Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:55:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Fe3S4.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 58 17 1389 939 156 Max 76 59 18 1391 953 157 Sum 2703 2097 629 50039 34065 5631 bravais-lattice index = 14 lattice parameter (alat) = 22.0592 a.u. unit-cell volume = 809.2523 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 22.059152 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.955818 celldm(5)= 0.955818 celldm(6)= 0.955818 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.955818 0.293960 0.000000 ) a(3) = ( 0.955818 0.143660 0.256465 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.251520 -1.905539 ) b(2) = ( 0.000000 3.401820 -1.905539 ) b(3) = ( 0.000000 0.000000 3.899161 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 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= 326 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0094340 -0.0306747 -0.0179768), wk = 0.0030675 k( 3) = ( 0.0188679 -0.0613494 -0.0359536), wk = 0.0030675 k( 4) = ( 0.0283019 -0.0920241 -0.0539304), wk = 0.0030675 k( 5) = ( 0.0377359 -0.1226989 -0.0719071), wk = 0.0030675 k( 6) = ( 0.0471698 -0.1533736 -0.0898839), wk = 0.0030675 k( 7) = ( 0.0566038 -0.1840483 -0.1078607), wk = 0.0030675 k( 8) = ( 0.0660377 -0.2147230 -0.1258375), wk = 0.0030675 k( 9) = ( 0.0754717 -0.2453977 -0.1438143), wk = 0.0030675 k( 10) = ( 0.0849057 -0.2760724 -0.1617911), wk = 0.0030675 k( 11) = ( 0.0943396 -0.3067471 -0.1797678), wk = 0.0030675 k( 12) = ( 0.1037736 -0.3374218 -0.1977446), wk = 0.0030675 k( 13) = ( 0.1132076 -0.3680966 -0.2157214), wk = 0.0030675 k( 14) = ( 0.1226415 -0.3987713 -0.2336982), wk = 0.0030675 k( 15) = ( 0.1320755 -0.4294460 -0.2516750), wk = 0.0030675 k( 16) = ( 0.1415094 -0.4601207 -0.2696518), wk = 0.0030675 k( 17) = ( 0.1509434 -0.4907954 -0.2876286), wk = 0.0030675 k( 18) = ( 0.1603774 -0.5214701 -0.3056053), wk = 0.0030675 k( 19) = ( 0.1698113 -0.5521448 -0.3235821), wk = 0.0030675 k( 20) = ( 0.1792453 -0.5828195 -0.3415589), wk = 0.0030675 k( 21) = ( 0.1886792 -0.6134943 -0.3595357), wk = 0.0030675 k( 22) = ( 0.1981132 -0.6441690 -0.3775125), wk = 0.0030675 k( 23) = ( 0.2075472 -0.6748437 -0.3954893), wk = 0.0030675 k( 24) = ( 0.2169811 -0.7055184 -0.4134660), wk = 0.0030675 k( 25) = ( 0.2264151 -0.7361931 -0.4314428), wk = 0.0030675 k( 26) = ( 0.2358491 -0.7668678 -0.4494196), wk = 0.0030675 k( 27) = ( 0.2452830 -0.7975425 -0.4673964), wk = 0.0030675 k( 28) = ( 0.2547170 -0.8282172 -0.4853732), wk = 0.0030675 k( 29) = ( 0.2641509 -0.8588919 -0.5033500), wk = 0.0030675 k( 30) = ( 0.2735849 -0.8895667 -0.5213268), wk = 0.0030675 k( 31) = ( 0.2830189 -0.9202414 -0.5393035), wk = 0.0030675 k( 32) = ( 0.2924528 -0.9509161 -0.5572803), wk = 0.0030675 k( 33) = ( 0.3018868 -0.9815908 -0.5752571), wk = 0.0030675 k( 34) = ( 0.3113207 -1.0122655 -0.5932339), wk = 0.0030675 k( 35) = ( 0.3207547 -1.0429402 -0.6112107), wk = 0.0030675 k( 36) = ( 0.3301887 -1.0736149 -0.6291875), wk = 0.0030675 k( 37) = ( 0.3396226 -1.1042896 -0.6471642), wk = 0.0030675 k( 38) = ( 0.3490566 -1.1349643 -0.6651410), wk = 0.0030675 k( 39) = ( 0.3584906 -1.1656391 -0.6831178), wk = 0.0030675 k( 40) = ( 0.3679245 -1.1963138 -0.7010946), wk = 0.0030675 k( 41) = ( 0.3773585 -1.2269885 -0.7190714), wk = 0.0030675 k( 42) = ( 0.3867925 -1.2576632 -0.7370482), wk = 0.0030675 k( 43) = ( 0.3962264 -1.2883379 -0.7550250), wk = 0.0030675 k( 44) = ( 0.4056604 -1.3190126 -0.7730017), wk = 0.0030675 k( 45) = ( 0.4150943 -1.3496873 -0.7909785), wk = 0.0030675 k( 46) = ( 0.4245283 -1.3803621 -0.8089553), wk = 0.0030675 k( 47) = ( 0.4339623 -1.4110368 -0.8269321), wk = 0.0030675 k( 48) = ( 0.4433962 -1.4417115 -0.8449089), wk = 0.0030675 k( 49) = ( 0.4528302 -1.4723862 -0.8628857), wk = 0.0030675 k( 50) = ( 0.4622641 -1.5030609 -0.8808624), wk = 0.0030675 k( 51) = ( 0.4716981 -1.5337356 -0.8988392), wk = 0.0030675 k( 52) = ( 0.4811321 -1.5644103 -0.9168160), wk = 0.0030675 k( 53) = ( 0.4905660 -1.5950851 -0.9347928), wk = 0.0030675 k( 54) = ( 0.5000000 -1.6257598 -0.9527696), wk = 0.0030675 k( 55) = ( 0.5000000 -1.6257598 -0.9527696), wk = 0.0030675 k( 56) = ( 0.5000000 -1.6075042 -0.9839199), wk = 0.0030675 k( 57) = ( 0.5000000 -1.5892487 -1.0150703), wk = 0.0030675 k( 58) = ( 0.5000000 -1.5709932 -1.0462206), wk = 0.0030675 k( 59) = ( 0.5000000 -1.5527376 -1.0773710), wk = 0.0030675 k( 60) = ( 0.5000000 -1.5344821 -1.1085213), wk = 0.0030675 k( 61) = ( 0.5000000 -1.5162266 -1.1396716), wk = 0.0030675 k( 62) = ( 0.5000000 -1.4979711 -1.1708220), wk = 0.0030675 k( 63) = ( 0.5000000 -1.4797155 -1.2019723), wk = 0.0030675 k( 64) = ( 0.5000000 -1.4614600 -1.2331227), wk = 0.0030675 k( 65) = ( 0.5000000 -1.4432045 -1.2642730), wk = 0.0030675 k( 66) = ( 0.5000000 -1.4249490 -1.2954234), wk = 0.0030675 k( 67) = ( 0.5000000 -1.4066934 -1.3265737), wk = 0.0030675 k( 68) = ( 0.5000000 -1.3884379 -1.3577241), wk = 0.0030675 k( 69) = ( 0.5000000 -1.3701824 -1.3888744), wk = 0.0030675 k( 70) = ( 0.5000000 -1.3519269 -1.4200247), wk = 0.0030675 k( 71) = ( 0.5000000 -1.3336713 -1.4511751), wk = 0.0030675 k( 72) = ( 0.5000000 -1.3154158 -1.4823254), wk = 0.0030675 k( 73) = ( 0.5000000 -1.2971603 -1.5134758), wk = 0.0030675 k( 74) = ( 0.5000000 -1.2789047 -1.5446261), wk = 0.0030675 k( 75) = ( 0.5000000 -1.2606492 -1.5757765), wk = 0.0030675 k( 76) = ( 0.5000000 -1.2423937 -1.6069268), wk = 0.0030675 k( 77) = ( 0.5000000 -1.2241382 -1.6380772), wk = 0.0030675 k( 78) = ( 0.5000000 -1.2058826 -1.6692275), wk = 0.0030675 k( 79) = ( 0.5000000 -1.1876271 -1.7003778), wk = 0.0030675 k( 80) = ( 0.5000000 -1.1693716 -1.7315282), wk = 0.0030675 k( 81) = ( 0.5000000 -1.1511161 -1.7626785), wk = 0.0030675 k( 82) = ( 0.5000000 -1.1328605 -1.7938289), wk = 0.0030675 k( 83) = ( 0.5000000 -1.1146050 -1.8249792), wk = 0.0030675 k( 84) = ( 0.5000000 -1.0963494 -1.8561296), wk = 0.0030675 k( 85) = ( 0.5000000 -1.0780939 -1.8872800), wk = 0.0030675 k( 86) = ( 0.5000000 -1.0598384 -1.9184303), wk = 0.0030675 k( 87) = ( 0.5000000 -1.0415829 -1.9495807), wk = 0.0030675 k( 88) = ( 0.8282752 -0.9922430 -1.8614977), wk = 0.0030675 k( 89) = ( 0.8228039 -0.9744531 -1.8297387), wk = 0.0030675 k( 90) = ( 0.8173327 -0.9566632 -1.7979797), wk = 0.0030675 k( 91) = ( 0.8118614 -0.9388733 -1.7662207), wk = 0.0030675 k( 92) = ( 0.8063902 -0.9210834 -1.7344617), wk = 0.0030675 k( 93) = ( 0.8009189 -0.9032935 -1.7027028), wk = 0.0030675 k( 94) = ( 0.7954477 -0.8855036 -1.6709437), wk = 0.0030675 k( 95) = ( 0.7899764 -0.8677138 -1.6391848), wk = 0.0030675 k( 96) = ( 0.7845052 -0.8499239 -1.6074258), wk = 0.0030675 k( 97) = ( 0.7790339 -0.8321340 -1.5756668), wk = 0.0030675 k( 98) = ( 0.7735627 -0.8143441 -1.5439078), wk = 0.0030675 k( 99) = ( 0.7680914 -0.7965542 -1.5121489), wk = 0.0030675 k( 100) = ( 0.7626202 -0.7787643 -1.4803899), wk = 0.0030675 k( 101) = ( 0.7571489 -0.7609744 -1.4486309), wk = 0.0030675 k( 102) = ( 0.7516776 -0.7431846 -1.4168719), wk = 0.0030675 k( 103) = ( 0.7462064 -0.7253947 -1.3851129), wk = 0.0030675 k( 104) = ( 0.7407351 -0.7076048 -1.3533539), wk = 0.0030675 k( 105) = ( 0.7352639 -0.6898149 -1.3215949), wk = 0.0030675 k( 106) = ( 0.7297926 -0.6720250 -1.2898360), wk = 0.0030675 k( 107) = ( 0.7243214 -0.6542351 -1.2580769), wk = 0.0030675 k( 108) = ( 0.7188501 -0.6364452 -1.2263180), wk = 0.0030675 k( 109) = ( 0.7133789 -0.6186554 -1.1945590), wk = 0.0030675 k( 110) = ( 0.7079076 -0.6008655 -1.1628000), wk = 0.0030675 k( 111) = ( 0.7024364 -0.5830756 -1.1310410), wk = 0.0030675 k( 112) = ( 0.6969651 -0.5652857 -1.0992820), wk = 0.0030675 k( 113) = ( 0.6914939 -0.5474958 -1.0675230), wk = 0.0030675 k( 114) = ( 0.6860226 -0.5297059 -1.0357641), wk = 0.0030675 k( 115) = ( 0.6805514 -0.5119160 -1.0040051), wk = 0.0030675 k( 116) = ( 0.6750801 -0.4941261 -0.9722461), wk = 0.0030675 k( 117) = ( 0.6696089 -0.4763363 -0.9404871), wk = 0.0030675 k( 118) = ( 0.6641376 -0.4585464 -0.9087281), wk = 0.0030675 k( 119) = ( 0.6586663 -0.4407565 -0.8769691), wk = 0.0030675 k( 120) = ( 0.6531951 -0.4229666 -0.8452101), wk = 0.0030675 k( 121) = ( 0.6477238 -0.4051767 -0.8134512), wk = 0.0030675 k( 122) = ( 0.6422526 -0.3873868 -0.7816921), wk = 0.0030675 k( 123) = ( 0.6367813 -0.3695969 -0.7499332), wk = 0.0030675 k( 124) = ( 0.6313101 -0.3518071 -0.7181742), wk = 0.0030675 k( 125) = ( 0.6258388 -0.3340171 -0.6864152), wk = 0.0030675 k( 126) = ( 0.6203676 -0.3162273 -0.6546562), wk = 0.0030675 k( 127) = ( 0.6148963 -0.2984374 -0.6228972), wk = 0.0030675 k( 128) = ( 0.6094251 -0.2806475 -0.5911382), wk = 0.0030675 k( 129) = ( 0.6039538 -0.2628576 -0.5593793), wk = 0.0030675 k( 130) = ( 0.5984826 -0.2450677 -0.5276203), wk = 0.0030675 k( 131) = ( 0.5930113 -0.2272779 -0.4958613), wk = 0.0030675 k( 132) = ( 0.5875400 -0.2094879 -0.4641023), wk = 0.0030675 k( 133) = ( 0.5820688 -0.1916981 -0.4323433), wk = 0.0030675 k( 134) = ( 0.5765976 -0.1739082 -0.4005844), wk = 0.0030675 k( 135) = ( 0.5711263 -0.1561183 -0.3688253), wk = 0.0030675 k( 136) = ( 0.5656550 -0.1383284 -0.3370664), wk = 0.0030675 k( 137) = ( 0.5601838 -0.1205385 -0.3053074), wk = 0.0030675 k( 138) = ( 0.5547125 -0.1027486 -0.2735484), wk = 0.0030675 k( 139) = ( 0.5492413 -0.0849588 -0.2417894), wk = 0.0030675 k( 140) = ( 0.5437700 -0.0671689 -0.2100304), wk = 0.0030675 k( 141) = ( 0.5382988 -0.0493790 -0.1782714), wk = 0.0030675 k( 142) = ( 0.5328275 -0.0315891 -0.1465124), wk = 0.0030675 k( 143) = ( 0.5273563 -0.0137992 -0.1147535), wk = 0.0030675 k( 144) = ( 0.5218850 0.0039907 -0.0829945), wk = 0.0030675 k( 145) = ( 0.5164138 0.0217806 -0.0512355), wk = 0.0030675 k( 146) = ( 0.5109425 0.0395704 -0.0194765), wk = 0.0030675 k( 147) = ( 0.5054713 0.0573604 0.0122825), wk = 0.0030675 k( 148) = ( 0.5000000 0.0751502 0.0440415), wk = 0.0030675 k( 149) = ( 0.5000000 0.0751502 0.0440415), wk = 0.0030675 k( 150) = ( 0.4642857 0.0697824 0.0408957), wk = 0.0030675 k( 151) = ( 0.4285714 0.0644145 0.0377498), wk = 0.0030675 k( 152) = ( 0.3928571 0.0590466 0.0346040), wk = 0.0030675 k( 153) = ( 0.3571429 0.0536787 0.0314582), wk = 0.0030675 k( 154) = ( 0.3214286 0.0483109 0.0283124), wk = 0.0030675 k( 155) = ( 0.2857143 0.0429430 0.0251666), wk = 0.0030675 k( 156) = ( 0.2500000 0.0375751 0.0220207), wk = 0.0030675 k( 157) = ( 0.2142857 0.0322072 0.0188749), wk = 0.0030675 k( 158) = ( 0.1785714 0.0268394 0.0157291), wk = 0.0030675 k( 159) = ( 0.1428571 0.0214715 0.0125833), wk = 0.0030675 k( 160) = ( 0.1071429 0.0161036 0.0094375), wk = 0.0030675 k( 161) = ( 0.0714286 0.0107357 0.0062916), wk = 0.0030675 k( 162) = ( 0.0357143 0.0053679 0.0031458), wk = 0.0030675 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 165) = ( 0.0055059 -0.0179027 -0.0319603), wk = 0.0030675 k( 166) = ( 0.0110119 -0.0358053 -0.0639207), wk = 0.0030675 k( 167) = ( 0.0165178 -0.0537080 -0.0958810), wk = 0.0030675 k( 168) = ( 0.0220238 -0.0716107 -0.1278413), wk = 0.0030675 k( 169) = ( 0.0275297 -0.0895134 -0.1598017), wk = 0.0030675 k( 170) = ( 0.0330356 -0.1074161 -0.1917621), wk = 0.0030675 k( 171) = ( 0.0385416 -0.1253187 -0.2237224), wk = 0.0030675 k( 172) = ( 0.0440475 -0.1432214 -0.2556827), wk = 0.0030675 k( 173) = ( 0.0495535 -0.1611241 -0.2876430), wk = 0.0030675 k( 174) = ( 0.0550594 -0.1790267 -0.3196034), wk = 0.0030675 k( 175) = ( 0.0605653 -0.1969294 -0.3515637), wk = 0.0030675 k( 176) = ( 0.0660713 -0.2148321 -0.3835240), wk = 0.0030675 k( 177) = ( 0.0715772 -0.2327348 -0.4154844), wk = 0.0030675 k( 178) = ( 0.0770832 -0.2506374 -0.4474447), wk = 0.0030675 k( 179) = ( 0.0825891 -0.2685401 -0.4794051), wk = 0.0030675 k( 180) = ( 0.0880951 -0.2864428 -0.5113654), wk = 0.0030675 k( 181) = ( 0.0936010 -0.3043455 -0.5433258), wk = 0.0030675 k( 182) = ( 0.0991069 -0.3222481 -0.5752861), wk = 0.0030675 k( 183) = ( 0.1046129 -0.3401508 -0.6072464), wk = 0.0030675 k( 184) = ( 0.1101188 -0.3580535 -0.6392068), wk = 0.0030675 k( 185) = ( 0.1156248 -0.3759562 -0.6711671), wk = 0.0030675 k( 186) = ( 0.1211307 -0.3938588 -0.7031274), wk = 0.0030675 k( 187) = ( 0.1266366 -0.4117615 -0.7350878), wk = 0.0030675 k( 188) = ( 0.1321426 -0.4296642 -0.7670481), wk = 0.0030675 k( 189) = ( 0.1376485 -0.4475669 -0.7990085), wk = 0.0030675 k( 190) = ( 0.1431545 -0.4654696 -0.8309688), wk = 0.0030675 k( 191) = ( 0.1486604 -0.4833722 -0.8629291), wk = 0.0030675 k( 192) = ( 0.1541664 -0.5012749 -0.8948895), wk = 0.0030675 k( 193) = ( 0.1596723 -0.5191776 -0.9268498), wk = 0.0030675 k( 194) = ( 0.1651782 -0.5370802 -0.9588101), wk = 0.0030675 k( 195) = ( 0.1706842 -0.5549829 -0.9907705), wk = 0.0030675 k( 196) = ( 0.1761901 -0.5728856 -1.0227308), wk = 0.0030675 k( 197) = ( 0.1816960 -0.5907883 -1.0546911), wk = 0.0030675 k( 198) = ( 0.1872020 -0.6086910 -1.0866515), wk = 0.0030675 k( 199) = ( 0.1927079 -0.6265936 -1.1186119), wk = 0.0030675 k( 200) = ( 0.1982139 -0.6444963 -1.1505722), wk = 0.0030675 k( 201) = ( 0.2037198 -0.6623990 -1.1825325), wk = 0.0030675 k( 202) = ( 0.2092258 -0.6803016 -1.2144929), wk = 0.0030675 k( 203) = ( 0.2147317 -0.6982043 -1.2464532), wk = 0.0030675 k( 204) = ( 0.2202376 -0.7161070 -1.2784135), wk = 0.0030675 k( 205) = ( 0.2257436 -0.7340097 -1.3103739), wk = 0.0030675 k( 206) = ( 0.2312495 -0.7519123 -1.3423342), wk = 0.0030675 k( 207) = ( 0.2367555 -0.7698150 -1.3742945), wk = 0.0030675 k( 208) = ( 0.2422614 -0.7877177 -1.4062549), wk = 0.0030675 k( 209) = ( 0.2477673 -0.8056204 -1.4382152), wk = 0.0030675 k( 210) = ( 0.2532733 -0.8235230 -1.4701756), wk = 0.0030675 k( 211) = ( 0.2587792 -0.8414257 -1.5021359), wk = 0.0030675 k( 212) = ( 0.2642852 -0.8593284 -1.5340962), wk = 0.0030675 k( 213) = ( 0.2697911 -0.8772311 -1.5660566), wk = 0.0030675 k( 214) = ( 0.2752970 -0.8951337 -1.5980169), wk = 0.0030675 k( 215) = ( 0.2808030 -0.9130364 -1.6299772), wk = 0.0030675 k( 216) = ( 0.2863089 -0.9309391 -1.6619376), wk = 0.0030675 k( 217) = ( 0.2918149 -0.9488417 -1.6938979), wk = 0.0030675 k( 218) = ( 0.2973208 -0.9667444 -1.7258583), wk = 0.0030675 k( 219) = ( 0.3028268 -0.9846471 -1.7578186), wk = 0.0030675 k( 220) = ( 0.3083327 -1.0025498 -1.7897790), wk = 0.0030675 k( 221) = ( 0.3138386 -1.0204525 -1.8217393), wk = 0.0030675 k( 222) = ( 0.3193446 -1.0383551 -1.8536996), wk = 0.0030675 k( 223) = ( 0.3248505 -1.0562578 -1.8856600), wk = 0.0030675 k( 224) = ( 0.3303565 -1.0741605 -1.9176203), wk = 0.0030675 k( 225) = ( 0.3358624 -1.0920631 -1.9495806), wk = 0.0030675 k( 226) = ( 0.6641376 -1.0169129 -1.9055392), wk = 0.0030675 k( 227) = ( 0.6586663 -0.9805108 -1.9055392), wk = 0.0030675 k( 228) = ( 0.6531951 -0.9441087 -1.9055392), wk = 0.0030675 k( 229) = ( 0.6477238 -0.9077066 -1.9055392), wk = 0.0030675 k( 230) = ( 0.6422526 -0.8713045 -1.9055392), wk = 0.0030675 k( 231) = ( 0.6367813 -0.8349024 -1.9055392), wk = 0.0030675 k( 232) = ( 0.6313101 -0.7985003 -1.9055392), wk = 0.0030675 k( 233) = ( 0.6258388 -0.7620982 -1.9055392), wk = 0.0030675 k( 234) = ( 0.6203676 -0.7256961 -1.9055392), wk = 0.0030675 k( 235) = ( 0.6148963 -0.6892940 -1.9055392), wk = 0.0030675 k( 236) = ( 0.6094251 -0.6528918 -1.9055392), wk = 0.0030675 k( 237) = ( 0.6039538 -0.6164898 -1.9055392), wk = 0.0030675 k( 238) = ( 0.5984826 -0.5800877 -1.9055392), wk = 0.0030675 k( 239) = ( 0.5930113 -0.5436856 -1.9055392), wk = 0.0030675 k( 240) = ( 0.5875400 -0.5072834 -1.9055392), wk = 0.0030675 k( 241) = ( 0.5820688 -0.4708814 -1.9055392), wk = 0.0030675 k( 242) = ( 0.5765976 -0.4344793 -1.9055392), wk = 0.0030675 k( 243) = ( 0.5711263 -0.3980771 -1.9055392), wk = 0.0030675 k( 244) = ( 0.5656550 -0.3616750 -1.9055392), wk = 0.0030675 k( 245) = ( 0.5601838 -0.3252730 -1.9055392), wk = 0.0030675 k( 246) = ( 0.5547125 -0.2888708 -1.9055392), wk = 0.0030675 k( 247) = ( 0.5492413 -0.2524687 -1.9055392), wk = 0.0030675 k( 248) = ( 0.5437700 -0.2160666 -1.9055392), wk = 0.0030675 k( 249) = ( 0.5382988 -0.1796645 -1.9055392), wk = 0.0030675 k( 250) = ( 0.5328275 -0.1432624 -1.9055392), wk = 0.0030675 k( 251) = ( 0.5273563 -0.1068603 -1.9055392), wk = 0.0030675 k( 252) = ( 0.5218850 -0.0704582 -1.9055392), wk = 0.0030675 k( 253) = ( 0.5164138 -0.0340561 -1.9055392), wk = 0.0030675 k( 254) = ( 0.5109425 0.0023460 -1.9055392), wk = 0.0030675 k( 255) = ( 0.5054713 0.0387481 -1.9055392), wk = 0.0030675 k( 256) = ( 0.5000000 0.0751502 -1.9055392), wk = 0.0030675 k( 257) = ( 0.5000000 0.0751502 -1.9055392), wk = 0.0030675 k( 258) = ( 0.5328275 0.0800842 -1.8967309), wk = 0.0030675 k( 259) = ( 0.5656550 0.0850182 -1.8879226), wk = 0.0030675 k( 260) = ( 0.5984826 0.0899522 -1.8791143), wk = 0.0030675 k( 261) = ( 0.6313101 0.0948862 -1.8703060), wk = 0.0030675 k( 262) = ( 0.6641376 0.0998202 -1.8614977), wk = 0.0030675 k( 263) = ( 0.6641376 0.0998202 -1.8614977), wk = 0.0030675 k( 264) = ( 0.6609811 0.0993458 -1.8248527), wk = 0.0030675 k( 265) = ( 0.6578246 0.0988713 -1.7882077), wk = 0.0030675 k( 266) = ( 0.6546681 0.0983969 -1.7515627), wk = 0.0030675 k( 267) = ( 0.6515116 0.0979225 -1.7149178), wk = 0.0030675 k( 268) = ( 0.6483551 0.0974481 -1.6782728), wk = 0.0030675 k( 269) = ( 0.6451986 0.0969737 -1.6416278), wk = 0.0030675 k( 270) = ( 0.6420421 0.0964992 -1.6049828), wk = 0.0030675 k( 271) = ( 0.6388857 0.0960248 -1.5683378), wk = 0.0030675 k( 272) = ( 0.6357292 0.0955504 -1.5316928), wk = 0.0030675 k( 273) = ( 0.6325727 0.0950760 -1.4950478), wk = 0.0030675 k( 274) = ( 0.6294162 0.0946015 -1.4584028), wk = 0.0030675 k( 275) = ( 0.6262597 0.0941271 -1.4217579), wk = 0.0030675 k( 276) = ( 0.6231032 0.0936527 -1.3851129), wk = 0.0030675 k( 277) = ( 0.6199467 0.0931783 -1.3484679), wk = 0.0030675 k( 278) = ( 0.6167902 0.0927039 -1.3118229), wk = 0.0030675 k( 279) = ( 0.6136337 0.0922294 -1.2751779), wk = 0.0030675 k( 280) = ( 0.6104772 0.0917550 -1.2385330), wk = 0.0030675 k( 281) = ( 0.6073207 0.0912806 -1.2018880), wk = 0.0030675 k( 282) = ( 0.6041642 0.0908062 -1.1652430), wk = 0.0030675 k( 283) = ( 0.6010077 0.0903317 -1.1285980), wk = 0.0030675 k( 284) = ( 0.5978513 0.0898573 -1.0919530), wk = 0.0030675 k( 285) = ( 0.5946948 0.0893829 -1.0553081), wk = 0.0030675 k( 286) = ( 0.5915383 0.0889085 -1.0186631), wk = 0.0030675 k( 287) = ( 0.5883818 0.0884341 -0.9820181), wk = 0.0030675 k( 288) = ( 0.5852253 0.0879596 -0.9453731), wk = 0.0030675 k( 289) = ( 0.5820688 0.0874852 -0.9087281), wk = 0.0030675 k( 290) = ( 0.5789123 0.0870108 -0.8720831), wk = 0.0030675 k( 291) = ( 0.5757558 0.0865364 -0.8354381), wk = 0.0030675 k( 292) = ( 0.5725993 0.0860619 -0.7987931), wk = 0.0030675 k( 293) = ( 0.5694428 0.0855875 -0.7621482), wk = 0.0030675 k( 294) = ( 0.5662863 0.0851131 -0.7255032), wk = 0.0030675 k( 295) = ( 0.5631299 0.0846387 -0.6888582), wk = 0.0030675 k( 296) = ( 0.5599734 0.0841643 -0.6522132), wk = 0.0030675 k( 297) = ( 0.5568169 0.0836898 -0.6155682), wk = 0.0030675 k( 298) = ( 0.5536604 0.0832154 -0.5789233), wk = 0.0030675 k( 299) = ( 0.5505039 0.0827410 -0.5422783), wk = 0.0030675 k( 300) = ( 0.5473474 0.0822666 -0.5056333), wk = 0.0030675 k( 301) = ( 0.5441909 0.0817921 -0.4689883), wk = 0.0030675 k( 302) = ( 0.5410344 0.0813177 -0.4323433), wk = 0.0030675 k( 303) = ( 0.5378779 0.0808433 -0.3956983), wk = 0.0030675 k( 304) = ( 0.5347214 0.0803689 -0.3590533), wk = 0.0030675 k( 305) = ( 0.5315649 0.0798945 -0.3224084), wk = 0.0030675 k( 306) = ( 0.5284084 0.0794200 -0.2857634), wk = 0.0030675 k( 307) = ( 0.5252519 0.0789456 -0.2491184), wk = 0.0030675 k( 308) = ( 0.5220955 0.0784712 -0.2124734), wk = 0.0030675 k( 309) = ( 0.5189390 0.0779968 -0.1758284), wk = 0.0030675 k( 310) = ( 0.5157825 0.0775223 -0.1391834), wk = 0.0030675 k( 311) = ( 0.5126260 0.0770479 -0.1025385), wk = 0.0030675 k( 312) = ( 0.5094695 0.0765735 -0.0658935), wk = 0.0030675 k( 313) = ( 0.5063130 0.0760991 -0.0292485), wk = 0.0030675 k( 314) = ( 0.5031565 0.0756247 0.0073965), wk = 0.0030675 k( 315) = ( 0.5000000 0.0751502 0.0440415), wk = 0.0030675 k( 316) = ( 0.5000000 -1.6257598 -0.9527696), wk = 0.0030675 k( 317) = ( 0.5328275 -1.6182447 -0.9483654), wk = 0.0030675 k( 318) = ( 0.5656550 -1.6107297 -0.9439613), wk = 0.0030675 k( 319) = ( 0.5984826 -1.6032147 -0.9395571), wk = 0.0030675 k( 320) = ( 0.6313101 -1.5956997 -0.9351530), wk = 0.0030675 k( 321) = ( 0.6641376 -1.5881847 -0.9307489), wk = 0.0030675 k( 322) = ( 0.6969651 -1.5806696 -0.9263447), wk = 0.0030675 k( 323) = ( 0.7297926 -1.5731546 -0.9219406), wk = 0.0030675 k( 324) = ( 0.7626202 -1.5656396 -0.9175364), wk = 0.0030675 k( 325) = ( 0.7954477 -1.5581245 -0.9131323), wk = 0.0030675 k( 326) = ( 0.8282752 -1.5506095 -0.9087281), wk = 0.0030675 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0030675 k( 3) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0030675 k( 4) = ( 0.0283019 0.0000000 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0377359 0.0000000 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0471698 0.0000000 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0566038 0.0000000 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0660377 0.0000000 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0754717 0.0000000 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0849057 0.0000000 -0.0000000), wk = 0.0030675 k( 11) = ( 0.0943396 0.0000000 -0.0000000), wk = 0.0030675 k( 12) = ( 0.1037736 0.0000000 -0.0000000), wk = 0.0030675 k( 13) = ( 0.1132076 0.0000000 -0.0000000), wk = 0.0030675 k( 14) = ( 0.1226415 0.0000000 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1320755 0.0000000 -0.0000000), wk = 0.0030675 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0030675 k( 17) = ( 0.1509434 0.0000000 -0.0000000), wk = 0.0030675 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0030675 k( 19) = ( 0.1698113 0.0000000 -0.0000000), wk = 0.0030675 k( 20) = ( 0.1792453 0.0000000 -0.0000000), wk = 0.0030675 k( 21) = ( 0.1886792 -0.0000000 -0.0000000), wk = 0.0030675 k( 22) = ( 0.1981132 0.0000000 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0030675 k( 24) = ( 0.2169811 0.0000000 -0.0000000), wk = 0.0030675 k( 25) = ( 0.2264151 -0.0000000 -0.0000000), wk = 0.0030675 k( 26) = ( 0.2358491 0.0000000 -0.0000000), wk = 0.0030675 k( 27) = ( 0.2452830 0.0000000 -0.0000000), wk = 0.0030675 k( 28) = ( 0.2547170 0.0000000 -0.0000000), wk = 0.0030675 k( 29) = ( 0.2641509 0.0000000 -0.0000000), wk = 0.0030675 k( 30) = ( 0.2735849 0.0000000 -0.0000000), wk = 0.0030675 k( 31) = ( 0.2830189 0.0000000 -0.0000000), wk = 0.0030675 k( 32) = ( 0.2924528 0.0000000 -0.0000000), wk = 0.0030675 k( 33) = ( 0.3018868 0.0000000 -0.0000000), wk = 0.0030675 k( 34) = ( 0.3113207 0.0000000 -0.0000000), wk = 0.0030675 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0030675 k( 36) = ( 0.3301887 0.0000000 -0.0000000), wk = 0.0030675 k( 37) = ( 0.3396226 0.0000000 -0.0000000), wk = 0.0030675 k( 38) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0030675 k( 39) = ( 0.3584906 0.0000000 -0.0000000), wk = 0.0030675 k( 40) = ( 0.3679245 -0.0000000 -0.0000000), wk = 0.0030675 k( 41) = ( 0.3773585 0.0000000 -0.0000000), wk = 0.0030675 k( 42) = ( 0.3867925 0.0000000 -0.0000000), wk = 0.0030675 k( 43) = ( 0.3962264 0.0000000 -0.0000000), wk = 0.0030675 k( 44) = ( 0.4056604 0.0000000 -0.0000000), wk = 0.0030675 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0030675 k( 46) = ( 0.4245283 0.0000000 -0.0000000), wk = 0.0030675 k( 47) = ( 0.4339623 0.0000000 -0.0000000), wk = 0.0030675 k( 48) = ( 0.4433962 0.0000000 -0.0000000), wk = 0.0030675 k( 49) = ( 0.4528302 0.0000000 -0.0000000), wk = 0.0030675 k( 50) = ( 0.4622641 0.0000000 -0.0000000), wk = 0.0030675 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0030675 k( 52) = ( 0.4811321 0.0000000 -0.0000000), wk = 0.0030675 k( 53) = ( 0.4905660 0.0000000 -0.0000000), wk = 0.0030675 k( 54) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 56) = ( 0.5000000 0.0053664 -0.0053664), wk = 0.0030675 k( 57) = ( 0.5000000 0.0107328 -0.0107328), wk = 0.0030675 k( 58) = ( 0.5000000 0.0160992 -0.0160992), wk = 0.0030675 k( 59) = ( 0.5000000 0.0214656 -0.0214656), wk = 0.0030675 k( 60) = ( 0.5000000 0.0268320 -0.0268320), wk = 0.0030675 k( 61) = ( 0.5000000 0.0321984 -0.0321984), wk = 0.0030675 k( 62) = ( 0.5000000 0.0375648 -0.0375648), wk = 0.0030675 k( 63) = ( 0.5000000 0.0429312 -0.0429312), wk = 0.0030675 k( 64) = ( 0.5000000 0.0482976 -0.0482976), wk = 0.0030675 k( 65) = ( 0.5000000 0.0536640 -0.0536640), wk = 0.0030675 k( 66) = ( 0.5000000 0.0590304 -0.0590304), wk = 0.0030675 k( 67) = ( 0.5000000 0.0643968 -0.0643968), wk = 0.0030675 k( 68) = ( 0.5000000 0.0697632 -0.0697632), wk = 0.0030675 k( 69) = ( 0.5000000 0.0751296 -0.0751296), wk = 0.0030675 k( 70) = ( 0.5000000 0.0804960 -0.0804960), wk = 0.0030675 k( 71) = ( 0.5000000 0.0858624 -0.0858624), wk = 0.0030675 k( 72) = ( 0.5000000 0.0912288 -0.0912288), wk = 0.0030675 k( 73) = ( 0.5000000 0.0965952 -0.0965952), wk = 0.0030675 k( 74) = ( 0.5000000 0.1019616 -0.1019616), wk = 0.0030675 k( 75) = ( 0.5000000 0.1073280 -0.1073280), wk = 0.0030675 k( 76) = ( 0.5000000 0.1126944 -0.1126944), wk = 0.0030675 k( 77) = ( 0.5000000 0.1180608 -0.1180608), wk = 0.0030675 k( 78) = ( 0.5000000 0.1234272 -0.1234272), wk = 0.0030675 k( 79) = ( 0.5000000 0.1287936 -0.1287936), wk = 0.0030675 k( 80) = ( 0.5000000 0.1341600 -0.1341600), wk = 0.0030675 k( 81) = ( 0.5000000 0.1395264 -0.1395264), wk = 0.0030675 k( 82) = ( 0.5000000 0.1448928 -0.1448928), wk = 0.0030675 k( 83) = ( 0.5000000 0.1502592 -0.1502592), wk = 0.0030675 k( 84) = ( 0.5000000 0.1556256 -0.1556256), wk = 0.0030675 k( 85) = ( 0.5000000 0.1609920 -0.1609920), wk = 0.0030675 k( 86) = ( 0.5000000 0.1663584 -0.1663584), wk = 0.0030675 k( 87) = ( 0.5000000 0.1717248 -0.1717248), wk = 0.0030675 k( 88) = ( 0.8282752 0.5000000 0.1717248), wk = 0.0030675 k( 89) = ( 0.8228039 0.5000000 0.1771961), wk = 0.0030675 k( 90) = ( 0.8173327 0.5000000 0.1826673), wk = 0.0030675 k( 91) = ( 0.8118614 0.5000000 0.1881386), wk = 0.0030675 k( 92) = ( 0.8063902 0.5000000 0.1936098), wk = 0.0030675 k( 93) = ( 0.8009189 0.5000000 0.1990811), wk = 0.0030675 k( 94) = ( 0.7954477 0.5000000 0.2045523), wk = 0.0030675 k( 95) = ( 0.7899764 0.5000000 0.2100236), wk = 0.0030675 k( 96) = ( 0.7845052 0.5000000 0.2154948), wk = 0.0030675 k( 97) = ( 0.7790339 0.5000000 0.2209661), wk = 0.0030675 k( 98) = ( 0.7735627 0.5000000 0.2264373), wk = 0.0030675 k( 99) = ( 0.7680914 0.5000000 0.2319086), wk = 0.0030675 k( 100) = ( 0.7626202 0.5000000 0.2373798), wk = 0.0030675 k( 101) = ( 0.7571489 0.5000000 0.2428511), wk = 0.0030675 k( 102) = ( 0.7516776 0.5000000 0.2483223), wk = 0.0030675 k( 103) = ( 0.7462064 0.5000000 0.2537936), wk = 0.0030675 k( 104) = ( 0.7407351 0.5000000 0.2592649), wk = 0.0030675 k( 105) = ( 0.7352639 0.5000000 0.2647361), wk = 0.0030675 k( 106) = ( 0.7297926 0.5000000 0.2702074), wk = 0.0030675 k( 107) = ( 0.7243214 0.5000000 0.2756786), wk = 0.0030675 k( 108) = ( 0.7188501 0.5000000 0.2811499), wk = 0.0030675 k( 109) = ( 0.7133789 0.5000000 0.2866211), wk = 0.0030675 k( 110) = ( 0.7079076 0.5000000 0.2920924), wk = 0.0030675 k( 111) = ( 0.7024364 0.5000000 0.2975636), wk = 0.0030675 k( 112) = ( 0.6969651 0.5000000 0.3030349), wk = 0.0030675 k( 113) = ( 0.6914939 0.5000000 0.3085061), wk = 0.0030675 k( 114) = ( 0.6860226 0.5000000 0.3139774), wk = 0.0030675 k( 115) = ( 0.6805514 0.5000000 0.3194486), wk = 0.0030675 k( 116) = ( 0.6750801 0.5000000 0.3249199), wk = 0.0030675 k( 117) = ( 0.6696089 0.5000000 0.3303911), wk = 0.0030675 k( 118) = ( 0.6641376 0.5000000 0.3358624), wk = 0.0030675 k( 119) = ( 0.6586663 0.5000000 0.3413337), wk = 0.0030675 k( 120) = ( 0.6531951 0.5000000 0.3468049), wk = 0.0030675 k( 121) = ( 0.6477238 0.5000000 0.3522762), wk = 0.0030675 k( 122) = ( 0.6422526 0.5000000 0.3577474), wk = 0.0030675 k( 123) = ( 0.6367813 0.5000000 0.3632187), wk = 0.0030675 k( 124) = ( 0.6313101 0.5000000 0.3686899), wk = 0.0030675 k( 125) = ( 0.6258388 0.5000000 0.3741612), wk = 0.0030675 k( 126) = ( 0.6203676 0.5000000 0.3796324), wk = 0.0030675 k( 127) = ( 0.6148963 0.5000000 0.3851037), wk = 0.0030675 k( 128) = ( 0.6094251 0.5000000 0.3905749), wk = 0.0030675 k( 129) = ( 0.6039538 0.5000000 0.3960462), wk = 0.0030675 k( 130) = ( 0.5984826 0.5000000 0.4015174), wk = 0.0030675 k( 131) = ( 0.5930113 0.5000000 0.4069887), wk = 0.0030675 k( 132) = ( 0.5875400 0.5000000 0.4124599), wk = 0.0030675 k( 133) = ( 0.5820688 0.5000000 0.4179312), wk = 0.0030675 k( 134) = ( 0.5765976 0.5000000 0.4234024), wk = 0.0030675 k( 135) = ( 0.5711263 0.5000000 0.4288737), wk = 0.0030675 k( 136) = ( 0.5656550 0.5000000 0.4343450), wk = 0.0030675 k( 137) = ( 0.5601838 0.5000000 0.4398162), wk = 0.0030675 k( 138) = ( 0.5547125 0.5000000 0.4452875), wk = 0.0030675 k( 139) = ( 0.5492413 0.5000000 0.4507587), wk = 0.0030675 k( 140) = ( 0.5437700 0.5000000 0.4562300), wk = 0.0030675 k( 141) = ( 0.5382988 0.5000000 0.4617012), wk = 0.0030675 k( 142) = ( 0.5328275 0.5000000 0.4671725), wk = 0.0030675 k( 143) = ( 0.5273563 0.5000000 0.4726437), wk = 0.0030675 k( 144) = ( 0.5218850 0.5000000 0.4781150), wk = 0.0030675 k( 145) = ( 0.5164138 0.5000000 0.4835862), wk = 0.0030675 k( 146) = ( 0.5109425 0.5000000 0.4890575), wk = 0.0030675 k( 147) = ( 0.5054713 0.5000000 0.4945287), wk = 0.0030675 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 150) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0030675 k( 151) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0030675 k( 152) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0030675 k( 153) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0030675 k( 154) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0030675 k( 155) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0030675 k( 156) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030675 k( 157) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0030675 k( 158) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0030675 k( 159) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0030675 k( 160) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0030675 k( 161) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0030675 k( 162) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0030675 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 165) = ( 0.0055059 0.0000000 -0.0055059), wk = 0.0030675 k( 166) = ( 0.0110119 0.0000000 -0.0110119), wk = 0.0030675 k( 167) = ( 0.0165178 0.0000000 -0.0165178), wk = 0.0030675 k( 168) = ( 0.0220238 0.0000000 -0.0220238), wk = 0.0030675 k( 169) = ( 0.0275297 0.0000000 -0.0275297), wk = 0.0030675 k( 170) = ( 0.0330356 0.0000000 -0.0330356), wk = 0.0030675 k( 171) = ( 0.0385416 0.0000000 -0.0385416), wk = 0.0030675 k( 172) = ( 0.0440475 0.0000000 -0.0440475), wk = 0.0030675 k( 173) = ( 0.0495535 0.0000000 -0.0495535), wk = 0.0030675 k( 174) = ( 0.0550594 0.0000000 -0.0550594), wk = 0.0030675 k( 175) = ( 0.0605653 0.0000000 -0.0605653), wk = 0.0030675 k( 176) = ( 0.0660713 0.0000000 -0.0660713), wk = 0.0030675 k( 177) = ( 0.0715772 0.0000000 -0.0715772), wk = 0.0030675 k( 178) = ( 0.0770832 0.0000000 -0.0770832), wk = 0.0030675 k( 179) = ( 0.0825891 0.0000000 -0.0825891), wk = 0.0030675 k( 180) = ( 0.0880951 0.0000000 -0.0880951), wk = 0.0030675 k( 181) = ( 0.0936010 -0.0000000 -0.0936010), wk = 0.0030675 k( 182) = ( 0.0991069 0.0000000 -0.0991069), wk = 0.0030675 k( 183) = ( 0.1046129 0.0000000 -0.1046129), wk = 0.0030675 k( 184) = ( 0.1101188 0.0000000 -0.1101188), wk = 0.0030675 k( 185) = ( 0.1156248 0.0000000 -0.1156248), wk = 0.0030675 k( 186) = ( 0.1211307 0.0000000 -0.1211307), wk = 0.0030675 k( 187) = ( 0.1266366 0.0000000 -0.1266366), wk = 0.0030675 k( 188) = ( 0.1321426 0.0000000 -0.1321426), wk = 0.0030675 k( 189) = ( 0.1376485 0.0000000 -0.1376485), wk = 0.0030675 k( 190) = ( 0.1431545 -0.0000000 -0.1431545), wk = 0.0030675 k( 191) = ( 0.1486604 0.0000000 -0.1486604), wk = 0.0030675 k( 192) = ( 0.1541664 0.0000000 -0.1541664), wk = 0.0030675 k( 193) = ( 0.1596723 -0.0000000 -0.1596723), wk = 0.0030675 k( 194) = ( 0.1651782 0.0000000 -0.1651782), wk = 0.0030675 k( 195) = ( 0.1706842 0.0000000 -0.1706842), wk = 0.0030675 k( 196) = ( 0.1761901 0.0000000 -0.1761901), wk = 0.0030675 k( 197) = ( 0.1816960 0.0000000 -0.1816960), wk = 0.0030675 k( 198) = ( 0.1872020 -0.0000000 -0.1872020), wk = 0.0030675 k( 199) = ( 0.1927079 0.0000000 -0.1927079), wk = 0.0030675 k( 200) = ( 0.1982139 0.0000000 -0.1982139), wk = 0.0030675 k( 201) = ( 0.2037198 -0.0000000 -0.2037198), wk = 0.0030675 k( 202) = ( 0.2092258 0.0000000 -0.2092258), wk = 0.0030675 k( 203) = ( 0.2147317 0.0000000 -0.2147317), wk = 0.0030675 k( 204) = ( 0.2202376 0.0000000 -0.2202376), wk = 0.0030675 k( 205) = ( 0.2257436 0.0000000 -0.2257436), wk = 0.0030675 k( 206) = ( 0.2312495 0.0000000 -0.2312495), wk = 0.0030675 k( 207) = ( 0.2367555 0.0000000 -0.2367555), wk = 0.0030675 k( 208) = ( 0.2422614 0.0000000 -0.2422614), wk = 0.0030675 k( 209) = ( 0.2477673 -0.0000000 -0.2477674), wk = 0.0030675 k( 210) = ( 0.2532733 0.0000000 -0.2532733), wk = 0.0030675 k( 211) = ( 0.2587792 0.0000000 -0.2587792), wk = 0.0030675 k( 212) = ( 0.2642852 0.0000000 -0.2642852), wk = 0.0030675 k( 213) = ( 0.2697911 0.0000000 -0.2697911), wk = 0.0030675 k( 214) = ( 0.2752970 -0.0000000 -0.2752970), wk = 0.0030675 k( 215) = ( 0.2808030 0.0000000 -0.2808030), wk = 0.0030675 k( 216) = ( 0.2863089 -0.0000000 -0.2863089), wk = 0.0030675 k( 217) = ( 0.2918149 0.0000000 -0.2918149), wk = 0.0030675 k( 218) = ( 0.2973208 0.0000000 -0.2973208), wk = 0.0030675 k( 219) = ( 0.3028268 0.0000000 -0.3028268), wk = 0.0030675 k( 220) = ( 0.3083327 0.0000000 -0.3083327), wk = 0.0030675 k( 221) = ( 0.3138386 0.0000000 -0.3138386), wk = 0.0030675 k( 222) = ( 0.3193446 -0.0000000 -0.3193446), wk = 0.0030675 k( 223) = ( 0.3248505 0.0000000 -0.3248505), wk = 0.0030675 k( 224) = ( 0.3303565 0.0000000 -0.3303565), wk = 0.0030675 k( 225) = ( 0.3358624 -0.0000000 -0.3358624), wk = 0.0030675 k( 226) = ( 0.6641376 0.3358624 -0.0000000), wk = 0.0030675 k( 227) = ( 0.6586663 0.3413337 -0.0000000), wk = 0.0030675 k( 228) = ( 0.6531951 0.3468049 -0.0000000), wk = 0.0030675 k( 229) = ( 0.6477238 0.3522762 -0.0000000), wk = 0.0030675 k( 230) = ( 0.6422526 0.3577474 -0.0000000), wk = 0.0030675 k( 231) = ( 0.6367813 0.3632187 -0.0000000), wk = 0.0030675 k( 232) = ( 0.6313101 0.3686899 -0.0000000), wk = 0.0030675 k( 233) = ( 0.6258388 0.3741612 -0.0000000), wk = 0.0030675 k( 234) = ( 0.6203676 0.3796324 -0.0000000), wk = 0.0030675 k( 235) = ( 0.6148963 0.3851037 -0.0000000), wk = 0.0030675 k( 236) = ( 0.6094251 0.3905749 -0.0000000), wk = 0.0030675 k( 237) = ( 0.6039538 0.3960462 -0.0000000), wk = 0.0030675 k( 238) = ( 0.5984826 0.4015174 -0.0000000), wk = 0.0030675 k( 239) = ( 0.5930113 0.4069887 -0.0000000), wk = 0.0030675 k( 240) = ( 0.5875400 0.4124600 -0.0000000), wk = 0.0030675 k( 241) = ( 0.5820688 0.4179312 -0.0000000), wk = 0.0030675 k( 242) = ( 0.5765976 0.4234024 -0.0000000), wk = 0.0030675 k( 243) = ( 0.5711263 0.4288737 -0.0000000), wk = 0.0030675 k( 244) = ( 0.5656550 0.4343450 -0.0000000), wk = 0.0030675 k( 245) = ( 0.5601838 0.4398162 -0.0000000), wk = 0.0030675 k( 246) = ( 0.5547125 0.4452875 -0.0000000), wk = 0.0030675 k( 247) = ( 0.5492413 0.4507587 -0.0000000), wk = 0.0030675 k( 248) = ( 0.5437700 0.4562300 -0.0000000), wk = 0.0030675 k( 249) = ( 0.5382988 0.4617012 -0.0000000), wk = 0.0030675 k( 250) = ( 0.5328275 0.4671725 -0.0000000), wk = 0.0030675 k( 251) = ( 0.5273563 0.4726437 -0.0000000), wk = 0.0030675 k( 252) = ( 0.5218850 0.4781150 -0.0000000), wk = 0.0030675 k( 253) = ( 0.5164138 0.4835862 -0.0000000), wk = 0.0030675 k( 254) = ( 0.5109425 0.4890575 -0.0000000), wk = 0.0030675 k( 255) = ( 0.5054713 0.4945288 -0.0000000), wk = 0.0030675 k( 256) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 257) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 258) = ( 0.5328275 0.5328275 0.0343450), wk = 0.0030675 k( 259) = ( 0.5656550 0.5656550 0.0686899), wk = 0.0030675 k( 260) = ( 0.5984826 0.5984826 0.1030349), wk = 0.0030675 k( 261) = ( 0.6313101 0.6313101 0.1373798), wk = 0.0030675 k( 262) = ( 0.6641376 0.6641376 0.1717248), wk = 0.0030675 k( 263) = ( 0.6641376 0.6641376 0.1717248), wk = 0.0030675 k( 264) = ( 0.6609811 0.6609811 0.1780378), wk = 0.0030675 k( 265) = ( 0.6578246 0.6578246 0.1843508), wk = 0.0030675 k( 266) = ( 0.6546681 0.6546681 0.1906638), wk = 0.0030675 k( 267) = ( 0.6515116 0.6515116 0.1969767), wk = 0.0030675 k( 268) = ( 0.6483551 0.6483551 0.2032897), wk = 0.0030675 k( 269) = ( 0.6451986 0.6451986 0.2096027), wk = 0.0030675 k( 270) = ( 0.6420421 0.6420421 0.2159157), wk = 0.0030675 k( 271) = ( 0.6388857 0.6388857 0.2222287), wk = 0.0030675 k( 272) = ( 0.6357292 0.6357292 0.2285417), wk = 0.0030675 k( 273) = ( 0.6325727 0.6325727 0.2348546), wk = 0.0030675 k( 274) = ( 0.6294162 0.6294162 0.2411676), wk = 0.0030675 k( 275) = ( 0.6262597 0.6262597 0.2474806), wk = 0.0030675 k( 276) = ( 0.6231032 0.6231032 0.2537936), wk = 0.0030675 k( 277) = ( 0.6199467 0.6199467 0.2601066), wk = 0.0030675 k( 278) = ( 0.6167902 0.6167902 0.2664196), wk = 0.0030675 k( 279) = ( 0.6136337 0.6136337 0.2727326), wk = 0.0030675 k( 280) = ( 0.6104772 0.6104772 0.2790455), wk = 0.0030675 k( 281) = ( 0.6073207 0.6073207 0.2853585), wk = 0.0030675 k( 282) = ( 0.6041642 0.6041642 0.2916715), wk = 0.0030675 k( 283) = ( 0.6010077 0.6010078 0.2979845), wk = 0.0030675 k( 284) = ( 0.5978513 0.5978513 0.3042975), wk = 0.0030675 k( 285) = ( 0.5946948 0.5946948 0.3106105), wk = 0.0030675 k( 286) = ( 0.5915383 0.5915383 0.3169234), wk = 0.0030675 k( 287) = ( 0.5883818 0.5883818 0.3232364), wk = 0.0030675 k( 288) = ( 0.5852253 0.5852253 0.3295494), wk = 0.0030675 k( 289) = ( 0.5820688 0.5820688 0.3358624), wk = 0.0030675 k( 290) = ( 0.5789123 0.5789123 0.3421754), wk = 0.0030675 k( 291) = ( 0.5757558 0.5757558 0.3484884), wk = 0.0030675 k( 292) = ( 0.5725993 0.5725993 0.3548014), wk = 0.0030675 k( 293) = ( 0.5694428 0.5694428 0.3611143), wk = 0.0030675 k( 294) = ( 0.5662863 0.5662863 0.3674273), wk = 0.0030675 k( 295) = ( 0.5631299 0.5631299 0.3737403), wk = 0.0030675 k( 296) = ( 0.5599734 0.5599734 0.3800533), wk = 0.0030675 k( 297) = ( 0.5568169 0.5568169 0.3863663), wk = 0.0030675 k( 298) = ( 0.5536604 0.5536604 0.3926793), wk = 0.0030675 k( 299) = ( 0.5505039 0.5505039 0.3989922), wk = 0.0030675 k( 300) = ( 0.5473474 0.5473474 0.4053052), wk = 0.0030675 k( 301) = ( 0.5441909 0.5441909 0.4116182), wk = 0.0030675 k( 302) = ( 0.5410344 0.5410344 0.4179312), wk = 0.0030675 k( 303) = ( 0.5378779 0.5378779 0.4242442), wk = 0.0030675 k( 304) = ( 0.5347214 0.5347214 0.4305572), wk = 0.0030675 k( 305) = ( 0.5315649 0.5315649 0.4368701), wk = 0.0030675 k( 306) = ( 0.5284084 0.5284084 0.4431831), wk = 0.0030675 k( 307) = ( 0.5252519 0.5252519 0.4494961), wk = 0.0030675 k( 308) = ( 0.5220955 0.5220955 0.4558091), wk = 0.0030675 k( 309) = ( 0.5189390 0.5189390 0.4621221), wk = 0.0030675 k( 310) = ( 0.5157825 0.5157825 0.4684351), wk = 0.0030675 k( 311) = ( 0.5126260 0.5126260 0.4747481), wk = 0.0030675 k( 312) = ( 0.5094695 0.5094695 0.4810610), wk = 0.0030675 k( 313) = ( 0.5063130 0.5063130 0.4873740), wk = 0.0030675 k( 314) = ( 0.5031565 0.5031565 0.4936870), wk = 0.0030675 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 316) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 317) = ( 0.5328275 0.0335862 0.0335862), wk = 0.0030675 k( 318) = ( 0.5656550 0.0671725 0.0671725), wk = 0.0030675 k( 319) = ( 0.5984826 0.1007587 0.1007587), wk = 0.0030675 k( 320) = ( 0.6313101 0.1343450 0.1343450), wk = 0.0030675 k( 321) = ( 0.6641376 0.1679312 0.1679312), wk = 0.0030675 k( 322) = ( 0.6969651 0.2015174 0.2015174), wk = 0.0030675 k( 323) = ( 0.7297926 0.2351037 0.2351037), wk = 0.0030675 k( 324) = ( 0.7626202 0.2686899 0.2686899), wk = 0.0030675 k( 325) = ( 0.7954477 0.3022762 0.3022762), wk = 0.0030675 k( 326) = ( 0.8282752 0.3358624 0.3358624), wk = 0.0030675 Dense grid: 50039 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 34065 G-vectors FFT dimensions: ( 96, 96, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 238, 58) NL pseudopotentials 0.43 Mb ( 119, 238) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.01 Mb ( 1391) G-vector shells 0.01 Mb ( 1192) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 238, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.42 Mb ( 238, 2, 58) The potential is recalculated from file : ./Fe3S4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.7 secs Computing kpt #: 3 total cpu time spent up to now is 8.6 secs Computing kpt #: 4 total cpu time spent up to now is 10.6 secs Computing kpt #: 5 total cpu time spent up to now is 12.5 secs Computing kpt #: 6 total cpu time spent up to now is 14.4 secs Computing kpt #: 7 total cpu time spent up to now is 16.4 secs Computing kpt #: 8 total cpu time spent up to now is 18.3 secs Computing kpt #: 9 total cpu time spent up to now is 20.4 secs Computing kpt #: 10 total cpu time spent up to now is 22.4 secs Computing kpt #: 11 total cpu time spent up to now is 24.4 secs Computing kpt #: 12 total cpu time spent up to now is 26.5 secs Computing kpt #: 13 total cpu time spent up to now is 28.6 secs Computing kpt #: 14 total cpu time spent up to now is 31.7 secs Computing kpt #: 15 total cpu time spent up to now is 34.1 secs Computing kpt #: 16 total cpu time spent up to now is 36.6 secs Computing kpt #: 17 total cpu time spent up to now is 38.7 secs Computing kpt #: 18 total cpu time spent up to now is 40.7 secs Computing kpt #: 19 total cpu time spent up to now is 42.7 secs Computing kpt #: 20 total cpu time spent up to now is 44.7 secs Computing kpt #: 21 total cpu time spent up to now is 46.7 secs Computing kpt #: 22 total cpu time spent up to now is 48.6 secs Computing kpt #: 23 total cpu time spent up to now is 50.6 secs Computing kpt #: 24 total cpu time spent up to now is 52.5 secs Computing kpt #: 25 total cpu time spent up to now is 54.6 secs Computing kpt #: 26 total cpu time spent up to now is 56.6 secs Computing kpt #: 27 total cpu time spent up to now is 58.5 secs Computing kpt #: 28 total cpu time spent up to now is 60.6 secs Computing kpt #: 29 total cpu time spent up to now is 62.5 secs Computing kpt #: 30 total cpu time spent up to now is 64.6 secs Computing kpt #: 31 total cpu time spent up to now is 66.6 secs Computing kpt #: 32 total cpu time spent up to now is 68.7 secs Computing kpt #: 33 total cpu time spent up to now is 71.1 secs Computing kpt #: 34 total cpu time spent up to now is 73.6 secs Computing kpt #: 35 total cpu time spent up to now is 75.7 secs Computing kpt #: 36 total cpu time spent up to now is 77.7 secs Computing kpt #: 37 total cpu time spent up to now is 79.8 secs Computing kpt #: 38 total cpu time spent up to now is 82.3 secs Computing kpt #: 39 total cpu time spent up to now is 84.3 secs Computing kpt #: 40 total cpu time spent up to now is 86.8 secs Computing kpt #: 41 total cpu time spent up to now is 88.9 secs Computing kpt #: 42 total cpu time spent up to now is 91.8 secs Computing kpt #: 43 total cpu time spent up to now is 93.8 secs Computing kpt #: 44 total cpu time spent up to now is 95.9 secs Computing kpt #: 45 total cpu time spent up to now is 98.0 secs Computing kpt #: 46 total cpu time spent up to now is 100.0 secs Computing kpt #: 47 total cpu time spent up to now is 102.1 secs Computing kpt #: 48 total cpu time spent up to now is 104.1 secs Computing kpt #: 49 total cpu time spent up to now is 106.2 secs Computing kpt #: 50 total cpu time spent up to now is 108.2 secs Computing kpt #: 51 total cpu time spent up to now is 110.3 secs Computing kpt #: 52 total cpu time spent up to now is 112.3 secs Computing kpt #: 53 total cpu time spent up to now is 114.4 secs Computing kpt #: 54 total cpu time spent up to now is 116.4 secs Computing kpt #: 55 total cpu time spent up to now is 118.5 secs Computing kpt #: 56 total cpu time spent up to now is 120.6 secs Computing kpt #: 57 total cpu time spent up to now is 122.6 secs Computing kpt #: 58 total cpu time spent up to now is 124.6 secs Computing kpt #: 59 total cpu time spent up to now is 126.6 secs Computing kpt #: 60 total cpu time spent up to now is 128.7 secs Computing kpt #: 61 total cpu time spent up to now is 130.7 secs Computing kpt #: 62 total cpu time spent up to now is 133.2 secs Computing kpt #: 63 total cpu time spent up to now is 135.7 secs Computing kpt #: 64 total cpu time spent up to now is 137.7 secs Computing kpt #: 65 total cpu time spent up to now is 140.1 secs Computing kpt #: 66 total cpu time spent up to now is 142.6 secs Computing kpt #: 67 total cpu time spent up to now is 144.6 secs Computing kpt #: 68 total cpu time spent up to now is 146.6 secs Computing kpt #: 69 total cpu time spent up to now is 148.7 secs Computing kpt #: 70 total cpu time spent up to now is 151.1 secs Computing kpt #: 71 total cpu time spent up to now is 153.1 secs Computing kpt #: 72 total cpu time spent up to now is 155.2 secs Computing kpt #: 73 total cpu time spent up to now is 157.2 secs Computing kpt #: 74 total cpu time spent up to now is 159.2 secs Computing kpt #: 75 total cpu time spent up to now is 161.2 secs Computing kpt #: 76 total cpu time spent up to now is 163.2 secs Computing kpt #: 77 total cpu time spent up to now is 165.2 secs Computing kpt #: 78 total cpu time spent up to now is 167.3 secs Computing kpt #: 79 total cpu time spent up to now is 169.2 secs Computing kpt #: 80 total cpu time spent up to now is 171.2 secs Computing kpt #: 81 total cpu time spent up to now is 173.2 secs Computing kpt #: 82 total cpu time spent up to now is 175.2 secs Computing kpt #: 83 total cpu time spent up to now is 177.3 secs Computing kpt #: 84 total cpu time spent up to now is 179.3 secs Computing kpt #: 85 total cpu time spent up to now is 181.3 secs Computing kpt #: 86 total cpu time spent up to now is 183.3 secs Computing kpt #: 87 total cpu time spent up to now is 185.4 secs Computing kpt #: 88 total cpu time spent up to now is 187.4 secs Computing kpt #: 89 total cpu time spent up to now is 189.4 secs Computing kpt #: 90 total cpu time spent up to now is 191.5 secs Computing kpt #: 91 total cpu time spent up to now is 193.5 secs Computing kpt #: 92 total cpu time spent up to now is 195.5 secs Computing kpt #: 93 total cpu time spent up to now is 197.6 secs Computing kpt #: 94 total cpu time spent up to now is 200.0 secs Computing kpt #: 95 total cpu time spent up to now is 202.4 secs Computing kpt #: 96 total cpu time spent up to now is 204.5 secs Computing kpt #: 97 total cpu time spent up to now is 206.9 secs Computing kpt #: 98 total cpu time spent up to now is 208.9 secs Computing kpt #: 99 total cpu time spent up to now is 211.4 secs Computing kpt #: 100 total cpu time spent up to now is 213.4 secs Computing kpt #: 101 total cpu time spent up to now is 215.8 secs Computing kpt #: 102 total cpu time spent up to now is 217.8 secs Computing kpt #: 103 total cpu time spent up to now is 219.8 secs Computing kpt #: 104 total cpu time spent up to now is 221.8 secs Computing kpt #: 105 total cpu time spent up to now is 223.9 secs Computing kpt #: 106 total cpu time spent up to now is 225.9 secs Computing kpt #: 107 total cpu time spent up to now is 227.9 secs Computing kpt #: 108 total cpu time spent up to now is 230.4 secs Computing kpt #: 109 total cpu time spent up to now is 232.8 secs Computing kpt #: 110 total cpu time spent up to now is 235.0 secs Computing kpt #: 111 total cpu time spent up to now is 237.5 secs Computing kpt #: 112 total cpu time spent up to now is 239.5 secs Computing kpt #: 113 total cpu time spent up to now is 241.6 secs Computing kpt #: 114 total cpu time spent up to now is 243.6 secs Computing kpt #: 115 total cpu time spent up to now is 245.7 secs Computing kpt #: 116 total cpu time spent up to now is 247.7 secs Computing kpt #: 117 total cpu time spent up to now is 249.8 secs Computing kpt #: 118 total cpu time spent up to now is 251.9 secs Computing kpt #: 119 total cpu time spent up to now is 254.0 secs Computing kpt #: 120 total cpu time spent up to now is 256.6 secs Computing kpt #: 121 total cpu time spent up to now is 259.6 secs Computing kpt #: 122 total cpu time spent up to now is 261.7 secs Computing kpt #: 123 total cpu time spent up to now is 263.7 secs Computing kpt #: 124 total cpu time spent up to now is 265.8 secs Computing kpt #: 125 total cpu time spent up to now is 267.9 secs Computing kpt #: 126 total cpu time spent up to now is 269.9 secs Computing kpt #: 127 total cpu time spent up to now is 272.4 secs Computing kpt #: 128 total cpu time spent up to now is 274.7 secs Computing kpt #: 129 total cpu time spent up to now is 276.8 secs Computing kpt #: 130 total cpu time spent up to now is 279.8 secs Computing kpt #: 131 total cpu time spent up to now is 282.2 secs Computing kpt #: 132 total cpu time spent up to now is 285.1 secs Computing kpt #: 133 total cpu time spent up to now is 287.2 secs Computing kpt #: 134 total cpu time spent up to now is 289.2 secs Computing kpt #: 135 total cpu time spent up to now is 291.3 secs Computing kpt #: 136 total cpu time spent up to now is 293.3 secs Computing kpt #: 137 total cpu time spent up to now is 295.4 secs Computing kpt #: 138 total cpu time spent up to now is 297.4 secs Computing kpt #: 139 total cpu time spent up to now is 299.5 secs Computing kpt #: 140 total cpu time spent up to now is 301.5 secs Computing kpt #: 141 total cpu time spent up to now is 303.5 secs Computing kpt #: 142 total cpu time spent up to now is 305.6 secs Computing kpt #: 143 total cpu time spent up to now is 307.5 secs Computing kpt #: 144 total cpu time spent up to now is 309.5 secs Computing kpt #: 145 total cpu time spent up to now is 311.5 secs Computing kpt #: 146 total cpu time spent up to now is 313.4 secs Computing kpt #: 147 total cpu time spent up to now is 315.3 secs Computing kpt #: 148 total cpu time spent up to now is 317.2 secs Computing kpt #: 149 total cpu time spent up to now is 319.0 secs Computing kpt #: 150 total cpu time spent up to now is 320.9 secs Computing kpt #: 151 total cpu time spent up to now is 322.9 secs Computing kpt #: 152 total cpu time spent up to now is 324.7 secs Computing kpt #: 153 total cpu time spent up to now is 326.7 secs Computing kpt #: 154 total cpu time spent up to now is 328.5 secs Computing kpt #: 155 total cpu time spent up to now is 330.4 secs Computing kpt #: 156 total cpu time spent up to now is 332.4 secs Computing kpt #: 157 total cpu time spent up to now is 334.2 secs Computing kpt #: 158 total cpu time spent up to now is 336.1 secs Computing kpt #: 159 total cpu time spent up to now is 338.1 secs Computing kpt #: 160 total cpu time spent up to now is 340.0 secs Computing kpt #: 161 total cpu time spent up to now is 341.8 secs Computing kpt #: 162 total cpu time spent up to now is 343.7 secs Computing kpt #: 163 total cpu time spent up to now is 345.6 secs Computing kpt #: 164 total cpu time spent up to now is 347.4 secs Computing kpt #: 165 total cpu time spent up to now is 349.3 secs Computing kpt #: 166 total cpu time spent up to now is 351.4 secs Computing kpt #: 167 total cpu time spent up to now is 353.3 secs Computing kpt #: 168 total cpu time spent up to now is 355.2 secs Computing kpt #: 169 total cpu time spent up to now is 357.2 secs Computing kpt #: 170 total cpu time spent up to now is 359.1 secs Computing kpt #: 171 total cpu time spent up to now is 361.1 secs Computing kpt #: 172 total cpu time spent up to now is 363.1 secs Computing kpt #: 173 total cpu time spent up to now is 365.1 secs Computing kpt #: 174 total cpu time spent up to now is 367.2 secs Computing kpt #: 175 total cpu time spent up to now is 369.2 secs Computing kpt #: 176 total cpu time spent up to now is 371.3 secs Computing kpt #: 177 total cpu time spent up to now is 373.4 secs Computing kpt #: 178 total cpu time spent up to now is 375.8 secs Computing kpt #: 179 total cpu time spent up to now is 378.8 secs Computing kpt #: 180 total cpu time spent up to now is 381.3 secs Computing kpt #: 181 total cpu time spent up to now is 383.4 secs Computing kpt #: 182 total cpu time spent up to now is 385.5 secs Computing kpt #: 183 total cpu time spent up to now is 387.6 secs Computing kpt #: 184 total cpu time spent up to now is 389.7 secs Computing kpt #: 185 total cpu time spent up to now is 391.8 secs Computing kpt #: 186 total cpu time spent up to now is 394.0 secs Computing kpt #: 187 total cpu time spent up to now is 396.1 secs Computing kpt #: 188 total cpu time spent up to now is 398.1 secs Computing kpt #: 189 total cpu time spent up to now is 400.2 secs Computing kpt #: 190 total cpu time spent up to now is 402.2 secs Computing kpt #: 191 total cpu time spent up to now is 404.3 secs Computing kpt #: 192 total cpu time spent up to now is 406.4 secs Computing kpt #: 193 total cpu time spent up to now is 408.8 secs Computing kpt #: 194 total cpu time spent up to now is 410.9 secs Computing kpt #: 195 total cpu time spent up to now is 413.0 secs Computing kpt #: 196 total cpu time spent up to now is 415.6 secs Computing kpt #: 197 total cpu time spent up to now is 418.0 secs Computing kpt #: 198 total cpu time spent up to now is 420.1 secs Computing kpt #: 199 total cpu time spent up to now is 422.5 secs Computing kpt #: 200 total cpu time spent up to now is 425.6 secs Computing kpt #: 201 total cpu time spent up to now is 428.7 secs Computing kpt #: 202 total cpu time spent up to now is 431.2 secs Computing kpt #: 203 total cpu time spent up to now is 433.7 secs Computing kpt #: 204 total cpu time spent up to now is 436.2 secs Computing kpt #: 205 total cpu time spent up to now is 438.7 secs Computing kpt #: 206 total cpu time spent up to now is 441.2 secs Computing kpt #: 207 total cpu time spent up to now is 443.8 secs Computing kpt #: 208 total cpu time spent up to now is 446.3 secs Computing kpt #: 209 total cpu time spent up to now is 448.8 secs Computing kpt #: 210 total cpu time spent up to now is 450.8 secs Computing kpt #: 211 total cpu time spent up to now is 452.8 secs Computing kpt #: 212 total cpu time spent up to now is 454.8 secs Computing kpt #: 213 total cpu time spent up to now is 456.8 secs Computing kpt #: 214 total cpu time spent up to now is 458.9 secs Computing kpt #: 215 total cpu time spent up to now is 460.8 secs Computing kpt #: 216 total cpu time spent up to now is 462.9 secs Computing kpt #: 217 total cpu time spent up to now is 464.9 secs Computing kpt #: 218 total cpu time spent up to now is 466.9 secs Computing kpt #: 219 total cpu time spent up to now is 468.9 secs Computing kpt #: 220 total cpu time spent up to now is 470.9 secs Computing kpt #: 221 total cpu time spent up to now is 472.9 secs Computing kpt #: 222 total cpu time spent up to now is 474.9 secs Computing kpt #: 223 total cpu time spent up to now is 476.9 secs Computing kpt #: 224 total cpu time spent up to now is 478.9 secs Computing kpt #: 225 total cpu time spent up to now is 481.0 secs Computing kpt #: 226 total cpu time spent up to now is 483.0 secs Computing kpt #: 227 total cpu time spent up to now is 485.0 secs Computing kpt #: 228 total cpu time spent up to now is 487.1 secs Computing kpt #: 229 total cpu time spent up to now is 489.1 secs Computing kpt #: 230 total cpu time spent up to now is 491.5 secs Computing kpt #: 231 total cpu time spent up to now is 493.6 secs Computing kpt #: 232 total cpu time spent up to now is 496.1 secs Computing kpt #: 233 total cpu time spent up to now is 498.6 secs Computing kpt #: 234 total cpu time spent up to now is 501.0 secs Computing kpt #: 235 total cpu time spent up to now is 503.4 secs Computing kpt #: 236 total cpu time spent up to now is 505.9 secs Computing kpt #: 237 total cpu time spent up to now is 508.3 secs Computing kpt #: 238 total cpu time spent up to now is 510.7 secs Computing kpt #: 239 total cpu time spent up to now is 513.1 secs Computing kpt #: 240 total cpu time spent up to now is 515.6 secs Computing kpt #: 241 total cpu time spent up to now is 518.1 secs Computing kpt #: 242 total cpu time spent up to now is 520.6 secs Computing kpt #: 243 total cpu time spent up to now is 523.1 secs Computing kpt #: 244 total cpu time spent up to now is 525.5 secs Computing kpt #: 245 total cpu time spent up to now is 528.0 secs Computing kpt #: 246 total cpu time spent up to now is 530.5 secs Computing kpt #: 247 total cpu time spent up to now is 532.9 secs Computing kpt #: 248 total cpu time spent up to now is 534.9 secs Computing kpt #: 249 total cpu time spent up to now is 537.0 secs Computing kpt #: 250 total cpu time spent up to now is 539.4 secs Computing kpt #: 251 total cpu time spent up to now is 541.4 secs Computing kpt #: 252 total cpu time spent up to now is 543.4 secs Computing kpt #: 253 total cpu time spent up to now is 545.4 secs Computing kpt #: 254 total cpu time spent up to now is 547.5 secs Computing kpt #: 255 total cpu time spent up to now is 549.5 secs Computing kpt #: 256 total cpu time spent up to now is 551.5 secs Computing kpt #: 257 total cpu time spent up to now is 553.5 secs Computing kpt #: 258 total cpu time spent up to now is 555.5 secs Computing kpt #: 259 total cpu time spent up to now is 557.6 secs Computing kpt #: 260 total cpu time spent up to now is 559.6 secs Computing kpt #: 261 total cpu time spent up to now is 561.7 secs Computing kpt #: 262 total cpu time spent up to now is 563.7 secs Computing kpt #: 263 total cpu time spent up to now is 565.7 secs Computing kpt #: 264 total cpu time spent up to now is 567.8 secs Computing kpt #: 265 total cpu time spent up to now is 569.8 secs Computing kpt #: 266 total cpu time spent up to now is 572.4 secs Computing kpt #: 267 total cpu time spent up to now is 574.8 secs Computing kpt #: 268 total cpu time spent up to now is 576.9 secs Computing kpt #: 269 total cpu time spent up to now is 578.9 secs Computing kpt #: 270 total cpu time spent up to now is 581.0 secs Computing kpt #: 271 total cpu time spent up to now is 583.0 secs Computing kpt #: 272 total cpu time spent up to now is 585.1 secs Computing kpt #: 273 total cpu time spent up to now is 587.1 secs Computing kpt #: 274 total cpu time spent up to now is 589.2 secs Computing kpt #: 275 total cpu time spent up to now is 591.2 secs Computing kpt #: 276 total cpu time spent up to now is 593.3 secs Computing kpt #: 277 total cpu time spent up to now is 595.3 secs Computing kpt #: 278 total cpu time spent up to now is 597.3 secs Computing kpt #: 279 total cpu time spent up to now is 599.4 secs Computing kpt #: 280 total cpu time spent up to now is 601.4 secs Computing kpt #: 281 total cpu time spent up to now is 603.5 secs Computing kpt #: 282 total cpu time spent up to now is 605.5 secs Computing kpt #: 283 total cpu time spent up to now is 607.5 secs Computing kpt #: 284 total cpu time spent up to now is 609.6 secs Computing kpt #: 285 total cpu time spent up to now is 611.6 secs Computing kpt #: 286 total cpu time spent up to now is 613.7 secs Computing kpt #: 287 total cpu time spent up to now is 616.8 secs Computing kpt #: 288 total cpu time spent up to now is 618.9 secs Computing kpt #: 289 total cpu time spent up to now is 620.9 secs Computing kpt #: 290 total cpu time spent up to now is 623.0 secs Computing kpt #: 291 total cpu time spent up to now is 625.0 secs Computing kpt #: 292 total cpu time spent up to now is 627.0 secs Computing kpt #: 293 total cpu time spent up to now is 629.1 secs Computing kpt #: 294 total cpu time spent up to now is 631.1 secs Computing kpt #: 295 total cpu time spent up to now is 633.1 secs Computing kpt #: 296 total cpu time spent up to now is 635.2 secs Computing kpt #: 297 total cpu time spent up to now is 638.3 secs Computing kpt #: 298 total cpu time spent up to now is 641.4 secs Computing kpt #: 299 total cpu time spent up to now is 644.5 secs Computing kpt #: 300 total cpu time spent up to now is 647.4 secs Computing kpt #: 301 total cpu time spent up to now is 649.6 secs Computing kpt #: 302 total cpu time spent up to now is 651.6 secs Computing kpt #: 303 total cpu time spent up to now is 653.6 secs Computing kpt #: 304 total cpu time spent up to now is 655.7 secs Computing kpt #: 305 total cpu time spent up to now is 657.7 secs Computing kpt #: 306 total cpu time spent up to now is 659.7 secs Computing kpt #: 307 total cpu time spent up to now is 661.7 secs Computing kpt #: 308 total cpu time spent up to now is 663.7 secs Computing kpt #: 309 total cpu time spent up to now is 666.0 secs Computing kpt #: 310 total cpu time spent up to now is 668.0 secs Computing kpt #: 311 total cpu time spent up to now is 670.0 secs Computing kpt #: 312 total cpu time spent up to now is 672.0 secs Computing kpt #: 313 total cpu time spent up to now is 673.9 secs Computing kpt #: 314 total cpu time spent up to now is 675.9 secs Computing kpt #: 315 total cpu time spent up to now is 677.8 secs Computing kpt #: 316 total cpu time spent up to now is 679.9 secs Computing kpt #: 317 total cpu time spent up to now is 681.9 secs Computing kpt #: 318 total cpu time spent up to now is 684.0 secs Computing kpt #: 319 total cpu time spent up to now is 686.0 secs Computing kpt #: 320 total cpu time spent up to now is 688.1 secs Computing kpt #: 321 total cpu time spent up to now is 690.1 secs Computing kpt #: 322 total cpu time spent up to now is 692.1 secs Computing kpt #: 323 total cpu time spent up to now is 694.2 secs Computing kpt #: 324 total cpu time spent up to now is 696.2 secs Computing kpt #: 325 total cpu time spent up to now is 698.3 secs Computing kpt #: 326 total cpu time spent up to now is 700.3 secs ethr = 2.08E-08, avg # of iterations = 18.2 total cpu time spent up to now is 700.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -7.3114 -7.3114 -6.4540 -6.4540 -5.4508 -5.4508 -4.9913 -4.9913 1.1621 1.1621 3.3255 3.3255 3.7286 3.7286 3.7478 3.7478 4.1922 4.1922 4.5830 4.5830 4.5966 4.5966 5.4714 5.4714 5.4845 5.4845 6.2136 6.2136 6.3444 6.3444 6.3472 6.3472 6.5463 6.5463 6.5967 6.5967 6.6412 6.6412 6.8024 6.8024 6.8657 6.8657 6.9816 6.9816 6.9831 6.9831 7.3906 7.3906 7.7331 7.7331 8.2870 8.2870 8.3201 8.3201 9.2742 9.2742 9.2871 9.2871 k = 0.0094-0.0307-0.0180 ( 4243 PWs) bands (ev): -7.3105 -7.3105 -6.4533 -6.4533 -5.4501 -5.4501 -4.9908 -4.9908 1.1631 1.1631 3.3241 3.3241 3.7286 3.7286 3.7478 3.7478 4.1902 4.1902 4.5827 4.5827 4.5962 4.5962 5.4692 5.4692 5.4827 5.4827 6.2130 6.2130 6.3372 6.3372 6.3391 6.3391 6.5514 6.5514 6.6003 6.6003 6.6445 6.6445 6.8040 6.8040 6.8671 6.8671 6.9818 6.9818 6.9832 6.9832 7.3880 7.3880 7.7332 7.7332 8.2873 8.2873 8.3203 8.3203 9.2719 9.2719 9.2852 9.2852 k = 0.0189-0.0613-0.0360 ( 4246 PWs) bands (ev): -7.3076 -7.3076 -6.4511 -6.4511 -5.4479 -5.4479 -4.9894 -4.9894 1.1663 1.1663 3.3198 3.3198 3.7285 3.7285 3.7477 3.7477 4.1839 4.1839 4.5816 4.5816 4.5953 4.5953 5.4599 5.4599 5.4798 5.4798 6.2099 6.2099 6.3164 6.3164 6.3188 6.3188 6.5643 6.5643 6.6093 6.6093 6.6541 6.6541 6.8086 6.8086 6.8712 6.8712 6.9817 6.9817 6.9838 6.9838 7.3802 7.3802 7.7333 7.7333 8.2882 8.2882 8.3208 8.3208 9.2635 9.2635 9.2810 9.2810 k = 0.0283-0.0920-0.0539 ( 4244 PWs) bands (ev): -7.3029 -7.3029 -6.4475 -6.4475 -5.4444 -5.4444 -4.9871 -4.9871 1.1715 1.1715 3.3125 3.3125 3.7285 3.7285 3.7476 3.7476 4.1736 4.1736 4.5797 4.5797 4.5936 4.5936 5.4422 5.4422 5.4780 5.4780 6.1996 6.1996 6.2886 6.2886 6.2922 6.2922 6.5802 6.5802 6.6209 6.6209 6.6691 6.6691 6.8163 6.8163 6.8784 6.8784 6.9811 6.9811 6.9856 6.9856 7.3675 7.3675 7.7334 7.7334 8.2896 8.2896 8.3218 8.3218 9.2471 9.2471 9.2767 9.2767 k = 0.0377-0.1227-0.0719 ( 4243 PWs) bands (ev): -7.2962 -7.2962 -6.4425 -6.4425 -5.4394 -5.4394 -4.9839 -4.9839 1.1788 1.1788 3.3024 3.3024 3.7285 3.7285 3.7475 3.7475 4.1591 4.1591 4.5772 4.5772 4.5914 4.5914 5.4173 5.4173 5.4766 5.4766 6.1731 6.1731 6.2554 6.2554 6.2733 6.2733 6.5943 6.5943 6.6329 6.6329 6.6889 6.6889 6.8269 6.8269 6.8887 6.8887 6.9801 6.9801 6.9889 6.9889 7.3505 7.3505 7.7336 7.7336 8.2913 8.2913 8.3233 8.3233 9.2235 9.2235 9.2720 9.2720 k = 0.0472-0.1534-0.0899 ( 4232 PWs) bands (ev): -7.2877 -7.2877 -6.4360 -6.4360 -5.4330 -5.4330 -4.9798 -4.9798 1.1882 1.1882 3.2892 3.2892 3.7285 3.7285 3.7474 3.7474 4.1404 4.1404 4.5740 4.5740 4.5885 4.5885 5.3869 5.3869 5.4752 5.4752 6.1278 6.1278 6.2181 6.2181 6.2674 6.2674 6.6022 6.6022 6.6442 6.6442 6.7137 6.7137 6.8401 6.8401 6.9017 6.9017 6.9787 6.9787 6.9945 6.9945 7.3300 7.3300 7.7338 7.7338 8.2932 8.2932 8.3256 8.3256 9.1935 9.1935 9.2666 9.2666 k = 0.0566-0.1840-0.1079 ( 4226 PWs) bands (ev): -7.2773 -7.2773 -6.4281 -6.4281 -5.4253 -5.4253 -4.9747 -4.9747 1.1997 1.1997 3.2731 3.2731 3.7286 3.7286 3.7473 3.7473 4.1176 4.1176 4.5700 4.5700 4.5850 4.5850 5.3519 5.3519 5.4735 5.4735 6.0703 6.0703 6.1787 6.1787 6.2687 6.2687 6.6022 6.6022 6.6537 6.6537 6.7431 6.7431 6.8556 6.8556 6.9158 6.9158 6.9770 6.9770 7.0036 7.0036 7.3068 7.3068 7.7340 7.7340 8.2949 8.2949 8.3287 8.3287 9.1581 9.1581 9.2603 9.2603 k = 0.0660-0.2147-0.1258 ( 4226 PWs) bands (ev): -7.2650 -7.2650 -6.4188 -6.4188 -5.4161 -5.4161 -4.9688 -4.9688 1.2131 1.2131 3.2539 3.2539 3.7285 3.7285 3.7471 3.7471 4.0907 4.0907 4.5652 4.5652 4.5807 4.5807 5.3134 5.3134 5.4716 5.4716 6.0056 6.0056 6.1383 6.1383 6.2730 6.2730 6.5944 6.5944 6.6609 6.6609 6.7749 6.7749 6.8737 6.8737 6.9284 6.9284 6.9750 6.9750 7.0181 7.0181 7.2822 7.2822 7.7342 7.7342 8.2963 8.2963 8.3330 8.3330 9.1179 9.1179 9.2530 9.2530 k = 0.0755-0.2454-0.1438 ( 4229 PWs) bands (ev): -7.2509 -7.2509 -6.4082 -6.4082 -5.4057 -5.4057 -4.9620 -4.9620 1.2285 1.2285 3.2317 3.2317 3.7284 3.7284 3.7468 3.7468 4.0598 4.0598 4.5594 4.5594 4.5756 4.5756 5.2723 5.2723 5.4693 5.4693 5.9362 5.9362 6.0974 6.0974 6.2783 6.2783 6.5796 6.5796 6.6661 6.6661 6.8057 6.8057 6.8956 6.8956 6.9376 6.9376 6.9731 6.9731 7.0385 7.0385 7.2576 7.2576 7.7344 7.7344 8.2970 8.2970 8.3384 8.3384 9.0738 9.0738 9.2449 9.2449 k = 0.0849-0.2761-0.1618 ( 4216 PWs) bands (ev): -7.2350 -7.2350 -6.3962 -6.3962 -5.3938 -5.3938 -4.9544 -4.9544 1.2459 1.2459 3.2064 3.2064 3.7283 3.7283 3.7465 3.7465 4.0249 4.0249 4.5526 4.5526 4.5696 4.5696 5.2295 5.2295 5.4667 5.4667 5.8639 5.8639 6.0567 6.0567 6.2833 6.2833 6.5582 6.5582 6.6699 6.6699 6.8323 6.8323 6.9216 6.9216 6.9437 6.9437 6.9718 6.9718 7.0640 7.0640 7.2347 7.2347 7.7346 7.7346 8.2971 8.2971 8.3451 8.3451 9.0266 9.0266 9.2360 9.2360 k = 0.0943-0.3067-0.1798 ( 4220 PWs) bands (ev): -7.2173 -7.2173 -6.3829 -6.3829 -5.3807 -5.3807 -4.9459 -4.9459 1.2652 1.2652 3.1782 3.1782 3.7278 3.7278 3.7459 3.7459 3.9861 3.9861 4.5444 4.5444 4.5627 4.5627 5.1854 5.1854 5.4637 5.4637 5.7899 5.7899 6.0164 6.0164 6.2869 6.2869 6.5309 6.5309 6.6726 6.6726 6.8529 6.8529 6.9403 6.9403 6.9558 6.9558 6.9741 6.9741 7.0923 7.0923 7.2156 7.2156 7.7348 7.7348 8.2963 8.2963 8.3528 8.3528 8.9773 8.9773 9.2263 9.2263 k = 0.1038-0.3374-0.1977 ( 4222 PWs) bands (ev): -7.1978 -7.1978 -6.3684 -6.3684 -5.3663 -5.3663 -4.9365 -4.9365 1.2863 1.2863 3.1469 3.1469 3.7270 3.7270 3.7450 3.7450 3.9436 3.9436 4.5346 4.5346 4.5548 4.5548 5.1409 5.1409 5.4603 5.4603 5.7155 5.7155 5.9769 5.9769 6.2878 6.2878 6.4987 6.4987 6.6749 6.6749 6.8677 6.8677 6.9418 6.9418 6.9664 6.9664 6.9956 6.9956 7.1219 7.1219 7.2028 7.2028 7.7349 7.7349 8.2947 8.2947 8.3616 8.3616 8.9266 8.9266 9.2159 9.2159 k = 0.1132-0.3681-0.2157 ( 4224 PWs) bands (ev): -7.1765 -7.1765 -6.3526 -6.3526 -5.3507 -5.3507 -4.9264 -4.9264 1.3092 1.3092 3.1128 3.1128 3.7255 3.7255 3.7435 3.7435 3.8980 3.8980 4.5228 4.5228 4.5459 4.5459 5.0963 5.0963 5.4564 5.4564 5.6419 5.6419 5.9383 5.9383 6.2837 6.2837 6.4635 6.4635 6.6769 6.6769 6.8769 6.8769 6.9411 6.9411 6.9688 6.9688 7.0250 7.0250 7.1517 7.1517 7.1997 7.1997 7.7350 7.7350 8.2923 8.2923 8.3712 8.3712 8.8756 8.8756 9.2044 9.2044 k = 0.1226-0.3988-0.2337 ( 4229 PWs) bands (ev): -7.1536 -7.1536 -6.3355 -6.3355 -5.3338 -5.3338 -4.9155 -4.9155 1.3338 1.3338 3.0759 3.0759 3.7222 3.7222 3.7412 3.7412 3.8503 3.8503 4.5083 4.5083 4.5360 4.5360 5.0521 5.0521 5.4520 5.4520 5.5702 5.5702 5.9008 5.9008 6.2713 6.2713 6.4287 6.4287 6.6790 6.6790 6.8801 6.8801 6.9413 6.9413 6.9709 6.9709 7.0488 7.0488 7.1813 7.1813 7.2090 7.2090 7.7351 7.7351 8.2889 8.2889 8.3813 8.3813 8.8252 8.8252 9.1720 9.1720 k = 0.1321-0.4294-0.2517 ( 4230 PWs) bands (ev): -7.1289 -7.1289 -6.3174 -6.3174 -5.3158 -5.3158 -4.9038 -4.9038 1.3601 1.3601 3.0362 3.0362 3.7137 3.7137 3.7378 3.7378 3.8042 3.8042 4.4908 4.4908 4.5254 4.5254 5.0088 5.0088 5.4470 5.4470 5.5019 5.5019 5.8647 5.8647 6.2462 6.2462 6.3990 6.3990 6.6815 6.6815 6.8775 6.8775 6.9434 6.9434 6.9729 6.9729 7.0653 7.0653 7.2109 7.2109 7.2298 7.2298 7.7350 7.7350 8.2846 8.2846 8.3915 8.3915 8.7766 8.7766 9.1087 9.1087 k = 0.1415-0.4601-0.2697 ( 4230 PWs) bands (ev): -7.1027 -7.1027 -6.2981 -6.2981 -5.2967 -5.2967 -4.8914 -4.8914 1.3880 1.3880 2.9938 2.9938 3.6891 3.6891 3.7339 3.7339 3.7697 3.7697 4.4696 4.4696 4.5140 4.5140 4.9665 4.9665 5.4337 5.4337 5.4455 5.4455 5.8300 5.8300 6.2061 6.2061 6.3773 6.3773 6.6844 6.6844 6.8705 6.8705 6.9466 6.9466 6.9747 6.9747 7.0773 7.0773 7.2397 7.2397 7.2590 7.2590 7.7349 7.7349 8.2792 8.2792 8.4012 8.4012 8.7310 8.7310 9.0456 9.0456 k = 0.1509-0.4908-0.2876 ( 4237 PWs) bands (ev): -7.0748 -7.0748 -6.2777 -6.2777 -5.2764 -5.2764 -4.8782 -4.8782 1.4173 1.4173 2.9489 2.9489 3.6414 3.6414 3.7303 3.7303 3.7527 3.7527 4.4446 4.4446 4.5017 4.5017 4.9256 4.9256 5.3769 5.3769 5.4371 5.4371 5.7969 5.7969 6.1535 6.1535 6.3615 6.3615 6.6878 6.6878 6.8607 6.8607 6.9502 6.9502 6.9757 6.9757 7.0884 7.0884 7.2657 7.2657 7.2933 7.2933 7.7347 7.7347 8.2728 8.2728 8.4096 8.4096 8.6896 8.6896 8.9841 8.9841 k = 0.1604-0.5215-0.3056 ( 4241 PWs) bands (ev): -7.0453 -7.0453 -6.2564 -6.2564 -5.2551 -5.2551 -4.8644 -4.8644 1.4479 1.4479 2.9015 2.9015 3.5803 3.5803 3.7266 3.7266 3.7440 3.7440 4.4155 4.4155 4.4888 4.4888 4.8862 4.8862 5.3233 5.3233 5.4307 5.4307 5.7654 5.7654 6.0925 6.0925 6.3483 6.3483 6.6921 6.6921 6.8494 6.8494 6.9538 6.9538 6.9760 6.9760 7.1004 7.1004 7.2891 7.2891 7.3291 7.3291 7.7344 7.7344 8.2654 8.2654 8.4155 8.4155 8.6543 8.6543 8.9252 8.9252 k = 0.1698-0.5521-0.3236 ( 4247 PWs) bands (ev): -7.0144 -7.0144 -6.2341 -6.2341 -5.2329 -5.2329 -4.8500 -4.8500 1.4798 1.4798 2.8518 2.8518 3.5124 3.5124 3.7219 3.7219 3.7379 3.7379 4.3825 4.3825 4.4750 4.4750 4.8486 4.8486 5.2756 5.2756 5.4240 5.4240 5.7356 5.7356 6.0262 6.0262 6.3355 6.3355 6.6970 6.6970 6.8373 6.8373 6.9572 6.9572 6.9755 6.9755 7.1138 7.1138 7.3101 7.3101 7.3639 7.3639 7.7341 7.7341 8.2567 8.2567 8.4173 8.4173 8.6265 8.6265 8.8701 8.8701 k = 0.1792-0.5828-0.3416 ( 4251 PWs) bands (ev): -6.9820 -6.9820 -6.2109 -6.2109 -5.2096 -5.2096 -4.8350 -4.8350 1.5127 1.5127 2.7998 2.7998 3.4399 3.4399 3.7151 3.7151 3.7332 3.7332 4.3459 4.3459 4.4604 4.4604 4.8129 4.8129 5.2340 5.2340 5.4169 5.4169 5.7075 5.7075 5.9567 5.9567 6.3216 6.3216 6.7028 6.7028 6.8248 6.8248 6.9605 6.9605 6.9747 6.9747 7.1282 7.1282 7.3286 7.3286 7.3962 7.3962 7.7336 7.7336 8.2470 8.2470 8.4140 8.4140 8.6065 8.6065 8.8206 8.8206 k = 0.1887-0.6135-0.3595 ( 4249 PWs) bands (ev): -6.9481 -6.9481 -6.1870 -6.1870 -5.1856 -5.1856 -4.8194 -4.8194 1.5465 1.5465 2.7456 2.7456 3.3638 3.3638 3.7057 3.7057 3.7294 3.7294 4.3061 4.3061 4.4452 4.4452 4.7791 4.7791 5.1982 5.1982 5.4095 5.4095 5.6812 5.6812 5.8856 5.8856 6.3061 6.3061 6.7093 6.7093 6.8122 6.8122 6.9635 6.9635 6.9740 6.9740 7.1431 7.1431 7.3447 7.3447 7.4251 7.4251 7.7331 7.7331 8.2361 8.2361 8.4061 8.4061 8.5922 8.5922 8.7793 8.7793 k = 0.1981-0.6442-0.3775 ( 4255 PWs) bands (ev): -6.9130 -6.9130 -6.1623 -6.1623 -5.1607 -5.1607 -4.8033 -4.8033 1.5808 1.5808 2.6892 2.6892 3.2849 3.2849 3.6938 3.6938 3.7262 3.7262 4.2638 4.2638 4.4292 4.4292 4.7473 4.7473 5.1677 5.1677 5.4016 5.4016 5.6567 5.6567 5.8140 5.8140 6.2887 6.2887 6.7165 6.7165 6.7999 6.7999 6.9657 6.9657 6.9744 6.9744 7.1579 7.1579 7.3582 7.3582 7.4498 7.4498 7.7325 7.7325 8.2240 8.2240 8.3953 8.3953 8.5789 8.5789 8.7501 8.7501 k = 0.2075-0.6748-0.3955 ( 4254 PWs) bands (ev): -6.8766 -6.8766 -6.1370 -6.1370 -5.1350 -5.1350 -4.7867 -4.7867 1.6156 1.6156 2.6308 2.6308 3.2038 3.2038 3.6794 3.6794 3.7231 3.7231 4.2198 4.2198 4.4125 4.4125 4.7174 4.7174 5.1417 5.1417 5.3934 5.3934 5.6338 5.6338 5.7430 5.7430 6.2693 6.2693 6.7239 6.7239 6.7883 6.7883 6.9661 6.9661 6.9771 6.9771 7.1720 7.1720 7.3692 7.3692 7.4699 7.4699 7.7316 7.7316 8.2109 8.2109 8.3838 8.3838 8.5618 8.5618 8.7364 8.7364 k = 0.2170-0.7055-0.4135 ( 4259 PWs) bands (ev): -6.8389 -6.8389 -6.1111 -6.1111 -5.1087 -5.1087 -4.7697 -4.7697 1.6504 1.6504 2.5704 2.5704 3.1214 3.1214 3.6627 3.6627 3.7200 3.7200 4.1745 4.1745 4.3954 4.3954 4.6894 4.6894 5.1194 5.1194 5.3849 5.3849 5.6126 5.6126 5.6736 5.6736 6.2480 6.2480 6.7306 6.7306 6.7783 6.7783 6.9655 6.9655 6.9814 6.9814 7.1851 7.1851 7.3775 7.3775 7.4852 7.4852 7.7304 7.7304 8.1967 8.1967 8.3728 8.3728 8.5407 8.5407 8.7373 8.7373 k = 0.2264-0.7362-0.4314 ( 4257 PWs) bands (ev): -6.8002 -6.8002 -6.0848 -6.0848 -5.0818 -5.0818 -4.7523 -4.7523 1.6848 1.6848 2.5081 2.5081 3.0385 3.0385 3.6438 3.6438 3.7167 3.7167 4.1288 4.1288 4.3777 4.3777 4.6630 4.6630 5.0997 5.0997 5.3762 5.3762 5.5926 5.5926 5.6071 5.6071 6.2250 6.2250 6.7338 6.7338 6.7728 6.7728 6.9647 6.9647 6.9868 6.9868 7.1968 7.1968 7.3834 7.3834 7.4958 7.4958 7.7286 7.7286 8.1815 8.1815 8.3623 8.3623 8.5200 8.5200 8.7490 8.7490 k = 0.2358-0.7669-0.4494 ( 4258 PWs) bands (ev): -6.7604 -6.7604 -6.0581 -6.0581 -5.0544 -5.0544 -4.7345 -4.7345 1.7183 1.7183 2.4439 2.4439 2.9561 2.9561 3.6228 3.6228 3.7133 3.7133 4.0830 4.0830 4.3597 4.3597 4.6378 4.6378 5.0819 5.0819 5.3672 5.3672 5.5424 5.5424 5.5757 5.5757 6.2006 6.2006 6.7302 6.7302 6.7750 6.7750 6.9639 6.9639 6.9930 6.9930 7.2068 7.2068 7.3869 7.3869 7.5021 7.5021 7.7260 7.7260 8.1652 8.1652 8.3514 8.3514 8.5043 8.5043 8.7674 8.7674 k = 0.2453-0.7975-0.4674 ( 4255 PWs) bands (ev): -6.7196 -6.7196 -6.0312 -6.0312 -5.0265 -5.0265 -4.7165 -4.7165 1.7502 1.7502 2.3779 2.3779 2.8752 2.8752 3.5998 3.5998 3.7096 3.7096 4.0377 4.0377 4.3414 4.3414 4.6136 4.6136 5.0650 5.0650 5.3580 5.3580 5.4832 5.4832 5.5592 5.5592 6.1749 6.1749 6.7213 6.7213 6.7834 6.7834 6.9632 6.9632 6.9999 6.9999 7.2150 7.2150 7.3881 7.3881 7.5045 7.5045 7.7225 7.7225 8.1480 8.1480 8.3388 8.3388 8.4969 8.4969 8.7901 8.7901 k = 0.2547-0.8282-0.4854 ( 4250 PWs) bands (ev): -6.6779 -6.6779 -6.0041 -6.0041 -4.9982 -4.9982 -4.6982 -4.6982 1.7795 1.7795 2.3104 2.3104 2.7970 2.7970 3.5751 3.5751 3.7056 3.7056 3.9932 3.9932 4.3229 4.3229 4.5897 4.5897 5.0483 5.0483 5.3484 5.3484 5.4293 5.4293 5.5441 5.5441 6.1484 6.1484 6.7101 6.7101 6.7950 6.7950 6.9626 6.9626 7.0077 7.0077 7.2214 7.2214 7.3872 7.3872 7.5037 7.5037 7.7179 7.7179 8.1299 8.1299 8.3243 8.3243 8.4989 8.4989 8.8154 8.8154 k = 0.2642-0.8589-0.5033 ( 4254 PWs) bands (ev): -6.6355 -6.6355 -5.9770 -5.9770 -4.9697 -4.9697 -4.6798 -4.6798 1.8048 1.8048 2.2419 2.2419 2.7230 2.7230 3.5488 3.5488 3.7014 3.7014 3.9499 3.9499 4.3043 4.3043 4.5655 4.5655 5.0310 5.0310 5.3376 5.3376 5.3823 5.3823 5.5305 5.5305 6.1214 6.1214 6.6980 6.6980 6.8083 6.8083 6.9621 6.9621 7.0162 7.0162 7.2259 7.2259 7.3842 7.3842 7.5002 7.5002 7.7121 7.7121 8.1108 8.1108 8.3089 8.3089 8.5095 8.5095 8.8423 8.8423 k = 0.2736-0.8896-0.5213 ( 4254 PWs) bands (ev): -6.5924 -6.5924 -5.9499 -5.9499 -4.9410 -4.9410 -4.6613 -4.6613 1.8240 1.8240 2.1733 2.1733 2.6547 2.6547 3.5213 3.5213 3.6970 3.6970 3.9079 3.9079 4.2857 4.2857 4.5406 4.5406 5.0129 5.0129 5.3221 5.3221 5.3467 5.3467 5.5181 5.5181 6.0943 6.0943 6.6854 6.6854 6.8227 6.8227 6.9618 6.9618 7.0255 7.0255 7.2286 7.2286 7.3795 7.3795 7.4946 7.4946 7.7051 7.7051 8.0909 8.0909 8.2939 8.2939 8.5270 8.5270 8.8702 8.8702 k = 0.2830-0.9202-0.5393 ( 4258 PWs) bands (ev): -6.5488 -6.5488 -5.9231 -5.9231 -4.9122 -4.9122 -4.6427 -4.6427 1.8341 1.8341 2.1065 2.1065 2.5938 2.5938 3.4929 3.4929 3.6922 3.6922 3.8676 3.8676 4.2673 4.2673 4.5144 4.5144 4.9937 4.9937 5.2956 5.2956 5.3288 5.3288 5.5068 5.5068 6.0674 6.0674 6.6728 6.6728 6.8379 6.8379 6.9615 6.9615 7.0355 7.0355 7.2299 7.2299 7.3732 7.3732 7.4873 7.4873 7.6970 7.6970 8.0703 8.0703 8.2803 8.2803 8.5499 8.5499 8.8981 8.8981 k = 0.2925-0.9509-0.5573 ( 4255 PWs) bands (ev): -6.5047 -6.5047 -5.8967 -5.8967 -4.8834 -4.8834 -4.6241 -4.6241 1.8300 1.8300 2.0449 2.0449 2.5422 2.5422 3.4638 3.4638 3.6873 3.6873 3.8292 3.8292 4.2491 4.2491 4.4865 4.4865 4.9736 4.9736 5.2686 5.2686 5.3181 5.3181 5.4967 5.4967 6.0410 6.0410 6.6602 6.6602 6.8538 6.8538 6.9613 6.9613 7.0463 7.0463 7.2298 7.2298 7.3655 7.3655 7.4788 7.4788 7.6878 7.6878 8.0490 8.0490 8.2687 8.2687 8.5768 8.5768 8.9249 8.9249 k = 0.3019-0.9816-0.5753 ( 4255 PWs) bands (ev): -6.4602 -6.4602 -5.8707 -5.8707 -4.8547 -4.8547 -4.6057 -4.6057 1.8059 1.8059 1.9931 1.9931 2.5015 2.5015 3.4342 3.4342 3.6821 3.6821 3.7929 3.7929 4.2312 4.2312 4.4567 4.4567 4.9533 4.9533 5.2460 5.2460 5.3089 5.3089 5.4875 5.4875 6.0156 6.0156 6.6478 6.6478 6.8701 6.8701 6.9611 6.9611 7.0578 7.0578 7.2286 7.2286 7.3566 7.3566 7.4695 7.4695 7.6776 7.6776 8.0271 8.0271 8.2593 8.2593 8.6068 8.6068 8.9432 8.9432 k = 0.3113-1.0123-0.5932 ( 4254 PWs) bands (ev): -6.4156 -6.4156 -5.8453 -5.8453 -4.8262 -4.8262 -4.5874 -4.5874 1.7601 1.7601 1.9521 1.9521 2.4727 2.4727 3.4045 3.4045 3.6768 3.6768 3.7589 3.7589 4.2138 4.2138 4.4249 4.4249 4.9332 4.9332 5.2280 5.2280 5.3003 5.3003 5.4793 5.4793 5.9914 5.9914 6.6356 6.6356 6.8867 6.8867 6.9611 6.9611 7.0698 7.0698 7.2265 7.2265 7.3468 7.3468 7.4597 7.4597 7.6665 7.6665 8.0046 8.0046 8.2522 8.2522 8.6390 8.6390 8.9383 8.9384 k = 0.3208-1.0429-0.6112 ( 4255 PWs) bands (ev): -6.3709 -6.3709 -5.8207 -5.8207 -4.7981 -4.7981 -4.5693 -4.5693 1.6986 1.6986 1.9164 1.9164 2.4557 2.4557 3.3749 3.3749 3.6713 3.6713 3.7274 3.7274 4.1969 4.1969 4.3914 4.3914 4.9140 4.9140 5.2138 5.2138 5.2921 5.2921 5.4719 5.4719 5.9686 5.9686 6.6238 6.6238 6.9031 6.9031 6.9614 6.9614 7.0824 7.0824 7.2238 7.2238 7.3363 7.3363 7.4496 7.4496 7.6545 7.6545 7.9817 7.9817 8.2472 8.2472 8.6729 8.6729 8.9268 8.9268 k = 0.3302-1.0736-0.6292 ( 4258 PWs) bands (ev): -6.3263 -6.3263 -5.7970 -5.7970 -4.7704 -4.7704 -4.5516 -4.5516 1.6289 1.6289 1.8802 1.8802 2.4491 2.4491 3.3456 3.3456 3.6656 3.6656 3.6988 3.6988 4.1805 4.1805 4.3565 4.3565 4.8959 4.8959 5.2027 5.2027 5.2842 5.2842 5.4653 5.4653 5.9475 5.9475 6.6123 6.6123 6.9184 6.9184 6.9629 6.9629 7.0954 7.0954 7.2206 7.2206 7.3253 7.3253 7.4395 7.4395 7.6418 7.6418 7.9583 7.9583 8.2441 8.2441 8.7078 8.7078 8.9144 8.9144 k = 0.3396-1.1043-0.6472 ( 4262 PWs) bands (ev): -6.2819 -6.2819 -5.7744 -5.7744 -4.7432 -4.7432 -4.5342 -4.5342 1.5557 1.5557 1.8414 1.8414 2.4505 2.4505 3.3168 3.3168 3.6597 3.6597 3.6733 3.6733 4.1647 4.1647 4.3205 4.3205 4.8791 4.8791 5.1939 5.1939 5.2767 5.2767 5.4595 5.4595 5.9282 5.9282 6.6012 6.6012 6.9306 6.9306 6.9674 6.9674 7.1086 7.1086 7.2173 7.2173 7.3141 7.3141 7.4297 7.4297 7.6284 7.6284 7.9348 7.9348 8.2427 8.2427 8.7432 8.7432 8.9017 8.9017 k = 0.3491-1.1350-0.6651 ( 4265 PWs) bands (ev): -6.2379 -6.2379 -5.7529 -5.7529 -4.7167 -4.7167 -4.5174 -4.5174 1.4816 1.4816 1.8000 1.8000 2.4575 2.4575 3.2887 3.2887 3.6498 3.6498 3.6551 3.6551 4.1497 4.1497 4.2839 4.2839 4.8636 4.8636 5.1869 5.1869 5.2696 5.2696 5.4543 5.4543 5.9108 5.9108 6.5907 6.5907 6.9373 6.9373 6.9773 6.9773 7.1219 7.1219 7.2138 7.2138 7.3028 7.3028 7.4202 7.4202 7.6144 7.6144 7.9110 7.9110 8.2428 8.2428 8.7788 8.7788 8.8891 8.8891 k = 0.3585-1.1656-0.6831 ( 4268 PWs) bands (ev): -6.1945 -6.1945 -5.7328 -5.7328 -4.6909 -4.6909 -4.5010 -4.5010 1.4082 1.4082 1.7571 1.7571 2.4678 2.4678 3.2614 3.2614 3.6314 3.6314 3.6488 3.6488 4.1353 4.1353 4.2473 4.2473 4.8494 4.8494 5.1812 5.1812 5.2628 5.2628 5.4497 5.4497 5.8954 5.8954 6.5808 6.5808 6.9391 6.9391 6.9919 6.9919 7.1350 7.1350 7.2106 7.2106 7.2918 7.2918 7.4113 7.4113 7.6001 7.6001 7.8870 7.8870 8.2442 8.2442 8.8142 8.8142 8.8765 8.8765 k = 0.3679-1.1963-0.7011 ( 4264 PWs) bands (ev): -6.1517 -6.1517 -5.7142 -5.7142 -4.6661 -4.6661 -4.4853 -4.4853 1.3366 1.3366 1.7137 1.7137 2.4798 2.4798 3.2352 3.2352 3.6160 3.6160 3.6430 3.6430 4.1217 4.1217 4.2110 4.2110 4.8364 4.8364 5.1766 5.1766 5.2564 5.2564 5.4458 5.4458 5.8819 5.8819 6.5715 6.5715 6.9383 6.9383 7.0089 7.0089 7.1475 7.1475 7.2078 7.2078 7.2811 7.2811 7.4030 7.4030 7.5853 7.5853 7.8631 7.8631 8.2467 8.2467 8.8485 8.8486 8.8645 8.8645 k = 0.3774-1.2270-0.7191 ( 4267 PWs) bands (ev): -6.1098 -6.1098 -5.6973 -5.6973 -4.6422 -4.6422 -4.4703 -4.4703 1.2675 1.2675 1.6706 1.6706 2.4921 2.4921 3.2101 3.2101 3.6042 3.6042 3.6374 3.6374 4.1088 4.1088 4.1754 4.1754 4.8245 4.8245 5.1727 5.1727 5.2503 5.2503 5.4423 5.4423 5.8705 5.8705 6.5628 6.5628 6.9360 6.9360 7.0269 7.0269 7.1584 7.1584 7.2061 7.2061 7.2712 7.2712 7.3955 7.3955 7.5703 7.5703 7.8392 7.8392 8.2499 8.2499 8.8513 8.8513 8.8835 8.8835 k = 0.3868-1.2577-0.7370 ( 4266 PWs) bands (ev): -6.0690 -6.0690 -5.6820 -5.6820 -4.6194 -4.6194 -4.4561 -4.4561 1.2015 1.2015 1.6288 1.6288 2.5038 2.5038 3.1863 3.1863 3.5959 3.5959 3.6320 3.6320 4.0965 4.0965 4.1410 4.1410 4.8137 4.8137 5.1694 5.1694 5.2446 5.2446 5.4393 5.4393 5.8608 5.8608 6.5548 6.5548 6.9330 6.9330 7.0453 7.0453 7.1667 7.1667 7.2066 7.2066 7.2621 7.2621 7.3887 7.3887 7.5552 7.5552 7.8156 7.8156 8.2538 8.2538 8.8395 8.8396 8.9161 8.9161 k = 0.3962-1.2883-0.7550 ( 4265 PWs) bands (ev): -6.0295 -6.0295 -5.6687 -5.6687 -4.5979 -4.5979 -4.4428 -4.4428 1.1392 1.1392 1.5886 1.5886 2.5144 2.5144 3.1639 3.1639 3.5911 3.5911 3.6268 3.6268 4.0840 4.0840 4.1088 4.1088 4.8040 4.8040 5.1665 5.1665 5.2394 5.2394 5.4368 5.4368 5.8528 5.8528 6.5474 6.5474 6.9294 6.9294 7.0637 7.0637 7.1709 7.1709 7.2103 7.2103 7.2542 7.2542 7.3827 7.3827 7.5404 7.5404 7.7923 7.7923 8.2582 8.2582 8.8281 8.8281 8.9473 8.9473 k = 0.4057-1.3190-0.7730 ( 4265 PWs) bands (ev): -5.9913 -5.9913 -5.6573 -5.6573 -4.5778 -4.5778 -4.4304 -4.4304 1.0809 1.0809 1.5506 1.5506 2.5235 2.5235 3.1430 3.1430 3.5895 3.5895 3.6218 3.6218 4.0664 4.0664 4.0839 4.0839 4.7952 4.7952 5.1639 5.1639 5.2345 5.2345 5.4346 5.4346 5.8463 5.8463 6.5406 6.5406 6.9254 6.9254 7.0819 7.0819 7.1713 7.1713 7.2163 7.2163 7.2483 7.2483 7.3776 7.3776 7.5259 7.5259 7.7695 7.7695 8.2628 8.2628 8.8172 8.8172 8.9768 8.9768 k = 0.4151-1.3497-0.7910 ( 4260 PWs) bands (ev): -5.9548 -5.9548 -5.6481 -5.6481 -4.5590 -4.5590 -4.4190 -4.4190 1.0270 1.0270 1.5153 1.5153 2.5310 2.5310 3.1238 3.1238 3.5909 3.5909 3.6172 3.6172 4.0394 4.0394 4.0709 4.0709 4.7874 4.7874 5.1617 5.1617 5.2301 5.2301 5.4328 5.4328 5.8412 5.8412 6.5346 6.5346 6.9212 6.9212 7.0994 7.0994 7.1697 7.1697 7.2218 7.2218 7.2454 7.2454 7.3732 7.3732 7.5120 7.5120 7.7474 7.7474 8.2676 8.2676 8.8069 8.8069 9.0044 9.0044 k = 0.4245-1.3804-0.8090 ( 4260 PWs) bands (ev): -5.9202 -5.9202 -5.6409 -5.6409 -4.5419 -4.5419 -4.4087 -4.4087 0.9779 0.9779 1.4828 1.4828 2.5370 2.5370 3.1063 3.1063 3.5948 3.5948 3.6131 3.6131 4.0111 4.0111 4.0618 4.0618 4.7805 4.7805 5.1597 5.1597 5.2261 5.2261 5.4312 5.4312 5.8372 5.8372 6.5292 6.5292 6.9170 6.9170 7.1156 7.1156 7.1677 7.1677 7.2235 7.2235 7.2474 7.2474 7.3696 7.3696 7.4989 7.4989 7.7262 7.7262 8.2723 8.2723 8.7973 8.7973 9.0297 9.0297 k = 0.4340-1.4110-0.8269 ( 4266 PWs) bands (ev): -5.8877 -5.8877 -5.6359 -5.6359 -4.5265 -4.5265 -4.3995 -4.3995 0.9339 0.9339 1.4536 1.4536 2.5415 2.5415 3.0906 3.0906 3.6005 3.6005 3.6096 3.6096 3.9841 3.9841 4.0542 4.0542 4.7746 4.7746 5.1580 5.1580 5.2226 5.2226 5.4300 5.4300 5.8342 5.8342 6.5244 6.5244 6.9128 6.9128 7.1290 7.1290 7.1672 7.1672 7.2220 7.2220 7.2529 7.2529 7.3667 7.3667 7.4869 7.4869 7.7061 7.7061 8.2768 8.2768 8.7885 8.7885 9.0526 9.0527 k = 0.4434-1.4417-0.8449 ( 4270 PWs) bands (ev): -5.8575 -5.8575 -5.6330 -5.6330 -4.5128 -4.5128 -4.3914 -4.3914 0.8952 0.8952 1.4277 1.4277 2.5448 2.5448 3.0769 3.0769 3.6038 3.6038 3.6106 3.6106 3.9589 3.9589 4.0478 4.0478 4.7696 4.7696 5.1565 5.1565 5.2194 5.2194 5.4290 5.4290 5.8320 5.8320 6.5203 6.5203 6.9088 6.9088 7.1373 7.1373 7.1710 7.1710 7.2197 7.2197 7.2592 7.2592 7.3645 7.3645 7.4760 7.4760 7.6875 7.6875 8.2810 8.2810 8.7807 8.7807 9.0730 9.0730 k = 0.4528-1.4724-0.8629 ( 4270 PWs) bands (ev): -5.8300 -5.8300 -5.6322 -5.6322 -4.5011 -4.5011 -4.3846 -4.3846 0.8621 0.8621 1.4055 1.4055 2.5471 2.5471 3.0651 3.0651 3.6018 3.6018 3.6185 3.6185 3.9361 3.9361 4.0425 4.0425 4.7654 4.7654 5.1553 5.1553 5.2168 5.2168 5.4281 5.4281 5.8305 5.8305 6.5169 6.5169 6.9051 6.9051 7.1396 7.1396 7.1796 7.1796 7.2175 7.2175 7.2649 7.2649 7.3630 7.3630 7.4665 7.4665 7.6706 7.6706 8.2848 8.2848 8.7738 8.7738 9.0906 9.0906 k = 0.4623-1.5031-0.8809 ( 4272 PWs) bands (ev): -5.8056 -5.8056 -5.6331 -5.6331 -4.4913 -4.4913 -4.3790 -4.3790 0.8348 0.8348 1.3872 1.3872 2.5486 2.5486 3.0553 3.0553 3.5995 3.5995 3.6273 3.6273 3.9159 3.9159 4.0381 4.0381 4.7621 4.7621 5.1543 5.1543 5.2147 5.2147 5.4275 5.4275 5.8294 5.8294 6.5141 6.5141 6.9019 6.9019 7.1388 7.1388 7.1900 7.1900 7.2157 7.2157 7.2696 7.2696 7.3620 7.3620 7.4587 7.4587 7.6559 7.6559 8.2881 8.2881 8.7681 8.7681 9.1052 9.1052 k = 0.4717-1.5337-0.8988 ( 4279 PWs) bands (ev): -5.7849 -5.7849 -5.6354 -5.6354 -4.4836 -4.4836 -4.3746 -4.3746 0.8133 0.8133 1.3727 1.3727 2.5495 2.5495 3.0477 3.0477 3.5976 3.5976 3.6358 3.6358 3.8991 3.8991 4.0347 4.0347 4.7595 4.7595 5.1535 5.1535 5.2130 5.2130 5.4270 5.4270 5.8287 5.8287 6.5119 6.5119 6.8992 6.8992 7.1372 7.1372 7.1996 7.1996 7.2145 7.2145 7.2729 7.2729 7.3615 7.3615 7.4524 7.4524 7.6439 7.6439 8.2907 8.2907 8.7636 8.7636 9.1168 9.1168 k = 0.4811-1.5644-0.9168 ( 4274 PWs) bands (ev): -5.7687 -5.7687 -5.6383 -5.6383 -4.4780 -4.4780 -4.3715 -4.3715 0.7979 0.7979 1.3623 1.3623 2.5500 2.5500 3.0422 3.0422 3.5962 3.5962 3.6429 3.6429 3.8862 3.8862 4.0322 4.0322 4.7578 4.7578 5.1529 5.1529 5.2118 5.2118 5.4267 5.4267 5.8282 5.8282 6.5104 6.5104 6.8973 6.8973 7.1357 7.1357 7.2068 7.2068 7.2142 7.2142 7.2751 7.2751 7.3613 7.3613 7.4479 7.4479 7.6348 7.6348 8.2926 8.2926 8.7603 8.7603 9.1252 9.1252 k = 0.4906-1.5951-0.9348 ( 4270 PWs) bands (ev): -5.7581 -5.7581 -5.6409 -5.6409 -4.4747 -4.4747 -4.3696 -4.3696 0.7887 0.7887 1.3561 1.3561 2.5502 2.5502 3.0389 3.0389 3.5954 3.5954 3.6476 3.6476 3.8780 3.8780 4.0308 4.0308 4.7567 4.7567 5.1526 5.1526 5.2111 5.2111 5.4265 5.4265 5.8280 5.8280 6.5094 6.5094 6.8961 6.8961 7.1347 7.1347 7.2099 7.2099 7.2155 7.2155 7.2763 7.2763 7.3612 7.3612 7.4452 7.4452 7.6293 7.6293 8.2938 8.2938 8.7583 8.7583 9.1303 9.1303 k = 0.5000-1.6258-0.9528 ( 4260 PWs) bands (ev): -5.7545 -5.7545 -5.6419 -5.6419 -4.4736 -4.4736 -4.3689 -4.3689 0.7856 0.7856 1.3540 1.3540 2.5503 2.5503 3.0378 3.0378 3.5951 3.5951 3.6493 3.6493 3.8753 3.8753 4.0303 4.0303 4.7564 4.7564 5.1525 5.1525 5.2108 5.2108 5.4265 5.4265 5.8280 5.8280 6.5092 6.5092 6.8957 6.8957 7.1344 7.1344 7.2105 7.2105 7.2166 7.2166 7.2767 7.2767 7.3613 7.3613 7.4443 7.4443 7.6274 7.6274 8.2943 8.2943 8.7577 8.7577 9.1320 9.1320 k = 0.5000-1.6258-0.9528 ( 4260 PWs) bands (ev): -5.7545 -5.7545 -5.6419 -5.6419 -4.4736 -4.4736 -4.3689 -4.3689 0.7856 0.7856 1.3540 1.3540 2.5503 2.5503 3.0378 3.0378 3.5951 3.5951 3.6493 3.6493 3.8753 3.8753 4.0303 4.0303 4.7564 4.7564 5.1525 5.1525 5.2108 5.2108 5.4265 5.4265 5.8280 5.8280 6.5092 6.5092 6.8957 6.8957 7.1344 7.1344 7.2105 7.2105 7.2166 7.2166 7.2767 7.2767 7.3613 7.3613 7.4443 7.4443 7.6274 7.6274 8.2943 8.2943 8.7577 8.7577 9.1320 9.1320 k = 0.5000-1.6075-0.9839 ( 4282 PWs) bands (ev): -5.7541 -5.7541 -5.6416 -5.6416 -4.4732 -4.4732 -4.3687 -4.3687 0.7865 0.7865 1.3549 1.3549 2.5510 2.5510 3.0376 3.0376 3.5910 3.5910 3.6523 3.6523 3.8754 3.8754 4.0249 4.0249 4.7557 4.7557 5.1513 5.1513 5.2090 5.2090 5.4229 5.4229 5.8330 5.8330 6.5097 6.5097 6.8957 6.8957 7.1341 7.1341 7.2094 7.2094 7.2178 7.2178 7.2772 7.2772 7.3599 7.3599 7.4439 7.4439 7.6281 7.6281 8.2941 8.2941 8.7551 8.7551 9.1290 9.1290 k = 0.5000-1.5892-1.0151 ( 4282 PWs) bands (ev): -5.7531 -5.7531 -5.6406 -5.6406 -4.4722 -4.4722 -4.3679 -4.3679 0.7895 0.7895 1.3577 1.3577 2.5531 2.5531 3.0371 3.0371 3.5805 3.5805 3.6597 3.6597 3.8760 3.8760 4.0088 4.0088 4.7538 4.7538 5.1474 5.1474 5.2041 5.2041 5.4128 5.4128 5.8476 5.8476 6.5114 6.5114 6.8958 6.8958 7.1335 7.1335 7.2076 7.2076 7.2206 7.2206 7.2788 7.2788 7.3562 7.3562 7.4429 7.4429 7.6304 7.6304 8.2938 8.2938 8.7479 8.7479 9.1201 9.1201 k = 0.5000-1.5710-1.0462 ( 4282 PWs) bands (ev): -5.7513 -5.7513 -5.6390 -5.6390 -4.4704 -4.4704 -4.3667 -4.3667 0.7943 0.7943 1.3623 1.3623 2.5565 2.5565 3.0361 3.0361 3.5663 3.5663 3.6688 3.6688 3.8768 3.8768 3.9824 3.9824 4.7506 4.7506 5.1395 5.1395 5.1975 5.1975 5.3977 5.3977 5.8699 5.8699 6.5143 6.5143 6.8960 6.8960 7.1325 7.1325 7.2056 7.2056 7.2242 7.2242 7.2813 7.2813 7.3502 7.3502 7.4411 7.4411 7.6342 7.6342 8.2932 8.2932 8.7366 8.7366 9.1052 9.1052 k = 0.5000-1.5527-1.0774 ( 4278 PWs) bands (ev): -5.7489 -5.7489 -5.6368 -5.6368 -4.4680 -4.4680 -4.3649 -4.3649 0.8012 0.8012 1.3688 1.3688 2.5612 2.5612 3.0348 3.0348 3.5496 3.5496 3.6784 3.6784 3.8778 3.8778 3.9468 3.9468 4.7461 4.7461 5.1262 5.1262 5.1909 5.1909 5.3793 5.3793 5.8980 5.8980 6.5184 6.5184 6.8961 6.8961 7.1310 7.1310 7.2035 7.2035 7.2284 7.2284 7.2847 7.2847 7.3426 7.3426 7.4386 7.4386 7.6391 7.6391 8.2919 8.2919 8.7222 8.7222 9.0842 9.0842 k = 0.5000-1.5345-1.1085 ( 4282 PWs) bands (ev): -5.7458 -5.7458 -5.6339 -5.6339 -4.4649 -4.4649 -4.3627 -4.3627 0.8099 0.8099 1.3771 1.3771 2.5670 2.5670 3.0330 3.0330 3.5309 3.5309 3.6878 3.6878 3.8767 3.8767 3.9047 3.9047 4.7401 4.7401 5.1066 5.1066 5.1856 5.1856 5.3591 5.3591 5.9298 5.9298 6.5236 6.5236 6.8960 6.8960 7.1292 7.1292 7.2014 7.2014 7.2330 7.2330 7.2886 7.2886 7.3339 7.3339 7.4354 7.4354 7.6449 7.6449 8.2896 8.2896 8.7057 8.7057 9.0573 9.0573 k = 0.5000-1.5162-1.1397 ( 4282 PWs) bands (ev): -5.7421 -5.7421 -5.6305 -5.6305 -4.4611 -4.4611 -4.3600 -4.3600 0.8205 0.8205 1.3871 1.3871 2.5740 2.5740 3.0308 3.0308 3.5104 3.5104 3.6968 3.6968 3.8449 3.8449 3.8862 3.8862 4.7326 4.7326 5.0810 5.0810 5.1818 5.1818 5.3380 5.3380 5.9638 5.9638 6.5298 6.5298 6.8956 6.8956 7.1270 7.1270 7.1991 7.1991 7.2377 7.2377 7.2922 7.2922 7.3255 7.3255 7.4315 7.4315 7.6515 7.6515 8.2859 8.2859 8.6886 8.6886 9.0249 9.0249 k = 0.5000-1.4980-1.1708 ( 4280 PWs) bands (ev): -5.7377 -5.7377 -5.6266 -5.6266 -4.4567 -4.4567 -4.3569 -4.3569 0.8331 0.8331 1.3990 1.3990 2.5818 2.5818 3.0281 3.0281 3.4881 3.4881 3.7050 3.7050 3.7876 3.7876 3.8871 3.8871 4.7236 4.7236 5.0502 5.0502 5.1789 5.1789 5.3167 5.3167 5.9988 5.9988 6.5371 6.5371 6.8947 6.8947 7.1245 7.1245 7.1968 7.1968 7.2420 7.2420 7.2939 7.2939 7.3202 7.3202 7.4270 7.4270 7.6587 7.6587 8.2803 8.2803 8.6720 8.6720 8.9874 8.9874 k = 0.5000-1.4797-1.2020 ( 4284 PWs) bands (ev): -5.7326 -5.7326 -5.6221 -5.6221 -4.4517 -4.4517 -4.3534 -4.3534 0.8475 0.8475 1.4127 1.4127 2.5903 2.5903 3.0248 3.0248 3.4640 3.4640 3.7068 3.7068 3.7298 3.7298 3.8896 3.8896 4.7128 4.7128 5.0153 5.0153 5.1767 5.1767 5.2956 5.2956 6.0341 6.0341 6.5454 6.5454 6.8933 6.8933 7.1216 7.1216 7.1943 7.1943 7.2442 7.2442 7.2921 7.2921 7.3210 7.3210 7.4219 7.4219 7.6665 7.6665 8.2725 8.2725 8.6569 8.6569 8.9455 8.9455 k = 0.5000-1.4615-1.2331 ( 4278 PWs) bands (ev): -5.7270 -5.7270 -5.6171 -5.6171 -4.4461 -4.4461 -4.3495 -4.3495 0.8637 0.8637 1.4280 1.4280 2.5991 2.5991 3.0208 3.0208 3.4383 3.4383 3.6507 3.6507 3.7251 3.7251 3.8925 3.8925 4.7002 4.7002 4.9771 4.9771 5.1748 5.1748 5.2750 5.2750 6.0690 6.0690 6.5546 6.5546 6.8913 6.8913 7.1185 7.1185 7.1916 7.1916 7.2423 7.2423 7.2906 7.2906 7.3264 7.3264 7.4164 7.4164 7.6747 7.6747 8.2622 8.2622 8.6442 8.6442 8.9003 8.9003 k = 0.5000-1.4432-1.2643 ( 4276 PWs) bands (ev): -5.7209 -5.7209 -5.6118 -5.6118 -4.4400 -4.4400 -4.3453 -4.3453 0.8818 0.8818 1.4451 1.4451 2.6078 2.6078 3.0161 3.0161 3.4108 3.4108 3.5796 3.5796 3.7321 3.7321 3.8958 3.8958 4.6857 4.6857 4.9363 4.9363 5.1731 5.1731 5.2550 5.2550 6.1030 6.1030 6.5646 6.5646 6.8885 6.8885 7.1151 7.1151 7.1887 7.1887 7.2352 7.2352 7.2928 7.2928 7.3341 7.3341 7.4106 7.4106 7.6832 7.6832 8.2494 8.2494 8.6344 8.6344 8.8527 8.8527 k = 0.5000-1.4249-1.2954 ( 4282 PWs) bands (ev): -5.7141 -5.7141 -5.6060 -5.6060 -4.4334 -4.4334 -4.3408 -4.3408 0.9016 0.9016 1.4638 1.4638 2.6157 2.6157 3.0103 3.0103 3.3817 3.3817 3.5067 3.5067 3.7395 3.7395 3.8993 3.8993 4.6691 4.6691 4.8936 4.8936 5.1714 5.1714 5.2358 5.2358 6.1359 6.1359 6.5754 6.5754 6.8851 6.8851 7.1115 7.1115 7.1853 7.1853 7.2244 7.2244 7.2981 7.2981 7.3429 7.3429 7.4047 7.4047 7.6919 7.6919 8.2344 8.2344 8.6274 8.6274 8.8037 8.8037 k = 0.5000-1.4067-1.3266 ( 4284 PWs) bands (ev): -5.7069 -5.7069 -5.5999 -5.5999 -4.4263 -4.4263 -4.3361 -4.3361 0.9232 0.9232 1.4842 1.4842 2.6220 2.6220 3.0032 3.0032 3.3509 3.3509 3.4341 3.4341 3.7468 3.7468 3.9029 3.9029 4.6504 4.6504 4.8497 4.8497 5.1696 5.1696 5.2177 5.2177 6.1676 6.1676 6.5867 6.5867 6.8810 6.8810 7.1076 7.1076 7.1814 7.1814 7.2121 7.2121 7.3048 7.3048 7.3524 7.3524 7.3994 7.3994 7.7010 7.7010 8.2175 8.2175 8.6228 8.6228 8.7543 8.7543 k = 0.5000-1.3884-1.3577 ( 4286 PWs) bands (ev): -5.6992 -5.6992 -5.5936 -5.5936 -4.4188 -4.4188 -4.3311 -4.3311 0.9464 0.9464 1.5061 1.5061 2.6255 2.6255 2.9945 2.9945 3.3180 3.3180 3.3649 3.3649 3.7540 3.7540 3.9067 3.9067 4.6292 4.6292 4.8050 4.8050 5.1675 5.1675 5.2011 5.2011 6.1979 6.1979 6.5985 6.5985 6.8763 6.8763 7.1035 7.1035 7.1762 7.1762 7.2000 7.2000 7.3114 7.3114 7.3618 7.3618 7.3956 7.3956 7.7103 7.7103 8.1994 8.1994 8.6202 8.6202 8.7055 8.7055 k = 0.5000-1.3702-1.3889 ( 4286 PWs) bands (ev): -5.6911 -5.6911 -5.5871 -5.5871 -4.4109 -4.4109 -4.3260 -4.3260 0.9712 0.9712 1.5294 1.5294 2.6247 2.6247 2.9836 2.9836 3.2785 3.2785 3.3063 3.3063 3.7611 3.7611 3.9105 3.9105 4.6055 4.6055 4.7601 4.7601 5.1645 5.1645 5.1866 5.1866 6.2268 6.2268 6.6106 6.6106 6.8711 6.8711 7.0992 7.0992 7.1685 7.1685 7.1902 7.1902 7.3165 7.3165 7.3704 7.3704 7.3951 7.3951 7.7199 7.7199 8.1805 8.1805 8.6173 8.6173 8.6596 8.6596 k = 0.5000-1.3519-1.4200 ( 4288 PWs) bands (ev): -5.6826 -5.6826 -5.5805 -5.5805 -4.4027 -4.4027 -4.3208 -4.3208 0.9976 0.9976 1.5543 1.5543 2.6174 2.6174 2.9699 2.9699 3.2275 3.2275 3.2667 3.2667 3.7682 3.7682 3.9144 3.9144 4.5793 4.5793 4.7155 4.7155 5.1591 5.1591 5.1761 5.1761 6.2542 6.2542 6.6230 6.6230 6.8653 6.8653 7.0946 7.0946 7.1578 7.1578 7.1835 7.1835 7.3186 7.3186 7.3772 7.3772 7.3999 7.3999 7.7297 7.7297 8.1614 8.1614 8.6005 8.6005 8.6304 8.6304 k = 0.5000-1.3337-1.4512 ( 4290 PWs) bands (ev): -5.6737 -5.6737 -5.5739 -5.5739 -4.3942 -4.3942 -4.3156 -4.3156 1.0254 1.0254 1.5804 1.5804 2.6014 2.6014 2.9525 2.9525 3.1792 3.1792 3.2354 3.2354 3.7752 3.7752 3.9182 3.9182 4.5505 4.5505 4.6714 4.6714 5.1501 5.1501 5.1707 5.1707 6.2803 6.2803 6.6355 6.6355 6.8592 6.8592 7.0895 7.0895 7.1456 7.1456 7.1788 7.1788 7.3172 7.3172 7.3834 7.3834 7.4091 7.4091 7.7396 7.7396 8.1423 8.1423 8.5613 8.5613 8.6266 8.6266 k = 0.5000-1.3154-1.4823 ( 4290 PWs) bands (ev): -5.6646 -5.6646 -5.5673 -5.5673 -4.3856 -4.3856 -4.3104 -4.3104 1.0546 1.0546 1.6078 1.6078 2.5750 2.5750 2.9307 2.9307 3.1414 3.1414 3.2081 3.2081 3.7822 3.7822 3.9221 3.9221 4.5193 4.5193 4.6284 4.6284 5.1402 5.1402 5.1681 5.1681 6.3050 6.3050 6.6479 6.6479 6.8529 6.8529 7.0838 7.0838 7.1335 7.1335 7.1752 7.1752 7.3124 7.3124 7.3906 7.3906 7.4208 7.4208 7.7498 7.7498 8.1237 8.1237 8.5209 8.5209 8.6267 8.6267 k = 0.5000-1.2972-1.5135 ( 4294 PWs) bands (ev): -5.6552 -5.6552 -5.5609 -5.5609 -4.3768 -4.3768 -4.3054 -4.3054 1.0849 1.0849 1.6363 1.6363 2.5377 2.5377 2.9038 2.9038 3.1160 3.1160 3.1845 3.1845 3.7894 3.7894 3.9260 3.9260 4.4856 4.4856 4.5865 4.5865 5.1313 5.1313 5.1664 5.1664 6.3284 6.3284 6.6602 6.6602 6.8463 6.8463 7.0770 7.0770 7.1223 7.1223 7.1720 7.1720 7.3054 7.3054 7.3990 7.3990 7.4336 7.4336 7.7599 7.7599 8.1055 8.1055 8.4833 8.4833 8.6270 8.6270 k = 0.5000-1.2789-1.5446 ( 4294 PWs) bands (ev): -5.6456 -5.6456 -5.5547 -5.5547 -4.3679 -4.3679 -4.3004 -4.3004 1.1164 1.1164 1.6659 1.6659 2.4905 2.4905 2.8720 2.8720 3.1024 3.1024 3.1648 3.1648 3.7966 3.7966 3.9298 3.9298 4.4500 4.4500 4.5461 4.5461 5.1240 5.1240 5.1653 5.1653 6.3504 6.3504 6.6722 6.6722 6.8395 6.8395 7.0689 7.0689 7.1128 7.1128 7.1692 7.1692 7.2970 7.2970 7.4082 7.4082 7.4469 7.4469 7.7700 7.7700 8.0879 8.0879 8.4493 8.4493 8.6268 8.6268 k = 0.5000-1.2606-1.5758 ( 4294 PWs) bands (ev): -5.6359 -5.6359 -5.5489 -5.5489 -4.3590 -4.3590 -4.2958 -4.2958 1.1488 1.1488 1.6962 1.6962 2.4358 2.4358 2.8356 2.8356 3.0987 3.0987 3.1491 3.1491 3.8039 3.8039 3.9336 3.9336 4.4126 4.4126 4.5072 4.5072 5.1184 5.1184 5.1644 5.1644 6.3712 6.3712 6.6839 6.6839 6.8327 6.8327 7.0595 7.0595 7.1052 7.1052 7.1667 7.1667 7.2877 7.2877 7.4177 7.4177 7.4606 7.4606 7.7798 7.7798 8.0708 8.0708 8.4194 8.4194 8.6257 8.6257 k = 0.5000-1.2424-1.6069 ( 4296 PWs) bands (ev): -5.6262 -5.6262 -5.5435 -5.5435 -4.3502 -4.3502 -4.2914 -4.2914 1.1818 1.1818 1.7272 1.7272 2.3762 2.3762 2.7955 2.7955 3.1022 3.1022 3.1370 3.1370 3.8113 3.8113 3.9375 3.9375 4.3740 4.3740 4.4700 4.4700 5.1145 5.1145 5.1638 5.1638 6.3907 6.3907 6.6951 6.6951 6.8259 6.8259 7.0491 7.0491 7.0994 7.0994 7.1644 7.1644 7.2780 7.2780 7.4274 7.4274 7.4743 7.4743 7.7894 7.7894 8.0542 8.0542 8.3939 8.3939 8.6234 8.6234 k = 0.5000-1.2241-1.6381 ( 4294 PWs) bands (ev): -5.6164 -5.6164 -5.5387 -5.5387 -4.3416 -4.3416 -4.2875 -4.2875 1.2152 1.2152 1.7586 1.7586 2.3144 2.3144 2.7528 2.7528 3.1104 3.1104 3.1283 3.1283 3.8189 3.8189 3.9416 3.9416 4.3348 4.3348 4.4347 4.4347 5.1124 5.1124 5.1634 5.1634 6.4089 6.4089 6.7058 6.7058 6.8191 6.8191 7.0382 7.0382 7.0948 7.0948 7.1624 7.1624 7.2682 7.2682 7.4369 7.4369 7.4878 7.4878 7.7984 7.7984 8.0380 8.0380 8.3732 8.3732 8.6200 8.6200 k = 0.5000-1.2059-1.6692 ( 4274 PWs) bands (ev): -5.6067 -5.6067 -5.5345 -5.5345 -4.3331 -4.3331 -4.2840 -4.2840 1.2486 1.2486 1.7900 1.7900 2.2526 2.2526 2.7087 2.7087 3.1164 3.1164 3.1274 3.1274 3.8267 3.8267 3.9458 3.9458 4.2955 4.2955 4.4013 4.4013 5.1118 5.1118 5.1632 5.1632 6.4258 6.4258 6.7160 6.7160 6.8125 6.8125 7.0274 7.0274 7.0914 7.0914 7.1608 7.1608 7.2587 7.2587 7.4463 7.4463 7.5012 7.5012 7.8067 7.8067 8.0221 8.0221 8.3575 8.3575 8.6152 8.6152 k = 0.5000-1.1876-1.7004 ( 4272 PWs) bands (ev): -5.5971 -5.5971 -5.5311 -5.5311 -4.3250 -4.3250 -4.2810 -4.2810 1.2814 1.2814 1.8210 1.8210 2.1926 2.1926 2.6644 2.6644 3.1135 3.1135 3.1389 3.1389 3.8345 3.8345 3.9505 3.9505 4.2568 4.2568 4.3700 4.3700 5.1127 5.1127 5.1631 5.1631 6.4412 6.4412 6.7254 6.7254 6.8060 6.8060 7.0170 7.0170 7.0885 7.0885 7.1592 7.1592 7.2493 7.2493 7.4553 7.4553 7.5140 7.5140 7.8143 7.8143 8.0065 8.0065 8.3468 8.3468 8.6093 8.6093 k = 0.5000-1.1694-1.7315 ( 4282 PWs) bands (ev): -5.5878 -5.5878 -5.5286 -5.5286 -4.3172 -4.3172 -4.2787 -4.2787 1.3131 1.3131 1.8512 1.8512 2.1360 2.1360 2.6210 2.6210 3.1103 3.1103 3.1525 3.1525 3.8424 3.8424 3.9557 3.9557 4.2195 4.2195 4.3409 4.3409 5.1148 5.1148 5.1632 5.1632 6.4551 6.4551 6.7341 6.7341 6.7997 6.7997 7.0073 7.0073 7.0861 7.0861 7.1579 7.1579 7.2404 7.2404 7.4637 7.4637 7.5261 7.5261 7.8209 7.8209 7.9911 7.9911 8.3413 8.3413 8.6022 8.6022 k = 0.5000-1.1511-1.7627 ( 4276 PWs) bands (ev): -5.5787 -5.5787 -5.5272 -5.5272 -4.3099 -4.3099 -4.2771 -4.2771 1.3428 1.3428 1.8797 1.8797 2.0846 2.0846 2.5799 2.5799 3.1083 3.1083 3.1654 3.1654 3.8502 3.8502 3.9617 3.9617 4.1842 4.1842 4.3144 4.3144 5.1179 5.1179 5.1633 5.1633 6.4674 6.4674 6.7420 6.7420 6.7938 6.7938 6.9987 6.9987 7.0841 7.0841 7.1567 7.1567 7.2322 7.2322 7.4715 7.4715 7.5373 7.5373 7.8267 7.8267 7.9758 7.9758 8.3409 8.3409 8.5941 8.5941 k = 0.5000-1.1329-1.7938 ( 4280 PWs) bands (ev): -5.5700 -5.5700 -5.5268 -5.5268 -4.3032 -4.3032 -4.2762 -4.2762 1.3693 1.3693 1.9057 1.9057 2.0400 2.0400 2.5424 2.5424 3.1073 3.1073 3.1763 3.1763 3.8579 3.8579 3.9689 3.9689 4.1516 4.1516 4.2905 4.2905 5.1220 5.1220 5.1636 5.1636 6.4778 6.4778 6.7489 6.7489 6.7883 6.7883 6.9913 6.9913 7.0823 7.0823 7.1557 7.1557 7.2250 7.2250 7.4785 7.4785 7.5475 7.5475 7.8317 7.8317 7.9608 7.9608 8.3452 8.3452 8.5852 8.5852 k = 0.5000-1.1146-1.8250 ( 4276 PWs) bands (ev): -5.5617 -5.5617 -5.5276 -5.5276 -4.2970 -4.2970 -4.2762 -4.2762 1.3914 1.3914 1.9279 1.9279 2.0041 2.0041 2.5102 2.5102 3.1074 3.1074 3.1842 3.1842 3.8652 3.8652 3.9777 3.9777 4.1223 4.1223 4.2696 4.2696 5.1266 5.1266 5.1638 5.1638 6.4862 6.4862 6.7551 6.7551 6.7833 6.7833 6.9854 6.9854 7.0806 7.0806 7.1546 7.1546 7.2192 7.2192 7.4845 7.4845 7.5564 7.5564 7.8361 7.8361 7.9463 7.9463 8.3540 8.3540 8.5757 8.5757 k = 0.5000-1.0963-1.8561 ( 4280 PWs) bands (ev): -5.5540 -5.5540 -5.5298 -5.5298 -4.2915 -4.2915 -4.2770 -4.2770 1.4077 1.4077 1.9448 1.9448 1.9787 1.9787 2.4849 2.4849 3.1084 3.1084 3.1884 3.1884 3.8721 3.8721 3.9884 3.9884 4.0968 4.0968 4.2519 4.2519 5.1317 5.1317 5.1641 5.1641 6.4924 6.4924 6.7604 6.7604 6.7789 6.7789 6.9812 6.9812 7.0790 7.0790 7.1534 7.1534 7.2148 7.2148 7.4893 7.4893 7.5636 7.5636 7.8398 7.8398 7.9326 7.9326 8.3669 8.3669 8.5658 8.5658 k = 0.5000-1.0781-1.8873 ( 4290 PWs) bands (ev): -5.5470 -5.5470 -5.5333 -5.5333 -4.2870 -4.2870 -4.2787 -4.2787 1.4171 1.4171 1.9539 1.9539 1.9662 1.9662 2.4682 2.4682 3.1104 3.1104 3.1881 3.1881 3.8784 3.8784 4.0014 4.0014 4.0755 4.0755 4.2377 4.2377 5.1370 5.1370 5.1642 5.1642 6.4961 6.4961 6.7649 6.7649 6.7750 6.7750 6.9787 6.9787 7.0776 7.0776 7.1521 7.1521 7.2122 7.2122 7.4927 7.4927 7.5691 7.5691 7.8428 7.8428 7.9202 7.9202 8.3831 8.3831 8.5557 8.5557 k = 0.5000-1.0598-1.9184 ( 4292 PWs) bands (ev): -5.5421 -5.5421 -5.5368 -5.5368 -4.2842 -4.2842 -4.2803 -4.2803 1.4195 1.4195 1.9557 1.9557 1.9658 1.9658 2.4612 2.4612 3.1134 3.1134 3.1830 3.1830 3.8839 3.8839 4.0166 4.0166 4.0590 4.0590 4.2273 4.2273 5.1423 5.1423 5.1643 5.1643 6.4974 6.4974 6.7687 6.7687 6.7718 6.7718 6.9780 6.9780 7.0762 7.0762 7.1507 7.1507 7.2114 7.2114 7.4946 7.4946 7.5725 7.5725 7.8447 7.8447 7.9103 7.9103 8.4023 8.4023 8.5456 8.5456 k = 0.5000-1.0416-1.9496 ( 4288 PWs) bands (ev): -5.5466 -5.5466 -5.5334 -5.5334 -4.2866 -4.2866 -4.2788 -4.2788 1.4155 1.4155 1.9551 1.9551 1.9720 1.9720 2.4642 2.4642 3.1172 3.1172 3.1732 3.1732 3.8884 3.8884 4.0294 4.0294 4.0520 4.0520 4.2209 4.2209 5.1473 5.1473 5.1643 5.1643 6.4963 6.4963 6.7674 6.7674 6.7738 6.7738 6.9790 6.9790 7.0750 7.0750 7.1494 7.1494 7.2126 7.2126 7.4949 7.4949 7.5735 7.5735 7.8448 7.8448 7.9041 7.9041 8.4239 8.4239 8.5357 8.5357 k = 0.8283-0.9922-1.8615 ( 4288 PWs) bands (ev): -5.5466 -5.5466 -5.5334 -5.5334 -4.2866 -4.2866 -4.2788 -4.2788 1.4155 1.4155 1.9551 1.9551 1.9720 1.9720 2.4642 2.4642 3.1172 3.1172 3.1732 3.1732 3.8884 3.8884 4.0294 4.0294 4.0520 4.0520 4.2209 4.2209 5.1473 5.1473 5.1643 5.1643 6.4963 6.4963 6.7674 6.7674 6.7738 6.7738 6.9790 6.9790 7.0750 7.0750 7.1494 7.1494 7.2126 7.2126 7.4949 7.4949 7.5735 7.5735 7.8448 7.8448 7.9041 7.9041 8.4239 8.4239 8.5357 8.5357 k = 0.8228-0.9745-1.8297 ( 4280 PWs) bands (ev): -5.5552 -5.5552 -5.5286 -5.5286 -4.2916 -4.2916 -4.2769 -4.2769 1.4068 1.4068 1.9461 1.9461 1.9903 1.9903 2.4767 2.4767 3.1222 3.1222 3.1587 3.1587 3.8921 3.8921 4.0269 4.0269 4.0675 4.0675 4.2186 4.2186 5.1516 5.1516 5.1645 5.1645 6.4926 6.4926 6.7640 6.7640 6.7779 6.7779 6.9816 6.9816 7.0742 7.0742 7.1484 7.1484 7.2156 7.2156 7.4933 7.4933 7.5718 7.5718 7.8425 7.8425 7.9027 7.9027 8.4476 8.4476 8.5260 8.5260 k = 0.8173-0.9567-1.7980 ( 4278 PWs) bands (ev): -5.5659 -5.5659 -5.5245 -5.5245 -4.2979 -4.2979 -4.2758 -4.2758 1.3952 1.3952 1.9313 1.9313 2.0174 2.0174 2.4973 2.4973 3.1280 3.1280 3.1404 3.1404 3.8950 3.8950 4.0203 4.0203 4.0937 4.0937 4.2205 4.2205 5.1544 5.1544 5.1653 5.1653 6.4866 6.4866 6.7603 6.7603 6.7824 6.7824 6.9854 6.9854 7.0739 7.0739 7.1479 7.1479 7.2204 7.2204 7.4897 7.4897 7.5671 7.5671 7.8387 7.8387 7.9060 7.9060 8.4722 8.4722 8.5172 8.5172 k = 0.8119-0.9389-1.7662 ( 4280 PWs) bands (ev): -5.5785 -5.5785 -5.5213 -5.5213 -4.3056 -4.3056 -4.2757 -4.2757 1.3829 1.3829 1.9131 1.9131 2.0508 2.0508 2.5243 2.5243 3.1181 3.1181 3.1358 3.1358 3.8971 3.8971 4.0151 4.0151 4.1246 4.1246 4.2265 4.2265 5.1552 5.1552 5.1672 5.1672 6.4784 6.4784 6.7565 6.7565 6.7872 6.7872 6.9901 6.9901 7.0742 7.0742 7.1482 7.1482 7.2267 7.2267 7.4842 7.4842 7.5593 7.5593 7.8347 7.8347 7.9130 7.9130 8.4943 8.4943 8.5119 8.5119 k = 0.8064-0.9211-1.7345 ( 4276 PWs) bands (ev): -5.5933 -5.5933 -5.5192 -5.5192 -4.3145 -4.3145 -4.2767 -4.2767 1.3715 1.3715 1.8935 1.8935 2.0887 2.0887 2.5561 2.5561 3.0942 3.0942 3.1442 3.1442 3.8989 3.8989 4.0117 4.0117 4.1590 4.1590 4.2364 4.2364 5.1543 5.1543 5.1698 5.1698 6.4684 6.4684 6.7525 6.7525 6.7921 6.7921 6.9952 6.9952 7.0755 7.0755 7.1495 7.1495 7.2346 7.2346 7.4769 7.4769 7.5485 7.5485 7.8319 7.8319 7.9225 7.9225 8.4961 8.4961 8.5277 8.5277 k = 0.8009-0.9033-1.7027 ( 4270 PWs) bands (ev): -5.6101 -5.6101 -5.5182 -5.5182 -4.3247 -4.3247 -4.2788 -4.2788 1.3620 1.3620 1.8738 1.8738 2.1295 2.1295 2.5914 2.5914 3.0687 3.0687 3.1539 3.1539 3.9006 3.9006 4.0098 4.0098 4.1961 4.1961 4.2501 4.2501 5.1523 5.1523 5.1722 5.1722 6.4568 6.4568 6.7486 6.7486 6.7970 6.7970 7.0002 7.0002 7.0781 7.0781 7.1520 7.1520 7.2437 7.2437 7.4679 7.4679 7.5347 7.5347 7.8308 7.8308 7.9339 7.9339 8.4896 8.4896 8.5521 8.5521 k = 0.7954-0.8855-1.6709 ( 4272 PWs) bands (ev): -5.6290 -5.6290 -5.5185 -5.5185 -4.3362 -4.3362 -4.2822 -4.2822 1.3556 1.3556 1.8549 1.8549 2.1723 2.1723 2.6292 2.6292 3.0427 3.0427 3.1652 3.1652 3.9026 3.9026 4.0093 4.0093 4.2347 4.2347 4.2677 4.2677 5.1496 5.1496 5.1741 5.1741 6.4440 6.4440 6.7447 6.7447 6.8017 6.8017 7.0048 7.0048 7.0820 7.0820 7.1558 7.1558 7.2542 7.2542 7.4575 7.4575 7.5184 7.5184 7.8318 7.8318 7.9468 7.9468 8.4829 8.4829 8.5763 8.5763 k = 0.7900-0.8677-1.6392 ( 4276 PWs) bands (ev): -5.6500 -5.6500 -5.5200 -5.5200 -4.3489 -4.3489 -4.2867 -4.2867 1.3526 1.3526 1.8377 1.8377 2.2158 2.2158 2.6688 2.6688 3.0170 3.0170 3.1780 3.1780 3.9052 3.9052 4.0098 4.0098 4.2710 4.2710 4.2925 4.2925 5.1463 5.1463 5.1754 5.1754 6.4302 6.4302 6.7410 6.7410 6.8060 6.8060 7.0086 7.0086 7.0874 7.0874 7.1609 7.1609 7.2658 7.2658 7.4457 7.4457 7.5000 7.5000 7.8348 7.8348 7.9608 7.9608 8.4769 8.4769 8.5992 8.5992 k = 0.7845-0.8499-1.6074 ( 4284 PWs) bands (ev): -5.6731 -5.6731 -5.5228 -5.5228 -4.3628 -4.3628 -4.2925 -4.2925 1.3537 1.3537 1.8227 1.8227 2.2593 2.2593 2.7095 2.7095 2.9926 2.9926 3.1924 3.1924 3.9086 3.9086 4.0113 4.0113 4.2986 4.2986 4.3299 4.3299 5.1428 5.1428 5.1761 5.1761 6.4157 6.4157 6.7377 6.7377 6.8098 6.8098 7.0115 7.0115 7.0942 7.0942 7.1675 7.1675 7.2786 7.2786 7.4330 7.4330 7.4800 7.4800 7.8396 7.8396 7.9757 7.9757 8.4715 8.4715 8.6203 8.6203 k = 0.7790-0.8321-1.5757 ( 4276 PWs) bands (ev): -5.6983 -5.6983 -5.5271 -5.5271 -4.3780 -4.3780 -4.2995 -4.2995 1.3589 1.3589 1.8103 1.8103 2.3018 2.3018 2.7510 2.7510 2.9704 2.9704 3.2087 3.2087 3.9129 3.9129 4.0138 4.0138 4.3230 4.3230 4.3738 4.3738 5.1390 5.1390 5.1762 5.1762 6.4008 6.4008 6.7348 6.7348 6.8130 6.8130 7.0137 7.0137 7.1021 7.1021 7.1757 7.1757 7.2925 7.2925 7.4195 7.4195 7.4591 7.4591 7.8460 7.8460 7.9914 7.9914 8.4669 8.4669 8.6393 8.6393 k = 0.7736-0.8143-1.5439 ( 4272 PWs) bands (ev): -5.7255 -5.7255 -5.5327 -5.5327 -4.3943 -4.3943 -4.3077 -4.3077 1.3686 1.3686 1.8008 1.8008 2.3423 2.3423 2.7929 2.7929 2.9514 2.9514 3.2270 3.2270 3.9183 3.9183 4.0170 4.0170 4.3477 4.3477 4.4198 4.4198 5.1353 5.1353 5.1759 5.1759 6.3857 6.3857 6.7323 6.7323 6.8154 6.8154 7.0151 7.0151 7.1107 7.1107 7.1853 7.1853 7.3072 7.3072 7.4056 7.4056 7.4378 7.4378 7.8539 7.8539 8.0077 8.0077 8.4632 8.4632 8.6558 8.6558 k = 0.7681-0.7966-1.5121 ( 4266 PWs) bands (ev): -5.7547 -5.7547 -5.5399 -5.5399 -4.4116 -4.4116 -4.3172 -4.3172 1.3827 1.3827 1.7943 1.7943 2.3795 2.3795 2.8350 2.8350 2.9368 2.9368 3.2472 3.2472 3.9247 3.9247 4.0210 4.0210 4.3731 4.3731 4.4669 4.4669 5.1319 5.1319 5.1753 5.1753 6.3705 6.3705 6.7302 6.7302 6.8170 6.8170 7.0160 7.0160 7.1199 7.1199 7.1963 7.1963 7.3225 7.3225 7.3916 7.3916 7.4168 7.4168 7.8630 7.8630 8.0246 8.0246 8.4604 8.4604 8.6699 8.6699 k = 0.7626-0.7788-1.4804 ( 4270 PWs) bands (ev): -5.7858 -5.7858 -5.5485 -5.5485 -4.4300 -4.4300 -4.3279 -4.3279 1.4012 1.4012 1.7911 1.7911 2.4121 2.4121 2.8770 2.8770 2.9278 2.9278 3.2695 3.2695 3.9321 3.9321 4.0258 4.0258 4.3993 4.3993 4.5146 4.5146 5.1291 5.1291 5.1745 5.1745 6.3556 6.3556 6.7284 6.7284 6.8177 6.8177 7.0162 7.0162 7.1291 7.1291 7.2085 7.2085 7.3371 7.3371 7.3774 7.3774 7.3977 7.3977 7.8732 7.8732 8.0419 8.0419 8.4585 8.4585 8.6814 8.6814 k = 0.7571-0.7610-1.4486 ( 4272 PWs) bands (ev): -5.8188 -5.8188 -5.5586 -5.5586 -4.4494 -4.4494 -4.3398 -4.3398 1.4240 1.4240 1.7911 1.7911 2.4390 2.4390 2.9183 2.9183 2.9263 2.9263 3.2941 3.2941 3.9402 3.9402 4.0313 4.0313 4.4259 4.4259 4.5624 4.5624 5.1273 5.1273 5.1736 5.1736 6.3410 6.3410 6.7270 6.7270 6.8174 6.8174 7.0160 7.0160 7.1383 7.1383 7.2217 7.2217 7.3464 7.3464 7.3633 7.3633 7.3857 7.3857 7.8845 7.8845 8.0595 8.0595 8.4576 8.4576 8.6905 8.6905 k = 0.7517-0.7432-1.4169 ( 4278 PWs) bands (ev): -5.8534 -5.8534 -5.5703 -5.5703 -4.4697 -4.4697 -4.3529 -4.3529 1.4510 1.4510 1.7944 1.7944 2.4590 2.4590 2.9313 2.9313 2.9606 2.9606 3.3208 3.3208 3.9489 3.9489 4.0377 4.0377 4.4528 4.4528 4.6102 4.6102 5.1268 5.1268 5.1728 5.1728 6.3270 6.3270 6.7260 6.7260 6.8162 6.8162 7.0152 7.0152 7.1472 7.1472 7.2358 7.2358 7.3384 7.3384 7.3525 7.3525 7.3902 7.3902 7.8967 7.8967 8.0774 8.0774 8.4578 8.4578 8.6974 8.6974 k = 0.7462-0.7254-1.3851 ( 4278 PWs) bands (ev): -5.8897 -5.8897 -5.5834 -5.5834 -4.4907 -4.4907 -4.3672 -4.3672 1.4819 1.4819 1.8010 1.8010 2.4718 2.4718 2.9454 2.9454 3.0018 3.0018 3.3497 3.3497 3.9580 3.9580 4.0449 4.0449 4.4797 4.4797 4.6577 4.6577 5.1282 5.1282 5.1724 5.1724 6.3139 6.3139 6.7252 6.7252 6.8140 6.8140 7.0138 7.0138 7.1557 7.1557 7.2506 7.2506 7.3209 7.3209 7.3431 7.3431 7.4055 7.4055 7.9098 7.9098 8.0956 8.0956 8.4590 8.4590 8.7024 8.7024 k = 0.7407-0.7076-1.3534 ( 4272 PWs) bands (ev): -5.9275 -5.9275 -5.5981 -5.5981 -4.5125 -4.5125 -4.3825 -4.3825 1.5165 1.5165 1.8108 1.8108 2.4778 2.4778 2.9672 2.9672 3.0427 3.0427 3.3809 3.3809 3.9670 3.9670 4.0531 4.0531 4.5065 4.5065 4.7045 4.7045 5.1318 5.1318 5.1724 5.1724 6.3019 6.3019 6.7245 6.7245 6.8109 6.8109 7.0118 7.0118 7.1636 7.1636 7.2656 7.2656 7.3026 7.3026 7.3349 7.3349 7.4239 7.4239 7.9238 7.9238 8.1141 8.1141 8.4615 8.4615 8.7057 8.7057 k = 0.7353-0.6898-1.3216 ( 4270 PWs) bands (ev): -5.9667 -5.9667 -5.6142 -5.6142 -4.5349 -4.5349 -4.3990 -4.3990 1.5543 1.5543 1.8238 1.8238 2.4784 2.4784 2.9957 2.9957 3.0834 3.0834 3.4141 3.4141 3.9757 3.9757 4.0623 4.0623 4.5332 4.5332 4.7505 4.7505 5.1380 5.1380 5.1731 5.1731 6.2911 6.2911 6.7238 6.7238 6.8067 6.8067 7.0091 7.0091 7.1710 7.1710 7.2792 7.2792 7.2863 7.2863 7.3288 7.3288 7.4434 7.4434 7.9386 7.9386 8.1326 8.1326 8.4653 8.4653 8.7076 8.7076 k = 0.7298-0.6720-1.2898 ( 4268 PWs) bands (ev): -6.0071 -6.0071 -5.6318 -5.6318 -4.5579 -4.5579 -4.4165 -4.4165 1.5948 1.5948 1.8399 1.8399 2.4751 2.4751 3.0293 3.0293 3.1238 3.1238 3.4493 3.4493 3.9835 3.9835 4.0726 4.0726 4.5597 4.5597 4.7955 4.7955 5.1471 5.1471 5.1745 5.1745 6.2817 6.2817 6.7231 6.7231 6.8017 6.8017 7.0055 7.0055 7.1775 7.1775 7.2677 7.2677 7.2953 7.2953 7.3261 7.3261 7.4632 7.4632 7.9541 7.9541 8.1513 8.1513 8.4703 8.4703 8.7084 8.7084 k = 0.7243-0.6542-1.2581 ( 4274 PWs) bands (ev): -6.0486 -6.0486 -5.6507 -5.6507 -4.5814 -4.5814 -4.4349 -4.4349 1.6374 1.6374 1.8589 1.8589 2.4696 2.4696 3.0668 3.0668 3.1641 3.1641 3.4864 3.4864 3.9901 3.9901 4.0841 4.0841 4.5861 4.5861 4.8393 4.8393 5.1588 5.1588 5.1773 5.1773 6.2741 6.2741 6.7220 6.7220 6.7959 6.7959 7.0012 7.0012 7.1829 7.1829 7.2531 7.2531 7.3050 7.3050 7.3296 7.3296 7.4832 7.4832 7.9704 7.9704 8.1700 8.1700 8.4768 8.4768 8.7082 8.7082 k = 0.7189-0.6364-1.2263 ( 4274 PWs) bands (ev): -6.0911 -6.0911 -5.6710 -5.6710 -4.6053 -4.6053 -4.4543 -4.4543 1.6812 1.6812 1.8807 1.8807 2.4635 2.4635 3.1068 3.1068 3.2043 3.2043 3.5251 3.5251 3.9952 3.9952 4.0970 4.0970 4.6128 4.6128 4.8816 4.8816 5.1708 5.1708 5.1838 5.1838 6.2682 6.2682 6.7205 6.7205 6.7896 6.7896 6.9961 6.9961 7.1865 7.1865 7.2411 7.2411 7.3092 7.3092 7.3407 7.3407 7.5030 7.5030 7.9873 7.9873 8.1887 8.1887 8.4848 8.4848 8.7075 8.7075 k = 0.7134-0.6187-1.1946 ( 4272 PWs) bands (ev): -6.1344 -6.1344 -5.6926 -5.6926 -4.6294 -4.6294 -4.4745 -4.4745 1.7251 1.7251 1.9053 1.9053 2.4586 2.4586 3.1484 3.1484 3.2446 3.2446 3.5654 3.5654 3.9983 3.9983 4.1114 4.1114 4.6401 4.6401 4.9224 4.9224 5.1779 5.1779 5.1995 5.1995 6.2645 6.2645 6.7184 6.7184 6.7829 6.7829 6.9903 6.9903 7.1868 7.1868 7.2335 7.2335 7.3116 7.3116 7.3553 7.3553 7.5224 7.5224 8.0047 8.0047 8.2073 8.2073 8.4943 8.4943 8.7063 8.7063 k = 0.7079-0.6009-1.1628 ( 4268 PWs) bands (ev): -6.1783 -6.1783 -5.7153 -5.7153 -4.6538 -4.6538 -4.4955 -4.4955 1.7676 1.7676 1.9323 1.9323 2.4567 2.4567 3.1908 3.1908 3.2849 3.2849 3.6069 3.6069 3.9992 3.9992 4.1275 4.1275 4.6682 4.6682 4.9615 4.9615 5.1827 5.1827 5.2214 5.2214 6.2630 6.2630 6.7153 6.7153 6.7764 6.7764 6.9840 6.9840 7.1828 7.1828 7.2314 7.2314 7.3143 7.3143 7.3709 7.3709 7.5414 7.5414 8.0226 8.0226 8.2256 8.2256 8.5053 8.5053 8.7048 8.7048 k = 0.7024-0.5831-1.1310 ( 4266 PWs) bands (ev): -6.2228 -6.2228 -5.7391 -5.7391 -4.6784 -4.6784 -4.5173 -4.5173 1.8071 1.8071 1.9616 1.9616 2.4598 2.4598 3.2334 3.2334 3.3254 3.3254 3.6496 3.6496 3.9979 3.9979 4.1455 4.1455 4.6977 4.6977 4.9988 4.9988 5.1873 5.1873 5.2472 5.2472 6.2638 6.2638 6.7108 6.7108 6.7704 6.7704 6.9773 6.9773 7.1751 7.1751 7.2341 7.2341 7.3178 7.3178 7.3867 7.3867 7.5597 7.5597 8.0408 8.0408 8.2435 8.2435 8.5178 8.5178 8.7032 8.7032 k = 0.6970-0.5653-1.0993 ( 4260 PWs) bands (ev): -6.2677 -6.2677 -5.7639 -5.7639 -4.7030 -4.7030 -4.5397 -4.5397 1.8416 1.8416 1.9931 1.9931 2.4697 2.4697 3.2757 3.2757 3.3659 3.3659 3.6933 3.6933 3.9944 3.9944 4.1654 4.1654 4.7287 4.7287 5.0342 5.0342 5.1923 5.1923 5.2762 5.2762 6.2671 6.2671 6.7050 6.7050 6.7654 6.7654 6.9703 6.9703 7.1658 7.1658 7.2396 7.2396 7.3220 7.3220 7.4023 7.4023 7.5772 7.5772 8.0592 8.0592 8.2606 8.2606 8.5318 8.5318 8.7017 8.7017 k = 0.6915-0.5475-1.0675 ( 4254 PWs) bands (ev): -6.3129 -6.3129 -5.7897 -5.7897 -4.7277 -4.7277 -4.5626 -4.5626 1.8692 1.8692 2.0265 2.0265 2.4886 2.4886 3.3172 3.3172 3.4064 3.4064 3.7377 3.7377 3.9889 3.9889 4.1876 4.1876 4.7615 4.7615 5.0676 5.0676 5.1974 5.1974 5.3079 5.3079 6.2729 6.2729 6.6975 6.6975 6.7615 6.7615 6.9632 6.9632 7.1558 7.1558 7.2469 7.2469 7.3268 7.3268 7.4176 7.4176 7.5938 7.5938 8.0776 8.0776 8.2767 8.2767 8.5471 8.5471 8.7006 8.7006 k = 0.6860-0.5297-1.0358 ( 4254 PWs) bands (ev): -6.3582 -6.3582 -5.8162 -5.8162 -4.7524 -4.7524 -4.5861 -4.5861 1.8884 1.8884 2.0616 2.0616 2.5178 2.5178 3.3576 3.3576 3.4467 3.4467 3.7827 3.7827 3.9820 3.9820 4.2121 4.2121 4.7960 4.7960 5.0990 5.0990 5.2029 5.2029 5.3421 5.3421 6.2812 6.2812 6.6887 6.6887 6.7589 6.7589 6.9561 6.9561 7.1458 7.1458 7.2551 7.2551 7.3319 7.3319 7.4323 7.4323 7.6093 7.6093 8.0959 8.0959 8.2912 8.2912 8.5634 8.5634 8.6999 8.6999 k = 0.6806-0.5119-1.0040 ( 4256 PWs) bands (ev): -6.4035 -6.4035 -5.8434 -5.8434 -4.7769 -4.7769 -4.6100 -4.6100 1.8987 1.8987 2.0981 2.0981 2.5576 2.5576 3.3966 3.3966 3.4864 3.4864 3.8281 3.8281 3.9744 3.9744 4.2391 4.2391 4.8323 4.8323 5.1281 5.1281 5.2087 5.2087 5.3786 5.3786 6.2919 6.2919 6.6790 6.6790 6.7574 6.7574 6.9491 6.9491 7.1358 7.1358 7.2641 7.2641 7.3372 7.3372 7.4462 7.4462 7.6237 7.6237 8.1139 8.1139 8.3034 8.3034 8.5806 8.5806 8.7000 8.7000 k = 0.6751-0.4941-0.9722 ( 4256 PWs) bands (ev): -6.4486 -6.4486 -5.8712 -5.8712 -4.8013 -4.8013 -4.6342 -4.6342 1.9006 1.9006 2.1359 2.1359 2.6076 2.6076 3.4338 3.4338 3.5250 3.5250 3.8735 3.8735 3.9670 3.9670 4.2688 4.2688 4.8703 4.8703 5.1546 5.1546 5.2152 5.2152 5.4172 5.4172 6.3049 6.3049 6.6686 6.6686 6.7569 6.7569 6.9423 6.9423 7.1260 7.1260 7.2737 7.2737 7.3424 7.3424 7.4592 7.4592 7.6369 7.6369 8.1316 8.1316 8.3126 8.3126 8.5982 8.5982 8.7009 8.7009 k = 0.6696-0.4763-0.9405 ( 4250 PWs) bands (ev): -6.4935 -6.4935 -5.8995 -5.8995 -4.8255 -4.8255 -4.6586 -4.6586 1.8952 1.8952 2.1746 2.1746 2.6665 2.6665 3.4691 3.4691 3.5617 3.5617 3.9182 3.9182 3.9618 3.9618 4.3013 4.3013 4.9098 4.9098 5.1775 5.1775 5.2235 5.2235 5.4579 5.4579 6.3200 6.3200 6.6579 6.6579 6.7574 6.7574 6.9357 6.9357 7.1164 7.1164 7.2837 7.2837 7.3475 7.3475 7.4712 7.4712 7.6490 7.6490 8.1489 8.1489 8.3178 8.3178 8.6156 8.6156 8.7031 8.7031 k = 0.6641-0.4585-0.9087 ( 4252 PWs) bands (ev): -6.5380 -6.5380 -5.9281 -5.9281 -4.8494 -4.8494 -4.6832 -4.6832 1.8838 1.8838 2.2139 2.2139 2.7329 2.7329 3.5023 3.5023 3.5952 3.5952 3.9506 3.9506 3.9717 3.9717 4.3365 4.3365 4.9505 4.9505 5.1947 5.1947 5.2355 5.2355 5.5004 5.5004 6.3368 6.3368 6.6473 6.6473 6.7587 6.7587 6.9294 6.9294 7.1070 7.1070 7.2938 7.2938 7.3524 7.3524 7.4817 7.4817 7.6597 7.6597 8.1657 8.1657 8.3179 8.3179 8.6322 8.6322 8.7067 8.7067 k = 0.6587-0.4408-0.8770 ( 4264 PWs) bands (ev): -6.5820 -6.5820 -5.9569 -5.9569 -4.8731 -4.8731 -4.7079 -4.7079 1.8676 1.8676 2.2536 2.2536 2.8052 2.8052 3.5333 3.5333 3.6241 3.6241 3.9562 3.9562 4.0129 4.0129 4.3747 4.3747 4.9922 4.9922 5.2054 5.2054 5.2522 5.2522 5.5446 5.5446 6.3552 6.3552 6.6370 6.6370 6.7607 6.7607 6.9232 6.9232 7.0977 7.0977 7.3039 7.3039 7.3569 7.3569 7.4907 7.4907 7.6691 7.6691 8.1820 8.1820 8.3118 8.3118 8.6476 8.6476 8.7120 8.7120 k = 0.6532-0.4230-0.8452 ( 4266 PWs) bands (ev): -6.6254 -6.6254 -5.9858 -5.9858 -4.8964 -4.8964 -4.7326 -4.7326 1.8480 1.8480 2.2934 2.2934 2.8821 2.8821 3.5619 3.5619 3.6467 3.6467 3.9653 3.9653 4.0570 4.0570 4.4156 4.4156 5.0347 5.0347 5.2117 5.2117 5.2716 5.2716 5.5906 5.5906 6.3747 6.3747 6.6271 6.6271 6.7636 6.7636 6.9172 6.9172 7.0887 7.0887 7.3133 7.3133 7.3615 7.3615 7.4978 7.4978 7.6772 7.6772 8.1979 8.1979 8.2993 8.2993 8.6611 8.6611 8.7193 8.7193 k = 0.6477-0.4052-0.8135 ( 4264 PWs) bands (ev): -6.6681 -6.6681 -6.0147 -6.0147 -4.9192 -4.9192 -4.7573 -4.7573 1.8256 1.8256 2.3330 2.3330 2.9624 2.9624 3.5883 3.5883 3.6619 3.6619 3.9827 3.9827 4.1008 4.1008 4.4593 4.4593 5.0779 5.0779 5.2160 5.2160 5.2917 5.2917 5.6381 5.6381 6.3949 6.3949 6.6180 6.6180 6.7672 6.7672 6.9113 6.9113 7.0800 7.0800 7.3213 7.3213 7.3664 7.3664 7.5026 7.5026 7.6842 7.6842 8.2134 8.2134 8.2802 8.2802 8.6723 8.6723 8.7290 8.7290 k = 0.6423-0.3874-0.7817 ( 4264 PWs) bands (ev): -6.7100 -6.7100 -6.0436 -6.0436 -4.9417 -4.9417 -4.7817 -4.7817 1.8014 1.8014 2.3721 2.3721 3.0452 3.0452 3.6123 3.6123 3.6697 3.6697 4.0088 4.0088 4.1437 4.1437 4.5054 4.5054 5.1214 5.1214 5.2195 5.2195 5.3115 5.3115 5.6870 5.6870 6.4154 6.4154 6.6098 6.6098 6.7715 6.7715 6.9055 6.9055 7.0715 7.0715 7.3269 7.3269 7.3723 7.3723 7.5049 7.5049 7.6902 7.6902 8.2284 8.2284 8.2555 8.2555 8.6811 8.6811 8.7413 8.7413 k = 0.6368-0.3696-0.7499 ( 4260 PWs) bands (ev): -6.7510 -6.7510 -6.0722 -6.0722 -4.9637 -4.9637 -4.8059 -4.8059 1.7757 1.7757 2.4103 2.4103 3.1297 3.1297 3.6338 3.6338 3.6718 3.6718 4.0428 4.0428 4.1854 4.1854 4.5538 4.5538 5.1649 5.1649 5.2232 5.2232 5.3308 5.3308 5.7371 5.7371 6.4359 6.4359 6.6025 6.6025 6.7766 6.7766 6.8997 6.8997 7.0633 7.0633 7.3293 7.3293 7.3795 7.3795 7.5041 7.5041 7.6953 7.6953 8.2263 8.2263 8.2434 8.2434 8.6877 8.6877 8.7566 8.7566 k = 0.6313-0.3518-0.7182 ( 4256 PWs) bands (ev): -6.7910 -6.7910 -6.1004 -6.1004 -4.9851 -4.9851 -4.8298 -4.8298 1.7492 1.7492 2.4474 2.4474 3.2149 3.2149 3.6516 3.6516 3.6714 3.6714 4.0832 4.0832 4.2258 4.2258 4.6040 4.6040 5.2050 5.2050 5.2309 5.2309 5.3494 5.3494 5.7881 5.7881 6.4560 6.4560 6.5963 6.5963 6.7821 6.7821 6.8939 6.8939 7.0556 7.0556 7.3282 7.3282 7.3876 7.3876 7.4999 7.4999 7.6997 7.6997 8.1948 8.1948 8.2576 8.2576 8.6925 8.6925 8.7750 8.7750 k = 0.6258-0.3340-0.6864 ( 4248 PWs) bands (ev): -6.8300 -6.8300 -6.1283 -6.1283 -5.0060 -5.0060 -4.8533 -4.8533 1.7221 1.7221 2.4830 2.4830 3.2999 3.2999 3.6576 3.6576 3.6789 3.6789 4.1284 4.1284 4.2648 4.2648 4.6556 4.6556 5.2236 5.2236 5.2616 5.2616 5.3672 5.3672 5.8397 5.8397 6.4754 6.4754 6.5913 6.5913 6.7882 6.7882 6.8880 6.8880 7.0482 7.0482 7.3239 7.3239 7.3954 7.3954 7.4918 7.4918 7.7040 7.7040 8.1628 8.1628 8.2717 8.2717 8.6961 8.6961 8.7965 8.7965 k = 0.6204-0.3162-0.6547 ( 4248 PWs) bands (ev): -6.8678 -6.8678 -6.1557 -6.1557 -5.0263 -5.0263 -4.8764 -4.8764 1.6948 1.6948 2.5168 2.5168 3.3838 3.3838 3.6532 3.6532 3.6947 3.6947 4.1771 4.1771 4.3023 4.3023 4.7076 4.7076 5.2311 5.2311 5.3053 5.3053 5.3844 5.3844 5.8913 5.8913 6.4937 6.4937 6.5874 6.5874 6.7946 6.7946 6.8820 6.8820 7.0413 7.0413 7.3167 7.3167 7.4020 7.4020 7.4794 7.4794 7.7082 7.7082 8.1321 8.1321 8.2853 8.2853 8.6992 8.6992 8.8210 8.8210 k = 0.6149-0.2984-0.6229 ( 4250 PWs) bands (ev): -6.9044 -6.9044 -6.1824 -6.1824 -5.0460 -5.0460 -4.8989 -4.8989 1.6675 1.6675 2.5485 2.5485 3.4650 3.4650 3.6474 3.6474 3.7123 3.7123 4.2281 4.2281 4.3385 4.3385 4.7591 4.7591 5.2398 5.2398 5.3505 5.3505 5.4013 5.4013 5.9425 5.9425 6.5107 6.5107 6.5848 6.5848 6.8011 6.8011 6.8758 6.8758 7.0348 7.0348 7.3066 7.3066 7.4058 7.4058 7.4625 7.4625 7.7130 7.7130 8.1046 8.1046 8.2985 8.2985 8.7028 8.7028 8.8481 8.8481 k = 0.6094-0.2806-0.5911 ( 4250 PWs) bands (ev): -6.9397 -6.9397 -6.2084 -6.2084 -5.0650 -5.0650 -4.9208 -4.9208 1.6404 1.6404 2.5778 2.5778 3.5409 3.5409 3.6421 3.6421 3.7326 3.7326 4.2800 4.2800 4.3740 4.3740 4.8087 4.8087 5.2523 5.2523 5.3933 5.3933 5.4209 5.4209 5.9928 5.9928 6.5262 6.5262 6.5836 6.5836 6.8073 6.8073 6.8697 6.8697 7.0288 7.0288 7.2938 7.2938 7.4049 7.4049 7.4424 7.4424 7.7186 7.7186 8.0818 8.0818 8.3112 8.3112 8.7078 8.7078 8.8771 8.8771 k = 0.6040-0.2629-0.5594 ( 4238 PWs) bands (ev): -6.9737 -6.9737 -6.2337 -6.2337 -5.0833 -5.0833 -4.9420 -4.9420 1.6138 1.6138 2.6046 2.6046 3.6051 3.6051 3.6393 3.6393 3.7603 3.7603 4.3307 4.3307 4.4107 4.4107 4.8546 4.8546 5.2704 5.2704 5.4210 5.4210 5.4558 5.4558 6.0416 6.0416 6.5398 6.5398 6.5841 6.5841 6.8127 6.8127 6.8641 6.8641 7.0234 7.0234 7.2784 7.2784 7.3936 7.3936 7.4238 7.4238 7.7252 7.7252 8.0649 8.0649 8.3232 8.3232 8.7150 8.7150 8.9074 8.9074 k = 0.5985-0.2451-0.5276 ( 4240 PWs) bands (ev): -7.0062 -7.0062 -6.2581 -6.2581 -5.1009 -5.1009 -4.9626 -4.9626 1.5878 1.5878 2.6287 2.6287 3.6312 3.6312 3.6587 3.6587 3.8022 3.8022 4.3764 4.3764 4.4516 4.4516 4.8948 4.8948 5.2960 5.2960 5.4368 5.4368 5.5026 5.5026 6.0881 6.0881 6.5510 6.5510 6.5864 6.5864 6.8157 6.8157 6.8600 6.8600 7.0184 7.0184 7.2603 7.2603 7.3675 7.3675 7.4115 7.4115 7.7329 7.7329 8.0544 8.0544 8.3343 8.3343 8.7251 8.7251 8.9377 8.9377 k = 0.5930-0.2273-0.4959 ( 4232 PWs) bands (ev): -7.0373 -7.0373 -6.2816 -6.2816 -5.1177 -5.1177 -4.9823 -4.9823 1.5625 1.5625 2.6499 2.6499 3.6319 3.6319 3.6864 3.6864 3.8594 3.8594 4.4137 4.4137 4.5002 4.5002 4.9277 4.9277 5.3304 5.3304 5.4500 5.4500 5.5525 5.5525 6.1317 6.1317 6.5593 6.5593 6.5913 6.5913 6.8145 6.8145 6.8590 6.8590 7.0139 7.0139 7.2398 7.2398 7.3330 7.3330 7.3998 7.3998 7.7415 7.7415 8.0506 8.0506 8.3442 8.3442 8.7389 8.7389 8.9673 8.9673 k = 0.5875-0.2095-0.4641 ( 4226 PWs) bands (ev): -7.0669 -7.0669 -6.3041 -6.3041 -5.1337 -5.1337 -5.0012 -5.0012 1.5381 1.5381 2.6683 2.6683 3.6333 3.6333 3.7033 3.7033 3.9250 3.9250 4.4430 4.4430 4.5560 4.5560 4.9526 4.9526 5.3732 5.3732 5.4631 5.4631 5.6038 5.6038 6.1716 6.1716 6.5645 6.5645 6.5987 6.5987 6.8081 6.8081 6.8617 6.8617 7.0098 7.0098 7.2167 7.2167 7.2948 7.2948 7.3852 7.3852 7.7506 7.7506 8.0533 8.0533 8.3528 8.3528 8.7567 8.7567 8.9953 8.9953 k = 0.5821-0.1917-0.4323 ( 4234 PWs) bands (ev): -7.0949 -7.0949 -6.3255 -6.3255 -5.1489 -5.1489 -5.0192 -5.0192 1.5146 1.5146 2.6839 2.6839 3.6364 3.6364 3.7142 3.7142 3.9926 3.9926 4.4665 4.4665 4.6164 4.6164 4.9699 4.9699 5.4203 5.4203 5.4797 5.4797 5.6561 5.6561 6.2069 6.2069 6.5676 6.5676 6.6077 6.6077 6.7975 6.7975 6.8669 6.8669 7.0061 7.0061 7.1911 7.1911 7.2553 7.2553 7.3672 7.3672 7.7598 7.7598 8.0620 8.0620 8.3600 8.3600 8.7787 8.7787 9.0215 9.0215 k = 0.5766-0.1739-0.4006 ( 4238 PWs) bands (ev): -7.1213 -7.1213 -6.3458 -6.3458 -5.1632 -5.1632 -5.0363 -5.0363 1.4923 1.4923 2.6968 2.6968 3.6412 3.6412 3.7218 3.7218 4.0595 4.0595 4.4862 4.4862 4.6797 4.6797 4.9811 4.9811 5.4557 5.4557 5.5145 5.5145 5.7093 5.7093 6.2368 6.2368 6.5694 6.5694 6.6176 6.6176 6.7836 6.7836 6.8734 6.8734 7.0027 7.0027 7.1630 7.1630 7.2166 7.2166 7.3458 7.3458 7.7687 7.7687 8.0760 8.0760 8.3657 8.3657 8.8050 8.8050 9.0457 9.0457 k = 0.5711-0.1561-0.3688 ( 4228 PWs) bands (ev): -7.1461 -7.1461 -6.3649 -6.3649 -5.1767 -5.1767 -5.0524 -5.0524 1.4712 1.4712 2.7072 2.7072 3.6476 3.6476 3.7273 3.7273 4.1241 4.1241 4.5029 4.5029 4.7450 4.7450 4.9875 4.9875 5.4716 5.4716 5.5737 5.5737 5.7632 5.7632 6.2601 6.2601 6.5703 6.5703 6.6278 6.6278 6.7673 6.7673 6.8802 6.8802 6.9996 6.9996 7.1326 7.1326 7.1805 7.1805 7.3211 7.3211 7.7770 7.7770 8.0947 8.0947 8.3701 8.3701 8.8353 8.8353 9.0680 9.0680 k = 0.5657-0.1383-0.3371 ( 4220 PWs) bands (ev): -7.1692 -7.1692 -6.3829 -6.3829 -5.1893 -5.1893 -5.0675 -5.0675 1.4513 1.4513 2.7154 2.7154 3.6553 3.6553 3.7314 3.7314 4.1857 4.1857 4.5171 4.5171 4.8117 4.8117 4.9905 4.9905 5.4804 5.4804 5.6431 5.6431 5.8174 5.8174 6.2758 6.2758 6.5707 6.5707 6.6380 6.6380 6.7494 6.7494 6.8868 6.8868 6.9968 6.9968 7.1006 7.1006 7.1478 7.1478 7.2935 7.2935 7.7844 7.7844 8.1172 8.1172 8.3732 8.3732 8.8688 8.8688 9.0886 9.0886 k = 0.5602-0.1205-0.3053 ( 4226 PWs) bands (ev): -7.1905 -7.1905 -6.3995 -6.3995 -5.2010 -5.2010 -5.0815 -5.0815 1.4327 1.4327 2.7215 2.7215 3.6639 3.6639 3.7345 3.7345 4.2437 4.2437 4.5292 4.5292 4.8794 4.8794 4.9908 4.9908 5.4867 5.4867 5.7168 5.7168 5.8717 5.8717 6.2825 6.2825 6.5706 6.5706 6.6483 6.6483 6.7309 6.7309 6.8927 6.8927 6.9940 6.9940 7.0685 7.0685 7.1186 7.1186 7.2631 7.2631 7.7907 7.7907 8.1427 8.1427 8.3753 8.3753 8.9049 8.9049 9.1073 9.1073 k = 0.5547-0.1027-0.2735 ( 4228 PWs) bands (ev): -7.2101 -7.2101 -6.4149 -6.4149 -5.2117 -5.2117 -5.0944 -5.0944 1.4156 1.4156 2.7260 2.7260 3.6733 3.6733 3.7369 3.7369 4.2979 4.2979 4.5395 4.5395 4.9478 4.9478 4.9894 4.9894 5.4916 5.4916 5.7927 5.7927 5.9260 5.9260 6.2792 6.2792 6.5702 6.5702 6.6583 6.6583 6.7131 6.7131 6.8973 6.8973 6.9912 6.9912 7.0378 7.0378 7.0928 7.0928 7.2302 7.2302 7.7959 7.7959 8.1703 8.1703 8.3767 8.3767 8.9428 8.9428 9.1243 9.1243 k = 0.5492-0.0850-0.2418 ( 4230 PWs) bands (ev): -7.2279 -7.2279 -6.4288 -6.4288 -5.2214 -5.2214 -5.1062 -5.1062 1.3999 1.3999 2.7290 2.7290 3.6828 3.6828 3.7387 3.7387 4.3480 4.3480 4.5482 4.5482 4.9868 4.9868 5.0167 5.0167 5.4954 5.4954 5.8690 5.8690 5.9797 5.9797 6.2654 6.2654 6.5695 6.5695 6.6680 6.6680 6.6973 6.6973 6.8993 6.8993 6.9877 6.9877 7.0104 7.0104 7.0702 7.0702 7.1951 7.1951 7.8000 7.8000 8.1991 8.1991 8.3774 8.3774 8.9815 8.9815 9.1396 9.1396 k = 0.5438-0.0672-0.2100 ( 4232 PWs) bands (ev): -7.2439 -7.2439 -6.4414 -6.4414 -5.2302 -5.2302 -5.1168 -5.1168 1.3858 1.3858 2.7310 2.7310 3.6923 3.6923 3.7402 3.7402 4.3937 4.3937 4.5554 4.5554 4.9833 4.9833 5.0857 5.0857 5.4985 5.4985 5.9444 5.9444 6.0324 6.0324 6.2419 6.2419 6.5689 6.5689 6.6755 6.6755 6.6858 6.6858 6.8967 6.8967 6.9804 6.9804 6.9919 6.9919 7.0508 7.0508 7.1582 7.1582 7.8031 7.8031 8.2281 8.2281 8.3777 8.3777 9.0199 9.0199 9.1532 9.1532 k = 0.5383-0.0494-0.1783 ( 4240 PWs) bands (ev): -7.2581 -7.2581 -6.4526 -6.4526 -5.2380 -5.2380 -5.1262 -5.1262 1.3732 1.3732 2.7321 2.7321 3.7013 3.7013 3.7414 3.7414 4.4348 4.4348 4.5615 4.5615 4.9792 4.9792 5.1544 5.1544 5.5009 5.5009 6.0167 6.0167 6.0832 6.0832 6.2112 6.2112 6.5684 6.5684 6.6692 6.6692 6.6898 6.6898 6.8868 6.8868 6.9684 6.9684 6.9855 6.9855 7.0344 7.0344 7.1199 7.1199 7.8053 7.8053 8.2563 8.2563 8.3778 8.3778 9.0569 9.0569 9.1652 9.1652 k = 0.5328-0.0316-0.1465 ( 4238 PWs) bands (ev): -7.2704 -7.2704 -6.4624 -6.4624 -5.2448 -5.2448 -5.1345 -5.1345 1.3622 1.3622 2.7325 2.7325 3.7095 3.7095 3.7425 3.7425 4.4712 4.4712 4.5665 4.5665 4.9750 4.9750 5.2222 5.2222 5.5027 5.5027 6.0792 6.0792 6.1285 6.1285 6.1838 6.1838 6.5683 6.5683 6.6584 6.6584 6.6991 6.6991 6.8700 6.8700 6.9622 6.9622 6.9808 6.9808 7.0207 7.0207 7.0815 7.0815 7.8068 7.8068 8.2828 8.2828 8.3779 8.3779 9.0917 9.0917 9.1755 9.1755 k = 0.5274-0.0138-0.1148 ( 4236 PWs) bands (ev): -7.2809 -7.2809 -6.4707 -6.4707 -5.2505 -5.2505 -5.1415 -5.1415 1.3528 1.3528 2.7326 2.7326 3.7165 3.7165 3.7438 3.7438 4.5025 4.5025 4.5706 4.5706 4.9708 4.9708 5.2883 5.2883 5.5041 5.5041 6.0907 6.0907 6.1713 6.1713 6.1982 6.1982 6.5689 6.5689 6.6464 6.6464 6.7091 6.7091 6.8504 6.8504 6.9606 6.9606 6.9731 6.9731 7.0092 7.0092 7.0459 7.0459 7.8077 7.8077 8.3065 8.3065 8.3784 8.3784 9.1230 9.1230 9.1842 9.1842 k = 0.5219 0.0040-0.0830 ( 4234 PWs) bands (ev): -7.2894 -7.2894 -6.4775 -6.4775 -5.2552 -5.2552 -5.1472 -5.1472 1.3452 1.3452 2.7324 2.7324 3.7221 3.7221 3.7452 3.7452 4.5285 4.5285 4.5740 4.5740 4.9668 4.9668 5.3515 5.3515 5.5052 5.5052 6.0527 6.0527 6.2253 6.2253 6.2387 6.2387 6.5702 6.5702 6.6326 6.6326 6.7201 6.7201 6.8321 6.8321 6.9530 6.9530 6.9642 6.9642 7.0002 7.0002 7.0191 7.0191 7.8082 7.8082 8.3263 8.3263 8.3794 8.3794 9.1500 9.1500 9.1914 9.1914 k = 0.5164 0.0218-0.0512 ( 4236 PWs) bands (ev): -7.2961 -7.2961 -6.4828 -6.4828 -5.2589 -5.2589 -5.1517 -5.1517 1.3391 1.3391 2.7321 2.7321 3.7262 3.7262 3.7467 3.7467 4.5487 4.5487 4.5771 4.5771 4.9633 4.9633 5.4092 5.4092 5.5061 5.5061 6.0076 6.0076 6.2744 6.2744 6.2787 6.2787 6.5722 6.5722 6.6168 6.6168 6.7325 6.7325 6.8176 6.8176 6.9233 6.9233 6.9654 6.9654 6.9946 6.9946 7.0043 7.0043 7.8084 7.8084 8.3411 8.3411 8.3816 8.3816 9.1715 9.1715 9.1974 9.1974 k = 0.5109 0.0396-0.0195 ( 4238 PWs) bands (ev): -7.3009 -7.3009 -6.4866 -6.4866 -5.2615 -5.2615 -5.1549 -5.1549 1.3348 1.3348 2.7318 2.7318 3.7287 3.7287 3.7482 3.7482 4.5623 4.5623 4.5801 4.5801 4.9607 4.9607 5.4578 5.4578 5.5072 5.5072 5.9660 5.9660 6.3125 6.3125 6.3130 6.3130 6.5740 6.5740 6.6013 6.6013 6.7468 6.7468 6.8088 6.8088 6.8870 6.8870 6.9677 6.9677 6.9916 6.9916 6.9962 6.9962 7.8084 7.8084 8.3505 8.3505 8.3848 8.3848 9.1865 9.1865 9.2026 9.2026 k = 0.5055 0.0574 0.0123 ( 4232 PWs) bands (ev): -7.3038 -7.3038 -6.4889 -6.4889 -5.2631 -5.2631 -5.1568 -5.1568 1.3323 1.3323 2.7316 2.7316 3.7301 3.7301 3.7493 3.7493 4.5692 4.5692 4.5834 4.5834 4.9590 4.9590 5.4897 5.4897 5.5102 5.5102 5.9357 5.9357 6.3355 6.3355 6.3382 6.3382 6.5731 6.5731 6.5914 6.5914 6.7609 6.7609 6.8085 6.8085 6.8519 6.8519 6.9696 6.9696 6.9901 6.9901 6.9917 6.9917 7.8084 7.8084 8.3551 8.3551 8.3879 8.3879 9.1944 9.1944 9.2070 9.2070 k = 0.5000 0.0752 0.0440 ( 4240 PWs) bands (ev): -7.3047 -7.3047 -6.4897 -6.4897 -5.2637 -5.2637 -5.1574 -5.1574 1.3314 1.3314 2.7315 2.7315 3.7305 3.7305 3.7497 3.7497 4.5711 4.5711 4.5849 4.5849 4.9584 4.9584 5.4982 5.4982 5.5146 5.5146 5.9242 5.9242 6.3436 6.3436 6.3472 6.3472 6.5711 6.5711 6.5891 6.5891 6.7673 6.7673 6.8196 6.8196 6.8270 6.8270 6.9704 6.9704 6.9894 6.9894 6.9903 6.9903 7.8081 7.8081 8.3564 8.3564 8.3892 8.3892 9.1965 9.1965 9.2090 9.2090 k = 0.5000 0.0752 0.0440 ( 4240 PWs) bands (ev): -7.3047 -7.3047 -6.4897 -6.4897 -5.2637 -5.2637 -5.1574 -5.1574 1.3314 1.3314 2.7315 2.7315 3.7305 3.7305 3.7497 3.7497 4.5711 4.5711 4.5849 4.5849 4.9584 4.9584 5.4982 5.4982 5.5146 5.5146 5.9242 5.9242 6.3436 6.3436 6.3472 6.3472 6.5711 6.5711 6.5891 6.5891 6.7673 6.7673 6.8196 6.8196 6.8270 6.8270 6.9704 6.9704 6.9894 6.9894 6.9903 6.9903 7.8081 7.8081 8.3564 8.3564 8.3892 8.3892 9.1965 9.1965 9.2090 9.2090 k = 0.4643 0.0698 0.0409 ( 4240 PWs) bands (ev): -7.3048 -7.3048 -6.4892 -6.4892 -5.2692 -5.2692 -5.1521 -5.1521 1.3288 1.3288 2.7375 2.7375 3.7305 3.7305 3.7497 3.7497 4.5712 4.5712 4.5851 4.5851 4.9486 4.9486 5.4978 5.4978 5.5142 5.5142 5.9297 5.9297 6.3436 6.3436 6.3472 6.3472 6.5712 6.5712 6.5892 6.5892 6.7670 6.7670 6.8137 6.8137 6.8274 6.8274 6.9761 6.9761 6.9894 6.9894 6.9934 6.9934 7.8079 7.8079 8.3555 8.3555 8.3883 8.3883 9.1975 9.1975 9.2100 9.2100 k = 0.4286 0.0644 0.0377 ( 4256 PWs) bands (ev): -7.3051 -7.3051 -6.4880 -6.4880 -5.2833 -5.2833 -5.1388 -5.1388 1.3214 1.3214 2.7554 2.7554 3.7304 3.7304 3.7496 3.7496 4.5716 4.5716 4.5855 4.5855 4.9202 4.9202 5.4968 5.4968 5.5129 5.5129 5.9451 5.9451 6.3436 6.3436 6.3471 6.3471 6.5713 6.5713 6.5895 6.5895 6.7654 6.7654 6.8000 6.8000 6.8287 6.8287 6.9821 6.9821 6.9891 6.9891 7.0105 7.0105 7.8063 7.8063 8.3528 8.3528 8.3856 8.3856 9.2004 9.2004 9.2129 9.2129 k = 0.3929 0.0590 0.0346 ( 4238 PWs) bands (ev): -7.3055 -7.3055 -6.4859 -6.4859 -5.3018 -5.3018 -5.1215 -5.1215 1.3097 1.3097 2.7844 2.7844 3.7303 3.7303 3.7495 3.7495 4.5723 4.5723 4.5862 4.5862 4.8758 4.8758 5.4952 5.4952 5.5111 5.5111 5.9684 5.9684 6.3436 6.3436 6.3472 6.3472 6.5716 6.5716 6.5901 6.5901 6.7590 6.7590 6.7876 6.7876 6.8309 6.8309 6.9837 6.9837 6.9890 6.9890 7.0411 7.0411 7.8036 7.8036 8.3485 8.3485 8.3813 8.3813 9.2051 9.2051 9.2176 9.2176 k = 0.3571 0.0537 0.0315 ( 4232 PWs) bands (ev): -7.3060 -7.3060 -6.4832 -6.4832 -5.3219 -5.3219 -5.1029 -5.1029 1.2946 1.2946 2.8234 2.8234 3.7302 3.7302 3.7494 3.7494 4.5733 4.5733 4.5871 4.5871 4.8182 4.8182 5.4931 5.4931 5.5087 5.5087 5.9970 5.9970 6.3437 6.3437 6.3472 6.3472 6.5717 6.5717 6.5908 6.5908 6.7443 6.7443 6.7831 6.7831 6.8338 6.8338 6.9840 6.9840 6.9886 6.9886 7.0780 7.0780 7.7999 7.7999 8.3429 8.3429 8.3757 8.3757 9.2113 9.2113 9.2238 9.2238 k = 0.3214 0.0483 0.0283 ( 4238 PWs) bands (ev): -7.3067 -7.3067 -6.4799 -6.4799 -5.3424 -5.3424 -5.0843 -5.0843 1.2771 1.2771 2.8711 2.8711 3.7300 3.7300 3.7492 3.7492 4.5743 4.5743 4.5882 4.5882 4.7507 4.7507 5.4906 5.4906 5.5058 5.5058 6.0283 6.0283 6.3437 6.3437 6.3472 6.3472 6.5716 6.5716 6.5916 6.5916 6.7258 6.7258 6.7832 6.7832 6.8372 6.8372 6.9839 6.9839 6.9881 6.9881 7.1182 7.1182 7.7951 7.7951 8.3361 8.3361 8.3689 8.3689 9.2187 9.2187 9.2312 9.2312 k = 0.2857 0.0429 0.0252 ( 4244 PWs) bands (ev): -7.3074 -7.3074 -6.4762 -6.4762 -5.3624 -5.3624 -5.0665 -5.0665 1.2584 1.2584 2.9259 2.9259 3.7298 3.7298 3.7490 3.7490 4.5755 4.5755 4.5894 4.5894 4.6763 4.6763 5.4878 5.4878 5.5026 5.5026 6.0604 6.0604 6.3437 6.3437 6.3472 6.3472 6.5709 6.5709 6.5924 6.5924 6.7074 6.7074 6.7851 6.7851 6.8412 6.8412 6.9837 6.9837 6.9875 6.9875 7.1599 7.1599 7.7891 7.7891 8.3287 8.3287 8.3615 8.3615 9.2269 9.2269 9.2395 9.2395 k = 0.2500 0.0376 0.0220 ( 4244 PWs) bands (ev): -7.3081 -7.3081 -6.4722 -6.4722 -5.3812 -5.3812 -5.0500 -5.0500 1.2394 1.2394 2.9860 2.9860 3.7296 3.7296 3.7488 3.7488 4.5762 4.5762 4.5907 4.5907 4.5982 4.5982 5.4848 5.4848 5.4993 5.4993 6.0917 6.0917 6.3438 6.3438 6.3472 6.3472 6.5694 6.5694 6.5933 6.5933 6.6906 6.6906 6.7878 6.7878 6.8454 6.8454 6.9835 6.9835 6.9869 6.9869 7.2021 7.2021 7.7820 7.7820 8.3210 8.3210 8.3538 8.3538 9.2355 9.2355 9.2481 9.2481 k = 0.2143 0.0322 0.0189 ( 4253 PWs) bands (ev): -7.3089 -7.3089 -6.4682 -6.4682 -5.3984 -5.3984 -5.0351 -5.0351 1.2212 1.2212 3.0495 3.0495 3.7294 3.7294 3.7486 3.7486 4.5169 4.5169 4.5785 4.5785 4.5919 4.5919 5.4818 5.4818 5.4960 5.4960 6.1209 6.1209 6.3439 6.3439 6.3472 6.3472 6.5669 6.5669 6.5940 6.5940 6.6761 6.6761 6.7907 6.7907 6.8497 6.8497 6.9831 6.9831 6.9862 6.9862 7.2432 7.2432 7.7740 7.7740 8.3133 8.3133 8.3462 8.3462 9.2441 9.2441 9.2568 9.2568 k = 0.1786 0.0268 0.0157 ( 4244 PWs) bands (ev): -7.3096 -7.3096 -6.4644 -6.4644 -5.4137 -5.4137 -5.0221 -5.0221 1.2044 1.2044 3.1142 3.1142 3.7292 3.7292 3.7484 3.7484 4.4377 4.4377 4.5797 4.5797 4.5932 4.5932 5.4790 5.4790 5.4929 5.4929 6.1472 6.1472 6.3440 6.3440 6.3472 6.3472 6.5635 6.5635 6.5948 6.5948 6.6642 6.6642 6.7937 6.7937 6.8539 6.8539 6.9828 6.9828 6.9855 6.9855 7.2821 7.2821 7.7653 7.7653 8.3061 8.3061 8.3390 8.3390 9.2522 9.2522 9.2650 9.2650 k = 0.1429 0.0215 0.0126 ( 4247 PWs) bands (ev): -7.3102 -7.3102 -6.4610 -6.4610 -5.4266 -5.4266 -5.0112 -5.0112 1.1899 1.1899 3.1772 3.1772 3.7289 3.7289 3.7482 3.7482 4.3626 4.3626 4.5807 4.5807 4.5943 4.5943 5.4764 5.4764 5.4900 5.4900 6.1700 6.1700 6.3441 6.3441 6.3472 6.3472 6.5591 6.5591 6.5955 6.5955 6.6551 6.6551 6.7966 6.7966 6.8578 6.8578 6.9824 6.9824 6.9847 6.9847 7.3174 7.3174 7.7563 7.7563 8.2996 8.2996 8.3326 8.3326 9.2596 9.2596 9.2724 9.2724 k = 0.1071 0.0161 0.0094 ( 4250 PWs) bands (ev): -7.3107 -7.3107 -6.4581 -6.4581 -5.4370 -5.4370 -5.0026 -5.0026 1.1780 1.1780 3.2348 3.2348 3.7288 3.7288 3.7480 3.7480 4.2954 4.2954 4.5817 4.5817 4.5953 4.5953 5.4743 5.4743 5.4877 5.4877 6.1885 6.1885 6.3442 6.3442 6.3472 6.3472 6.5545 6.5545 6.5960 6.5960 6.6486 6.6486 6.7990 6.7990 6.8611 6.8611 6.9821 6.9821 6.9841 6.9841 7.3475 7.3475 7.7475 7.7475 8.2943 8.2943 8.3273 8.3273 9.2657 9.2657 9.2786 9.2786 k = 0.0714 0.0107 0.0063 ( 4247 PWs) bands (ev): -7.3111 -7.3111 -6.4559 -6.4559 -5.4446 -5.4446 -4.9963 -4.9963 1.1692 1.1692 3.2823 3.2823 3.7287 3.7287 3.7479 3.7479 4.2410 4.2410 4.5824 4.5824 4.5960 4.5960 5.4727 5.4727 5.4860 5.4860 6.2023 6.2023 6.3443 6.3443 6.3472 6.3472 6.5503 6.5503 6.5964 6.5964 6.6443 6.6443 6.8009 6.8009 6.8636 6.8636 6.9818 6.9818 6.9836 6.9836 7.3707 7.3707 7.7401 7.7401 8.2903 8.2903 8.3234 8.3234 9.2703 9.2703 9.2833 9.2833 k = 0.0357 0.0054 0.0031 ( 4247 PWs) bands (ev): -7.3114 -7.3114 -6.4545 -6.4545 -5.4492 -5.4492 -4.9926 -4.9926 1.1639 1.1639 3.3142 3.3142 3.7286 3.7286 3.7478 3.7478 4.2050 4.2050 4.5828 4.5828 4.5964 4.5964 5.4718 5.4718 5.4849 5.4849 6.2108 6.2108 6.3444 6.3444 6.3472 6.3472 6.5474 6.5474 6.5966 6.5966 6.6419 6.6419 6.8020 6.8020 6.8652 6.8652 6.9817 6.9817 6.9832 6.9832 7.3855 7.3855 7.7350 7.7350 8.2878 8.2878 8.3209 8.3209 9.2732 9.2732 9.2862 9.2862 k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -7.3114 -7.3114 -6.4540 -6.4540 -5.4508 -5.4508 -4.9913 -4.9913 1.1621 1.1621 3.3255 3.3255 3.7286 3.7286 3.7478 3.7478 4.1922 4.1922 4.5830 4.5830 4.5966 4.5966 5.4714 5.4714 5.4845 5.4845 6.2136 6.2136 6.3444 6.3444 6.3472 6.3472 6.5463 6.5463 6.5967 6.5967 6.6412 6.6412 6.8024 6.8024 6.8657 6.8657 6.9816 6.9816 6.9831 6.9831 7.3906 7.3906 7.7331 7.7331 8.2870 8.2870 8.3201 8.3201 9.2742 9.2742 9.2871 9.2871 k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -7.3114 -7.3114 -6.4540 -6.4540 -5.4508 -5.4508 -4.9913 -4.9913 1.1621 1.1621 3.3255 3.3255 3.7286 3.7286 3.7478 3.7478 4.1922 4.1922 4.5830 4.5830 4.5966 4.5966 5.4714 5.4714 5.4845 5.4845 6.2136 6.2136 6.3444 6.3444 6.3472 6.3472 6.5463 6.5463 6.5967 6.5967 6.6412 6.6412 6.8024 6.8024 6.8657 6.8657 6.9816 6.9816 6.9831 6.9831 7.3906 7.3906 7.7331 7.7331 8.2870 8.2870 8.3201 8.3201 9.2742 9.2742 9.2871 9.2871 k = 0.0055-0.0179-0.0320 ( 4245 PWs) bands (ev): -7.3105 -7.3105 -6.4533 -6.4533 -5.4500 -5.4500 -4.9908 -4.9908 1.1631 1.1631 3.3242 3.3242 3.7286 3.7286 3.7478 3.7478 4.1900 4.1900 4.5826 4.5826 4.5962 4.5962 5.4691 5.4691 5.4827 5.4827 6.2130 6.2130 6.3370 6.3370 6.3389 6.3389 6.5515 6.5515 6.6003 6.6003 6.6446 6.6446 6.8040 6.8040 6.8671 6.8671 6.9818 6.9818 6.9832 6.9832 7.3880 7.3880 7.7332 7.7332 8.2873 8.2873 8.3203 8.3203 9.2719 9.2719 9.2852 9.2852 k = 0.0110-0.0358-0.0639 ( 4243 PWs) bands (ev): -7.3076 -7.3076 -6.4511 -6.4511 -5.4479 -5.4479 -4.9894 -4.9894 1.1663 1.1663 3.3200 3.3200 3.7286 3.7286 3.7477 3.7477 4.1834 4.1834 4.5815 4.5815 4.5952 4.5952 5.4597 5.4597 5.4797 5.4797 6.2099 6.2099 6.3146 6.3146 6.3195 6.3195 6.5645 6.5645 6.6095 6.6095 6.6546 6.6546 6.8087 6.8087 6.8713 6.8713 6.9818 6.9818 6.9837 6.9837 7.3801 7.3801 7.7332 7.7332 8.2882 8.2882 8.3208 8.3208 9.2632 9.2632 9.2810 9.2810 k = 0.0165-0.0537-0.0959 ( 4245 PWs) bands (ev): -7.3027 -7.3027 -6.4473 -6.4473 -5.4443 -5.4443 -4.9869 -4.9869 1.1716 1.1716 3.3130 3.3130 3.7286 3.7286 3.7477 3.7477 4.1723 4.1723 4.5797 4.5797 4.5936 4.5936 5.4416 5.4416 5.4777 5.4777 6.1997 6.1997 6.2815 6.2815 6.2971 6.2971 6.5805 6.5805 6.6207 6.6207 6.6705 6.6705 6.8165 6.8165 6.8786 6.8786 6.9817 6.9817 6.9851 6.9851 7.3673 7.3673 7.7333 7.7333 8.2896 8.2896 8.3218 8.3218 9.2464 9.2464 9.2768 9.2768 k = 0.0220-0.0716-0.1278 ( 4239 PWs) bands (ev): -7.2959 -7.2959 -6.4422 -6.4422 -5.4393 -5.4393 -4.9836 -4.9836 1.1790 1.1790 3.3032 3.3032 3.7286 3.7286 3.7476 3.7476 4.1568 4.1568 4.5771 4.5771 4.5913 4.5913 5.4164 5.4164 5.4761 5.4761 6.1746 6.1746 6.2420 6.2420 6.2820 6.2820 6.5950 6.5950 6.6309 6.6309 6.6923 6.6923 6.8271 6.8271 6.8892 6.8892 6.9817 6.9817 6.9875 6.9875 7.3501 7.3501 7.7334 7.7334 8.2913 8.2913 8.3235 8.3235 9.2222 9.2222 9.2721 9.2721 k = 0.0275-0.0895-0.1598 ( 4227 PWs) bands (ev): -7.2872 -7.2872 -6.4355 -6.4355 -5.4329 -5.4329 -4.9793 -4.9793 1.1885 1.1885 3.2904 3.2904 3.7287 3.7287 3.7476 3.7476 4.1369 4.1369 4.5738 4.5738 4.5883 4.5883 5.3857 5.3857 5.4743 5.4743 6.1326 6.1326 6.1981 6.1981 6.2782 6.2782 6.6045 6.6045 6.6385 6.6385 6.7202 6.7202 6.8398 6.8398 6.9023 6.9023 6.9829 6.9829 6.9909 6.9909 7.3293 7.3293 7.7334 7.7334 8.2931 8.2931 8.3260 8.3260 9.1918 9.1918 9.2664 9.2664 k = 0.0330-0.1074-0.1918 ( 4225 PWs) bands (ev): -7.2766 -7.2766 -6.4274 -6.4274 -5.4251 -5.4251 -4.9740 -4.9740 1.2000 1.2000 3.2746 3.2746 3.7289 3.7289 3.7476 3.7476 4.1126 4.1126 4.5697 4.5697 4.5846 4.5846 5.3505 5.3505 5.4720 5.4720 6.0794 6.0794 6.1510 6.1510 6.2819 6.2819 6.6072 6.6072 6.6431 6.6431 6.7531 6.7531 6.8537 6.8537 6.9162 6.9162 6.9861 6.9861 6.9964 6.9964 7.3058 7.3058 7.7335 7.7335 8.2946 8.2946 8.3295 8.3295 9.1560 9.1560 9.2596 9.2596 k = 0.0385-0.1253-0.2237 ( 4225 PWs) bands (ev): -7.2641 -7.2641 -6.4179 -6.4179 -5.4160 -5.4160 -4.9679 -4.9679 1.2135 1.2135 3.2558 3.2558 3.7290 3.7290 3.7477 3.7477 4.0841 4.0841 4.5647 4.5647 4.5800 4.5800 5.3120 5.3120 5.4692 5.4692 6.0193 6.0193 6.1018 6.1018 6.2894 6.2894 6.6027 6.6027 6.6450 6.6450 6.7889 6.7889 6.8684 6.8684 6.9281 6.9281 6.9913 6.9913 7.0065 7.0065 7.2808 7.2808 7.7335 7.7335 8.2956 8.2956 8.3345 8.3345 9.1157 9.1157 9.2515 9.2515 k = 0.0440-0.1432-0.2557 ( 4221 PWs) bands (ev): -7.2497 -7.2497 -6.4070 -6.4070 -5.4054 -5.4054 -4.9608 -4.9608 1.2291 1.2291 3.2340 3.2340 3.7290 3.7290 3.7479 3.7479 4.0515 4.0515 4.5587 4.5587 4.5745 4.5745 5.2711 5.2711 5.4655 5.4655 5.9551 5.9551 6.0512 6.0512 6.2990 6.2990 6.5913 6.5913 6.6445 6.6445 6.8240 6.8240 6.8838 6.8838 6.9371 6.9371 6.9971 6.9971 7.0238 7.0238 7.2561 7.2561 7.7334 7.7334 8.2958 8.2958 8.3410 8.3410 9.0718 9.0718 9.2421 9.2421 k = 0.0496-0.1611-0.2876 ( 4223 PWs) bands (ev): -7.2334 -7.2334 -6.3947 -6.3947 -5.3936 -5.3936 -4.9528 -4.9528 1.2466 1.2466 3.2091 3.2091 3.7286 3.7286 3.7483 3.7483 4.0149 4.0149 4.5515 4.5515 4.5678 4.5678 5.2285 5.2285 5.4609 5.4609 5.8883 5.8883 5.9995 5.9995 6.3098 6.3098 6.5732 6.5732 6.6420 6.6420 6.8532 6.8532 6.8999 6.8999 6.9468 6.9468 7.0033 7.0033 7.0468 7.0468 7.2339 7.2339 7.7332 7.7332 8.2950 8.2950 8.3489 8.3489 9.0252 9.0252 9.2312 9.2312 k = 0.0551-0.1790-0.3196 ( 4219 PWs) bands (ev): -7.2153 -7.2153 -6.3811 -6.3811 -5.3804 -5.3804 -4.9439 -4.9439 1.2661 1.2661 3.1812 3.1812 3.7277 3.7277 3.7489 3.7489 3.9747 3.9747 4.5429 4.5429 4.5598 4.5598 5.1851 5.1851 5.4550 5.4550 5.8204 5.8204 5.9475 5.9475 6.3212 6.3212 6.5486 6.5486 6.6379 6.6379 6.8708 6.8708 6.9154 6.9154 6.9625 6.9625 7.0105 7.0105 7.0729 7.0729 7.2168 7.2168 7.7330 7.7330 8.2931 8.2931 8.3583 8.3583 8.9769 8.9769 9.2190 9.2190 k = 0.0606-0.1969-0.3516 ( 4219 PWs) bands (ev): -7.1954 -7.1954 -6.3661 -6.3661 -5.3659 -5.3659 -4.9342 -4.9342 1.2874 1.2874 3.1504 3.1504 3.7257 3.7257 3.7498 3.7498 3.9313 3.9313 4.5328 4.5328 4.5503 4.5503 5.1413 5.1413 5.4475 5.4475 5.7528 5.7528 5.8953 5.8953 6.3327 6.3327 6.5172 6.5172 6.6326 6.6326 6.8771 6.8771 6.9285 6.9285 6.9825 6.9825 7.0193 7.0193 7.1012 7.1012 7.2082 7.2082 7.7325 7.7325 8.2899 8.2899 8.3690 8.3690 8.9278 8.9278 9.2053 9.2053 k = 0.0661-0.2148-0.3835 ( 4217 PWs) bands (ev): -7.1737 -7.1737 -6.3499 -6.3499 -5.3501 -5.3501 -4.9237 -4.9237 1.3106 1.3106 3.1169 3.1169 3.7221 3.7221 3.7507 3.7507 3.8853 3.8853 4.5208 4.5208 4.5389 4.5389 5.0977 5.0977 5.4375 5.4375 5.6872 5.6872 5.8435 5.8435 6.3440 6.3440 6.4793 6.4793 6.6265 6.6265 6.8763 6.8763 6.9399 6.9399 6.9979 6.9979 7.0304 7.0304 7.1323 7.1323 7.2105 7.2105 7.7320 7.7320 8.2852 8.2852 8.3807 8.3807 8.8789 8.8789 9.1899 9.1899 k = 0.0716-0.2327-0.4155 ( 4221 PWs) bands (ev): -7.1503 -7.1503 -6.3325 -6.3325 -5.3332 -5.3332 -4.9123 -4.9123 1.3355 1.3355 3.0807 3.0807 3.7152 3.7152 3.7514 3.7514 3.8385 3.8385 4.5068 4.5068 4.5253 4.5253 5.0547 5.0547 5.4239 5.4239 5.6257 5.6257 5.7922 5.7922 6.3545 6.3545 6.4353 6.4353 6.6198 6.6198 6.8719 6.8719 6.9501 6.9501 7.0038 7.0038 7.0432 7.0432 7.1670 7.1670 7.2235 7.2235 7.7313 7.7313 8.2787 8.2787 8.3934 8.3934 8.8312 8.8312 9.1722 9.1722 k = 0.0771-0.2506-0.4474 ( 4227 PWs) bands (ev): -7.1251 -7.1251 -6.3138 -6.3138 -5.3150 -5.3150 -4.9002 -4.9002 1.3621 1.3621 3.0420 3.0420 3.7010 3.7010 3.7515 3.7515 3.7952 3.7952 4.4904 4.4904 4.5092 4.5092 5.0126 5.0126 5.4048 5.4048 5.5712 5.5712 5.7419 5.7419 6.3612 6.3612 6.3885 6.3885 6.6129 6.6129 6.8655 6.8655 6.9591 6.9591 7.0025 7.0025 7.0571 7.0571 7.2040 7.2040 7.2446 7.2446 7.7304 7.7304 8.2701 8.2701 8.4065 8.4065 8.7857 8.7857 9.1486 9.1486 k = 0.0826-0.2685-0.4794 ( 4233 PWs) bands (ev): -7.0983 -7.0983 -6.2941 -6.2941 -5.2957 -5.2957 -4.8873 -4.8873 1.3903 1.3903 3.0011 3.0011 3.6715 3.6715 3.7490 3.7490 3.7655 3.7655 4.4712 4.4712 4.4904 4.4904 4.9718 4.9718 5.3777 5.3777 5.5268 5.5268 5.6928 5.6928 6.3252 6.3252 6.3784 6.3784 6.6057 6.6057 6.8582 6.8582 6.9671 6.9671 6.9973 6.9973 7.0721 7.0721 7.2393 7.2393 7.2726 7.2726 7.7291 7.7291 8.2592 8.2592 8.4200 8.4200 8.7431 8.7431 9.1124 9.1124 k = 0.0881-0.2864-0.5114 ( 4227 PWs) bands (ev): -7.0699 -7.0699 -6.2733 -6.2733 -5.2753 -5.2753 -4.8737 -4.8737 1.4201 1.4201 2.9581 2.9581 3.6241 3.6241 3.7393 3.7393 3.7562 3.7562 4.4488 4.4488 4.4690 4.4690 4.9324 4.9324 5.3423 5.3423 5.4938 5.4938 5.6453 5.6453 6.2663 6.2663 6.3861 6.3861 6.5987 6.5987 6.8507 6.8507 6.9738 6.9738 6.9909 6.9909 7.0881 7.0881 7.2696 7.2696 7.3068 7.3068 7.7276 7.7276 8.2455 8.2455 8.4333 8.4333 8.7045 8.7045 9.0719 9.0719 k = 0.0936-0.3043-0.5433 ( 4227 PWs) bands (ev): -7.0398 -7.0398 -6.2514 -6.2514 -5.2538 -5.2538 -4.8594 -4.8594 1.4512 1.4512 2.9132 2.9132 3.5659 3.5659 3.7292 3.7292 3.7533 3.7533 4.4226 4.4226 4.4451 4.4451 4.8948 4.8948 5.3014 5.3014 5.4700 5.4700 5.5994 5.5994 6.2028 6.2028 6.3939 6.3939 6.5916 6.5916 6.8430 6.8430 6.9765 6.9765 6.9879 6.9879 7.1047 7.1047 7.2952 7.2952 7.3443 7.3443 7.7259 7.7259 8.2290 8.2290 8.4461 8.4461 8.6703 8.6703 9.0342 9.0342 k = 0.0991-0.3222-0.5753 ( 4227 PWs) bands (ev): -7.0082 -7.0082 -6.2286 -6.2286 -5.2313 -5.2313 -4.8444 -4.8444 1.4836 1.4836 2.8666 2.8666 3.5020 3.5020 3.7201 3.7201 3.7500 3.7500 4.3922 4.3922 4.4190 4.4190 4.8590 4.8590 5.2590 5.2590 5.4516 5.4516 5.5556 5.5556 6.1366 6.1366 6.4010 6.4010 6.5847 6.5847 6.8355 6.8355 6.9718 6.9718 6.9922 6.9922 7.1214 7.1214 7.3179 7.3179 7.3816 7.3816 7.7238 7.7238 8.2097 8.2097 8.4578 8.4578 8.6410 8.6410 9.0015 9.0015 k = 0.1046-0.3402-0.6072 ( 4235 PWs) bands (ev): -6.9752 -6.9752 -6.2049 -6.2049 -5.2078 -5.2078 -4.8288 -4.8288 1.5171 1.5171 2.8186 2.8186 3.4344 3.4344 3.7108 3.7108 3.7454 3.7454 4.3574 4.3574 4.3909 4.3909 4.8252 4.8252 5.2179 5.2179 5.4360 5.4360 5.5139 5.5139 6.0684 6.0684 6.4073 6.4073 6.5780 6.5780 6.8282 6.8282 6.9653 6.9653 6.9990 6.9990 7.1379 7.1379 7.3383 7.3383 7.4169 7.4169 7.7213 7.7213 8.1876 8.1876 8.4679 8.4679 8.6166 8.6166 8.9746 8.9746 k = 0.1101-0.3581-0.6392 ( 4237 PWs) bands (ev): -6.9407 -6.9407 -6.1804 -6.1804 -5.1835 -5.1835 -4.8126 -4.8126 1.5516 1.5516 2.7693 2.7693 3.3642 3.3642 3.7009 3.7009 3.7390 3.7390 4.3186 4.3186 4.3608 4.3608 4.7933 4.7933 5.1794 5.1794 5.4216 5.4216 5.4750 5.4750 5.9992 5.9992 6.4125 6.4125 6.5717 6.5717 6.8211 6.8211 6.9590 6.9590 7.0064 7.0064 7.1539 7.1539 7.3565 7.3565 7.4493 7.4493 7.7184 7.7184 8.1635 8.1635 8.4760 8.4760 8.5969 8.5969 8.9539 8.9539 k = 0.1156-0.3760-0.6712 ( 4241 PWs) bands (ev): -6.9048 -6.9048 -6.1551 -6.1551 -5.1582 -5.1582 -4.7959 -4.7959 1.5869 1.5869 2.7191 2.7191 3.2920 3.2920 3.6897 3.6897 3.7307 3.7307 4.2764 4.2764 4.3286 4.3286 4.7635 4.7635 5.1438 5.1438 5.4066 5.4066 5.4400 5.4400 5.9297 5.9297 6.4166 6.4166 6.5661 6.5661 6.8144 6.8144 6.9531 6.9531 7.0144 7.0144 7.1691 7.1691 7.3724 7.3724 7.4779 7.4779 7.7150 7.7150 8.1378 8.1378 8.4818 8.4818 8.5814 8.5814 8.9393 8.9393 k = 0.1211-0.3939-0.7031 ( 4249 PWs) bands (ev): -6.8677 -6.8677 -6.1292 -6.1292 -5.1322 -5.1322 -4.7787 -4.7787 1.6227 1.6227 2.6680 2.6680 3.2183 3.2183 3.6771 3.6771 3.7202 3.7202 4.2318 4.2318 4.2944 4.2944 4.7356 4.7356 5.1111 5.1111 5.3864 5.3864 5.4128 5.4128 5.8606 5.8606 6.4191 6.4191 6.5615 6.5615 6.8080 6.8080 6.9477 6.9477 7.0229 7.0229 7.1832 7.1832 7.3861 7.3861 7.5024 7.5024 7.7111 7.7111 8.1114 8.1114 8.4855 8.4855 8.5693 8.5693 8.9300 8.9300 k = 0.1266-0.4118-0.7351 ( 4249 PWs) bands (ev): -6.8293 -6.8293 -6.1027 -6.1027 -5.1055 -5.1055 -4.7610 -4.7610 1.6588 1.6588 2.6165 2.6165 3.1436 3.1436 3.6627 3.6627 3.7075 3.7075 4.1854 4.1854 4.2581 4.2581 4.7095 4.7095 5.0809 5.0809 5.3588 5.3588 5.3961 5.3961 5.7924 5.7924 6.4196 6.4196 6.5586 6.5586 6.8020 6.8020 6.9429 6.9429 7.0320 7.0320 7.1960 7.1960 7.3975 7.3975 7.5225 7.5225 7.7066 7.7066 8.0849 8.0849 8.4872 8.4872 8.5600 8.5600 8.9238 8.9238 k = 0.1321-0.4297-0.7670 ( 4247 PWs) bands (ev): -6.7898 -6.7898 -6.0758 -6.0758 -5.0781 -5.0781 -4.7429 -4.7429 1.6948 1.6948 2.5646 2.5646 3.0686 3.0686 3.6463 3.6463 3.6925 3.6925 4.1382 4.1382 4.2199 4.2199 4.6849 4.6849 5.0525 5.0525 5.3292 5.3292 5.3839 5.3839 5.7256 5.7256 6.4177 6.4177 6.5579 6.5579 6.7965 6.7965 6.9387 6.9387 7.0416 7.0416 7.2073 7.2073 7.4066 7.4066 7.5379 7.5379 7.7016 7.7016 8.0588 8.0588 8.4873 8.4873 8.5526 8.5526 8.9179 8.9179 k = 0.1376-0.4476-0.7990 ( 4245 PWs) bands (ev): -6.7492 -6.7492 -6.0484 -6.0484 -5.0501 -5.0501 -4.7245 -4.7245 1.7304 1.7304 2.5126 2.5126 2.9937 2.9937 3.6277 3.6277 3.6753 3.6753 4.0912 4.0912 4.1799 4.1799 4.6614 4.6614 5.0256 5.0256 5.3005 5.3005 5.3733 5.3733 5.6609 5.6609 6.4132 6.4132 6.5597 6.5597 6.7913 6.7913 6.9350 6.9350 7.0517 7.0517 7.2171 7.2171 7.4134 7.4134 7.5487 7.5487 7.6958 7.6958 8.0336 8.0336 8.4864 8.4864 8.5462 8.5462 8.9100 8.9100 k = 0.1432-0.4655-0.8310 ( 4247 PWs) bands (ev): -6.7076 -6.7076 -6.0207 -6.0207 -5.0216 -5.0216 -4.7057 -4.7057 1.7650 1.7650 2.4607 2.4607 2.9197 2.9197 3.6066 3.6066 3.6559 3.6559 4.0452 4.0452 4.1383 4.1383 4.6387 4.6387 4.9996 4.9996 5.2735 5.2735 5.3636 5.3636 5.5985 5.5985 6.4060 6.4060 6.5643 6.5643 6.7865 6.7865 6.9320 6.9320 7.0624 7.0624 7.2252 7.2252 7.4181 7.4181 7.5551 7.5551 7.6892 7.6892 8.0096 8.0096 8.4845 8.4845 8.5402 8.5402 8.9003 8.9003 k = 0.1487-0.4834-0.8629 ( 4247 PWs) bands (ev): -6.6651 -6.6651 -5.9929 -5.9929 -4.9926 -4.9926 -4.6866 -4.6866 1.7981 1.7981 2.4092 2.4092 2.8474 2.8474 3.5827 3.5827 3.6344 3.6344 4.0009 4.0009 4.0953 4.0953 4.6162 4.6162 4.9740 4.9740 5.2481 5.2481 5.3543 5.3543 5.5390 5.5390 6.3966 6.3966 6.5714 6.5714 6.7821 6.7821 6.9296 6.9296 7.0734 7.0734 7.2316 7.2316 7.4206 7.4206 7.5572 7.5572 7.6818 7.6818 7.9870 7.9870 8.4817 8.4817 8.5336 8.5336 8.8904 8.8904 k = 0.1542-0.5013-0.8949 ( 4255 PWs) bands (ev): -6.6218 -6.6218 -5.9649 -5.9649 -4.9633 -4.9633 -4.6673 -4.6673 1.8286 1.8286 2.3583 2.3583 2.7777 2.7777 3.5558 3.5558 3.6111 3.6111 3.9591 3.9591 4.0513 4.0513 4.5934 4.5934 4.9487 4.9487 5.2245 5.2245 5.3451 5.3451 5.4828 5.4828 6.3853 6.3853 6.5807 6.5807 6.7779 6.7779 6.9279 6.9279 7.0849 7.0849 7.2363 7.2363 7.4212 7.4212 7.5555 7.5555 7.6734 7.6734 7.9659 7.9659 8.4779 8.4779 8.5257 8.5257 8.8818 8.8818 k = 0.1597-0.5192-0.9268 ( 4261 PWs) bands (ev): -6.5779 -6.5779 -5.9370 -5.9370 -4.9336 -4.9336 -4.6478 -4.6478 1.8557 1.8557 2.3083 2.3083 2.7119 2.7119 3.5258 3.5258 3.5861 3.5861 3.9205 3.9205 4.0064 4.0064 4.5699 4.5699 4.9234 4.9234 5.2024 5.2024 5.3356 5.3356 5.4305 5.4305 6.3729 6.3729 6.5918 6.5918 6.7740 6.7740 6.9270 6.9270 7.0967 7.0967 7.2394 7.2394 7.4200 7.4200 7.5505 7.5505 7.6640 7.6640 7.9463 7.9463 8.4728 8.4728 8.5159 8.5159 8.8753 8.8753 k = 0.1652-0.5371-0.9588 ( 4263 PWs) bands (ev): -6.5333 -6.5333 -5.9092 -5.9092 -4.9038 -4.9038 -4.6282 -4.6282 1.8780 1.8780 2.2592 2.2592 2.6514 2.6514 3.4927 3.4927 3.5596 3.5596 3.8853 3.8853 3.9609 3.9609 4.5451 4.5451 4.8979 4.8979 5.1814 5.1814 5.3248 5.3248 5.3833 5.3833 6.3599 6.3599 6.6045 6.6045 6.7704 6.7704 6.9270 6.9270 7.1088 7.1088 7.2411 7.2411 7.4172 7.4172 7.5427 7.5427 7.6534 7.6534 7.9281 7.9281 8.4659 8.4659 8.5039 8.5039 8.8715 8.8715 k = 0.1707-0.5550-0.9908 ( 4263 PWs) bands (ev): -6.4882 -6.4882 -5.8816 -5.8816 -4.8738 -4.8738 -4.6086 -4.6086 1.8938 1.8938 2.2115 2.2115 2.5979 2.5979 3.4567 3.4567 3.5317 3.5317 3.8538 3.8538 3.9151 3.9151 4.5190 4.5190 4.8722 4.8722 5.1609 5.1609 5.3095 5.3095 5.3448 5.3448 6.3468 6.3468 6.6182 6.6182 6.7669 6.7669 6.9279 6.9279 7.1211 7.1211 7.2414 7.2414 7.4130 7.4130 7.5325 7.5325 7.6417 7.6417 7.9113 7.9113 8.4569 8.4569 8.4897 8.4897 8.8705 8.8705 k = 0.1762-0.5729-1.0227 ( 4265 PWs) bands (ev): -6.4428 -6.4428 -5.8544 -5.8544 -4.8438 -4.8438 -4.5889 -4.5889 1.9014 1.9014 2.1652 2.1652 2.5532 2.5532 3.4182 3.4182 3.5025 3.5025 3.8261 3.8261 3.8694 3.8694 4.4913 4.4913 4.8461 4.8461 5.1396 5.1396 5.2845 5.2845 5.3211 5.3211 6.3341 6.3341 6.6327 6.6327 6.7637 6.7637 6.9297 6.9297 7.1335 7.1335 7.2405 7.2405 7.4077 7.4077 7.5204 7.5204 7.6287 7.6287 7.8958 7.8958 8.4456 8.4456 8.4738 8.4738 8.8724 8.8724 k = 0.1817-0.5908-1.0547 ( 4263 PWs) bands (ev): -6.3972 -6.3972 -5.8276 -5.8276 -4.8138 -4.8138 -4.5693 -4.5693 1.8992 1.8992 2.1206 2.1206 2.5188 2.5188 3.3774 3.3774 3.4723 3.4723 3.8020 3.8020 3.8240 3.8240 4.4622 4.4622 4.8197 4.8197 5.1158 5.1158 5.2566 5.2566 5.3064 5.3064 6.3224 6.3224 6.6475 6.6475 6.7607 6.7607 6.9325 6.9325 7.1460 7.1460 7.2387 7.2387 7.4014 7.4014 7.5069 7.5069 7.6146 7.6146 7.8814 7.8814 8.4318 8.4318 8.4570 8.4570 8.8768 8.8768 k = 0.1872-0.6087-1.0867 ( 4265 PWs) bands (ev): -6.3514 -6.3514 -5.8014 -5.8014 -4.7840 -4.7840 -4.5498 -4.5498 1.8865 1.8865 2.0780 2.0780 2.4954 2.4954 3.3351 3.3351 3.4410 3.4410 3.7782 3.7782 3.7823 3.7823 4.4318 4.4318 4.7930 4.7930 5.0884 5.0884 5.2337 5.2337 5.2934 5.2934 6.3118 6.3118 6.6623 6.6623 6.7581 6.7581 6.9362 6.9362 7.1584 7.1584 7.2362 7.2362 7.3943 7.3943 7.4923 7.4923 7.5994 7.5994 7.8681 7.8681 8.4157 8.4157 8.4399 8.4399 8.8831 8.8831 k = 0.1927-0.6266-1.1186 ( 4273 PWs) bands (ev): -6.3056 -6.3056 -5.7759 -5.7759 -4.7543 -4.7543 -4.5305 -4.5305 1.8638 1.8638 2.0374 2.0374 2.4826 2.4826 3.2917 3.2917 3.4086 3.4086 3.7348 3.7348 3.7645 3.7645 4.4004 4.4004 4.7660 4.7660 5.0571 5.0571 5.2172 5.2172 5.2801 5.2801 6.3029 6.3029 6.6764 6.6764 6.7563 6.7563 6.9408 6.9408 7.1705 7.1705 7.2334 7.2334 7.3867 7.3867 7.4770 7.4770 7.5831 7.5831 7.8557 7.8557 8.3980 8.3980 8.4227 8.4227 8.8908 8.8908 k = 0.1982-0.6445-1.1506 ( 4273 PWs) bands (ev): -6.2600 -6.2600 -5.7511 -5.7511 -4.7250 -4.7250 -4.5114 -4.5114 1.8326 1.8326 1.9991 1.9991 2.4786 2.4786 3.2478 3.2478 3.3751 3.3751 3.6919 3.6919 3.7506 3.7506 4.3684 4.3684 4.7387 4.7387 5.0227 5.0227 5.2064 5.2064 5.2660 5.2660 6.2958 6.2958 6.6890 6.6890 6.7559 6.7559 6.9463 6.9463 7.1818 7.1818 7.2311 7.2311 7.3785 7.3785 7.4615 7.4615 7.5659 7.5659 7.8442 7.8442 8.3795 8.3795 8.4054 8.4054 8.8992 8.8992 k = 0.2037-0.6624-1.1825 ( 4271 PWs) bands (ev): -6.2147 -6.2147 -5.7272 -5.7272 -4.6960 -4.6960 -4.4925 -4.4925 1.7951 1.7951 1.9634 1.9634 2.4810 2.4810 3.2041 3.2041 3.3406 3.3406 3.6505 3.6505 3.7397 3.7397 4.3361 4.3361 4.7111 4.7111 4.9863 4.9863 5.1998 5.1998 5.2510 5.2510 6.2907 6.2907 6.6991 6.6991 6.7577 6.7577 6.9525 6.9525 7.1910 7.1910 7.2305 7.2305 7.3697 7.3697 7.4462 7.4462 7.5479 7.5479 7.8335 7.8335 8.3610 8.3610 8.3880 8.3880 8.9077 8.9077 k = 0.2092-0.6803-1.2145 ( 4265 PWs) bands (ev): -6.1698 -6.1698 -5.7043 -5.7043 -4.6675 -4.6675 -4.4741 -4.4741 1.7538 1.7538 1.9303 1.9303 2.4872 2.4872 3.1610 3.1610 3.3049 3.3049 3.6107 3.6107 3.7318 3.7318 4.3041 4.3041 4.6832 4.6832 4.9488 4.9488 5.1959 5.1959 5.2353 5.2353 6.2877 6.2877 6.7056 6.7056 6.7628 6.7628 6.9592 6.9592 7.1959 7.1959 7.2342 7.2342 7.3601 7.3601 7.4318 7.4318 7.5293 7.5293 7.8235 7.8235 8.3429 8.3429 8.3706 8.3706 8.9155 8.9155 k = 0.2147-0.6982-1.2465 ( 4263 PWs) bands (ev): -6.1255 -6.1255 -5.6825 -5.6825 -4.6395 -4.6395 -4.4561 -4.4561 1.7104 1.7104 1.9000 1.9000 2.4951 2.4951 3.1193 3.1193 3.2680 3.2680 3.5728 3.5728 3.7267 3.7267 4.2726 4.2726 4.6549 4.6549 4.9106 4.9106 5.1935 5.1935 5.2192 5.2192 6.2870 6.2870 6.7085 6.7085 6.7709 6.7709 6.9662 6.9662 7.1958 7.1958 7.2429 7.2429 7.3494 7.3494 7.4190 7.4190 7.5103 7.5103 7.8143 7.8143 8.3253 8.3253 8.3534 8.3534 8.9220 8.9220 k = 0.2202-0.7161-1.2784 ( 4275 PWs) bands (ev): -6.0820 -6.0820 -5.6618 -5.6618 -4.6122 -4.6122 -4.4386 -4.4386 1.6666 1.6666 1.8727 1.8727 2.5026 2.5026 3.0798 3.0798 3.2299 3.2299 3.5370 3.5370 3.7242 3.7242 4.2419 4.2419 4.6261 4.6261 4.8721 4.8721 5.1903 5.1903 5.2047 5.2047 6.2884 6.2884 6.7089 6.7089 6.7806 6.7806 6.9733 6.9733 7.1923 7.1923 7.2551 7.2551 7.3373 7.3373 7.4082 7.4082 7.4910 7.4910 7.8057 7.8057 8.3080 8.3080 8.3370 8.3370 8.9264 8.9264 k = 0.2257-0.7340-1.3104 ( 4277 PWs) bands (ev): -6.0393 -6.0393 -5.6423 -5.6423 -4.5855 -4.5855 -4.4216 -4.4216 1.6237 1.6237 1.8485 1.8485 2.5078 2.5078 3.0433 3.0433 3.1906 3.1906 3.5034 3.5034 3.7242 3.7242 4.2125 4.2125 4.5969 4.5969 4.8335 4.8335 5.1796 5.1796 5.1983 5.1983 6.2920 6.2920 6.7082 6.7082 6.7909 6.7909 6.9803 6.9803 7.1872 7.1872 7.2691 7.2691 7.3237 7.3237 7.4000 7.4000 7.4717 7.4717 7.7980 7.7980 8.2906 8.2906 8.3219 8.3219 8.9284 8.9284 k = 0.2312-0.7519-1.3423 ( 4277 PWs) bands (ev): -5.9976 -5.9976 -5.6242 -5.6242 -4.5597 -4.5597 -4.4053 -4.4053 1.5824 1.5824 1.8276 1.8276 2.5093 2.5093 3.0109 3.0109 3.1501 3.1501 3.4720 3.4720 3.7264 3.7264 4.1847 4.1847 4.5671 4.5671 4.7950 4.7950 5.1640 5.1640 5.1975 5.1975 6.2975 6.2975 6.7070 6.7070 6.8007 6.8007 6.9870 6.9870 7.1811 7.1811 7.2843 7.2843 7.3090 7.3090 7.3941 7.3941 7.4530 7.4530 7.7911 7.7911 8.2727 8.2727 8.3087 8.3087 8.9274 8.9274 k = 0.2368-0.7698-1.3743 ( 4281 PWs) bands (ev): -5.9571 -5.9571 -5.6074 -5.6074 -4.5347 -4.5347 -4.3897 -4.3897 1.5436 1.5436 1.8101 1.8101 2.5057 2.5057 2.9836 2.9836 3.1086 3.1086 3.4429 3.4429 3.7306 3.7306 4.1585 4.1585 4.5365 4.5365 4.7566 4.7566 5.1481 5.1481 5.1977 5.1977 6.3050 6.3050 6.7058 6.7058 6.8096 6.8096 6.9933 6.9933 7.1744 7.1744 7.2917 7.2917 7.3020 7.3020 7.3897 7.3897 7.4355 7.4355 7.7850 7.7850 8.2541 8.2541 8.2976 8.2976 8.9230 8.9230 k = 0.2423-0.7877-1.4063 ( 4271 PWs) bands (ev): -5.9179 -5.9179 -5.5920 -5.5920 -4.5105 -4.5105 -4.3749 -4.3749 1.5077 1.5077 1.7960 1.7960 2.4958 2.4958 2.9626 2.9626 3.0660 3.0660 3.4160 3.4160 3.7365 3.7365 4.1343 4.1343 4.5053 4.5053 4.7186 4.7186 5.1331 5.1331 5.1979 5.1979 6.3141 6.3141 6.7050 6.7050 6.8172 6.8172 6.9990 6.9990 7.1673 7.1673 7.2766 7.2766 7.3181 7.3181 7.3850 7.3850 7.4213 7.4213 7.7799 7.7799 8.2348 8.2348 8.2886 8.2886 8.9151 8.9151 k = 0.2478-0.8056-1.4382 ( 4267 PWs) bands (ev): -5.8801 -5.8801 -5.5780 -5.5780 -4.4874 -4.4874 -4.3609 -4.3609 1.4752 1.4752 1.7855 1.7855 2.4791 2.4791 2.9482 2.9482 3.0227 3.0227 3.3912 3.3912 3.7437 3.7437 4.1122 4.1122 4.4731 4.4731 4.6809 4.6809 5.1195 5.1195 5.1979 5.1979 6.3246 6.3246 6.7048 6.7048 6.8233 6.8233 7.0039 7.0039 7.1597 7.1597 7.2608 7.2608 7.3353 7.3353 7.3765 7.3765 7.4136 7.4136 7.7758 7.7758 8.2149 8.2149 8.2816 8.2816 8.9038 8.9038 k = 0.2533-0.8235-1.4702 ( 4261 PWs) bands (ev): -5.8439 -5.8439 -5.5655 -5.5655 -4.4653 -4.4653 -4.3479 -4.3479 1.4465 1.4465 1.7786 1.7786 2.4557 2.4557 2.9405 2.9405 2.9788 2.9788 3.3685 3.3685 3.7519 3.7519 4.0924 4.0924 4.4401 4.4401 4.6437 4.6437 5.1079 5.1079 5.1976 5.1976 6.3365 6.3365 6.7052 6.7052 6.8277 6.8277 7.0079 7.0079 7.1518 7.1518 7.2454 7.2454 7.3515 7.3515 7.3646 7.3646 7.4135 7.4135 7.7727 7.7727 8.1946 8.1946 8.2763 8.2763 8.8892 8.8892 k = 0.2588-0.8414-1.5021 ( 4259 PWs) bands (ev): -5.8094 -5.8094 -5.5545 -5.5545 -4.4443 -4.4443 -4.3357 -4.3357 1.4217 1.4217 1.7753 1.7753 2.4262 2.4262 2.9333 2.9333 2.9399 2.9399 3.3475 3.3475 3.7608 3.7608 4.0749 4.0749 4.4061 4.4061 4.6071 4.6071 5.0985 5.0985 5.1967 5.1967 6.3493 6.3493 6.7063 6.7063 6.8304 6.8304 7.0111 7.0111 7.1435 7.1435 7.2309 7.2309 7.3459 7.3459 7.3720 7.3720 7.4185 7.4185 7.7707 7.7707 8.1740 8.1740 8.2726 8.2726 8.8714 8.8714 k = 0.2643-0.8593-1.5341 ( 4259 PWs) bands (ev): -5.7767 -5.7767 -5.5450 -5.5450 -4.4244 -4.4244 -4.3247 -4.3247 1.4011 1.4011 1.7755 1.7755 2.3918 2.3918 2.8894 2.8894 2.9430 2.9430 3.3282 3.3282 3.7702 3.7702 4.0598 4.0598 4.3714 4.3714 4.5711 4.5711 5.0914 5.0914 5.1954 5.1954 6.3630 6.3630 6.7083 6.7083 6.8315 6.8315 7.0132 7.0132 7.1350 7.1350 7.2174 7.2174 7.3304 7.3304 7.3882 7.3882 7.4271 7.4271 7.7699 7.7699 8.1531 8.1531 8.2704 8.2704 8.8510 8.8510 k = 0.2698-0.8772-1.5661 ( 4259 PWs) bands (ev): -5.7459 -5.7459 -5.5369 -5.5369 -4.4058 -4.4058 -4.3147 -4.3147 1.3848 1.3848 1.7794 1.7794 2.3536 2.3536 2.8446 2.8446 2.9511 2.9511 3.3105 3.3105 3.7797 3.7797 4.0472 4.0472 4.3360 4.3360 4.5358 4.5358 5.0867 5.0867 5.1936 5.1936 6.3773 6.3773 6.7109 6.7109 6.8308 6.8308 7.0142 7.0142 7.1265 7.1265 7.2053 7.2053 7.3148 7.3148 7.4032 7.4032 7.4389 7.4389 7.7704 7.7704 8.1321 8.1321 8.2697 8.2697 8.8283 8.8283 k = 0.2753-0.8951-1.5980 ( 4267 PWs) bands (ev): -5.7170 -5.7170 -5.5304 -5.5304 -4.3883 -4.3883 -4.3058 -4.3058 1.3728 1.3728 1.7866 1.7866 2.3126 2.3126 2.8001 2.8001 2.9627 2.9627 3.2942 3.2942 3.7892 3.7892 4.0371 4.0371 4.3001 4.3001 4.5013 4.5013 5.0845 5.0845 5.1913 5.1913 6.3918 6.3918 6.7143 6.7143 6.8287 6.8287 7.0140 7.0140 7.1180 7.1180 7.1945 7.1945 7.2997 7.2997 7.4165 7.4165 7.4532 7.4532 7.7723 7.7723 8.1109 8.1109 8.2705 8.2705 8.8037 8.8037 k = 0.2808-0.9130-1.6300 ( 4273 PWs) bands (ev): -5.6902 -5.6902 -5.5252 -5.5252 -4.3721 -4.3721 -4.2980 -4.2980 1.3652 1.3652 1.7972 1.7972 2.2699 2.2699 2.7559 2.7559 2.9769 2.9769 3.2793 3.2793 3.7986 3.7986 4.0295 4.0295 4.2642 4.2642 4.4677 4.4677 5.0845 5.0845 5.1887 5.1887 6.4065 6.4065 6.7184 6.7184 6.8252 6.8252 7.0126 7.0126 7.1101 7.1101 7.1853 7.1853 7.2855 7.2855 7.4284 7.4284 7.4691 7.4691 7.7756 7.7756 8.0897 8.0897 8.2729 8.2729 8.7777 8.7777 k = 0.2863-0.9309-1.6619 ( 4275 PWs) bands (ev): -5.6655 -5.6655 -5.5215 -5.5215 -4.3572 -4.3572 -4.2914 -4.2914 1.3618 1.3618 1.8109 1.8109 2.2263 2.2263 2.7125 2.7125 2.9932 2.9932 3.2654 3.2654 3.8077 3.8077 4.0243 4.0243 4.2286 4.2286 4.4351 4.4351 5.0866 5.0866 5.1858 5.1858 6.4211 6.4211 6.7231 6.7231 6.8206 6.8206 7.0101 7.0101 7.1030 7.1030 7.1775 7.1775 7.2722 7.2722 7.4393 7.4393 7.4854 7.4854 7.7802 7.7802 8.0684 8.0684 8.2769 8.2769 8.7508 8.7508 k = 0.2918-0.9488-1.6939 ( 4287 PWs) bands (ev): -5.6429 -5.6429 -5.5192 -5.5192 -4.3436 -4.3436 -4.2860 -4.2860 1.3624 1.3624 1.8273 1.8273 2.1827 2.1827 2.6701 2.6701 3.0107 3.0107 3.2527 3.2527 3.8167 3.8167 4.0216 4.0216 4.1938 4.1938 4.4036 4.4036 5.0905 5.0905 5.1828 5.1828 6.4352 6.4352 6.7282 6.7282 6.8151 6.8151 7.0063 7.0063 7.0967 7.0967 7.1710 7.1710 7.2598 7.2598 7.4494 7.4494 7.5013 7.5013 7.7863 7.7863 8.0472 8.0472 8.2828 8.2828 8.7234 8.7234 k = 0.2973-0.9667-1.7259 ( 4287 PWs) bands (ev): -5.6224 -5.6224 -5.5181 -5.5181 -4.3312 -4.3312 -4.2818 -4.2818 1.3667 1.3667 1.8461 1.8461 2.1398 2.1398 2.6293 2.6293 3.0290 3.0290 3.2409 3.2409 3.8255 3.8255 4.0211 4.0211 4.1603 4.1603 4.3734 4.3734 5.0958 5.0958 5.1796 5.1796 6.4486 6.4486 6.7338 6.7338 6.8089 6.8089 7.0017 7.0017 7.0917 7.0917 7.1659 7.1659 7.2486 7.2486 7.4588 7.4588 7.5162 7.5162 7.7937 7.7937 8.0261 8.0261 8.2906 8.2906 8.6960 8.6960 k = 0.3028-0.9846-1.7578 ( 4285 PWs) bands (ev): -5.6041 -5.6041 -5.5184 -5.5184 -4.3203 -4.3203 -4.2787 -4.2787 1.3740 1.3740 1.8666 1.8666 2.0986 2.0986 2.5905 2.5905 3.0471 3.0471 3.2300 3.2300 3.8342 3.8342 4.0226 4.0226 4.1288 4.1288 4.3445 4.3445 5.1022 5.1022 5.1766 5.1766 6.4611 6.4611 6.7397 6.7397 6.8023 6.8023 6.9966 6.9966 7.0877 7.0877 7.1618 7.1618 7.2386 7.2386 7.4674 7.4674 7.5298 7.5298 7.8022 7.8022 8.0053 8.0053 8.3007 8.3007 8.6689 8.6689 k = 0.3083-1.0025-1.7898 ( 4293 PWs) bands (ev): -5.5879 -5.5879 -5.5198 -5.5198 -4.3106 -4.3106 -4.2768 -4.2768 1.3838 1.3838 1.8881 1.8881 2.0601 2.0601 2.5546 2.5546 3.0646 3.0646 3.2199 3.2199 3.8431 3.8431 4.0258 4.0258 4.1000 4.1000 4.3172 4.3172 5.1094 5.1094 5.1736 5.1736 6.4722 6.4722 6.7456 6.7456 6.7956 6.7956 6.9913 6.9913 7.0845 7.0845 7.1587 7.1587 7.2298 7.2298 7.4751 7.4751 7.5418 7.5418 7.8112 7.8112 7.9849 7.9849 8.3131 8.3131 8.6427 8.6427 k = 0.3138-1.0205-1.8217 ( 4291 PWs) bands (ev): -5.5738 -5.5738 -5.5223 -5.5223 -4.3022 -4.3022 -4.2761 -4.2761 1.3948 1.3948 1.9094 1.9094 2.0257 2.0257 2.5225 2.5225 3.0805 3.0805 3.2105 3.2105 3.8521 3.8521 4.0302 4.0302 4.0749 4.0749 4.2919 4.2919 5.1169 5.1169 5.1709 5.1709 6.4816 6.4816 6.7515 6.7515 6.7890 6.7890 6.9865 6.9865 7.0820 7.0820 7.1563 7.1563 7.2226 7.2226 7.4817 7.4817 7.5521 7.5521 7.8206 7.8206 7.9653 7.9653 8.3281 8.3281 8.6177 8.6177 k = 0.3193-1.0384-1.8537 ( 4289 PWs) bands (ev): -5.5617 -5.5617 -5.5259 -5.5259 -4.2951 -4.2951 -4.2764 -4.2764 1.4056 1.4056 1.9292 1.9292 1.9968 1.9968 2.4955 2.4955 3.0941 3.0941 3.2019 3.2019 3.8614 3.8614 4.0345 4.0345 4.0552 4.0552 4.2690 4.2690 5.1246 5.1246 5.1684 5.1684 6.4892 6.4892 6.7571 6.7571 6.7829 6.7829 6.9824 6.9824 7.0801 7.0801 7.1544 7.1544 7.2170 7.2170 7.4872 7.4872 7.5605 7.5605 7.8295 7.8295 7.9467 7.9467 8.3459 8.3459 8.5944 8.5944 k = 0.3249-1.0563-1.8857 ( 4289 PWs) bands (ev): -5.5517 -5.5517 -5.5303 -5.5303 -4.2894 -4.2894 -4.2777 -4.2777 1.4145 1.4145 1.9453 1.9453 1.9756 1.9756 2.4752 2.4752 3.1046 3.1046 3.1939 3.1939 3.8705 3.8705 4.0326 4.0326 4.0474 4.0474 4.2492 4.2492 5.1321 5.1321 5.1664 5.1664 6.4944 6.4944 6.7625 6.7625 6.7775 6.7775 6.9795 6.9795 7.0784 7.0784 7.1529 7.1529 7.2132 7.2132 7.4912 7.4912 7.5669 7.5669 7.8374 7.8374 7.9299 7.9299 8.3664 8.3664 8.5731 8.5731 k = 0.3304-1.0742-1.9176 ( 4287 PWs) bands (ev): -5.5441 -5.5441 -5.5353 -5.5353 -4.2851 -4.2851 -4.2797 -4.2797 1.4192 1.4192 1.9546 1.9546 1.9657 1.9657 2.4634 2.4634 3.1114 3.1114 3.1865 3.1865 3.8790 3.8790 4.0263 4.0263 4.0498 4.0498 4.2336 4.2336 5.1391 5.1391 5.1649 5.1649 6.4971 6.4971 6.7673 6.7673 6.7731 6.7731 6.9780 6.9780 7.0769 7.0769 7.1515 7.1515 7.2114 7.2114 7.4939 7.4939 7.5712 7.5712 7.8430 7.8430 7.9159 7.9159 8.3897 8.3897 8.5544 8.5544 k = 0.3359-1.0921-1.9496 ( 4285 PWs) bands (ev): -5.5435 -5.5435 -5.5357 -5.5357 -4.2849 -4.2849 -4.2799 -4.2799 1.4180 1.4180 1.9570 1.9570 1.9671 1.9671 2.4616 2.4616 3.1141 3.1141 3.1798 3.1798 3.8859 3.8859 4.0264 4.0264 4.0517 4.0517 4.2235 4.2235 5.1453 5.1453 5.1640 5.1640 6.4971 6.4971 6.7682 6.7682 6.7727 6.7727 6.9783 6.9783 7.0755 7.0755 7.1501 7.1501 7.2116 7.2116 7.4951 7.4951 7.5733 7.5733 7.8451 7.8451 7.9062 7.9062 8.4154 8.4154 8.5384 8.5384 k = 0.6641-1.0169-1.9055 ( 4285 PWs) bands (ev): -5.5435 -5.5435 -5.5357 -5.5357 -4.2849 -4.2849 -4.2799 -4.2799 1.4180 1.4180 1.9570 1.9570 1.9671 1.9671 2.4616 2.4616 3.1141 3.1141 3.1798 3.1798 3.8859 3.8859 4.0264 4.0264 4.0517 4.0517 4.2235 4.2235 5.1453 5.1453 5.1640 5.1640 6.4971 6.4971 6.7682 6.7682 6.7727 6.7727 6.9783 6.9783 7.0755 7.0755 7.1501 7.1501 7.2116 7.2116 7.4951 7.4951 7.5733 7.5733 7.8451 7.8451 7.9062 7.9062 8.4154 8.4154 8.5384 8.5384 k = 0.6587-0.9805-1.9055 ( 4291 PWs) bands (ev): -5.5499 -5.5499 -5.5317 -5.5317 -4.2886 -4.2886 -4.2780 -4.2780 1.4099 1.4099 1.9576 1.9576 1.9747 1.9747 2.4703 2.4703 3.1125 3.1125 3.1737 3.1737 3.8903 3.8903 4.0347 4.0347 4.0510 4.0510 4.2202 4.2202 5.1504 5.1504 5.1640 5.1640 6.4945 6.4945 6.7652 6.7652 6.7767 6.7767 6.9803 6.9803 7.0742 7.0742 7.1488 7.1488 7.2137 7.2137 7.4948 7.4948 7.5730 7.5730 7.8426 7.8426 7.9022 7.9022 8.4430 8.4430 8.5257 8.5257 k = 0.6532-0.9441-1.9055 ( 4289 PWs) bands (ev): -5.5574 -5.5574 -5.5287 -5.5287 -4.2936 -4.2936 -4.2768 -4.2768 1.3948 1.3948 1.9482 1.9482 1.9968 1.9968 2.4892 2.4892 3.1067 3.1067 3.1682 3.1682 3.8925 3.8925 4.0405 4.0405 4.0577 4.0577 4.2241 4.2241 5.1540 5.1540 5.1651 5.1651 6.4892 6.4892 6.7623 6.7623 6.7806 6.7806 6.9841 6.9841 7.0731 7.0731 7.1476 7.1476 7.2175 7.2175 7.4929 7.4929 7.5702 7.5702 7.8364 7.8364 7.9030 7.9030 8.4720 8.4720 8.5170 8.5170 k = 0.6477-0.9077-1.9055 ( 4297 PWs) bands (ev): -5.5655 -5.5655 -5.5271 -5.5271 -4.2994 -4.2994 -4.2765 -4.2765 1.3736 1.3736 1.9315 1.9315 2.0306 2.0306 2.5167 2.5167 3.0972 3.0972 3.1635 3.1635 3.8931 3.8931 4.0322 4.0322 4.0829 4.0829 4.2345 4.2345 5.1561 5.1561 5.1673 5.1673 6.4814 6.4814 6.7593 6.7593 6.7845 6.7845 6.9896 6.9896 7.0722 7.0722 7.1466 7.1466 7.2228 7.2228 7.4896 7.4896 7.5648 7.5648 7.8290 7.8290 7.9069 7.9069 8.4979 8.4979 8.5162 8.5162 k = 0.6423-0.8713-1.9055 ( 4293 PWs) bands (ev): -5.5742 -5.5742 -5.5269 -5.5269 -4.3059 -4.3059 -4.2771 -4.2771 1.3475 1.3475 1.9096 1.9096 2.0738 2.0738 2.5513 2.5513 3.0847 3.0847 3.1595 3.1595 3.8932 3.8932 4.0198 4.0198 4.1159 4.1159 4.2502 4.2502 5.1574 5.1574 5.1698 5.1698 6.4715 6.4715 6.7562 6.7562 6.7882 6.7882 6.9966 6.9966 7.0717 7.0717 7.1460 7.1460 7.2294 7.2294 7.4850 7.4850 7.5570 7.5570 7.8216 7.8216 7.9124 7.9124 8.5047 8.5047 8.5392 8.5392 k = 0.6368-0.8349-1.9055 ( 4291 PWs) bands (ev): -5.5833 -5.5833 -5.5278 -5.5278 -4.3130 -4.3130 -4.2784 -4.2784 1.3180 1.3180 1.8839 1.8839 2.1245 2.1245 2.5910 2.5910 3.0701 3.0701 3.1564 3.1564 3.8931 3.8931 4.0057 4.0057 4.1546 4.1546 4.2702 4.2702 5.1585 5.1585 5.1721 5.1721 6.4595 6.4595 6.7528 6.7528 6.7918 6.7918 7.0049 7.0049 7.0718 7.0718 7.1458 7.1458 7.2370 7.2370 7.4789 7.4789 7.5469 7.5469 7.8152 7.8152 7.9190 7.9190 8.5079 8.5079 8.5700 8.5700 k = 0.6313-0.7985-1.9055 ( 4291 PWs) bands (ev): -5.5927 -5.5927 -5.5299 -5.5299 -4.3206 -4.3206 -4.2806 -4.2806 1.2862 1.2862 1.8559 1.8559 2.1809 2.1809 2.6342 2.6342 3.0544 3.0544 3.1544 3.1544 3.8933 3.8933 3.9906 3.9906 4.1978 4.1978 4.2934 4.2934 5.1596 5.1596 5.1739 5.1739 6.4456 6.4456 6.7490 6.7490 6.7951 6.7951 7.0142 7.0142 7.0727 7.0727 7.1460 7.1460 7.2454 7.2454 7.4715 7.4715 7.5347 7.5347 7.8098 7.8098 7.9266 7.9266 8.5146 8.5146 8.6011 8.6011 k = 0.6258-0.7621-1.9055 ( 4283 PWs) bands (ev): -5.6023 -5.6023 -5.5329 -5.5329 -4.3287 -4.3287 -4.2834 -4.2834 1.2530 1.2530 1.8264 1.8264 2.2412 2.2412 2.6795 2.6795 3.0389 3.0389 3.1536 3.1536 3.8938 3.8938 3.9752 3.9752 4.2445 4.2445 4.3193 4.3193 5.1608 5.1608 5.1752 5.1752 6.4302 6.4302 6.7446 6.7446 6.7981 6.7981 7.0240 7.0240 7.0746 7.0746 7.1467 7.1467 7.2545 7.2545 7.4631 7.4631 7.5210 7.5210 7.8053 7.8053 7.9353 7.9353 8.5256 8.5256 8.6311 8.6311 k = 0.6204-0.7257-1.9055 ( 4283 PWs) bands (ev): -5.6122 -5.6122 -5.5368 -5.5368 -4.3371 -4.3371 -4.2868 -4.2868 1.2192 1.2192 1.7960 1.7960 2.3036 2.3036 2.7253 2.7253 3.0250 3.0250 3.1545 3.1545 3.8947 3.8947 3.9598 3.9598 4.2938 4.2938 4.3475 4.3475 5.1621 5.1621 5.1760 5.1760 6.4132 6.4132 6.7399 6.7399 6.8007 6.8007 7.0340 7.0340 7.0779 7.0779 7.1479 7.1479 7.2640 7.2640 7.4537 7.4537 7.5060 7.5060 7.8014 7.8014 7.9449 7.9449 8.5408 8.5408 8.6590 8.6590 k = 0.6149-0.6893-1.9055 ( 4277 PWs) bands (ev): -5.6221 -5.6221 -5.5415 -5.5415 -4.3457 -4.3457 -4.2907 -4.2907 1.1853 1.1853 1.7655 1.7655 2.3659 2.3659 2.7705 2.7705 3.0145 3.0145 3.1575 3.1575 3.8958 3.8958 3.9446 3.9446 4.3447 4.3447 4.3778 4.3778 5.1633 5.1633 5.1766 5.1766 6.3949 6.3949 6.7347 6.7347 6.8027 6.8027 7.0434 7.0434 7.0831 7.0831 7.1496 7.1496 7.2736 7.2736 7.4435 7.4435 7.4902 7.4902 7.7980 7.7980 7.9559 7.9559 8.5604 8.5604 8.6843 8.6843 k = 0.6094-0.6529-1.9055 ( 4269 PWs) bands (ev): -5.6320 -5.6320 -5.5468 -5.5468 -4.3546 -4.3546 -4.2951 -4.2951 1.1516 1.1516 1.7351 1.7351 2.4255 2.4255 2.8137 2.8137 3.0100 3.0100 3.1632 3.1632 3.8973 3.8973 3.9299 3.9299 4.3946 4.3946 4.4120 4.4120 5.1643 5.1643 5.1772 5.1772 6.3752 6.3752 6.7290 6.7290 6.8040 6.8040 7.0520 7.0520 7.0907 7.0907 7.1518 7.1518 7.2833 7.2833 7.4329 7.4329 7.4740 7.4740 7.7948 7.7948 7.9682 7.9682 8.5842 8.5842 8.7060 8.7060 k = 0.6040-0.6165-1.9055 ( 4269 PWs) bands (ev): -5.6420 -5.6420 -5.5526 -5.5526 -4.3635 -4.3635 -4.2998 -4.2998 1.1186 1.1186 1.7051 1.7051 2.4790 2.4790 2.8535 2.8535 3.0143 3.0143 3.1725 3.1725 3.8987 3.8987 3.9159 3.9159 4.4355 4.4355 4.4573 4.4573 5.1648 5.1648 5.1783 5.1783 6.3542 6.3542 6.7230 6.7230 6.8048 6.8048 7.0592 7.0592 7.1006 7.1006 7.1546 7.1546 7.2926 7.2926 7.4219 7.4219 7.4576 7.4576 7.7915 7.7915 7.9820 7.9820 8.6119 8.6119 8.7235 8.7235 k = 0.5985-0.5801-1.9055 ( 4269 PWs) bands (ev): -5.6518 -5.6518 -5.5587 -5.5587 -4.3725 -4.3725 -4.3048 -4.3048 1.0864 1.0864 1.6759 1.6759 2.5230 2.5230 2.8885 2.8885 3.0307 3.0307 3.1860 3.1860 3.8983 3.8983 3.9045 3.9045 4.4702 4.4702 4.5098 4.5098 5.1646 5.1646 5.1801 5.1801 6.3319 6.3319 6.7167 6.7167 6.8049 6.8049 7.0655 7.0655 7.1124 7.1124 7.1578 7.1578 7.3014 7.3014 7.4111 7.4111 7.4414 7.4414 7.7881 7.7881 7.9974 7.9974 8.6431 8.6431 8.7365 8.7365 k = 0.5930-0.5437-1.9055 ( 4269 PWs) bands (ev): -5.6614 -5.6614 -5.5652 -5.5652 -4.3814 -4.3814 -4.3100 -4.3100 1.0553 1.0553 1.6476 1.6476 2.5548 2.5548 2.9178 2.9178 3.0617 3.0617 3.2045 3.2045 3.8877 3.8877 3.9039 3.9039 4.5041 4.5041 4.5634 4.5634 5.1637 5.1637 5.1830 5.1830 6.3083 6.3083 6.7102 6.7102 6.8044 6.8044 7.0713 7.0713 7.1255 7.1255 7.1617 7.1617 7.3091 7.3091 7.4007 7.4007 7.4257 7.4257 7.7845 7.7845 8.0144 8.0144 8.6770 8.6770 8.7448 8.7448 k = 0.5875-0.5073-1.9055 ( 4271 PWs) bands (ev): -5.6708 -5.6708 -5.5719 -5.5719 -4.3902 -4.3902 -4.3153 -4.3153 1.0254 1.0254 1.6204 1.6204 2.5738 2.5738 2.9408 2.9408 3.1074 3.1074 3.2279 3.2279 3.8753 3.8753 3.9058 3.9058 4.5379 4.5379 4.6167 4.6167 5.1623 5.1623 5.1870 5.1870 6.2832 6.2832 6.7035 6.7035 6.8034 6.8034 7.0767 7.0767 7.1390 7.1390 7.1662 7.1662 7.3150 7.3150 7.3913 7.3913 7.4112 7.4112 7.7804 7.7804 8.0330 8.0330 8.7121 8.7121 8.7495 8.7495 k = 0.5821-0.4709-1.9055 ( 4275 PWs) bands (ev): -5.6800 -5.6800 -5.5786 -5.5786 -4.3989 -4.3989 -4.3207 -4.3207 0.9969 0.9969 1.5943 1.5943 2.5816 2.5816 2.9580 2.9580 3.1657 3.1657 3.2559 3.2559 3.8632 3.8632 3.9079 3.9079 4.5713 4.5713 4.6692 4.6692 5.1606 5.1606 5.1921 5.1921 6.2567 6.2567 6.6969 6.6969 6.8019 6.8019 7.0820 7.0820 7.1519 7.1519 7.1722 7.1722 7.3179 7.3179 7.3828 7.3828 7.3992 7.3992 7.7759 7.7759 8.0533 8.0533 8.7376 8.7376 8.7605 8.7605 k = 0.5766-0.4345-1.9055 ( 4273 PWs) bands (ev): -5.6887 -5.6887 -5.5854 -5.5854 -4.4072 -4.4072 -4.3261 -4.3261 0.9699 0.9699 1.5696 1.5696 2.5813 2.5813 2.9702 2.9702 3.2325 3.2325 3.2877 3.2877 3.8517 3.8517 3.9101 3.9101 4.6038 4.6038 4.7204 4.7204 5.1590 5.1590 5.1983 5.1983 6.2286 6.2286 6.6903 6.6903 6.7999 6.7999 7.0871 7.0871 7.1624 7.1624 7.1811 7.1811 7.3172 7.3172 7.3735 7.3735 7.3924 7.3924 7.7711 7.7711 8.0751 8.0751 8.7376 8.7376 8.7934 8.7934 k = 0.5711-0.3981-1.9055 ( 4275 PWs) bands (ev): -5.6971 -5.6971 -5.5921 -5.5921 -4.4153 -4.4153 -4.3314 -4.3314 0.9444 0.9444 1.5462 1.5462 2.5754 2.5754 2.9786 2.9786 3.2999 3.2999 3.3268 3.3268 3.8405 3.8405 3.9124 3.9124 4.6349 4.6349 4.7699 4.7699 5.1575 5.1575 5.2058 5.2058 6.1990 6.1990 6.6840 6.6840 6.7975 6.7975 7.0922 7.0922 7.1696 7.1696 7.1935 7.1935 7.3129 7.3129 7.3628 7.3628 7.3916 7.3916 7.7657 7.7657 8.0983 8.0983 8.7305 8.7305 8.8289 8.8289 k = 0.5657-0.3617-1.9055 ( 4281 PWs) bands (ev): -5.7051 -5.7051 -5.5985 -5.5985 -4.4230 -4.4230 -4.3366 -4.3366 0.9205 0.9205 1.5243 1.5243 2.5661 2.5661 2.9843 2.9843 3.3451 3.3451 3.3920 3.3920 3.8299 3.8299 3.9146 3.9146 4.6643 4.6643 4.8174 4.8174 5.1566 5.1566 5.2146 5.2146 6.1678 6.1678 6.6780 6.6780 6.7947 6.7947 7.0972 7.0972 7.1748 7.1748 7.2073 7.2073 7.3065 7.3065 7.3521 7.3521 7.3945 7.3945 7.7599 7.7599 8.1226 8.1226 8.7206 8.7206 8.8616 8.8616 k = 0.5602-0.3253-1.9055 ( 4277 PWs) bands (ev): -5.7126 -5.7126 -5.6048 -5.6048 -4.4303 -4.4303 -4.3415 -4.3415 0.8984 0.8984 1.5040 1.5040 2.5550 2.5550 2.9880 2.9880 3.3795 3.3795 3.4691 3.4691 3.8196 3.8196 3.9168 3.9168 4.6914 4.6914 4.8624 4.8624 5.1566 5.1566 5.2246 5.2246 6.1350 6.1350 6.6725 6.6725 6.7916 6.7916 7.1020 7.1020 7.1792 7.1792 7.2210 7.2210 7.2995 7.2995 7.3422 7.3422 7.3993 7.3993 7.7536 7.7536 8.1478 8.1478 8.7092 8.7092 8.8897 8.8897 k = 0.5547-0.2889-1.9055 ( 4277 PWs) bands (ev): -5.7195 -5.7195 -5.6107 -5.6107 -4.4371 -4.4371 -4.3462 -4.3462 0.8780 0.8780 1.4852 1.4852 2.5431 2.5431 2.9902 2.9902 3.4116 3.4116 3.5468 3.5468 3.8097 3.8097 3.9190 3.9190 4.7160 4.7160 4.9043 4.9043 5.1580 5.1580 5.2359 5.2359 6.1007 6.1007 6.6676 6.6676 6.7883 6.7883 7.1066 7.1066 7.1832 7.1832 7.2329 7.2329 7.2939 7.2939 7.3336 7.3336 7.4047 7.4047 7.7468 7.7468 8.1733 8.1734 8.6969 8.6969 8.9119 8.9119 k = 0.5492-0.2525-1.9055 ( 4279 PWs) bands (ev): -5.7259 -5.7259 -5.6163 -5.6163 -4.4434 -4.4434 -4.3506 -4.3506 0.8595 0.8595 1.4681 1.4681 2.5311 2.5311 2.9915 2.9915 3.4417 3.4417 3.6228 3.6228 3.8003 3.8003 3.9212 3.9212 4.7378 4.7378 4.9423 4.9423 5.1618 5.1618 5.2482 5.2482 6.0650 6.0650 6.6633 6.6633 6.7847 6.7847 7.1109 7.1109 7.1868 7.1868 7.2406 7.2406 7.2918 7.2918 7.3269 7.3269 7.4102 7.4102 7.7396 7.7396 8.1989 8.1989 8.6844 8.6844 8.9279 8.9279 k = 0.5438-0.2161-1.9055 ( 4279 PWs) bands (ev): -5.7317 -5.7317 -5.6214 -5.6214 -4.4491 -4.4491 -4.3547 -4.3547 0.8427 0.8427 1.4527 1.4527 2.5195 2.5195 2.9922 2.9922 3.4699 3.4699 3.6949 3.6949 3.7916 3.7916 3.9233 3.9233 4.7567 4.7567 4.9753 4.9753 5.1689 5.1689 5.2611 5.2611 6.0282 6.0282 6.6597 6.6597 6.7811 6.7811 7.1149 7.1149 7.1900 7.1900 7.2426 7.2426 7.2933 7.2933 7.3235 7.3235 7.4155 7.4155 7.7321 7.7321 8.2238 8.2238 8.6722 8.6722 8.9383 8.9383 k = 0.5383-0.1797-1.9055 ( 4282 PWs) bands (ev): -5.7370 -5.7370 -5.6261 -5.6261 -4.4543 -4.4543 -4.3584 -4.3584 0.8279 0.8279 1.4391 1.4391 2.5087 2.5087 2.9924 2.9924 3.4960 3.4960 3.7579 3.7579 3.7873 3.7873 3.9257 3.9257 4.7726 4.7726 5.0022 5.0022 5.1805 5.1805 5.2742 5.2742 5.9907 5.9907 6.6567 6.6567 6.7774 6.7774 7.1185 7.1185 7.1930 7.1930 7.2401 7.2401 7.2945 7.2945 7.3261 7.3261 7.4204 7.4204 7.7244 7.7244 8.2476 8.2476 8.6609 8.6609 8.9440 8.9440 k = 0.5328-0.1433-1.9055 ( 4280 PWs) bands (ev): -5.7415 -5.7415 -5.6302 -5.6302 -4.4588 -4.4588 -4.3616 -4.3616 0.8150 0.8150 1.4272 1.4272 2.4989 2.4989 2.9923 2.9923 3.5198 3.5198 3.7694 3.7694 3.8280 3.8280 3.9287 3.9287 4.7858 4.7858 5.0221 5.0221 5.1972 5.1972 5.2870 5.2870 5.9533 5.9533 6.6544 6.6544 6.7739 6.7739 7.1217 7.1217 7.1957 7.1957 7.2357 7.2357 7.2928 7.2928 7.3346 7.3346 7.4248 7.4248 7.7167 7.7167 8.2695 8.2695 8.6508 8.6508 8.9463 8.9463 k = 0.5274-0.1069-1.9055 ( 4280 PWs) bands (ev): -5.7454 -5.7454 -5.6337 -5.6337 -4.4627 -4.4627 -4.3645 -4.3645 0.8041 0.8041 1.4170 1.4170 2.4904 2.4904 2.9921 2.9921 3.5410 3.5410 3.7623 3.7623 3.8779 3.8779 3.9343 3.9343 4.7964 4.7964 5.0356 5.0356 5.2182 5.2182 5.2989 5.2989 5.9167 5.9167 6.6526 6.6526 6.7706 6.7706 7.1245 7.1245 7.1981 7.1981 7.2309 7.2309 7.2897 7.2897 7.3457 7.3457 7.4286 7.4286 7.7091 7.7091 8.2890 8.2890 8.6422 8.6422 8.9464 8.9464 k = 0.5219-0.0705-1.9055 ( 4276 PWs) bands (ev): -5.7486 -5.7486 -5.6367 -5.6367 -4.4659 -4.4659 -4.3668 -4.3668 0.7951 0.7951 1.4087 1.4087 2.4832 2.4832 2.9918 2.9918 3.5595 3.5595 3.7548 3.7548 3.9094 3.9094 3.9508 3.9508 4.8047 4.8047 5.0439 5.0439 5.2415 5.2415 5.3093 5.3093 5.8824 5.8824 6.6514 6.6514 6.7677 6.7677 7.1268 7.1268 7.2003 7.2003 7.2264 7.2264 7.2866 7.2866 7.3569 7.3569 7.4317 7.4317 7.7021 7.7021 8.3056 8.3056 8.6351 8.6351 8.9452 8.9452 k = 0.5164-0.0341-1.9055 ( 4270 PWs) bands (ev): -5.7511 -5.7511 -5.6390 -5.6390 -4.4684 -4.4684 -4.3686 -4.3686 0.7880 0.7880 1.4023 1.4023 2.4776 2.4776 2.9915 2.9915 3.5748 3.5748 3.7479 3.7479 3.9194 3.9194 3.9795 3.9795 4.8108 4.8108 5.0488 5.0488 5.2644 5.2644 5.3178 5.3178 5.8520 5.8520 6.6505 6.6505 6.7653 6.7653 7.1287 7.1287 7.2023 7.2023 7.2224 7.2224 7.2839 7.2839 7.3669 7.3669 7.4341 7.4341 7.6960 7.6960 8.3189 8.3189 8.6299 8.6299 8.9435 8.9435 k = 0.5109 0.0023-1.9055 ( 4266 PWs) bands (ev): -5.7529 -5.7529 -5.6406 -5.6406 -4.4702 -4.4702 -4.3700 -4.3700 0.7830 0.7830 1.3976 1.3976 2.4735 2.4735 2.9913 2.9913 3.5864 3.5864 3.7423 3.7423 3.9225 3.9225 4.0047 4.0047 4.8150 4.8150 5.0514 5.0514 5.2841 5.2841 5.3237 5.3237 5.8276 5.8276 6.6500 6.6500 6.7635 6.7635 7.1300 7.1300 7.2040 7.2040 7.2192 7.2192 7.2820 7.2820 7.3747 7.3747 7.4359 7.4359 7.6912 7.6912 8.3285 8.3285 8.6262 8.6262 8.9419 8.9419 k = 0.5055 0.0387-1.9055 ( 4268 PWs) bands (ev): -5.7540 -5.7540 -5.6416 -5.6416 -4.4713 -4.4713 -4.3708 -4.3708 0.7800 0.7800 1.3948 1.3948 2.4710 2.4710 2.9911 2.9911 3.5938 3.5938 3.7385 3.7385 3.9238 3.9238 4.0208 4.0208 4.8175 4.8175 5.0527 5.0527 5.2978 5.2978 5.3270 5.3270 5.8117 5.8117 6.6497 6.6497 6.7624 6.7624 7.1308 7.1308 7.2054 7.2054 7.2169 7.2169 7.2807 7.2807 7.3796 7.3796 7.4369 7.4369 7.6881 7.6881 8.3343 8.3343 8.6241 8.6241 8.9408 8.9408 k = 0.5000 0.0752-1.9055 ( 4266 PWs) bands (ev): -5.7544 -5.7544 -5.6420 -5.6420 -4.4716 -4.4716 -4.3710 -4.3710 0.7790 0.7790 1.3939 1.3939 2.4702 2.4702 2.9911 2.9911 3.5963 3.5963 3.7371 3.7371 3.9242 3.9242 4.0262 4.0262 4.8183 4.8183 5.0531 5.0531 5.3027 5.3027 5.3280 5.3280 5.8062 5.8062 6.6496 6.6496 6.7620 6.7620 7.1311 7.1311 7.2060 7.2060 7.2160 7.2160 7.2802 7.2802 7.3813 7.3813 7.4373 7.4373 7.6871 7.6871 8.3362 8.3362 8.6233 8.6233 8.9404 8.9404 k = 0.5000 0.0752-1.9055 ( 4266 PWs) bands (ev): -5.7544 -5.7544 -5.6420 -5.6420 -4.4716 -4.4716 -4.3710 -4.3710 0.7790 0.7790 1.3939 1.3939 2.4702 2.4702 2.9911 2.9911 3.5963 3.5963 3.7371 3.7371 3.9242 3.9242 4.0262 4.0262 4.8183 4.8183 5.0531 5.0531 5.3027 5.3027 5.3280 5.3280 5.8062 5.8062 6.6496 6.6496 6.7620 6.7620 7.1311 7.1311 7.2060 7.2060 7.2160 7.2160 7.2802 7.2802 7.3813 7.3813 7.4373 7.4373 7.6871 7.6871 8.3362 8.3362 8.6233 8.6233 8.9404 8.9404 k = 0.5328 0.0801-1.8967 ( 4267 PWs) bands (ev): -5.7545 -5.7545 -5.6420 -5.6420 -4.4717 -4.4717 -4.3710 -4.3710 0.7791 0.7791 1.3936 1.3936 2.4709 2.4709 2.9916 2.9916 3.5963 3.5963 3.7361 3.7361 3.9241 3.9241 4.0263 4.0263 4.8172 4.8172 5.0546 5.0546 5.2988 5.2988 5.3320 5.3320 5.8063 5.8063 6.6468 6.6468 6.7648 6.7648 7.1311 7.1311 7.2060 7.2060 7.2160 7.2160 7.2802 7.2802 7.3811 7.3811 7.4374 7.4374 7.6864 7.6864 8.3354 8.3354 8.6247 8.6247 8.9423 8.9423 k = 0.5657 0.0850-1.8879 ( 4263 PWs) bands (ev): -5.7548 -5.7548 -5.6419 -5.6419 -4.4719 -4.4719 -4.3709 -4.3709 0.7796 0.7796 1.3925 1.3925 2.4730 2.4730 2.9932 2.9932 3.5963 3.5963 3.7329 3.7329 3.9239 3.9239 4.0265 4.0265 4.8140 4.8140 5.0587 5.0587 5.2906 5.2906 5.3404 5.3404 5.8065 5.8065 6.6391 6.6391 6.7725 6.7725 7.1312 7.1312 7.2061 7.2061 7.2160 7.2160 7.2800 7.2800 7.3805 7.3805 7.4378 7.4378 7.6845 7.6845 8.3330 8.3330 8.6289 8.6289 8.9480 8.9480 k = 0.5985 0.0900-1.8791 ( 4260 PWs) bands (ev): -5.7553 -5.7553 -5.6417 -5.6417 -4.4722 -4.4722 -4.3709 -4.3709 0.7802 0.7802 1.3909 1.3909 2.4765 2.4765 2.9958 2.9958 3.5963 3.5963 3.7277 3.7277 3.9234 3.9234 4.0267 4.0267 4.8091 4.8091 5.0652 5.0652 5.2813 5.2813 5.3501 5.3501 5.8070 5.8070 6.6282 6.6282 6.7834 6.7834 7.1313 7.1313 7.2062 7.2062 7.2160 7.2160 7.2798 7.2798 7.3795 7.3795 7.4384 7.4384 7.6815 7.6815 8.3293 8.3293 8.6356 8.6356 8.9573 8.9573 k = 0.6313 0.0949-1.8703 ( 4262 PWs) bands (ev): -5.7559 -5.7559 -5.6415 -5.6415 -4.4726 -4.4726 -4.3708 -4.3708 0.7812 0.7812 1.3887 1.3887 2.4811 2.4811 2.9993 2.9993 3.5962 3.5962 3.7210 3.7210 3.9225 3.9225 4.0271 4.0271 4.8030 4.8030 5.0734 5.0734 5.2719 5.2719 5.3599 5.3599 5.8077 5.8077 6.6156 6.6156 6.7959 6.7959 7.1315 7.1315 7.2063 7.2063 7.2159 7.2159 7.2794 7.2794 7.3781 7.3781 7.4391 7.4391 7.6775 7.6775 8.3245 8.3245 8.6447 8.6447 8.9696 8.9696 k = 0.6641 0.0998-1.8615 ( 4264 PWs) bands (ev): -5.7568 -5.7568 -5.6413 -5.6413 -4.4731 -4.4731 -4.3706 -4.3706 0.7824 0.7824 1.3860 1.3860 2.4867 2.4867 3.0035 3.0035 3.5962 3.5962 3.7130 3.7130 3.9211 3.9211 4.0275 4.0275 4.7963 4.7963 5.0828 5.0828 5.2628 5.2628 5.3696 5.3696 5.8086 5.8086 6.6022 6.6022 6.8092 6.8092 7.1318 7.1318 7.2065 7.2065 7.2158 7.2158 7.2789 7.2789 7.3765 7.3765 7.4401 7.4401 7.6727 7.6727 8.3189 8.3189 8.6557 8.6557 8.9844 8.9844 k = 0.6641 0.0998-1.8615 ( 4264 PWs) bands (ev): -5.7568 -5.7568 -5.6413 -5.6413 -4.4731 -4.4731 -4.3706 -4.3706 0.7824 0.7824 1.3860 1.3860 2.4867 2.4867 3.0035 3.0035 3.5962 3.5962 3.7130 3.7130 3.9211 3.9211 4.0275 4.0275 4.7963 4.7963 5.0828 5.0828 5.2628 5.2628 5.3696 5.3696 5.8086 5.8086 6.6022 6.6022 6.8092 6.8092 7.1318 7.1318 7.2065 7.2065 7.2158 7.2158 7.2789 7.2789 7.3765 7.3765 7.4401 7.4401 7.6727 7.6727 8.3189 8.3189 8.6557 8.6557 8.9844 8.9844 k = 0.6610 0.0993-1.8249 ( 4262 PWs) bands (ev): -5.7661 -5.7661 -5.6390 -5.6390 -4.4764 -4.4764 -4.3719 -4.3719 0.7903 0.7903 1.3926 1.3926 2.4826 2.4826 3.0072 3.0072 3.5970 3.5970 3.7122 3.7122 3.9306 3.9306 4.0287 4.0287 4.7967 4.7967 5.0811 5.0811 5.2649 5.2649 5.3683 5.3683 5.8057 5.8057 6.6079 6.6079 6.8064 6.8064 7.1323 7.1323 7.2053 7.2053 7.2135 7.2135 7.2774 7.2774 7.3770 7.3770 7.4425 7.4425 7.6781 7.6781 8.3116 8.3116 8.6565 8.6565 8.9884 8.9884 k = 0.6578 0.0989-1.7882 ( 4261 PWs) bands (ev): -5.7813 -5.7813 -5.6361 -5.6361 -4.4820 -4.4820 -4.3744 -4.3744 0.8044 0.8044 1.4031 1.4031 2.4785 2.4785 3.0131 3.0131 3.5983 3.5983 3.7124 3.7124 3.9416 3.9416 4.0308 4.0308 4.7971 4.7971 5.0798 5.0798 5.2674 5.2674 5.3673 5.3673 5.8031 5.8031 6.6139 6.6139 6.8048 6.8048 7.1333 7.1333 7.2007 7.2007 7.2120 7.2120 7.2749 7.2749 7.3778 7.3778 7.4466 7.4466 7.6871 7.6871 8.3034 8.3034 8.6586 8.6586 8.9900 8.9900 k = 0.6547 0.0984-1.7516 ( 4266 PWs) bands (ev): -5.8012 -5.8012 -5.6337 -5.6337 -4.4896 -4.4896 -4.3782 -4.3782 0.8247 0.8247 1.4173 1.4173 2.4743 2.4743 3.0214 3.0214 3.6002 3.6002 3.7137 3.7137 3.9537 3.9537 4.0339 4.0339 4.7976 4.7976 5.0789 5.0789 5.2703 5.2703 5.3665 5.3665 5.8011 5.8011 6.6202 6.6202 6.8044 6.8044 7.1346 7.1346 7.1923 7.1923 7.2124 7.2124 7.2711 7.2711 7.3790 7.3790 7.4524 7.4524 7.6993 7.6993 8.2944 8.2944 8.6620 8.6620 8.9891 8.9891 k = 0.6515 0.0979-1.7149 ( 4256 PWs) bands (ev): -5.8250 -5.8250 -5.6326 -5.6326 -4.4993 -4.4993 -4.3833 -4.3833 0.8510 0.8510 1.4353 1.4353 2.4699 2.4699 3.0319 3.0319 3.6027 3.6027 3.7164 3.7164 3.9667 3.9667 4.0380 4.0380 4.7981 4.7981 5.0785 5.0785 5.2736 5.2736 5.3659 5.3659 5.7997 5.7997 6.6267 6.6267 6.8052 6.8052 7.1355 7.1355 7.1818 7.1818 7.2139 7.2139 7.2662 7.2662 7.3808 7.3808 7.4601 7.4601 7.7144 7.7144 8.2848 8.2848 8.6666 8.6666 8.9859 8.9859 k = 0.6484 0.0974-1.6783 ( 4260 PWs) bands (ev): -5.8520 -5.8520 -5.6332 -5.6332 -4.5108 -4.5108 -4.3898 -4.3898 0.8832 0.8832 1.4568 1.4568 2.4653 2.4653 3.0448 3.0448 3.6056 3.6056 3.7206 3.7206 3.9803 3.9803 4.0430 4.0430 4.7989 4.7989 5.0787 5.0787 5.2773 5.2773 5.3657 5.3657 5.7992 5.7992 6.6334 6.6334 6.8072 6.8072 7.1349 7.1349 7.1712 7.1712 7.2160 7.2160 7.2601 7.2601 7.3832 7.3832 7.4694 7.4694 7.7319 7.7319 8.2746 8.2746 8.6724 8.6724 8.9805 8.9805 k = 0.6452 0.0970-1.6416 ( 4260 PWs) bands (ev): -5.8818 -5.8818 -5.6359 -5.6359 -4.5239 -4.5239 -4.3978 -4.3978 0.9212 0.9212 1.4816 1.4816 2.4604 2.4604 3.0601 3.0601 3.6091 3.6091 3.7265 3.7265 3.9942 3.9942 4.0490 4.0490 4.8001 4.8001 5.0795 5.0795 5.2815 5.2815 5.3657 5.3657 5.7997 5.7997 6.6400 6.6400 6.8102 6.8102 7.1300 7.1300 7.1636 7.1636 7.2185 7.2185 7.2533 7.2533 7.3862 7.3862 7.4803 7.4803 7.7515 7.7515 8.2640 8.2640 8.6791 8.6791 8.9730 8.9730 k = 0.6420 0.0965-1.6050 ( 4254 PWs) bands (ev): -5.9139 -5.9139 -5.6408 -5.6408 -4.5386 -4.5386 -4.4072 -4.4072 0.9645 0.9645 1.5097 1.5097 2.4552 2.4552 3.0776 3.0776 3.6130 3.6130 3.7341 3.7341 4.0083 4.0083 4.0559 4.0559 4.8020 4.8020 5.0810 5.0810 5.2860 5.2860 5.3661 5.3661 5.8015 5.8015 6.6468 6.6468 6.8142 6.8142 7.1190 7.1190 7.1611 7.1611 7.2204 7.2204 7.2468 7.2468 7.3899 7.3899 7.4927 7.4927 7.7727 7.7727 8.2532 8.2532 8.6868 8.6868 8.9635 8.9635 k = 0.6389 0.0960-1.5683 ( 4258 PWs) bands (ev): -5.9482 -5.9482 -5.6480 -5.6480 -4.5546 -4.5546 -4.4181 -4.4181 1.0131 1.0131 1.5406 1.5406 2.4495 2.4495 3.0976 3.0976 3.6173 3.6173 3.7435 3.7435 4.0222 4.0222 4.0638 4.0638 4.8050 4.8050 5.0833 5.0833 5.2909 5.2909 5.3668 5.3668 5.8046 5.8046 6.6535 6.6535 6.8190 6.8190 7.1039 7.1039 7.1617 7.1617 7.2197 7.2197 7.2430 7.2430 7.3942 7.3942 7.5064 7.5064 7.7952 7.7952 8.2421 8.2421 8.6954 8.6954 8.9521 8.9521 k = 0.6357 0.0956-1.5317 ( 4264 PWs) bands (ev): -5.9844 -5.9844 -5.6573 -5.6573 -4.5719 -4.5719 -4.4304 -4.4304 1.0665 1.0665 1.5740 1.5740 2.4435 2.4435 3.1198 3.1198 3.6219 3.6219 3.7547 3.7547 4.0356 4.0356 4.0726 4.0726 4.8095 4.8095 5.0864 5.0864 5.2963 5.2963 5.3679 5.3679 5.8094 5.8094 6.6601 6.6601 6.8244 6.8244 7.0867 7.0867 7.1631 7.1631 7.2147 7.2147 7.2442 7.2442 7.3992 7.3992 7.5213 7.5213 7.8188 7.8188 8.2312 8.2312 8.7047 8.7047 8.9387 8.9387 k = 0.6326 0.0951-1.4950 ( 4255 PWs) bands (ev): -6.0222 -6.0222 -5.6688 -5.6688 -4.5903 -4.5903 -4.4440 -4.4440 1.1245 1.1245 1.6098 1.6098 2.4373 2.4373 3.1443 3.1443 3.6269 3.6269 3.7675 3.7675 4.0486 4.0486 4.0823 4.0823 4.8161 4.8161 5.0904 5.0904 5.3021 5.3021 5.3694 5.3694 5.8159 5.8159 6.6669 6.6669 6.8302 6.8302 7.0685 7.0685 7.1637 7.1637 7.2076 7.2076 7.2491 7.2491 7.4051 7.4051 7.5372 7.5372 7.8433 7.8433 8.2205 8.2205 8.7146 8.7146 8.9236 8.9236 k = 0.6294 0.0946-1.4584 ( 4256 PWs) bands (ev): -6.0616 -6.0616 -5.6824 -5.6824 -4.6097 -4.6097 -4.4590 -4.4590 1.1865 1.1865 1.6473 1.6473 2.4311 2.4311 3.1710 3.1710 3.6321 3.6321 3.7819 3.7819 4.0608 4.0608 4.0929 4.0929 4.8253 4.8253 5.0952 5.0952 5.3084 5.3084 5.3712 5.3712 5.8243 5.8243 6.6737 6.6737 6.8363 6.8363 7.0497 7.0497 7.1618 7.1618 7.2018 7.2018 7.2559 7.2559 7.4117 7.4117 7.5538 7.5538 7.8684 7.8684 8.2104 8.2104 8.7250 8.7250 8.9067 8.9067 k = 0.6263 0.0941-1.4218 ( 4262 PWs) bands (ev): -6.1022 -6.1022 -5.6979 -5.6979 -4.6298 -4.6298 -4.4752 -4.4752 1.2522 1.2522 1.6862 1.6862 2.4254 2.4254 3.1998 3.1998 3.6376 3.6376 3.7975 3.7975 4.0722 4.0722 4.1044 4.1044 4.8375 4.8375 5.1008 5.1008 5.3150 5.3150 5.3735 5.3735 5.8346 5.8346 6.6806 6.6806 6.8424 6.8424 7.0306 7.0306 7.1558 7.1558 7.1994 7.1994 7.2638 7.2638 7.4190 7.4190 7.5709 7.5709 7.8939 7.8939 8.2009 8.2009 8.7358 8.7358 8.8879 8.8879 k = 0.6231 0.0937-1.3851 ( 4258 PWs) bands (ev): -6.1439 -6.1439 -5.7154 -5.7154 -4.6507 -4.6507 -4.4926 -4.4926 1.3210 1.3210 1.7257 1.7257 2.4207 2.4207 3.2307 3.2307 3.6432 3.6432 3.8140 3.8140 4.0831 4.0831 4.1167 4.1167 4.8532 4.8532 5.1072 5.1072 5.3222 5.3222 5.3761 5.3761 5.8469 5.8469 6.6876 6.6876 6.8484 6.8484 7.0114 7.0114 7.1462 7.1462 7.2005 7.2005 7.2727 7.2727 7.4270 7.4270 7.5884 7.5884 7.9198 7.9198 8.1924 8.1924 8.7469 8.7469 8.8674 8.8674 k = 0.6199 0.0932-1.3485 ( 4256 PWs) bands (ev): -6.1865 -6.1865 -5.7345 -5.7345 -4.6722 -4.6722 -4.5111 -4.5111 1.3922 1.3922 1.7653 1.7653 2.4180 2.4180 3.2634 3.2634 3.6489 3.6489 3.8306 3.8306 4.0939 4.0939 4.1299 4.1299 4.8729 4.8729 5.1143 5.1143 5.3298 5.3298 5.3792 5.3792 5.8614 5.8614 6.6947 6.6947 6.8542 6.8542 6.9924 6.9924 7.1344 7.1344 7.2039 7.2039 7.2820 7.2820 7.4356 7.4356 7.6059 7.6059 7.9458 7.9458 8.1853 8.1853 8.7581 8.7581 8.8451 8.8451 k = 0.6168 0.0927-1.3118 ( 4258 PWs) bands (ev): -6.2298 -6.2298 -5.7553 -5.7553 -4.6942 -4.6942 -4.5306 -4.5306 1.4650 1.4650 1.8039 1.8039 2.4185 2.4185 3.2978 3.2978 3.6546 3.6546 3.8467 3.8467 4.1053 4.1053 4.1438 4.1438 4.8967 4.8967 5.1222 5.1222 5.3380 5.3380 5.3827 5.3827 5.8780 5.8780 6.7019 6.7019 6.8595 6.8595 6.9736 6.9736 7.1216 7.1216 7.2085 7.2085 7.2917 7.2917 7.4447 7.4447 7.6233 7.6233 7.9719 7.9719 8.1797 8.1797 8.7687 8.7687 8.8216 8.8216 k = 0.6136 0.0922-1.2752 ( 4265 PWs) bands (ev): -6.2737 -6.2737 -5.7775 -5.7775 -4.7166 -4.7166 -4.5511 -4.5511 1.5383 1.5383 1.8406 1.8406 2.4235 2.4235 3.3337 3.3337 3.6604 3.6604 3.8614 3.8614 4.1183 4.1183 4.1586 4.1586 4.9245 4.9245 5.1308 5.1308 5.3466 5.3466 5.3868 5.3868 5.8968 5.8968 6.7091 6.7091 6.8641 6.8641 6.9553 6.9553 7.1084 7.1084 7.2142 7.2142 7.3016 7.3016 7.4543 7.4543 7.6402 7.6402 7.9979 7.9979 8.1761 8.1761 8.7747 8.7747 8.8006 8.8006 k = 0.6105 0.0918-1.2385 ( 4265 PWs) bands (ev): -6.3180 -6.3180 -5.8010 -5.8010 -4.7393 -4.7393 -4.5723 -4.5723 1.6107 1.6107 1.8747 1.8747 2.4351 2.4351 3.3707 3.3707 3.6661 3.6661 3.8739 3.8739 4.1341 4.1341 4.1740 4.1740 4.9563 4.9563 5.1402 5.1402 5.3556 5.3556 5.3913 5.3913 5.9178 5.9178 6.7164 6.7164 6.8677 6.8677 6.9377 6.9377 7.0952 7.0952 7.2207 7.2207 7.3115 7.3115 7.4640 7.4640 7.6565 7.6565 8.0236 8.0236 8.1749 8.1749 8.7582 8.7582 8.8000 8.8000 k = 0.6073 0.0913-1.2019 ( 4264 PWs) bands (ev): -6.3626 -6.3626 -5.8256 -5.8256 -4.7622 -4.7622 -4.5943 -4.5943 1.6798 1.6798 1.9063 1.9063 2.4550 2.4550 3.4086 3.4086 3.6718 3.6718 3.8835 3.8835 4.1536 4.1536 4.1901 4.1901 4.9913 4.9913 5.1508 5.1508 5.3651 5.3651 5.3966 5.3966 5.9408 5.9408 6.7237 6.7237 6.8697 6.8697 6.9217 6.9217 7.0822 7.0822 7.2280 7.2280 7.3212 7.3212 7.4737 7.4737 7.6718 7.6718 8.0491 8.0491 8.1764 8.1764 8.7284 8.7284 8.8102 8.8102 k = 0.6042 0.0908-1.1652 ( 4262 PWs) bands (ev): -6.4072 -6.4072 -5.8512 -5.8512 -4.7852 -4.7852 -4.6169 -4.6169 1.7419 1.7419 1.9371 1.9371 2.4846 2.4846 3.4467 3.4467 3.6774 3.6774 3.8904 3.8904 4.1775 4.1775 4.2069 4.2069 5.0285 5.0285 5.1634 5.1634 5.3747 5.3747 5.4028 5.4028 5.9659 5.9659 6.7309 6.7309 6.8686 6.8686 6.9088 6.9088 7.0696 7.0696 7.2361 7.2361 7.3305 7.3305 7.4831 7.4831 7.6860 7.6860 8.0741 8.0741 8.1811 8.1811 8.6945 8.6945 8.8218 8.8218 k = 0.6010 0.0903-1.1286 ( 4264 PWs) bands (ev): -6.4518 -6.4518 -5.8776 -5.8776 -4.8083 -4.8083 -4.6400 -4.6400 1.7910 1.7910 1.9718 1.9718 2.5250 2.5250 3.4844 3.4844 3.6828 3.6828 3.8952 3.8952 4.2059 4.2059 4.2242 4.2242 5.0655 5.0655 5.1799 5.1799 5.3841 5.3841 5.4102 5.4102 5.9929 5.9929 6.7380 6.7380 6.8622 6.8622 6.9009 6.9009 7.0575 7.0575 7.2449 7.2449 7.3391 7.3391 7.4921 7.4921 7.6988 7.6988 8.0986 8.0986 8.1892 8.1892 8.6574 8.6574 8.8339 8.8339 k = 0.5979 0.0899-1.0920 ( 4258 PWs) bands (ev): -6.4963 -6.4963 -5.9048 -5.9048 -4.8314 -4.8314 -4.6635 -4.6635 1.8216 1.8216 2.0154 2.0154 2.5760 2.5760 3.5207 3.5207 3.6880 3.6880 3.8993 3.8993 4.2374 4.2374 4.2434 4.2434 5.0983 5.0983 5.2040 5.2040 5.3931 5.3931 5.4194 5.4194 6.0216 6.0216 6.7449 6.7449 6.8509 6.8509 6.8982 6.8982 7.0461 7.0461 7.2546 7.2546 7.3469 7.3469 7.5003 7.5003 7.7100 7.7100 8.1226 8.1226 8.2013 8.2013 8.6173 8.6173 8.8462 8.8462 k = 0.5947 0.0894-1.0553 ( 4257 PWs) bands (ev): -6.5404 -6.5404 -5.9324 -5.9324 -4.8543 -4.8543 -4.6873 -4.6873 1.8340 1.8340 2.0680 2.0680 2.6370 2.6370 3.5543 3.5543 3.6931 3.6931 3.9047 3.9047 4.2589 4.2589 4.2769 4.2769 5.1228 5.1228 5.2393 5.2393 5.4013 5.4013 5.4305 5.4305 6.0520 6.0520 6.7515 6.7515 6.8372 6.8372 6.8979 6.8979 7.0353 7.0353 7.2650 7.2650 7.3537 7.3537 7.5075 7.5075 7.7193 7.7193 8.1458 8.1458 8.2172 8.2172 8.5744 8.5744 8.8585 8.8585 k = 0.5915 0.0889-1.0187 ( 4259 PWs) bands (ev): -6.5840 -6.5840 -5.9605 -5.9605 -4.8771 -4.8771 -4.7113 -4.7113 1.8330 1.8330 2.1253 2.1253 2.7067 2.7067 3.5835 3.5835 3.6980 3.6980 3.9139 3.9139 4.2774 4.2774 4.3173 4.3173 5.1391 5.1391 5.2851 5.2851 5.4088 5.4088 5.4437 5.4437 6.0836 6.0836 6.7576 6.7576 6.8230 6.8230 6.8985 6.8985 7.0252 7.0252 7.2761 7.2761 7.3592 7.3592 7.5135 7.5135 7.7266 7.7266 8.1683 8.1683 8.2372 8.2372 8.5290 8.5290 8.8707 8.8707 k = 0.5884 0.0884-0.9820 ( 4260 PWs) bands (ev): -6.6272 -6.6272 -5.9887 -5.9887 -4.8997 -4.8997 -4.7354 -4.7354 1.8233 1.8233 2.1837 2.1837 2.7840 2.7840 3.6066 3.6066 3.7026 3.7026 3.9290 3.9290 4.2957 4.2957 4.3611 4.3611 5.1500 5.1500 5.3379 5.3379 5.4162 5.4162 5.4588 5.4588 6.1163 6.1163 6.7629 6.7629 6.8093 6.8093 6.8993 6.8993 7.0160 7.0160 7.2877 7.2877 7.3634 7.3634 7.5179 7.5179 7.7320 7.7320 8.1901 8.1901 8.2609 8.2609 8.4816 8.4816 8.8755 8.8755 k = 0.5852 0.0880-0.9454 ( 4254 PWs) bands (ev): -6.6696 -6.6696 -6.0171 -6.0171 -4.9220 -4.9220 -4.7595 -4.7595 1.8077 1.8077 2.2409 2.2409 2.8674 2.8674 3.6228 3.6228 3.7071 3.7071 3.9519 3.9519 4.3141 4.3141 4.4076 4.4076 5.1580 5.1580 5.3932 5.3932 5.4257 5.4257 5.4756 5.4756 6.1498 6.1498 6.7667 6.7667 6.7971 6.7971 6.9002 6.9002 7.0076 7.0076 7.2996 7.2996 7.3661 7.3661 7.5207 7.5207 7.7356 7.7356 8.2109 8.2109 8.2876 8.2876 8.4336 8.4336 8.8583 8.8583 k = 0.5821 0.0875-0.9087 ( 4259 PWs) bands (ev): -6.7113 -6.7113 -6.0455 -6.0455 -4.9440 -4.9440 -4.7836 -4.7836 1.7882 1.7882 2.2959 2.2959 2.9557 2.9557 3.6319 3.6319 3.7112 3.7112 3.9829 3.9829 4.3324 4.3324 4.4566 4.4566 5.1641 5.1641 5.4234 5.4234 5.4626 5.4626 5.4945 5.4945 6.1836 6.1836 6.7666 6.7666 6.7888 6.7888 6.9009 6.9009 6.9999 6.9999 7.3114 7.3114 7.3670 7.3670 7.5215 7.5215 7.7373 7.7373 8.2306 8.2306 8.3148 8.3148 8.3879 8.3879 8.8438 8.8438 k = 0.5789 0.0870-0.8721 ( 4259 PWs) bands (ev): -6.7522 -6.7522 -6.0738 -6.0738 -4.9655 -4.9655 -4.8075 -4.8075 1.7660 1.7660 2.3482 2.3482 3.0474 3.0474 3.6354 3.6354 3.7149 3.7149 4.0214 4.0214 4.3505 4.3505 4.5078 4.5078 5.1692 5.1692 5.4317 5.4317 5.5100 5.5100 5.5284 5.5284 6.2174 6.2174 6.7601 6.7601 6.7873 6.7873 6.9016 6.9016 6.9929 6.9929 7.3224 7.3224 7.3665 7.3665 7.5202 7.5202 7.7376 7.7376 8.2489 8.2489 8.3176 8.3176 8.3699 8.3699 8.8342 8.8342 k = 0.5758 0.0865-0.8354 ( 4255 PWs) bands (ev): -6.7920 -6.7920 -6.1018 -6.1018 -4.9866 -4.9866 -4.8311 -4.8311 1.7420 1.7420 2.3973 2.3973 3.1417 3.1417 3.6349 3.6349 3.7183 3.7183 4.0660 4.0660 4.3683 4.3683 4.5608 4.5608 5.1739 5.1739 5.4381 5.4381 5.5332 5.5332 5.5913 5.5913 6.2510 6.2510 6.7503 6.7503 6.7892 6.7892 6.9022 6.9022 6.9867 6.9867 7.3315 7.3315 7.3649 7.3649 7.5162 7.5162 7.7367 7.7367 8.2636 8.2636 8.2806 8.2806 8.3978 8.3978 8.8301 8.8301 k = 0.5726 0.0861-0.7988 ( 4253 PWs) bands (ev): -6.8309 -6.8309 -6.1294 -6.1294 -5.0072 -5.0072 -4.8544 -4.8544 1.7167 1.7167 2.4432 2.4432 3.2373 3.2373 3.6322 3.6322 3.7213 3.7213 4.1154 4.1154 4.3857 4.3857 4.6152 4.6152 5.1788 5.1788 5.4441 5.4441 5.5563 5.5563 5.6568 5.6568 6.2838 6.2838 6.7401 6.7401 6.7917 6.7917 6.9028 6.9028 6.9813 6.9813 7.3363 7.3363 7.3639 7.3639 7.5094 7.5094 7.7353 7.7353 8.2324 8.2324 8.2841 8.2841 8.4337 8.4337 8.8323 8.8323 k = 0.5694 0.0856-0.7621 ( 4245 PWs) bands (ev): -6.8686 -6.8686 -6.1566 -6.1566 -5.0273 -5.0273 -4.8772 -4.8772 1.6908 1.6908 2.4856 2.4856 3.3333 3.3333 3.6285 3.6285 3.7241 3.7241 4.1687 4.1687 4.4026 4.4026 4.6705 4.6705 5.1845 5.1845 5.4499 5.4499 5.5809 5.5809 5.7229 5.7229 6.3156 6.3156 6.7305 6.7305 6.7938 6.7938 6.9034 6.9034 6.9766 6.9766 7.3343 7.3343 7.3648 7.3648 7.4992 7.4992 7.7338 7.7338 8.1918 8.1918 8.2984 8.2984 8.4713 8.4713 8.8416 8.8416 k = 0.5663 0.0851-0.7255 ( 4247 PWs) bands (ev): -6.9051 -6.9051 -6.1831 -6.1831 -5.0468 -5.0468 -4.8996 -4.8996 1.6645 1.6645 2.5245 2.5245 3.4286 3.4286 3.6250 3.6250 3.7266 3.7266 4.2249 4.2249 4.4189 4.4189 4.7258 4.7258 5.1921 5.1921 5.4554 5.4554 5.6069 5.6069 5.7885 5.7885 6.3461 6.3461 6.7214 6.7214 6.7951 6.7951 6.9040 6.9040 6.9724 6.9724 7.3262 7.3262 7.3657 7.3657 7.4857 7.4857 7.7330 7.7330 8.1554 8.1554 8.3117 8.3117 8.5089 8.5089 8.8584 8.8584 k = 0.5631 0.0846-0.6889 ( 4241 PWs) bands (ev): -6.9403 -6.9403 -6.2091 -6.2091 -5.0656 -5.0656 -4.9214 -4.9214 1.6382 1.6382 2.5597 2.5597 3.5216 3.5216 3.6235 3.6235 3.7288 3.7288 4.2836 4.2836 4.4346 4.4346 4.7801 4.7801 5.2030 5.2030 5.4606 5.4606 5.6345 5.6345 5.8530 5.8530 6.3749 6.3749 6.7133 6.7133 6.7954 6.7954 6.9049 6.9049 6.9688 6.9688 7.3139 7.3139 7.3632 7.3632 7.4691 7.4691 7.7334 7.7334 8.1250 8.1250 8.3236 8.3236 8.5458 8.5458 8.8832 8.8832 k = 0.5600 0.0842-0.6522 ( 4247 PWs) bands (ev): -6.9742 -6.9742 -6.2342 -6.2342 -5.0838 -5.0838 -4.9425 -4.9425 1.6121 1.6121 2.5912 2.5912 3.5992 3.5992 3.6367 3.6367 3.7308 3.7308 4.3443 4.3443 4.4495 4.4495 4.8314 4.8314 5.2189 5.2189 5.4656 5.4656 5.6638 5.6638 5.9157 5.9157 6.4019 6.4019 6.7060 6.7060 6.7942 6.7942 6.9061 6.9061 6.9657 6.9657 7.2984 7.2984 7.3545 7.3545 7.4504 7.4504 7.7355 7.7355 8.1012 8.1012 8.3341 8.3341 8.5819 8.5819 8.9159 8.9159 k = 0.5568 0.0837-0.6156 ( 4244 PWs) bands (ev): -7.0067 -7.0067 -6.2586 -6.2586 -5.1013 -5.1013 -4.9630 -4.9630 1.5865 1.5865 2.6189 2.6189 3.6137 3.6137 3.7118 3.7118 3.7329 3.7329 4.4067 4.4067 4.4637 4.4637 4.8775 4.8775 5.2423 5.2423 5.4704 5.4704 5.6946 5.6946 5.9759 5.9759 6.4268 6.4268 6.6996 6.6996 6.7914 6.7914 6.9076 6.9076 6.9630 6.9630 7.2801 7.2801 7.3378 7.3378 7.4311 7.4311 7.7395 7.7395 8.0847 8.0847 8.3433 8.3433 8.6173 8.6173 8.9558 8.9558 k = 0.5537 0.0832-0.5789 ( 4242 PWs) bands (ev): -7.0377 -7.0377 -6.2820 -6.2820 -5.1180 -5.1180 -4.9826 -4.9826 1.5615 1.5615 2.6430 2.6430 3.6168 3.6168 3.7338 3.7338 3.7980 3.7980 4.4697 4.4697 4.4780 4.4780 4.9161 4.9161 5.2756 5.2756 5.4749 5.4749 5.7270 5.7270 6.0329 6.0329 6.4497 6.4497 6.6941 6.6941 6.7867 6.7867 6.9095 6.9095 6.9607 6.9607 7.2593 7.2593 7.3130 7.3130 7.4119 7.4119 7.7453 7.7453 8.0755 8.0755 8.3512 8.3512 8.6527 8.6527 9.0014 9.0014 k = 0.5505 0.0827-0.5423 ( 4240 PWs) bands (ev): -7.0673 -7.0673 -6.3044 -6.3044 -5.1340 -5.1340 -5.0015 -5.0015 1.5374 1.5374 2.6636 2.6636 3.6207 3.6207 3.7352 3.7352 3.8811 3.8811 4.4892 4.4892 4.5361 4.5361 4.9455 4.9455 5.3201 5.3201 5.4791 5.4791 5.7611 5.7611 6.0858 6.0858 6.4705 6.4705 6.6893 6.6893 6.7797 6.7797 6.9120 6.9120 6.9587 6.9587 7.2359 7.2359 7.2818 7.2818 7.3921 7.3921 7.7525 7.7525 8.0733 8.0733 8.3579 8.3579 8.6888 8.6888 9.0450 9.0450 k = 0.5473 0.0823-0.5056 ( 4242 PWs) bands (ev): -7.0953 -7.0953 -6.3258 -6.3258 -5.1491 -5.1491 -5.0195 -5.0195 1.5141 1.5141 2.6807 2.6807 3.6260 3.6260 3.7364 3.7364 3.9606 3.9606 4.5009 4.5009 4.6023 4.6023 4.9661 4.9661 5.3756 5.3756 5.4830 5.4830 5.7966 5.7966 6.1338 6.1338 6.4890 6.4890 6.6853 6.6853 6.7704 6.7704 6.9149 6.9149 6.9567 6.9567 7.2103 7.2103 7.2469 7.2469 7.3708 7.3708 7.7605 7.7605 8.0776 8.0776 8.3633 8.3633 8.7261 8.7261 9.0644 9.0644 k = 0.5442 0.0818-0.4690 ( 4238 PWs) bands (ev): -7.1216 -7.1216 -6.3460 -6.3460 -5.1634 -5.1634 -5.0365 -5.0365 1.4919 1.4919 2.6947 2.6947 3.6329 3.6329 3.7374 3.7374 4.0361 4.0361 4.5116 4.5116 4.6695 4.6695 4.9791 4.9791 5.4400 5.4400 5.4870 5.4870 5.8335 5.8335 6.1759 6.1759 6.5052 6.5052 6.6820 6.6820 6.7587 6.7587 6.9183 6.9183 6.9547 6.9547 7.1826 7.1826 7.2110 7.2110 7.3474 7.3474 7.7688 7.7688 8.0880 8.0880 8.3677 8.3677 8.7649 8.7649 9.0796 9.0796 k = 0.5410 0.0813-0.4323 ( 4235 PWs) bands (ev): -7.1463 -7.1463 -6.3651 -6.3651 -5.1769 -5.1769 -5.0526 -5.0526 1.4708 1.4708 2.7059 2.7059 3.6411 3.6411 3.7383 3.7383 4.1072 4.1072 4.5215 4.5215 4.7376 4.7376 4.9866 4.9866 5.4879 5.4879 5.5144 5.5144 5.8718 5.8718 6.2110 6.2110 6.5193 6.5193 6.6791 6.6791 6.7451 6.7451 6.9221 6.9221 6.9525 6.9525 7.1532 7.1532 7.1763 7.1763 7.3214 7.3214 7.7768 7.7768 8.1035 8.1035 8.3711 8.3711 8.8052 8.8052 9.0941 9.0941 k = 0.5379 0.0808-0.3957 ( 4235 PWs) bands (ev): -7.1694 -7.1694 -6.3830 -6.3830 -5.1894 -5.1894 -5.0676 -5.0676 1.4510 1.4510 2.7146 2.7146 3.6504 3.6504 3.7390 3.7390 4.1736 4.1736 4.5304 4.5304 4.8063 4.8063 4.9901 4.9901 5.4919 5.4919 5.5903 5.5903 5.9112 5.9112 6.2377 6.2377 6.5309 6.5309 6.6766 6.6766 6.7306 6.7306 6.9260 6.9260 6.9496 6.9496 7.1227 7.1227 7.1440 7.1440 7.2929 7.2929 7.7842 7.7842 8.1235 8.1235 8.3736 8.3736 8.8468 8.8468 9.1082 9.1082 k = 0.5347 0.0804-0.3591 ( 4235 PWs) bands (ev): -7.1907 -7.1907 -6.3997 -6.3997 -5.2011 -5.2011 -5.0816 -5.0816 1.4325 1.4325 2.7211 2.7211 3.6604 3.6604 3.7397 3.7397 4.2353 4.2353 4.5386 4.5386 4.8754 4.8754 4.9909 4.9909 5.4946 5.4946 5.6703 5.6703 5.9517 5.9517 6.2545 6.2545 6.5400 6.5400 6.6744 6.6744 6.7168 6.7168 6.9299 6.9299 6.9459 6.9459 7.0926 7.0926 7.1148 7.1148 7.2620 7.2620 7.7905 7.7905 8.1470 8.1470 8.3753 8.3753 8.8893 8.8893 9.1217 9.1217 k = 0.5316 0.0799-0.3224 ( 4231 PWs) bands (ev): -7.2102 -7.2102 -6.4150 -6.4150 -5.2118 -5.2118 -5.0945 -5.0945 1.4155 1.4155 2.7257 2.7257 3.6708 3.6708 3.7403 3.7403 4.2923 4.2923 4.5459 4.5459 4.9446 4.9446 4.9900 4.9900 5.4970 5.4970 5.7521 5.7521 5.9931 5.9931 6.2599 6.2599 6.5468 6.5468 6.6723 6.6723 6.7054 6.7054 6.9328 6.9328 6.9413 6.9413 7.0642 7.0642 7.0888 7.0888 7.2289 7.2289 7.7958 7.7958 8.1731 8.1731 8.3765 8.3765 8.9320 8.9320 9.1345 9.1345 k = 0.5284 0.0794-0.2858 ( 4231 PWs) bands (ev): -7.2280 -7.2280 -6.4289 -6.4289 -5.2215 -5.2215 -5.1063 -5.1063 1.3998 1.3998 2.7289 2.7289 3.6812 3.6812 3.7409 3.7409 4.3444 4.3444 4.5524 4.5524 4.9857 4.9857 5.0161 5.0161 5.4990 5.4990 5.8342 5.8342 6.0350 6.0350 6.2530 6.2530 6.5515 6.5515 6.6701 6.6701 6.6981 6.6981 6.9281 6.9281 6.9409 6.9409 7.0388 7.0388 7.0664 7.0664 7.1938 7.1938 7.8000 7.8000 8.2008 8.2008 8.3772 8.3772 8.9743 8.9743 9.1466 9.1466 k = 0.5253 0.0789-0.2491 ( 4229 PWs) bands (ev): -7.2440 -7.2440 -6.4415 -6.4415 -5.2303 -5.2303 -5.1169 -5.1169 1.3857 1.3857 2.7309 2.7309 3.6913 3.6913 3.7415 3.7415 4.3915 4.3915 4.5581 4.5581 4.9830 4.9830 5.0850 5.0850 5.5007 5.5007 5.9152 5.9152 6.0770 6.0770 6.2341 6.2341 6.5550 6.5550 6.6674 6.6674 6.6955 6.6955 6.9148 6.9148 6.9444 6.9444 7.0182 7.0182 7.0476 7.0476 7.1569 7.1569 7.8030 7.8030 8.2291 8.2291 8.3775 8.3775 9.0154 9.0154 9.1578 9.1578 k = 0.5221 0.0785-0.2125 ( 4228 PWs) bands (ev): -7.2582 -7.2582 -6.4527 -6.4527 -5.2380 -5.2380 -5.1263 -5.1263 1.3731 1.3731 2.7320 2.7320 3.7007 3.7007 3.7421 3.7421 4.4336 4.4336 4.5631 4.5631 4.9791 4.9791 5.1540 5.1540 5.5022 5.5022 5.9931 5.9931 6.1178 6.1178 6.2065 6.2065 6.5580 6.5580 6.6630 6.6630 6.6972 6.6972 6.8961 6.8961 6.9482 6.9482 7.0029 7.0029 7.0318 7.0318 7.1189 7.1189 7.8053 7.8053 8.2569 8.2569 8.3777 8.3777 9.0543 9.0543 9.1679 9.1679 k = 0.5189 0.0780-0.1758 ( 4226 PWs) bands (ev): -7.2705 -7.2705 -6.4624 -6.4624 -5.2448 -5.2448 -5.1345 -5.1345 1.3622 1.3622 2.7325 2.7325 3.7092 3.7092 3.7429 3.7429 4.4706 4.4706 4.5674 4.5674 4.9749 4.9749 5.2221 5.2221 5.5035 5.5035 6.0628 6.0628 6.1476 6.1476 6.1855 6.1855 6.5611 6.5611 6.6561 6.6561 6.7026 6.7026 6.8742 6.8742 6.9518 6.9518 6.9914 6.9914 7.0188 7.0188 7.0807 7.0807 7.8068 7.8068 8.2831 8.2831 8.3779 8.3779 9.0903 9.0903 9.1770 9.1770 k = 0.5158 0.0775-0.1392 ( 4235 PWs) bands (ev): -7.2809 -7.2809 -6.4707 -6.4707 -5.2505 -5.2505 -5.1415 -5.1415 1.3528 1.3528 2.7326 2.7326 3.7164 3.7164 3.7439 3.7439 4.5023 4.5023 4.5710 4.5710 4.9707 4.9707 5.2884 5.2884 5.5045 5.5045 6.0883 6.0883 6.1630 6.1630 6.2114 6.2114 6.5644 6.5644 6.6462 6.6462 6.7105 6.7105 6.8521 6.8521 6.9544 6.9544 6.9800 6.9800 7.0079 7.0079 7.0454 7.0454 7.8077 7.8077 8.3067 8.3067 8.3783 8.3783 9.1224 9.1224 9.1850 9.1850 k = 0.5126 0.0770-0.1025 ( 4225 PWs) bands (ev): -7.2895 -7.2895 -6.4775 -6.4775 -5.2552 -5.2552 -5.1472 -5.1472 1.3451 1.3451 2.7324 2.7324 3.7221 3.7221 3.7452 3.7452 4.5285 4.5285 4.5742 4.5742 4.9668 4.9668 5.3515 5.3515 5.5054 5.5054 6.0524 6.0524 6.2166 6.2166 6.2490 6.2490 6.5679 6.5679 6.6330 6.6330 6.7205 6.7205 6.8327 6.8327 6.9503 6.9503 6.9672 6.9672 6.9997 6.9997 7.0191 7.0191 7.8082 7.8082 8.3264 8.3264 8.3795 8.3795 9.1498 9.1498 9.1918 9.1918 k = 0.5095 0.0766-0.0659 ( 4230 PWs) bands (ev): -7.2961 -7.2961 -6.4828 -6.4828 -5.2589 -5.2589 -5.1517 -5.1517 1.3391 1.3391 2.7321 2.7321 3.7262 3.7262 3.7467 3.7467 4.5487 4.5487 4.5771 4.5771 4.9633 4.9633 5.4093 5.4093 5.5062 5.5062 6.0075 6.0075 6.2688 6.2688 6.2849 6.2849 6.5713 6.5713 6.6172 6.6172 6.7326 6.7326 6.8177 6.8177 6.9230 6.9230 6.9656 6.9656 6.9945 6.9945 7.0043 7.0043 7.8083 7.8083 8.3412 8.3412 8.3816 8.3816 9.1715 9.1715 9.1975 9.1975 k = 0.5063 0.0761-0.0292 ( 4242 PWs) bands (ev): -7.3009 -7.3009 -6.4866 -6.4866 -5.2616 -5.2616 -5.1549 -5.1549 1.3348 1.3348 2.7318 2.7318 3.7287 3.7287 3.7482 3.7482 4.5623 4.5623 4.5801 4.5801 4.9607 4.9607 5.4578 5.4578 5.5072 5.5072 5.9660 5.9660 6.3100 6.3100 6.3156 6.3156 6.5738 6.5738 6.6014 6.6014 6.7468 6.7468 6.8088 6.8088 6.8869 6.8869 6.9677 6.9677 6.9916 6.9916 6.9962 6.9962 7.8084 7.8084 8.3505 8.3505 8.3848 8.3848 9.1865 9.1865 9.2026 9.2026 k = 0.5032 0.0756 0.0074 ( 4235 PWs) bands (ev): -7.3038 -7.3038 -6.4889 -6.4889 -5.2631 -5.2631 -5.1568 -5.1568 1.3323 1.3323 2.7316 2.7316 3.7301 3.7301 3.7493 3.7493 4.5692 4.5692 4.5834 4.5834 4.9590 4.9590 5.4897 5.4897 5.5102 5.5102 5.9356 5.9356 6.3355 6.3355 6.3382 6.3382 6.5731 6.5731 6.5914 6.5914 6.7610 6.7610 6.8085 6.8085 6.8519 6.8519 6.9696 6.9696 6.9901 6.9901 6.9917 6.9917 7.8083 7.8083 8.3551 8.3551 8.3879 8.3879 9.1944 9.1944 9.2070 9.2070 k = 0.5000 0.0752 0.0440 ( 4240 PWs) bands (ev): -7.3047 -7.3047 -6.4897 -6.4897 -5.2637 -5.2637 -5.1574 -5.1574 1.3314 1.3314 2.7315 2.7315 3.7305 3.7305 3.7497 3.7497 4.5711 4.5711 4.5849 4.5849 4.9584 4.9584 5.4982 5.4982 5.5146 5.5146 5.9242 5.9242 6.3436 6.3436 6.3472 6.3472 6.5711 6.5711 6.5891 6.5891 6.7673 6.7673 6.8196 6.8196 6.8270 6.8270 6.9704 6.9704 6.9894 6.9894 6.9903 6.9903 7.8081 7.8081 8.3564 8.3564 8.3892 8.3892 9.1965 9.1965 9.2090 9.2090 k = 0.5000-1.6258-0.9528 ( 4260 PWs) bands (ev): -5.7545 -5.7545 -5.6419 -5.6419 -4.4736 -4.4736 -4.3689 -4.3689 0.7856 0.7856 1.3540 1.3540 2.5503 2.5503 3.0378 3.0378 3.5951 3.5951 3.6493 3.6493 3.8753 3.8753 4.0303 4.0303 4.7564 4.7564 5.1525 5.1525 5.2108 5.2108 5.4265 5.4265 5.8280 5.8280 6.5092 6.5092 6.8957 6.8957 7.1344 7.1344 7.2105 7.2105 7.2166 7.2166 7.2767 7.2767 7.3613 7.3613 7.4443 7.4443 7.6274 7.6274 8.2943 8.2943 8.7577 8.7577 9.1320 9.1320 k = 0.5328-1.6182-0.9484 ( 4280 PWs) bands (ev): -5.7545 -5.7545 -5.6419 -5.6419 -4.4736 -4.4736 -4.3690 -4.3690 0.7855 0.7855 1.3544 1.3544 2.5493 2.5493 3.0373 3.0373 3.5951 3.5951 3.6502 3.6502 3.8760 3.8760 4.0303 4.0303 4.7567 4.7567 5.1516 5.1516 5.2114 5.2114 5.4258 5.4258 5.8276 5.8276 6.5102 6.5102 6.8946 6.8946 7.1343 7.1343 7.2103 7.2103 7.2166 7.2166 7.2767 7.2767 7.3615 7.3615 7.4442 7.4442 7.6280 7.6280 8.2945 8.2945 8.7561 8.7561 9.1285 9.1285 k = 0.5657-1.6107-0.9440 ( 4282 PWs) bands (ev): -5.7546 -5.7546 -5.6419 -5.6419 -4.4735 -4.4735 -4.3690 -4.3690 0.7853 0.7853 1.3558 1.3558 2.5465 2.5465 3.0357 3.0357 3.5951 3.5951 3.6528 3.6528 3.8784 3.8784 4.0301 4.0301 4.7579 4.7579 5.1491 5.1491 5.2131 5.2131 5.4239 5.4239 5.8266 5.8266 6.5136 6.5136 6.8916 6.8916 7.1342 7.1342 7.2100 7.2100 7.2166 7.2166 7.2768 7.2768 7.3621 7.3621 7.4441 7.4441 7.6298 7.6298 8.2953 8.2953 8.7515 8.7515 9.1189 9.1189 k = 0.5985-1.6032-0.9396 ( 4275 PWs) bands (ev): -5.7547 -5.7547 -5.6419 -5.6419 -4.4735 -4.4735 -4.3691 -4.3691 0.7850 0.7850 1.3580 1.3580 2.5418 2.5418 3.0332 3.0332 3.5952 3.5952 3.6571 3.6571 3.8823 3.8823 4.0299 4.0299 4.7599 4.7599 5.1450 5.1450 5.2159 5.2159 5.4207 5.4207 5.8250 5.8250 6.5191 6.5191 6.8868 6.8868 7.1339 7.1339 7.2097 7.2097 7.2167 7.2167 7.2770 7.2770 7.3633 7.3633 7.4438 7.4438 7.6328 7.6328 8.2966 8.2966 8.7441 8.7441 9.1051 9.1051 k = 0.6313-1.5957-0.9352 ( 4271 PWs) bands (ev): -5.7548 -5.7548 -5.6418 -5.6418 -4.4734 -4.4734 -4.3693 -4.3693 0.7847 0.7847 1.3610 1.3610 2.5357 2.5357 3.0299 3.0299 3.5953 3.5953 3.6629 3.6629 3.8872 3.8872 4.0297 4.0297 4.7628 4.7628 5.1392 5.1392 5.2199 5.2199 5.4164 5.4164 5.8230 5.8230 6.5266 6.5266 6.8800 6.8800 7.1337 7.1337 7.2092 7.2092 7.2167 7.2167 7.2772 7.2772 7.3647 7.3647 7.4434 7.4434 7.6369 7.6369 8.2986 8.2986 8.7343 8.7343 9.0887 9.0887 k = 0.6641-1.5882-0.9307 ( 4266 PWs) bands (ev): -5.7550 -5.7550 -5.6418 -5.6418 -4.4734 -4.4734 -4.3695 -4.3695 0.7842 0.7842 1.3646 1.3646 2.5283 2.5283 3.0259 3.0259 3.5954 3.5954 3.6699 3.6699 3.8930 3.8930 4.0294 4.0294 4.7665 4.7665 5.1321 5.1321 5.2248 5.2248 5.4109 5.4109 5.8206 5.8206 6.5360 6.5360 6.8715 6.8715 7.1334 7.1334 7.2088 7.2088 7.2166 7.2166 7.2775 7.2775 7.3665 7.3665 7.4430 7.4430 7.6419 7.6419 8.3010 8.3010 8.7226 8.7226 9.0710 9.0710 k = 0.6970-1.5807-0.9263 ( 4268 PWs) bands (ev): -5.7553 -5.7553 -5.6417 -5.6417 -4.4733 -4.4733 -4.3697 -4.3697 0.7838 0.7838 1.3687 1.3687 2.5201 2.5201 3.0215 3.0215 3.5955 3.5955 3.6779 3.6779 3.8993 3.8993 4.0290 4.0290 4.7711 4.7711 5.1236 5.1236 5.2307 5.2307 5.4043 5.4043 5.8180 5.8180 6.5470 6.5470 6.8614 6.8614 7.1330 7.1330 7.2082 7.2082 7.2166 7.2166 7.2777 7.2777 7.3684 7.3684 7.4425 7.4425 7.6475 7.6475 8.3039 8.3039 8.7095 8.7095 9.0526 9.0526 k = 0.7298-1.5732-0.9219 ( 4267 PWs) bands (ev): -5.7556 -5.7556 -5.6416 -5.6416 -4.4733 -4.4733 -4.3699 -4.3699 0.7833 0.7833 1.3730 1.3730 2.5114 2.5114 3.0169 3.0169 3.5957 3.5957 3.6866 3.6866 3.9055 3.9055 4.0286 4.0286 4.7765 4.7765 5.1142 5.1142 5.2376 5.2376 5.3968 5.3968 5.8153 5.8153 6.5594 6.5594 6.8498 6.8498 7.1327 7.1327 7.2077 7.2077 7.2164 7.2164 7.2781 7.2781 7.3705 7.3705 7.4419 7.4419 7.6537 7.6537 8.3072 8.3072 8.6957 8.6957 9.0344 9.0344 k = 0.7626-1.5656-0.9175 ( 4264 PWs) bands (ev): -5.7559 -5.7559 -5.6415 -5.6415 -4.4732 -4.4732 -4.3701 -4.3701 0.7829 0.7829 1.3775 1.3775 2.5027 2.5027 3.0122 3.0122 3.5959 3.5959 3.6955 3.6955 3.9115 3.9115 4.0282 4.0282 4.7827 4.7827 5.1039 5.1039 5.2453 5.2453 5.3884 5.3884 5.8128 5.8128 6.5730 6.5730 6.8371 6.8371 7.1323 7.1323 7.2072 7.2072 7.2163 7.2163 7.2784 7.2784 7.3725 7.3725 7.4413 7.4413 7.6602 7.6602 8.3109 8.3109 8.6817 8.6817 9.0166 9.0166 k = 0.7954-1.5581-0.9131 ( 4262 PWs) bands (ev): -5.7563 -5.7563 -5.6414 -5.6414 -4.4731 -4.4731 -4.3704 -4.3704 0.7826 0.7826 1.3819 1.3819 2.4944 2.4944 3.0076 3.0076 3.5960 3.5960 3.7045 3.7045 3.9168 3.9168 4.0278 4.0278 4.7894 4.7894 5.0933 5.0933 5.2537 5.2537 5.3793 5.3793 5.8105 5.8105 6.5874 6.5874 6.8234 6.8234 7.1321 7.1321 7.2068 7.2068 7.2161 7.2161 7.2787 7.2787 7.3746 7.3746 7.4407 7.4407 7.6666 7.6666 8.3149 8.3149 8.6682 8.6682 8.9999 8.9999 k = 0.8283-1.5506-0.9087 ( 4264 PWs) bands (ev): -5.7568 -5.7568 -5.6413 -5.6413 -4.4731 -4.4731 -4.3706 -4.3706 0.7824 0.7824 1.3860 1.3860 2.4867 2.4867 3.0035 3.0035 3.5962 3.5962 3.7130 3.7130 3.9211 3.9211 4.0275 4.0275 4.7963 4.7963 5.0828 5.0828 5.2628 5.2628 5.3696 5.3696 5.8086 5.8086 6.6022 6.6022 6.8092 6.8092 7.1318 7.1318 7.2065 7.2065 7.2158 7.2158 7.2789 7.2789 7.3765 7.3765 7.4401 7.4401 7.6727 7.6727 8.3189 8.3189 8.6557 8.6557 8.9844 8.9844 Writing output data file Fe3S4.save init_run : 0.46s CPU 0.69s WALL ( 1 calls) electrons : 693.71s CPU 697.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.25s WALL ( 1 calls) Called by electrons: c_bands : 693.70s CPU 697.43s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.03s WALL ( 1 calls) newd : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 326 calls) cegterg : 613.04s CPU 615.98s WALL ( 407 calls) Called by sum_band: Called by *egterg: h_psi : 598.01s CPU 600.66s WALL ( 6677 calls) s_psi : 10.83s CPU 10.86s WALL ( 6677 calls) g_psi : 0.22s CPU 0.27s WALL ( 5944 calls) cdiaghg : 59.03s CPU 59.88s WALL ( 6270 calls) cegterg:over : 7.82s CPU 7.79s WALL ( 5944 calls) cegterg:upda : 6.80s CPU 6.61s WALL ( 5944 calls) cegterg:last : 3.45s CPU 3.50s WALL ( 1232 calls) cdiaghg:chol : 3.54s CPU 3.50s WALL ( 6270 calls) cdiaghg:inve : 2.37s CPU 2.41s WALL ( 6270 calls) cdiaghg:para : 4.11s CPU 4.09s WALL ( 12540 calls) Called by h_psi: h_psi:vloc : 573.41s CPU 576.00s WALL ( 6677 calls) h_psi:vnl : 24.26s CPU 24.37s WALL ( 6677 calls) add_vuspsi : 12.94s CPU 13.05s WALL ( 6677 calls) General routines calbec : 11.28s CPU 11.29s WALL ( 6677 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 525.12s CPU 527.35s WALL ( 911264 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.25s CPU 0.43s WALL ( 652 calls) Parallel routines fft_scatter : 76.37s CPU 76.93s WALL ( 911287 calls) PWSCF : 11m52.66s CPU 12m20.39s WALL This run was terminated on: 19: 7:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=