Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:34:47 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: ./TlBiSe2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D 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 115 46 13 3578 901 143 Max 116 47 14 3580 927 146 Sum 4155 1673 485 128831 32905 5187 bravais-lattice index = 14 lattice parameter (alat) = 14.7784 a.u. unit-cell volume = 781.0555 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.778396 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.852886 celldm(5)= 0.852886 celldm(6)= 0.852886 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.852886 0.522097 0.000000 ) a(3) = ( 0.852886 0.240322 0.463499 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.633576 -0.993102 ) b(2) = ( 0.000000 1.915351 -0.993102 ) b(3) = ( 0.000000 0.000000 2.157504 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 Tl 13.00 204.38330 Tl( 1.00) Se 6.00 78.96000 Se( 1.00) Bi 15.00 208.98040 Bi( 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= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0113636 -0.0185634 -0.0112853), wk = 0.0034602 k( 3) = ( 0.0227273 -0.0371267 -0.0225705), wk = 0.0034602 k( 4) = ( 0.0340909 -0.0556901 -0.0338557), wk = 0.0034602 k( 5) = ( 0.0454546 -0.0742535 -0.0451410), wk = 0.0034602 k( 6) = ( 0.0568182 -0.0928168 -0.0564262), wk = 0.0034602 k( 7) = ( 0.0681818 -0.1113802 -0.0677115), wk = 0.0034602 k( 8) = ( 0.0795455 -0.1299436 -0.0789967), wk = 0.0034602 k( 9) = ( 0.0909091 -0.1485069 -0.0902820), wk = 0.0034602 k( 10) = ( 0.1022727 -0.1670703 -0.1015672), wk = 0.0034602 k( 11) = ( 0.1136364 -0.1856337 -0.1128525), wk = 0.0034602 k( 12) = ( 0.1250000 -0.2041970 -0.1241377), wk = 0.0034602 k( 13) = ( 0.1363636 -0.2227604 -0.1354230), wk = 0.0034602 k( 14) = ( 0.1477273 -0.2413237 -0.1467082), wk = 0.0034602 k( 15) = ( 0.1590909 -0.2598871 -0.1579935), wk = 0.0034602 k( 16) = ( 0.1704546 -0.2784505 -0.1692787), wk = 0.0034602 k( 17) = ( 0.1818182 -0.2970138 -0.1805640), wk = 0.0034602 k( 18) = ( 0.1931818 -0.3155772 -0.1918492), wk = 0.0034602 k( 19) = ( 0.2045454 -0.3341406 -0.2031345), wk = 0.0034602 k( 20) = ( 0.2159091 -0.3527039 -0.2144197), wk = 0.0034602 k( 21) = ( 0.2272727 -0.3712673 -0.2257050), wk = 0.0034602 k( 22) = ( 0.2386364 -0.3898307 -0.2369902), wk = 0.0034602 k( 23) = ( 0.2500000 -0.4083940 -0.2482755), wk = 0.0034602 k( 24) = ( 0.2613636 -0.4269574 -0.2595607), wk = 0.0034602 k( 25) = ( 0.2727273 -0.4455208 -0.2708460), wk = 0.0034602 k( 26) = ( 0.2840909 -0.4640841 -0.2821312), wk = 0.0034602 k( 27) = ( 0.2954545 -0.4826475 -0.2934165), wk = 0.0034602 k( 28) = ( 0.3068182 -0.5012109 -0.3047017), wk = 0.0034602 k( 29) = ( 0.3181818 -0.5197742 -0.3159870), wk = 0.0034602 k( 30) = ( 0.3295455 -0.5383376 -0.3272722), wk = 0.0034602 k( 31) = ( 0.3409091 -0.5569010 -0.3385575), wk = 0.0034602 k( 32) = ( 0.3522727 -0.5754643 -0.3498427), wk = 0.0034602 k( 33) = ( 0.3636364 -0.5940277 -0.3611280), wk = 0.0034602 k( 34) = ( 0.3750000 -0.6125911 -0.3724132), wk = 0.0034602 k( 35) = ( 0.3863636 -0.6311544 -0.3836985), wk = 0.0034602 k( 36) = ( 0.3977273 -0.6497178 -0.3949837), wk = 0.0034602 k( 37) = ( 0.4090909 -0.6682812 -0.4062690), wk = 0.0034602 k( 38) = ( 0.4204545 -0.6868445 -0.4175542), wk = 0.0034602 k( 39) = ( 0.4318182 -0.7054079 -0.4288395), wk = 0.0034602 k( 40) = ( 0.4431818 -0.7239713 -0.4401247), wk = 0.0034602 k( 41) = ( 0.4545455 -0.7425346 -0.4514100), wk = 0.0034602 k( 42) = ( 0.4659091 -0.7610980 -0.4626952), wk = 0.0034602 k( 43) = ( 0.4772727 -0.7796614 -0.4739805), wk = 0.0034602 k( 44) = ( 0.4886364 -0.7982247 -0.4852657), wk = 0.0034602 k( 45) = ( 0.5000000 -0.8167881 -0.4965510), wk = 0.0034602 k( 46) = ( 0.5000000 -0.8167881 -0.4965510), wk = 0.0034602 k( 47) = ( 0.5000000 -0.8041474 -0.5173438), wk = 0.0034602 k( 48) = ( 0.5000000 -0.7915068 -0.5381367), wk = 0.0034602 k( 49) = ( 0.5000000 -0.7788661 -0.5589296), wk = 0.0034602 k( 50) = ( 0.5000000 -0.7662255 -0.5797225), wk = 0.0034602 k( 51) = ( 0.5000000 -0.7535849 -0.6005154), wk = 0.0034602 k( 52) = ( 0.5000000 -0.7409442 -0.6213083), wk = 0.0034602 k( 53) = ( 0.5000000 -0.7283036 -0.6421012), wk = 0.0034602 k( 54) = ( 0.5000000 -0.7156629 -0.6628941), wk = 0.0034602 k( 55) = ( 0.5000000 -0.7030223 -0.6836870), wk = 0.0034602 k( 56) = ( 0.5000000 -0.6903816 -0.7044799), wk = 0.0034602 k( 57) = ( 0.5000000 -0.6777410 -0.7252728), wk = 0.0034602 k( 58) = ( 0.5000000 -0.6651003 -0.7460656), wk = 0.0034602 k( 59) = ( 0.5000000 -0.6524597 -0.7668585), wk = 0.0034602 k( 60) = ( 0.5000000 -0.6398190 -0.7876514), wk = 0.0034602 k( 61) = ( 0.5000000 -0.6271784 -0.8084443), wk = 0.0034602 k( 62) = ( 0.5000000 -0.6145377 -0.8292372), wk = 0.0034602 k( 63) = ( 0.5000000 -0.6018971 -0.8500301), wk = 0.0034602 k( 64) = ( 0.5000000 -0.5892564 -0.8708230), wk = 0.0034602 k( 65) = ( 0.5000000 -0.5766158 -0.8916159), wk = 0.0034602 k( 66) = ( 0.5000000 -0.5639752 -0.9124087), wk = 0.0034602 k( 67) = ( 0.5000000 -0.5513345 -0.9332016), wk = 0.0034602 k( 68) = ( 0.5000000 -0.5386939 -0.9539945), wk = 0.0034602 k( 69) = ( 0.5000000 -0.5260532 -0.9747874), wk = 0.0034602 k( 70) = ( 0.5000000 -0.5134126 -0.9955803), wk = 0.0034602 k( 71) = ( 0.5000000 -0.5007719 -1.0163732), wk = 0.0034602 k( 72) = ( 0.5000000 -0.4881313 -1.0371661), wk = 0.0034602 k( 73) = ( 0.5000000 -0.4754906 -1.0579590), wk = 0.0034602 k( 74) = ( 0.5000000 -0.4628500 -1.0787519), wk = 0.0034602 k( 75) = ( 0.8152098 -0.3740317 -0.9074519), wk = 0.0034602 k( 76) = ( 0.8085033 -0.3630759 -0.8863221), wk = 0.0034602 k( 77) = ( 0.8017966 -0.3521202 -0.8651923), wk = 0.0034602 k( 78) = ( 0.7950901 -0.3411645 -0.8440624), wk = 0.0034602 k( 79) = ( 0.7883835 -0.3302087 -0.8229326), wk = 0.0034602 k( 80) = ( 0.7816769 -0.3192530 -0.8018028), wk = 0.0034602 k( 81) = ( 0.7749703 -0.3082973 -0.7806729), wk = 0.0034602 k( 82) = ( 0.7682637 -0.2973415 -0.7595431), wk = 0.0034602 k( 83) = ( 0.7615571 -0.2863858 -0.7384133), wk = 0.0034602 k( 84) = ( 0.7548505 -0.2754301 -0.7172835), wk = 0.0034602 k( 85) = ( 0.7481439 -0.2644744 -0.6961536), wk = 0.0034602 k( 86) = ( 0.7414373 -0.2535186 -0.6750238), wk = 0.0034602 k( 87) = ( 0.7347307 -0.2425629 -0.6538940), wk = 0.0034602 k( 88) = ( 0.7280241 -0.2316072 -0.6327642), wk = 0.0034602 k( 89) = ( 0.7213175 -0.2206514 -0.6116343), wk = 0.0034602 k( 90) = ( 0.7146109 -0.2096957 -0.5905045), wk = 0.0034602 k( 91) = ( 0.7079044 -0.1987400 -0.5693747), wk = 0.0034602 k( 92) = ( 0.7011978 -0.1877843 -0.5482449), wk = 0.0034602 k( 93) = ( 0.6944912 -0.1768285 -0.5271150), wk = 0.0034602 k( 94) = ( 0.6877846 -0.1658728 -0.5059852), wk = 0.0034602 k( 95) = ( 0.6810780 -0.1549171 -0.4848554), wk = 0.0034602 k( 96) = ( 0.6743714 -0.1439613 -0.4637255), wk = 0.0034602 k( 97) = ( 0.6676648 -0.1330056 -0.4425957), wk = 0.0034602 k( 98) = ( 0.6609582 -0.1220499 -0.4214659), wk = 0.0034602 k( 99) = ( 0.6542516 -0.1110941 -0.4003360), wk = 0.0034602 k( 100) = ( 0.6475450 -0.1001384 -0.3792062), wk = 0.0034602 k( 101) = ( 0.6408384 -0.0891827 -0.3580764), wk = 0.0034602 k( 102) = ( 0.6341319 -0.0782270 -0.3369466), wk = 0.0034602 k( 103) = ( 0.6274253 -0.0672712 -0.3158167), wk = 0.0034602 k( 104) = ( 0.6207187 -0.0563155 -0.2946869), wk = 0.0034602 k( 105) = ( 0.6140121 -0.0453598 -0.2735571), wk = 0.0034602 k( 106) = ( 0.6073055 -0.0344040 -0.2524273), wk = 0.0034602 k( 107) = ( 0.6005989 -0.0234483 -0.2312974), wk = 0.0034602 k( 108) = ( 0.5938923 -0.0124926 -0.2101676), wk = 0.0034602 k( 109) = ( 0.5871857 -0.0015369 -0.1890378), wk = 0.0034602 k( 110) = ( 0.5804791 0.0094189 -0.1679080), wk = 0.0034602 k( 111) = ( 0.5737725 0.0203746 -0.1467781), wk = 0.0034602 k( 112) = ( 0.5670659 0.0313303 -0.1256483), wk = 0.0034602 k( 113) = ( 0.5603593 0.0422861 -0.1045185), wk = 0.0034602 k( 114) = ( 0.5536527 0.0532418 -0.0833886), wk = 0.0034602 k( 115) = ( 0.5469462 0.0641975 -0.0622588), wk = 0.0034602 k( 116) = ( 0.5402396 0.0751533 -0.0411290), wk = 0.0034602 k( 117) = ( 0.5335330 0.0861090 -0.0199992), wk = 0.0034602 k( 118) = ( 0.5268264 0.0970647 0.0011307), wk = 0.0034602 k( 119) = ( 0.5201198 0.1080204 0.0222605), wk = 0.0034602 k( 120) = ( 0.5134132 0.1189762 0.0433903), wk = 0.0034602 k( 121) = ( 0.5067066 0.1299319 0.0645202), wk = 0.0034602 k( 122) = ( 0.5000000 0.1408876 0.0856500), wk = 0.0034602 k( 123) = ( 0.5000000 0.1408876 0.0856500), wk = 0.0034602 k( 124) = ( 0.4772727 0.1344836 0.0817568), wk = 0.0034602 k( 125) = ( 0.4545455 0.1280797 0.0778636), wk = 0.0034602 k( 126) = ( 0.4318182 0.1216757 0.0739704), wk = 0.0034602 k( 127) = ( 0.4090909 0.1152717 0.0700773), wk = 0.0034602 k( 128) = ( 0.3863636 0.1088677 0.0661841), wk = 0.0034602 k( 129) = ( 0.3636364 0.1024637 0.0622909), wk = 0.0034602 k( 130) = ( 0.3409091 0.0960597 0.0583977), wk = 0.0034602 k( 131) = ( 0.3181818 0.0896558 0.0545045), wk = 0.0034602 k( 132) = ( 0.2954545 0.0832518 0.0506114), wk = 0.0034602 k( 133) = ( 0.2727273 0.0768478 0.0467182), wk = 0.0034602 k( 134) = ( 0.2500000 0.0704438 0.0428250), wk = 0.0034602 k( 135) = ( 0.2272727 0.0640398 0.0389318), wk = 0.0034602 k( 136) = ( 0.2045454 0.0576358 0.0350386), wk = 0.0034602 k( 137) = ( 0.1818182 0.0512319 0.0311454), wk = 0.0034602 k( 138) = ( 0.1590909 0.0448279 0.0272523), wk = 0.0034602 k( 139) = ( 0.1363636 0.0384239 0.0233591), wk = 0.0034602 k( 140) = ( 0.1136364 0.0320199 0.0194659), wk = 0.0034602 k( 141) = ( 0.0909091 0.0256159 0.0155727), wk = 0.0034602 k( 142) = ( 0.0681818 0.0192120 0.0116795), wk = 0.0034602 k( 143) = ( 0.0454546 0.0128080 0.0077864), wk = 0.0034602 k( 144) = ( 0.0227273 0.0064040 0.0038932), wk = 0.0034602 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 147) = ( 0.0067136 -0.0109672 -0.0211520), wk = 0.0034602 k( 148) = ( 0.0134273 -0.0219345 -0.0423040), wk = 0.0034602 k( 149) = ( 0.0201409 -0.0329017 -0.0634560), wk = 0.0034602 k( 150) = ( 0.0268545 -0.0438689 -0.0846080), wk = 0.0034602 k( 151) = ( 0.0335681 -0.0548361 -0.1057600), wk = 0.0034602 k( 152) = ( 0.0402818 -0.0658033 -0.1269120), wk = 0.0034602 k( 153) = ( 0.0469954 -0.0767706 -0.1480640), wk = 0.0034602 k( 154) = ( 0.0537090 -0.0877378 -0.1692160), wk = 0.0034602 k( 155) = ( 0.0604227 -0.0987050 -0.1903680), wk = 0.0034602 k( 156) = ( 0.0671363 -0.1096722 -0.2115200), wk = 0.0034602 k( 157) = ( 0.0738499 -0.1206395 -0.2326720), wk = 0.0034602 k( 158) = ( 0.0805635 -0.1316067 -0.2538240), wk = 0.0034602 k( 159) = ( 0.0872772 -0.1425739 -0.2749760), wk = 0.0034602 k( 160) = ( 0.0939908 -0.1535411 -0.2961280), wk = 0.0034602 k( 161) = ( 0.1007044 -0.1645084 -0.3172800), wk = 0.0034602 k( 162) = ( 0.1074181 -0.1754756 -0.3384319), wk = 0.0034602 k( 163) = ( 0.1141317 -0.1864428 -0.3595839), wk = 0.0034602 k( 164) = ( 0.1208453 -0.1974100 -0.3807360), wk = 0.0034602 k( 165) = ( 0.1275590 -0.2083773 -0.4018880), wk = 0.0034602 k( 166) = ( 0.1342726 -0.2193445 -0.4230400), wk = 0.0034602 k( 167) = ( 0.1409862 -0.2303117 -0.4441920), wk = 0.0034602 k( 168) = ( 0.1476998 -0.2412789 -0.4653440), wk = 0.0034602 k( 169) = ( 0.1544135 -0.2522462 -0.4864960), wk = 0.0034602 k( 170) = ( 0.1611271 -0.2632134 -0.5076480), wk = 0.0034602 k( 171) = ( 0.1678407 -0.2741806 -0.5288000), wk = 0.0034602 k( 172) = ( 0.1745544 -0.2851478 -0.5499520), wk = 0.0034602 k( 173) = ( 0.1812680 -0.2961151 -0.5711039), wk = 0.0034602 k( 174) = ( 0.1879816 -0.3070823 -0.5922559), wk = 0.0034602 k( 175) = ( 0.1946952 -0.3180495 -0.6134079), wk = 0.0034602 k( 176) = ( 0.2014089 -0.3290167 -0.6345599), wk = 0.0034602 k( 177) = ( 0.2081225 -0.3399840 -0.6557119), wk = 0.0034602 k( 178) = ( 0.2148361 -0.3509512 -0.6768639), wk = 0.0034602 k( 179) = ( 0.2215498 -0.3619184 -0.6980159), wk = 0.0034602 k( 180) = ( 0.2282634 -0.3728856 -0.7191679), wk = 0.0034602 k( 181) = ( 0.2349770 -0.3838529 -0.7403199), wk = 0.0034602 k( 182) = ( 0.2416907 -0.3948201 -0.7614719), wk = 0.0034602 k( 183) = ( 0.2484043 -0.4057873 -0.7826239), wk = 0.0034602 k( 184) = ( 0.2551179 -0.4167545 -0.8037759), wk = 0.0034602 k( 185) = ( 0.2618315 -0.4277217 -0.8249279), wk = 0.0034602 k( 186) = ( 0.2685452 -0.4386890 -0.8460799), wk = 0.0034602 k( 187) = ( 0.2752588 -0.4496562 -0.8672319), wk = 0.0034602 k( 188) = ( 0.2819724 -0.4606234 -0.8883839), wk = 0.0034602 k( 189) = ( 0.2886861 -0.4715907 -0.9095359), wk = 0.0034602 k( 190) = ( 0.2953997 -0.4825579 -0.9306879), wk = 0.0034602 k( 191) = ( 0.3021133 -0.4935251 -0.9518399), wk = 0.0034602 k( 192) = ( 0.3088269 -0.5044923 -0.9729919), wk = 0.0034602 k( 193) = ( 0.3155406 -0.5154596 -0.9941439), wk = 0.0034602 k( 194) = ( 0.3222542 -0.5264268 -1.0152959), wk = 0.0034602 k( 195) = ( 0.3289678 -0.5373940 -1.0364479), wk = 0.0034602 k( 196) = ( 0.3356814 -0.5483612 -1.0575999), wk = 0.0034602 k( 197) = ( 0.3423951 -0.5593284 -1.0787519), wk = 0.0034602 k( 198) = ( 0.6576049 -0.4184408 -0.9931019), wk = 0.0034602 k( 199) = ( 0.6510381 -0.3951355 -0.9931019), wk = 0.0034602 k( 200) = ( 0.6444712 -0.3718301 -0.9931019), wk = 0.0034602 k( 201) = ( 0.6379043 -0.3485247 -0.9931019), wk = 0.0034602 k( 202) = ( 0.6313374 -0.3252194 -0.9931019), wk = 0.0034602 k( 203) = ( 0.6247706 -0.3019141 -0.9931019), wk = 0.0034602 k( 204) = ( 0.6182037 -0.2786087 -0.9931019), wk = 0.0034602 k( 205) = ( 0.6116368 -0.2553034 -0.9931019), wk = 0.0034602 k( 206) = ( 0.6050699 -0.2319980 -0.9931019), wk = 0.0034602 k( 207) = ( 0.5985031 -0.2086926 -0.9931019), wk = 0.0034602 k( 208) = ( 0.5919362 -0.1853873 -0.9931019), wk = 0.0034602 k( 209) = ( 0.5853693 -0.1620819 -0.9931019), wk = 0.0034602 k( 210) = ( 0.5788025 -0.1387766 -0.9931019), wk = 0.0034602 k( 211) = ( 0.5722356 -0.1154713 -0.9931019), wk = 0.0034602 k( 212) = ( 0.5656687 -0.0921659 -0.9931019), wk = 0.0034602 k( 213) = ( 0.5591018 -0.0688605 -0.9931019), wk = 0.0034602 k( 214) = ( 0.5525350 -0.0455552 -0.9931019), wk = 0.0034602 k( 215) = ( 0.5459681 -0.0222498 -0.9931019), wk = 0.0034602 k( 216) = ( 0.5394012 0.0010555 -0.9931019), wk = 0.0034602 k( 217) = ( 0.5328344 0.0243609 -0.9931019), wk = 0.0034602 k( 218) = ( 0.5262675 0.0476662 -0.9931019), wk = 0.0034602 k( 219) = ( 0.5197006 0.0709716 -0.9931019), wk = 0.0034602 k( 220) = ( 0.5131337 0.0942769 -0.9931019), wk = 0.0034602 k( 221) = ( 0.5065669 0.1175823 -0.9931019), wk = 0.0034602 k( 222) = ( 0.5000000 0.1408876 -0.9931019), wk = 0.0034602 k( 223) = ( 0.5000000 0.1408876 -0.9931019), wk = 0.0034602 k( 224) = ( 0.5197006 0.1464388 -0.9823956), wk = 0.0034602 k( 225) = ( 0.5394012 0.1519899 -0.9716894), wk = 0.0034602 k( 226) = ( 0.5591018 0.1575411 -0.9609831), wk = 0.0034602 k( 227) = ( 0.5788025 0.1630922 -0.9502769), wk = 0.0034602 k( 228) = ( 0.5985031 0.1686434 -0.9395707), wk = 0.0034602 k( 229) = ( 0.6182037 0.1741945 -0.9288644), wk = 0.0034602 k( 230) = ( 0.6379043 0.1797456 -0.9181582), wk = 0.0034602 k( 231) = ( 0.6576049 0.1852968 -0.9074519), wk = 0.0034602 k( 232) = ( 0.6576049 0.1852968 -0.9074519), wk = 0.0034602 k( 233) = ( 0.6537609 0.1842136 -0.8832299), wk = 0.0034602 k( 234) = ( 0.6499169 0.1831305 -0.8590079), wk = 0.0034602 k( 235) = ( 0.6460729 0.1820473 -0.8347859), wk = 0.0034602 k( 236) = ( 0.6422288 0.1809642 -0.8105639), wk = 0.0034602 k( 237) = ( 0.6383848 0.1798810 -0.7863419), wk = 0.0034602 k( 238) = ( 0.6345408 0.1787979 -0.7621199), wk = 0.0034602 k( 239) = ( 0.6306968 0.1777147 -0.7378979), wk = 0.0034602 k( 240) = ( 0.6268527 0.1766316 -0.7136759), wk = 0.0034602 k( 241) = ( 0.6230087 0.1755484 -0.6894539), wk = 0.0034602 k( 242) = ( 0.6191647 0.1744653 -0.6652319), wk = 0.0034602 k( 243) = ( 0.6153207 0.1733821 -0.6410099), wk = 0.0034602 k( 244) = ( 0.6114766 0.1722990 -0.6167879), wk = 0.0034602 k( 245) = ( 0.6076326 0.1712158 -0.5925659), wk = 0.0034602 k( 246) = ( 0.6037886 0.1701327 -0.5683439), wk = 0.0034602 k( 247) = ( 0.5999446 0.1690495 -0.5441220), wk = 0.0034602 k( 248) = ( 0.5961006 0.1679664 -0.5199000), wk = 0.0034602 k( 249) = ( 0.5922565 0.1668832 -0.4956780), wk = 0.0034602 k( 250) = ( 0.5884125 0.1658001 -0.4714560), wk = 0.0034602 k( 251) = ( 0.5845685 0.1647169 -0.4472340), wk = 0.0034602 k( 252) = ( 0.5807245 0.1636338 -0.4230120), wk = 0.0034602 k( 253) = ( 0.5768804 0.1625506 -0.3987900), wk = 0.0034602 k( 254) = ( 0.5730364 0.1614675 -0.3745680), wk = 0.0034602 k( 255) = ( 0.5691924 0.1603843 -0.3503460), wk = 0.0034602 k( 256) = ( 0.5653484 0.1593012 -0.3261240), wk = 0.0034602 k( 257) = ( 0.5615044 0.1582180 -0.3019020), wk = 0.0034602 k( 258) = ( 0.5576603 0.1571349 -0.2776800), wk = 0.0034602 k( 259) = ( 0.5538163 0.1560517 -0.2534580), wk = 0.0034602 k( 260) = ( 0.5499723 0.1549686 -0.2292360), wk = 0.0034602 k( 261) = ( 0.5461283 0.1538854 -0.2050140), wk = 0.0034602 k( 262) = ( 0.5422843 0.1528023 -0.1807920), wk = 0.0034602 k( 263) = ( 0.5384402 0.1517191 -0.1565700), wk = 0.0034602 k( 264) = ( 0.5345962 0.1506360 -0.1323480), wk = 0.0034602 k( 265) = ( 0.5307522 0.1495528 -0.1081260), wk = 0.0034602 k( 266) = ( 0.5269082 0.1484697 -0.0839040), wk = 0.0034602 k( 267) = ( 0.5230641 0.1473865 -0.0596820), wk = 0.0034602 k( 268) = ( 0.5192201 0.1463034 -0.0354600), wk = 0.0034602 k( 269) = ( 0.5153761 0.1452202 -0.0112380), wk = 0.0034602 k( 270) = ( 0.5115321 0.1441371 0.0129840), wk = 0.0034602 k( 271) = ( 0.5076880 0.1430539 0.0372060), wk = 0.0034602 k( 272) = ( 0.5038440 0.1419708 0.0614280), wk = 0.0034602 k( 273) = ( 0.5000000 0.1408876 0.0856500), wk = 0.0034602 k( 274) = ( 0.5000000 -0.8167881 -0.4965510), wk = 0.0034602 k( 275) = ( 0.5210140 -0.8073956 -0.4908410), wk = 0.0034602 k( 276) = ( 0.5420280 -0.7980031 -0.4851310), wk = 0.0034602 k( 277) = ( 0.5630420 -0.7886106 -0.4794210), wk = 0.0034602 k( 278) = ( 0.5840560 -0.7792180 -0.4737110), wk = 0.0034602 k( 279) = ( 0.6050699 -0.7698256 -0.4680010), wk = 0.0034602 k( 280) = ( 0.6260839 -0.7604330 -0.4622910), wk = 0.0034602 k( 281) = ( 0.6470979 -0.7510405 -0.4565810), wk = 0.0034602 k( 282) = ( 0.6681119 -0.7416480 -0.4508710), wk = 0.0034602 k( 283) = ( 0.6891259 -0.7322555 -0.4451610), wk = 0.0034602 k( 284) = ( 0.7101399 -0.7228630 -0.4394510), wk = 0.0034602 k( 285) = ( 0.7311539 -0.7134705 -0.4337410), wk = 0.0034602 k( 286) = ( 0.7521679 -0.7040780 -0.4280310), wk = 0.0034602 k( 287) = ( 0.7731819 -0.6946855 -0.4223210), wk = 0.0034602 k( 288) = ( 0.7941959 -0.6852930 -0.4166110), wk = 0.0034602 k( 289) = ( 0.8152098 -0.6759005 -0.4109010), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0034602 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0034602 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0034602 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0034602 k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0034602 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0034602 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0034602 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0034602 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0034602 k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0034602 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034602 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0034602 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0034602 k( 15) = ( 0.1590909 0.0000000 -0.0000000), wk = 0.0034602 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0034602 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0034602 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0034602 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0034602 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0034602 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0034602 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0034602 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034602 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0034602 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0034602 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0034602 k( 27) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0034602 k( 28) = ( 0.3068182 -0.0000000 0.0000000), wk = 0.0034602 k( 29) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0034602 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0034602 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0034602 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0034602 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0034602 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034602 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0034602 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0034602 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0034602 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0034602 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0034602 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0034602 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0034602 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0034602 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0034602 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0034602 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 47) = ( 0.5000000 0.0065997 -0.0065996), wk = 0.0034602 k( 48) = ( 0.5000000 0.0131993 -0.0131993), wk = 0.0034602 k( 49) = ( 0.5000000 0.0197990 -0.0197989), wk = 0.0034602 k( 50) = ( 0.5000000 0.0263986 -0.0263986), wk = 0.0034602 k( 51) = ( 0.5000000 0.0329982 -0.0329982), wk = 0.0034602 k( 52) = ( 0.5000000 0.0395979 -0.0395979), wk = 0.0034602 k( 53) = ( 0.5000000 0.0461975 -0.0461975), wk = 0.0034602 k( 54) = ( 0.5000000 0.0527972 -0.0527972), wk = 0.0034602 k( 55) = ( 0.5000000 0.0593968 -0.0593968), wk = 0.0034602 k( 56) = ( 0.5000000 0.0659965 -0.0659965), wk = 0.0034602 k( 57) = ( 0.5000000 0.0725961 -0.0725961), wk = 0.0034602 k( 58) = ( 0.5000000 0.0791958 -0.0791958), wk = 0.0034602 k( 59) = ( 0.5000000 0.0857954 -0.0857954), wk = 0.0034602 k( 60) = ( 0.5000000 0.0923951 -0.0923951), wk = 0.0034602 k( 61) = ( 0.5000000 0.0989947 -0.0989947), wk = 0.0034602 k( 62) = ( 0.5000000 0.1055944 -0.1055944), wk = 0.0034602 k( 63) = ( 0.5000000 0.1121940 -0.1121940), wk = 0.0034602 k( 64) = ( 0.5000000 0.1187937 -0.1187937), wk = 0.0034602 k( 65) = ( 0.5000000 0.1253933 -0.1253933), wk = 0.0034602 k( 66) = ( 0.5000000 0.1319930 -0.1319930), wk = 0.0034602 k( 67) = ( 0.5000000 0.1385926 -0.1385926), wk = 0.0034602 k( 68) = ( 0.5000000 0.1451923 -0.1451923), wk = 0.0034602 k( 69) = ( 0.5000000 0.1517919 -0.1517919), wk = 0.0034602 k( 70) = ( 0.5000000 0.1583916 -0.1583916), wk = 0.0034602 k( 71) = ( 0.5000000 0.1649912 -0.1649912), wk = 0.0034602 k( 72) = ( 0.5000000 0.1715909 -0.1715909), wk = 0.0034602 k( 73) = ( 0.5000000 0.1781905 -0.1781905), wk = 0.0034602 k( 74) = ( 0.5000000 0.1847902 -0.1847902), wk = 0.0034602 k( 75) = ( 0.8152098 0.5000000 0.1847902), wk = 0.0034602 k( 76) = ( 0.8085033 0.5000000 0.1914968), wk = 0.0034602 k( 77) = ( 0.8017966 0.5000000 0.1982034), wk = 0.0034602 k( 78) = ( 0.7950901 0.5000000 0.2049099), wk = 0.0034602 k( 79) = ( 0.7883835 0.5000000 0.2116165), wk = 0.0034602 k( 80) = ( 0.7816769 0.5000000 0.2183231), wk = 0.0034602 k( 81) = ( 0.7749703 0.5000000 0.2250297), wk = 0.0034602 k( 82) = ( 0.7682637 0.5000000 0.2317363), wk = 0.0034602 k( 83) = ( 0.7615571 0.5000000 0.2384429), wk = 0.0034602 k( 84) = ( 0.7548505 0.5000000 0.2451495), wk = 0.0034602 k( 85) = ( 0.7481439 0.5000000 0.2518561), wk = 0.0034602 k( 86) = ( 0.7414373 0.5000000 0.2585627), wk = 0.0034602 k( 87) = ( 0.7347307 0.5000000 0.2652693), wk = 0.0034602 k( 88) = ( 0.7280241 0.5000000 0.2719759), wk = 0.0034602 k( 89) = ( 0.7213175 0.5000000 0.2786825), wk = 0.0034602 k( 90) = ( 0.7146109 0.5000000 0.2853890), wk = 0.0034602 k( 91) = ( 0.7079044 0.5000000 0.2920956), wk = 0.0034602 k( 92) = ( 0.7011978 0.5000000 0.2988022), wk = 0.0034602 k( 93) = ( 0.6944912 0.5000000 0.3055088), wk = 0.0034602 k( 94) = ( 0.6877846 0.5000000 0.3122154), wk = 0.0034602 k( 95) = ( 0.6810780 0.5000000 0.3189220), wk = 0.0034602 k( 96) = ( 0.6743714 0.5000000 0.3256286), wk = 0.0034602 k( 97) = ( 0.6676648 0.5000000 0.3323352), wk = 0.0034602 k( 98) = ( 0.6609582 0.5000000 0.3390418), wk = 0.0034602 k( 99) = ( 0.6542516 0.5000000 0.3457484), wk = 0.0034602 k( 100) = ( 0.6475450 0.5000000 0.3524550), wk = 0.0034602 k( 101) = ( 0.6408384 0.5000000 0.3591616), wk = 0.0034602 k( 102) = ( 0.6341319 0.5000000 0.3658682), wk = 0.0034602 k( 103) = ( 0.6274253 0.5000000 0.3725748), wk = 0.0034602 k( 104) = ( 0.6207187 0.5000000 0.3792813), wk = 0.0034602 k( 105) = ( 0.6140121 0.5000000 0.3859879), wk = 0.0034602 k( 106) = ( 0.6073055 0.5000000 0.3926945), wk = 0.0034602 k( 107) = ( 0.6005989 0.5000000 0.3994011), wk = 0.0034602 k( 108) = ( 0.5938923 0.5000000 0.4061077), wk = 0.0034602 k( 109) = ( 0.5871857 0.5000000 0.4128143), wk = 0.0034602 k( 110) = ( 0.5804791 0.5000000 0.4195209), wk = 0.0034602 k( 111) = ( 0.5737725 0.5000000 0.4262275), wk = 0.0034602 k( 112) = ( 0.5670659 0.5000000 0.4329341), wk = 0.0034602 k( 113) = ( 0.5603593 0.5000000 0.4396407), wk = 0.0034602 k( 114) = ( 0.5536527 0.5000000 0.4463473), wk = 0.0034602 k( 115) = ( 0.5469462 0.5000000 0.4530538), wk = 0.0034602 k( 116) = ( 0.5402396 0.5000000 0.4597604), wk = 0.0034602 k( 117) = ( 0.5335330 0.5000000 0.4664670), wk = 0.0034602 k( 118) = ( 0.5268264 0.5000000 0.4731736), wk = 0.0034602 k( 119) = ( 0.5201198 0.5000000 0.4798802), wk = 0.0034602 k( 120) = ( 0.5134132 0.5000000 0.4865868), wk = 0.0034602 k( 121) = ( 0.5067066 0.5000000 0.4932934), wk = 0.0034602 k( 122) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 124) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0034602 k( 125) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0034602 k( 126) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0034602 k( 127) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034602 k( 128) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0034602 k( 129) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034602 k( 130) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0034602 k( 131) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034602 k( 132) = ( 0.2954545 0.2954545 0.2954546), wk = 0.0034602 k( 133) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034602 k( 134) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034602 k( 135) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034602 k( 136) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0034602 k( 137) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034602 k( 138) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0034602 k( 139) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034602 k( 140) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0034602 k( 141) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034602 k( 142) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0034602 k( 143) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0034602 k( 144) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0034602 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 147) = ( 0.0067136 0.0000000 -0.0067136), wk = 0.0034602 k( 148) = ( 0.0134273 0.0000000 -0.0134273), wk = 0.0034602 k( 149) = ( 0.0201409 0.0000000 -0.0201409), wk = 0.0034602 k( 150) = ( 0.0268545 0.0000000 -0.0268545), wk = 0.0034602 k( 151) = ( 0.0335681 0.0000000 -0.0335681), wk = 0.0034602 k( 152) = ( 0.0402818 -0.0000000 -0.0402818), wk = 0.0034602 k( 153) = ( 0.0469954 0.0000000 -0.0469954), wk = 0.0034602 k( 154) = ( 0.0537090 0.0000000 -0.0537090), wk = 0.0034602 k( 155) = ( 0.0604227 0.0000000 -0.0604227), wk = 0.0034602 k( 156) = ( 0.0671363 0.0000000 -0.0671363), wk = 0.0034602 k( 157) = ( 0.0738499 0.0000000 -0.0738499), wk = 0.0034602 k( 158) = ( 0.0805635 0.0000000 -0.0805635), wk = 0.0034602 k( 159) = ( 0.0872772 0.0000000 -0.0872772), wk = 0.0034602 k( 160) = ( 0.0939908 0.0000000 -0.0939908), wk = 0.0034602 k( 161) = ( 0.1007044 -0.0000000 -0.1007044), wk = 0.0034602 k( 162) = ( 0.1074181 0.0000000 -0.1074181), wk = 0.0034602 k( 163) = ( 0.1141317 -0.0000000 -0.1141317), wk = 0.0034602 k( 164) = ( 0.1208453 0.0000000 -0.1208453), wk = 0.0034602 k( 165) = ( 0.1275590 0.0000000 -0.1275590), wk = 0.0034602 k( 166) = ( 0.1342726 0.0000000 -0.1342726), wk = 0.0034602 k( 167) = ( 0.1409862 0.0000000 -0.1409862), wk = 0.0034602 k( 168) = ( 0.1476998 0.0000000 -0.1476998), wk = 0.0034602 k( 169) = ( 0.1544135 0.0000000 -0.1544135), wk = 0.0034602 k( 170) = ( 0.1611271 0.0000000 -0.1611271), wk = 0.0034602 k( 171) = ( 0.1678407 -0.0000000 -0.1678407), wk = 0.0034602 k( 172) = ( 0.1745544 0.0000000 -0.1745544), wk = 0.0034602 k( 173) = ( 0.1812680 0.0000000 -0.1812680), wk = 0.0034602 k( 174) = ( 0.1879816 0.0000000 -0.1879816), wk = 0.0034602 k( 175) = ( 0.1946952 -0.0000000 -0.1946952), wk = 0.0034602 k( 176) = ( 0.2014089 -0.0000000 -0.2014089), wk = 0.0034602 k( 177) = ( 0.2081225 0.0000000 -0.2081225), wk = 0.0034602 k( 178) = ( 0.2148361 0.0000000 -0.2148361), wk = 0.0034602 k( 179) = ( 0.2215498 0.0000000 -0.2215498), wk = 0.0034602 k( 180) = ( 0.2282634 -0.0000000 -0.2282634), wk = 0.0034602 k( 181) = ( 0.2349770 -0.0000000 -0.2349770), wk = 0.0034602 k( 182) = ( 0.2416907 0.0000000 -0.2416906), wk = 0.0034602 k( 183) = ( 0.2484043 0.0000000 -0.2484043), wk = 0.0034602 k( 184) = ( 0.2551179 0.0000000 -0.2551179), wk = 0.0034602 k( 185) = ( 0.2618315 0.0000000 -0.2618315), wk = 0.0034602 k( 186) = ( 0.2685452 0.0000000 -0.2685452), wk = 0.0034602 k( 187) = ( 0.2752588 0.0000000 -0.2752588), wk = 0.0034602 k( 188) = ( 0.2819724 0.0000000 -0.2819724), wk = 0.0034602 k( 189) = ( 0.2886861 0.0000000 -0.2886861), wk = 0.0034602 k( 190) = ( 0.2953997 0.0000000 -0.2953997), wk = 0.0034602 k( 191) = ( 0.3021133 0.0000000 -0.3021133), wk = 0.0034602 k( 192) = ( 0.3088269 0.0000000 -0.3088269), wk = 0.0034602 k( 193) = ( 0.3155406 0.0000000 -0.3155406), wk = 0.0034602 k( 194) = ( 0.3222542 0.0000000 -0.3222542), wk = 0.0034602 k( 195) = ( 0.3289678 0.0000000 -0.3289678), wk = 0.0034602 k( 196) = ( 0.3356814 0.0000000 -0.3356814), wk = 0.0034602 k( 197) = ( 0.3423951 0.0000000 -0.3423951), wk = 0.0034602 k( 198) = ( 0.6576049 0.3423951 0.0000000), wk = 0.0034602 k( 199) = ( 0.6510381 0.3489620 0.0000000), wk = 0.0034602 k( 200) = ( 0.6444712 0.3555288 0.0000000), wk = 0.0034602 k( 201) = ( 0.6379043 0.3620957 0.0000000), wk = 0.0034602 k( 202) = ( 0.6313374 0.3686626 -0.0000000), wk = 0.0034602 k( 203) = ( 0.6247706 0.3752294 -0.0000000), wk = 0.0034602 k( 204) = ( 0.6182037 0.3817963 0.0000000), wk = 0.0034602 k( 205) = ( 0.6116368 0.3883632 0.0000000), wk = 0.0034602 k( 206) = ( 0.6050699 0.3949300 0.0000000), wk = 0.0034602 k( 207) = ( 0.5985031 0.4014969 0.0000000), wk = 0.0034602 k( 208) = ( 0.5919362 0.4080638 -0.0000000), wk = 0.0034602 k( 209) = ( 0.5853693 0.4146307 -0.0000000), wk = 0.0034602 k( 210) = ( 0.5788025 0.4211975 0.0000000), wk = 0.0034602 k( 211) = ( 0.5722356 0.4277644 0.0000000), wk = 0.0034602 k( 212) = ( 0.5656687 0.4343313 -0.0000000), wk = 0.0034602 k( 213) = ( 0.5591018 0.4408982 0.0000000), wk = 0.0034602 k( 214) = ( 0.5525350 0.4474650 0.0000000), wk = 0.0034602 k( 215) = ( 0.5459681 0.4540319 0.0000000), wk = 0.0034602 k( 216) = ( 0.5394012 0.4605988 0.0000000), wk = 0.0034602 k( 217) = ( 0.5328344 0.4671656 0.0000000), wk = 0.0034602 k( 218) = ( 0.5262675 0.4737325 0.0000000), wk = 0.0034602 k( 219) = ( 0.5197006 0.4802994 -0.0000000), wk = 0.0034602 k( 220) = ( 0.5131337 0.4868663 0.0000000), wk = 0.0034602 k( 221) = ( 0.5065669 0.4934331 0.0000000), wk = 0.0034602 k( 222) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 224) = ( 0.5197006 0.5197006 0.0230988), wk = 0.0034602 k( 225) = ( 0.5394012 0.5394012 0.0461975), wk = 0.0034602 k( 226) = ( 0.5591018 0.5591018 0.0692963), wk = 0.0034602 k( 227) = ( 0.5788025 0.5788025 0.0923951), wk = 0.0034602 k( 228) = ( 0.5985031 0.5985031 0.1154939), wk = 0.0034602 k( 229) = ( 0.6182037 0.6182037 0.1385926), wk = 0.0034602 k( 230) = ( 0.6379043 0.6379043 0.1616914), wk = 0.0034602 k( 231) = ( 0.6576049 0.6576049 0.1847902), wk = 0.0034602 k( 232) = ( 0.6576049 0.6576049 0.1847902), wk = 0.0034602 k( 233) = ( 0.6537609 0.6537609 0.1924782), wk = 0.0034602 k( 234) = ( 0.6499169 0.6499169 0.2001663), wk = 0.0034602 k( 235) = ( 0.6460729 0.6460729 0.2078543), wk = 0.0034602 k( 236) = ( 0.6422288 0.6422288 0.2155423), wk = 0.0034602 k( 237) = ( 0.6383848 0.6383848 0.2232304), wk = 0.0034602 k( 238) = ( 0.6345408 0.6345408 0.2309184), wk = 0.0034602 k( 239) = ( 0.6306968 0.6306968 0.2386065), wk = 0.0034602 k( 240) = ( 0.6268527 0.6268527 0.2462945), wk = 0.0034602 k( 241) = ( 0.6230087 0.6230087 0.2539826), wk = 0.0034602 k( 242) = ( 0.6191647 0.6191647 0.2616706), wk = 0.0034602 k( 243) = ( 0.6153207 0.6153207 0.2693587), wk = 0.0034602 k( 244) = ( 0.6114766 0.6114766 0.2770467), wk = 0.0034602 k( 245) = ( 0.6076326 0.6076326 0.2847348), wk = 0.0034602 k( 246) = ( 0.6037886 0.6037886 0.2924228), wk = 0.0034602 k( 247) = ( 0.5999446 0.5999446 0.3001108), wk = 0.0034602 k( 248) = ( 0.5961006 0.5961006 0.3077989), wk = 0.0034602 k( 249) = ( 0.5922565 0.5922565 0.3154869), wk = 0.0034602 k( 250) = ( 0.5884125 0.5884125 0.3231750), wk = 0.0034602 k( 251) = ( 0.5845685 0.5845685 0.3308630), wk = 0.0034602 k( 252) = ( 0.5807245 0.5807245 0.3385511), wk = 0.0034602 k( 253) = ( 0.5768804 0.5768804 0.3462391), wk = 0.0034602 k( 254) = ( 0.5730364 0.5730364 0.3539272), wk = 0.0034602 k( 255) = ( 0.5691924 0.5691924 0.3616152), wk = 0.0034602 k( 256) = ( 0.5653484 0.5653484 0.3693032), wk = 0.0034602 k( 257) = ( 0.5615044 0.5615044 0.3769913), wk = 0.0034602 k( 258) = ( 0.5576603 0.5576603 0.3846793), wk = 0.0034602 k( 259) = ( 0.5538163 0.5538163 0.3923674), wk = 0.0034602 k( 260) = ( 0.5499723 0.5499723 0.4000554), wk = 0.0034602 k( 261) = ( 0.5461283 0.5461283 0.4077435), wk = 0.0034602 k( 262) = ( 0.5422843 0.5422843 0.4154315), wk = 0.0034602 k( 263) = ( 0.5384402 0.5384402 0.4231196), wk = 0.0034602 k( 264) = ( 0.5345962 0.5345962 0.4308076), wk = 0.0034602 k( 265) = ( 0.5307522 0.5307522 0.4384956), wk = 0.0034602 k( 266) = ( 0.5269082 0.5269082 0.4461837), wk = 0.0034602 k( 267) = ( 0.5230641 0.5230641 0.4538717), wk = 0.0034602 k( 268) = ( 0.5192201 0.5192201 0.4615598), wk = 0.0034602 k( 269) = ( 0.5153761 0.5153761 0.4692478), wk = 0.0034602 k( 270) = ( 0.5115321 0.5115321 0.4769359), wk = 0.0034602 k( 271) = ( 0.5076880 0.5076880 0.4846239), wk = 0.0034602 k( 272) = ( 0.5038440 0.5038440 0.4923120), wk = 0.0034602 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 274) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 275) = ( 0.5210140 0.0228263 0.0228263), wk = 0.0034602 k( 276) = ( 0.5420280 0.0456527 0.0456527), wk = 0.0034602 k( 277) = ( 0.5630420 0.0684790 0.0684790), wk = 0.0034602 k( 278) = ( 0.5840560 0.0913054 0.0913054), wk = 0.0034602 k( 279) = ( 0.6050699 0.1141317 0.1141317), wk = 0.0034602 k( 280) = ( 0.6260839 0.1369580 0.1369580), wk = 0.0034602 k( 281) = ( 0.6470979 0.1597844 0.1597844), wk = 0.0034602 k( 282) = ( 0.6681119 0.1826107 0.1826107), wk = 0.0034602 k( 283) = ( 0.6891259 0.2054371 0.2054371), wk = 0.0034602 k( 284) = ( 0.7101399 0.2282634 0.2282634), wk = 0.0034602 k( 285) = ( 0.7311539 0.2510897 0.2510897), wk = 0.0034602 k( 286) = ( 0.7521679 0.2739161 0.2739161), wk = 0.0034602 k( 287) = ( 0.7731819 0.2967424 0.2967424), wk = 0.0034602 k( 288) = ( 0.7941959 0.3195687 0.3195687), wk = 0.0034602 k( 289) = ( 0.8152098 0.3423951 0.3423951), wk = 0.0034602 Dense grid: 128831 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 32905 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 234, 48) NL pseudopotentials 0.17 Mb ( 117, 96) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.03 Mb ( 3580) G-vector shells 0.02 Mb ( 2971) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 234, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.14 Mb ( 96, 2, 48) The potential is recalculated from file : ./TlBiSe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.0 secs Computing kpt #: 24 total cpu time spent up to now is 16.5 secs Computing kpt #: 25 total cpu time spent up to now is 17.1 secs Computing kpt #: 26 total cpu time spent up to now is 17.6 secs Computing kpt #: 27 total cpu time spent up to now is 18.2 secs Computing kpt #: 28 total cpu time spent up to now is 18.7 secs Computing kpt #: 29 total cpu time spent up to now is 19.3 secs Computing kpt #: 30 total cpu time spent up to now is 19.9 secs Computing kpt #: 31 total cpu time spent up to now is 20.4 secs Computing kpt #: 32 total cpu time spent up to now is 20.9 secs Computing kpt #: 33 total cpu time spent up to now is 21.5 secs Computing kpt #: 34 total cpu time spent up to now is 22.0 secs Computing kpt #: 35 total cpu time spent up to now is 22.6 secs Computing kpt #: 36 total cpu time spent up to now is 23.1 secs Computing kpt #: 37 total cpu time spent up to now is 23.7 secs Computing kpt #: 38 total cpu time spent up to now is 24.3 secs Computing kpt #: 39 total cpu time spent up to now is 24.8 secs Computing kpt #: 40 total cpu time spent up to now is 25.4 secs Computing kpt #: 41 total cpu time spent up to now is 25.9 secs Computing kpt #: 42 total cpu time spent up to now is 26.5 secs Computing kpt #: 43 total cpu time spent up to now is 27.1 secs Computing kpt #: 44 total cpu time spent up to now is 27.6 secs Computing kpt #: 45 total cpu time spent up to now is 28.2 secs Computing kpt #: 46 total cpu time spent up to now is 28.7 secs Computing kpt #: 47 total cpu time spent up to now is 29.3 secs Computing kpt #: 48 total cpu time spent up to now is 29.9 secs Computing kpt #: 49 total cpu time spent up to now is 30.4 secs Computing kpt #: 50 total cpu time spent up to now is 31.0 secs Computing kpt #: 51 total cpu time spent up to now is 31.6 secs Computing kpt #: 52 total cpu time spent up to now is 32.2 secs Computing kpt #: 53 total cpu time spent up to now is 32.7 secs Computing kpt #: 54 total cpu time spent up to now is 33.3 secs Computing kpt #: 55 total cpu time spent up to now is 33.9 secs Computing kpt #: 56 total cpu time spent up to now is 34.5 secs Computing kpt #: 57 total cpu time spent up to now is 35.1 secs Computing kpt #: 58 total cpu time spent up to now is 35.6 secs Computing kpt #: 59 total cpu time spent up to now is 36.2 secs Computing kpt #: 60 total cpu time spent up to now is 36.8 secs Computing kpt #: 61 total cpu time spent up to now is 37.4 secs Computing kpt #: 62 total cpu time spent up to now is 38.0 secs Computing kpt #: 63 total cpu time spent up to now is 38.5 secs Computing kpt #: 64 total cpu time spent up to now is 39.1 secs Computing kpt #: 65 total cpu time spent up to now is 39.7 secs Computing kpt #: 66 total cpu time spent up to now is 40.2 secs Computing kpt #: 67 total cpu time spent up to now is 40.8 secs Computing kpt #: 68 total cpu time spent up to now is 41.4 secs Computing kpt #: 69 total cpu time spent up to now is 41.9 secs Computing kpt #: 70 total cpu time spent up to now is 42.5 secs Computing kpt #: 71 total cpu time spent up to now is 43.0 secs Computing kpt #: 72 total cpu time spent up to now is 43.5 secs Computing kpt #: 73 total cpu time spent up to now is 44.1 secs Computing kpt #: 74 total cpu time spent up to now is 44.6 secs Computing kpt #: 75 total cpu time spent up to now is 45.2 secs Computing kpt #: 76 total cpu time spent up to now is 45.7 secs Computing kpt #: 77 total cpu time spent up to now is 46.3 secs Computing kpt #: 78 total cpu time spent up to now is 46.8 secs Computing kpt #: 79 total cpu time spent up to now is 47.4 secs Computing kpt #: 80 total cpu time spent up to now is 47.9 secs Computing kpt #: 81 total cpu time spent up to now is 48.5 secs Computing kpt #: 82 total cpu time spent up to now is 49.1 secs Computing kpt #: 83 total cpu time spent up to now is 49.7 secs Computing kpt #: 84 total cpu time spent up to now is 50.3 secs Computing kpt #: 85 total cpu time spent up to now is 50.8 secs Computing kpt #: 86 total cpu time spent up to now is 51.4 secs Computing kpt #: 87 total cpu time spent up to now is 52.0 secs Computing kpt #: 88 total cpu time spent up to now is 52.6 secs Computing kpt #: 89 total cpu time spent up to now is 53.1 secs Computing kpt #: 90 total cpu time spent up to now is 53.7 secs Computing kpt #: 91 total cpu time spent up to now is 54.3 secs Computing kpt #: 92 total cpu time spent up to now is 54.9 secs Computing kpt #: 93 total cpu time spent up to now is 55.5 secs Computing kpt #: 94 total cpu time spent up to now is 56.1 secs Computing kpt #: 95 total cpu time spent up to now is 56.7 secs Computing kpt #: 96 total cpu time spent up to now is 57.3 secs Computing kpt #: 97 total cpu time spent up to now is 57.9 secs Computing kpt #: 98 total cpu time spent up to now is 58.5 secs Computing kpt #: 99 total cpu time spent up to now is 59.1 secs Computing kpt #: 100 total cpu time spent up to now is 59.6 secs Computing kpt #: 101 total cpu time spent up to now is 60.2 secs Computing kpt #: 102 total cpu time spent up to now is 60.8 secs Computing kpt #: 103 total cpu time spent up to now is 61.3 secs Computing kpt #: 104 total cpu time spent up to now is 61.9 secs Computing kpt #: 105 total cpu time spent up to now is 62.4 secs Computing kpt #: 106 total cpu time spent up to now is 63.0 secs Computing kpt #: 107 total cpu time spent up to now is 63.6 secs Computing kpt #: 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up to now is 72.2 secs Computing kpt #: 124 total cpu time spent up to now is 72.7 secs Computing kpt #: 125 total cpu time spent up to now is 73.2 secs Computing kpt #: 126 total cpu time spent up to now is 73.7 secs Computing kpt #: 127 total cpu time spent up to now is 74.2 secs Computing kpt #: 128 total cpu time spent up to now is 74.7 secs Computing kpt #: 129 total cpu time spent up to now is 75.2 secs Computing kpt #: 130 total cpu time spent up to now is 75.8 secs Computing kpt #: 131 total cpu time spent up to now is 76.3 secs Computing kpt #: 132 total cpu time spent up to now is 76.8 secs Computing kpt #: 133 total cpu time spent up to now is 77.3 secs Computing kpt #: 134 total cpu time spent up to now is 77.8 secs Computing kpt #: 135 total cpu time spent up to now is 78.3 secs Computing kpt #: 136 total cpu time spent up to now is 78.8 secs Computing kpt #: 137 total cpu time spent up to now is 79.3 secs Computing kpt #: 138 total cpu time spent up to now is 79.8 secs Computing kpt #: 139 total cpu time spent up to now is 80.3 secs Computing kpt #: 140 total cpu time spent up to now is 80.7 secs Computing kpt #: 141 total cpu time spent up to now is 81.2 secs Computing kpt #: 142 total cpu time spent up to now is 81.7 secs Computing kpt #: 143 total cpu time spent up to now is 82.2 secs Computing kpt #: 144 total cpu time spent up to now is 82.7 secs Computing kpt #: 145 total cpu time spent up to now is 83.2 secs Computing kpt #: 146 total cpu time spent up to now is 83.7 secs Computing kpt #: 147 total cpu time spent up to now is 84.2 secs Computing kpt #: 148 total cpu time spent up to now is 84.7 secs Computing kpt #: 149 total cpu time spent up to now is 85.2 secs Computing kpt #: 150 total cpu time spent up to now is 85.7 secs Computing kpt #: 151 total cpu time spent up to now is 86.2 secs Computing kpt #: 152 total cpu time spent up to now is 86.7 secs Computing kpt #: 153 total cpu time spent up to now is 87.2 secs Computing kpt #: 154 total cpu time spent up to now is 87.8 secs Computing kpt #: 155 total cpu time spent up to now is 88.3 secs Computing kpt #: 156 total cpu time spent up to now is 88.8 secs Computing kpt #: 157 total cpu time spent up to now is 89.3 secs Computing kpt #: 158 total cpu time spent up to now is 89.9 secs Computing kpt #: 159 total cpu time spent up to now is 90.4 secs Computing kpt #: 160 total cpu time spent up to now is 91.0 secs Computing kpt #: 161 total cpu time spent up to now is 91.5 secs Computing kpt #: 162 total cpu time spent up to now is 92.1 secs Computing kpt #: 163 total cpu time spent up to now is 92.6 secs Computing kpt #: 164 total cpu time spent up to now is 93.2 secs Computing kpt #: 165 total cpu time spent up to now is 93.7 secs Computing kpt #: 166 total cpu time spent up to now is 94.3 secs Computing kpt #: 167 total cpu time spent up to now is 94.8 secs Computing kpt #: 168 total cpu time spent up to now is 95.4 secs Computing kpt #: 169 total cpu time spent up 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secs Computing kpt #: 185 total cpu time spent up to now is 105.1 secs Computing kpt #: 186 total cpu time spent up to now is 105.6 secs Computing kpt #: 187 total cpu time spent up to now is 106.2 secs Computing kpt #: 188 total cpu time spent up to now is 106.8 secs Computing kpt #: 189 total cpu time spent up to now is 107.3 secs Computing kpt #: 190 total cpu time spent up to now is 107.9 secs Computing kpt #: 191 total cpu time spent up to now is 108.4 secs Computing kpt #: 192 total cpu time spent up to now is 109.0 secs Computing kpt #: 193 total cpu time spent up to now is 109.5 secs Computing kpt #: 194 total cpu time spent up to now is 110.1 secs Computing kpt #: 195 total cpu time spent up to now is 110.6 secs Computing kpt #: 196 total cpu time spent up to now is 111.2 secs Computing kpt #: 197 total cpu time spent up to now is 111.7 secs Computing kpt #: 198 total cpu time spent up to now is 112.3 secs Computing kpt #: 199 total cpu time spent up to now is 112.8 secs Computing kpt #: 200 total cpu time spent up to now is 113.4 secs Computing kpt #: 201 total cpu time spent up to now is 114.0 secs Computing kpt #: 202 total cpu time spent up to now is 114.6 secs Computing kpt #: 203 total cpu time spent up to now is 115.2 secs Computing kpt #: 204 total cpu time spent up to now is 115.7 secs Computing kpt #: 205 total cpu time spent up to now is 116.3 secs Computing kpt #: 206 total cpu time spent up to now is 116.8 secs Computing kpt #: 207 total cpu time spent up to now is 117.4 secs Computing kpt #: 208 total cpu time spent up to now is 117.9 secs Computing kpt #: 209 total cpu time spent up to now is 118.5 secs Computing kpt #: 210 total cpu time spent up to now is 119.0 secs Computing kpt #: 211 total cpu time spent up to now is 119.6 secs Computing kpt #: 212 total cpu time spent up to now is 120.2 secs Computing kpt #: 213 total cpu time spent up to now is 120.7 secs Computing kpt #: 214 total cpu time spent up to now is 121.3 secs Computing kpt #: 215 total cpu time spent up to now is 121.9 secs Computing kpt #: 216 total cpu time spent up to now is 122.4 secs Computing kpt #: 217 total cpu time spent up to now is 123.0 secs Computing kpt #: 218 total cpu time spent up to now is 123.7 secs Computing kpt #: 219 total cpu time spent up to now is 124.4 secs Computing kpt #: 220 total cpu time spent up to now is 125.1 secs Computing kpt #: 221 total cpu time spent up to now is 125.7 secs Computing kpt #: 222 total cpu time spent up to now is 126.4 secs Computing kpt #: 223 total cpu time spent up to now is 127.1 secs Computing kpt #: 224 total cpu time spent up to now is 127.8 secs Computing kpt #: 225 total cpu time spent up to now is 128.5 secs Computing kpt #: 226 total cpu time spent up to now is 129.1 secs Computing kpt #: 227 total cpu time spent up to now is 129.8 secs Computing kpt #: 228 total cpu time spent up to now is 130.5 secs Computing kpt #: 229 total cpu time spent up to now is 131.2 secs Computing kpt #: 230 total cpu time spent up to now is 131.9 secs Computing kpt #: 231 total cpu time spent up to now is 132.6 secs Computing kpt #: 232 total cpu time spent up to now is 133.3 secs Computing kpt #: 233 total cpu time spent up to now is 134.0 secs Computing kpt #: 234 total cpu time spent up to now is 134.7 secs Computing kpt #: 235 total cpu time spent up to now is 135.4 secs Computing kpt #: 236 total cpu time spent up to now is 136.1 secs Computing kpt #: 237 total cpu time spent up to now is 136.8 secs Computing kpt #: 238 total cpu time spent up to now is 137.3 secs Computing kpt #: 239 total cpu time spent up to now is 137.9 secs Computing kpt #: 240 total cpu time spent up to now is 138.5 secs Computing kpt #: 241 total cpu time spent up to now is 139.1 secs Computing kpt #: 242 total cpu time spent up to now is 139.7 secs Computing kpt #: 243 total cpu time spent up to now is 140.2 secs Computing kpt #: 244 total cpu time spent up to now is 140.8 secs Computing kpt #: 245 total cpu time spent up to now is 141.4 secs Computing kpt #: 246 total cpu time spent up to now is 141.9 secs Computing kpt #: 247 total cpu time spent up to now is 142.5 secs Computing kpt #: 248 total cpu time spent up to now is 143.0 secs Computing kpt #: 249 total cpu time spent up to now is 143.6 secs Computing kpt #: 250 total cpu time spent up to now is 144.2 secs Computing kpt #: 251 total cpu time spent up to now is 144.7 secs Computing kpt #: 252 total cpu time spent up to now is 145.3 secs Computing kpt #: 253 total cpu time spent up to now is 145.9 secs Computing kpt #: 254 total cpu time spent up to now is 146.4 secs Computing kpt #: 255 total cpu time spent up to now is 147.0 secs Computing kpt #: 256 total cpu time spent up to now is 147.5 secs Computing kpt #: 257 total cpu time spent up to now is 148.1 secs Computing kpt #: 258 total cpu time spent up to now is 148.7 secs Computing kpt #: 259 total cpu time spent up to now is 149.2 secs Computing kpt #: 260 total cpu time spent up to now is 149.8 secs Computing kpt #: 261 total cpu time spent up to now is 150.3 secs Computing kpt #: 262 total cpu time spent up to now is 150.9 secs Computing kpt #: 263 total cpu time spent up to now is 151.5 secs Computing kpt #: 264 total cpu time spent up to now is 152.0 secs Computing kpt #: 265 total cpu time spent up to now is 152.5 secs Computing kpt #: 266 total cpu time spent up to now is 153.1 secs Computing kpt #: 267 total cpu time spent up to now is 153.6 secs Computing kpt #: 268 total cpu time spent up to now is 154.2 secs Computing kpt #: 269 total cpu time spent up to now is 154.7 secs Computing kpt #: 270 total cpu time spent up to now is 155.2 secs Computing kpt #: 271 total cpu time spent up to now is 155.7 secs Computing kpt #: 272 total cpu time spent up to now is 156.2 secs Computing kpt #: 273 total cpu time spent up to now is 156.7 secs Computing kpt #: 274 total cpu time spent up to now is 157.3 secs Computing kpt #: 275 total cpu time spent up to now is 157.9 secs Computing kpt #: 276 total cpu time spent up to now is 158.4 secs Computing kpt #: 277 total cpu time spent up to now is 159.0 secs Computing kpt #: 278 total cpu time spent up to now is 159.6 secs Computing kpt #: 279 total cpu time spent up to now is 160.1 secs Computing kpt #: 280 total cpu time spent up to now is 160.7 secs Computing kpt #: 281 total cpu time spent up to now is 161.3 secs Computing kpt #: 282 total cpu time spent up to now is 161.8 secs Computing kpt #: 283 total cpu time spent up to now is 162.4 secs Computing kpt #: 284 total cpu time spent up to now is 163.0 secs Computing kpt #: 285 total cpu time spent up to now is 163.5 secs Computing kpt #: 286 total cpu time spent up to now is 164.1 secs Computing kpt #: 287 total cpu time spent up to now is 164.7 secs Computing kpt #: 288 total cpu time spent up to now is 165.3 secs Computing kpt #: 289 total cpu time spent up to now is 166.0 secs ethr = 2.50E-08, avg # of iterations = 16.7 total cpu time spent up to now is 166.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4739 -6.4739 -4.7087 -4.7087 -4.2667 -4.2667 -4.2279 -4.2279 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -1.0128 -1.0128 2.3329 2.3329 5.0141 5.0141 5.9387 5.9387 6.0455 6.0455 6.2243 6.2243 6.4508 6.4508 7.6641 7.6641 7.7478 7.7478 9.3634 9.3634 10.2163 10.2163 11.9346 11.9346 k = 0.0114-0.0186-0.0113 ( 4089 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4727 -6.4727 -4.7084 -4.7084 -4.2666 -4.2666 -4.2278 -4.2278 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -1.0136 -1.0136 2.3306 2.3306 5.0134 5.0134 5.9335 5.9335 6.0415 6.0415 6.2260 6.2260 6.4467 6.4467 7.6598 7.6598 7.7579 7.7579 9.3705 9.3705 10.2219 10.2219 11.9297 11.9297 k = 0.0227-0.0371-0.0226 ( 4090 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6062 -13.6062 -13.6009 -13.6009 -6.4694 -6.4694 -4.7076 -4.7076 -4.2663 -4.2663 -4.2275 -4.2275 -2.1106 -2.1106 -2.0602 -2.0602 -2.0485 -2.0485 -1.0158 -1.0158 2.3236 2.3236 5.0112 5.0112 5.9156 5.9156 6.0328 6.0328 6.2300 6.2300 6.4360 6.4360 7.6454 7.6454 7.7885 7.7885 9.3913 9.3913 10.2387 10.2387 11.9152 11.9152 k = 0.0341-0.0557-0.0339 ( 4087 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6063 -13.6063 -13.6009 -13.6009 -6.4638 -6.4638 -4.7063 -4.7063 -4.2658 -4.2658 -4.2269 -4.2269 -2.1102 -2.1102 -2.0600 -2.0600 -2.0484 -2.0484 -1.0195 -1.0195 2.3124 2.3124 5.0068 5.0068 5.8807 5.8807 6.0256 6.0256 6.2333 6.2333 6.4229 6.4229 7.6206 7.6206 7.8381 7.8381 9.4246 9.4246 10.2663 10.2663 11.8912 11.8912 k = 0.0455-0.0743-0.0451 ( 4089 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6196 -13.6196 -13.6064 -13.6064 -13.6008 -13.6008 -6.4561 -6.4561 -4.7045 -4.7045 -4.2652 -4.2652 -4.2260 -4.2260 -2.1098 -2.1098 -2.0597 -2.0597 -2.0484 -2.0484 -1.0248 -1.0248 2.2971 2.2971 4.9993 4.9993 5.8278 5.8278 6.0230 6.0230 6.2342 6.2342 6.4122 6.4122 7.5868 7.5868 7.9026 7.9026 9.4689 9.4689 10.3046 10.3046 11.8580 11.8580 k = 0.0568-0.0928-0.0564 ( 4098 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6065 -13.6065 -13.6007 -13.6007 -6.4461 -6.4461 -4.7021 -4.7021 -4.2643 -4.2643 -4.2249 -4.2249 -2.1092 -2.1092 -2.0593 -2.0593 -2.0483 -2.0483 -1.0318 -1.0318 2.2784 2.2784 4.9874 4.9874 5.7597 5.7597 6.0241 6.0241 6.2328 6.2328 6.4067 6.4067 7.5459 7.5459 7.9780 7.9780 9.5222 9.5222 10.3526 10.3526 11.8163 11.8163 k = 0.0682-0.1114-0.0677 ( 4098 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6066 -13.6066 -13.6005 -13.6005 -6.4339 -6.4339 -4.6993 -4.6993 -4.2634 -4.2634 -4.2235 -4.2235 -2.1085 -2.1085 -2.0589 -2.0589 -2.0481 -2.0481 -1.0406 -1.0406 2.2569 2.2569 4.9697 4.9697 5.6805 5.6805 6.0267 6.0267 6.2315 6.2315 6.4064 6.4064 7.4997 7.4997 8.0609 8.0609 9.5827 9.5827 10.4093 10.4093 11.7668 11.7668 k = 0.0795-0.1299-0.0790 ( 4109 PWs) bands (ev): -16.5818 -16.5818 -16.5801 -16.5801 -13.6196 -13.6196 -13.6068 -13.6068 -13.6004 -13.6004 -6.4195 -6.4195 -4.6960 -4.6960 -4.2624 -4.2624 -4.2218 -4.2218 -2.1077 -2.1077 -2.0584 -2.0584 -2.0480 -2.0480 -1.0512 -1.0512 2.2332 2.2332 4.9447 4.9447 5.5940 5.5940 6.0282 6.0282 6.2340 6.2340 6.4102 6.4102 7.4497 7.4497 8.1486 8.1486 9.6485 9.6485 10.4730 10.4730 11.7110 11.7110 k = 0.0909-0.1485-0.0903 ( 4113 PWs) bands (ev): -16.5818 -16.5818 -16.5800 -16.5800 -13.6195 -13.6195 -13.6070 -13.6070 -13.6002 -13.6002 -6.4029 -6.4029 -4.6923 -4.6923 -4.2613 -4.2613 -4.2197 -4.2197 -2.1069 -2.1069 -2.0578 -2.0578 -2.0478 -2.0478 -1.0638 -1.0638 2.2081 2.2081 4.9109 4.9109 5.5042 5.5042 6.0266 6.0266 6.2430 6.2430 6.4166 6.4166 7.3975 7.3975 8.2390 8.2390 9.7181 9.7181 10.5408 10.5408 11.6510 11.6510 k = 0.1023-0.1671-0.1016 ( 4114 PWs) bands (ev): -16.5818 -16.5818 -16.5799 -16.5799 -13.6195 -13.6195 -13.6072 -13.6072 -13.5999 -13.5999 -6.3842 -6.3842 -4.6882 -4.6882 -4.2601 -4.2601 -4.2173 -4.2173 -2.1060 -2.1060 -2.0572 -2.0572 -2.0476 -2.0476 -1.0786 -1.0786 2.1823 2.1823 4.8667 4.8667 5.4146 5.4146 6.0205 6.0205 6.2592 6.2592 6.4252 6.4252 7.3445 7.3445 8.3307 8.3307 9.7903 9.7903 10.6088 10.6088 11.5907 11.5908 k = 0.1136-0.1856-0.1129 ( 4114 PWs) bands (ev): -16.5819 -16.5819 -16.5798 -16.5798 -13.6195 -13.6195 -13.6074 -13.6074 -13.5997 -13.5997 -6.3633 -6.3633 -4.6837 -4.6837 -4.2590 -4.2590 -4.2145 -4.2145 -2.1051 -2.1051 -2.0566 -2.0566 -2.0474 -2.0474 -1.0957 -1.0957 2.1566 2.1566 4.8111 4.8111 5.3284 5.3284 6.0102 6.0102 6.2807 6.2807 6.4362 6.4362 7.2920 7.2920 8.4224 8.4224 9.8636 9.8636 10.6704 10.6704 11.5363 11.5363 k = 0.1250-0.2042-0.1241 ( 4120 PWs) bands (ev): -16.5819 -16.5819 -16.5797 -16.5797 -13.6196 -13.6196 -13.6077 -13.6077 -13.5994 -13.5994 -6.3403 -6.3403 -4.6788 -4.6788 -4.2579 -4.2579 -4.2114 -4.2114 -2.1042 -2.1042 -2.0559 -2.0559 -2.0472 -2.0472 -1.1152 -1.1152 2.1316 2.1316 4.7435 4.7435 5.2479 5.2479 5.9965 5.9965 6.3035 6.3035 6.4507 6.4507 7.2415 7.2415 8.5133 8.5133 9.9370 9.9370 10.7167 10.7167 11.4968 11.4968 k = 0.1364-0.2228-0.1354 ( 4120 PWs) bands (ev): -16.5820 -16.5820 -16.5796 -16.5796 -13.6196 -13.6196 -13.6079 -13.6079 -13.5991 -13.5991 -6.3152 -6.3152 -4.6736 -4.6736 -4.2569 -4.2569 -4.2078 -4.2078 -2.1032 -2.1032 -2.0552 -2.0552 -2.0470 -2.0470 -1.1374 -1.1374 2.1081 2.1081 4.6645 4.6645 5.1740 5.1740 5.9802 5.9802 6.3233 6.3233 6.4701 6.4701 7.1945 7.1945 8.6026 8.6026 10.0089 10.0089 10.7373 10.7373 11.4833 11.4833 k = 0.1477-0.2413-0.1467 ( 4117 PWs) bands (ev): -16.5820 -16.5820 -16.5795 -16.5795 -13.6197 -13.6197 -13.6081 -13.6081 -13.5988 -13.5988 -6.2880 -6.2880 -4.6682 -4.6682 -4.2559 -4.2559 -4.2040 -4.2040 -2.1023 -2.1023 -2.0545 -2.0545 -2.0468 -2.0468 -1.1622 -1.1622 2.0866 2.0866 4.5757 4.5757 5.1067 5.1067 5.9622 5.9622 6.3368 6.3368 6.4940 6.4940 7.1531 7.1531 8.6896 8.6896 10.0769 10.0769 10.7273 10.7273 11.5025 11.5025 k = 0.1591-0.2599-0.1580 ( 4116 PWs) bands (ev): -16.5821 -16.5821 -16.5794 -16.5794 -13.6198 -13.6198 -13.6083 -13.6083 -13.5984 -13.5984 -6.2588 -6.2588 -4.6625 -4.6625 -4.2549 -4.2549 -4.1997 -4.1997 -2.1015 -2.1015 -2.0538 -2.0538 -2.0467 -2.0467 -1.1899 -1.1899 2.0676 2.0676 4.4795 4.4795 5.0449 5.0449 5.9428 5.9428 6.3435 6.3435 6.5189 6.5189 7.1197 7.1197 8.7737 8.7737 10.1371 10.1371 10.6931 10.6931 11.5514 11.5514 k = 0.1705-0.2785-0.1693 ( 4114 PWs) bands (ev): -16.5822 -16.5822 -16.5792 -16.5792 -13.6199 -13.6199 -13.6085 -13.6085 -13.5981 -13.5981 -6.2276 -6.2276 -4.6566 -4.6566 -4.2540 -4.2540 -4.1952 -4.1952 -2.1008 -2.1008 -2.0531 -2.0531 -2.0466 -2.0466 -1.2204 -1.2204 2.0518 2.0518 4.3782 4.3782 4.9874 4.9874 5.9225 5.9225 6.3444 6.3444 6.5398 6.5398 7.0968 7.0968 8.8540 8.8540 10.1820 10.1820 10.6516 10.6516 11.6200 11.6200 k = 0.1818-0.2970-0.1806 ( 4106 PWs) bands (ev): -16.5822 -16.5822 -16.5791 -16.5791 -13.6201 -13.6201 -13.6087 -13.6087 -13.5977 -13.5977 -6.1943 -6.1943 -4.6507 -4.6507 -4.2532 -4.2532 -4.1904 -4.1904 -2.1001 -2.1001 -2.0524 -2.0524 -2.0466 -2.0466 -1.2539 -1.2539 2.0394 2.0394 4.2741 4.2741 4.9332 4.9332 5.9015 5.9015 6.3407 6.3407 6.5519 6.5519 7.0866 7.0866 8.9298 8.9298 10.1996 10.1996 10.6247 10.6247 11.6971 11.6971 k = 0.1932-0.3156-0.1918 ( 4115 PWs) bands (ev): -16.5823 -16.5823 -16.5789 -16.5789 -13.6203 -13.6203 -13.6089 -13.6089 -13.5972 -13.5972 -6.1592 -6.1592 -4.6446 -4.6446 -4.2525 -4.2525 -4.1853 -4.1853 -2.0996 -2.0996 -2.0517 -2.0517 -2.0467 -2.0467 -1.2902 -1.2902 2.0308 2.0308 4.1688 4.1688 4.8815 4.8815 5.8801 5.8801 6.3332 6.3332 6.5525 6.5525 7.0892 7.0892 9.0002 9.0002 10.1818 10.1818 10.6287 10.6287 11.7727 11.7727 k = 0.2045-0.3341-0.2031 ( 4119 PWs) bands (ev): -16.5824 -16.5824 -16.5787 -16.5787 -13.6206 -13.6206 -13.6090 -13.6090 -13.5968 -13.5968 -6.1222 -6.1222 -4.6386 -4.6386 -4.2518 -4.2518 -4.1801 -4.1801 -2.0993 -2.0993 -2.0512 -2.0512 -2.0467 -2.0467 -1.3294 -1.3294 2.0262 2.0262 4.0638 4.0638 4.8317 4.8317 5.8583 5.8583 6.3223 6.3223 6.5420 6.5420 7.1020 7.1020 9.0639 9.0639 10.1362 10.1362 10.6623 10.6623 11.8378 11.8378 k = 0.2159-0.3527-0.2144 ( 4117 PWs) bands (ev): -16.5825 -16.5825 -16.5786 -16.5786 -13.6209 -13.6209 -13.6091 -13.6091 -13.5963 -13.5963 -6.0833 -6.0833 -4.6326 -4.6326 -4.2512 -4.2512 -4.1747 -4.1747 -2.0992 -2.0992 -2.0510 -2.0510 -2.0466 -2.0466 -1.3713 -1.3713 2.0258 2.0258 3.9602 3.9602 4.7836 4.7836 5.8363 5.8363 6.3082 6.3082 6.5228 6.5228 7.1203 7.1203 9.1200 9.1200 10.0799 10.0799 10.7138 10.7138 11.8848 11.8848 k = 0.2273-0.3713-0.2257 ( 4119 PWs) bands (ev): -16.5826 -16.5826 -16.5784 -16.5784 -13.6212 -13.6212 -13.6092 -13.6092 -13.5959 -13.5959 -6.0427 -6.0427 -4.6267 -4.6267 -4.2506 -4.2506 -4.1692 -4.1692 -2.0993 -2.0993 -2.0514 -2.0514 -2.0462 -2.0462 -1.4157 -1.4157 2.0295 2.0295 3.8589 3.8589 4.7371 4.7371 5.8143 5.8143 6.2909 6.2909 6.4981 6.4981 7.1388 7.1388 9.1672 9.1672 10.0265 10.0265 10.7739 10.7739 11.9103 11.9103 k = 0.2386-0.3898-0.2370 ( 4116 PWs) bands (ev): -16.5827 -16.5827 -16.5782 -16.5782 -13.6216 -13.6216 -13.6093 -13.6093 -13.5954 -13.5954 -6.0003 -6.0003 -4.6210 -4.6210 -4.2500 -4.2500 -4.1637 -4.1637 -2.0996 -2.0996 -2.0523 -2.0523 -2.0454 -2.0454 -1.4624 -1.4624 2.0373 2.0373 3.7607 3.7607 4.6920 4.6920 5.7923 5.7923 6.2704 6.2704 6.4707 6.4707 7.1523 7.1523 9.2053 9.2053 9.9847 9.9847 10.8374 10.8374 11.9170 11.9170 k = 0.2500-0.4084-0.2483 ( 4112 PWs) bands (ev): -16.5827 -16.5827 -16.5781 -16.5781 -13.6220 -13.6220 -13.6094 -13.6094 -13.5949 -13.5949 -5.9563 -5.9563 -4.6155 -4.6155 -4.2495 -4.2495 -4.1582 -4.1582 -2.1003 -2.1003 -2.0538 -2.0538 -2.0445 -2.0445 -1.5111 -1.5111 2.0490 2.0490 3.6663 3.6663 4.6483 4.6483 5.7705 5.7705 6.2465 6.2465 6.4430 6.4430 7.1564 7.1564 9.2352 9.2352 9.9588 9.9588 10.9014 10.9014 11.9107 11.9107 k = 0.2614-0.4270-0.2596 ( 4114 PWs) bands (ev): -16.5828 -16.5828 -16.5779 -16.5779 -13.6224 -13.6224 -13.6094 -13.6094 -13.5944 -13.5944 -5.9107 -5.9107 -4.6104 -4.6104 -4.2490 -4.2490 -4.1528 -4.1528 -2.1015 -2.1015 -2.0557 -2.0557 -2.0434 -2.0434 -1.5612 -1.5612 2.0643 2.0643 3.5763 3.5763 4.6061 4.6061 5.7488 5.7488 6.2196 6.2196 6.4161 6.4161 7.1480 7.1480 9.2597 9.2597 9.9496 9.9496 10.9643 10.9643 11.8974 11.8974 k = 0.2727-0.4455-0.2708 ( 4118 PWs) bands (ev): -16.5829 -16.5829 -16.5777 -16.5777 -13.6229 -13.6229 -13.6094 -13.6094 -13.5939 -13.5939 -5.8637 -5.8637 -4.6057 -4.6057 -4.2486 -4.2486 -4.1476 -4.1476 -2.1032 -2.1032 -2.0582 -2.0582 -2.0422 -2.0422 -1.6124 -1.6124 2.0827 2.0827 3.4915 3.4915 4.5655 4.5655 5.7275 5.7275 6.1898 6.1898 6.3909 6.3909 7.1247 7.1247 9.2830 9.2830 9.9552 9.9552 11.0248 11.0248 11.8812 11.8812 k = 0.2841-0.4641-0.2821 ( 4112 PWs) bands (ev): -16.5830 -16.5830 -16.5776 -16.5776 -13.6233 -13.6233 -13.6094 -13.6094 -13.5934 -13.5934 -5.8153 -5.8153 -4.6015 -4.6015 -4.2482 -4.2482 -4.1426 -4.1426 -2.1058 -2.1058 -2.0611 -2.0611 -2.0410 -2.0410 -1.6640 -1.6640 2.1037 2.1037 3.4126 3.4126 4.5265 4.5265 5.7065 5.7065 6.1578 6.1578 6.3676 6.3676 7.0858 7.0858 9.3093 9.3093 9.9722 9.9722 11.0824 11.0824 11.8649 11.8649 k = 0.2955-0.4826-0.2934 ( 4108 PWs) bands (ev): -16.5831 -16.5831 -16.5774 -16.5774 -13.6238 -13.6238 -13.6094 -13.6094 -13.5929 -13.5929 -5.7656 -5.7656 -4.5979 -4.5979 -4.2479 -4.2479 -4.1380 -4.1380 -2.1097 -2.1097 -2.0645 -2.0645 -2.0398 -2.0398 -1.7153 -1.7153 2.1264 2.1264 3.3403 3.3403 4.4892 4.4892 5.6858 5.6858 6.1243 6.1243 6.3460 6.3460 7.0315 7.0315 9.3414 9.3414 9.9973 9.9973 11.1363 11.1363 11.8502 11.8502 k = 0.3068-0.5012-0.3047 ( 4113 PWs) bands (ev): -16.5832 -16.5832 -16.5772 -16.5772 -13.6243 -13.6243 -13.6094 -13.6094 -13.5924 -13.5924 -5.7147 -5.7147 -4.5949 -4.5949 -4.2475 -4.2475 -4.1337 -4.1337 -2.1154 -2.1154 -2.0682 -2.0682 -2.0387 -2.0387 -1.7651 -1.7651 2.1499 2.1499 3.2756 3.2756 4.4536 4.4536 5.6656 5.6656 6.0899 6.0899 6.3261 6.3261 6.9633 6.9633 9.3808 9.3808 10.0275 10.0275 11.1861 11.1861 11.8384 11.8384 k = 0.3182-0.5198-0.3160 ( 4113 PWs) bands (ev): -16.5833 -16.5833 -16.5771 -16.5771 -13.6247 -13.6247 -13.6094 -13.6094 -13.5919 -13.5919 -5.6629 -5.6629 -4.5928 -4.5928 -4.2472 -4.2472 -4.1300 -4.1300 -2.1241 -2.1241 -2.0721 -2.0721 -2.0375 -2.0375 -1.8123 -1.8123 2.1731 2.1731 3.2196 3.2196 4.4199 4.4199 5.6458 5.6458 6.0551 6.0551 6.3073 6.3073 6.8832 6.8832 9.4275 9.4275 10.0607 10.0607 11.2317 11.2317 11.8301 11.8301 k = 0.3295-0.5383-0.3273 ( 4112 PWs) bands (ev): -16.5833 -16.5833 -16.5769 -16.5769 -13.6252 -13.6252 -13.6093 -13.6093 -13.5914 -13.5914 -5.6101 -5.6101 -4.5916 -4.5916 -4.2470 -4.2470 -4.1269 -4.1269 -2.1370 -2.1370 -2.0758 -2.0758 -2.0365 -2.0365 -1.8554 -1.8554 2.1946 2.1946 3.1732 3.1732 4.3882 4.3882 5.6263 5.6263 6.0206 6.0206 6.2896 6.2896 6.7939 6.7939 9.4803 9.4803 10.0956 10.0956 11.2728 11.2728 11.8261 11.8261 k = 0.3409-0.5569-0.3386 ( 4118 PWs) bands (ev): -16.5834 -16.5834 -16.5768 -16.5768 -13.6257 -13.6257 -13.6093 -13.6093 -13.5909 -13.5909 -5.5566 -5.5566 -4.5914 -4.5914 -4.2467 -4.2467 -4.1243 -4.1243 -2.1555 -2.1555 -2.0792 -2.0792 -2.0355 -2.0355 -1.8928 -1.8928 2.2131 2.2131 3.1377 3.1377 4.3585 4.3585 5.6070 5.6070 5.9864 5.9864 6.2725 6.2725 6.6981 6.6981 9.5374 9.5374 10.1313 10.1313 11.3094 11.3094 11.8266 11.8266 k = 0.3523-0.5755-0.3498 ( 4122 PWs) bands (ev): -16.5835 -16.5835 -16.5766 -16.5766 -13.6261 -13.6261 -13.6093 -13.6093 -13.5905 -13.5905 -5.5027 -5.5027 -4.5924 -4.5924 -4.2465 -4.2465 -4.1225 -4.1225 -2.1800 -2.1800 -2.0820 -2.0820 -2.0347 -2.0347 -1.9235 -1.9235 2.2272 2.2272 3.1140 3.1140 4.3310 4.3310 5.5879 5.5879 5.9530 5.9530 6.2557 6.2557 6.5989 6.5989 9.5969 9.5969 10.1673 10.1673 11.3418 11.3418 11.8318 11.8318 k = 0.3636-0.5940-0.3611 ( 4120 PWs) bands (ev): -16.5836 -16.5836 -16.5765 -16.5765 -13.6265 -13.6265 -13.6092 -13.6092 -13.5901 -13.5901 -5.4484 -5.4484 -4.5947 -4.5947 -4.2464 -4.2464 -4.1214 -4.1214 -2.2103 -2.2103 -2.0843 -2.0843 -2.0341 -2.0341 -1.9473 -1.9473 2.2360 2.2360 3.1026 3.1026 4.3057 4.3057 5.5687 5.5687 5.9204 5.9204 6.2382 6.2382 6.4996 6.4996 9.6567 9.6567 10.2033 10.2033 11.3703 11.3703 11.8417 11.8417 k = 0.3750-0.6126-0.3724 ( 4124 PWs) bands (ev): -16.5836 -16.5836 -16.5764 -16.5764 -13.6269 -13.6269 -13.6092 -13.6092 -13.5897 -13.5897 -5.3940 -5.3940 -4.5986 -4.5986 -4.2463 -4.2463 -4.1211 -4.1211 -2.2449 -2.2449 -2.0864 -2.0864 -2.0336 -2.0336 -1.9649 -1.9649 2.2392 2.2392 3.1033 3.1033 4.2827 4.2827 5.5490 5.5490 5.8886 5.8886 6.2181 6.2181 6.4049 6.4049 9.7149 9.7149 10.2390 10.2390 11.3955 11.3955 11.8559 11.8559 k = 0.3864-0.6312-0.3837 ( 4120 PWs) bands (ev): -16.5837 -16.5837 -16.5763 -16.5763 -13.6273 -13.6273 -13.6091 -13.6091 -13.5893 -13.5893 -5.3398 -5.3398 -4.6041 -4.6041 -4.2462 -4.2462 -4.1215 -4.1215 -2.2818 -2.2818 -2.0881 -2.0881 -2.0334 -2.0334 -1.9776 -1.9776 2.2369 2.2369 3.1152 3.1152 4.2621 4.2621 5.5282 5.5282 5.8575 5.8575 6.1895 6.1895 6.3231 6.3231 9.7698 9.7698 10.2745 10.2745 11.4178 11.4178 11.8740 11.8740 k = 0.3977-0.6497-0.3950 ( 4123 PWs) bands (ev): -16.5837 -16.5837 -16.5762 -16.5762 -13.6277 -13.6277 -13.6091 -13.6091 -13.5889 -13.5889 -5.2860 -5.2860 -4.6114 -4.6114 -4.2461 -4.2461 -4.1226 -4.1226 -2.3194 -2.3194 -2.0896 -2.0896 -2.0335 -2.0335 -1.9867 -1.9867 2.2303 2.2303 3.1365 3.1365 4.2439 4.2439 5.5058 5.5058 5.8270 5.8270 6.1421 6.1421 6.2673 6.2673 9.8201 9.8201 10.3093 10.3093 11.4378 11.4378 11.8955 11.8955 k = 0.4091-0.6683-0.4063 ( 4119 PWs) bands (ev): -16.5838 -16.5838 -16.5761 -16.5761 -13.6280 -13.6280 -13.6091 -13.6091 -13.5886 -13.5886 -5.2331 -5.2331 -4.6208 -4.6208 -4.2461 -4.2461 -4.1243 -4.1243 -2.3559 -2.3559 -2.0909 -2.0909 -2.0338 -2.0338 -1.9932 -1.9932 2.2203 2.2203 3.1652 3.1652 4.2284 4.2284 5.4808 5.4808 5.7970 5.7970 6.0788 6.0788 6.2375 6.2375 9.8649 9.8649 10.3430 10.3430 11.4559 11.4559 11.9195 11.9195 k = 0.4205-0.6868-0.4176 ( 4117 PWs) bands (ev): -16.5838 -16.5838 -16.5760 -16.5760 -13.6283 -13.6283 -13.6090 -13.6090 -13.5883 -13.5883 -5.1815 -5.1815 -4.6323 -4.6323 -4.2461 -4.2461 -4.1264 -4.1264 -2.3903 -2.3903 -2.0921 -2.0921 -2.0343 -2.0343 -1.9978 -1.9978 2.2085 2.2085 3.1988 3.1988 4.2154 4.2154 5.4524 5.4524 5.7676 5.7676 6.0155 6.0155 6.2204 6.2204 9.9037 9.9037 10.3750 10.3750 11.4722 11.4722 11.9451 11.9451 k = 0.4318-0.7054-0.4288 ( 4123 PWs) bands (ev): -16.5839 -16.5839 -16.5759 -16.5759 -13.6286 -13.6286 -13.6090 -13.6090 -13.5881 -13.5881 -5.1315 -5.1315 -4.6460 -4.6460 -4.2461 -4.2461 -4.1288 -4.1288 -2.4217 -2.4217 -2.0931 -2.0931 -2.0349 -2.0349 -2.0010 -2.0010 2.1959 2.1959 3.2348 3.2348 4.2051 4.2051 5.4203 5.4203 5.7395 5.7395 5.9609 5.9609 6.2087 6.2087 9.9363 9.9363 10.4045 10.4045 11.4868 11.4868 11.9712 11.9712 k = 0.4432-0.7240-0.4401 ( 4122 PWs) bands (ev): -16.5839 -16.5839 -16.5758 -16.5758 -13.6288 -13.6288 -13.6090 -13.6090 -13.5879 -13.5879 -5.0839 -5.0839 -4.6618 -4.6618 -4.2461 -4.2461 -4.1314 -4.1314 -2.4492 -2.4492 -2.0940 -2.0940 -2.0356 -2.0356 -2.0031 -2.0031 2.1838 2.1838 3.2706 3.2706 4.1972 4.1972 5.3851 5.3851 5.7140 5.7140 5.9177 5.9177 6.1999 6.1999 9.9631 9.9631 10.4308 10.4308 11.4997 11.4997 11.9966 11.9966 k = 0.4545-0.7425-0.4514 ( 4124 PWs) bands (ev): -16.5839 -16.5839 -16.5758 -16.5758 -13.6290 -13.6290 -13.6090 -13.6090 -13.5877 -13.5877 -5.0396 -5.0396 -4.6793 -4.6793 -4.2462 -4.2462 -4.1338 -4.1338 -2.4725 -2.4725 -2.0947 -2.0947 -2.0363 -2.0363 -2.0046 -2.0046 2.1728 2.1728 3.3040 3.3040 4.1917 4.1917 5.3490 5.3490 5.6926 5.6926 5.8853 5.8853 6.1933 6.1933 9.9843 9.9843 10.4532 10.4532 11.5107 11.5107 12.0197 12.0197 k = 0.4659-0.7611-0.4627 ( 4118 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6291 -13.6291 -13.6090 -13.6090 -13.5876 -13.5876 -4.9997 -4.9997 -4.6978 -4.6978 -4.2462 -4.2462 -4.1360 -4.1360 -2.4910 -2.4910 -2.0953 -2.0953 -2.0369 -2.0369 -2.0056 -2.0056 2.1637 2.1637 3.3327 3.3327 4.1882 4.1882 5.3154 5.3154 5.6760 5.6760 5.8622 5.8622 6.1883 6.1883 10.0002 10.0002 10.4711 10.4711 11.5194 11.5194 12.0392 12.0392 k = 0.4773-0.7797-0.4740 ( 4114 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9666 -4.9666 -4.7154 -4.7154 -4.2463 -4.2463 -4.1377 -4.1377 -2.5044 -2.5044 -2.0957 -2.0957 -2.0374 -2.0374 -2.0062 -2.0062 2.1569 2.1569 3.3547 3.3547 4.1862 4.1862 5.2879 5.2879 5.6644 5.6644 5.8468 5.8468 6.1848 6.1848 10.0114 10.0114 10.4841 10.4841 11.5259 11.5259 12.0540 12.0540 k = 0.4886-0.7982-0.4853 ( 4114 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9435 -4.9435 -4.7290 -4.7290 -4.2463 -4.2463 -4.1387 -4.1387 -2.5125 -2.5125 -2.0960 -2.0960 -2.0377 -2.0377 -2.0065 -2.0065 2.1527 2.1527 3.3686 3.3686 4.1853 4.1853 5.2700 5.2700 5.6576 5.6576 5.8380 5.8380 6.1827 6.1827 10.0179 10.0179 10.4920 10.4920 11.5298 11.5298 12.0631 12.0631 k = 0.5000-0.8168-0.4966 ( 4104 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9350 -4.9350 -4.7343 -4.7343 -4.2463 -4.2463 -4.1391 -4.1391 -2.5153 -2.5153 -2.0961 -2.0961 -2.0378 -2.0378 -2.0066 -2.0066 2.1512 2.1512 3.3734 3.3734 4.1851 4.1851 5.2637 5.2637 5.6553 5.6553 5.8352 5.8352 6.1821 6.1821 10.0201 10.0201 10.4947 10.4947 11.5311 11.5311 12.0662 12.0662 k = 0.5000-0.8168-0.4966 ( 4104 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9350 -4.9350 -4.7343 -4.7343 -4.2463 -4.2463 -4.1391 -4.1391 -2.5153 -2.5153 -2.0961 -2.0961 -2.0378 -2.0378 -2.0066 -2.0066 2.1512 2.1512 3.3734 3.3734 4.1851 4.1851 5.2637 5.2637 5.6553 5.6553 5.8352 5.8352 6.1821 6.1821 10.0201 10.0201 10.4947 10.4947 11.5311 11.5311 12.0662 12.0662 k = 0.5000-0.8041-0.5173 ( 4108 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9344 -4.9344 -4.7336 -4.7336 -4.2462 -4.2462 -4.1391 -4.1391 -2.5169 -2.5169 -2.0957 -2.0957 -2.0377 -2.0377 -2.0065 -2.0065 2.1521 2.1521 3.3739 3.3739 4.1780 4.1780 5.2652 5.2652 5.6209 5.6209 5.8597 5.8597 6.2002 6.2002 10.0173 10.0173 10.4884 10.4884 11.5250 11.5250 12.0697 12.0697 k = 0.5000-0.7915-0.5381 ( 4110 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6090 -13.6090 -13.5874 -13.5874 -4.9327 -4.9327 -4.7317 -4.7317 -4.2459 -4.2459 -4.1391 -4.1391 -2.5218 -2.5218 -2.0947 -2.0947 -2.0375 -2.0375 -2.0064 -2.0064 2.1547 2.1547 3.3755 3.3755 4.1575 4.1575 5.2687 5.2687 5.5461 5.5461 5.9097 5.9097 6.2497 6.2497 10.0090 10.0090 10.4697 10.4697 11.5083 11.5083 12.0785 12.0785 k = 0.5000-0.7789-0.5589 ( 4108 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6291 -13.6291 -13.6091 -13.6091 -13.5875 -13.5875 -4.9297 -4.9297 -4.7286 -4.7286 -4.2454 -4.2454 -4.1390 -4.1390 -2.5298 -2.5298 -2.0930 -2.0930 -2.0373 -2.0373 -2.0062 -2.0062 2.1589 2.1589 3.3780 3.3780 4.1254 4.1254 5.2709 5.2709 5.4591 5.4591 5.9696 5.9696 6.3196 6.3196 9.9947 9.9947 10.4392 10.4392 11.4848 11.4848 12.0886 12.0886 k = 0.5000-0.7662-0.5797 ( 4108 PWs) bands (ev): -16.5839 -16.5839 -16.5757 -16.5757 -13.6289 -13.6289 -13.6092 -13.6092 -13.5876 -13.5876 -4.9256 -4.9256 -4.7243 -4.7243 -4.2447 -4.2447 -4.1390 -4.1390 -2.5408 -2.5408 -2.0909 -2.0909 -2.0369 -2.0369 -2.0059 -2.0059 2.1648 2.1648 3.3813 3.3813 4.0844 4.0844 5.2584 5.2584 5.3812 5.3812 6.0380 6.0380 6.4003 6.4003 9.9742 9.9742 10.3980 10.3980 11.4586 11.4586 12.0961 12.0961 k = 0.5000-0.7536-0.6005 ( 4106 PWs) bands (ev): -16.5839 -16.5839 -16.5757 -16.5757 -13.6287 -13.6287 -13.6093 -13.6093 -13.5877 -13.5877 -4.9204 -4.9204 -4.7189 -4.7189 -4.2438 -4.2438 -4.1389 -4.1389 -2.5546 -2.5546 -2.0883 -2.0883 -2.0364 -2.0364 -2.0056 -2.0056 2.1723 2.1723 3.3850 3.3850 4.0375 4.0375 5.1992 5.1992 5.3477 5.3477 6.1153 6.1153 6.4853 6.4853 9.9471 9.9471 10.3477 10.3477 11.4331 11.4331 12.0985 12.0985 k = 0.5000-0.7409-0.6213 ( 4104 PWs) bands (ev): -16.5839 -16.5839 -16.5758 -16.5758 -13.6284 -13.6284 -13.6094 -13.6094 -13.5878 -13.5878 -4.9141 -4.9141 -4.7124 -4.7124 -4.2426 -4.2426 -4.1388 -4.1388 -2.5710 -2.5710 -2.0855 -2.0855 -2.0358 -2.0358 -2.0052 -2.0052 2.1813 2.1813 3.3886 3.3886 3.9876 3.9876 5.1052 5.1052 5.3482 5.3482 6.2007 6.2007 6.5705 6.5705 9.9128 9.9128 10.2904 10.2904 11.4102 11.4102 12.0955 12.0955 k = 0.5000-0.7283-0.6421 ( 4112 PWs) bands (ev): -16.5838 -16.5838 -16.5758 -16.5758 -13.6281 -13.6281 -13.6096 -13.6096 -13.5879 -13.5879 -4.9067 -4.9067 -4.7050 -4.7050 -4.2411 -4.2411 -4.1387 -4.1387 -2.5898 -2.5898 -2.0826 -2.0826 -2.0352 -2.0352 -2.0048 -2.0048 2.1917 2.1917 3.3914 3.3914 3.9374 3.9374 5.0021 5.0021 5.3585 5.3585 6.2927 6.2927 6.6533 6.6533 9.8712 9.8712 10.2284 10.2284 11.3910 11.3910 12.0883 12.0883 k = 0.5000-0.7157-0.6629 ( 4114 PWs) bands (ev): -16.5838 -16.5838 -16.5758 -16.5758 -13.6278 -13.6278 -13.6099 -13.6099 -13.5880 -13.5880 -4.8983 -4.8983 -4.6967 -4.6967 -4.2392 -4.2392 -4.1386 -4.1386 -2.6107 -2.6107 -2.0797 -2.0797 -2.0346 -2.0346 -2.0043 -2.0043 2.2034 2.2034 3.3925 3.3925 3.8896 3.8896 4.8970 4.8970 5.3721 5.3721 6.3896 6.3896 6.7318 6.7318 9.8224 9.8224 10.1642 10.1642 11.3756 11.3756 12.0791 12.0791 k = 0.5000-0.7030-0.6837 ( 4112 PWs) bands (ev): -16.5837 -16.5837 -16.5759 -16.5759 -13.6274 -13.6274 -13.6101 -13.6101 -13.5882 -13.5882 -4.8888 -4.8888 -4.6878 -4.6878 -4.2371 -4.2371 -4.1384 -4.1384 -2.6336 -2.6336 -2.0768 -2.0768 -2.0340 -2.0340 -2.0039 -2.0039 2.2162 2.2162 3.3907 3.3907 3.8467 3.8467 4.7925 4.7925 5.3876 5.3876 6.4895 6.4895 6.8046 6.8046 9.7672 9.7672 10.0999 10.0999 11.3638 11.3638 12.0702 12.0702 k = 0.5000-0.6904-0.7045 ( 4112 PWs) bands (ev): -16.5836 -16.5836 -16.5759 -16.5759 -13.6270 -13.6270 -13.6104 -13.6104 -13.5883 -13.5883 -4.8785 -4.8785 -4.6783 -4.6783 -4.2345 -4.2345 -4.1383 -4.1383 -2.6582 -2.6582 -2.0740 -2.0740 -2.0335 -2.0335 -2.0036 -2.0036 2.2300 2.2300 3.3847 3.3847 3.8110 3.8110 4.6899 4.6899 5.4044 5.4044 6.5903 6.5903 6.8703 6.8703 9.7070 9.7070 10.0374 10.0374 11.3552 11.3552 12.0633 12.0633 k = 0.5000-0.6777-0.7253 ( 4112 PWs) bands (ev): -16.5836 -16.5836 -16.5760 -16.5760 -13.6265 -13.6265 -13.6107 -13.6107 -13.5885 -13.5885 -4.8672 -4.8672 -4.6685 -4.6685 -4.2314 -4.2314 -4.1381 -4.1381 -2.6842 -2.6842 -2.0713 -2.0713 -2.0330 -2.0330 -2.0034 -2.0034 2.2446 2.2446 3.3734 3.3734 3.7846 3.7846 4.5902 4.5902 5.4222 5.4222 6.6900 6.6900 6.9278 6.9278 9.6440 9.6440 9.9781 9.9781 11.3491 11.3491 12.0595 12.0595 k = 0.5000-0.6651-0.7461 ( 4110 PWs) bands (ev): -16.5835 -16.5835 -16.5760 -16.5760 -13.6260 -13.6260 -13.6111 -13.6111 -13.5886 -13.5886 -4.8551 -4.8551 -4.6587 -4.6587 -4.2279 -4.2279 -4.1379 -4.1379 -2.7114 -2.7114 -2.0688 -2.0688 -2.0325 -2.0325 -2.0033 -2.0033 2.2597 2.2597 3.3565 3.3565 3.7681 3.7681 4.4944 4.4944 5.4410 5.4410 6.7865 6.7865 6.9762 6.9762 9.5809 9.5809 9.9231 9.9231 11.3448 11.3448 12.0586 12.0586 k = 0.5000-0.6525-0.7669 ( 4112 PWs) bands (ev): -16.5834 -16.5834 -16.5761 -16.5761 -13.6255 -13.6255 -13.6115 -13.6115 -13.5887 -13.5887 -4.8422 -4.8422 -4.6490 -4.6490 -4.2238 -4.2238 -4.1376 -4.1376 -2.7395 -2.7395 -2.0665 -2.0665 -2.0321 -2.0321 -2.0034 -2.0034 2.2749 2.2749 3.3345 3.3345 3.7613 3.7613 4.4034 4.4034 5.4606 5.4606 6.8772 6.8772 7.0150 7.0150 9.5206 9.5206 9.8733 9.8733 11.3419 11.3419 12.0601 12.0601 k = 0.5000-0.6398-0.7877 ( 4104 PWs) bands (ev): -16.5834 -16.5834 -16.5761 -16.5761 -13.6250 -13.6250 -13.6119 -13.6119 -13.5889 -13.5889 -4.8286 -4.8286 -4.6398 -4.6398 -4.2191 -4.2191 -4.1374 -4.1374 -2.7682 -2.7682 -2.0643 -2.0643 -2.0319 -2.0319 -2.0037 -2.0037 2.2899 2.2899 3.3091 3.3091 3.7626 3.7626 4.3183 4.3183 5.4810 5.4810 6.9584 6.9584 7.0447 7.0447 9.4661 9.4661 9.8297 9.8297 11.3400 11.3400 12.0625 12.0625 k = 0.5000-0.6272-0.8084 ( 4106 PWs) bands (ev): -16.5833 -16.5833 -16.5761 -16.5761 -13.6244 -13.6244 -13.6123 -13.6123 -13.5890 -13.5890 -4.8144 -4.8144 -4.6312 -4.6312 -4.2139 -4.2139 -4.1370 -4.1370 -2.7972 -2.7972 -2.0622 -2.0622 -2.0317 -2.0317 -2.0042 -2.0042 2.3042 2.3042 3.2820 3.2820 3.7698 3.7698 4.2404 4.2404 5.5020 5.5020 7.0204 7.0204 7.0722 7.0722 9.4204 9.4204 9.7931 9.7931 11.3386 11.3386 12.0637 12.0637 k = 0.5000-0.6145-0.8292 ( 4108 PWs) bands (ev): -16.5833 -16.5833 -16.5762 -16.5762 -13.6238 -13.6238 -13.6128 -13.6128 -13.5891 -13.5891 -4.7996 -4.7996 -4.6237 -4.6237 -4.2082 -4.2082 -4.1366 -4.1366 -2.8260 -2.8260 -2.0604 -2.0604 -2.0315 -2.0315 -2.0050 -2.0050 2.3174 2.3174 3.2549 3.2549 3.7805 3.7805 4.1718 4.1718 5.5235 5.5235 7.0426 7.0426 7.1155 7.1155 9.3863 9.3863 9.7642 9.7642 11.3375 11.3375 12.0617 12.0617 k = 0.5000-0.6019-0.8500 ( 4112 PWs) bands (ev): -16.5832 -16.5832 -16.5762 -16.5762 -13.6233 -13.6233 -13.6133 -13.6133 -13.5892 -13.5892 -4.7844 -4.7844 -4.6175 -4.6175 -4.2020 -4.2020 -4.1361 -4.1361 -2.8543 -2.8543 -2.0586 -2.0586 -2.0315 -2.0315 -2.0061 -2.0061 2.3288 2.3288 3.2293 3.2293 3.7913 3.7913 4.1150 4.1150 5.5454 5.5454 7.0377 7.0377 7.1599 7.1599 9.3660 9.3660 9.7436 9.7436 11.3367 11.3367 12.0550 12.0550 k = 0.5000-0.5893-0.8708 ( 4110 PWs) bands (ev): -16.5832 -16.5832 -16.5763 -16.5763 -13.6227 -13.6227 -13.6138 -13.6138 -13.5893 -13.5893 -4.7687 -4.7687 -4.6130 -4.6130 -4.1955 -4.1955 -4.1354 -4.1354 -2.8816 -2.8816 -2.0570 -2.0570 -2.0315 -2.0315 -2.0073 -2.0073 2.3379 2.3379 3.2061 3.2061 3.7984 3.7984 4.0739 4.0739 5.5675 5.5675 7.0178 7.0178 7.1922 7.1922 9.3614 9.3614 9.7316 9.7316 11.3359 11.3359 12.0427 12.0427 k = 0.5000-0.5766-0.8916 ( 4104 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6221 -13.6221 -13.6144 -13.6144 -13.5894 -13.5894 -4.7528 -4.7528 -4.6103 -4.6103 -4.1890 -4.1890 -4.1346 -4.1346 -2.9073 -2.9073 -2.0555 -2.0555 -2.0316 -2.0316 -2.0088 -2.0088 2.3440 2.3440 3.1862 3.1862 3.7979 3.7979 4.0523 4.0523 5.5896 5.5896 6.9858 6.9858 7.2095 7.2095 9.3732 9.3732 9.7281 9.7281 11.3353 11.3353 12.0248 12.0248 k = 0.5000-0.5640-0.9124 ( 4104 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6215 -13.6215 -13.6149 -13.6149 -13.5894 -13.5894 -4.7367 -4.7367 -4.6098 -4.6098 -4.1827 -4.1827 -4.1335 -4.1335 -2.9309 -2.9309 -2.0542 -2.0542 -2.0318 -2.0318 -2.0105 -2.0105 2.3464 2.3464 3.1703 3.1703 3.7889 3.7889 4.0513 4.0513 5.6114 5.6114 6.9431 6.9431 7.2117 7.2117 9.4011 9.4011 9.7328 9.7328 11.3346 11.3346 12.0018 12.0018 k = 0.5000-0.5513-0.9332 ( 4104 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6209 -13.6209 -13.6155 -13.6155 -13.5895 -13.5895 -4.7205 -4.7205 -4.6117 -4.6117 -4.1770 -4.1770 -4.1321 -4.1321 -2.9518 -2.9518 -2.0531 -2.0531 -2.0321 -2.0321 -2.0123 -2.0123 2.3446 2.3446 3.1589 3.1589 3.7752 3.7752 4.0671 4.0671 5.6327 5.6327 6.8910 6.8910 7.1999 7.1999 9.4439 9.4439 9.7452 9.7452 11.3338 11.3338 11.9749 11.9749 k = 0.5000-0.5387-0.9540 ( 4094 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6203 -13.6203 -13.6160 -13.6160 -13.5895 -13.5895 -4.7042 -4.7042 -4.6162 -4.6162 -4.1722 -4.1722 -4.1303 -4.1303 -2.9693 -2.9693 -2.0520 -2.0520 -2.0324 -2.0324 -2.0141 -2.0141 2.3383 2.3383 3.1522 3.1522 3.7619 3.7619 4.0945 4.0945 5.6531 5.6531 6.8308 6.8308 7.1761 7.1761 9.4997 9.4997 9.7647 9.7647 11.3329 11.3329 11.9450 11.9450 k = 0.5000-0.5261-0.9748 ( 4088 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6198 -13.6198 -13.6165 -13.6165 -13.5895 -13.5895 -4.6881 -4.6881 -4.6235 -4.6235 -4.1686 -4.1686 -4.1284 -4.1284 -2.9829 -2.9829 -2.0512 -2.0512 -2.0328 -2.0328 -2.0160 -2.0160 2.3275 2.3275 3.1505 3.1505 3.7526 3.7526 4.1297 4.1297 5.6723 5.6723 6.7639 6.7639 7.1426 7.1426 9.5660 9.5660 9.7906 9.7906 11.3315 11.3315 11.9135 11.9135 k = 0.5000-0.5134-0.9956 ( 4086 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6194 -13.6194 -13.6169 -13.6169 -13.5895 -13.5895 -4.6723 -4.6723 -4.6337 -4.6337 -4.1662 -4.1662 -4.1265 -4.1265 -2.9919 -2.9919 -2.0505 -2.0505 -2.0334 -2.0334 -2.0178 -2.0178 2.3122 2.3122 3.1539 3.1539 3.7495 3.7495 4.1704 4.1704 5.6898 5.6898 6.6917 6.6917 7.1018 7.1018 9.6401 9.6401 9.8222 9.8222 11.3294 11.3294 11.8815 11.8815 k = 0.5000-0.5008-1.0164 ( 4090 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6192 -13.6192 -13.6171 -13.6171 -13.5895 -13.5895 -4.6581 -4.6581 -4.6459 -4.6459 -4.1650 -4.1650 -4.1250 -4.1250 -2.9958 -2.9958 -2.0500 -2.0500 -2.0341 -2.0341 -2.0194 -2.0194 2.2929 2.2929 3.1622 3.1622 3.7532 3.7532 4.2150 4.2150 5.7053 5.7053 6.6154 6.6154 7.0563 7.0563 9.7190 9.7190 9.8594 9.8594 11.3262 11.3262 11.8506 11.8506 k = 0.5000-0.4881-1.0372 ( 4092 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6193 -13.6193 -13.6170 -13.6170 -13.5895 -13.5895 -4.6656 -4.6656 -4.6399 -4.6399 -4.1648 -4.1648 -4.1241 -4.1241 -2.9943 -2.9943 -2.0497 -2.0497 -2.0349 -2.0349 -2.0207 -2.0207 2.2703 2.2703 3.1752 3.1752 3.7640 3.7640 4.2627 4.2627 5.7182 5.7182 6.5363 6.5363 7.0083 7.0083 9.7992 9.7992 9.9027 9.9027 11.3212 11.3212 11.8223 11.8223 k = 0.5000-0.4755-1.0580 ( 4096 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6196 -13.6196 -13.6167 -13.6167 -13.5895 -13.5895 -4.6855 -4.6855 -4.6254 -4.6254 -4.1656 -4.1656 -4.1240 -4.1240 -2.9871 -2.9871 -2.0496 -2.0496 -2.0360 -2.0360 -2.0217 -2.0217 2.2453 2.2453 3.1925 3.1925 3.7816 3.7816 4.3129 4.3129 5.7280 5.7280 6.4555 6.4555 6.9599 6.9599 9.8753 9.8753 9.9544 9.9544 11.3137 11.3137 11.7984 11.7984 k = 0.5000-0.4628-1.0788 ( 4098 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6200 -13.6200 -13.6163 -13.6163 -13.5895 -13.5895 -4.7092 -4.7092 -4.6112 -4.6112 -4.1671 -4.1671 -4.1249 -4.1249 -2.9741 -2.9741 -2.0496 -2.0496 -2.0373 -2.0373 -2.0224 -2.0224 2.2185 2.2185 3.2139 3.2139 3.8055 3.8055 4.3651 4.3651 5.7342 5.7342 6.3744 6.3744 6.9128 6.9128 9.9410 9.9410 10.0182 10.0182 11.3028 11.3028 11.7807 11.7807 k = 0.8152-0.3740-0.9075 ( 4098 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6200 -13.6200 -13.6163 -13.6163 -13.5895 -13.5895 -4.7092 -4.7092 -4.6112 -4.6112 -4.1671 -4.1671 -4.1249 -4.1249 -2.9741 -2.9741 -2.0496 -2.0496 -2.0373 -2.0373 -2.0224 -2.0224 2.2185 2.2185 3.2139 3.2139 3.8055 3.8055 4.3651 4.3651 5.7342 5.7342 6.3744 6.3744 6.9128 6.9128 9.9410 9.9410 10.0182 10.0182 11.3028 11.3028 11.7807 11.7807 k = 0.8085-0.3631-0.8863 ( 4102 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6204 -13.6204 -13.6159 -13.6159 -13.5895 -13.5895 -4.7370 -4.7370 -4.5973 -4.5973 -4.1694 -4.1694 -4.1267 -4.1267 -2.9550 -2.9550 -2.0497 -2.0497 -2.0388 -2.0388 -2.0227 -2.0227 2.1905 2.1905 3.2393 3.2393 3.8356 3.8356 4.4199 4.4199 5.7362 5.7362 6.2926 6.2926 6.8679 6.8679 9.9973 9.9973 10.0926 10.0926 11.2881 11.2881 11.7705 11.7705 k = 0.8018-0.3521-0.8652 ( 4102 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6209 -13.6209 -13.6154 -13.6154 -13.5895 -13.5895 -4.7684 -4.7684 -4.5842 -4.5842 -4.1725 -4.1725 -4.1293 -4.1293 -2.9302 -2.9302 -2.0499 -2.0499 -2.0403 -2.0403 -2.0227 -2.0227 2.1624 2.1624 3.2680 3.2680 3.8709 3.8709 4.4758 4.4758 5.7336 5.7336 6.2127 6.2127 6.8274 6.8274 10.0486 10.0486 10.1686 10.1686 11.2698 11.2698 11.7693 11.7693 k = 0.7951-0.3412-0.8441 ( 4104 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6213 -13.6213 -13.6149 -13.6149 -13.5895 -13.5895 -4.8033 -4.8033 -4.5718 -4.5718 -4.1761 -4.1761 -4.1325 -4.1325 -2.9000 -2.9000 -2.0502 -2.0502 -2.0418 -2.0418 -2.0224 -2.0224 2.1349 2.1349 3.2996 3.2996 3.9105 3.9105 4.5325 4.5325 5.7263 5.7263 6.1358 6.1358 6.7922 6.7922 10.0977 10.0977 10.2405 10.2405 11.2491 11.2491 11.7774 11.7774 k = 0.7884-0.3302-0.8229 ( 4112 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6217 -13.6217 -13.6145 -13.6145 -13.5896 -13.5896 -4.8416 -4.8416 -4.5604 -4.5604 -4.1802 -4.1802 -4.1360 -4.1360 -2.8648 -2.8648 -2.0504 -2.0504 -2.0432 -2.0432 -2.0219 -2.0219 2.1087 2.1087 3.3338 3.3338 3.9538 3.9538 4.5893 4.5893 5.7144 5.7144 6.0630 6.0630 6.7630 6.7630 10.1454 10.1454 10.3048 10.3048 11.2280 11.2280 11.7939 11.7939 k = 0.7817-0.3193-0.8018 ( 4108 PWs) bands (ev): -16.5831 -16.5831 -16.5764 -16.5764 -13.6221 -13.6221 -13.6141 -13.6141 -13.5896 -13.5896 -4.8829 -4.8829 -4.5499 -4.5499 -4.1848 -4.1848 -4.1399 -4.1399 -2.8252 -2.8252 -2.0507 -2.0507 -2.0445 -2.0445 -2.0212 -2.0212 2.0842 2.0842 3.3700 3.3700 3.9999 3.9999 4.6455 4.6455 5.6985 5.6985 5.9957 5.9957 6.7400 6.7400 10.1916 10.1916 10.3584 10.3584 11.2092 11.2092 11.8176 11.8176 k = 0.7750-0.3083-0.7807 ( 4106 PWs) bands (ev): -16.5831 -16.5831 -16.5764 -16.5764 -13.6225 -13.6225 -13.6137 -13.6137 -13.5897 -13.5897 -4.9270 -4.9270 -4.5405 -4.5405 -4.1896 -4.1896 -4.1440 -4.1440 -2.7816 -2.7816 -2.0510 -2.0510 -2.0454 -2.0454 -2.0202 -2.0202 2.0618 2.0618 3.4079 3.4079 4.0480 4.0480 4.7003 4.7003 5.6797 5.6797 5.9351 5.9351 6.7231 6.7231 10.2362 10.2362 10.3987 10.3987 11.1956 11.1956 11.8461 11.8461 k = 0.7683-0.2973-0.7595 ( 4108 PWs) bands (ev): -16.5831 -16.5831 -16.5764 -16.5764 -13.6228 -13.6228 -13.6133 -13.6133 -13.5897 -13.5897 -4.9736 -4.9736 -4.5322 -4.5322 -4.1946 -4.1946 -4.1482 -4.1482 -2.7345 -2.7345 -2.0514 -2.0514 -2.0459 -2.0459 -2.0187 -2.0187 2.0419 2.0419 3.4470 3.4470 4.0972 4.0972 4.7528 4.7528 5.6594 5.6594 5.8824 5.8824 6.7119 6.7119 10.2785 10.2785 10.4237 10.4237 11.1901 11.1901 11.8760 11.8760 k = 0.7616-0.2864-0.7384 ( 4108 PWs) bands (ev): -16.5831 -16.5831 -16.5764 -16.5764 -13.6230 -13.6230 -13.6130 -13.6130 -13.5898 -13.5898 -5.0224 -5.0224 -4.5252 -4.5252 -4.1996 -4.1996 -4.1525 -4.1525 -2.6847 -2.6847 -2.0520 -2.0520 -2.0459 -2.0459 -2.0167 -2.0167 2.0246 2.0246 3.4869 3.4869 4.1465 4.1465 4.8017 4.8017 5.6395 5.6395 5.8390 5.8390 6.7059 6.7059 10.3178 10.3178 10.4327 10.4327 11.1942 11.1942 11.9019 11.9019 k = 0.7549-0.2754-0.7173 ( 4108 PWs) bands (ev): -16.5832 -16.5832 -16.5764 -16.5764 -13.6232 -13.6232 -13.6126 -13.6126 -13.5899 -13.5899 -5.0729 -5.0729 -4.5193 -4.5193 -4.2046 -4.2046 -4.1569 -4.1569 -2.6327 -2.6327 -2.0529 -2.0529 -2.0453 -2.0453 -2.0139 -2.0139 2.0100 2.0100 3.5270 3.5270 4.1950 4.1950 4.8461 4.8461 5.6212 5.6212 5.8067 5.8067 6.7042 6.7042 10.3519 10.3519 10.4279 10.4279 11.2083 11.2083 11.9163 11.9163 k = 0.7481-0.2645-0.6962 ( 4110 PWs) bands (ev): -16.5832 -16.5832 -16.5765 -16.5765 -13.6234 -13.6234 -13.6123 -13.6123 -13.5901 -13.5901 -5.1250 -5.1250 -4.5148 -4.5148 -4.2094 -4.2094 -4.1614 -4.1614 -2.5791 -2.5791 -2.0538 -2.0538 -2.0445 -2.0445 -2.0098 -2.0098 1.9983 1.9983 3.5669 3.5669 4.2415 4.2415 4.8853 4.8853 5.6055 5.6055 5.7878 5.7878 6.7063 6.7063 10.3694 10.3694 10.4220 10.4220 11.2311 11.2311 11.9102 11.9102 k = 0.7414-0.2535-0.6750 ( 4110 PWs) bands (ev): -16.5832 -16.5832 -16.5765 -16.5765 -13.6235 -13.6235 -13.6121 -13.6121 -13.5903 -13.5903 -5.1782 -5.1782 -4.5116 -4.5116 -4.2141 -4.2141 -4.1659 -4.1659 -2.5249 -2.5249 -2.0547 -2.0547 -2.0434 -2.0434 -2.0039 -2.0039 1.9893 1.9893 3.6061 3.6061 4.2845 4.2845 4.9195 4.9195 5.5919 5.5919 5.7848 5.7848 6.7113 6.7113 10.3495 10.3495 10.4380 10.4380 11.2608 11.2608 11.8779 11.8779 k = 0.7347-0.2426-0.6539 ( 4112 PWs) bands (ev): -16.5832 -16.5832 -16.5766 -16.5766 -13.6236 -13.6236 -13.6118 -13.6118 -13.5904 -13.5904 -5.2322 -5.2322 -4.5099 -4.5099 -4.2186 -4.2186 -4.1704 -4.1704 -2.4710 -2.4710 -2.0557 -2.0557 -2.0425 -2.0425 -1.9953 -1.9953 1.9830 1.9830 3.6440 3.6440 4.3230 4.3230 4.9500 4.9500 5.5804 5.5804 5.7991 5.7991 6.7188 6.7188 10.3082 10.3082 10.4621 10.4621 11.2951 11.2951 11.8213 11.8213 k = 0.7280-0.2316-0.6328 ( 4110 PWs) bands (ev): -16.5832 -16.5832 -16.5767 -16.5767 -13.6236 -13.6236 -13.6116 -13.6116 -13.5907 -13.5907 -5.2868 -5.2868 -4.5096 -4.5096 -4.2229 -4.2229 -4.1748 -4.1748 -2.4185 -2.4185 -2.0566 -2.0566 -2.0417 -2.0417 -1.9832 -1.9832 1.9793 1.9793 3.6802 3.6802 4.3557 4.3557 4.9788 4.9788 5.5713 5.5713 5.8301 5.8301 6.7283 6.7283 10.2570 10.2570 10.4844 10.4844 11.3320 11.3320 11.7473 11.7473 k = 0.7213-0.2207-0.6116 ( 4122 PWs) bands (ev): -16.5831 -16.5831 -16.5767 -16.5767 -13.6236 -13.6236 -13.6113 -13.6113 -13.5909 -13.5909 -5.3417 -5.3417 -4.5108 -4.5108 -4.2269 -4.2269 -4.1792 -4.1792 -2.3687 -2.3687 -2.0575 -2.0575 -2.0412 -2.0412 -1.9664 -1.9664 1.9780 1.9780 3.7143 3.7143 4.3820 4.3820 5.0085 5.0085 5.5657 5.5657 5.8757 5.8757 6.7393 6.7393 10.1993 10.1993 10.5029 10.5029 11.3688 11.3688 11.6640 11.6640 k = 0.7146-0.2097-0.5905 ( 4124 PWs) bands (ev): -16.5831 -16.5831 -16.5768 -16.5768 -13.6236 -13.6236 -13.6112 -13.6112 -13.5912 -13.5912 -5.3966 -5.3966 -4.5135 -4.5135 -4.2307 -4.2307 -4.1835 -4.1835 -2.3232 -2.3232 -2.0584 -2.0584 -2.0410 -2.0410 -1.9437 -1.9437 1.9787 1.9787 3.7461 3.7461 4.4017 4.4017 5.0412 5.0412 5.5647 5.5647 5.9334 5.9334 6.7516 6.7516 10.1369 10.1369 10.5166 10.5166 11.3987 11.3987 11.5824 11.5824 k = 0.7079-0.1987-0.5694 ( 4124 PWs) bands (ev): -16.5831 -16.5831 -16.5769 -16.5769 -13.6235 -13.6235 -13.6110 -13.6110 -13.5915 -13.5915 -5.4513 -5.4513 -4.5177 -4.5177 -4.2342 -4.2342 -4.1875 -4.1875 -2.2833 -2.2833 -2.0591 -2.0591 -2.0410 -2.0410 -1.9141 -1.9141 1.9813 1.9813 3.7754 3.7754 4.4155 4.4155 5.0779 5.0779 5.5693 5.5693 6.0006 6.0006 6.7650 6.7650 10.0707 10.0707 10.5249 10.5249 11.3934 11.3934 11.5334 11.5334 k = 0.7012-0.1878-0.5482 ( 4126 PWs) bands (ev): -16.5831 -16.5831 -16.5770 -16.5770 -13.6234 -13.6234 -13.6108 -13.6108 -13.5918 -13.5918 -5.5056 -5.5056 -4.5234 -4.5234 -4.2374 -4.2374 -4.1914 -4.1914 -2.2498 -2.2498 -2.0599 -2.0599 -2.0413 -2.0413 -1.8770 -1.8770 1.9853 1.9853 3.8021 3.8021 4.4249 4.4249 5.1190 5.1190 5.5798 5.5798 6.0753 6.0753 6.7795 6.7795 10.0016 10.0016 10.5271 10.5271 11.3263 11.3263 11.5459 11.5459 k = 0.6945-0.1768-0.5271 ( 4122 PWs) bands (ev): -16.5830 -16.5830 -16.5771 -16.5771 -13.6232 -13.6232 -13.6106 -13.6106 -13.5921 -13.5921 -5.5594 -5.5594 -4.5306 -4.5306 -4.2404 -4.2404 -4.1950 -4.1950 -2.2227 -2.2227 -2.0606 -2.0606 -2.0418 -2.0418 -1.8329 -1.8329 1.9904 1.9904 3.8267 3.8267 4.4315 4.4315 5.1640 5.1640 5.5966 5.5966 6.1559 6.1559 6.7949 6.7949 9.9298 9.9298 10.5224 10.5224 11.2363 11.2363 11.5825 11.5825 k = 0.6878-0.1659-0.5060 ( 4116 PWs) bands (ev): -16.5830 -16.5830 -16.5773 -16.5773 -13.6230 -13.6230 -13.6105 -13.6105 -13.5925 -13.5925 -5.6124 -5.6124 -4.5392 -4.5392 -4.2431 -4.2431 -4.1983 -4.1983 -2.2013 -2.2013 -2.0612 -2.0612 -2.0424 -2.0424 -1.7827 -1.7827 1.9962 1.9962 3.8494 3.8494 4.4370 4.4370 5.2119 5.2119 5.6194 5.6194 6.2408 6.2408 6.8113 6.8113 9.8559 9.8559 10.5101 10.5101 11.1433 11.1433 11.6247 11.6247 k = 0.6811-0.1549-0.4849 ( 4112 PWs) bands (ev): -16.5829 -16.5829 -16.5774 -16.5774 -13.6228 -13.6228 -13.6104 -13.6104 -13.5929 -13.5929 -5.6645 -5.6645 -4.5490 -4.5490 -4.2455 -4.2455 -4.2014 -4.2014 -2.1846 -2.1846 -2.0618 -2.0618 -2.0431 -2.0431 -1.7279 -1.7279 2.0024 2.0024 3.8708 3.8708 4.4429 4.4429 5.2620 5.2620 5.6479 5.6479 6.3291 6.3291 6.8289 6.8289 9.7798 9.7798 10.4887 10.4887 11.0534 11.0534 11.6677 11.6677 k = 0.6744-0.1440-0.4637 ( 4118 PWs) bands (ev): -16.5829 -16.5829 -16.5775 -16.5775 -13.6225 -13.6225 -13.6102 -13.6102 -13.5933 -13.5933 -5.7156 -5.7156 -4.5600 -4.5600 -4.2477 -4.2477 -4.2042 -4.2042 -2.1714 -2.1714 -2.0623 -2.0623 -2.0440 -2.0440 -1.6697 -1.6697 2.0085 2.0085 3.8917 3.8917 4.4506 4.4506 5.3132 5.3132 5.6816 5.6816 6.4197 6.4197 6.8480 6.8480 9.7018 9.7018 10.4571 10.4571 10.9698 10.9698 11.7088 11.7088 k = 0.6677-0.1330-0.4426 ( 4122 PWs) bands (ev): -16.5828 -16.5828 -16.5777 -16.5777 -13.6223 -13.6223 -13.6101 -13.6101 -13.5937 -13.5937 -5.7655 -5.7655 -4.5721 -4.5721 -4.2497 -4.2497 -4.2067 -4.2067 -2.1609 -2.1609 -2.0628 -2.0628 -2.0449 -2.0449 -1.6094 -1.6094 2.0141 2.0141 3.9128 3.9128 4.4611 4.4611 5.3648 5.3648 5.7195 5.7195 6.5115 6.5115 6.8687 6.8687 9.6219 9.6219 10.4140 10.4140 10.8949 10.8949 11.7453 11.7453 k = 0.6610-0.1220-0.4215 ( 4122 PWs) bands (ev): -16.5828 -16.5828 -16.5778 -16.5778 -13.6220 -13.6220 -13.6100 -13.6100 -13.5941 -13.5941 -5.8142 -5.8142 -4.5851 -4.5851 -4.2515 -4.2515 -4.2090 -4.2090 -2.1523 -2.1523 -2.0631 -2.0631 -2.0459 -2.0459 -1.5480 -1.5480 2.0189 2.0189 3.9349 3.9349 4.4752 4.4752 5.4163 5.4163 5.7607 5.7607 6.6037 6.6037 6.8915 6.8915 9.5402 9.5402 10.3595 10.3595 10.8300 10.8300 11.7743 11.7743 k = 0.6543-0.1111-0.4003 ( 4132 PWs) bands (ev): -16.5827 -16.5827 -16.5780 -16.5780 -13.6217 -13.6217 -13.6099 -13.6099 -13.5946 -13.5946 -5.8614 -5.8614 -4.5989 -4.5989 -4.2531 -4.2531 -4.2110 -4.2110 -2.1453 -2.1453 -2.0634 -2.0634 -2.0469 -2.0469 -1.4864 -1.4864 2.0227 2.0227 3.9587 3.9587 4.4935 4.4935 5.4672 5.4672 5.8042 5.8042 6.6948 6.6948 6.9171 6.9171 9.4567 9.4567 10.2947 10.2947 10.7745 10.7745 11.7933 11.7933 k = 0.6475-0.1001-0.3792 ( 4132 PWs) bands (ev): -16.5826 -16.5826 -16.5781 -16.5781 -13.6215 -13.6215 -13.6098 -13.6098 -13.5950 -13.5950 -5.9072 -5.9072 -4.6133 -4.6133 -4.2545 -4.2545 -4.2128 -4.2128 -2.1393 -2.1393 -2.0637 -2.0637 -2.0479 -2.0479 -1.4250 -1.4250 2.0253 2.0253 3.9849 3.9849 4.5166 4.5166 5.5171 5.5171 5.8487 5.8487 6.7827 6.7827 6.9470 6.9470 9.3715 9.3715 10.2222 10.2222 10.7267 10.7267 11.8011 11.8011 k = 0.6408-0.0892-0.3581 ( 4134 PWs) bands (ev): -16.5826 -16.5826 -16.5783 -16.5783 -13.6212 -13.6212 -13.6096 -13.6096 -13.5955 -13.5955 -5.9514 -5.9514 -4.6282 -4.6282 -4.2558 -4.2558 -4.2144 -4.2144 -2.1343 -2.1343 -2.0638 -2.0638 -2.0489 -2.0489 -1.3644 -1.3644 2.0264 2.0264 4.0140 4.0140 4.5448 4.5448 5.5659 5.5659 5.8932 5.8932 6.8630 6.8630 6.9848 6.9848 9.2850 9.2850 10.1453 10.1453 10.6844 10.6844 11.7988 11.7988 k = 0.6341-0.0782-0.3369 ( 4138 PWs) bands (ev): -16.5825 -16.5825 -16.5784 -16.5784 -13.6209 -13.6209 -13.6095 -13.6095 -13.5959 -13.5959 -5.9940 -5.9940 -4.6435 -4.6435 -4.2569 -4.2569 -4.2158 -4.2158 -2.1300 -2.1300 -2.0638 -2.0638 -2.0499 -2.0499 -1.3052 -1.3052 2.0259 2.0259 4.0465 4.0465 4.5783 4.5783 5.6132 5.6132 5.9367 5.9367 6.9277 6.9277 7.0373 7.0373 9.1976 9.1976 10.0666 10.0666 10.6453 10.6453 11.7893 11.7893 k = 0.6274-0.0673-0.3158 ( 4140 PWs) bands (ev): -16.5824 -16.5824 -16.5786 -16.5786 -13.6207 -13.6207 -13.6093 -13.6093 -13.5963 -13.5963 -6.0348 -6.0348 -4.6589 -4.6589 -4.2580 -4.2580 -4.2170 -4.2170 -2.1263 -2.1263 -2.0638 -2.0638 -2.0508 -2.0508 -1.2475 -1.2475 2.0240 2.0240 4.0826 4.0826 4.6173 4.6173 5.6591 5.6591 5.9783 5.9783 6.9738 6.9738 7.1059 7.1059 9.1099 9.1099 9.9886 9.9886 10.6080 10.6080 11.7754 11.7754 k = 0.6207-0.0563-0.2947 ( 4142 PWs) bands (ev): -16.5824 -16.5824 -16.5787 -16.5787 -13.6204 -13.6204 -13.6092 -13.6092 -13.5968 -13.5968 -6.0739 -6.0739 -4.6743 -4.6743 -4.2590 -4.2590 -4.2181 -4.2181 -2.1231 -2.1231 -2.0636 -2.0636 -2.0517 -2.0517 -1.1919 -1.1919 2.0206 2.0206 4.1226 4.1226 4.6619 4.6619 5.7033 5.7033 6.0173 6.0173 7.0082 7.0082 7.1820 7.1820 9.0228 9.0228 9.9131 9.9131 10.5715 10.5715 11.7597 11.7597 k = 0.6140-0.0454-0.2736 ( 4142 PWs) bands (ev): -16.5823 -16.5823 -16.5789 -16.5789 -13.6202 -13.6202 -13.6090 -13.6090 -13.5972 -13.5972 -6.1111 -6.1111 -4.6897 -4.6897 -4.2598 -4.2598 -4.2190 -4.2190 -2.1204 -2.1204 -2.0632 -2.0632 -2.0526 -2.0526 -1.1384 -1.1384 2.0158 2.0158 4.1667 4.1667 4.7120 4.7120 5.7457 5.7457 6.0532 6.0532 7.0356 7.0356 7.2586 7.2586 8.9373 8.9373 9.8420 9.8420 10.5353 10.5353 11.7440 11.7440 k = 0.6073-0.0344-0.2524 ( 4138 PWs) bands (ev): -16.5822 -16.5822 -16.5790 -16.5790 -13.6200 -13.6200 -13.6088 -13.6088 -13.5976 -13.5976 -6.1464 -6.1464 -4.7049 -4.7049 -4.2607 -4.2607 -4.2198 -4.2198 -2.1181 -2.1181 -2.0628 -2.0628 -2.0533 -2.0533 -1.0875 -1.0875 2.0099 2.0099 4.2147 4.2147 4.7673 4.7673 5.7864 5.7864 6.0859 6.0859 7.0565 7.0565 7.3321 7.3321 8.8549 8.8549 9.7765 9.7765 10.4995 10.4995 11.7293 11.7293 k = 0.6006-0.0234-0.2313 ( 4136 PWs) bands (ev): -16.5822 -16.5822 -16.5792 -16.5792 -13.6199 -13.6199 -13.6086 -13.6086 -13.5980 -13.5980 -6.1798 -6.1798 -4.7197 -4.7197 -4.2614 -4.2614 -4.2205 -4.2205 -2.1162 -2.1162 -2.0622 -2.0622 -2.0540 -2.0540 -1.0392 -1.0392 2.0030 2.0030 4.2667 4.2667 4.8278 4.8278 5.8251 5.8251 6.1153 6.1153 7.0698 7.0698 7.4006 7.4006 8.7770 8.7770 9.7183 9.7183 10.4641 10.4641 11.7157 11.7157 k = 0.5939-0.0125-0.2102 ( 4134 PWs) bands (ev): -16.5821 -16.5821 -16.5793 -16.5793 -13.6198 -13.6198 -13.6084 -13.6084 -13.5984 -13.5984 -6.2113 -6.2113 -4.7341 -4.7341 -4.2621 -4.2621 -4.2211 -4.2211 -2.1147 -2.1147 -2.0616 -2.0616 -2.0546 -2.0546 -0.9937 -0.9937 1.9952 1.9952 4.3226 4.3226 4.8928 4.8928 5.8619 5.8619 6.1416 6.1416 7.0735 7.0735 7.4627 7.4627 8.7048 8.7048 9.6689 9.6689 10.4299 10.4299 11.7030 11.7030 k = 0.5872-0.0015-0.1890 ( 4128 PWs) bands (ev): -16.5820 -16.5820 -16.5795 -16.5795 -13.6197 -13.6197 -13.6082 -13.6082 -13.5987 -13.5987 -6.2407 -6.2407 -4.7479 -4.7479 -4.2627 -4.2627 -4.2216 -4.2216 -2.1134 -2.1134 -2.0609 -2.0609 -2.0550 -2.0550 -0.9511 -0.9511 1.9869 1.9869 4.3821 4.3821 4.9621 4.9621 5.8968 5.8968 6.1651 6.1651 7.0655 7.0655 7.5171 7.5171 8.6398 8.6398 9.6297 9.6297 10.3975 10.3975 11.6899 11.6899 k = 0.5805 0.0094-0.1679 ( 4132 PWs) bands (ev): -16.5820 -16.5820 -16.5796 -16.5796 -13.6196 -13.6196 -13.6079 -13.6079 -13.5990 -13.5990 -6.2680 -6.2680 -4.7611 -4.7611 -4.2633 -4.2633 -4.2221 -4.2221 -2.1125 -2.1125 -2.0603 -2.0603 -2.0552 -2.0552 -0.9116 -0.9116 1.9783 1.9783 4.4449 4.4449 5.0349 5.0349 5.9295 5.9295 6.1861 6.1861 7.0442 7.0442 7.5625 7.5625 8.5826 8.5826 9.6022 9.6022 10.3678 10.3678 11.6748 11.6748 k = 0.5738 0.0204-0.1468 ( 4128 PWs) bands (ev): -16.5819 -16.5819 -16.5797 -16.5797 -13.6195 -13.6195 -13.6077 -13.6077 -13.5993 -13.5993 -6.2933 -6.2933 -4.7735 -4.7735 -4.2639 -4.2639 -4.2224 -4.2224 -2.1118 -2.1118 -2.0598 -2.0598 -2.0551 -2.0551 -0.8753 -0.8753 1.9695 1.9695 4.5107 4.5107 5.1108 5.1108 5.9602 5.9602 6.2052 6.2052 7.0091 7.0091 7.5976 7.5976 8.5339 8.5339 9.5872 9.5872 10.3419 10.3419 11.6554 11.6554 k = 0.5671 0.0313-0.1256 ( 4132 PWs) bands (ev): -16.5819 -16.5819 -16.5798 -16.5798 -13.6195 -13.6195 -13.6075 -13.6075 -13.5996 -13.5996 -6.3165 -6.3165 -4.7851 -4.7851 -4.2644 -4.2644 -4.2227 -4.2227 -2.1114 -2.1114 -2.0596 -2.0596 -2.0546 -2.0546 -0.8421 -0.8421 1.9607 1.9607 4.5788 4.5788 5.1889 5.1889 5.9886 5.9886 6.2229 6.2229 6.9603 6.9603 7.6213 7.6213 8.4938 8.4938 9.5850 9.5850 10.3209 10.3209 11.6293 11.6293 k = 0.5604 0.0423-0.1045 ( 4134 PWs) bands (ev): -16.5818 -16.5818 -16.5799 -16.5799 -13.6195 -13.6195 -13.6073 -13.6073 -13.5999 -13.5999 -6.3375 -6.3375 -4.7959 -4.7959 -4.2648 -4.2648 -4.2230 -4.2230 -2.1111 -2.1111 -2.0596 -2.0596 -2.0539 -2.0539 -0.8121 -0.8121 1.9523 1.9523 4.6486 4.6486 5.2687 5.2687 6.0145 6.0145 6.2399 6.2399 6.8991 6.8991 7.6325 7.6325 8.4622 8.4622 9.5949 9.5949 10.3061 10.3061 11.5942 11.5942 k = 0.5537 0.0532-0.0834 ( 4130 PWs) bands (ev): -16.5818 -16.5818 -16.5800 -16.5800 -13.6195 -13.6195 -13.6070 -13.6070 -13.6001 -13.6001 -6.3563 -6.3563 -4.8057 -4.8057 -4.2652 -4.2652 -4.2232 -4.2232 -2.1109 -2.1109 -2.0597 -2.0597 -2.0531 -2.0531 -0.7854 -0.7854 1.9442 1.9442 4.7190 4.7190 5.3493 5.3493 6.0376 6.0376 6.2566 6.2566 6.8276 6.8276 7.6312 7.6312 8.4387 8.4387 9.6150 9.6150 10.2989 10.2989 11.5484 11.5484 k = 0.5469 0.0642-0.0623 ( 4126 PWs) bands (ev): -16.5818 -16.5818 -16.5801 -16.5801 -13.6195 -13.6195 -13.6068 -13.6068 -13.6003 -13.6003 -6.3730 -6.3730 -4.8144 -4.8144 -4.2656 -4.2656 -4.2233 -4.2233 -2.1108 -2.1108 -2.0599 -2.0599 -2.0522 -2.0522 -0.7618 -0.7618 1.9368 1.9368 4.7888 4.7888 5.4301 5.4301 6.0574 6.0574 6.2737 6.2737 6.7482 6.7482 7.6179 7.6179 8.4227 8.4227 9.6422 9.6422 10.3010 10.3010 11.4913 11.4913 k = 0.5402 0.0752-0.0411 ( 4124 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6067 -13.6067 -13.6005 -13.6005 -6.3875 -6.3875 -4.8222 -4.8222 -4.2659 -4.2659 -4.2235 -4.2235 -2.1108 -2.1108 -2.0600 -2.0600 -2.0513 -2.0513 -0.7415 -0.7415 1.9301 1.9301 4.8564 4.8564 5.5105 5.5105 6.0734 6.0734 6.2915 6.2915 6.6637 6.6637 7.5949 7.5949 8.4130 8.4130 9.6730 9.6730 10.3140 10.3140 11.4236 11.4236 k = 0.5335 0.0861-0.0200 ( 4114 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6065 -13.6065 -13.6006 -13.6006 -6.3998 -6.3998 -4.8288 -4.8288 -4.2662 -4.2662 -4.2236 -4.2236 -2.1108 -2.1108 -2.0602 -2.0602 -2.0505 -2.0505 -0.7243 -0.7243 1.9242 1.9242 4.9199 4.9199 5.5902 5.5902 6.0844 6.0844 6.3099 6.3099 6.5772 6.5772 7.5650 7.5650 8.4082 8.4082 9.7035 9.7035 10.3389 10.3389 11.3474 11.3474 k = 0.5268 0.0971 0.0011 ( 4122 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6196 -13.6196 -13.6064 -13.6064 -13.6008 -13.6008 -6.4099 -6.4099 -4.8342 -4.8342 -4.2664 -4.2664 -4.2237 -4.2237 -2.1109 -2.1109 -2.0603 -2.0603 -2.0498 -2.0498 -0.7104 -0.7104 1.9193 1.9193 4.9770 4.9770 5.6691 5.6691 6.0889 6.0889 6.3280 6.3280 6.4929 6.4929 7.5322 7.5322 8.4066 8.4066 9.7305 9.7305 10.3754 10.3754 11.2664 11.2664 k = 0.5201 0.1080 0.0223 ( 4122 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6196 -13.6196 -13.6063 -13.6063 -13.6008 -13.6008 -6.4177 -6.4177 -4.8385 -4.8385 -4.2666 -4.2666 -4.2237 -4.2237 -2.1109 -2.1109 -2.0604 -2.0604 -2.0492 -2.0492 -0.6995 -0.6995 1.9153 1.9153 5.0252 5.0252 5.7471 5.7471 6.0840 6.0840 6.3432 6.3432 6.4175 6.4175 7.5005 7.5005 8.4069 8.4069 9.7520 9.7520 10.4207 10.4207 11.1855 11.1855 k = 0.5134 0.1190 0.0434 ( 4122 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6062 -13.6062 -13.6009 -13.6009 -6.4233 -6.4233 -4.8415 -4.8415 -4.2667 -4.2667 -4.2238 -4.2238 -2.1110 -2.1110 -2.0605 -2.0605 -2.0488 -2.0488 -0.6918 -0.6918 1.9125 1.9125 5.0619 5.0619 5.8239 5.8239 6.0645 6.0645 6.3373 6.3373 6.3750 6.3750 7.4741 7.4741 8.4080 8.4080 9.7671 9.7671 10.4684 10.4684 11.1122 11.1122 k = 0.5067 0.1299 0.0645 ( 4120 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4267 -6.4267 -4.8434 -4.8434 -4.2667 -4.2667 -4.2238 -4.2238 -2.1110 -2.1110 -2.0606 -2.0606 -2.0486 -2.0486 -0.6871 -0.6871 1.9108 1.9108 5.0850 5.0850 5.8985 5.8985 6.0255 6.0255 6.3050 6.3050 6.3771 6.3771 7.4566 7.4566 8.4089 8.4089 9.7759 9.7759 10.5074 10.5074 11.0580 11.0580 k = 0.5000 0.1409 0.0856 ( 4122 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4278 -6.4278 -4.8440 -4.8440 -4.2668 -4.2668 -4.2238 -4.2238 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.6856 -0.6856 1.9102 1.9102 5.0928 5.0928 5.9644 5.9644 5.9713 5.9713 6.2926 6.2926 6.3797 6.3797 7.4505 7.4505 8.4093 8.4093 9.7788 9.7788 10.5230 10.5230 11.0373 11.0373 k = 0.5000 0.1409 0.0856 ( 4122 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4278 -6.4278 -4.8440 -4.8440 -4.2668 -4.2668 -4.2238 -4.2238 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.6856 -0.6856 1.9102 1.9102 5.0928 5.0928 5.9644 5.9644 5.9713 5.9713 6.2926 6.2926 6.3797 6.3797 7.4505 7.4505 8.4093 8.4093 9.7788 9.7788 10.5230 10.5230 11.0373 11.0373 k = 0.4773 0.1345 0.0818 ( 4113 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4281 -6.4281 -4.8433 -4.8433 -4.2668 -4.2668 -4.2238 -4.2238 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.6874 -0.6874 1.9125 1.9125 5.0925 5.0925 5.9649 5.9649 5.9711 5.9711 6.2922 6.2922 6.3801 6.3801 7.4508 7.4508 8.4063 8.4063 9.7760 9.7760 10.5212 10.5212 11.0424 11.0424 k = 0.4545 0.1281 0.0779 ( 4125 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4288 -6.4288 -4.8413 -4.8413 -4.2668 -4.2668 -4.2239 -4.2239 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.6929 -0.6929 1.9192 1.9192 5.0913 5.0913 5.9663 5.9663 5.9705 5.9705 6.2911 6.2911 6.3813 6.3813 7.4517 7.4517 8.3973 8.3973 9.7674 9.7674 10.5158 10.5158 11.0576 11.0576 k = 0.4318 0.1217 0.0740 ( 4131 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4300 -6.4300 -4.8380 -4.8380 -4.2668 -4.2668 -4.2240 -4.2240 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.7018 -0.7018 1.9303 1.9303 5.0895 5.0895 5.9686 5.9686 5.9696 5.9696 6.2893 6.2893 6.3831 6.3831 7.4533 7.4533 8.3827 8.3827 9.7538 9.7538 10.5070 10.5070 11.0822 11.0822 k = 0.4091 0.1153 0.0701 ( 4131 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4317 -6.4317 -4.8334 -4.8334 -4.2668 -4.2668 -4.2241 -4.2241 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.7139 -0.7139 1.9454 1.9454 5.0870 5.0870 5.9683 5.9683 5.9718 5.9718 6.2869 6.2869 6.3857 6.3857 7.4556 7.4556 8.3628 8.3628 9.7355 9.7355 10.4950 10.4950 11.1155 11.1155 k = 0.3864 0.1089 0.0662 ( 4137 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4337 -6.4337 -4.8277 -4.8277 -4.2668 -4.2668 -4.2242 -4.2242 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.7290 -0.7290 1.9642 1.9642 5.0838 5.0838 5.9668 5.9668 5.9758 5.9758 6.2838 6.2838 6.3888 6.3888 7.4586 7.4586 8.3380 8.3380 9.7135 9.7135 10.4803 10.4803 11.1565 11.1565 k = 0.3636 0.1025 0.0623 ( 4140 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4361 -6.4361 -4.8210 -4.8210 -4.2668 -4.2668 -4.2244 -4.2244 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.7466 -0.7466 1.9862 1.9862 5.0800 5.0800 5.9650 5.9650 5.9804 5.9804 6.2801 6.2801 6.3925 6.3925 7.4623 7.4623 8.3090 8.3090 9.6885 9.6885 10.4632 10.4632 11.2039 11.2039 k = 0.3409 0.0961 0.0584 ( 4137 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4388 -6.4388 -4.8134 -4.8134 -4.2668 -4.2668 -4.2246 -4.2246 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.7662 -0.7662 2.0110 2.0110 5.0757 5.0757 5.9629 5.9629 5.9856 5.9856 6.2760 6.2760 6.3967 6.3967 7.4670 7.4670 8.2764 8.2764 9.6613 9.6613 10.4442 10.4442 11.2567 11.2567 k = 0.3182 0.0897 0.0545 ( 4128 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4418 -6.4418 -4.8050 -4.8050 -4.2668 -4.2668 -4.2248 -4.2248 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.7875 -0.7875 2.0380 2.0380 5.0710 5.0710 5.9608 5.9608 5.9912 5.9912 6.2714 6.2714 6.4013 6.4013 7.4726 7.4726 8.2408 8.2408 9.6327 9.6327 10.4237 10.4237 11.3136 11.3136 k = 0.2955 0.0833 0.0506 ( 4128 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4449 -6.4449 -4.7960 -4.7960 -4.2668 -4.2668 -4.2251 -4.2251 -2.1110 -2.1110 -2.0605 -2.0605 -2.0485 -2.0485 -0.8100 -0.8100 2.0665 2.0665 5.0659 5.0659 5.9585 5.9585 5.9971 5.9971 6.2666 6.2666 6.4061 6.4061 7.4792 7.4792 8.2028 8.2028 9.6033 9.6033 10.4023 10.4023 11.3736 11.3736 k = 0.2727 0.0768 0.0467 ( 4128 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4482 -6.4482 -4.7866 -4.7866 -4.2668 -4.2668 -4.2253 -4.2253 -2.1110 -2.1110 -2.0605 -2.0605 -2.0485 -2.0485 -0.8331 -0.8331 2.0961 2.0961 5.0605 5.0605 5.9562 5.9562 6.0032 6.0032 6.2615 6.2615 6.4111 6.4111 7.4870 7.4870 8.1632 8.1632 9.5739 9.5739 10.3805 10.3805 11.4353 11.4353 k = 0.2500 0.0704 0.0428 ( 4116 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4515 -6.4515 -4.7770 -4.7770 -4.2668 -4.2668 -4.2256 -4.2256 -2.1109 -2.1109 -2.0605 -2.0605 -2.0485 -2.0485 -0.8564 -0.8564 2.1261 2.1261 5.0550 5.0550 5.9539 5.9539 6.0092 6.0092 6.2564 6.2564 6.4161 6.4161 7.4959 7.4959 8.1223 8.1223 9.5449 9.5449 10.3587 10.3587 11.4978 11.4978 k = 0.2273 0.0640 0.0389 ( 4116 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4547 -6.4547 -4.7674 -4.7674 -4.2667 -4.2667 -4.2259 -4.2259 -2.1109 -2.1109 -2.0605 -2.0605 -2.0485 -2.0485 -0.8794 -0.8794 2.1559 2.1559 5.0494 5.0494 5.9516 5.9516 6.0152 6.0152 6.2513 6.2513 6.4211 6.4211 7.5062 7.5062 8.0809 8.0809 9.5169 9.5169 10.3373 10.3373 11.5599 11.5599 k = 0.2045 0.0576 0.0350 ( 4104 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4579 -6.4579 -4.7579 -4.7579 -4.2667 -4.2667 -4.2262 -4.2262 -2.1109 -2.1109 -2.0605 -2.0605 -2.0485 -2.0485 -0.9017 -0.9017 2.1850 2.1850 5.0438 5.0438 5.9494 5.9494 6.0208 6.0208 6.2465 6.2465 6.4260 6.4260 7.5178 7.5178 8.0394 8.0394 9.4903 9.4903 10.3167 10.3167 11.6205 11.6205 k = 0.1818 0.0512 0.0311 ( 4098 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4609 -6.4609 -4.7488 -4.7488 -4.2667 -4.2667 -4.2265 -4.2265 -2.1109 -2.1109 -2.0605 -2.0605 -2.0485 -2.0485 -0.9228 -0.9228 2.2127 2.2127 5.0384 5.0384 5.9473 5.9473 6.0260 6.0260 6.2419 6.2419 6.4307 6.4307 7.5308 7.5308 7.9983 7.9983 9.4655 9.4655 10.2974 10.2974 11.6786 11.6786 k = 0.1591 0.0448 0.0273 ( 4104 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4637 -6.4637 -4.7403 -4.7403 -4.2667 -4.2667 -4.2268 -4.2268 -2.1109 -2.1109 -2.0605 -2.0605 -2.0485 -2.0485 -0.9424 -0.9424 2.2386 2.2386 5.0334 5.0334 5.9454 5.9454 6.0306 6.0306 6.2378 6.2378 6.4351 6.4351 7.5454 7.5454 7.9579 7.9579 9.4428 9.4428 10.2795 10.2795 11.7330 11.7330 k = 0.1364 0.0384 0.0234 ( 4102 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4663 -6.4663 -4.7324 -4.7324 -4.2667 -4.2667 -4.2271 -4.2271 -2.1109 -2.1109 -2.0605 -2.0605 -2.0485 -2.0485 -0.9601 -0.9601 2.2621 2.2621 5.0287 5.0287 5.9437 5.9437 6.0347 6.0347 6.2341 6.2341 6.4390 6.4390 7.5614 7.5614 7.9186 7.9186 9.4225 9.4225 10.2635 10.2635 11.7828 11.7828 k = 0.1136 0.0320 0.0195 ( 4096 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4685 -6.4685 -4.7255 -4.7255 -4.2667 -4.2667 -4.2273 -4.2273 -2.1109 -2.1109 -2.0605 -2.0605 -2.0485 -2.0485 -0.9756 -0.9756 2.2829 2.2829 5.0245 5.0245 5.9422 5.9422 6.0381 6.0381 6.2311 6.2311 6.4425 6.4425 7.5790 7.5790 7.8808 7.8808 9.4049 9.4049 10.2495 10.2495 11.8269 11.8269 k = 0.0909 0.0256 0.0156 ( 4096 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4704 -6.4704 -4.7196 -4.7196 -4.2667 -4.2667 -4.2275 -4.2275 -2.1109 -2.1109 -2.0604 -2.0604 -2.0485 -2.0485 -0.9887 -0.9887 2.3004 2.3004 5.0209 5.0209 5.9410 5.9410 6.0408 6.0408 6.2286 6.2286 6.4454 6.4454 7.5980 7.5980 7.8449 7.8449 9.3902 9.3902 10.2378 10.2378 11.8644 11.8644 k = 0.0682 0.0192 0.0117 ( 4105 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4719 -6.4719 -4.7149 -4.7149 -4.2667 -4.2667 -4.2277 -4.2277 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -0.9991 -0.9991 2.3144 2.3144 5.0180 5.0180 5.9400 5.9400 6.0429 6.0429 6.2267 6.2267 6.4478 6.4478 7.6180 7.6180 7.8115 7.8115 9.3786 9.3786 10.2285 10.2285 11.8946 11.8946 k = 0.0455 0.0128 0.0078 ( 4099 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4730 -6.4730 -4.7115 -4.7115 -4.2667 -4.2667 -4.2278 -4.2278 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -1.0067 -1.0067 2.3246 2.3246 5.0158 5.0158 5.9392 5.9392 6.0444 6.0444 6.2253 6.2253 6.4495 6.4495 7.6382 7.6382 7.7815 7.7815 9.3702 9.3702 10.2217 10.2217 11.9166 11.9166 k = 0.0227 0.0064 0.0039 ( 4099 PWs) bands (ev): -16.5817 -16.5817 -16.5804 -16.5804 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4736 -6.4736 -4.7094 -4.7094 -4.2667 -4.2667 -4.2279 -4.2279 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -1.0113 -1.0113 2.3308 2.3308 5.0145 5.0145 5.9388 5.9388 6.0452 6.0452 6.2245 6.2245 6.4505 6.4505 7.6560 7.6560 7.7579 7.7579 9.3651 9.3651 10.2177 10.2177 11.9301 11.9301 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4739 -6.4739 -4.7087 -4.7087 -4.2667 -4.2667 -4.2279 -4.2279 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -1.0128 -1.0128 2.3329 2.3329 5.0141 5.0141 5.9387 5.9387 6.0455 6.0455 6.2243 6.2243 6.4508 6.4508 7.6641 7.6641 7.7478 7.7478 9.3634 9.3634 10.2163 10.2163 11.9346 11.9346 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4739 -6.4739 -4.7087 -4.7087 -4.2667 -4.2667 -4.2279 -4.2279 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -1.0128 -1.0128 2.3329 2.3329 5.0141 5.0141 5.9387 5.9387 6.0455 6.0455 6.2243 6.2243 6.4508 6.4508 7.6641 7.6641 7.7478 7.7478 9.3634 9.3634 10.2163 10.2163 11.9346 11.9346 k = 0.0067-0.0110-0.0212 ( 4091 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4727 -6.4727 -4.7084 -4.7084 -4.2666 -4.2666 -4.2278 -4.2278 -2.1108 -2.1108 -2.0604 -2.0604 -2.0485 -2.0485 -1.0136 -1.0136 2.3305 2.3305 5.0134 5.0134 5.9333 5.9333 6.0413 6.0413 6.2261 6.2261 6.4465 6.4465 7.6597 7.6597 7.7581 7.7581 9.3708 9.3708 10.2221 10.2221 11.9296 11.9296 k = 0.0134-0.0219-0.0423 ( 4089 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6062 -13.6062 -13.6009 -13.6009 -6.4692 -6.4692 -4.7075 -4.7075 -4.2663 -4.2663 -4.2275 -4.2275 -2.1106 -2.1106 -2.0602 -2.0602 -2.0485 -2.0485 -1.0161 -1.0161 2.3234 2.3234 5.0111 5.0111 5.9155 5.9155 6.0310 6.0310 6.2303 6.2303 6.4353 6.4353 7.6444 7.6444 7.7903 7.7903 9.3924 9.3924 10.2395 10.2395 11.9148 11.9148 k = 0.0201-0.0329-0.0635 ( 4087 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6063 -13.6063 -13.6009 -13.6009 -6.4634 -6.4634 -4.7060 -4.7060 -4.2658 -4.2658 -4.2268 -4.2268 -2.1102 -2.1102 -2.0600 -2.0600 -2.0484 -2.0484 -1.0202 -1.0202 2.3118 2.3118 5.0067 5.0067 5.8823 5.8823 6.0196 6.0196 6.2337 6.2337 6.4221 6.4221 7.6176 7.6176 7.8429 7.8429 9.4273 9.4273 10.2684 10.2684 11.8903 11.8903 k = 0.0269-0.0439-0.0846 ( 4091 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6196 -13.6196 -13.6064 -13.6064 -13.6008 -13.6008 -6.4553 -6.4553 -4.7040 -4.7040 -4.2651 -4.2651 -4.2259 -4.2259 -2.1097 -2.1097 -2.0597 -2.0597 -2.0483 -2.0483 -1.0261 -1.0261 2.2961 2.2961 4.9993 4.9993 5.8334 5.8334 6.0094 6.0094 6.2331 6.2331 6.4128 6.4128 7.5814 7.5814 7.9110 7.9110 9.4741 9.4741 10.3081 10.3081 11.8565 11.8565 k = 0.0336-0.0548-0.1058 ( 4099 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6065 -13.6065 -13.6006 -13.6006 -6.4449 -6.4449 -4.7014 -4.7014 -4.2642 -4.2642 -4.2247 -4.2247 -2.1091 -2.1091 -2.0593 -2.0593 -2.0482 -2.0482 -1.0338 -1.0338 2.2767 2.2767 4.9877 4.9877 5.7719 5.7719 5.9997 5.9997 6.2266 6.2266 6.4119 6.4119 7.5385 7.5385 7.9897 7.9897 9.5310 9.5310 10.3583 10.3583 11.8139 11.8139 k = 0.0403-0.0658-0.1269 ( 4099 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6067 -13.6067 -13.6005 -13.6005 -6.4322 -6.4322 -4.6983 -4.6983 -4.2632 -4.2632 -4.2232 -4.2232 -2.1084 -2.1084 -2.0588 -2.0588 -2.0480 -2.0480 -1.0435 -1.0435 2.2542 2.2542 4.9704 4.9704 5.7020 5.7020 5.9883 5.9883 6.2152 6.2152 6.4207 6.4207 7.4916 7.4916 8.0747 8.0747 9.5968 9.5968 10.4180 10.4180 11.7633 11.7633 k = 0.0470-0.0768-0.1481 ( 4105 PWs) bands (ev): -16.5818 -16.5818 -16.5801 -16.5801 -13.6196 -13.6196 -13.6069 -13.6069 -13.6003 -13.6003 -6.4172 -6.4172 -4.6947 -4.6947 -4.2621 -4.2621 -4.2213 -4.2213 -2.1075 -2.1075 -2.0583 -2.0583 -2.0477 -2.0477 -1.0552 -1.0552 2.2293 2.2293 4.9455 4.9455 5.6277 5.6277 5.9734 5.9734 6.2020 6.2020 6.4379 6.4379 7.4428 7.4428 8.1629 8.1629 9.6701 9.6701 10.4860 10.4860 11.7057 11.7057 k = 0.0537-0.0877-0.1692 ( 4113 PWs) bands (ev): -16.5818 -16.5818 -16.5800 -16.5800 -13.6195 -13.6195 -13.6071 -13.6071 -13.6001 -13.6001 -6.3999 -6.3999 -4.6908 -4.6908 -4.2610 -4.2610 -4.2191 -4.2191 -2.1066 -2.1066 -2.0578 -2.0578 -2.0473 -2.0473 -1.0690 -1.0690 2.2026 2.2026 4.9111 4.9111 5.5527 5.5527 5.9535 5.9535 6.1899 6.1899 6.4617 6.4617 7.3942 7.3942 8.2514 8.2514 9.7496 9.7496 10.5609 10.5609 11.6426 11.6426 k = 0.0604-0.0987-0.1904 ( 4119 PWs) bands (ev): -16.5818 -16.5818 -16.5799 -16.5799 -13.6195 -13.6195 -13.6073 -13.6073 -13.5999 -13.5999 -6.3804 -6.3804 -4.6864 -4.6864 -4.2598 -4.2598 -4.2163 -4.2163 -2.1056 -2.1056 -2.0573 -2.0573 -2.0468 -2.0468 -1.0853 -1.0853 2.1749 2.1749 4.8657 4.8657 5.4795 5.4795 5.9278 5.9278 6.1810 6.1810 6.4908 6.4908 7.3473 7.3473 8.3385 8.3385 9.8340 9.8340 10.6406 10.6406 11.5760 11.5760 k = 0.0671-0.1097-0.2115 ( 4121 PWs) bands (ev): -16.5819 -16.5819 -16.5798 -16.5798 -13.6195 -13.6195 -13.6075 -13.6075 -13.5996 -13.5996 -6.3587 -6.3587 -4.6817 -4.6817 -4.2586 -4.2586 -4.2132 -4.2132 -2.1045 -2.1045 -2.0569 -2.0569 -2.0461 -2.0461 -1.1040 -1.1040 2.1468 2.1468 4.8087 4.8087 5.4097 5.4097 5.8961 5.8961 6.1764 6.1764 6.5244 6.5244 7.3033 7.3033 8.4227 8.4227 9.9217 9.9217 10.7225 10.7225 11.5089 11.5089 k = 0.0738-0.1206-0.2327 ( 4117 PWs) bands (ev): -16.5819 -16.5819 -16.5797 -16.5797 -13.6196 -13.6196 -13.6077 -13.6077 -13.5994 -13.5994 -6.3347 -6.3347 -4.6767 -4.6767 -4.2574 -4.2574 -4.2095 -4.2095 -2.1034 -2.1034 -2.0566 -2.0566 -2.0452 -2.0452 -1.1253 -1.1253 2.1192 2.1192 4.7404 4.7404 5.3432 5.3432 5.8592 5.8592 6.1764 6.1764 6.5618 6.5618 7.2632 7.2632 8.5031 8.5031 10.0102 10.0102 10.8027 10.8027 11.4461 11.4461 k = 0.0806-0.1316-0.2538 ( 4121 PWs) bands (ev): -16.5820 -16.5820 -16.5796 -16.5796 -13.6196 -13.6196 -13.6080 -13.6080 -13.5990 -13.5990 -6.3085 -6.3085 -4.6715 -4.6715 -4.2564 -4.2564 -4.2054 -4.2054 -2.1022 -2.1022 -2.0564 -2.0564 -2.0441 -2.0441 -1.1494 -1.1494 2.0928 2.0928 4.6624 4.6624 5.2787 5.2787 5.8179 5.8179 6.1808 6.1808 6.6026 6.6026 7.2274 7.2274 8.5791 8.5791 10.0963 10.0963 10.8751 10.8751 11.3948 11.3948 k = 0.0873-0.1426-0.2750 ( 4117 PWs) bands (ev): -16.5821 -16.5821 -16.5795 -16.5795 -13.6197 -13.6197 -13.6082 -13.6082 -13.5987 -13.5987 -6.2801 -6.2801 -4.6661 -4.6661 -4.2553 -4.2553 -4.2007 -4.2007 -2.1010 -2.1010 -2.0564 -2.0564 -2.0428 -2.0428 -1.1763 -1.1763 2.0681 2.0681 4.5769 4.5769 5.2143 5.2143 5.7732 5.7732 6.1892 6.1892 6.6463 6.6463 7.1962 7.1962 8.6507 8.6507 10.1745 10.1745 10.9314 10.9314 11.3660 11.3660 k = 0.0940-0.1535-0.2961 ( 4125 PWs) bands (ev): -16.5821 -16.5821 -16.5793 -16.5793 -13.6198 -13.6198 -13.6084 -13.6084 -13.5984 -13.5984 -6.2496 -6.2496 -4.6607 -4.6607 -4.2544 -4.2544 -4.1956 -4.1956 -2.0999 -2.0999 -2.0566 -2.0566 -2.0412 -2.0412 -1.2063 -1.2063 2.0458 2.0458 4.4861 4.4861 5.1484 5.1484 5.7259 5.7259 6.2016 6.2016 6.6926 6.6926 7.1697 7.1697 8.7176 8.7176 10.2378 10.2378 10.9652 10.9652 11.3692 11.3692 k = 0.1007-0.1645-0.3173 ( 4119 PWs) bands (ev): -16.5822 -16.5822 -16.5792 -16.5792 -13.6199 -13.6199 -13.6086 -13.6086 -13.5980 -13.5980 -6.2170 -6.2170 -4.6551 -4.6551 -4.2535 -4.2535 -4.1901 -4.1901 -2.0987 -2.0987 -2.0569 -2.0569 -2.0395 -2.0395 -1.2393 -1.2393 2.0264 2.0264 4.3921 4.3921 5.0796 5.0796 5.6767 5.6767 6.2175 6.2175 6.7411 6.7411 7.1478 7.1478 8.7800 8.7800 10.2768 10.2768 10.9829 10.9829 11.4018 11.4018 k = 0.1074-0.1755-0.3384 ( 4115 PWs) bands (ev): -16.5822 -16.5822 -16.5790 -16.5790 -13.6200 -13.6200 -13.6088 -13.6088 -13.5976 -13.5976 -6.1823 -6.1823 -4.6496 -4.6496 -4.2527 -4.2527 -4.1841 -4.1841 -2.0976 -2.0976 -2.0575 -2.0575 -2.0375 -2.0375 -1.2753 -1.2753 2.0105 2.0105 4.2964 4.2964 5.0071 5.0071 5.6260 5.6260 6.2365 6.2365 6.7914 6.7914 7.1301 7.1301 8.8379 8.8379 10.2842 10.2842 10.9991 10.9991 11.4491 11.4491 k = 0.1141-0.1864-0.3596 ( 4115 PWs) bands (ev): -16.5823 -16.5823 -16.5789 -16.5789 -13.6202 -13.6202 -13.6090 -13.6090 -13.5972 -13.5972 -6.1455 -6.1455 -4.6441 -4.6441 -4.2520 -4.2520 -4.1777 -4.1777 -2.0966 -2.0966 -2.0582 -2.0582 -2.0355 -2.0355 -1.3143 -1.3143 1.9984 1.9984 4.2004 4.2004 4.9308 4.9308 5.5739 5.5739 6.2584 6.2584 6.8430 6.8430 7.1166 7.1166 8.8913 8.8913 10.2591 10.2591 11.0195 11.0195 11.4973 11.4973 k = 0.1208-0.1974-0.3807 ( 4111 PWs) bands (ev): -16.5824 -16.5824 -16.5787 -16.5787 -13.6204 -13.6204 -13.6092 -13.6092 -13.5968 -13.5968 -6.1068 -6.1068 -4.6388 -4.6388 -4.2513 -4.2513 -4.1710 -4.1710 -2.0957 -2.0957 -2.0592 -2.0592 -2.0333 -2.0333 -1.3563 -1.3563 1.9904 1.9904 4.1052 4.1052 4.8508 4.8508 5.5205 5.5205 6.2827 6.2827 6.8953 6.8953 7.1071 7.1071 8.9402 8.9402 10.2077 10.2077 11.0363 11.0363 11.5419 11.5419 k = 0.1276-0.2084-0.4019 ( 4107 PWs) bands (ev): -16.5825 -16.5825 -16.5786 -16.5786 -13.6207 -13.6207 -13.6094 -13.6094 -13.5963 -13.5963 -6.0661 -6.0661 -4.6336 -4.6336 -4.2507 -4.2507 -4.1641 -4.1641 -2.0950 -2.0950 -2.0603 -2.0603 -2.0310 -2.0310 -1.4010 -1.4010 1.9869 1.9869 4.0116 4.0116 4.7676 4.7676 5.4658 5.4658 6.3089 6.3089 6.9473 6.9473 7.1019 7.1019 8.9841 8.9841 10.1388 10.1388 11.0362 11.0362 11.5881 11.5881 k = 0.1343-0.2193-0.4230 ( 4119 PWs) bands (ev): -16.5825 -16.5825 -16.5784 -16.5784 -13.6209 -13.6209 -13.6095 -13.6095 -13.5959 -13.5959 -6.0235 -6.0235 -4.6286 -4.6286 -4.2501 -4.2501 -4.1569 -4.1569 -2.0946 -2.0946 -2.0618 -2.0618 -2.0286 -2.0286 -1.4483 -1.4483 1.9879 1.9879 3.9203 3.9203 4.6819 4.6819 5.4098 5.4098 6.3365 6.3365 6.9965 6.9965 7.1026 7.1026 9.0225 9.0225 10.0603 10.0603 11.0115 11.0115 11.6434 11.6434 k = 0.1410-0.2303-0.4442 ( 4117 PWs) bands (ev): -16.5826 -16.5826 -16.5783 -16.5783 -13.6212 -13.6212 -13.6096 -13.6096 -13.5955 -13.5955 -5.9790 -5.9790 -4.6238 -4.6238 -4.2495 -4.2495 -4.1496 -4.1496 -2.0946 -2.0946 -2.0634 -2.0634 -2.0262 -2.0262 -1.4978 -1.4978 1.9936 1.9936 3.8317 3.8317 4.5943 4.5943 5.3524 5.3524 6.3650 6.3650 7.0363 7.0363 7.1152 7.1152 9.0545 9.0545 9.9784 9.9784 10.9648 10.9648 11.7090 11.7090 k = 0.1477-0.2413-0.4653 ( 4119 PWs) bands (ev): -16.5827 -16.5827 -16.5781 -16.5781 -13.6215 -13.6215 -13.6098 -13.6098 -13.5950 -13.5950 -5.9328 -5.9328 -4.6193 -4.6193 -4.2490 -4.2490 -4.1423 -4.1423 -2.0954 -2.0954 -2.0651 -2.0651 -2.0238 -2.0238 -1.5491 -1.5491 2.0040 2.0040 3.7464 3.7464 4.5054 4.5054 5.2936 5.2936 6.3936 6.3936 7.0579 7.0579 7.1477 7.1477 9.0786 9.0786 9.8978 9.8978 10.9037 10.9037 11.7805 11.7805 k = 0.1544-0.2522-0.4865 ( 4119 PWs) bands (ev): -16.5827 -16.5827 -16.5780 -16.5780 -13.6217 -13.6217 -13.6099 -13.6099 -13.5946 -13.5946 -5.8849 -5.8849 -4.6151 -4.6151 -4.2485 -4.2485 -4.1350 -4.1350 -2.0973 -2.0973 -2.0669 -2.0669 -2.0214 -2.0214 -1.6018 -1.6018 2.0191 2.0191 3.6646 3.6646 4.4160 4.4160 5.2335 5.2335 6.4220 6.4220 7.0668 7.0668 7.1936 7.1936 9.0929 9.0929 9.8231 9.8231 10.8357 10.8357 11.8520 11.8520 k = 0.1611-0.2632-0.5076 ( 4121 PWs) bands (ev): -16.5828 -16.5828 -16.5778 -16.5778 -13.6220 -13.6220 -13.6100 -13.6100 -13.5941 -13.5941 -5.8354 -5.8354 -4.6112 -4.6112 -4.2480 -4.2480 -4.1277 -4.1277 -2.1010 -2.1010 -2.0685 -2.0685 -2.0191 -2.0191 -1.6551 -1.6551 2.0387 2.0387 3.5868 3.5868 4.3266 4.3266 5.1721 5.1721 6.4493 6.4493 7.0719 7.0719 7.2433 7.2433 9.0955 9.0955 9.7581 9.7581 10.7662 10.7662 11.9182 11.9182 k = 0.1678-0.2742-0.5288 ( 4113 PWs) bands (ev): -16.5828 -16.5828 -16.5777 -16.5777 -13.6223 -13.6223 -13.6101 -13.6101 -13.5937 -13.5937 -5.7843 -5.7843 -4.6076 -4.6076 -4.2476 -4.2476 -4.1207 -4.1207 -2.1072 -2.1072 -2.0696 -2.0696 -2.0168 -2.0168 -1.7082 -1.7082 2.0627 2.0627 3.5131 3.5131 4.2380 4.2380 5.1095 5.1095 6.4749 6.4749 7.0760 7.0760 7.2928 7.2928 9.0848 9.0848 9.7062 9.7062 10.6991 10.6991 11.9752 11.9752 k = 0.1746-0.2851-0.5500 ( 4107 PWs) bands (ev): -16.5829 -16.5829 -16.5775 -16.5775 -13.6226 -13.6226 -13.6103 -13.6103 -13.5933 -13.5933 -5.7319 -5.7319 -4.6044 -4.6044 -4.2471 -4.2471 -4.1139 -4.1139 -2.1171 -2.1171 -2.0702 -2.0702 -2.0147 -2.0147 -1.7599 -1.7599 2.0909 2.0909 3.4437 3.4437 4.1506 4.1506 5.0458 5.0458 6.4982 6.4982 7.0800 7.0800 7.3403 7.3403 9.0607 9.0607 9.6687 9.6687 10.6370 10.6370 12.0205 12.0205 k = 0.1813-0.2961-0.5711 ( 4103 PWs) bands (ev): -16.5829 -16.5829 -16.5774 -16.5774 -13.6228 -13.6228 -13.6104 -13.6104 -13.5929 -13.5929 -5.6780 -5.6780 -4.6015 -4.6015 -4.2466 -4.2466 -4.1075 -4.1075 -2.1318 -2.1318 -2.0703 -2.0703 -2.0127 -2.0127 -1.8086 -1.8086 2.1229 2.1229 3.3789 3.3789 4.0652 4.0652 4.9811 4.9811 6.5184 6.5184 7.0840 7.0840 7.3841 7.3841 9.0260 9.0260 9.6448 9.6448 10.5816 10.5816 12.0532 12.0532 k = 0.1880-0.3071-0.5923 ( 4119 PWs) bands (ev): -16.5830 -16.5830 -16.5773 -16.5773 -13.6230 -13.6230 -13.6105 -13.6105 -13.5925 -13.5925 -5.6230 -5.6230 -4.5990 -4.5990 -4.2461 -4.2461 -4.1015 -4.1015 -2.1526 -2.1526 -2.0701 -2.0701 -2.0108 -2.0108 -1.8526 -1.8526 2.1584 2.1584 3.3187 3.3187 3.9823 3.9823 4.9156 4.9156 6.5349 6.5349 7.0880 7.0880 7.4229 7.4229 8.9851 8.9851 9.6319 9.6319 10.5341 10.5341 12.0743 12.0743 k = 0.1947-0.3180-0.6134 ( 4119 PWs) bands (ev): -16.5830 -16.5830 -16.5771 -16.5771 -13.6232 -13.6232 -13.6107 -13.6107 -13.5921 -13.5921 -5.5670 -5.5670 -4.5969 -4.5969 -4.2455 -4.2455 -4.0961 -4.0961 -2.1809 -2.1809 -2.0695 -2.0695 -2.0092 -2.0092 -1.8901 -1.8901 2.1969 2.1969 3.2632 3.2632 3.9027 3.9027 4.8494 4.8494 6.5470 6.5470 7.0918 7.0918 7.4549 7.4549 8.9433 8.9433 9.6270 9.6270 10.4950 10.4950 12.0859 12.0859 k = 0.2014-0.3290-0.6346 ( 4119 PWs) bands (ev): -16.5831 -16.5831 -16.5770 -16.5770 -13.6234 -13.6234 -13.6108 -13.6108 -13.5918 -13.5918 -5.5100 -5.5100 -4.5952 -4.5952 -4.2449 -4.2449 -4.0912 -4.0912 -2.2172 -2.2172 -2.0688 -2.0688 -2.0077 -2.0077 -1.9202 -1.9202 2.2380 2.2380 3.2124 3.2124 3.8270 3.8270 4.7827 4.7827 6.5542 6.5542 7.0953 7.0953 7.4785 7.4785 8.9057 8.9057 9.6275 9.6275 10.4644 10.4644 12.0903 12.0903 k = 0.2081-0.3400-0.6557 ( 4121 PWs) bands (ev): -16.5831 -16.5831 -16.5769 -16.5769 -13.6235 -13.6235 -13.6110 -13.6110 -13.5915 -13.5915 -5.4523 -5.4523 -4.5939 -4.5939 -4.2442 -4.2442 -4.0870 -4.0870 -2.2607 -2.2607 -2.0680 -2.0680 -2.0065 -2.0065 -1.9432 -1.9432 2.2809 2.2809 3.1664 3.1664 3.7562 3.7562 4.7158 4.7158 6.5560 6.5560 7.0983 7.0983 7.4921 7.4921 8.8765 8.8765 9.6319 9.6319 10.4421 10.4421 12.0898 12.0898 k = 0.2148-0.3510-0.6769 ( 4123 PWs) bands (ev): -16.5831 -16.5831 -16.5768 -16.5768 -13.6236 -13.6236 -13.6112 -13.6112 -13.5912 -13.5912 -5.3941 -5.3941 -4.5930 -4.5930 -4.2434 -4.2434 -4.0835 -4.0835 -2.3100 -2.3100 -2.0671 -2.0671 -2.0056 -2.0056 -1.9603 -1.9603 2.3247 2.3247 3.1252 3.1252 3.6911 3.6911 4.6487 4.6487 6.5520 6.5520 7.1004 7.1004 7.4944 7.4944 8.8589 8.8589 9.6392 9.6392 10.4273 10.4273 12.0864 12.0864 k = 0.2215-0.3619-0.6980 ( 4117 PWs) bands (ev): -16.5831 -16.5831 -16.5767 -16.5767 -13.6236 -13.6236 -13.6114 -13.6114 -13.5909 -13.5909 -5.3355 -5.3355 -4.5925 -4.5925 -4.2424 -4.2424 -4.0808 -4.0808 -2.3631 -2.3631 -2.0661 -2.0661 -2.0049 -2.0049 -1.9731 -1.9731 2.3684 2.3684 3.0887 3.0887 3.6329 3.6329 4.5818 4.5818 6.5420 6.5420 7.1013 7.1013 7.4849 7.4849 8.8550 8.8550 9.6490 9.6490 10.4194 10.4194 12.0816 12.0816 k = 0.2283-0.3729-0.7192 ( 4111 PWs) bands (ev): -16.5832 -16.5832 -16.5767 -16.5767 -13.6236 -13.6236 -13.6116 -13.6116 -13.5907 -13.5907 -5.2769 -5.2769 -4.5924 -4.5924 -4.2413 -4.2413 -4.0788 -4.0788 -2.4184 -2.4184 -2.0651 -2.0651 -2.0046 -2.0046 -1.9826 -1.9826 2.4106 2.4106 3.0571 3.0571 3.5828 3.5828 4.5152 4.5152 6.5260 6.5260 7.1007 7.1007 7.4641 7.4641 8.8656 8.8656 9.6609 9.6609 10.4176 10.4176 12.0767 12.0767 k = 0.2350-0.3839-0.7403 ( 4115 PWs) bands (ev): -16.5832 -16.5832 -16.5766 -16.5766 -13.6236 -13.6236 -13.6118 -13.6118 -13.5904 -13.5904 -5.2185 -5.2185 -4.5927 -4.5927 -4.2399 -4.2399 -4.0777 -4.0777 -2.4748 -2.4748 -2.0641 -2.0641 -2.0045 -2.0045 -1.9900 -1.9900 2.4495 2.4495 3.0309 3.0309 3.5421 3.5421 4.4492 4.4492 6.5039 6.5039 7.0977 7.0977 7.4337 7.4337 8.8904 8.8904 9.6745 9.6745 10.4214 10.4214 12.0725 12.0725 k = 0.2417-0.3948-0.7615 ( 4103 PWs) bands (ev): -16.5832 -16.5832 -16.5765 -16.5765 -13.6235 -13.6235 -13.6121 -13.6121 -13.5902 -13.5902 -5.1607 -5.1607 -4.5935 -4.5935 -4.2381 -4.2381 -4.0775 -4.0775 -2.5311 -2.5311 -2.0631 -2.0631 -2.0049 -2.0049 -1.9957 -1.9957 2.4828 2.4828 3.0106 3.0106 3.5121 3.5121 4.3841 4.3841 6.4761 6.4761 7.0913 7.0913 7.3962 7.3962 8.9284 8.9284 9.6892 9.6892 10.4306 10.4306 12.0698 12.0698 k = 0.2484-0.4058-0.7826 ( 4097 PWs) bands (ev): -16.5832 -16.5832 -16.5765 -16.5765 -13.6234 -13.6234 -13.6124 -13.6124 -13.5901 -13.5901 -5.1037 -5.1037 -4.5947 -4.5947 -4.2361 -4.2361 -4.0780 -4.0780 -2.5867 -2.5867 -2.0621 -2.0621 -2.0057 -2.0057 -2.0001 -2.0001 2.5083 2.5083 2.9975 2.9975 3.4940 3.4940 4.3203 4.3203 6.4429 6.4429 7.0798 7.0798 7.3551 7.3551 8.9781 8.9781 9.7038 9.7038 10.4453 10.4453 12.0689 12.0689 k = 0.2551-0.4168-0.8038 ( 4101 PWs) bands (ev): -16.5832 -16.5832 -16.5764 -16.5764 -13.6232 -13.6232 -13.6127 -13.6127 -13.5899 -13.5899 -5.0480 -5.0480 -4.5963 -4.5963 -4.2335 -4.2335 -4.0794 -4.0794 -2.6407 -2.6407 -2.0611 -2.0611 -2.0073 -2.0073 -2.0032 -2.0032 2.5236 2.5236 2.9924 2.9924 3.4884 3.4884 4.2580 4.2580 6.4048 6.4048 7.0608 7.0608 7.3146 7.3146 9.0379 9.0379 9.7173 9.7173 10.4660 10.4660 12.0701 12.0701 k = 0.2618-0.4277-0.8249 ( 4103 PWs) bands (ev): -16.5832 -16.5832 -16.5764 -16.5764 -13.6230 -13.6230 -13.6130 -13.6130 -13.5898 -13.5898 -4.9941 -4.9941 -4.5984 -4.5984 -4.2304 -4.2304 -4.0816 -4.0816 -2.6927 -2.6927 -2.0601 -2.0601 -2.0097 -2.0097 -2.0051 -2.0051 2.5278 2.5278 2.9959 2.9959 3.4955 3.4955 4.1978 4.1978 6.3623 6.3623 7.0315 7.0315 7.2792 7.2792 9.1063 9.1063 9.7281 9.7281 10.4933 10.4933 12.0732 12.0732 k = 0.2685-0.4387-0.8461 ( 4103 PWs) bands (ev): -16.5831 -16.5831 -16.5764 -16.5764 -13.6227 -13.6227 -13.6133 -13.6133 -13.5897 -13.5897 -4.9425 -4.9425 -4.6010 -4.6010 -4.2266 -4.2266 -4.0846 -4.0846 -2.7421 -2.7421 -2.0592 -2.0592 -2.0122 -2.0122 -2.0067 -2.0067 2.5213 2.5213 3.0072 3.0072 3.5149 3.5149 4.1404 4.1404 6.3162 6.3162 6.9908 6.9908 7.2517 7.2517 9.1819 9.1819 9.7349 9.7349 10.5281 10.5281 12.0777 12.0777 k = 0.2753-0.4497-0.8672 ( 4103 PWs) bands (ev): -16.5831 -16.5831 -16.5764 -16.5764 -13.6224 -13.6224 -13.6137 -13.6137 -13.5897 -13.5897 -4.8936 -4.8936 -4.6041 -4.6041 -4.2220 -4.2220 -4.0882 -4.0882 -2.7885 -2.7885 -2.0582 -2.0582 -2.0147 -2.0147 -2.0083 -2.0083 2.5059 2.5059 3.0246 3.0246 3.5453 3.5453 4.0866 4.0866 6.2670 6.2670 6.9396 6.9396 7.2321 7.2321 9.2634 9.2634 9.7368 9.7368 10.5710 10.5710 12.0828 12.0828 k = 0.2820-0.4606-0.8884 ( 4095 PWs) bands (ev): -16.5831 -16.5831 -16.5764 -16.5764 -13.6221 -13.6221 -13.6141 -13.6141 -13.5896 -13.5896 -4.8480 -4.8480 -4.6076 -4.6076 -4.2165 -4.2165 -4.0925 -4.0925 -2.8312 -2.8312 -2.0572 -2.0572 -2.0171 -2.0171 -2.0099 -2.0099 2.4841 2.4841 3.0462 3.0462 3.5846 3.5846 4.0378 4.0378 6.2153 6.2153 6.8809 6.8809 7.2186 7.2186 9.3495 9.3495 9.7335 9.7335 10.6221 10.6221 12.0876 12.0876 k = 0.2887-0.4716-0.9095 ( 4087 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6217 -13.6217 -13.6145 -13.6145 -13.5896 -13.5896 -4.8064 -4.8064 -4.6116 -4.6116 -4.2101 -4.2101 -4.0973 -4.0973 -2.8699 -2.8699 -2.0562 -2.0562 -2.0193 -2.0193 -2.0115 -2.0115 2.4583 2.4583 3.0701 3.0701 3.6298 3.6298 3.9962 3.9962 6.1619 6.1619 6.8176 6.8176 7.2092 7.2092 9.4385 9.4385 9.7256 9.7256 10.6813 10.6813 12.0904 12.0904 k = 0.2954-0.4826-0.9307 ( 4091 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6213 -13.6213 -13.6150 -13.6150 -13.5895 -13.5895 -4.7691 -4.7691 -4.6162 -4.6162 -4.2027 -4.2027 -4.1025 -4.1025 -2.9042 -2.9042 -2.0553 -2.0553 -2.0215 -2.0215 -2.0132 -2.0132 2.4303 2.4303 3.0946 3.0946 3.6763 3.6763 3.9660 3.9660 6.1074 6.1074 6.7518 6.7518 7.2025 7.2025 9.5260 9.5260 9.7169 9.7169 10.7479 10.7479 12.0896 12.0896 k = 0.3021-0.4935-0.9518 ( 4103 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6209 -13.6209 -13.6154 -13.6154 -13.5895 -13.5895 -4.7367 -4.7367 -4.6212 -4.6212 -4.1947 -4.1947 -4.1079 -4.1079 -2.9335 -2.9335 -2.0543 -2.0543 -2.0236 -2.0236 -2.0148 -2.0148 2.4018 2.4018 3.1180 3.1180 3.7169 3.7169 3.9540 3.9540 6.0524 6.0524 6.6853 6.6853 7.1975 7.1975 9.5951 9.5951 9.7244 9.7244 10.8210 10.8210 12.0833 12.0833 k = 0.3088-0.5045-0.9730 ( 4101 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6204 -13.6204 -13.6159 -13.6159 -13.5895 -13.5895 -4.7094 -4.7094 -4.6267 -4.6267 -4.1861 -4.1861 -4.1134 -4.1134 -2.9574 -2.9574 -2.0533 -2.0533 -2.0258 -2.0258 -2.0163 -2.0163 2.3738 2.3738 3.1382 3.1382 3.7436 3.7436 3.9684 3.9684 5.9975 5.9975 6.6194 6.6194 7.1936 7.1936 9.6105 9.6105 9.7834 9.7834 10.8992 10.8992 12.0695 12.0695 k = 0.3155-0.5155-0.9941 ( 4103 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6200 -13.6200 -13.6163 -13.6163 -13.5895 -13.5895 -4.6874 -4.6874 -4.6327 -4.6327 -4.1778 -4.1778 -4.1185 -4.1185 -2.9758 -2.9758 -2.0523 -2.0523 -2.0281 -2.0281 -2.0176 -2.0176 2.3472 2.3472 3.1534 3.1534 3.7570 3.7570 4.0090 4.0090 5.9433 5.9433 6.5548 6.5548 7.1907 7.1907 9.5900 9.5900 9.8764 9.8764 10.9809 10.9809 12.0467 12.0467 k = 0.3223-0.5264-1.0153 ( 4101 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6195 -13.6195 -13.6168 -13.6168 -13.5895 -13.5895 -4.6706 -4.6706 -4.6390 -4.6390 -4.1707 -4.1707 -4.1226 -4.1226 -2.9883 -2.9883 -2.0514 -2.0514 -2.0304 -2.0304 -2.0187 -2.0187 2.3226 2.3226 3.1614 3.1614 3.7671 3.7671 4.0666 4.0666 5.8904 5.8904 6.4925 6.4925 7.1885 7.1885 9.5576 9.5576 9.9795 9.9795 11.0637 11.0637 12.0145 12.0145 k = 0.3290-0.5374-1.0364 ( 4090 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6192 -13.6192 -13.6171 -13.6171 -13.5895 -13.5895 -4.6594 -4.6594 -4.6452 -4.6452 -4.1660 -4.1660 -4.1247 -4.1247 -2.9949 -2.9949 -2.0505 -2.0505 -2.0327 -2.0327 -2.0195 -2.0195 2.3007 2.3007 3.1611 3.1611 3.7822 3.7822 4.1323 4.1323 5.8393 5.8393 6.4333 6.4333 7.1871 7.1871 9.5195 9.5195 10.0869 10.0869 11.1444 11.1444 11.9740 11.9740 k = 0.3357-0.5484-1.0576 ( 4094 PWs) bands (ev): -16.5830 -16.5830 -16.5764 -16.5764 -13.6192 -13.6192 -13.6171 -13.6171 -13.5895 -13.5895 -4.6572 -4.6572 -4.6473 -4.6473 -4.1649 -4.1649 -4.1241 -4.1241 -2.9956 -2.9956 -2.0498 -2.0498 -2.0348 -2.0348 -2.0200 -2.0200 2.2817 2.2817 3.1522 3.1522 3.8062 3.8062 4.2010 4.2010 5.7907 5.7907 6.3779 6.3779 7.1864 7.1864 9.4776 9.4776 10.1965 10.1965 11.2178 11.2178 11.9290 11.9290 k = 0.3424-0.5593-1.0788 ( 4090 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6194 -13.6194 -13.6168 -13.6168 -13.5895 -13.5895 -4.6635 -4.6635 -4.6453 -4.6453 -4.1671 -4.1671 -4.1214 -4.1214 -2.9908 -2.9908 -2.0494 -2.0494 -2.0367 -2.0367 -2.0201 -2.0201 2.2659 2.2659 3.1355 3.1355 3.8394 3.8394 4.2698 4.2698 5.7452 5.7452 6.3272 6.3272 7.1866 7.1866 9.4329 9.4329 10.3072 10.3072 11.2754 11.2754 11.8869 11.8869 k = 0.6576-0.4184-0.9931 ( 4090 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6194 -13.6194 -13.6168 -13.6168 -13.5895 -13.5895 -4.6635 -4.6635 -4.6453 -4.6453 -4.1671 -4.1671 -4.1214 -4.1214 -2.9908 -2.9908 -2.0494 -2.0494 -2.0367 -2.0367 -2.0201 -2.0201 2.2659 2.2659 3.1355 3.1355 3.8394 3.8394 4.2698 4.2698 5.7452 5.7452 6.3272 6.3272 7.1866 7.1866 9.4329 9.4329 10.3072 10.3072 11.2754 11.2754 11.8869 11.8869 k = 0.6510-0.3951-0.9931 ( 4096 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6199 -13.6199 -13.6164 -13.6164 -13.5895 -13.5895 -4.6714 -4.6714 -4.6456 -4.6456 -4.1713 -4.1713 -4.1179 -4.1179 -2.9811 -2.9811 -2.0496 -2.0496 -2.0379 -2.0379 -2.0200 -2.0200 2.2539 2.2539 3.1132 3.1132 3.8797 3.8797 4.3351 4.3351 5.7043 5.7043 6.2828 6.2828 7.1877 7.1877 9.3871 9.3871 10.4157 10.4157 11.3045 11.3045 11.8587 11.8587 k = 0.6445-0.3718-0.9931 ( 4104 PWs) bands (ev): -16.5830 -16.5830 -16.5763 -16.5763 -13.6204 -13.6204 -13.6159 -13.6159 -13.5895 -13.5895 -4.6798 -4.6798 -4.6487 -4.6487 -4.1765 -4.1765 -4.1148 -4.1148 -2.9670 -2.9670 -2.0506 -2.0506 -2.0384 -2.0384 -2.0195 -2.0195 2.2454 2.2454 3.0866 3.0866 3.9257 3.9257 4.3969 4.3969 5.6675 5.6675 6.2446 6.2446 7.1899 7.1899 9.3395 9.3395 10.5236 10.5236 11.2957 11.2957 11.8508 11.8508 k = 0.6379-0.3485-0.9931 ( 4100 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6210 -13.6210 -13.6154 -13.6154 -13.5895 -13.5895 -4.6886 -4.6886 -4.6541 -4.6541 -4.1821 -4.1821 -4.1124 -4.1124 -2.9492 -2.9492 -2.0522 -2.0522 -2.0382 -2.0382 -2.0185 -2.0185 2.2406 2.2406 3.0571 3.0571 3.9752 3.9752 4.4541 4.4541 5.6356 5.6356 6.2133 6.2133 7.1935 7.1935 9.2906 9.2906 10.6296 10.6296 11.2484 11.2484 11.8562 11.8562 k = 0.6313-0.3252-0.9931 ( 4106 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6215 -13.6215 -13.6148 -13.6148 -13.5894 -13.5894 -4.6977 -4.6977 -4.6617 -4.6617 -4.1878 -4.1878 -4.1110 -4.1110 -2.9283 -2.9283 -2.0543 -2.0543 -2.0375 -2.0375 -2.0172 -2.0172 2.2394 2.2394 3.0258 3.0258 4.0259 4.0259 4.5059 4.5059 5.6091 5.6091 6.1897 6.1897 7.1985 7.1985 9.2403 9.2403 10.7320 10.7320 11.1726 11.1726 11.8539 11.8539 k = 0.6248-0.3019-0.9931 ( 4108 PWs) bands (ev): -16.5831 -16.5831 -16.5763 -16.5763 -13.6221 -13.6221 -13.6143 -13.6143 -13.5894 -13.5894 -4.7070 -4.7070 -4.6709 -4.6709 -4.1935 -4.1935 -4.1104 -4.1104 -2.9050 -2.9050 -2.0566 -2.0566 -2.0367 -2.0367 -2.0153 -2.0153 2.2421 2.2421 2.9937 2.9937 4.0755 4.0755 4.5518 4.5518 5.5887 5.5887 6.1745 6.1745 7.2054 7.2054 9.1888 9.1888 10.8268 10.8268 11.0803 11.0803 11.8267 11.8267 k = 0.6182-0.2786-0.9931 ( 4102 PWs) bands (ev): -16.5832 -16.5832 -16.5763 -16.5763 -13.6227 -13.6227 -13.6138 -13.6138 -13.5893 -13.5893 -4.7165 -4.7165 -4.6815 -4.6815 -4.1990 -4.1990 -4.1107 -4.1107 -2.8801 -2.8801 -2.0589 -2.0589 -2.0358 -2.0358 -2.0128 -2.0128 2.2484 2.2484 2.9614 2.9614 4.1214 4.1214 4.5921 4.5921 5.5751 5.5751 6.1679 6.1679 7.2142 7.2142 9.1361 9.1361 10.8927 10.8927 10.9967 10.9967 11.7778 11.7778 k = 0.6116-0.2553-0.9931 ( 4098 PWs) bands (ev): -16.5832 -16.5832 -16.5762 -16.5762 -13.6233 -13.6233 -13.6133 -13.6133 -13.5892 -13.5892 -4.7260 -4.7260 -4.6931 -4.6931 -4.2042 -4.2042 -4.1115 -4.1115 -2.8542 -2.8542 -2.0613 -2.0613 -2.0349 -2.0349 -2.0099 -2.0099 2.2585 2.2585 2.9294 2.9294 4.1611 4.1611 4.6271 4.6271 5.5693 5.5693 6.1699 6.1699 7.2254 7.2254 9.0821 9.0821 10.8322 10.8322 11.0189 11.0189 11.7233 11.7233 k = 0.6051-0.2320-0.9931 ( 4098 PWs) bands (ev): -16.5833 -16.5833 -16.5762 -16.5762 -13.6239 -13.6239 -13.6128 -13.6128 -13.5891 -13.5891 -4.7355 -4.7355 -4.7054 -4.7054 -4.2092 -4.2092 -4.1129 -4.1129 -2.8279 -2.8279 -2.0637 -2.0637 -2.0340 -2.0340 -2.0064 -2.0064 2.2721 2.2721 2.8982 2.8982 4.1925 4.1925 4.6575 4.6575 5.5723 5.5723 6.1798 6.1798 7.2391 7.2391 9.0267 9.0267 10.7193 10.7193 11.0670 11.0670 11.6811 11.6811 k = 0.5985-0.2087-0.9931 ( 4098 PWs) bands (ev): -16.5833 -16.5833 -16.5761 -16.5761 -13.6245 -13.6245 -13.6123 -13.6123 -13.5890 -13.5890 -4.7449 -4.7449 -4.7182 -4.7182 -4.2139 -4.2139 -4.1146 -4.1146 -2.8017 -2.8017 -2.0659 -2.0659 -2.0332 -2.0332 -2.0024 -2.0024 2.2892 2.2892 2.8681 2.8681 4.2140 4.2140 4.6837 4.6837 5.5852 5.5852 6.1966 6.1966 7.2556 7.2556 8.9694 8.9694 10.5998 10.5998 11.0875 11.0875 11.6668 11.6668 k = 0.5919-0.1854-0.9931 ( 4100 PWs) bands (ev): -16.5834 -16.5834 -16.5761 -16.5761 -13.6250 -13.6250 -13.6119 -13.6119 -13.5889 -13.5889 -4.7542 -4.7542 -4.7311 -4.7311 -4.2183 -4.2183 -4.1164 -4.1164 -2.7761 -2.7761 -2.0681 -2.0681 -2.0325 -2.0325 -1.9979 -1.9979 2.3095 2.3095 2.8392 2.8392 4.2248 4.2248 4.7058 4.7058 5.6090 5.6090 6.2189 6.2189 7.2750 7.2750 8.9102 8.9102 10.4791 10.4791 11.0735 11.0735 11.6868 11.6868 k = 0.5854-0.1621-0.9931 ( 4100 PWs) bands (ev): -16.5835 -16.5835 -16.5761 -16.5761 -13.6255 -13.6255 -13.6114 -13.6114 -13.5887 -13.5887 -4.7632 -4.7632 -4.7441 -4.7441 -4.2224 -4.2224 -4.1184 -4.1184 -2.7515 -2.7515 -2.0702 -2.0702 -2.0318 -2.0318 -1.9931 -1.9931 2.3328 2.3328 2.8119 2.8119 4.2253 4.2253 4.7235 4.7235 5.6444 5.6444 6.2450 6.2450 7.2974 7.2974 8.8486 8.8486 10.3598 10.3598 11.0329 11.0329 11.7344 11.7344 k = 0.5788-0.1388-0.9931 ( 4096 PWs) bands (ev): -16.5835 -16.5835 -16.5760 -16.5760 -13.6261 -13.6261 -13.6111 -13.6111 -13.5886 -13.5886 -4.7719 -4.7719 -4.7567 -4.7567 -4.2262 -4.2262 -4.1205 -4.1205 -2.7283 -2.7283 -2.0721 -2.0721 -2.0311 -2.0311 -1.9880 -1.9880 2.3587 2.3587 2.7862 2.7862 4.2165 4.2165 4.7365 4.7365 5.6913 5.6913 6.2736 6.2736 7.3228 7.3228 8.7843 8.7843 10.2434 10.2434 10.9781 10.9781 11.7978 11.7978 k = 0.5722-0.1155-0.9931 ( 4104 PWs) bands (ev): -16.5836 -16.5836 -16.5760 -16.5760 -13.6265 -13.6265 -13.6107 -13.6107 -13.5885 -13.5885 -4.7803 -4.7803 -4.7689 -4.7689 -4.2296 -4.2296 -4.1225 -4.1225 -2.7065 -2.7065 -2.0739 -2.0739 -2.0305 -2.0305 -1.9827 -1.9827 2.3867 2.3867 2.7624 2.7624 4.2001 4.2001 4.7447 4.7447 5.7489 5.7489 6.3031 6.3031 7.3508 7.3508 8.7168 8.7168 10.1317 10.1317 10.9183 10.9183 11.8681 11.8681 k = 0.5657-0.0922-0.9931 ( 4102 PWs) bands (ev): -16.5836 -16.5836 -16.5759 -16.5759 -13.6270 -13.6270 -13.6104 -13.6104 -13.5883 -13.5883 -4.7883 -4.7883 -4.7804 -4.7804 -4.2327 -4.2327 -4.1244 -4.1244 -2.6865 -2.6865 -2.0756 -2.0756 -2.0299 -2.0299 -1.9773 -1.9773 2.4165 2.4165 2.7405 2.7405 4.1777 4.1777 4.7486 4.7486 5.8155 5.8155 6.3325 6.3325 7.3813 7.3813 8.6460 8.6460 10.0261 10.0261 10.8592 10.8592 11.9394 11.9394 k = 0.5591-0.0689-0.9931 ( 4104 PWs) bands (ev): -16.5837 -16.5837 -16.5759 -16.5759 -13.6274 -13.6274 -13.6101 -13.6101 -13.5882 -13.5882 -4.7962 -4.7962 -4.7909 -4.7909 -4.2355 -4.2355 -4.1262 -4.1262 -2.6683 -2.6683 -2.0771 -2.0771 -2.0294 -2.0294 -1.9718 -1.9718 2.4472 2.4472 2.7207 2.7207 4.1509 4.1509 4.7490 4.7490 5.8891 5.8891 6.3610 6.3610 7.4135 7.4135 8.5719 8.5719 9.9280 9.9280 10.8040 10.8040 12.0081 12.0081 k = 0.5525-0.0456-0.9931 ( 4098 PWs) bands (ev): -16.5838 -16.5838 -16.5758 -16.5758 -13.6278 -13.6278 -13.6099 -13.6099 -13.5880 -13.5880 -4.8042 -4.8042 -4.7996 -4.7996 -4.2380 -4.2380 -4.1278 -4.1278 -2.6521 -2.6521 -2.0785 -2.0785 -2.0289 -2.0289 -1.9665 -1.9665 2.4783 2.4783 2.7031 2.7031 4.1214 4.1214 4.7466 4.7466 5.9669 5.9669 6.3884 6.3884 7.4467 7.4467 8.4948 8.4948 9.8386 9.8386 10.7543 10.7543 12.0714 12.0714 k = 0.5460-0.0222-0.9931 ( 4100 PWs) bands (ev): -16.5838 -16.5838 -16.5758 -16.5758 -13.6281 -13.6281 -13.6096 -13.6096 -13.5879 -13.5879 -4.8125 -4.8125 -4.8066 -4.8066 -4.2401 -4.2401 -4.1293 -4.1293 -2.6378 -2.6378 -2.0797 -2.0797 -2.0285 -2.0285 -1.9615 -1.9615 2.5086 2.5086 2.6880 2.6880 4.0907 4.0907 4.7425 4.7425 6.0459 6.0459 6.4148 6.4148 7.4802 7.4802 8.4154 8.4154 9.7587 9.7587 10.7111 10.7111 12.1269 12.1269 k = 0.5394 0.0011-0.9931 ( 4108 PWs) bands (ev): -16.5839 -16.5839 -16.5758 -16.5758 -13.6284 -13.6284 -13.6094 -13.6094 -13.5878 -13.5878 -4.8204 -4.8204 -4.8122 -4.8122 -4.2420 -4.2420 -4.1306 -4.1306 -2.6255 -2.6255 -2.0808 -2.0808 -2.0281 -2.0281 -1.9569 -1.9569 2.5372 2.5372 2.6757 2.6757 4.0601 4.0601 4.7374 4.7374 6.1227 6.1227 6.4408 6.4408 7.5129 7.5129 8.3351 8.3351 9.6891 9.6891 10.6747 10.6747 12.1724 12.1724 k = 0.5328 0.0244-0.9931 ( 4110 PWs) bands (ev): -16.5839 -16.5839 -16.5757 -16.5757 -13.6287 -13.6287 -13.6093 -13.6093 -13.5877 -13.5877 -4.8272 -4.8272 -4.8170 -4.8170 -4.2436 -4.2436 -4.1317 -4.1317 -2.6151 -2.6151 -2.0817 -2.0817 -2.0277 -2.0277 -1.9527 -1.9527 2.5623 2.5623 2.6668 2.6668 4.0310 4.0310 4.7321 4.7321 6.1930 6.1930 6.4675 6.4675 7.5442 7.5442 8.2559 8.2559 9.6301 9.6301 10.6450 10.6450 12.2056 12.2056 k = 0.5263 0.0477-0.9931 ( 4114 PWs) bands (ev): -16.5839 -16.5839 -16.5757 -16.5757 -13.6289 -13.6289 -13.6092 -13.6092 -13.5876 -13.5876 -4.8330 -4.8330 -4.8208 -4.8208 -4.2448 -4.2448 -4.1326 -4.1326 -2.6067 -2.6067 -2.0824 -2.0824 -2.0275 -2.0275 -1.9491 -1.9491 2.5823 2.5823 2.6622 2.6622 4.0049 4.0049 4.7271 4.7271 6.2525 6.2525 6.4959 6.4959 7.5731 7.5731 8.1808 8.1808 9.5820 9.5820 10.6217 10.6217 12.2252 12.2252 k = 0.5197 0.0710-0.9931 ( 4116 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6291 -13.6291 -13.6091 -13.6091 -13.5875 -13.5875 -4.8375 -4.8375 -4.8239 -4.8239 -4.2458 -4.2458 -4.1333 -4.1333 -2.6002 -2.6002 -2.0830 -2.0830 -2.0272 -2.0272 -1.9462 -1.9462 2.5952 2.5952 2.6625 2.6625 3.9829 3.9829 4.7228 4.7228 6.2977 6.2977 6.5256 6.5256 7.5987 7.5987 8.1135 8.1135 9.5447 9.5447 10.6044 10.6044 12.2323 12.2323 k = 0.5131 0.0943-0.9931 ( 4116 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6090 -13.6090 -13.5874 -13.5874 -4.8408 -4.8408 -4.8261 -4.8261 -4.2465 -4.2465 -4.1338 -4.1338 -2.5956 -2.5956 -2.0834 -2.0834 -2.0271 -2.0271 -1.9441 -1.9441 2.6015 2.6015 2.6665 2.6665 3.9663 3.9663 4.7195 4.7195 6.3280 6.3280 6.5531 6.5531 7.6198 7.6198 8.0587 8.0587 9.5181 9.5181 10.5926 10.5926 12.2313 12.2313 k = 0.5066 0.1176-0.9931 ( 4120 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.8428 -4.8428 -4.8274 -4.8274 -4.2469 -4.2469 -4.1341 -4.1341 -2.5929 -2.5929 -2.0837 -2.0837 -2.0270 -2.0270 -1.9428 -1.9428 2.6037 2.6037 2.6709 2.6709 3.9559 3.9559 4.7174 4.7174 6.3448 6.3448 6.5730 6.5730 7.6341 7.6341 8.0222 8.0222 9.5022 9.5022 10.5857 10.5857 12.2280 12.2280 k = 0.5000 0.1409-0.9931 ( 4132 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.8435 -4.8435 -4.8278 -4.8278 -4.2471 -4.2471 -4.1342 -4.1342 -2.5920 -2.5920 -2.0837 -2.0837 -2.0269 -2.0269 -1.9424 -1.9424 2.6042 2.6042 2.6726 2.6726 3.9524 3.9524 4.7167 4.7167 6.3502 6.3502 6.5803 6.5803 7.6393 7.6393 8.0093 8.0093 9.4969 9.4969 10.5834 10.5834 12.2264 12.2264 k = 0.5000 0.1409-0.9931 ( 4132 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.8435 -4.8435 -4.8278 -4.8278 -4.2471 -4.2471 -4.1342 -4.1342 -2.5920 -2.5920 -2.0837 -2.0837 -2.0269 -2.0269 -1.9424 -1.9424 2.6042 2.6042 2.6726 2.6726 3.9524 3.9524 4.7167 4.7167 6.3502 6.3502 6.5803 6.5803 7.6393 7.6393 8.0093 8.0093 9.4969 9.4969 10.5834 10.5834 12.2264 12.2264 k = 0.5197 0.1464-0.9824 ( 4120 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.8552 -4.8552 -4.8160 -4.8160 -4.2471 -4.2471 -4.1346 -4.1346 -2.5916 -2.5916 -2.0838 -2.0838 -2.0270 -2.0270 -1.9426 -1.9426 2.5793 2.5793 2.6997 2.6997 3.9533 3.9533 4.7183 4.7183 6.3456 6.3456 6.5744 6.5744 7.6231 7.6231 8.0261 8.0261 9.5071 9.5071 10.5874 10.5874 12.2280 12.2280 k = 0.5394 0.1520-0.9717 ( 4118 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.8723 -4.8723 -4.7987 -4.7987 -4.2471 -4.2471 -4.1355 -4.1355 -2.5905 -2.5905 -2.0838 -2.0838 -2.0272 -2.0272 -1.9431 -1.9431 2.5382 2.5382 2.7475 2.7475 3.9562 3.9562 4.7229 4.7229 6.3316 6.3316 6.5577 6.5577 7.5804 7.5804 8.0704 8.0704 9.5368 9.5368 10.5995 10.5995 12.2328 12.2328 k = 0.5591 0.1575-0.9610 ( 4115 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.8897 -4.8897 -4.7811 -4.7811 -4.2471 -4.2471 -4.1370 -4.1370 -2.5886 -2.5886 -2.0839 -2.0839 -2.0275 -2.0275 -1.9440 -1.9440 2.4964 2.4964 2.8001 2.8001 3.9611 3.9611 4.7306 4.7306 6.3066 6.3066 6.5333 6.5333 7.5214 7.5214 8.1324 8.1324 9.5843 9.5843 10.6196 10.6196 12.2408 12.2408 k = 0.5788 0.1631-0.9503 ( 4113 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9070 -4.9070 -4.7634 -4.7634 -4.2471 -4.2471 -4.1391 -4.1391 -2.5860 -2.5860 -2.0840 -2.0840 -2.0280 -2.0280 -1.9453 -1.9453 2.4562 2.4562 2.8551 2.8551 3.9678 3.9678 4.7414 4.7414 6.2693 6.2693 6.5049 6.5049 7.4527 7.4527 8.2053 8.2053 9.6471 9.6471 10.6474 10.6474 12.2517 12.2517 k = 0.5985 0.1686-0.9396 ( 4112 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5874 -13.5874 -4.9240 -4.9240 -4.7460 -4.7460 -4.2472 -4.2472 -4.1416 -4.1416 -2.5827 -2.5827 -2.0841 -2.0841 -2.0286 -2.0286 -1.9468 -1.9468 2.4183 2.4183 2.9117 2.9117 3.9763 3.9763 4.7554 4.7554 6.2189 6.2189 6.4762 6.4762 7.3782 7.3782 8.2857 8.2857 9.7221 9.7221 10.6827 10.6827 12.2654 12.2654 k = 0.6182 0.1742-0.9289 ( 4115 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5874 -13.5874 -4.9409 -4.9409 -4.7289 -4.7289 -4.2472 -4.2472 -4.1446 -4.1446 -2.5786 -2.5786 -2.0842 -2.0842 -2.0292 -2.0292 -1.9487 -1.9487 2.3829 2.3829 2.9692 2.9692 3.9867 3.9867 4.7725 4.7725 6.1566 6.1566 6.4486 6.4486 7.3001 7.3001 8.3714 8.3714 9.8065 9.8065 10.7251 10.7251 12.2812 12.2812 k = 0.6379 0.1797-0.9182 ( 4115 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9574 -4.9574 -4.7123 -4.7123 -4.2472 -4.2472 -4.1478 -4.1478 -2.5738 -2.5738 -2.0844 -2.0844 -2.0300 -2.0300 -1.9507 -1.9507 2.3500 2.3500 3.0271 3.0271 3.9989 3.9989 4.7928 4.7928 6.0847 6.0847 6.4225 6.4225 7.2197 7.2197 8.4613 8.4613 9.8973 9.8973 10.7737 10.7737 12.2976 12.2976 k = 0.6576 0.1853-0.9075 ( 4115 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9736 -4.9736 -4.6963 -4.6963 -4.2473 -4.2473 -4.1513 -4.1513 -2.5683 -2.5683 -2.0846 -2.0846 -2.0308 -2.0308 -1.9530 -1.9530 2.3198 2.3198 3.0847 3.0847 4.0127 4.0127 4.8164 4.8164 6.0064 6.0064 6.3973 6.3973 7.1383 7.1383 8.5543 8.5543 9.9921 9.9921 10.8276 10.8276 12.3105 12.3105 k = 0.6576 0.1853-0.9075 ( 4115 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9736 -4.9736 -4.6963 -4.6963 -4.2473 -4.2473 -4.1513 -4.1513 -2.5683 -2.5683 -2.0846 -2.0846 -2.0308 -2.0308 -1.9530 -1.9530 2.3198 2.3198 3.0847 3.0847 4.0127 4.0127 4.8164 4.8164 6.0064 6.0064 6.3973 6.3973 7.1383 7.1383 8.5543 8.5543 9.9921 9.9921 10.8276 10.8276 12.3105 12.3105 k = 0.6538 0.1842-0.8832 ( 4117 PWs) bands (ev): -16.5840 -16.5840 -16.5758 -16.5758 -13.6291 -13.6291 -13.6090 -13.6090 -13.5876 -13.5876 -5.0162 -5.0162 -4.6638 -4.6638 -4.2475 -4.2475 -4.1574 -4.1574 -2.5559 -2.5559 -2.0840 -2.0840 -2.0315 -2.0315 -1.9501 -1.9501 2.2925 2.2925 3.1531 3.1531 4.0197 4.0197 4.8104 4.8104 5.9682 5.9682 6.3997 6.3997 7.1322 7.1322 8.5638 8.5638 10.0367 10.0367 10.8390 10.8390 12.3257 12.3257 k = 0.6499 0.1831-0.8590 ( 4119 PWs) bands (ev): -16.5839 -16.5839 -16.5758 -16.5758 -13.6289 -13.6289 -13.6090 -13.6090 -13.5878 -13.5878 -5.0612 -5.0612 -4.6351 -4.6351 -4.2477 -4.2477 -4.1629 -4.1629 -2.5381 -2.5381 -2.0834 -2.0834 -2.0323 -2.0323 -1.9467 -1.9467 2.2677 2.2677 3.2204 3.2204 4.0303 4.0303 4.8071 4.8071 5.9305 5.9305 6.4035 6.4035 7.1304 7.1304 8.5727 8.5727 10.0823 10.0823 10.8552 10.8552 12.3366 12.3366 k = 0.6461 0.1820-0.8348 ( 4118 PWs) bands (ev): -16.5839 -16.5839 -16.5759 -16.5759 -13.6287 -13.6287 -13.6090 -13.6090 -13.5880 -13.5880 -5.1082 -5.1082 -4.6104 -4.6104 -4.2480 -4.2480 -4.1679 -4.1679 -2.5153 -2.5153 -2.0827 -2.0827 -2.0330 -2.0330 -1.9423 -1.9423 2.2451 2.2451 3.2859 3.2859 4.0445 4.0445 4.8064 4.8064 5.8948 5.8948 6.4085 6.4085 7.1325 7.1325 8.5808 8.5808 10.1277 10.1277 10.8764 10.8764 12.3381 12.3381 k = 0.6422 0.1810-0.8106 ( 4120 PWs) bands (ev): -16.5839 -16.5839 -16.5759 -16.5759 -13.6284 -13.6284 -13.6090 -13.6090 -13.5882 -13.5882 -5.1570 -5.1570 -4.5896 -4.5896 -4.2483 -4.2483 -4.1724 -4.1724 -2.4882 -2.4882 -2.0818 -2.0818 -2.0338 -2.0338 -1.9368 -1.9368 2.2246 2.2246 3.3491 3.3491 4.0625 4.0625 4.8080 4.8080 5.8627 5.8627 6.4145 6.4145 7.1384 7.1384 8.5883 8.5883 10.1714 10.1714 10.9025 10.9025 12.3273 12.3273 k = 0.6384 0.1799-0.7863 ( 4111 PWs) bands (ev): -16.5838 -16.5838 -16.5760 -16.5760 -13.6282 -13.6282 -13.6090 -13.6090 -13.5885 -13.5885 -5.2072 -5.2072 -4.5727 -4.5727 -4.2486 -4.2486 -4.1765 -4.1765 -2.4575 -2.4575 -2.0809 -2.0809 -2.0346 -2.0346 -1.9298 -1.9298 2.2062 2.2062 3.4094 3.4094 4.0841 4.0841 4.8116 4.8116 5.8358 5.8358 6.4214 6.4214 7.1475 7.1475 8.5952 8.5952 10.2124 10.2124 10.9331 10.9331 12.3089 12.3089 k = 0.6345 0.1788-0.7621 ( 4107 PWs) bands (ev): -16.5838 -16.5838 -16.5761 -16.5761 -13.6279 -13.6279 -13.6091 -13.6091 -13.5888 -13.5888 -5.2586 -5.2586 -4.5595 -4.5595 -4.2489 -4.2489 -4.1802 -4.1802 -2.4240 -2.4240 -2.0799 -2.0799 -2.0354 -2.0354 -1.9208 -1.9208 2.1895 2.1895 3.4665 3.4665 4.1093 4.1093 4.8171 4.8171 5.8157 5.8157 6.4291 6.4291 7.1595 7.1595 8.6017 8.6017 10.2501 10.2501 10.9672 10.9672 12.2856 12.2856 k = 0.6307 0.1777-0.7379 ( 4108 PWs) bands (ev): -16.5837 -16.5837 -16.5762 -16.5762 -13.6275 -13.6275 -13.6091 -13.6091 -13.5891 -13.5891 -5.3107 -5.3107 -4.5499 -4.5499 -4.2493 -4.2493 -4.1837 -4.1837 -2.3889 -2.3889 -2.0788 -2.0788 -2.0361 -2.0361 -1.9090 -1.9090 2.1746 2.1746 3.5201 3.5201 4.1376 4.1376 4.8241 4.8241 5.8036 5.8036 6.4373 6.4373 7.1741 7.1741 8.6077 8.6077 10.2838 10.2838 11.0034 11.0034 12.2577 12.2577 k = 0.6269 0.1766-0.7137 ( 4120 PWs) bands (ev): -16.5836 -16.5836 -16.5763 -16.5763 -13.6271 -13.6271 -13.6092 -13.6092 -13.5895 -13.5895 -5.3633 -5.3633 -4.5434 -4.5434 -4.2497 -4.2497 -4.1869 -4.1869 -2.3532 -2.3532 -2.0776 -2.0776 -2.0368 -2.0368 -1.8938 -1.8938 2.1611 2.1611 3.5702 3.5702 4.1686 4.1686 4.8326 4.8326 5.8010 5.8010 6.4459 6.4459 7.1908 7.1908 8.6133 8.6133 10.3136 10.3136 11.0395 11.0395 12.2247 12.2247 k = 0.6230 0.1755-0.6895 ( 4112 PWs) bands (ev): -16.5836 -16.5836 -16.5764 -16.5764 -13.6267 -13.6267 -13.6092 -13.6092 -13.5899 -13.5899 -5.4163 -5.4163 -4.5400 -4.5400 -4.2501 -4.2501 -4.1899 -4.1899 -2.3183 -2.3183 -2.0765 -2.0765 -2.0375 -2.0375 -1.8742 -1.8742 2.1490 2.1490 3.6168 3.6168 4.2018 4.2018 4.8424 4.8424 5.8085 5.8085 6.4549 6.4549 7.2093 7.2093 8.6185 8.6185 10.3395 10.3395 11.0729 11.0729 12.1862 12.1862 k = 0.6192 0.1745-0.6652 ( 4121 PWs) bands (ev): -16.5835 -16.5835 -16.5766 -16.5766 -13.6263 -13.6263 -13.6092 -13.6092 -13.5903 -13.5903 -5.4692 -5.4692 -4.5394 -4.5394 -4.2506 -4.2506 -4.1928 -4.1928 -2.2856 -2.2856 -2.0753 -2.0753 -2.0382 -2.0382 -1.8494 -1.8494 2.1380 2.1380 3.6601 3.6601 4.2365 4.2365 4.8537 4.8537 5.8269 5.8269 6.4641 6.4641 7.2293 7.2293 8.6232 8.6232 10.3617 10.3617 11.1007 11.1007 12.1415 12.1415 k = 0.6153 0.1734-0.6410 ( 4119 PWs) bands (ev): -16.5834 -16.5834 -16.5767 -16.5767 -13.6259 -13.6259 -13.6093 -13.6093 -13.5907 -13.5907 -5.5219 -5.5219 -4.5412 -4.5412 -4.2511 -4.2511 -4.1956 -4.1956 -2.2559 -2.2559 -2.0742 -2.0742 -2.0389 -2.0389 -1.8188 -1.8188 2.1281 2.1281 3.7005 3.7005 4.2721 4.2721 4.8670 4.8670 5.8563 5.8563 6.4735 6.4735 7.2503 7.2503 8.6274 8.6274 10.3804 10.3804 11.1195 11.1195 12.0908 12.0908 k = 0.6115 0.1723-0.6168 ( 4115 PWs) bands (ev): -16.5834 -16.5834 -16.5769 -16.5769 -13.6254 -13.6254 -13.6093 -13.6093 -13.5912 -13.5912 -5.5742 -5.5742 -4.5453 -4.5453 -4.2517 -4.2517 -4.1983 -4.1983 -2.2302 -2.2302 -2.0732 -2.0732 -2.0396 -2.0396 -1.7822 -1.7822 2.1190 2.1190 3.7383 3.7383 4.3081 4.3081 4.8827 4.8827 5.8964 5.8964 6.4829 6.4829 7.2720 7.2720 8.6309 8.6309 10.3958 10.3958 11.1260 11.1260 12.0348 12.0348 k = 0.6076 0.1712-0.5926 ( 4118 PWs) bands (ev): -16.5833 -16.5833 -16.5770 -16.5770 -13.6249 -13.6249 -13.6093 -13.6093 -13.5917 -13.5917 -5.6260 -5.6260 -4.5514 -4.5514 -4.2523 -4.2523 -4.2009 -4.2009 -2.2085 -2.2085 -2.0723 -2.0723 -2.0403 -2.0403 -1.7397 -1.7397 2.1105 2.1105 3.7739 3.7739 4.3443 4.3443 4.9014 4.9014 5.9465 5.9465 6.4923 6.4923 7.2940 7.2940 8.6337 8.6337 10.4079 10.4079 11.1174 11.1174 11.9758 11.9758 k = 0.6038 0.1701-0.5683 ( 4118 PWs) bands (ev): -16.5832 -16.5832 -16.5772 -16.5772 -13.6245 -13.6245 -13.6094 -13.6094 -13.5922 -13.5922 -5.6769 -5.6769 -4.5592 -4.5592 -4.2529 -4.2529 -4.2034 -4.2034 -2.1906 -2.1906 -2.0715 -2.0715 -2.0411 -2.0411 -1.6922 -1.6922 2.1026 2.1026 3.8078 3.8078 4.3806 4.3806 4.9237 4.9237 6.0059 6.0059 6.5016 6.5016 7.3159 7.3159 8.6356 8.6356 10.4167 10.4167 11.0917 11.0917 11.9162 11.9162 k = 0.5999 0.1690-0.5441 ( 4118 PWs) bands (ev): -16.5831 -16.5831 -16.5773 -16.5773 -13.6240 -13.6240 -13.6094 -13.6094 -13.5927 -13.5927 -5.7269 -5.7269 -4.5687 -4.5687 -4.2536 -4.2536 -4.2057 -4.2057 -2.1760 -2.1760 -2.0707 -2.0707 -2.0420 -2.0420 -1.6404 -1.6404 2.0950 2.0950 3.8404 3.8404 4.4171 4.4171 4.9498 4.9498 6.0732 6.0732 6.5109 6.5109 7.3372 7.3372 8.6366 8.6366 10.4217 10.4217 11.0486 11.0486 11.8589 11.8589 k = 0.5961 0.1680-0.5199 ( 4123 PWs) bands (ev): -16.5830 -16.5830 -16.5775 -16.5775 -13.6235 -13.6235 -13.6094 -13.6094 -13.5932 -13.5932 -5.7758 -5.7758 -4.5794 -4.5794 -4.2543 -4.2543 -4.2079 -4.2079 -2.1641 -2.1641 -2.0701 -2.0701 -2.0429 -2.0429 -1.5856 -1.5856 2.0877 2.0877 3.8721 3.8721 4.4543 4.4543 4.9801 4.9801 6.1472 6.1472 6.5202 6.5202 7.3575 7.3575 8.6364 8.6364 10.4224 10.4224 10.9892 10.9892 11.8058 11.8058 k = 0.5923 0.1669-0.4957 ( 4127 PWs) bands (ev): -16.5829 -16.5829 -16.5777 -16.5777 -13.6230 -13.6230 -13.6094 -13.6094 -13.5937 -13.5937 -5.8235 -5.8235 -4.5914 -4.5914 -4.2550 -4.2550 -4.2099 -4.2099 -2.1545 -2.1545 -2.0695 -2.0695 -2.0439 -2.0439 -1.5286 -1.5286 2.0805 2.0805 3.9034 3.9034 4.4925 4.4925 5.0146 5.0146 6.2260 6.2260 6.5300 6.5300 7.3763 7.3763 8.6350 8.6350 10.4177 10.4177 10.9168 10.9168 11.7584 11.7584 k = 0.5884 0.1658-0.4715 ( 4135 PWs) bands (ev): -16.5828 -16.5828 -16.5778 -16.5778 -13.6226 -13.6226 -13.6094 -13.6094 -13.5942 -13.5942 -5.8699 -5.8699 -4.6043 -4.6043 -4.2558 -4.2558 -4.2117 -4.2117 -2.1465 -2.1465 -2.0690 -2.0690 -2.0450 -2.0450 -1.4704 -1.4704 2.0733 2.0733 3.9350 3.9350 4.5322 4.5322 5.0530 5.0530 6.3071 6.3071 6.5416 6.5416 7.3931 7.3931 8.6324 8.6324 10.4059 10.4059 10.8356 10.8356 11.7171 11.7171 k = 0.5846 0.1647-0.4472 ( 4137 PWs) bands (ev): -16.5828 -16.5828 -16.5780 -16.5780 -13.6221 -13.6221 -13.6094 -13.6094 -13.5947 -13.5947 -5.9149 -5.9149 -4.6180 -4.6180 -4.2566 -4.2566 -4.2134 -4.2134 -2.1400 -2.1400 -2.0685 -2.0685 -2.0460 -2.0460 -1.4118 -1.4118 2.0660 2.0660 3.9673 3.9673 4.5738 4.5738 5.0952 5.0952 6.3853 6.3853 6.5585 6.5585 7.4075 7.4075 8.6286 8.6286 10.3839 10.3839 10.7518 10.7518 11.6823 11.6823 k = 0.5807 0.1636-0.4230 ( 4136 PWs) bands (ev): -16.5827 -16.5827 -16.5782 -16.5782 -13.6217 -13.6217 -13.6093 -13.6093 -13.5952 -13.5952 -5.9584 -5.9584 -4.6323 -4.6323 -4.2573 -4.2573 -4.2148 -4.2148 -2.1345 -2.1345 -2.0680 -2.0680 -2.0471 -2.0471 -1.3534 -1.3534 2.0585 2.0585 4.0010 4.0010 4.6176 4.6176 5.1409 5.1409 6.4495 6.4495 6.5903 6.5903 7.4191 7.4191 8.6237 8.6237 10.3476 10.3476 10.6726 10.6726 11.6541 11.6541 k = 0.5769 0.1626-0.3988 ( 4135 PWs) bands (ev): -16.5826 -16.5826 -16.5784 -16.5784 -13.6213 -13.6213 -13.6092 -13.6092 -13.5957 -13.5957 -6.0003 -6.0003 -4.6470 -4.6470 -4.2581 -4.2581 -4.2161 -4.2161 -2.1299 -2.1299 -2.0674 -2.0674 -2.0482 -2.0482 -1.2958 -1.2958 2.0507 2.0507 4.0367 4.0367 4.6639 4.6639 5.1897 5.1897 6.4867 6.4867 6.6484 6.6484 7.4277 7.4277 8.6178 8.6178 10.2923 10.2923 10.6052 10.6052 11.6324 11.6324 k = 0.5730 0.1615-0.3746 ( 4137 PWs) bands (ev): -16.5825 -16.5825 -16.5785 -16.5785 -13.6210 -13.6210 -13.6092 -13.6092 -13.5962 -13.5962 -6.0405 -6.0405 -4.6619 -4.6619 -4.2588 -4.2588 -4.2173 -4.2173 -2.1260 -2.1260 -2.0668 -2.0668 -2.0493 -2.0493 -1.2395 -1.2395 2.0426 2.0426 4.0750 4.0750 4.7127 4.7127 5.2414 5.2414 6.5026 6.5026 6.7249 6.7249 7.4332 7.4332 8.6109 8.6109 10.2181 10.2181 10.5524 10.5524 11.6172 11.6172 k = 0.5692 0.1604-0.3503 ( 4145 PWs) bands (ev): -16.5824 -16.5824 -16.5787 -16.5787 -13.6207 -13.6207 -13.6090 -13.6090 -13.5967 -13.5967 -6.0790 -6.0790 -4.6770 -4.6770 -4.2596 -4.2596 -4.2183 -4.2183 -2.1228 -2.1228 -2.0662 -2.0662 -2.0503 -2.0503 -1.1849 -1.1849 2.0342 2.0342 4.1163 4.1163 4.7640 4.7640 5.2956 5.2956 6.5084 6.5084 6.8061 6.8061 7.4363 7.4363 8.6032 8.6032 10.1304 10.1304 10.5114 10.5114 11.6080 11.6080 k = 0.5653 0.1593-0.3261 ( 4148 PWs) bands (ev): -16.5823 -16.5823 -16.5789 -16.5789 -13.6204 -13.6204 -13.6089 -13.6089 -13.5971 -13.5971 -6.1157 -6.1157 -4.6921 -4.6921 -4.2603 -4.2603 -4.2192 -4.2192 -2.1200 -2.1200 -2.0654 -2.0654 -2.0513 -2.0513 -1.1323 -1.1323 2.0255 2.0255 4.1611 4.1611 4.8177 4.8177 5.3521 5.3521 6.5090 6.5090 6.8836 6.8836 7.4385 7.4385 8.5945 8.5945 10.0367 10.0367 10.4774 10.4774 11.6044 11.6044 k = 0.5615 0.1582-0.3019 ( 4140 PWs) bands (ev): -16.5823 -16.5823 -16.5790 -16.5790 -13.6202 -13.6202 -13.6087 -13.6087 -13.5975 -13.5975 -6.1505 -6.1505 -4.7069 -4.7069 -4.2610 -4.2610 -4.2200 -4.2200 -2.1178 -2.1178 -2.0646 -2.0646 -2.0522 -2.0522 -1.0821 -1.0821 2.0164 2.0164 4.2097 4.2097 4.8737 4.8737 5.4107 5.4107 6.5061 6.5061 6.9511 6.9511 7.4423 7.4423 8.5845 8.5845 9.9434 9.9434 10.4471 10.4471 11.6054 11.6054 k = 0.5577 0.1571-0.2777 ( 4140 PWs) bands (ev): -16.5822 -16.5822 -16.5792 -16.5792 -13.6200 -13.6200 -13.6086 -13.6086 -13.5980 -13.5980 -6.1834 -6.1834 -4.7215 -4.7215 -4.2616 -4.2616 -4.2206 -4.2206 -2.1159 -2.1159 -2.0637 -2.0637 -2.0530 -2.0530 -1.0344 -1.0344 2.0072 2.0072 4.2621 4.2621 4.9318 4.9318 5.4709 5.4709 6.5004 6.5004 7.0019 7.0019 7.4519 7.4519 8.5730 8.5730 9.8554 9.8554 10.4189 10.4189 11.6096 11.6096 k = 0.5538 0.1561-0.2535 ( 4134 PWs) bands (ev): -16.5821 -16.5821 -16.5793 -16.5793 -13.6198 -13.6198 -13.6084 -13.6084 -13.5983 -13.5983 -6.2144 -6.2144 -4.7356 -4.7356 -4.2623 -4.2623 -4.2212 -4.2212 -2.1144 -2.1144 -2.0627 -2.0627 -2.0537 -2.0537 -0.9895 -0.9895 1.9978 1.9978 4.3185 4.3185 4.9920 4.9920 5.5326 5.5326 6.4921 6.4921 7.0299 7.0299 7.4712 7.4712 8.5593 8.5593 9.7767 9.7767 10.3923 10.3923 11.6153 11.6153 k = 0.5500 0.1550-0.2292 ( 4121 PWs) bands (ev): -16.5820 -16.5820 -16.5795 -16.5795 -13.6197 -13.6197 -13.6081 -13.6081 -13.5987 -13.5987 -6.2434 -6.2434 -4.7492 -4.7492 -4.2628 -4.2628 -4.2217 -4.2217 -2.1133 -2.1133 -2.0618 -2.0618 -2.0542 -2.0542 -0.9475 -0.9475 1.9883 1.9883 4.3787 4.3787 5.0539 5.0539 5.5953 5.5953 6.4814 6.4814 7.0327 7.0327 7.5006 7.5006 8.5428 8.5428 9.7108 9.7108 10.3674 10.3674 11.6203 11.6203 k = 0.5461 0.1539-0.2050 ( 4119 PWs) bands (ev): -16.5820 -16.5820 -16.5796 -16.5796 -13.6196 -13.6196 -13.6079 -13.6079 -13.5990 -13.5990 -6.2703 -6.2703 -4.7622 -4.7622 -4.2634 -4.2634 -4.2221 -4.2221 -2.1124 -2.1124 -2.0609 -2.0609 -2.0546 -2.0546 -0.9085 -0.9085 1.9789 1.9789 4.4424 4.4424 5.1175 5.1175 5.6587 5.6587 6.4685 6.4685 7.0127 7.0127 7.5359 7.5359 8.5232 8.5232 9.6603 9.6603 10.3447 10.3447 11.6219 11.6219 k = 0.5423 0.1528-0.1808 ( 4127 PWs) bands (ev): -16.5819 -16.5819 -16.5797 -16.5797 -13.6196 -13.6196 -13.6077 -13.6077 -13.5994 -13.5994 -6.2952 -6.2952 -4.7745 -4.7745 -4.2639 -4.2639 -4.2224 -4.2224 -2.1118 -2.1118 -2.0603 -2.0603 -2.0546 -2.0546 -0.8726 -0.8726 1.9696 1.9696 4.5091 4.5091 5.1826 5.1826 5.7222 5.7222 6.4536 6.4536 6.9744 6.9744 7.5706 7.5706 8.5011 8.5011 9.6269 9.6269 10.3250 10.3250 11.6171 11.6171 k = 0.5384 0.1517-0.1566 ( 4135 PWs) bands (ev): -16.5819 -16.5819 -16.5798 -16.5798 -13.6195 -13.6195 -13.6075 -13.6075 -13.5996 -13.5996 -6.3181 -6.3181 -4.7860 -4.7860 -4.2644 -4.2644 -4.2227 -4.2227 -2.1113 -2.1113 -2.0599 -2.0599 -2.0543 -2.0543 -0.8399 -0.8399 1.9606 1.9606 4.5782 4.5782 5.2491 5.2491 5.7854 5.7854 6.4371 6.4371 6.9224 6.9224 7.5988 7.5988 8.4779 8.4779 9.6110 9.6110 10.3092 10.3092 11.6030 11.6030 k = 0.5346 0.1506-0.1323 ( 4135 PWs) bands (ev): -16.5818 -16.5818 -16.5799 -16.5799 -13.6195 -13.6195 -13.6072 -13.6072 -13.5999 -13.5999 -6.3388 -6.3388 -4.7966 -4.7966 -4.2649 -4.2649 -4.2230 -4.2230 -2.1110 -2.1110 -2.0597 -2.0597 -2.0538 -2.0538 -0.8103 -0.8103 1.9520 1.9520 4.6489 4.6489 5.3169 5.3169 5.8472 5.8472 6.4195 6.4195 6.8601 6.8601 7.6162 7.6162 8.4556 8.4556 9.6111 9.6111 10.2987 10.2987 11.5769 11.5769 k = 0.5308 0.1496-0.1081 ( 4128 PWs) bands (ev): -16.5818 -16.5818 -16.5800 -16.5800 -13.6195 -13.6195 -13.6070 -13.6070 -13.6001 -13.6001 -6.3574 -6.3574 -4.8062 -4.8062 -4.2652 -4.2652 -4.2232 -4.2232 -2.1109 -2.1109 -2.0598 -2.0598 -2.0530 -2.0530 -0.7839 -0.7839 1.9439 1.9439 4.7201 4.7201 5.3859 5.3859 5.9066 5.9066 6.4014 6.4014 6.7900 6.7900 7.6206 7.6206 8.4364 8.4364 9.6247 9.6247 10.2948 10.2948 11.5374 11.5374 k = 0.5269 0.1485-0.0839 ( 4127 PWs) bands (ev): -16.5818 -16.5818 -16.5801 -16.5801 -13.6195 -13.6195 -13.6068 -13.6068 -13.6003 -13.6003 -6.3738 -6.3738 -4.8149 -4.8149 -4.2656 -4.2656 -4.2234 -4.2234 -2.1108 -2.1108 -2.0599 -2.0599 -2.0521 -2.0521 -0.7607 -0.7607 1.9365 1.9365 4.7904 4.7904 5.4561 5.4561 5.9619 5.9619 6.3842 6.3842 6.7144 6.7144 7.6117 7.6117 8.4221 8.4221 9.6478 9.6478 10.2994 10.2994 11.4842 11.4842 k = 0.5231 0.1474-0.0597 ( 4123 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6067 -13.6067 -13.6005 -13.6005 -6.3881 -6.3881 -4.8225 -4.8225 -4.2659 -4.2659 -4.2235 -4.2235 -2.1108 -2.1108 -2.0600 -2.0600 -2.0513 -2.0513 -0.7407 -0.7407 1.9298 1.9298 4.8582 4.8582 5.5277 5.5277 6.0106 6.0106 6.3692 6.3692 6.6352 6.6352 7.5913 7.5913 8.4129 8.4129 9.6761 9.6761 10.3139 10.3139 11.4187 11.4187 k = 0.5192 0.1463-0.0355 ( 4122 PWs) bands (ev): -16.5817 -16.5817 -16.5802 -16.5802 -13.6196 -13.6196 -13.6065 -13.6065 -13.6006 -13.6006 -6.4002 -6.4002 -4.8290 -4.8290 -4.2662 -4.2662 -4.2236 -4.2236 -2.1108 -2.1108 -2.0602 -2.0602 -2.0505 -2.0505 -0.7238 -0.7238 1.9240 1.9240 4.9216 4.9216 5.6005 5.6005 6.0492 6.0492 6.3588 6.3588 6.5549 6.5549 7.5630 7.5630 8.4082 8.4082 9.7052 9.7052 10.3397 10.3397 11.3440 11.3440 k = 0.5154 0.1452-0.0112 ( 4128 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6196 -13.6196 -13.6064 -13.6064 -13.6008 -13.6008 -6.4101 -6.4101 -4.8343 -4.8343 -4.2664 -4.2664 -4.2237 -4.2237 -2.1109 -2.1109 -2.0603 -2.0603 -2.0498 -2.0498 -0.7100 -0.7100 1.9191 1.9191 4.9784 4.9784 5.6747 5.6747 6.0735 6.0735 6.3548 6.3548 6.4767 6.4767 7.5310 7.5310 8.4066 8.4066 9.7314 9.7314 10.3765 10.3765 11.2638 11.2638 k = 0.5115 0.1441 0.0130 ( 4127 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6196 -13.6196 -13.6063 -13.6063 -13.6008 -13.6008 -6.4179 -6.4179 -4.8385 -4.8385 -4.2666 -4.2666 -4.2237 -4.2237 -2.1109 -2.1109 -2.0604 -2.0604 -2.0492 -2.0492 -0.6993 -0.6993 1.9153 1.9153 5.0261 5.0261 5.7498 5.7498 6.0793 6.0793 6.3564 6.3564 6.4065 6.4065 7.4998 7.4998 8.4070 8.4070 9.7524 9.7524 10.4217 10.4217 11.1837 11.1837 k = 0.5077 0.1431 0.0372 ( 4125 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6062 -13.6062 -13.6009 -13.6009 -6.4234 -6.4234 -4.8416 -4.8416 -4.2667 -4.2667 -4.2238 -4.2238 -2.1110 -2.1110 -2.0605 -2.0605 -2.0488 -2.0488 -0.6917 -0.6917 1.9125 1.9125 5.0624 5.0624 5.8252 5.8252 6.0635 6.0635 6.3393 6.3393 6.3728 6.3728 7.4738 7.4738 8.4080 8.4080 9.7673 9.7673 10.4691 10.4691 11.1112 11.1112 k = 0.5038 0.1420 0.0614 ( 4120 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4267 -6.4267 -4.8434 -4.8434 -4.2668 -4.2668 -4.2238 -4.2238 -2.1110 -2.1110 -2.0606 -2.0606 -2.0486 -2.0486 -0.6871 -0.6871 1.9108 1.9108 5.0851 5.0851 5.8991 5.8991 6.0252 6.0252 6.3048 6.3048 6.3771 6.3771 7.4565 7.4565 8.4089 8.4089 9.7760 9.7760 10.5076 10.5076 11.0577 11.0577 k = 0.5000 0.1409 0.0856 ( 4122 PWs) bands (ev): -16.5817 -16.5817 -16.5803 -16.5803 -13.6197 -13.6197 -13.6061 -13.6061 -13.6010 -13.6010 -6.4278 -6.4278 -4.8440 -4.8440 -4.2668 -4.2668 -4.2238 -4.2238 -2.1110 -2.1110 -2.0606 -2.0606 -2.0485 -2.0485 -0.6856 -0.6856 1.9102 1.9102 5.0928 5.0928 5.9644 5.9644 5.9713 5.9713 6.2926 6.2926 6.3797 6.3797 7.4505 7.4505 8.4093 8.4093 9.7788 9.7788 10.5230 10.5230 11.0373 11.0373 k = 0.5000-0.8168-0.4966 ( 4104 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9350 -4.9350 -4.7343 -4.7343 -4.2463 -4.2463 -4.1391 -4.1391 -2.5153 -2.5153 -2.0961 -2.0961 -2.0378 -2.0378 -2.0066 -2.0066 2.1512 2.1512 3.3734 3.3734 4.1851 4.1851 5.2637 5.2637 5.6553 5.6553 5.8352 5.8352 6.1821 6.1821 10.0201 10.0201 10.4947 10.4947 11.5311 11.5311 12.0662 12.0662 k = 0.5210-0.8074-0.4908 ( 4106 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9354 -4.9354 -4.7338 -4.7338 -4.2463 -4.2463 -4.1392 -4.1392 -2.5158 -2.5158 -2.0959 -2.0959 -2.0377 -2.0377 -2.0062 -2.0062 2.1522 2.1522 3.3714 3.3714 4.1839 4.1839 5.2672 5.2672 5.6284 5.6284 5.8625 5.8625 6.1861 6.1861 9.9970 9.9970 10.5098 10.5098 11.5173 11.5173 12.0754 12.0754 k = 0.5420-0.7980-0.4851 ( 4102 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9364 -4.9364 -4.7324 -4.7324 -4.2463 -4.2463 -4.1397 -4.1397 -2.5172 -2.5172 -2.0955 -2.0955 -2.0376 -2.0376 -2.0052 -2.0052 2.1550 2.1550 3.3657 3.3657 4.1803 4.1803 5.2771 5.2771 5.5729 5.5729 5.9192 5.9192 6.1987 6.1987 9.9360 9.9360 10.5460 10.5460 11.4805 11.4805 12.0972 12.0972 k = 0.5630-0.7886-0.4794 ( 4109 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9380 -4.9380 -4.7303 -4.7303 -4.2464 -4.2464 -4.1404 -4.1404 -2.5196 -2.5196 -2.0948 -2.0948 -2.0373 -2.0373 -2.0034 -2.0034 2.1598 2.1598 3.3564 3.3564 4.1745 4.1745 5.2911 5.2911 5.5130 5.5130 5.9812 5.9812 6.2216 6.2216 9.8516 9.8516 10.5870 10.5870 11.4310 11.4310 12.1195 12.1195 k = 0.5841-0.7792-0.4737 ( 4111 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9403 -4.9403 -4.7274 -4.7274 -4.2464 -4.2464 -4.1414 -4.1414 -2.5228 -2.5228 -2.0940 -2.0940 -2.0369 -2.0369 -2.0010 -2.0010 2.1663 2.1663 3.3437 3.3437 4.1666 4.1666 5.3017 5.3017 5.4624 5.4624 6.0390 6.0390 6.2577 6.2577 9.7537 9.7537 10.6195 10.6195 11.3781 11.3781 12.1323 12.1323 k = 0.6051-0.7698-0.4680 ( 4108 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9429 -4.9429 -4.7239 -4.7239 -4.2464 -4.2464 -4.1426 -4.1426 -2.5267 -2.5267 -2.0930 -2.0930 -2.0365 -2.0365 -1.9979 -1.9979 2.1745 2.1745 3.3281 3.3281 4.1568 4.1568 5.2906 5.2906 5.4414 5.4414 6.0881 6.0881 6.3088 6.3088 9.6482 9.6482 10.6345 10.6345 11.3286 11.3286 12.1332 12.1332 k = 0.6261-0.7604-0.4623 ( 4108 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9459 -4.9459 -4.7201 -4.7201 -4.2465 -4.2465 -4.1440 -4.1440 -2.5312 -2.5312 -2.0919 -2.0919 -2.0360 -2.0360 -1.9943 -1.9943 2.1843 2.1843 3.3099 3.3099 4.1454 4.1454 5.2493 5.2493 5.4587 5.4587 6.1285 6.1285 6.3737 6.3737 9.5381 9.5381 10.6269 10.6269 11.2852 11.2852 12.1273 12.1273 k = 0.6471-0.7510-0.4566 ( 4116 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9491 -4.9491 -4.7160 -4.7160 -4.2466 -4.2466 -4.1454 -4.1454 -2.5360 -2.5360 -2.0908 -2.0908 -2.0355 -2.0355 -1.9902 -1.9902 2.1956 2.1956 3.2895 3.2895 4.1326 4.1326 5.1946 5.1946 5.4977 5.4977 6.1630 6.1630 6.4486 6.4486 9.4254 9.4254 10.5964 10.5964 11.2465 11.2465 12.1226 12.1226 k = 0.6681-0.7416-0.4509 ( 4123 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6293 -13.6293 -13.6089 -13.6089 -13.5874 -13.5874 -4.9525 -4.9525 -4.7120 -4.7120 -4.2466 -4.2466 -4.1469 -4.1469 -2.5410 -2.5410 -2.0898 -2.0898 -2.0349 -2.0349 -1.9857 -1.9857 2.2082 2.2082 3.2674 3.2674 4.1186 4.1186 5.1372 5.1372 5.5475 5.5475 6.1944 6.1944 6.5297 6.5297 9.3116 9.3116 10.5463 10.5463 11.2081 11.2081 12.1255 12.1255 k = 0.6891-0.7323-0.4452 ( 4125 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5874 -13.5874 -4.9558 -4.9558 -4.7081 -4.7081 -4.2467 -4.2467 -4.1483 -4.1483 -2.5460 -2.5460 -2.0888 -2.0888 -2.0344 -2.0344 -1.9809 -1.9809 2.2220 2.2220 3.2438 3.2438 4.1037 4.1037 5.0807 5.0807 5.6041 5.6041 6.2245 6.2245 6.6147 6.6147 9.1976 9.1976 10.4817 10.4817 11.1657 11.1657 12.1389 12.1389 k = 0.7101-0.7229-0.4395 ( 4129 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5874 -13.5874 -4.9592 -4.9592 -4.7045 -4.7045 -4.2468 -4.2468 -4.1496 -4.1496 -2.5509 -2.5509 -2.0879 -2.0879 -2.0338 -2.0338 -1.9760 -1.9760 2.2367 2.2367 3.2192 3.2192 4.0883 4.0883 5.0268 5.0268 5.6655 5.6655 6.2541 6.2541 6.7019 6.7019 9.0843 9.0843 10.4075 10.4075 11.1173 11.1173 12.1628 12.1628 k = 0.7312-0.7135-0.4337 ( 4124 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5874 -13.5874 -4.9624 -4.9624 -4.7014 -4.7014 -4.2469 -4.2469 -4.1507 -4.1507 -2.5555 -2.5555 -2.0870 -2.0870 -2.0331 -2.0331 -1.9710 -1.9710 2.2523 2.2523 3.1936 3.1936 4.0725 4.0725 4.9761 4.9761 5.7307 5.7307 6.2835 6.2835 6.7902 6.7902 8.9725 8.9725 10.3274 10.3274 11.0631 11.0631 12.1947 12.1947 k = 0.7522-0.7041-0.4280 ( 4123 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9655 -4.9655 -4.6989 -4.6989 -4.2470 -4.2470 -4.1515 -4.1515 -2.5596 -2.5596 -2.0863 -2.0863 -2.0325 -2.0325 -1.9661 -1.9661 2.2686 2.2686 3.1673 3.1673 4.0567 4.0567 4.9294 4.9294 5.7984 5.7984 6.3126 6.3126 6.8788 6.8788 8.8628 8.8628 10.2441 10.2441 11.0048 11.0048 12.2314 12.2314 k = 0.7732-0.6947-0.4223 ( 4118 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9684 -4.9684 -4.6971 -4.6971 -4.2471 -4.2471 -4.1519 -4.1519 -2.5632 -2.5632 -2.0856 -2.0856 -2.0319 -2.0319 -1.9614 -1.9614 2.2853 2.2853 3.1404 3.1404 4.0412 4.0412 4.8870 4.8870 5.8676 5.8676 6.3414 6.3414 6.9669 6.9669 8.7559 8.7559 10.1594 10.1594 10.9447 10.9447 12.2683 12.2683 k = 0.7942-0.6853-0.4166 ( 4116 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9711 -4.9711 -4.6963 -4.6963 -4.2472 -4.2472 -4.1518 -4.1518 -2.5662 -2.5662 -2.0851 -2.0851 -2.0314 -2.0314 -1.9570 -1.9570 2.3024 2.3024 3.1129 3.1129 4.0264 4.0264 4.8492 4.8492 5.9374 5.9374 6.3697 6.3697 7.0537 7.0537 8.6528 8.6528 10.0750 10.0750 10.8850 10.8850 12.2988 12.2988 k = 0.8152-0.6759-0.4109 ( 4115 PWs) bands (ev): -16.5840 -16.5840 -16.5757 -16.5757 -13.6292 -13.6292 -13.6089 -13.6089 -13.5875 -13.5875 -4.9736 -4.9736 -4.6963 -4.6963 -4.2473 -4.2473 -4.1513 -4.1513 -2.5683 -2.5683 -2.0846 -2.0846 -2.0308 -2.0308 -1.9530 -1.9530 2.3198 2.3198 3.0847 3.0847 4.0127 4.0127 4.8164 4.8164 6.0064 6.0064 6.3973 6.3973 7.1383 7.1383 8.5543 8.5543 9.9921 9.9921 10.8276 10.8276 12.3105 12.3105 Writing output data file TlBiSe2.save init_run : 1.10s CPU 1.31s WALL ( 1 calls) electrons : 160.75s CPU 162.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 160.74s CPU 162.39s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.10s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 289 calls) cegterg : 144.96s CPU 146.28s WALL ( 310 calls) Called by sum_band: Called by *egterg: h_psi : 117.87s CPU 118.87s WALL ( 5420 calls) s_psi : 3.29s CPU 3.26s WALL ( 5420 calls) g_psi : 0.18s CPU 0.15s WALL ( 4821 calls) cdiaghg : 27.68s CPU 28.16s WALL ( 5110 calls) cegterg:over : 3.54s CPU 3.66s WALL ( 4821 calls) cegterg:upda : 3.31s CPU 3.29s WALL ( 4821 calls) cegterg:last : 1.72s CPU 1.73s WALL ( 888 calls) cdiaghg:chol : 1.63s CPU 1.64s WALL ( 5110 calls) cdiaghg:inve : 1.06s CPU 0.99s WALL ( 5110 calls) cdiaghg:para : 1.49s CPU 1.63s WALL ( 10220 calls) Called by h_psi: h_psi:vloc : 112.24s CPU 113.21s WALL ( 5420 calls) h_psi:vnl : 5.49s CPU 5.52s WALL ( 5420 calls) add_vuspsi : 2.55s CPU 2.59s WALL ( 5420 calls) General routines calbec : 2.93s CPU 2.91s WALL ( 5420 calls) fft : 0.04s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.04s CPU 99.88s WALL ( 530856 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.17s WALL ( 578 calls) Parallel routines fft_scatter : 24.97s CPU 25.01s WALL ( 530879 calls) PWSCF : 2m55.72s CPU 3m13.48s WALL This run was terminated on: 14:38: 0 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=