.8163 8.8163 9.2650 9.2650 9.4201 9.4201 9.7094 9.7094 10.0713 10.0713 10.9806 10.9806 11.5272 11.5272 12.1547 12.1547 19.2129 19.2129 19.9722 19.9722 20.2931 20.2931 20.3496 20.3496 k = 0.1236-0.4984-0.8807 ( 1681 PWs) bands (ev): -7.0177 -7.0177 -5.9535 -5.9535 -5.9001 -5.9001 -2.8142 -2.8142 -2.8083 -2.8083 2.7917 2.7917 2.8115 2.8115 6.8857 6.8857 7.0585 7.0585 7.5250 7.5250 7.7838 7.7838 8.7183 8.7183 8.7771 8.7771 9.1637 9.1637 9.3450 9.3450 9.5724 9.5724 9.9669 9.9669 10.8729 10.8729 11.4188 11.4188 12.0890 12.0890 19.2210 19.2210 20.0387 20.0387 20.3039 20.3039 20.4117 20.4117 k = 0.1276-0.5145-0.9091 ( 1679 PWs) bands (ev): -6.9448 -6.9448 -5.8817 -5.8817 -5.8279 -5.8279 -2.7463 -2.7463 -2.7402 -2.7402 2.8418 2.8418 2.8615 2.8615 6.7263 6.7263 6.9021 6.9021 7.3759 7.3759 7.6498 7.6498 8.6288 8.6288 8.7220 8.7220 9.0744 9.0744 9.2759 9.2759 9.4400 9.4400 9.8669 9.8669 10.7642 10.7642 11.3094 11.3094 12.0217 12.0217 19.2294 19.2294 20.1027 20.1027 20.3194 20.3194 20.4755 20.4755 k = 0.1316-0.5306-0.9375 ( 1679 PWs) bands (ev): -6.8697 -6.8697 -5.8078 -5.8078 -5.7536 -5.7536 -2.6764 -2.6764 -2.6701 -2.6701 2.8919 2.8919 2.9116 2.9116 6.5684 6.5684 6.7473 6.7473 7.2240 7.2240 7.5112 7.5112 8.5310 8.5310 8.6457 8.6457 8.9977 8.9977 9.2097 9.2097 9.3161 9.3161 9.7734 9.7734 10.6547 10.6547 11.1992 11.1992 11.9528 11.9528 19.2380 19.2380 20.1613 20.1613 20.3418 20.3418 20.5409 20.5409 k = 0.1356-0.5467-0.9659 ( 1677 PWs) bands (ev): -6.7924 -6.7924 -5.7316 -5.7316 -5.6770 -5.6770 -2.6045 -2.6045 -2.5979 -2.5979 2.9420 2.9420 2.9616 2.9616 6.4126 6.4126 6.5945 6.5945 7.0702 7.0702 7.3690 7.3690 8.4257 8.4257 8.5490 8.5490 8.9246 8.9246 9.1423 9.1423 9.2086 9.2086 9.6889 9.6889 10.5444 10.5444 11.0887 11.0887 11.8823 11.8823 19.2470 19.2470 20.2100 20.2100 20.3754 20.3754 20.6080 20.6080 k = 0.1396-0.5627-0.9943 ( 1675 PWs) bands (ev): -6.7128 -6.7128 -5.6533 -5.6533 -5.5983 -5.5983 -2.5306 -2.5306 -2.5238 -2.5238 2.9916 2.9916 3.0112 3.0112 6.2592 6.2592 6.4440 6.4440 6.9151 6.9151 7.2242 7.2242 8.3141 8.3141 8.4371 8.4371 8.8392 8.8392 9.0696 9.0696 9.1278 9.1278 9.6155 9.6155 10.4336 10.4336 10.9781 10.9781 11.8101 11.8101 19.2563 19.2563 20.2462 20.2462 20.4225 20.4225 20.6765 20.6765 k = 0.1436-0.5788-1.0228 ( 1677 PWs) bands (ev): -6.6311 -6.6311 -5.5728 -5.5728 -5.5174 -5.5174 -2.4548 -2.4548 -2.4477 -2.4477 3.0404 3.0404 3.0598 3.0598 6.1086 6.1086 6.2963 6.2963 6.7592 6.7592 7.0775 7.0775 8.1973 8.1973 8.3154 8.3154 8.7339 8.7339 8.9887 8.9887 9.0757 9.0757 9.5543 9.5543 10.3224 10.3224 10.8678 10.8678 11.7364 11.7364 19.2657 19.2657 20.2717 20.2717 20.4809 20.4809 20.7466 20.7466 k = 0.1476-0.5949-1.0512 ( 1679 PWs) bands (ev): -6.5472 -6.5472 -5.4902 -5.4902 -5.4343 -5.4343 -2.3770 -2.3770 -2.3697 -2.3697 3.0876 3.0876 3.1071 3.1071 5.9615 5.9615 6.1520 6.1520 6.6029 6.6029 6.9296 6.9296 8.0766 8.0766 8.1873 8.1873 8.6136 8.6136 8.8985 8.8985 9.0438 9.0438 9.5045 9.5045 10.2108 10.2108 10.7584 10.7584 11.6610 11.6610 19.2754 19.2754 20.2907 20.2907 20.5460 20.5460 20.8178 20.8178 k = 0.1515-0.6110-1.0796 ( 1681 PWs) bands (ev): -6.4610 -6.4610 -5.4054 -5.4054 -5.3491 -5.3491 -2.2974 -2.2974 -2.2897 -2.2897 3.1327 3.1327 3.1523 3.1523 5.8186 5.8186 6.0117 6.0117 6.4466 6.4466 6.7809 6.7809 7.9527 7.9527 8.0551 8.0551 8.4853 8.4853 8.7999 8.7999 9.0227 9.0227 9.4642 9.4642 10.0993 10.0993 10.6502 10.6502 11.5841 11.5841 19.2854 19.2854 20.3061 20.3061 20.6142 20.6142 20.8901 20.8901 k = 0.1555-0.6271-1.1080 ( 1685 PWs) bands (ev): -6.3727 -6.3727 -5.3186 -5.3186 -5.2617 -5.2617 -2.2158 -2.2158 -2.2078 -2.2078 3.1748 3.1748 3.1947 3.1947 5.6806 5.6806 5.8761 5.8761 6.2905 6.2905 6.6318 6.6318 7.8263 7.8263 7.9198 7.9198 8.3531 8.3531 8.6942 8.6942 9.0069 9.0069 9.4305 9.4305 9.9882 9.9882 10.5441 10.5441 11.5056 11.5056 19.2957 19.2957 20.3197 20.3197 20.6835 20.6835 20.9628 20.9628 k = 0.1595-0.6431-1.1364 ( 1685 PWs) bands (ev): -6.2823 -6.2823 -5.2297 -5.2297 -5.1722 -5.1722 -2.1324 -2.1324 -2.1240 -2.1240 3.2130 3.2130 3.2333 3.2333 5.5486 5.5486 5.7461 5.7461 6.1353 6.1353 6.4830 6.4830 7.6982 7.6982 7.7825 7.7825 8.2192 8.2192 8.5833 8.5833 8.9931 8.9931 9.4004 9.4004 9.8778 9.8778 10.4407 10.4407 11.4256 11.4256 19.3063 19.3063 20.3321 20.3321 20.7523 20.7523 21.0353 21.0353 k = 0.1635-0.6592-1.1648 ( 1687 PWs) bands (ev): -6.1896 -6.1896 -5.1387 -5.1387 -5.0806 -5.0806 -2.0472 -2.0472 -2.0385 -2.0385 3.2459 3.2459 3.2671 3.2671 5.4239 5.4239 5.6225 5.6225 5.9814 5.9814 6.3345 6.3345 7.5686 7.5686 7.6437 7.6437 8.0847 8.0847 8.4683 8.4683 8.9792 8.9792 9.3712 9.3712 9.7688 9.7688 10.3412 10.3412 11.3443 11.3443 19.3172 19.3172 20.3436 20.3436 20.8194 20.8194 21.1062 21.1062 k = 0.1675-0.6753-1.1932 ( 1683 PWs) bands (ev): -6.0949 -6.0949 -5.0456 -5.0456 -4.9869 -4.9869 -1.9602 -1.9602 -1.9510 -1.9510 3.2720 3.2720 3.2948 3.2948 5.3077 5.3077 5.5061 5.5061 5.8294 5.8294 6.1869 6.1869 7.4381 7.4381 7.5041 7.5041 7.9501 7.9501 8.3507 8.3507 8.9636 8.9636 9.3405 9.3405 9.6619 9.6619 10.2467 10.2467 11.2616 11.2616 19.3285 19.3285 20.3545 20.3545 20.8837 20.8837 21.1733 21.1733 k = 0.1715-0.6914-1.2216 ( 1691 PWs) bands (ev): -5.9980 -5.9980 -4.9505 -4.9505 -4.8911 -4.8911 -1.8715 -1.8715 -1.8619 -1.8619 3.2896 3.2896 3.3147 3.3147 5.2015 5.2015 5.3972 5.3972 5.6805 5.6805 6.0405 6.0405 7.3069 7.3069 7.3638 7.3638 7.8155 7.8155 8.2309 8.2309 8.9443 8.9443 9.3057 9.3057 9.5584 9.5584 10.1586 10.1586 11.1774 11.1774 19.3402 19.3402 20.3647 20.3647 20.9437 20.9437 21.2327 21.2327 k = 0.1755-0.7074-1.2500 ( 1693 PWs) bands (ev): -5.8990 -5.8990 -4.8534 -4.8534 -4.7933 -4.7933 -1.7811 -1.7811 -1.7710 -1.7710 3.2970 3.2970 3.3254 3.3254 5.1068 5.1068 5.2955 5.2955 5.5370 5.5370 5.8959 5.8959 7.1753 7.1753 7.2234 7.2234 7.6819 7.6819 8.1100 8.1100 8.9195 8.9195 9.2647 9.2647 9.4599 9.4599 10.0785 10.0785 11.0921 11.0921 19.3524 19.3524 20.3742 20.3742 20.9983 20.9983 21.2804 21.2804 k = 0.1795-0.7235-1.2784 ( 1695 PWs) bands (ev): -5.7980 -5.7980 -4.7544 -4.7544 -4.6935 -4.6935 -1.6891 -1.6891 -1.6784 -1.6784 3.2920 3.2920 3.3252 3.3252 5.0249 5.0249 5.1973 5.1973 5.4040 5.4040 5.7539 5.7539 7.0435 7.0435 7.0830 7.0830 7.5490 7.5490 7.9884 7.9884 8.8866 8.8866 9.2157 9.2157 9.3689 9.3689 10.0076 10.0076 11.0057 11.0057 19.3652 19.3652 20.3831 20.3831 21.0461 21.0461 21.3129 21.3129 k = 0.1835-0.7396-1.3068 ( 1687 PWs) bands (ev): -5.6948 -5.6948 -4.6533 -4.6533 -4.5916 -4.5916 -1.5955 -1.5955 -1.5842 -1.5842 3.2734 3.2734 3.3128 3.3128 4.9563 4.9563 5.0940 5.0940 5.2916 5.2916 5.6155 5.6155 6.9119 6.9119 6.9429 6.9429 7.4172 7.4172 7.8666 7.8666 8.8428 8.8428 9.1577 9.1577 9.2881 9.2881 9.9470 9.9470 10.9183 10.9183 19.3788 19.3788 20.3912 20.3912 21.0860 21.0860 21.3296 21.3296 k = 0.1874-0.7557-1.3353 ( 1689 PWs) bands (ev): -5.5897 -5.5897 -4.5503 -4.5503 -4.4878 -4.4878 -1.5004 -1.5004 -1.4885 -1.4885 3.2402 3.2402 3.2871 3.2871 4.9001 4.9001 4.9765 4.9765 5.2099 5.2099 5.4826 5.4826 6.7805 6.7805 6.8033 6.8033 7.2866 7.2866 7.7447 7.7447 8.7854 8.7854 9.0898 9.0898 9.2196 9.2196 9.8961 9.8961 10.8298 10.8298 19.3931 19.3931 20.3983 20.3983 21.1169 21.1169 21.3317 21.3317 k = 0.1914-0.7718-1.3637 ( 1693 PWs) bands (ev): -5.4825 -5.4825 -4.4455 -4.4455 -4.3820 -4.3820 -1.4039 -1.4039 -1.3913 -1.3913 3.1922 3.1922 3.2479 3.2479 4.8455 4.8455 4.8528 4.8528 5.1582 5.1582 5.3586 5.3586 6.6495 6.6495 6.6645 6.6645 7.1574 7.1574 7.6232 7.6232 8.7144 8.7144 9.0132 9.0132 9.1640 9.1640 9.8546 9.8546 10.7403 10.7403 19.4083 19.4083 20.4042 20.4042 21.1383 21.1383 21.3209 21.3209 k = 0.1954-0.7878-1.3921 ( 1697 PWs) bands (ev): -5.3733 -5.3733 -4.3388 -4.3388 -4.2742 -4.2742 -1.3060 -1.3060 -1.2927 -1.2927 3.1305 3.1305 3.1956 3.1956 4.7075 4.7075 4.8076 4.8076 5.1296 5.1296 5.2497 5.2497 6.5192 6.5192 6.5267 6.5267 7.0298 7.0298 7.5025 7.5025 8.6315 8.6315 8.9286 8.9286 9.1193 9.1193 9.8211 9.8211 10.6499 10.6499 19.4245 19.4245 20.4086 20.4086 21.1503 21.1503 21.2986 21.2986 k = 0.1994-0.8039-1.4205 ( 1697 PWs) bands (ev): -5.2622 -5.2622 -4.2302 -4.2302 -4.1646 -4.1646 -1.2070 -1.2070 -1.1928 -1.1928 3.0564 3.0564 3.1312 3.1312 4.5667 4.5667 4.7530 4.7530 5.1185 5.1185 5.1655 5.1655 6.3898 6.3898 6.3903 6.3903 6.9044 6.9044 7.3829 7.3829 8.5397 8.5397 8.8378 8.8378 9.0826 9.0826 9.7940 9.7940 10.5589 10.5589 19.4419 19.4419 20.4112 20.4112 21.1537 21.1537 21.2663 21.2663 k = 0.2034-0.8200-1.4489 ( 1697 PWs) bands (ev): -5.1491 -5.1491 -4.1199 -4.1199 -4.0530 -4.0530 -1.1068 -1.1068 -1.0917 -1.0917 2.9721 2.9721 3.0563 3.0563 4.4252 4.4252 4.6781 4.6781 5.1150 5.1150 5.1207 5.1207 6.2555 6.2555 6.2616 6.2616 6.7814 6.7814 7.2647 7.2647 8.4420 8.4420 8.7420 8.7420 9.0510 9.0510 9.7718 9.7718 10.4672 10.4672 19.4604 19.4604 20.4113 20.4113 21.1496 21.1496 21.2253 21.2253 k = 0.2074-0.8361-1.4773 ( 1697 PWs) bands (ev): -5.0340 -5.0340 -4.0079 -4.0079 -3.9397 -3.9397 -1.0057 -1.0057 -0.9896 -0.9896 2.8795 2.8795 2.9727 2.9727 4.2840 4.2840 4.5816 4.5816 5.0971 5.0971 5.1325 5.1325 6.1229 6.1229 6.1346 6.1346 6.6616 6.6616 7.1483 7.1483 8.3405 8.3405 8.6425 8.6425 9.0223 9.0223 9.7533 9.7533 10.3750 10.3750 19.4804 19.4804 20.4085 20.4085 21.1397 21.1397 21.1769 21.1769 k = 0.2114-0.8522-1.5057 ( 1697 PWs) bands (ev): -4.9172 -4.9172 -3.8941 -3.8941 -3.8246 -3.8246 -0.9039 -0.9039 -0.8866 -0.8866 2.7806 2.7806 2.8821 2.8821 4.1437 4.1437 4.4699 4.4699 5.1029 5.1029 5.1504 5.1504 5.9931 5.9931 6.0095 6.0095 6.5458 6.5458 7.0343 7.0343 8.2370 8.2370 8.5404 8.5404 8.9951 8.9951 9.7373 9.7373 10.2823 10.2823 19.5016 19.5016 20.4019 20.4019 21.1223 21.1223 21.1262 21.1262 k = 0.2154-0.8682-1.5341 ( 1691 PWs) bands (ev): -4.7984 -4.7984 -3.7787 -3.7787 -3.7076 -3.7076 -0.8014 -0.8014 -0.7829 -0.7829 2.6772 2.6772 2.7863 2.7863 4.0047 4.0047 4.3500 4.3500 5.1230 5.1230 5.1701 5.1701 5.8672 5.8672 5.8865 5.8865 6.4354 6.4354 6.9233 6.9233 8.1325 8.1325 8.4365 8.4365 8.9683 8.9683 9.7229 9.7229 10.1894 10.1894 19.5244 19.5244 20.3907 20.3907 21.0625 21.0625 21.1113 21.1113 k = 0.2193-0.8843-1.5625 ( 1695 PWs) bands (ev): -4.6778 -4.6778 -3.6617 -3.6617 -3.5890 -3.5890 -0.6987 -0.6987 -0.6788 -0.6788 2.5708 2.5708 2.6868 2.6868 3.8671 3.8671 4.2261 4.2261 5.1504 5.1504 5.1862 5.1862 5.7470 5.7470 5.7668 5.7668 6.3324 6.3324 6.8158 6.8158 8.0279 8.0279 8.3315 8.3315 8.9412 8.9412 9.7094 9.7094 10.0962 10.0962 19.5486 19.5486 20.3740 20.3740 20.9987 20.9987 21.0972 21.0972 k = 0.2233-0.9004-1.5909 ( 1697 PWs) bands (ev): -4.5555 -4.5555 -3.5433 -3.5433 -3.4688 -3.4688 -0.5960 -0.5960 -0.5745 -0.5745 2.4628 2.4628 2.5849 2.5849 3.7312 3.7312 4.1006 4.1006 5.1790 5.1790 5.1915 5.1915 5.6358 5.6358 5.6521 5.6521 6.2397 6.2397 6.7132 6.7132 7.9237 7.9237 8.2259 8.2259 8.9135 8.9135 9.6963 9.6963 10.0030 10.0030 19.5740 19.5740 20.3511 20.3511 20.9319 20.9319 21.0857 21.0857 k = 0.2273-0.9165-1.6194 ( 1697 PWs) bands (ev): -4.4314 -4.4314 -3.4234 -3.4234 -3.3470 -3.3470 -0.4938 -0.4938 -0.4705 -0.4705 2.3544 2.3544 2.4819 2.4819 3.5972 3.5972 3.9749 3.9749 5.1758 5.1758 5.2009 5.2009 5.5382 5.5382 5.5469 5.5469 6.1614 6.1614 6.6167 6.6167 7.8206 7.8206 8.1203 8.1203 8.8849 8.8849 9.6831 9.6831 9.9100 9.9100 19.6007 19.6007 20.3218 20.3218 20.8631 20.8631 21.0786 21.0786 k = 0.2313-0.9325-1.6478 ( 1697 PWs) bands (ev): -4.3057 -4.3057 -3.3022 -3.3022 -3.2236 -3.2236 -0.3925 -0.3925 -0.3671 -0.3671 2.2466 2.2466 2.3790 2.3790 3.4651 3.4651 3.8497 3.8497 5.1303 5.1303 5.2019 5.2019 5.4574 5.4574 5.4621 5.4621 6.1025 6.1025 6.5280 6.5280 7.7192 7.7192 8.0149 8.0149 8.8551 8.8551 9.6691 9.6691 9.8176 9.8176 19.6283 19.6283 20.2858 20.2858 20.7934 20.7934 21.0769 21.0769 k = 0.2353-0.9486-1.6762 ( 1699 PWs) bands (ev): -4.1783 -4.1783 -3.1797 -3.1797 -3.0988 -3.0988 -0.2928 -0.2928 -0.2651 -0.2651 2.1405 2.1405 2.2773 2.2773 3.3351 3.3351 3.7257 3.7257 5.0553 5.0553 5.1621 5.1621 5.3881 5.3881 5.4143 5.4143 6.0670 6.0670 6.4497 6.4497 7.6199 7.6199 7.9102 7.9102 8.8241 8.8241 9.6524 9.6524 9.7278 9.7278 19.6565 19.6565 20.2437 20.2437 20.7239 20.7239 21.0813 21.0813 k = 0.2393-0.9647-1.7046 ( 1697 PWs) bands (ev): -4.0493 -4.0493 -3.0561 -3.0561 -2.9726 -2.9726 -0.1956 -0.1956 -0.1650 -0.1650 2.0374 2.0374 2.1781 2.1781 3.2073 3.2073 3.6033 3.6033 4.9604 4.9604 5.0835 5.0835 5.3188 5.3188 5.3984 5.3984 6.0559 6.0559 6.3846 6.3846 7.5236 7.5236 7.8065 7.8065 8.7917 8.7917 9.6140 9.6140 9.6593 9.6593 19.6845 19.6845 20.1962 20.1962 20.6559 20.6559 21.0919 21.0919 k = 0.2433-0.9808-1.7330 ( 1695 PWs) bands (ev): -3.9189 -3.9189 -2.9315 -2.9315 -2.8452 -2.8452 -0.1020 -0.1020 -0.0681 -0.0681 1.9385 1.9385 2.0825 2.0825 3.0818 3.0818 3.4828 3.4828 4.8552 4.8552 4.9867 4.9867 5.2424 5.2424 5.3896 5.3896 6.0657 6.0657 6.3357 6.3357 7.4311 7.4311 7.7043 7.7043 8.7581 8.7581 9.5317 9.5317 9.6345 9.6345 19.7115 19.7115 20.1442 20.1442 20.5908 20.5908 21.1086 21.1086 k = 0.2473-0.9969-1.7614 ( 1699 PWs) bands (ev): -3.7871 -3.7871 -2.8060 -2.8060 -2.7167 -2.7167 -0.0133 -0.0133 0.0245 0.0245 1.8453 1.8453 1.9920 1.9920 2.9588 2.9588 3.3644 3.3644 4.7454 4.7454 4.8840 4.8840 5.1577 5.1577 5.3732 5.3732 6.0905 6.0905 6.3052 6.3052 7.3436 7.3436 7.6038 7.6038 8.7230 8.7230 9.4420 9.4420 9.6168 9.6168 19.7360 19.7360 20.0887 20.0887 20.5305 20.5305 21.1310 21.1310 k = 0.2512-1.0129-1.7898 ( 1699 PWs) bands (ev): -3.6539 -3.6539 -2.6798 -2.6798 -2.5870 -2.5870 0.0684 0.0684 0.1109 0.1109 1.7599 1.7599 1.9087 1.9087 2.8384 2.8384 3.2483 3.2483 4.6340 4.6340 4.7801 4.7801 5.0667 5.0667 5.3435 5.3435 6.1239 6.1239 6.2936 6.2936 7.2626 7.2626 7.5056 7.5056 8.6865 8.6865 9.3519 9.3519 9.5994 9.5994 19.7560 19.7560 20.0306 20.0306 20.4775 20.4775 21.1587 21.1587 k = 0.2552-1.0290-1.8182 ( 1699 PWs) bands (ev): -3.5194 -3.5194 -2.5530 -2.5530 -2.4565 -2.4565 0.1407 0.1407 0.1890 0.1890 1.6844 1.6844 1.8346 1.8346 2.7207 2.7207 3.1349 3.1349 4.5227 4.5227 4.6771 4.6771 4.9717 4.9717 5.2997 5.2997 6.1598 6.1598 6.2989 6.2989 7.1904 7.1904 7.4104 7.4104 8.6487 8.6487 9.2625 9.2625 9.5812 9.5812 19.7690 19.7690 19.9711 19.9711 20.4345 20.4345 21.1913 21.1913 k = 0.2592-1.0451-1.8466 ( 1699 PWs) bands (ev): -3.3837 -3.3837 -2.4259 -2.4259 -2.3252 -2.3252 0.2006 0.2006 0.2560 0.2560 1.6218 1.6218 1.7725 1.7725 2.6059 2.6059 3.0245 3.0245 4.4125 4.4125 4.5760 4.5760 4.8743 4.8743 5.2440 5.2440 6.1927 6.1927 6.3174 6.3174 7.1300 7.1300 7.3190 7.3190 8.6095 8.6095 9.1742 9.1742 9.5620 9.5620 19.7723 19.7723 19.9107 19.9107 20.4048 20.4048 21.2287 21.2287 k = 0.2632-1.0612-1.8750 ( 1709 PWs) bands (ev): -3.2470 -3.2470 -2.2988 -2.2988 -2.1934 -2.1934 0.2448 0.2448 0.3087 0.3087 1.5749 1.5749 1.7254 1.7254 2.4941 2.4941 2.9173 2.9173 4.3039 4.3039 4.4775 4.4775 4.7760 4.7760 5.1791 5.1791 6.2169 6.2169 6.3441 6.3441 7.0851 7.0851 7.2327 7.2327 8.5690 8.5690 9.0872 9.0872 9.5418 9.5418 19.7635 19.7635 19.8502 19.8502 20.3905 20.3905 21.2703 21.2703 k = 0.2672-1.0773-1.9035 ( 1705 PWs) bands (ev): -3.1094 -3.1094 -2.1718 -2.1718 -2.0612 -2.0612 0.2704 0.2704 0.3441 0.3441 1.5464 1.5464 1.6962 1.6962 2.3857 2.3857 2.8137 2.8137 4.1976 4.1976 4.3822 4.3822 4.6777 4.6777 5.1083 5.1083 6.2275 6.2275 6.3739 6.3739 7.0596 7.0596 7.1535 7.1535 8.5274 8.5274 9.0019 9.0019 9.5206 9.5206 19.7421 19.7421 19.7903 19.7903 20.3924 20.3924 21.3160 21.3160 k = 0.2712-1.0933-1.9319 ( 1705 PWs) bands (ev): -2.9709 -2.9709 -2.0454 -2.0454 -1.9289 -1.9289 0.2755 0.2755 0.3598 0.3598 1.5374 1.5374 1.6867 1.6867 2.2810 2.2810 2.7142 2.7142 4.0940 4.0940 4.2905 4.2905 4.5804 4.5804 5.0339 5.0339 6.2211 6.2211 6.4010 6.4010 7.0558 7.0558 7.0845 7.0845 8.4847 8.4847 8.9187 8.9187 9.4983 9.4983 19.7095 19.7095 19.7315 19.7315 20.4090 20.4090 21.3656 21.3656 k = 0.2752-1.1094-1.9603 ( 1699 PWs) bands (ev): -2.8318 -2.8318 -1.9198 -1.9198 -1.7968 -1.7968 0.2603 0.2603 0.3552 0.3552 1.5470 1.5470 1.6972 1.6972 2.1802 2.1802 2.6195 2.6195 3.9935 3.9935 4.2029 4.2029 4.4847 4.4847 4.9580 4.9580 6.1976 6.1976 6.4190 6.4190 7.0298 7.0298 7.0736 7.0736 8.4410 8.4410 8.8378 8.8378 9.4749 9.4749 19.6684 19.6684 19.6743 19.6743 20.4376 20.4376 21.4189 21.4189 k = 0.2792-1.1255-1.9887 ( 1707 PWs) bands (ev): -2.6922 -2.6922 -1.7956 -1.7956 -1.6652 -1.6652 0.2267 0.2267 0.3315 0.3315 1.5719 1.5719 1.7253 1.7253 2.0839 2.0839 2.5302 2.5302 3.8966 3.8966 4.1199 4.1199 4.3912 4.3912 4.8823 4.8823 6.1591 6.1591 6.4215 6.4215 6.9941 6.9941 7.1101 7.1101 8.3962 8.3962 8.7598 8.7598 9.4505 9.4505 19.6187 19.6187 19.6217 19.6217 20.4749 20.4749 21.4756 21.4756 k = 0.2832-1.1416-2.0171 ( 1711 PWs) bands (ev): -2.5523 -2.5523 -1.6733 -1.6733 -1.5346 -1.5346 0.1781 0.1781 0.2914 0.2914 1.6076 1.6076 1.7669 1.7669 1.9933 1.9933 2.4475 2.4475 3.8038 3.8038 4.0421 4.0421 4.3006 4.3006 4.8081 4.8081 6.1096 6.1096 6.4043 6.4043 6.9801 6.9801 7.1612 7.1612 8.3506 8.3506 8.6851 8.6851 9.4251 9.4251 19.5658 19.5658 19.5714 19.5714 20.5183 20.5183 21.5356 21.5356 k = 0.2871-1.1576-2.0455 ( 1715 PWs) bands (ev): -2.4123 -2.4123 -1.5535 -1.5535 -1.4054 -1.4054 0.1179 0.1179 0.2383 0.2383 1.6484 1.6484 1.8120 1.8120 1.9145 1.9145 2.3730 2.3730 3.7157 3.7157 3.9699 3.9699 4.2137 4.2137 4.7368 4.7368 6.0528 6.0528 6.3680 6.3680 6.9859 6.9859 7.2230 7.2230 8.3044 8.3044 8.6146 8.6146 9.3987 9.3987 19.5154 19.5154 19.5196 19.5196 20.5651 20.5651 21.5988 21.5988 k = 0.2911-1.1737-2.0739 ( 1711 PWs) bands (ev): -2.2726 -2.2726 -1.4369 -1.4369 -1.2782 -1.2782 0.0494 0.0494 0.1753 0.1753 1.6885 1.6885 1.8014 1.8014 1.9027 1.9027 2.3088 2.3088 3.6328 3.6328 3.9039 3.9039 4.1314 4.1314 4.6698 4.6698 5.9916 5.9916 6.3168 6.3168 7.0059 7.0059 7.2925 7.2925 8.2575 8.2575 8.5489 8.5489 9.3715 9.3715 19.4670 19.4670 19.4684 19.4684 20.6129 20.6129 21.6650 21.6650 k = 0.2951-1.1898-2.1023 ( 1709 PWs) bands (ev): -2.1333 -2.1333 -1.3244 -1.3244 -1.1538 -1.1538 -0.0249 -0.0249 0.1051 0.1051 1.7221 1.7221 1.7341 1.7341 1.9553 1.9553 2.2576 2.2576 3.5559 3.5559 3.8446 3.8446 4.0547 4.0547 4.6083 4.6083 5.9285 5.9285 6.2560 6.2560 7.0336 7.0336 7.3672 7.3672 8.2102 8.2102 8.4890 8.4890 9.3435 9.3435 19.4159 19.4159 19.4239 19.4239 20.6593 20.6593 21.7341 21.7341 k = 0.2991-1.2059-2.1307 ( 1707 PWs) bands (ev): -1.9949 -1.9949 -1.2168 -1.2168 -1.0329 -1.0329 -0.1028 -0.1028 0.0298 0.0298 1.6663 1.6663 1.7442 1.7442 2.0125 2.0125 2.2220 2.2220 3.4853 3.4853 3.7921 3.7921 3.9853 3.9853 4.5541 4.5541 5.8652 5.8652 6.1896 6.1896 7.0636 7.0636 7.4455 7.4455 8.1626 8.1626 8.4361 8.4361 9.3149 9.3149 19.3660 19.3660 19.3831 19.3831 20.7017 20.7017 21.7347 21.7347 k = 0.3031-1.2220-2.1591 ( 1711 PWs) bands (ev): -1.8577 -1.8577 -1.1154 -1.1154 -0.9168 -0.9168 -0.1827 -0.1827 -0.0490 -0.0490 1.6044 1.6044 1.7522 1.7522 2.0651 2.0651 2.2025 2.2025 3.4214 3.4214 3.7466 3.7466 3.9249 3.9249 4.5088 4.5088 5.8029 5.8029 6.1204 6.1204 7.0917 7.0917 7.5259 7.5259 8.1150 8.1150 8.3913 8.3913 9.2855 9.2855 19.3180 19.3180 19.3459 19.3459 20.7373 20.7373 21.7157 21.7157 k = 0.3071-1.2380-2.1876 ( 1715 PWs) bands (ev): -1.7224 -1.7224 -1.0213 -1.0213 -0.8069 -0.8069 -0.2629 -0.2629 -0.1299 -0.1299 1.5499 1.5499 1.7477 1.7477 2.1088 2.1088 2.1962 2.1962 3.3641 3.3641 3.7075 3.7075 3.8759 3.8759 4.4746 4.4746 5.7430 5.7430 6.0501 6.0501 7.1147 7.1147 7.6071 7.6071 8.0679 8.0679 8.3559 8.3559 9.2556 9.2556 19.2724 19.2724 19.3127 19.3127 20.7634 20.7634 21.7102 21.7102 k = 0.3111-1.2541-2.2160 ( 1717 PWs) bands (ev): -1.5897 -1.5897 -0.9358 -0.9358 -0.7054 -0.7054 -0.3411 -0.3411 -0.2122 -0.2122 1.5037 1.5037 1.7359 1.7359 2.1410 2.1410 2.1977 2.1977 3.3124 3.3124 3.6740 3.6740 3.8408 3.8408 4.4536 4.4536 5.6866 5.6866 5.9801 5.9801 7.1302 7.1302 7.6876 7.6876 8.0224 8.0224 8.3310 8.3310 9.2252 9.2252 19.2295 19.2295 19.2835 19.2835 20.7781 20.7781 21.7205 21.7205 k = 0.3151-1.2702-2.2444 ( 1717 PWs) bands (ev): -1.4605 -1.4605 -0.8601 -0.8601 -0.6185 -0.6185 -0.4118 -0.4118 -0.2949 -0.2949 1.4665 1.4665 1.7228 1.7228 2.1602 2.1602 2.2012 2.2012 3.2651 3.2651 3.6447 3.6447 3.8217 3.8217 4.4479 4.4479 5.6347 5.6347 5.9111 5.9111 7.1366 7.1366 7.7637 7.7637 7.9816 7.9816 8.3172 8.3172 9.1946 9.1946 19.1897 19.1897 19.2586 19.2586 20.7804 20.7804 21.7469 21.7469 k = 0.3190-1.2863-2.2728 ( 1725 PWs) bands (ev): -1.3364 -1.3364 -0.7956 -0.7956 -0.5740 -0.5740 -0.4468 -0.4468 -0.3776 -0.3776 1.4383 1.4383 1.7132 1.7132 2.1661 2.1661 2.2027 2.2027 3.2207 3.2207 3.6183 3.6183 3.8196 3.8196 4.4591 4.4591 5.5885 5.5885 5.8439 5.8439 7.1332 7.1332 7.8215 7.8215 7.9592 7.9592 8.3147 8.3147 9.1638 9.1638 19.1529 19.1529 19.2381 19.2381 20.7708 20.7708 21.7890 21.7890 k = 0.3230-1.3023-2.3012 ( 1727 PWs) bands (ev): -1.2202 -1.2202 -0.7435 -0.7435 -0.6085 -0.6085 -0.4596 -0.4596 -0.4085 -0.4085 1.4191 1.4191 1.7110 1.7110 2.1601 2.1601 2.2005 2.2005 3.1785 3.1785 3.5938 3.5938 3.8338 3.8338 4.4879 4.4879 5.5493 5.5493 5.7789 5.7789 7.1199 7.1199 7.8264 7.8264 7.9894 7.9894 8.3230 8.3230 9.1331 9.1331 19.1195 19.1195 19.2221 19.2221 20.7509 20.7509 21.8449 21.8449 k = 0.3270-1.3184-2.3296 ( 1721 PWs) bands (ev): -1.1178 -1.1178 -0.7052 -0.7052 -0.6620 -0.6620 -0.5394 -0.5394 -0.3522 -0.3522 1.4077 1.4077 1.7183 1.7183 2.1444 2.1444 2.1940 2.1940 3.1387 3.1387 3.5707 3.5707 3.8616 3.8616 4.5340 4.5340 5.5187 5.5187 5.7168 5.7168 7.0977 7.0977 7.7933 7.7933 8.0574 8.0574 8.3407 8.3407 9.1026 9.1026 19.0896 19.0896 19.2108 19.2108 20.7227 20.7227 21.9124 21.9124 k = 0.3310-1.3345-2.3580 ( 1717 PWs) bands (ev): -1.0433 -1.0433 -0.6975 -0.6975 -0.6869 -0.6869 -0.6109 -0.6109 -0.3025 -0.3025 1.4028 1.4028 1.7363 1.7363 2.1214 2.1214 2.1841 2.1841 3.1023 3.1023 3.5494 3.5494 3.8993 3.8993 4.5961 4.5961 5.4981 5.4981 5.6580 5.6580 7.0678 7.0678 7.7504 7.7504 8.1345 8.1345 8.3662 8.3662 9.0727 9.0727 19.0633 19.0633 19.2043 19.2043 20.6884 20.6884 21.9894 21.9894 k = 0.3350-1.3506-2.3864 ( 1719 PWs) bands (ev): -1.0194 -1.0194 -0.7221 -0.7221 -0.6891 -0.6891 -0.6401 -0.6401 -0.2634 -0.2634 1.4018 1.4018 1.7646 1.7646 2.0940 2.0940 2.1724 2.1724 3.0710 3.0710 3.5305 3.5305 3.9425 3.9425 4.6722 4.6722 5.4894 5.4894 5.6031 5.6031 7.0315 7.0315 7.7050 7.7050 8.2136 8.2136 8.3976 8.3976 9.0436 9.0436 19.0406 19.0406 19.2026 19.2026 20.6497 20.6497 22.0737 22.0737 k = 0.6650-1.2895-2.3508 ( 1719 PWs) bands (ev): -1.0194 -1.0194 -0.7221 -0.7221 -0.6891 -0.6891 -0.6401 -0.6401 -0.2634 -0.2634 1.4018 1.4018 1.7646 1.7646 2.0940 2.0940 2.1724 2.1724 3.0710 3.0710 3.5305 3.5305 3.9425 3.9425 4.6722 4.6722 5.4894 5.4894 5.6031 5.6031 7.0315 7.0315 7.7050 7.7050 8.2136 8.2136 8.3976 8.3976 9.0436 9.0436 19.0406 19.0406 19.2026 19.2026 20.6497 20.6497 22.0737 22.0737 k = 0.6611-1.2573-2.3508 ( 1723 PWs) bands (ev): -1.0463 -1.0463 -0.7928 -0.7928 -0.6427 -0.6427 -0.6371 -0.6371 -0.2352 -0.2352 1.4018 1.4018 1.8007 1.8007 2.0648 2.0648 2.1617 2.1617 3.0469 3.0469 3.5154 3.5154 3.9868 3.9868 4.7586 4.7586 5.4941 5.4941 5.5536 5.5536 6.9911 6.9911 7.6596 7.6596 8.2914 8.2914 8.4324 8.4324 9.0162 9.0162 19.0218 19.0218 19.2059 19.2059 20.6086 20.6086 22.1623 22.1623 k = 0.6571-1.2252-2.3508 ( 1719 PWs) bands (ev): -1.0994 -1.0994 -0.8677 -0.8677 -0.6497 -0.6497 -0.5672 -0.5672 -0.2155 -0.2155 1.3999 1.3999 1.8405 1.8405 2.0352 2.0352 2.1560 2.1560 3.0316 3.0316 3.5051 3.5051 4.0295 4.0295 4.8537 4.8537 5.5097 5.5097 5.5133 5.5133 6.9474 6.9474 7.6143 7.6143 8.3684 8.3684 8.4691 8.4691 8.9908 8.9908 19.0065 19.0065 19.2141 19.2141 20.5659 20.5659 22.2550 22.2550 k = 0.6532-1.1930-2.3508 ( 1719 PWs) bands (ev): -1.1627 -1.1627 -0.9424 -0.9424 -0.6642 -0.6642 -0.4981 -0.4981 -0.2010 -0.2010 1.3935 1.3935 1.8769 1.8769 2.0059 2.0059 2.1620 2.1620 3.0263 3.0263 3.5010 3.5010 4.0684 4.0684 4.9544 4.9544 5.4731 5.4731 5.5479 5.5479 6.9014 6.9014 7.5694 7.5694 8.4442 8.4442 8.5058 8.5058 8.9682 8.9682 18.9949 18.9949 19.2272 19.2272 20.5222 20.5222 22.3506 22.3506 k = 0.6493-1.1609-2.3508 ( 1715 PWs) bands (ev): -1.2299 -1.2299 -1.0160 -1.0160 -0.6856 -0.6856 -0.4408 -0.4408 -0.1862 -0.1862 1.3806 1.3806 1.9005 1.9005 1.9770 1.9770 2.1877 2.1877 3.0323 3.0323 3.5042 3.5042 4.1026 4.1026 5.0559 5.0559 5.4475 5.4475 5.5982 5.5982 6.8544 6.8544 7.5253 7.5253 8.5185 8.5185 8.5403 8.5403 8.9498 8.9498 18.9866 18.9866 19.2453 19.2453 20.4783 20.4783 22.4478 22.4478 k = 0.6454-1.1287-2.3508 ( 1717 PWs) bands (ev): -1.2983 -1.2983 -1.0883 -1.0883 -0.7129 -0.7129 -0.4040 -0.4040 -0.1642 -0.1642 1.3605 1.3605 1.9068 1.9068 1.9479 1.9479 2.2359 2.2359 3.0496 3.0496 3.5159 3.5159 4.1322 4.1322 5.1488 5.1488 5.4410 5.4410 5.6637 5.6637 6.8073 6.8073 7.4822 7.4822 8.5701 8.5701 8.5912 8.5912 8.9375 8.9375 18.9818 18.9818 19.2685 19.2685 20.4348 20.4348 22.5454 22.5454 k = 0.6414-1.0966-2.3508 ( 1717 PWs) bands (ev): -1.3667 -1.3667 -1.1591 -1.1591 -0.7449 -0.7449 -0.3911 -0.3911 -0.1318 -0.1318 1.3334 1.3334 1.8989 1.8989 1.9178 1.9178 2.3020 2.3020 3.0772 3.0772 3.5370 3.5370 4.1588 4.1588 5.2155 5.2155 5.4702 5.4702 5.7432 5.7432 6.7610 6.7610 7.4399 7.4399 8.5924 8.5924 8.6620 8.6620 8.9331 8.9331 18.9803 18.9803 19.2967 19.2967 20.3921 20.3921 22.6418 22.6418 k = 0.6375-1.0644-2.3508 ( 1717 PWs) bands (ev): -1.4343 -1.4343 -1.2284 -1.2284 -0.7807 -0.7807 -0.3977 -0.3977 -0.0928 -0.0928 1.3002 1.3002 1.8818 1.8818 1.8860 1.8860 2.3790 2.3790 3.1130 3.1130 3.5683 3.5683 4.1844 4.1844 5.2462 5.2462 5.5443 5.5443 5.8350 5.8350 6.7169 6.7169 7.3994 7.3994 8.6053 8.6053 8.7308 8.7308 8.9388 8.9388 18.9819 18.9819 19.3299 19.3299 20.3507 20.3507 22.7350 22.7350 k = 0.6336-1.0322-2.3508 ( 1717 PWs) bands (ev): -1.5009 -1.5009 -1.2960 -1.2960 -0.8194 -0.8194 -0.4173 -0.4173 -0.0532 -0.0532 1.2621 1.2621 1.8518 1.8518 1.8594 1.8594 2.4612 2.4612 3.1541 3.1541 3.6102 3.6102 4.2120 4.2120 5.2567 5.2567 5.6458 5.6458 5.9373 5.9373 6.6764 6.6764 7.3605 7.3605 8.6082 8.6082 8.7977 8.7977 8.9546 8.9546 18.9863 18.9863 19.3682 19.3682 20.3109 20.3109 22.8225 22.8225 k = 0.6296-1.0001-2.3508 ( 1723 PWs) bands (ev): -1.5662 -1.5662 -1.3620 -1.3620 -0.8603 -0.8603 -0.4450 -0.4450 -0.0171 -0.0171 1.2202 1.2202 1.8154 1.8154 1.8336 1.8336 2.5450 2.5450 3.1967 3.1967 3.6631 3.6631 4.2447 4.2447 5.2633 5.2633 5.7566 5.7566 6.0481 6.0481 6.6420 6.6420 7.3236 7.3236 8.6023 8.6023 8.8624 8.8624 8.9789 8.9789 18.9934 18.9934 19.4113 19.4113 20.2732 20.2732 22.9000 22.9000 k = 0.6257-0.9679-2.3508 ( 1719 PWs) bands (ev): -1.6300 -1.6300 -1.4262 -1.4262 -0.9028 -0.9028 -0.4778 -0.4778 0.0137 0.0137 1.1758 1.1758 1.7769 1.7769 1.8056 1.8056 2.6278 2.6278 3.2373 3.2373 3.7267 3.7267 4.2855 4.2855 5.2736 5.2736 5.8658 5.8658 6.1655 6.1655 6.6172 6.6172 7.2892 7.2892 8.5902 8.5902 8.9251 8.9251 9.0094 9.0094 19.0030 19.0030 19.4593 19.4593 20.2379 20.2379 22.9624 22.9624 k = 0.6218-0.9358-2.3508 ( 1721 PWs) bands (ev): -1.6922 -1.6922 -1.4886 -1.4886 -0.9463 -0.9463 -0.5138 -0.5138 0.0383 0.0383 1.1296 1.1296 1.7368 1.7368 1.7760 1.7760 2.7073 2.7073 3.2726 3.2726 3.8009 3.8009 4.3369 4.3369 5.2908 5.2908 5.9645 5.9645 6.2877 6.2877 6.6080 6.6080 7.2578 7.2578 8.5740 8.5740 8.9854 8.9854 9.0436 9.0436 19.0144 19.0144 19.5121 19.5121 20.2053 20.2053 23.0023 23.0023 k = 0.6179-0.9036-2.3508 ( 1711 PWs) bands (ev): -1.7527 -1.7527 -1.5492 -1.5492 -0.9903 -0.9903 -0.5520 -0.5520 0.0568 0.0568 1.0824 1.0824 1.6954 1.6954 1.7452 1.7452 2.7822 2.7822 3.3001 3.3001 3.8849 3.8849 4.4005 4.4005 5.3166 5.3166 6.0428 6.0428 6.4125 6.4125 6.6231 6.6231 7.2308 7.2308 8.5555 8.5555 9.0436 9.0436 9.0801 9.0801 19.0275 19.0275 19.5695 19.5695 20.1759 20.1759 22.9477 22.9477 k = 0.6139-0.8715-2.3508 ( 1711 PWs) bands (ev): -1.8115 -1.8115 -1.6080 -1.6080 -1.0345 -1.0345 -0.5915 -0.5915 0.0693 0.0693 1.0347 1.0347 1.6532 1.6532 1.7136 1.7136 2.8510 2.8510 3.3189 3.3189 3.9779 3.9779 4.4765 4.4765 5.3519 5.3519 6.0924 6.0924 6.5372 6.5372 6.6695 6.6695 7.2096 7.2096 8.5357 8.5357 9.0995 9.0995 9.1175 9.1175 19.0416 19.0416 19.6313 19.6313 20.1501 20.1501 22.8443 22.8443 k = 0.6100-0.8393-2.3508 ( 1713 PWs) bands (ev): -1.8686 -1.8686 -1.6649 -1.6649 -1.0787 -1.0787 -0.6318 -0.6318 0.0763 0.0763 0.9871 0.9871 1.6106 1.6106 1.6813 1.6813 2.9130 2.9130 3.3288 3.3288 4.0791 4.0791 4.5640 4.5640 5.3971 5.3971 6.1130 6.1130 6.6578 6.6578 6.7472 6.7472 7.1977 7.1977 8.5157 8.5157 9.1530 9.1530 9.1552 9.1552 19.0562 19.0562 19.6974 19.6974 20.1283 20.1283 22.6885 22.6885 k = 0.6061-0.8071-2.3508 ( 1709 PWs) bands (ev): -1.9237 -1.9237 -1.7199 -1.7199 -1.1224 -1.1224 -0.6722 -0.6722 0.0785 0.0785 0.9399 0.9399 1.5680 1.5680 1.6486 1.6486 2.9674 2.9674 3.3309 3.3309 4.1875 4.1875 4.6614 4.6614 5.4520 5.4520 6.1127 6.1127 6.7673 6.7673 6.8479 6.8479 7.2018 7.2018 8.4962 8.4962 9.1924 9.1924 9.2047 9.2047 19.0709 19.0709 19.7673 19.7673 20.1109 20.1109 22.4920 22.4920 k = 0.6021-0.7750-2.3508 ( 1715 PWs) bands (ev): -1.9771 -1.9771 -1.7731 -1.7731 -1.1655 -1.1655 -0.7126 -0.7126 0.0765 0.0765 0.8933 0.8933 1.5257 1.5257 1.6156 1.6156 3.0142 3.0142 3.3263 3.3263 4.3022 4.3022 4.7665 4.7665 5.5159 5.5159 6.1005 6.1005 6.8539 6.8539 6.9622 6.9622 7.2330 7.2330 8.4780 8.4780 9.2291 9.2291 9.2539 9.2539 19.0850 19.0850 19.8407 19.8407 20.0985 20.0985 22.2730 22.2730 k = 0.5982-0.7428-2.3508 ( 1715 PWs) bands (ev): -2.0286 -2.0286 -1.8244 -1.8244 -1.2079 -1.2079 -0.7525 -0.7525 0.0708 0.0708 0.8475 0.8475 1.4839 1.4839 1.5827 1.5827 3.0533 3.0533 3.3164 3.3164 4.4220 4.4220 4.8773 4.8773 5.5872 5.5872 6.0837 6.0837 6.9081 6.9081 7.0834 7.0834 7.3010 7.3010 8.4616 8.4616 9.2652 9.2652 9.3011 9.3011 19.0979 19.0979 19.9169 19.9169 20.0913 20.0913 22.0435 22.0435 k = 0.5943-0.7107-2.3508 ( 1715 PWs) bands (ev): -2.0782 -2.0782 -1.8737 -1.8737 -1.2493 -1.2493 -0.7918 -0.7918 0.0622 0.0622 0.8029 0.8029 1.4429 1.4429 1.5499 1.5499 3.0851 3.0851 3.3024 3.3024 4.5459 4.5459 4.9915 4.9915 5.6628 5.6628 6.0682 6.0682 6.9344 6.9344 7.2068 7.2068 7.4007 7.4007 8.4480 8.4480 9.3002 9.3002 9.3461 9.3461 19.1090 19.1090 19.9950 19.9950 20.0897 20.0897 21.8108 21.8108 k = 0.5904-0.6785-2.3508 ( 1715 PWs) bands (ev): -2.1258 -2.1258 -1.9210 -1.9210 -1.2896 -1.2896 -0.8303 -0.8303 0.0511 0.0511 0.7595 0.7595 1.4028 1.4028 1.5174 1.5174 3.1102 3.1102 3.2854 3.2854 4.6728 4.6728 5.1070 5.1070 5.7370 5.7370 6.0614 6.0614 6.9461 6.9461 7.3290 7.3290 7.5190 7.5190 8.4380 8.4380 9.3344 9.3344 9.3890 9.3890 19.1181 19.1181 20.0735 20.0735 20.0939 20.0939 21.5800 21.5800 k = 0.5864-0.6464-2.3508 ( 1717 PWs) bands (ev): -2.1715 -2.1715 -1.9665 -1.9665 -1.3287 -1.3287 -0.8678 -0.8678 0.0380 0.0380 0.7174 0.7174 1.3638 1.3638 1.4854 1.4854 3.1291 3.1291 3.2661 3.2661 4.8012 4.8012 5.2219 5.2219 5.7985 5.7985 6.0748 6.0748 6.9530 6.9530 7.4473 7.4473 7.6462 7.6462 8.4330 8.4330 9.3677 9.3677 9.4301 9.4301 19.1247 19.1247 20.1039 20.1039 20.1493 20.1493 21.3558 21.3558 k = 0.5825-0.6142-2.3508 ( 1715 PWs) bands (ev): -2.2152 -2.2152 -2.0099 -2.0099 -1.3666 -1.3666 -0.9042 -0.9042 0.0235 0.0235 0.6769 0.6769 1.3260 1.3260 1.4541 1.4541 3.1427 3.1427 3.2455 3.2455 4.9299 4.9299 5.3342 5.3342 5.8346 5.8346 6.1215 6.1215 6.9607 6.9607 7.5589 7.5589 7.7774 7.7774 8.4346 8.4346 9.4003 9.4003 9.4694 9.4694 19.1287 19.1287 20.1196 20.1196 20.2160 20.2160 21.1460 21.1460 k = 0.5786-0.5821-2.3508 ( 1717 PWs) bands (ev): -2.2570 -2.2570 -2.0514 -2.0514 -1.4030 -1.4030 -0.9394 -0.9394 0.0078 0.0078 0.6378 0.6378 1.2896 1.2896 1.4236 1.4236 3.1516 3.1516 3.2240 3.2240 5.0568 5.0568 5.4420 5.4420 5.8471 5.8471 6.2003 6.2003 6.9723 6.9723 7.6603 7.6603 7.9092 7.9092 8.4451 8.4451 9.4322 9.4322 9.5069 9.5069 19.1301 19.1301 20.1406 20.1406 20.2590 20.2590 20.9657 20.9657 k = 0.5746-0.5499-2.3508 ( 1719 PWs) bands (ev): -2.2968 -2.2968 -2.0909 -2.0909 -1.4380 -1.4380 -0.9732 -0.9732 -0.0087 -0.0087 0.6004 0.6004 1.2545 1.2545 1.3939 1.3939 3.1567 3.1567 3.2020 3.2020 5.1790 5.1790 5.5433 5.5433 5.8496 5.8496 6.2986 6.2986 6.9900 6.9900 7.7484 7.7484 8.0402 8.0402 8.4670 8.4670 9.4637 9.4637 9.5429 9.5429 19.1290 19.1290 20.1663 20.1663 20.2476 20.2476 20.8452 20.8452 k = 0.5707-0.5177-2.3508 ( 1716 PWs) bands (ev): -2.3346 -2.3346 -2.1285 -2.1285 -1.4714 -1.4714 -1.0056 -1.0056 -0.0255 -0.0255 0.5646 0.5646 1.2209 1.2209 1.3653 1.3653 3.1586 3.1586 3.1800 3.1800 5.2922 5.2922 5.6366 5.6366 5.8542 5.8542 6.4073 6.4073 7.0154 7.0154 7.8205 7.8205 8.1692 8.1692 8.5022 8.5022 9.4951 9.4951 9.5775 9.5775 19.1257 19.1257 20.1547 20.1547 20.1961 20.1961 20.8080 20.8080 k = 0.5668-0.4856-2.3508 ( 1714 PWs) bands (ev): -2.3703 -2.3703 -2.1640 -2.1640 -1.5033 -1.5033 -1.0366 -1.0366 -0.0426 -0.0426 0.5306 0.5306 1.1889 1.1889 1.3377 1.3377 3.1578 3.1578 3.1582 3.1582 5.3894 5.3894 5.7201 5.7201 5.8712 5.8712 6.5209 6.5209 7.0494 7.0494 7.8752 7.8752 8.2950 8.2950 8.5512 8.5512 9.5266 9.5266 9.6109 9.6109 19.1205 19.1205 20.0011 20.0011 20.2289 20.2289 20.8081 20.8081 k = 0.5629-0.4534-2.3508 ( 1714 PWs) bands (ev): -2.4041 -2.4041 -2.1975 -2.1975 -1.5336 -1.5336 -1.0660 -1.0660 -0.0596 -0.0596 0.4984 0.4984 1.1585 1.1585 1.3114 1.3114 3.1369 3.1369 3.1551 3.1551 5.4621 5.4621 5.7930 5.7930 5.9100 5.9100 6.6367 6.6367 7.0927 7.0927 7.9138 7.9138 8.4168 8.4168 8.6121 8.6121 9.5585 9.5585 9.6433 9.6433 19.1138 19.1138 19.8217 19.8217 20.2624 20.2624 20.6227 20.6227 k = 0.5589-0.4213-2.3508 ( 1714 PWs) bands (ev): -2.4359 -2.4359 -2.2290 -2.2290 -1.5622 -1.5622 -1.0939 -1.0939 -0.0764 -0.0764 0.4679 0.4679 1.1298 1.1298 1.2864 1.2864 3.1162 3.1162 3.1507 3.1507 5.5060 5.5060 5.8548 5.8548 5.9753 5.9753 6.7528 6.7528 7.1450 7.1450 7.9389 7.9389 8.5338 8.5338 8.6812 8.6812 9.5912 9.5912 9.6749 9.6749 19.1059 19.1059 19.6352 19.6352 20.2868 20.2868 20.4482 20.4482 k = 0.5550-0.3891-2.3508 ( 1710 PWs) bands (ev): -2.4656 -2.4656 -2.2585 -2.2585 -1.5890 -1.5890 -1.1200 -1.1200 -0.0927 -0.0927 0.4393 0.4393 1.1028 1.1028 1.2627 1.2627 3.0964 3.0964 3.1451 3.1451 5.5259 5.5259 5.9057 5.9057 6.0623 6.0623 6.8677 6.8677 7.2056 7.2056 7.9542 7.9542 8.6451 8.6451 8.7543 8.7543 9.6251 9.6251 9.7060 9.7060 19.0971 19.0971 19.4496 19.4496 20.2154 20.2154 20.3663 20.3663 k = 0.5511-0.3570-2.3508 ( 1710 PWs) bands (ev): -2.4933 -2.4933 -2.2860 -2.2860 -1.6142 -1.6142 -1.1446 -1.1446 -0.1085 -0.1085 0.4126 0.4126 1.0776 1.0776 1.2404 1.2404 3.0775 3.0775 3.1388 3.1388 5.5305 5.5305 5.9466 5.9466 6.1616 6.1616 6.9800 6.9800 7.2729 7.2729 7.9626 7.9626 8.7501 8.7501 8.8275 8.8275 9.6604 9.6604 9.7367 9.7367 19.0877 19.0877 19.2690 19.2690 20.0552 20.0552 20.1964 20.1964 k = 0.5471-0.3248-2.3508 ( 1706 PWs) bands (ev): -2.5190 -2.5190 -2.3115 -2.3115 -1.6376 -1.6376 -1.1674 -1.1674 -0.1235 -0.1235 0.3878 0.3878 1.0541 1.0541 1.2196 1.2196 3.0597 3.0597 3.1320 3.1320 5.5265 5.5265 5.9788 5.9788 6.2659 6.2659 7.0888 7.0888 7.3450 7.3450 7.9665 7.9665 8.8479 8.8479 8.8979 8.8979 9.6974 9.6974 9.7673 9.7673 19.0781 19.0781 19.0957 19.0957 19.8926 19.8926 20.0336 20.0336 k = 0.5432-0.2926-2.3508 ( 1710 PWs) bands (ev): -2.5426 -2.5426 -2.3350 -2.3350 -1.6592 -1.6592 -1.1885 -1.1885 -0.1377 -0.1377 0.3648 0.3648 1.0324 1.0324 1.2003 1.2003 3.0431 3.0431 3.1249 3.1249 5.5183 5.5183 6.0035 6.0035 6.3701 6.3701 7.1928 7.1928 7.4199 7.4199 7.9676 7.9676 8.9378 8.9378 8.9632 8.9632 9.7360 9.7360 9.7980 9.7980 18.9312 18.9312 19.0684 19.0684 19.7374 19.7374 19.8795 19.8795 k = 0.5393-0.2605-2.3508 ( 1710 PWs) bands (ev): -2.5642 -2.5642 -2.3564 -2.3564 -1.6789 -1.6789 -1.2078 -1.2078 -0.1509 -0.1509 0.3439 0.3439 1.0125 1.0125 1.1825 1.1825 3.0277 3.0277 3.1179 3.1179 5.5081 5.5081 6.0222 6.0222 6.4715 6.4715 7.2911 7.2911 7.4954 7.4954 7.9672 7.9672 9.0192 9.0192 9.0223 9.0223 9.7760 9.7760 9.8288 9.8288 18.7768 18.7768 19.0588 19.0588 19.5917 19.5917 19.7351 19.7351 k = 0.5354-0.2283-2.3508 ( 1714 PWs) bands (ev): -2.5838 -2.5838 -2.3758 -2.3758 -1.6969 -1.6969 -1.2254 -1.2254 -0.1631 -0.1631 0.3248 0.3248 0.9944 0.9944 1.1663 1.1663 3.0136 3.0136 3.1110 3.1110 5.4971 5.4971 6.0361 6.0361 6.5678 6.5678 7.3825 7.3825 7.5696 7.5696 7.9661 7.9661 9.0739 9.0739 9.0921 9.0921 9.8169 9.8169 9.8596 9.8596 18.6337 18.6337 19.0496 19.0496 19.4567 19.4567 19.6013 19.6013 k = 0.5314-0.1962-2.3508 ( 1714 PWs) bands (ev): -2.6013 -2.6013 -2.3931 -2.3931 -1.7130 -1.7130 -1.2412 -1.2412 -0.1742 -0.1742 0.3078 0.3078 0.9782 0.9782 1.1518 1.1518 3.0008 3.0008 3.1045 3.1045 5.4864 5.4864 6.0463 6.0463 6.6577 6.6577 7.4662 7.4662 7.6407 7.6407 7.9651 7.9651 9.1185 9.1185 9.1557 9.1557 9.8578 9.8578 9.8902 9.8902 18.5028 18.5028 19.0408 19.0408 19.3335 19.3335 19.4791 19.4791 k = 0.5275-0.1640-2.3508 ( 1708 PWs) bands (ev): -2.6167 -2.6167 -2.4084 -2.4084 -1.7272 -1.7272 -1.2551 -1.2551 -0.1841 -0.1841 0.2927 0.2927 0.9639 0.9639 1.1389 1.1389 2.9895 2.9895 3.0985 3.0985 5.4763 5.4763 6.0536 6.0536 6.7398 6.7398 7.5412 7.5412 7.7072 7.7072 7.9649 7.9649 9.1560 9.1560 9.2103 9.2103 9.8976 9.8976 9.9200 9.9200 18.3849 18.3849 19.0323 19.0323 19.2230 19.2230 19.3692 19.3692 k = 0.5236-0.1319-2.3508 ( 1710 PWs) bands (ev): -2.6301 -2.6301 -2.4217 -2.4217 -1.7396 -1.7396 -1.2672 -1.2672 -0.1928 -0.1928 0.2796 0.2796 0.9515 0.9515 1.1277 1.1277 2.9796 2.9796 3.0931 3.0931 5.4671 5.4671 6.0587 6.0587 6.8130 6.8130 7.6063 7.6063 7.7676 7.7676 7.9657 7.9657 9.1868 9.1868 9.2559 9.2559 9.9349 9.9349 9.9484 9.9484 18.2809 18.2809 19.0235 19.0235 19.1266 19.1266 19.2722 19.2722 k = 0.5196-0.0997-2.3508 ( 1710 PWs) bands (ev): -2.6414 -2.6414 -2.4329 -2.4329 -1.7501 -1.7501 -1.2774 -1.2774 -0.2003 -0.2003 0.2685 0.2685 0.9410 0.9410 1.1182 1.1182 2.9712 2.9712 3.0883 3.0883 5.4590 5.4590 6.0622 6.0622 6.8765 6.8765 7.6609 7.6609 7.8208 7.8208 7.9681 7.9681 9.2116 9.2116 9.2933 9.2933 9.9689 9.9689 9.9746 9.9746 18.1916 18.1916 19.0089 19.0089 19.0509 19.0509 19.1889 19.1889 k = 0.5157-0.0675-2.3508 ( 1706 PWs) bands (ev): -2.6507 -2.6507 -2.4421 -2.4421 -1.7586 -1.7586 -1.2858 -1.2858 -0.2064 -0.2064 0.2594 0.2594 0.9323 0.9323 1.1103 1.1103 2.9643 2.9643 3.0843 3.0843 5.4523 5.4523 6.0647 6.0647 6.9296 6.9296 7.7044 7.7044 7.8657 7.8657 7.9720 7.9720 9.2310 9.2310 9.3228 9.3228 9.9973 9.9973 9.9986 9.9986 18.1175 18.1175 18.9623 18.9623 19.0227 19.0227 19.1200 19.1200 k = 0.5118-0.0354-2.3508 ( 1704 PWs) bands (ev): -2.6579 -2.6579 -2.4493 -2.4493 -1.7653 -1.7653 -1.2924 -1.2924 -0.2112 -0.2112 0.2524 0.2524 0.9256 0.9256 1.1043 1.1043 2.9589 2.9589 3.0812 3.0812 5.4469 5.4469 6.0662 6.0662 6.9715 6.9715 7.7367 7.7367 7.9015 7.9015 7.9769 7.9769 9.2455 9.2455 9.3450 9.3450 10.0163 10.0163 10.0224 10.0224 18.0592 18.0592 18.9106 18.9106 19.0155 19.0155 19.0657 19.0657 k = 0.5079-0.0032-2.3508 ( 1706 PWs) bands (ev): -2.6630 -2.6630 -2.4544 -2.4544 -1.7701 -1.7701 -1.2971 -1.2971 -0.2146 -0.2146 0.2473 0.2473 0.9208 0.9208 1.0999 1.0999 2.9550 2.9550 3.0789 3.0789 5.4431 5.4431 6.0672 6.0672 7.0018 7.0018 7.7587 7.7587 7.9275 7.9275 7.9819 7.9819 9.2555 9.2555 9.3605 9.3605 10.0304 10.0304 10.0400 10.0400 18.0172 18.0172 18.8720 18.8720 19.0116 19.0116 19.0267 19.0267 k = 0.5039 0.0289-2.3508 ( 1708 PWs) bands (ev): -2.6662 -2.6662 -2.4574 -2.4574 -1.7729 -1.7729 -1.2999 -1.2999 -0.2167 -0.2167 0.2442 0.2442 0.9180 0.9180 1.0973 1.0973 2.9527 2.9527 3.0775 3.0775 5.4408 5.4408 6.0677 6.0677 7.0201 7.0201 7.7712 7.7712 7.9433 7.9433 7.9857 7.9857 9.2614 9.2614 9.3696 9.3696 10.0391 10.0391 10.0508 10.0508 17.9919 17.9919 18.8486 18.8486 19.0032 19.0032 19.0094 19.0094 k = 0.5000 0.0611-2.3508 ( 1710 PWs) bands (ev): -2.6672 -2.6672 -2.4585 -2.4585 -1.7739 -1.7739 -1.3008 -1.3008 -0.2174 -0.2174 0.2432 0.2432 0.9170 0.9170 1.0964 1.0964 2.9519 2.9519 3.0770 3.0770 5.4400 5.4400 6.0678 6.0678 7.0263 7.0263 7.7752 7.7752 7.9486 7.9486 7.9871 7.9871 9.2633 9.2633 9.3727 9.3727 10.0420 10.0420 10.0544 10.0544 17.9835 17.9835 18.8407 18.8407 18.9953 18.9953 19.0087 19.0087 k = 0.5000 0.0611-2.3508 ( 1710 PWs) bands (ev): -2.6672 -2.6672 -2.4585 -2.4585 -1.7739 -1.7739 -1.3008 -1.3008 -0.2174 -0.2174 0.2432 0.2432 0.9170 0.9170 1.0964 1.0964 2.9519 2.9519 3.0770 3.0770 5.4400 5.4400 6.0678 6.0678 7.0263 7.0263 7.7752 7.7752 7.9486 7.9486 7.9871 7.9871 9.2633 9.2633 9.3727 9.3727 10.0420 10.0420 10.0544 10.0544 17.9835 17.9835 18.8407 18.8407 18.9953 18.9953 19.0087 19.0087 k = 0.5275 0.0644-2.3449 ( 1709 PWs) bands (ev): -2.6673 -2.6673 -2.4589 -2.4589 -1.7750 -1.7750 -1.2976 -1.2976 -0.2222 -0.2222 0.2496 0.2496 0.8777 0.8777 1.1377 1.1377 2.9331 2.9331 3.0894 3.0894 5.4344 5.4344 6.0786 6.0786 7.0270 7.0270 7.7712 7.7712 7.9152 7.9152 8.0215 8.0215 9.2501 9.2501 9.3858 9.3858 9.9979 9.9979 10.0969 10.0969 17.9842 17.9842 18.8259 18.8259 19.0066 19.0066 19.0174 19.0174 k = 0.5550 0.0678-2.3389 ( 1705 PWs) bands (ev): -2.6676 -2.6676 -2.4602 -2.4602 -1.7783 -1.7783 -1.2880 -1.2880 -0.2356 -0.2356 0.2681 0.2681 0.8026 0.8026 1.2190 1.2190 2.8897 2.8897 3.1135 3.1135 5.4196 5.4196 6.1094 6.1094 7.0294 7.0294 7.7593 7.7593 7.8691 7.8691 8.0710 8.0710 9.2203 9.2203 9.4150 9.4150 9.9465 9.9465 10.1431 10.1431 17.9864 17.9864 18.7920 18.7920 19.0209 19.0209 19.0524 19.0524 k = 0.5825 0.0712-2.3330 ( 1705 PWs) bands (ev): -2.6683 -2.6683 -2.4622 -2.4622 -1.7833 -1.7833 -1.2726 -1.2726 -0.2559 -0.2559 0.2966 0.2966 0.7210 0.7210 1.3111 1.3111 2.8351 2.8351 3.1355 3.1355 5.3994 5.3994 6.1559 6.1559 7.0332 7.0332 7.7400 7.7400 7.8229 7.8229 8.1226 8.1226 9.1840 9.1840 9.4502 9.4502 9.8936 9.8936 10.1875 10.1875 17.9900 17.9900 18.7512 18.7512 19.0402 19.0402 19.0992 19.0992 k = 0.6100 0.0745-2.3271 ( 1703 PWs) bands (ev): -2.6695 -2.6695 -2.4645 -2.4645 -1.7898 -1.7898 -1.2520 -1.2520 -0.2810 -0.2810 0.3328 0.3328 0.6398 0.6398 1.4076 1.4076 2.7742 2.7742 3.1504 3.1504 5.3786 5.3786 6.2136 6.2136 7.0387 7.0387 7.7139 7.7139 7.7777 7.7777 8.1755 8.1755 9.1446 9.1446 9.4876 9.4876 9.8393 9.8393 10.2298 10.2298 17.9950 17.9950 18.7085 18.7085 19.0666 19.0666 19.1508 19.1508 k = 0.6375 0.0779-2.3211 ( 1703 PWs) bands (ev): -2.6715 -2.6715 -2.4668 -2.4668 -1.7973 -1.7973 -1.2270 -1.2270 -0.3091 -0.3091 0.3738 0.3738 0.5620 0.5620 1.5064 1.5064 2.7091 2.7091 3.1561 3.1561 5.3608 5.3608 6.2782 6.2782 7.0456 7.0456 7.6819 7.6819 7.7335 7.7335 8.2294 8.2294 9.1032 9.1032 9.5260 9.5260 9.7838 9.7838 10.2700 10.2700 18.0015 18.0015 18.6654 18.6654 19.0998 19.0998 19.2053 19.2053 k = 0.6650 0.0812-2.3152 ( 1699 PWs) bands (ev): -2.6747 -2.6747 -2.4685 -2.4685 -1.8054 -1.8054 -1.1984 -1.1984 -0.3389 -0.3389 0.4112 0.4112 0.4958 0.4958 1.6068 1.6068 2.6410 2.6410 3.1514 3.1514 5.3489 5.3489 6.3465 6.3465 7.0541 7.0541 7.6452 7.6452 7.6905 7.6905 8.2844 8.2844 9.0604 9.0604 9.5646 9.5646 9.7273 9.7273 10.3078 10.3078 18.0095 18.0095 18.6229 18.6229 19.1396 19.1396 19.2619 19.2619 k = 0.6650 0.0812-2.3152 ( 1699 PWs) bands (ev): -2.6747 -2.6747 -2.4685 -2.4685 -1.8054 -1.8054 -1.1984 -1.1984 -0.3389 -0.3389 0.4112 0.4112 0.4958 0.4958 1.6068 1.6068 2.6410 2.6410 3.1514 3.1514 5.3489 5.3489 6.3465 6.3465 7.0541 7.0541 7.6452 7.6452 7.6905 7.6905 8.2844 8.2844 9.0604 9.0604 9.5646 9.5646 9.7273 9.7273 10.3078 10.3078 18.0095 18.0095 18.6229 18.6229 19.1396 19.1396 19.2619 19.2619 k = 0.6627 0.0810-2.2825 ( 1701 PWs) bands (ev): -2.6949 -2.6949 -2.5368 -2.5368 -1.7841 -1.7841 -1.1700 -1.1700 -0.2562 -0.2562 0.3252 0.3252 0.4256 0.4256 1.7254 1.7254 2.7605 2.7605 3.0447 3.0447 5.2675 5.2675 6.4162 6.4162 7.0565 7.0565 7.6824 7.6824 7.6939 7.6939 8.2859 8.2859 9.0507 9.0507 9.5438 9.5438 9.7308 9.7308 10.3095 10.3095 18.0107 18.0107 18.6190 18.6190 19.1634 19.1634 19.2632 19.2632 k = 0.6604 0.0807-2.2499 ( 1707 PWs) bands (ev): -2.7476 -2.7476 -2.6230 -2.6230 -1.7471 -1.7471 -1.1469 -1.1469 -0.1746 -0.1746 0.2607 0.2607 0.3787 0.3787 1.8421 1.8421 2.8354 2.8354 2.9958 2.9958 5.1812 5.1812 6.4867 6.4867 7.0611 7.0611 7.6992 7.6992 7.7156 7.7156 8.2896 8.2896 9.0444 9.0444 9.5271 9.5271 9.7365 9.7365 10.3133 10.3133 18.0101 18.0101 18.6145 18.6145 19.1943 19.1943 19.2654 19.2654 k = 0.6581 0.0804-2.2172 ( 1708 PWs) bands (ev): -2.8245 -2.8245 -2.7227 -2.7227 -1.7028 -1.7028 -1.1378 -1.1378 -0.1087 -0.1087 0.2295 0.2295 0.3634 0.3634 1.9514 1.9514 2.7927 2.7927 3.0829 3.0829 5.0922 5.0922 6.5565 6.5565 7.0678 7.0678 7.7068 7.7068 7.7433 7.7433 8.2953 8.2953 9.0421 9.0421 9.5150 9.5150 9.7441 9.7441 10.3191 10.3191 18.0080 18.0080 18.6097 18.6097 19.2297 19.2297 19.2708 19.2708 k = 0.6558 0.0801-2.1846 ( 1712 PWs) bands (ev): -2.9181 -2.9181 -2.8322 -2.8322 -1.6612 -1.6612 -1.1487 -1.1487 -0.0712 -0.0712 0.2422 0.2422 0.3865 0.3865 2.0428 2.0428 2.7342 2.7342 3.2135 3.2135 5.0018 5.0018 6.6243 6.6243 7.0767 7.0767 7.7166 7.7166 7.7648 7.7648 8.3031 8.3031 9.0442 9.0442 9.5080 9.5080 9.7537 9.7537 10.3269 10.3269 18.0048 18.0048 18.6044 18.6044 19.2540 19.2540 19.2946 19.2946 k = 0.6535 0.0798-2.1519 ( 1712 PWs) bands (ev): -3.0228 -3.0228 -2.9482 -2.9482 -1.6310 -1.6310 -1.1820 -1.1820 -0.0531 -0.0531 0.2913 0.2913 0.4486 0.4486 2.1004 2.1004 2.7109 2.7109 3.3529 3.3529 4.9113 4.9113 6.6892 6.6892 7.0877 7.0877 7.7284 7.7284 7.7793 7.7793 8.3131 8.3131 9.0511 9.0511 9.5068 9.5068 9.7654 9.7654 10.3367 10.3367 18.0007 18.0007 18.5990 18.5990 19.2605 19.2605 19.3432 19.3432 k = 0.6512 0.0796-2.1193 ( 1712 PWs) bands (ev): -3.1347 -3.1347 -3.0687 -3.0687 -1.6185 -1.6185 -1.2362 -1.2362 -0.0323 -0.0323 0.3628 0.3628 0.5393 0.5393 2.1114 2.1114 2.7409 2.7409 3.4960 3.4960 4.8220 4.8220 6.7504 6.7504 7.1009 7.1009 7.7423 7.7423 7.7864 7.7864 8.3250 8.3250 9.0629 9.0629 9.5118 9.5118 9.7792 9.7792 10.3485 10.3485 17.9962 17.9962 18.5935 18.5935 19.2632 19.2632 19.4019 19.4019 k = 0.6490 0.0793-2.0866 ( 1700 PWs) bands (ev): -3.2514 -3.2514 -3.1920 -3.1920 -1.6272 -1.6272 -1.3078 -1.3078 0.0050 0.0050 0.4502 0.4502 0.6455 0.6455 2.0838 2.0838 2.8193 2.8193 3.6413 3.6413 4.7350 4.7350 6.8071 6.8071 7.1162 7.1162 7.7584 7.7584 7.7861 7.7861 8.3391 8.3391 9.0796 9.0796 9.5236 9.5236 9.7950 9.7950 10.3623 10.3623 17.9916 17.9916 18.5880 18.5880 19.2654 19.2654 19.4674 19.4674 k = 0.6467 0.0790-2.0540 ( 1700 PWs) bands (ev): -3.3713 -3.3713 -3.3170 -3.3170 -1.6573 -1.6573 -1.3929 -1.3929 0.0632 0.0632 0.5485 0.5485 0.7573 0.7573 2.0386 2.0386 2.9274 2.9274 3.7876 3.7876 4.6521 4.6521 6.8588 6.8588 7.1336 7.1336 7.7761 7.7761 7.7789 7.7789 8.3552 8.3552 9.1011 9.1011 9.5422 9.5422 9.8127 9.8127 10.3780 10.3780 17.9871 17.9871 18.5826 18.5826 19.2675 19.2675 19.5386 19.5386 k = 0.6444 0.0787-2.0213 ( 1703 PWs) bands (ev): -3.4931 -3.4931 -3.4429 -3.4429 -1.7067 -1.7067 -1.4876 -1.4876 0.1416 0.1416 0.6509 0.6509 0.8697 0.8697 1.9946 1.9946 3.0510 3.0510 3.9335 3.9335 4.5758 4.5758 6.9049 6.9049 7.1531 7.1531 7.7642 7.7642 7.7967 7.7967 8.3733 8.3733 9.1271 9.1271 9.5676 9.5676 9.8325 9.8325 10.3956 10.3956 17.9830 17.9830 18.5773 18.5773 19.2700 19.2700 19.6149 19.6149 k = 0.6421 0.0784-1.9887 ( 1701 PWs) bands (ev): -3.6159 -3.6159 -3.5691 -3.5691 -1.7718 -1.7718 -1.5892 -1.5892 0.2369 0.2369 0.7472 0.7472 0.9814 0.9814 1.9657 1.9657 3.1814 3.1814 4.0755 4.0755 4.5113 4.5113 6.9452 6.9452 7.1748 7.1748 7.7439 7.7439 7.8191 7.8191 8.3935 8.3935 9.1577 9.1577 9.5996 9.5996 9.8543 9.8543 10.4153 10.4153 17.9796 17.9796 18.5723 18.5723 19.2729 19.2729 19.6958 19.6958 k = 0.6398 0.0782-1.9560 ( 1703 PWs) bands (ev): -3.7391 -3.7391 -3.6952 -3.6952 -1.8493 -1.8493 -1.6955 -1.6955 0.3452 0.3452 0.8224 0.8224 1.0966 1.0966 1.9629 1.9629 3.3127 3.3127 4.2019 4.2019 4.4728 4.4728 6.9793 6.9793 7.1984 7.1984 7.7181 7.7181 7.8434 7.8434 8.4156 8.4156 9.1927 9.1927 9.6378 9.6378 9.8780 9.8780 10.4368 10.4368 17.9769 17.9769 18.5675 18.5675 19.2765 19.2765 19.7810 19.7810 k = 0.6375 0.0779-1.9234 ( 1697 PWs) bands (ev): -3.8623 -3.8623 -3.8207 -3.8207 -1.9358 -1.9358 -1.8048 -1.8048 0.4622 0.4622 0.8640 0.8640 1.2215 1.2215 1.9931 1.9931 3.4392 3.4392 4.2752 4.2752 4.5025 4.5025 7.0074 7.0074 7.2242 7.2242 7.6879 7.6879 7.8698 7.8698 8.4398 8.4398 9.2321 9.2321 9.6814 9.6814 9.9037 9.9037 10.4603 10.4603 17.9751 17.9751 18.5631 18.5631 19.2808 19.2808 19.8700 19.8700 k = 0.6352 0.0776-1.8907 ( 1697 PWs) bands (ev): -3.9850 -3.9850 -3.9454 -3.9454 -2.0290 -2.0290 -1.9160 -1.9160 0.5813 0.5813 0.8722 0.8722 1.3576 1.3576 2.0562 2.0562 3.5535 3.5535 4.2895 4.2895 4.6131 4.6131 7.0295 7.0295 7.2520 7.2520 7.6537 7.6537 7.8983 7.8983 8.4659 8.4659 9.2757 9.2757 9.7299 9.7299 9.9314 9.9314 10.4857 10.4857 17.9743 17.9743 18.5591 18.5591 19.2858 19.2858 19.9623 19.9623 k = 0.6329 0.0773-1.8581 ( 1699 PWs) bands (ev): -4.1071 -4.1071 -4.0691 -4.0691 -2.1269 -2.1269 -2.0282 -2.0282 0.6850 0.6850 0.8688 0.8688 1.5026 1.5026 2.1467 2.1467 3.6458 3.6458 4.3057 4.3057 4.7540 4.7540 7.0459 7.0459 7.2819 7.2819 7.6164 7.6164 7.9288 7.9288 8.4940 8.4940 9.3234 9.3234 9.7824 9.7824 9.9610 9.9610 10.5129 10.5129 17.9746 17.9746 18.5556 18.5556 19.2917 19.2917 20.0571 20.0571 k = 0.6306 0.0770-1.8254 ( 1695 PWs) bands (ev): -4.2282 -4.2282 -4.1916 -4.1916 -2.2279 -2.2279 -2.1408 -2.1408 0.7141 0.7141 0.9199 0.9199 1.6537 1.6537 2.2570 2.2570 3.7080 3.7080 4.3545 4.3545 4.9035 4.9035 7.0572 7.0572 7.3138 7.3138 7.5767 7.5767 7.9613 7.9613 8.5240 8.5240 9.3751 9.3751 9.8382 9.8382 9.9925 9.9925 10.5420 10.5420 17.9761 17.9761 18.5525 18.5525 19.2986 19.2986 20.1537 20.1537 k = 0.6283 0.0768-1.7928 ( 1694 PWs) bands (ev): -4.3482 -4.3482 -4.3128 -4.3128 -2.3311 -2.3311 -2.2534 -2.2534 0.6680 0.6680 1.0312 1.0312 1.8085 1.8085 2.3803 2.3803 3.7417 3.7417 4.4412 4.4412 5.0559 5.0559 7.0640 7.0640 7.3476 7.3476 7.5351 7.5351 7.9957 7.9957 8.5559 8.5559 9.4306 9.4306 9.8966 9.8966 10.0260 10.0260 10.5729 10.5729 17.9788 17.9788 18.5500 18.5500 19.3064 19.3064 20.2506 20.2506 k = 0.6260 0.0765-1.7601 ( 1700 PWs) bands (ev): -4.4670 -4.4670 -4.4326 -4.4326 -2.4354 -2.4354 -2.3655 -2.3655 0.5969 0.5969 1.1552 1.1552 1.9654 1.9654 2.5116 2.5116 3.7588 3.7588 4.5576 4.5576 5.2090 5.2090 7.0671 7.0671 7.3836 7.3836 7.4923 7.4923 8.0321 8.0321 8.5897 8.5897 9.4896 9.4896 9.9571 9.9571 10.0613 10.0613 10.6056 10.6056 17.9827 17.9827 18.5481 18.5481 19.3155 19.3155 20.3454 20.3454 k = 0.6238 0.0762-1.7275 ( 1698 PWs) bands (ev): -4.5843 -4.5843 -4.5508 -4.5508 -2.5404 -2.5404 -2.4768 -2.4768 0.5158 0.5158 1.2776 1.2776 2.1230 2.1230 2.6477 2.6477 3.7734 3.7734 4.6933 4.6933 5.3617 5.3617 7.0677 7.0677 7.4214 7.4214 7.4491 7.4491 8.0706 8.0706 8.6254 8.6254 9.5518 9.5518 10.0192 10.0192 10.0985 10.0985 10.6401 10.6401 17.9877 17.9877 18.5469 18.5469 19.3257 19.3257 20.4342 20.4342 k = 0.6215 0.0759-1.6948 ( 1698 PWs) bands (ev): -4.7002 -4.7002 -4.6675 -4.6675 -2.6454 -2.6454 -2.5872 -2.5872 0.4294 0.4294 1.3925 1.3925 2.2802 2.2802 2.7865 2.7865 3.7962 3.7962 4.8405 4.8405 5.5126 5.5126 7.0669 7.0669 7.4060 7.4060 7.4612 7.4612 8.1109 8.1109 8.6630 8.6630 9.6166 9.6166 10.0822 10.0822 10.1375 10.1375 10.6764 10.6764 17.9940 17.9940 18.5463 18.5463 19.3371 19.3371 20.5110 20.5110 k = 0.6192 0.0756-1.6622 ( 1696 PWs) bands (ev): -4.8145 -4.8145 -4.7824 -4.7824 -2.7501 -2.7501 -2.6964 -2.6964 0.3403 0.3403 1.4956 1.4956 2.4364 2.4364 2.9274 2.9274 3.8342 3.8342 4.9947 4.9947 5.6604 5.6604 7.0663 7.0663 7.3640 7.3640 7.5029 7.5029 8.1532 8.1532 8.7024 8.7024 9.6836 9.6836 10.1457 10.1457 10.1786 10.1786 10.7144 10.7144 18.0015 18.0015 18.5465 18.5465 19.3497 19.3497 20.5698 20.5698 k = 0.6169 0.0754-1.6295 ( 1698 PWs) bands (ev): -4.9270 -4.9270 -4.8957 -4.8957 -2.8541 -2.8541 -2.8043 -2.8043 0.2497 0.2497 1.5828 1.5828 2.5913 2.5913 3.0707 3.0707 3.8917 3.8917 5.1528 5.1528 5.8033 5.8033 7.0679 7.0679 7.3240 7.3240 7.5465 7.5465 8.1974 8.1974 8.7435 8.7435 9.7525 9.7525 10.2093 10.2093 10.2215 10.2215 10.7541 10.7541 18.0102 18.0102 18.5474 18.5474 19.3638 19.3638 20.6091 20.6091 k = 0.6146 0.0751-1.5969 ( 1695 PWs) bands (ev): -5.0379 -5.0379 -5.0071 -5.0071 -2.9574 -2.9574 -2.9108 -2.9108 0.1585 0.1585 1.6511 1.6511 2.7456 2.7456 3.2175 3.2175 3.9700 3.9700 5.3128 5.3128 5.9389 5.9389 7.0738 7.0738 7.2876 7.2876 7.5920 7.5920 8.2435 8.2435 8.7865 8.7865 9.8229 9.8229 10.2648 10.2648 10.2741 10.2741 10.7954 10.7954 18.0201 18.0201 18.5493 18.5493 19.3792 19.3792 20.6331 20.6331 k = 0.6123 0.0748-1.5642 ( 1697 PWs) bands (ev): -5.1469 -5.1469 -5.1167 -5.1167 -3.0595 -3.0595 -3.0158 -3.0158 0.0673 0.0673 1.6986 1.6986 2.9006 2.9006 3.3689 3.3689 4.0680 4.0680 5.4729 5.4729 6.0642 6.0642 7.0858 7.0858 7.2577 7.2577 7.6393 7.6393 8.2913 8.2913 8.8311 8.8311 9.8943 9.8943 10.3113 10.3113 10.3372 10.3372 10.8383 10.8383 18.0310 18.0310 18.5520 18.5520 19.3960 19.3960 20.6478 20.6478 k = 0.6100 0.0745-1.5316 ( 1697 PWs) bands (ev): -5.2542 -5.2542 -5.2243 -5.2243 -3.1604 -3.1604 -3.1192 -3.1192 -0.0234 -0.0234 1.7255 1.7255 3.0578 3.0578 3.5257 3.5257 4.1826 4.1826 5.6313 5.6313 6.1753 6.1753 7.1028 7.1028 7.2413 7.2413 7.6884 7.6884 8.3409 8.3409 8.8774 8.8774 9.9664 9.9664 10.3591 10.3591 10.4001 10.4001 10.8828 10.8828 18.0432 18.0432 18.5556 18.5556 19.4143 19.4143 20.6573 20.6573 k = 0.6077 0.0742-1.4989 ( 1697 PWs) bands (ev): -5.3596 -5.3596 -5.3301 -5.3301 -3.2600 -3.2600 -3.2209 -3.2209 -0.1133 -0.1133 1.7333 1.7333 3.2185 3.2185 3.6876 3.6876 4.3104 4.3104 5.7857 5.7857 6.2689 6.2689 7.1165 7.1165 7.2531 7.2531 7.7393 7.7393 8.3923 8.3923 8.9254 8.9254 10.0388 10.0388 10.4086 10.4086 10.4623 10.4623 10.9289 10.9289 18.0563 18.0563 18.5602 18.5602 19.4342 19.4342 20.6642 20.6642 k = 0.6054 0.0740-1.4663 ( 1699 PWs) bands (ev): -5.4630 -5.4630 -5.4339 -5.4339 -3.3582 -3.3582 -3.3209 -3.3209 -0.2023 -0.2023 1.7246 1.7246 3.3833 3.3833 3.8540 3.8540 4.4478 4.4478 5.9325 5.9325 6.3438 6.3438 7.1205 7.1205 7.3050 7.3050 7.7920 7.7920 8.4455 8.4455 8.9750 8.9750 10.1113 10.1113 10.4597 10.4597 10.5237 10.5237 10.9764 10.9764 18.0705 18.0705 18.5659 18.5659 19.4555 19.4555 20.6699 20.6699 k = 0.6031 0.0737-1.4336 ( 1699 PWs) bands (ev): -5.5645 -5.5645 -5.5357 -5.5357 -3.4547 -3.4547 -3.4192 -3.4192 -0.2901 -0.2901 1.7024 1.7024 3.5524 3.5524 4.0237 4.0237 4.5917 4.5917 6.0663 6.0663 6.4025 6.4025 7.1247 7.1247 7.3907 7.3907 7.8463 7.8463 8.5004 8.5004 9.0261 9.0261 10.1836 10.1836 10.5123 10.5123 10.5841 10.5841 11.0253 11.0253 18.0858 18.0858 18.5726 18.5726 19.4784 19.4784 20.6755 20.6755 k = 0.6008 0.0734-1.4010 ( 1699 PWs) bands (ev): -5.6640 -5.6640 -5.6355 -5.6355 -3.5497 -3.5497 -3.5155 -3.5155 -0.3766 -0.3766 1.6695 1.6695 3.7254 3.7254 4.1956 4.1956 4.7392 4.7392 6.1788 6.1788 6.4523 6.4523 7.1415 7.1415 7.5005 7.5005 7.9023 7.9023 8.5569 8.5569 9.0787 9.0787 10.2554 10.2554 10.5664 10.5664 10.6433 10.6433 11.0756 11.0756 18.1021 18.1021 18.5804 18.5804 19.5030 19.5030 20.6813 20.6813 k = 0.5985 0.0731-1.3683 ( 1699 PWs) bands (ev): -5.7614 -5.7614 -5.7333 -5.7333 -3.6429 -3.6429 -3.6100 -3.6100 -0.4616 -0.4616 1.6282 1.6282 3.9016 3.9016 4.3682 4.3682 4.8877 4.8877 6.2608 6.2608 6.5019 6.5019 7.1801 7.1801 7.6277 7.6277 7.9599 7.9599 8.6150 8.6150 9.1328 9.1328 10.3265 10.3265 10.6220 10.6220 10.7012 10.7012 11.1272 11.1272 18.1194 18.1194 18.5895 18.5895 19.5291 19.5291 20.6878 20.6878 k = 0.5962 0.0728-1.3357 ( 1697 PWs) bands (ev): -5.8569 -5.8569 -5.8289 -5.8289 -3.7343 -3.7343 -3.7026 -3.7026 -0.5451 -0.5451 1.5806 1.5806 4.0804 4.0804 4.5402 4.5402 5.0348 5.0348 6.3107 6.3107 6.5539 6.5539 7.2468 7.2468 7.7671 7.7671 8.0191 8.0191 8.6747 8.6747 9.1884 9.1884 10.3967 10.3967 10.6790 10.6790 10.7579 10.7579 11.1801 11.1801 18.1377 18.1377 18.5998 18.5998 19.5568 19.5568 20.6951 20.6951 k = 0.5940 0.0726-1.3030 ( 1689 PWs) bands (ev): -5.9502 -5.9502 -5.9225 -5.9225 -3.8239 -3.8239 -3.7933 -3.7933 -0.6271 -0.6271 1.5283 1.5283 4.2608 4.2608 4.7099 4.7099 5.1779 5.1779 6.3382 6.3382 6.6043 6.6043 7.3429 7.3429 7.9151 7.9151 8.0798 8.0798 8.7359 8.7359 9.2453 9.2453 10.4659 10.4659 10.7376 10.7376 10.8132 10.8132 11.2343 11.2343 18.1570 18.1570 18.6114 18.6114 19.5861 19.5861 20.7035 20.7035 k = 0.5917 0.0723-1.2704 ( 1693 PWs) bands (ev): -6.0415 -6.0415 -6.0141 -6.0141 -3.9117 -3.9117 -3.8820 -3.8820 -0.7075 -0.7075 1.4724 1.4724 4.4419 4.4419 4.8748 4.8748 5.3142 5.3142 6.3555 6.3555 6.6518 6.6518 7.4644 7.4644 8.0692 8.0692 8.1419 8.1419 8.7985 8.7985 9.3034 9.3034 10.5338 10.5338 10.7973 10.7973 10.8670 10.8670 11.2895 11.2895 18.1773 18.1773 18.6242 18.6242 19.6169 19.6169 20.7128 20.7128 k = 0.5894 0.0720-1.2377 ( 1692 PWs) bands (ev): -6.1307 -6.1307 -6.1035 -6.1035 -3.9976 -3.9976 -3.9687 -3.9687 -0.7861 -0.7861 1.4141 1.4141 4.6224 4.6224 5.0324 5.0324 5.4410 5.4410 6.3719 6.3719 6.7011 6.7011 7.6046 7.6046 8.2054 8.2054 8.2276 8.2276 8.8626 8.8626 9.3627 9.3627 10.6002 10.6002 10.8582 10.8582 10.9193 10.9193 11.3457 11.3457 18.1985 18.1985 18.6384 18.6384 19.6492 19.6492 20.7231 20.7231 k = 0.5871 0.0717-1.2051 ( 1696 PWs) bands (ev): -6.2178 -6.2178 -6.1907 -6.1907 -4.0815 -4.0815 -4.0534 -4.0534 -0.8630 -0.8630 1.3543 1.3543 4.8004 4.8004 5.1784 5.1784 5.5561 5.5561 6.3946 6.3946 6.7589 6.7589 7.7578 7.7578 8.2703 8.2703 8.3889 8.3889 8.9280 8.9280 9.4232 9.4232 10.6652 10.6652 10.9203 10.9203 10.9701 10.9701 11.4029 11.4029 18.2205 18.2205 18.6538 18.6538 19.6829 19.6829 20.7343 20.7343 k = 0.5848 0.0714-1.1724 ( 1694 PWs) bands (ev): -6.3028 -6.3028 -6.2759 -6.2759 -4.1635 -4.1635 -4.1360 -4.1360 -0.9381 -0.9381 1.2934 1.2934 4.9731 4.9731 5.3079 5.3079 5.6594 5.6594 6.4303 6.4303 6.8310 6.8310 7.9196 7.9196 8.3365 8.3365 8.5522 8.5522 8.9946 8.9946 9.4847 9.4847 10.7285 10.7285 10.9836 10.9836 11.0193 11.0193 11.4610 11.4610 18.2436 18.2436 18.6705 18.6705 19.7180 19.7180 20.7464 20.7464 k = 0.5825 0.0712-1.1398 ( 1692 PWs) bands (ev): -6.3856 -6.3856 -6.3588 -6.3588 -4.2434 -4.2434 -4.2166 -4.2166 -1.0114 -1.0114 1.2320 1.2320 5.1359 5.1359 5.4156 5.4156 5.7538 5.7538 6.4849 6.4849 6.9207 6.9207 8.0870 8.0870 8.4039 8.4039 8.7168 8.7168 9.0625 9.0625 9.5472 9.5472 10.7903 10.7903 11.0477 11.0477 11.0671 11.0671 11.5199 11.5199 18.2677 18.2677 18.6885 18.6885 19.7545 19.7545 20.7592 20.7592 k = 0.5802 0.0709-1.1071 ( 1692 PWs) bands (ev): -6.4663 -6.4663 -6.4397 -6.4397 -4.3214 -4.3214 -4.2952 -4.2952 -1.0828 -1.0828 1.1705 1.1705 5.2811 5.2811 5.4977 5.4977 5.8472 5.8472 6.5634 6.5634 7.0282 7.0282 8.2582 8.2582 8.4724 8.4724 8.8823 8.8823 9.1315 9.1315 9.6106 9.6106 10.8504 10.8504 11.1106 11.1106 11.1156 11.1156 11.5796 11.5796 18.2927 18.2927 18.7078 18.7078 19.7921 19.7921 20.7725 20.7725 k = 0.5779 0.0706-1.0745 ( 1691 PWs) bands (ev): -6.5448 -6.5448 -6.5183 -6.5183 -4.3973 -4.3973 -4.3716 -4.3716 -1.1524 -1.1524 1.1092 1.1092 5.3986 5.3986 5.5540 5.5540 5.9512 5.9512 6.6669 6.6669 7.1523 7.1523 8.4319 8.4319 8.5419 8.5419 9.0480 9.0480 9.2015 9.2015 9.6748 9.6748 10.9088 10.9088 11.1573 11.1573 11.1797 11.1797 11.6398 11.6398 18.3187 18.3187 18.7282 18.7282 19.8309 19.8309 20.7861 20.7861 k = 0.5756 0.0703-1.0418 ( 1687 PWs) bands (ev): -6.6211 -6.6211 -6.5947 -6.5947 -4.4712 -4.4712 -4.4460 -4.4460 -1.2201 -1.2201 1.0484 1.0484 5.4805 5.4805 5.5881 5.5881 6.0758 6.0758 6.7930 6.7930 7.2899 7.2899 8.6070 8.6070 8.6127 8.6127 9.2135 9.2135 9.2726 9.2726 9.7397 9.7397 10.9654 10.9654 11.2006 11.2006 11.2464 11.2464 11.7005 11.7005 18.3456 18.3456 18.7498 18.7498 19.8707 19.8707 20.7998 20.7998 k = 0.5733 0.0700-1.0092 ( 1684 PWs) bands (ev): -6.6952 -6.6952 -6.6690 -6.6690 -4.5430 -4.5430 -4.5182 -4.5182 -1.2859 -1.2859 0.9884 0.9884 5.5276 5.5276 5.6054 5.6054 6.2222 6.2222 6.9372 6.9372 7.4381 7.4381 8.6839 8.6839 8.7833 8.7833 9.3444 9.3444 9.3787 9.3787 9.8052 9.8052 11.0204 11.0204 11.2423 11.2423 11.3140 11.3140 11.7618 11.7618 18.3734 18.3734 18.7727 18.7727 19.9113 19.9113 20.8132 20.8132 k = 0.5710 0.0698-0.9765 ( 1682 PWs) bands (ev): -6.7671 -6.7671 -6.7410 -6.7410 -4.6127 -4.6127 -4.5883 -4.5883 -1.3498 -1.3498 0.9292 0.9292 5.5481 5.5481 5.6103 5.6103 6.3855 6.3855 7.0947 7.0947 7.5942 7.5942 8.7561 8.7561 8.9595 8.9595 9.4171 9.4171 9.5430 9.5430 9.8712 9.8712 11.0737 11.0737 11.2826 11.2826 11.3823 11.3823 11.8230 11.8230 18.4022 18.4022 18.7965 18.7965 19.9525 19.9525 20.8261 20.8261 k = 0.5687 0.0695-0.9439 ( 1682 PWs) bands (ev): -6.8368 -6.8368 -6.8108 -6.8108 -4.6803 -4.6803 -4.6563 -4.6563 -1.4117 -1.4117 0.8711 0.8711 5.5508 5.5508 5.6060 5.6060 6.5595 6.5595 7.2614 7.2614 7.7560 7.7560 8.8289 8.8289 9.1354 9.1354 9.4905 9.4905 9.7059 9.7059 9.9376 9.9376 11.1254 11.1254 11.3215 11.3215 11.4509 11.4509 11.8845 11.8845 18.4319 18.4319 18.8214 18.8214 19.9943 19.9943 20.8378 20.8378 k = 0.5665 0.0692-0.9112 ( 1682 PWs) bands (ev): -6.9043 -6.9043 -6.8784 -6.8784 -4.7457 -4.7457 -4.7221 -4.7221 -1.4717 -1.4717 0.8143 0.8143 5.5425 5.5425 5.5949 5.5949 6.7396 6.7396 7.4343 7.4343 7.9217 7.9217 8.9024 8.9024 9.3107 9.3107 9.5644 9.5644 9.8671 9.8671 10.0045 10.0045 11.1757 11.1757 11.3592 11.3592 11.5198 11.5198 11.9460 11.9460 18.4623 18.4623 18.8470 18.8470 20.0363 20.0363 20.8090 20.8090 k = 0.5642 0.0689-0.8786 ( 1681 PWs) bands (ev): -6.9695 -6.9695 -6.9438 -6.9438 -4.8091 -4.8091 -4.7858 -4.7858 -1.5298 -1.5298 0.7587 0.7587 5.5271 5.5271 5.5787 5.5787 6.9233 6.9233 7.6114 7.6114 8.0900 8.0900 8.9762 8.9762 9.4849 9.4849 9.6390 9.6390 10.0267 10.0267 10.0713 10.0713 11.2247 11.2247 11.3956 11.3956 11.5890 11.5890 12.0073 12.0073 18.4937 18.4937 18.8735 18.8735 20.0784 20.0784 20.7288 20.7288 k = 0.5619 0.0686-0.8459 ( 1678 PWs) bands (ev): -7.0326 -7.0326 -7.0069 -7.0069 -4.8703 -4.8703 -4.8473 -4.8473 -1.5859 -1.5859 0.7045 0.7045 5.5074 5.5074 5.5589 5.5589 7.1085 7.1085 7.7910 7.7910 8.2599 8.2599 9.0506 9.0506 9.6580 9.6580 9.7137 9.7137 10.1381 10.1381 10.1833 10.1833 11.2728 11.2728 11.4311 11.4311 11.6584 11.6584 12.0684 12.0684 18.5258 18.5258 18.9005 18.9005 20.1204 20.1204 20.6476 20.6476 k = 0.5596 0.0684-0.8133 ( 1679 PWs) bands (ev): -7.0933 -7.0933 -7.0677 -7.0677 -4.9293 -4.9293 -4.9066 -4.9066 -1.6400 -1.6400 0.6519 0.6519 5.4849 5.4849 5.5365 5.5365 7.2943 7.2943 7.9718 7.9718 8.4303 8.4303 9.1250 9.1250 9.7886 9.7886 9.8288 9.8288 10.2047 10.2047 10.3366 10.3366 11.3203 11.3203 11.4658 11.4658 11.7276 11.7276 12.1290 12.1290 18.5586 18.5586 18.9281 18.9281 20.1617 20.1617 20.5658 20.5658 k = 0.5573 0.0681-0.7806 ( 1679 PWs) bands (ev): -7.1519 -7.1519 -7.1263 -7.1263 -4.9862 -4.9862 -4.9638 -4.9638 -1.6922 -1.6922 0.6008 0.6008 5.4605 5.4605 5.5124 5.5124 7.4797 7.4797 8.1531 8.1531 8.6009 8.6009 9.1994 9.1994 9.8635 9.8635 9.9972 9.9972 10.2710 10.2710 10.4859 10.4859 11.3677 11.3677 11.4998 11.4998 11.7968 11.7968 12.1891 12.1891 18.5920 18.5920 18.9560 18.9560 20.2022 20.2022 20.4837 20.4837 k = 0.5550 0.0678-0.7480 ( 1674 PWs) bands (ev): -7.2082 -7.2082 -7.1827 -7.1827 -5.0409 -5.0409 -5.0187 -5.0187 -1.7423 -1.7423 0.5514 0.5514 5.4351 5.4351 5.4872 5.4872 7.6645 7.6645 8.3343 8.3343 8.7704 8.7704 9.2737 9.2737 9.9384 9.9384 10.1626 10.1626 10.3369 10.3369 10.6302 10.6302 11.4161 11.4161 11.5336 11.5336 11.8656 11.8656 12.2484 12.2484 18.6260 18.6260 18.9842 18.9842 20.2414 20.2414 20.4016 20.4016 k = 0.5527 0.0675-0.7153 ( 1676 PWs) bands (ev): -7.2622 -7.2622 -7.2368 -7.2368 -5.0934 -5.0934 -5.0715 -5.0715 -1.7904 -1.7904 0.5037 0.5037 5.4092 5.4092 5.4615 5.4615 7.8472 7.8472 8.5142 8.5142 8.9386 8.9386 9.3477 9.3477 10.0129 10.0129 10.3246 10.3246 10.4021 10.4021 10.7681 10.7681 11.4663 11.4663 11.5674 11.5674 11.9339 11.9339 12.3069 12.3069 18.6604 18.6604 19.0124 19.0124 20.2786 20.2786 20.3199 20.3199 k = 0.5504 0.0672-0.6827 ( 1683 PWs) bands (ev): -7.3139 -7.3139 -7.2886 -7.2886 -5.1438 -5.1438 -5.1221 -5.1221 -1.8366 -1.8366 0.4578 0.4578 5.3832 5.3832 5.4356 5.4356 8.0278 8.0278 8.6924 8.6924 9.1048 9.1048 9.4213 9.4213 10.0869 10.0869 10.4663 10.4663 10.4824 10.4824 10.8977 10.8977 11.5201 11.5201 11.6018 11.6018 12.0016 12.0016 12.3642 12.3642 18.6951 18.6951 19.0404 19.0404 20.2383 20.2383 20.3136 20.3136 k = 0.5481 0.0670-0.6500 ( 1683 PWs) bands (ev): -7.3634 -7.3634 -7.3381 -7.3381 -5.1919 -5.1919 -5.1704 -5.1704 -1.8807 -1.8807 0.4136 0.4136 5.3573 5.3573 5.4097 5.4097 8.2058 8.2058 8.8685 8.8685 9.2686 9.2686 9.4942 9.4942 10.1604 10.1604 10.5298 10.5298 10.6346 10.6346 11.0166 11.0166 11.5795 11.5795 11.6375 11.6375 12.0685 12.0685 12.4201 12.4201 18.7300 18.7300 19.0681 19.0681 20.1580 20.1580 20.3451 20.3451 k = 0.5458 0.0667-0.6174 ( 1685 PWs) bands (ev): -7.4106 -7.4106 -7.3854 -7.3854 -5.2379 -5.2379 -5.2165 -5.2165 -1.9228 -1.9228 0.3713 0.3713 5.3318 5.3318 5.3842 5.3842 8.3807 8.3807 9.0420 9.0420 9.4296 9.4296 9.5663 9.5663 10.2330 10.2330 10.5920 10.5920 10.7805 10.7805 11.1223 11.1223 11.6463 11.6463 11.6762 11.6762 12.1345 12.1345 12.4746 12.4746 18.7650 18.7650 19.0954 19.0954 20.0789 20.0789 20.3724 20.3724 k = 0.5435 0.0664-0.5847 ( 1680 PWs) bands (ev): -7.4555 -7.4555 -7.4304 -7.4304 -5.2816 -5.2816 -5.2604 -5.2604 -1.9629 -1.9629 0.3309 0.3309 5.3069 5.3069 5.3593 5.3593 8.5522 8.5522 9.2124 9.2124 9.5873 9.5873 9.6374 9.6374 10.3047 10.3047 10.6529 10.6529 10.9184 10.9184 11.2129 11.2129 11.7120 11.7120 11.7294 11.7294 12.1993 12.1993 12.5274 12.5274 18.8000 18.8000 19.1221 19.1221 20.0014 20.0014 20.3734 20.3734 k = 0.5413 0.0661-0.5521 ( 1683 PWs) bands (ev): -7.4982 -7.4982 -7.4731 -7.4731 -5.3231 -5.3231 -5.3021 -5.3021 -2.0009 -2.0009 0.2924 0.2924 5.2827 5.2827 5.3351 5.3351 8.7196 8.7196 9.3791 9.3791 9.7071 9.7071 9.7412 9.7412 10.3751 10.3751 10.7121 10.7121 11.0459 11.0459 11.2877 11.2877 11.7613 11.7613 11.8141 11.8141 12.2628 12.2628 12.5784 12.5784 18.8346 18.8346 19.1478 19.1478 19.9258 19.9258 20.2823 20.2823 k = 0.5390 0.0658-0.5194 ( 1685 PWs) bands (ev): -7.5386 -7.5386 -7.5135 -7.5135 -5.3624 -5.3624 -5.3416 -5.3416 -2.0369 -2.0369 0.2559 0.2559 5.2594 5.2594 5.3118 5.3118 8.8826 8.8826 9.5418 9.5418 9.7754 9.7754 9.8906 9.8906 10.4440 10.4440 10.7695 10.7695 11.1608 11.1608 11.3482 11.3482 11.8156 11.8156 11.9092 11.9092 12.3247 12.3247 12.6273 12.6273 18.8686 18.8686 19.1724 19.1724 19.8525 19.8525 20.1932 20.1932 k = 0.5367 0.0656-0.4868 ( 1686 PWs) bands (ev): -7.5766 -7.5766 -7.5516 -7.5516 -5.3995 -5.3995 -5.3788 -5.3788 -2.0709 -2.0709 0.2213 0.2213 5.2370 5.2370 5.2893 5.2893 9.0406 9.0406 9.6998 9.6998 9.8420 9.8420 10.0352 10.0352 10.5112 10.5112 10.8250 10.8250 11.2608 11.2608 11.3974 11.3974 11.8789 11.8789 12.0098 12.0098 12.3850 12.3850 12.6739 12.6739 18.9021 18.9021 19.1958 19.1958 19.7818 19.7818 20.1069 20.1069 k = 0.5344 0.0653-0.4541 ( 1685 PWs) bands (ev): -7.6124 -7.6124 -7.5874 -7.5874 -5.4344 -5.4344 -5.4138 -5.4138 -2.1028 -2.1028 0.1887 0.1887 5.2156 5.2156 5.2679 5.2679 9.1931 9.1931 9.8526 9.8526 9.9067 9.9067 10.1745 10.1745 10.5764 10.5764 10.8783 10.8783 11.3445 11.3445 11.4376 11.4376 11.9524 11.9524 12.1127 12.1127 12.4435 12.4435 12.7182 12.7182 18.9347 18.9347 19.2178 19.2178 19.7140 19.7140 20.0235 20.0235 k = 0.5321 0.0650-0.4215 ( 1685 PWs) bands (ev): -7.6459 -7.6459 -7.6210 -7.6210 -5.4670 -5.4670 -5.4465 -5.4465 -2.1327 -2.1327 0.1582 0.1582 5.1954 5.1954 5.2476 5.2476 9.3396 9.3396 9.9689 9.9689 9.9999 9.9999 10.3080 10.3080 10.6395 10.6395 10.9291 10.9291 11.4121 11.4121 11.4714 11.4714 12.0355 12.0355 12.2155 12.2155 12.4998 12.4998 12.7598 12.7598 18.9662 18.9662 19.2382 19.2382 19.6494 19.6494 19.9433 19.9433 k = 0.5298 0.0647-0.3888 ( 1685 PWs) bands (ev): -7.6771 -7.6771 -7.6522 -7.6522 -5.4974 -5.4974 -5.4770 -5.4770 -2.1605 -2.1605 0.1296 0.1296 5.1764 5.1764 5.2285 5.2285 9.4796 9.4796 10.0288 10.0288 10.1407 10.1407 10.4351 10.4351 10.7000 10.7000 10.9773 10.9773 11.4651 11.4651 11.5004 11.5004 12.1259 12.1259 12.3162 12.3162 12.5539 12.5539 12.7986 12.7986 18.9965 18.9965 19.2567 19.2567 19.5883 19.5883 19.8666 19.8666 k = 0.5275 0.0644-0.3562 ( 1685 PWs) bands (ev): -7.7060 -7.7060 -7.6811 -7.6811 -5.5255 -5.5255 -5.5053 -5.5053 -2.1863 -2.1863 0.1031 0.1031 5.1586 5.1586 5.2106 5.2106 9.6124 9.6124 10.0858 10.0858 10.2747 10.2747 10.5554 10.5554 10.7578 10.7578 11.0227 11.0227 11.5054 11.5054 11.5268 11.5268 12.2205 12.2205 12.4132 12.4132 12.6054 12.6054 12.8344 12.8344 19.0252 19.0252 19.2734 19.2734 19.5310 19.5310 19.7938 19.7938 k = 0.5252 0.0642-0.3235 ( 1688 PWs) bands (ev): -7.7326 -7.7326 -7.7077 -7.7077 -5.5515 -5.5515 -5.5313 -5.5313 -2.2100 -2.2100 0.0787 0.0787 5.1421 5.1421 5.1940 5.1940 9.7375 9.7375 10.1397 10.1397 10.4012 10.4012 10.6681 10.6681 10.8125 10.8125 11.0651 11.0651 11.5344 11.5344 11.5523 11.5523 12.3162 12.3162 12.5054 12.5054 12.6544 12.6544 12.8672 12.8672 19.0522 19.0522 19.2879 19.2879 19.4777 19.4777 19.7252 19.7252 k = 0.5229 0.0639-0.2909 ( 1688 PWs) bands (ev): -7.7569 -7.7569 -7.7320 -7.7320 -5.5751 -5.5751 -5.5550 -5.5550 -2.2317 -2.2317 0.0564 0.0564 5.1269 5.1269 5.1787 5.1787 9.8544 9.8544 10.1902 10.1902 10.5197 10.5197 10.7730 10.7730 10.8638 10.8638 11.1043 11.1043 11.5555 11.5555 11.5763 11.5763 12.4105 12.4105 12.5916 12.5916 12.7006 12.7006 12.8967 12.8967 19.0772 19.0772 19.3002 19.3002 19.4287 19.4287 19.6610 19.6610 k = 0.5206 0.0636-0.2582 ( 1692 PWs) bands (ev): -7.7788 -7.7788 -7.7540 -7.7540 -5.5965 -5.5965 -5.5765 -5.5765 -2.2514 -2.2514 0.0361 0.0361 5.1130 5.1130 5.1647 5.1647 9.9623 9.9623 10.2370 10.2370 10.6295 10.6295 10.8693 10.8693 10.9116 10.9116 11.1401 11.1401 11.5723 11.5723 11.5970 11.5970 12.5012 12.5012 12.6712 12.6712 12.7438 12.7438 12.9228 12.9228 19.1000 19.1000 19.3103 19.3103 19.3842 19.3842 19.6016 19.6016 k = 0.5183 0.0633-0.2256 ( 1693 PWs) bands (ev): -7.7985 -7.7985 -7.7737 -7.7737 -5.6157 -5.6157 -5.5957 -5.5957 -2.2689 -2.2689 0.0180 0.0180 5.1006 5.1006 5.1522 5.1522 10.0609 10.0609 10.2799 10.2799 10.7300 10.7300 10.9533 10.9533 10.9588 10.9588 11.1724 11.1724 11.5863 11.5863 11.6145 11.6145 12.5869 12.5869 12.7433 12.7433 12.7840 12.7840 12.9455 12.9455 19.1205 19.1205 19.3180 19.3180 19.3444 19.3444 19.5473 19.5473 k = 0.5160 0.0630-0.1929 ( 1694 PWs) bands (ev): -7.8159 -7.8159 -7.7911 -7.7911 -5.6326 -5.6326 -5.6127 -5.6127 -2.2844 -2.2844 0.0019 0.0019 5.0895 5.0895 5.1411 5.1411 10.1494 10.1494 10.3185 10.3185 10.8206 10.8206 10.9946 10.9946 11.0352 11.0352 11.2010 11.2010 11.5983 11.5983 11.6290 11.6290 12.6662 12.6662 12.8070 12.8070 12.8213 12.8213 12.9647 12.9647 19.1386 19.1386 19.3086 19.3086 19.3244 19.3244 19.4984 19.4984 k = 0.5138 0.0628-0.1603 ( 1690 PWs) bands (ev): -7.8309 -7.8309 -7.8061 -7.8061 -5.6473 -5.6473 -5.6274 -5.6274 -2.2979 -2.2979 -0.0120 -0.0120 5.0800 5.0800 5.1314 5.1314 10.2274 10.2274 10.3526 10.3526 10.9008 10.9008 11.0298 11.0298 11.1036 11.1036 11.2261 11.2261 11.6084 11.6084 11.6409 11.6409 12.7381 12.7381 12.8525 12.8525 12.8648 12.8648 12.9803 12.9803 19.1542 19.1542 19.2785 19.2785 19.3280 19.3280 19.4551 19.4551 k = 0.5115 0.0625-0.1276 ( 1692 PWs) bands (ev): -7.8436 -7.8436 -7.8189 -7.8189 -5.6597 -5.6597 -5.6399 -5.6399 -2.3092 -2.3092 -0.0238 -0.0238 5.0718 5.0718 5.1232 5.1232 10.2942 10.2942 10.3819 10.3819 10.9697 10.9697 11.0601 11.0601 11.1617 11.1617 11.2472 11.2472 11.6169 11.6169 11.6505 11.6505 12.8015 12.8015 12.8828 12.8828 12.9110 12.9110 12.9923 12.9923 19.1672 19.1672 19.2530 19.2530 19.3300 19.3300 19.4177 19.4177 k = 0.5092 0.0622-0.0950 ( 1692 PWs) bands (ev): -7.8540 -7.8540 -7.8293 -7.8293 -5.6699 -5.6699 -5.6501 -5.6501 -2.3185 -2.3185 -0.0334 -0.0334 5.0651 5.0651 5.1164 5.1164 10.3496 10.3496 10.4063 10.4063 11.0268 11.0268 11.0853 11.0853 11.2094 11.2094 11.2646 11.2646 11.6239 11.6239 11.6582 11.6582 12.8558 12.8558 12.9088 12.9088 12.9483 12.9483 13.0009 13.0009 19.1776 19.1776 19.2324 19.2324 19.3307 19.3307 19.3867 19.3867 k = 0.5069 0.0619-0.0623 ( 1694 PWs) bands (ev): -7.8622 -7.8622 -7.8374 -7.8374 -5.6778 -5.6778 -5.6580 -5.6580 -2.3258 -2.3258 -0.0409 -0.0409 5.0599 5.0599 5.1112 5.1112 10.3930 10.3930 10.4256 10.4256 11.0717 11.0717 11.1054 11.1054 11.2465 11.2465 11.2782 11.2782 11.6293 11.6293 11.6640 11.6640 12.8999 12.8999 12.9305 12.9305 12.9761 12.9761 13.0063 13.0063 19.1854 19.1854 19.2167 19.2167 19.3304 19.3304 19.3624 19.3624 k = 0.5046 0.0616-0.0297 ( 1695 PWs) bands (ev): -7.8679 -7.8679 -7.8432 -7.8432 -5.6834 -5.6834 -5.6637 -5.6637 -2.3309 -2.3309 -0.0463 -0.0463 5.0561 5.0561 5.1074 5.1074 10.4237 10.4237 10.4399 10.4399 11.1037 11.1037 11.1203 11.1203 11.2726 11.2726 11.2884 11.2884 11.6332 11.6332 11.6681 11.6681 12.9328 12.9328 12.9480 12.9480 12.9943 12.9943 13.0092 13.0092 19.1905 19.1905 19.2060 19.2060 19.3293 19.3293 19.3452 19.3452 k = 0.5023 0.0614 0.0030 ( 1697 PWs) bands (ev): -7.8714 -7.8714 -7.8467 -7.8467 -5.6868 -5.6868 -5.6671 -5.6671 -2.3341 -2.3341 -0.0495 -0.0495 5.0539 5.0539 5.1051 5.1051 10.4411 10.4411 10.4498 10.4498 11.1218 11.1218 11.1306 11.1306 11.2869 11.2869 11.2958 11.2958 11.6355 11.6355 11.6705 11.6705 12.9523 12.9523 12.9611 12.9611 13.0026 13.0026 13.0114 13.0114 19.1922 19.1922 19.2009 19.2009 19.3272 19.3272 19.3360 19.3360 k = 0.5000 0.0611 0.0356 ( 1696 PWs) bands (ev): -7.8726 -7.8726 -7.8479 -7.8479 -5.6879 -5.6879 -5.6682 -5.6682 -2.3351 -2.3351 -0.0506 -0.0506 5.0531 5.0531 5.1044 5.1044 10.4461 10.4461 10.4540 10.4540 11.1269 11.1269 11.1350 11.1350 11.2909 11.2909 11.2992 11.2992 11.6363 11.6363 11.6713 11.6713 12.9581 12.9581 12.9669 12.9669 13.0040 13.0040 13.0129 13.0129 19.1920 19.1920 19.2001 19.2001 19.3256 19.3256 19.3338 19.3338 k = 0.5000-2.0158-1.1754 ( 1710 PWs) bands (ev): -2.7183 -2.7183 -2.3671 -2.3671 -1.8835 -1.8835 -0.8480 -0.8480 -0.8019 -0.8019 0.0643 0.0643 1.3152 1.3152 1.6081 1.6081 2.4296 2.4296 2.7843 2.7843 5.6973 5.6973 6.6571 6.6571 7.2496 7.2496 7.2590 7.2590 7.2808 7.2808 8.7080 8.7080 8.9914 8.9914 9.0011 9.0011 9.8837 9.8837 10.5368 10.5368 18.1852 18.1852 18.2400 18.2400 19.7911 19.7911 19.8833 19.8833 k = 0.5300-2.0102-1.1722 ( 1710 PWs) bands (ev): -2.7178 -2.7178 -2.3683 -2.3683 -1.8828 -1.8828 -0.8680 -0.8680 -0.7812 -0.7812 0.0684 0.0684 1.2824 1.2824 1.6421 1.6421 2.4097 2.4097 2.8015 2.8015 5.6894 5.6894 6.6590 6.6590 7.2394 7.2394 7.2515 7.2515 7.3019 7.3019 8.7124 8.7124 8.9286 8.9286 9.0641 9.0641 9.8805 9.8805 10.5348 10.5348 18.1743 18.1743 18.2526 18.2526 19.7567 19.7567 19.8968 19.8968 k = 0.5600-2.0047-1.1689 ( 1708 PWs) bands (ev): -2.7163 -2.7163 -2.3720 -2.3720 -1.8805 -1.8805 -0.9011 -0.9011 -0.7463 -0.7463 0.0807 0.0807 1.2091 1.2091 1.7189 1.7189 2.3586 2.3586 2.8443 2.8443 5.6667 5.6667 6.6629 6.6629 7.2138 7.2138 7.2576 7.2576 7.3327 7.3327 8.7251 8.7251 8.8616 8.8616 9.1318 9.1318 9.8711 9.8711 10.5289 10.5289 18.1538 18.1538 18.2784 18.2784 19.6944 19.6944 19.8643 19.8643 k = 0.5900-1.9991-1.1657 ( 1702 PWs) bands (ev): -2.7139 -2.7139 -2.3778 -2.3778 -1.8768 -1.8768 -0.9357 -0.9357 -0.7083 -0.7083 0.1008 0.1008 1.1220 1.1220 1.8120 1.8120 2.2902 2.2902 2.8984 2.8984 5.6322 5.6322 6.6646 6.6646 7.1892 7.1892 7.2704 7.2704 7.3658 7.3658 8.7457 8.7457 8.7948 8.7948 9.1997 9.1997 9.8556 9.8556 10.5191 10.5191 18.1323 18.1323 18.3087 18.3087 19.6263 19.6263 19.8003 19.8003 k = 0.6200-1.9936-1.1624 ( 1701 PWs) bands (ev): -2.7106 -2.7106 -2.3858 -2.3858 -1.8716 -1.8716 -0.9708 -0.9708 -0.6682 -0.6682 0.1282 0.1282 1.0305 1.0305 1.9116 1.9116 2.2130 2.2130 2.9550 2.9550 5.5897 5.5897 6.6590 6.6590 7.1662 7.1662 7.2926 7.2926 7.4008 7.4008 8.7285 8.7285 8.7731 8.7731 9.2673 9.2673 9.8342 9.8342 10.5053 10.5053 18.1116 18.1116 18.3417 18.3417 19.5568 19.5568 19.7312 19.7312 k = 0.6500-1.9880-1.1592 ( 1697 PWs) bands (ev): -2.7064 -2.7064 -2.3957 -2.3957 -1.8651 -1.8651 -1.0057 -1.0057 -0.6262 -0.6262 0.1624 0.1624 0.9383 0.9383 2.0133 2.0133 2.1319 2.1319 3.0092 3.0092 5.5430 5.5430 6.6423 6.6423 7.1449 7.1449 7.3258 7.3258 7.4374 7.4374 8.6628 8.6628 8.8063 8.8063 9.3348 9.3348 9.8074 9.8074 10.4878 10.4878 18.0922 18.0922 18.3768 18.3768 19.4877 19.4877 19.6615 19.6615 k = 0.6800-1.9825-1.1560 ( 1697 PWs) bands (ev): -2.7015 -2.7015 -2.4069 -2.4069 -1.8574 -1.8574 -1.0403 -1.0403 -0.5821 -0.5821 0.2027 0.2027 0.8469 0.8469 2.0410 2.0410 2.1237 2.1237 3.0578 3.0578 5.4959 5.4959 6.6134 6.6134 7.1253 7.1253 7.3693 7.3693 7.4756 7.4756 8.5978 8.5978 8.8435 8.8435 9.4017 9.4017 9.7756 9.7756 10.4665 10.4665 18.0744 18.0744 18.4137 18.4137 19.4202 19.4202 19.5922 19.5922 k = 0.7100-1.9769-1.1527 ( 1701 PWs) bands (ev): -2.6961 -2.6961 -2.4193 -2.4193 -1.8485 -1.8485 -1.0743 -1.0743 -0.5361 -0.5361 0.2483 0.2483 0.7573 0.7573 1.9565 1.9565 2.2267 2.2267 3.0986 3.0986 5.4516 5.4516 6.5732 6.5732 7.1075 7.1075 7.4208 7.4208 7.5155 7.5155 8.5334 8.5334 8.8838 8.8838 9.4683 9.4683 9.7392 9.7392 10.4416 10.4416 18.0582 18.0582 18.4524 18.4524 19.3553 19.3553 19.5237 19.5237 k = 0.7400-1.9714-1.1495 ( 1701 PWs) bands (ev): -2.6904 -2.6904 -2.4322 -2.4322 -1.8387 -1.8387 -1.1075 -1.1075 -0.4882 -0.4882 0.2986 0.2986 0.6705 0.6705 1.8692 1.8692 2.3317 2.3317 3.1297 3.1297 5.4130 5.4130 6.5240 6.5240 7.0915 7.0915 7.4773 7.4773 7.5570 7.5570 8.4698 8.4698 8.9264 8.9264 9.5343 9.5343 9.6991 9.6991 10.4131 10.4131 18.0436 18.0436 18.4928 18.4928 19.2941 19.2941 19.4563 19.4563 k = 0.7700-1.9658-1.1463 ( 1699 PWs) bands (ev): -2.6846 -2.6846 -2.4452 -2.4452 -1.8280 -1.8280 -1.1395 -1.1395 -0.4388 -0.4388 0.3523 0.3523 0.5878 0.5878 1.7815 1.7815 2.4363 2.4363 3.1495 3.1495 5.3820 5.3820 6.4681 6.4681 7.0772 7.0772 7.5354 7.5354 7.6000 7.6000 8.4071 8.4071 8.9704 8.9704 9.5995 9.5995 9.6561 9.6561 10.3812 10.3812 18.0306 18.0306 18.5348 18.5348 19.2372 19.2372 19.3900 19.3900 k = 0.8000-1.9603-1.1430 ( 1701 PWs) bands (ev): -2.6792 -2.6792 -2.4575 -2.4575 -1.8168 -1.8168 -1.1699 -1.1699 -0.3887 -0.3887 0.4050 0.4050 0.5141 0.5141 1.6939 1.6939 2.5397 2.5397 3.1569 3.1569 5.3604 5.3604 6.4082 6.4082 7.0648 7.0648 7.5923 7.5923 7.6445 7.6445 8.3452 8.3452 9.0152 9.0152 9.6109 9.6109 9.6639 9.6639 10.3460 10.3460 18.0193 18.0193 18.5782 18.5782 19.1855 19.1855 19.3252 19.3252 k = 0.8300-1.9547-1.1398 ( 1699 PWs) bands (ev): -2.6747 -2.6747 -2.4685 -2.4685 -1.8054 -1.8054 -1.1984 -1.1984 -0.3389 -0.3389 0.4112 0.4112 0.4958 0.4958 1.6068 1.6068 2.6410 2.6410 3.1514 3.1514 5.3489 5.3489 6.3465 6.3465 7.0541 7.0541 7.6452 7.6452 7.6905 7.6905 8.2844 8.2844 9.0604 9.0604 9.5646 9.5646 9.7273 9.7273 10.3078 10.3078 18.0095 18.0095 18.6229 18.6229 19.1396 19.1396 19.2619 19.2619 Writing output data file C.save init_run : 0.72s CPU 0.61s WALL ( 1 calls) electrons : 802.18s CPU 567.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.49s CPU 0.46s WALL ( 1 calls) Called by electrons: c_bands : 802.17s CPU 567.93s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.02s WALL ( 1 calls) newd : 0.03s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.17s CPU 0.18s WALL ( 439 calls) cegterg : 645.70s CPU 481.87s WALL ( 676 calls) Called by sum_band: Called by *egterg: h_psi : 622.81s CPU 398.17s WALL ( 11438 calls) s_psi : 3.22s CPU 2.51s WALL ( 11438 calls) g_psi : 0.08s CPU 0.06s WALL ( 10323 calls) cdiaghg : 143.60s CPU 136.74s WALL ( 10762 calls) cegterg:over : 8.47s CPU 8.38s WALL ( 10323 calls) cegterg:upda : 3.79s CPU 3.67s WALL ( 10323 calls) cegterg:last : 2.15s CPU 2.27s WALL ( 1554 calls) cdiaghg:chol : 5.36s CPU 5.09s WALL ( 10762 calls) cdiaghg:inve : 1.86s CPU 1.77s WALL ( 10762 calls) cdiaghg:para : 8.61s CPU 8.50s WALL ( 21524 calls) Called by h_psi: h_psi:vloc : 610.69s CPU 388.18s WALL ( 11438 calls) h_psi:vnl : 12.04s CPU 9.91s WALL ( 11438 calls) add_vuspsi : 4.91s CPU 3.94s WALL ( 11438 calls) General routines calbec : 7.08s CPU 5.93s WALL ( 11438 calls) fft : 0.10s CPU 0.06s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 579.70s CPU 363.47s WALL ( 965704 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.15s CPU 0.33s WALL ( 878 calls) Parallel routines fft_scatter : 218.84s CPU 170.82s WALL ( 965727 calls) PWSCF : 14m 0.54s CPU 11m 3.29s WALL This run was terminated on: 2: 9: 8 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=