Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:41 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: ./NaTlO2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 48 39 11 988 736 116 Max 49 40 12 990 752 120 Sum 1731 1423 413 35597 26797 4229 bravais-lattice index = 14 lattice parameter (alat) = 11.0297 a.u. unit-cell volume = 361.3806 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.029663 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.835187 celldm(5)= 0.835187 celldm(6)= 0.835187 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.835187 0.549966 0.000000 ) a(3) = ( 0.835187 0.250288 0.489713 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.518614 -0.929312 ) b(2) = ( 0.000000 1.818293 -0.929312 ) b(3) = ( 0.000000 0.000000 2.042011 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Tl 13.00 204.38330 Tl( 1.00) Na 9.00 22.98980 Na( 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= 365 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0090909 -0.0138056 -0.0084483), wk = 0.0027397 k( 3) = ( 0.0181818 -0.0276112 -0.0168966), wk = 0.0027397 k( 4) = ( 0.0272727 -0.0414168 -0.0253449), wk = 0.0027397 k( 5) = ( 0.0363636 -0.0552223 -0.0337932), wk = 0.0027397 k( 6) = ( 0.0454546 -0.0690279 -0.0422414), wk = 0.0027397 k( 7) = ( 0.0545455 -0.0828335 -0.0506897), wk = 0.0027397 k( 8) = ( 0.0636364 -0.0966391 -0.0591380), wk = 0.0027397 k( 9) = ( 0.0727273 -0.1104447 -0.0675863), wk = 0.0027397 k( 10) = ( 0.0818182 -0.1242502 -0.0760346), wk = 0.0027397 k( 11) = ( 0.0909091 -0.1380558 -0.0844829), wk = 0.0027397 k( 12) = ( 0.1000000 -0.1518614 -0.0929312), wk = 0.0027397 k( 13) = ( 0.1090909 -0.1656670 -0.1013795), wk = 0.0027397 k( 14) = ( 0.1181818 -0.1794726 -0.1098278), wk = 0.0027397 k( 15) = ( 0.1272727 -0.1932782 -0.1182760), wk = 0.0027397 k( 16) = ( 0.1363636 -0.2070838 -0.1267243), wk = 0.0027397 k( 17) = ( 0.1454545 -0.2208893 -0.1351726), wk = 0.0027397 k( 18) = ( 0.1545455 -0.2346949 -0.1436209), wk = 0.0027397 k( 19) = ( 0.1636364 -0.2485005 -0.1520692), wk = 0.0027397 k( 20) = ( 0.1727273 -0.2623061 -0.1605175), wk = 0.0027397 k( 21) = ( 0.1818182 -0.2761117 -0.1689658), wk = 0.0027397 k( 22) = ( 0.1909091 -0.2899173 -0.1774141), wk = 0.0027397 k( 23) = ( 0.2000000 -0.3037228 -0.1858624), wk = 0.0027397 k( 24) = ( 0.2090909 -0.3175284 -0.1943106), wk = 0.0027397 k( 25) = ( 0.2181818 -0.3313340 -0.2027589), wk = 0.0027397 k( 26) = ( 0.2272727 -0.3451396 -0.2112072), wk = 0.0027397 k( 27) = ( 0.2363636 -0.3589452 -0.2196555), wk = 0.0027397 k( 28) = ( 0.2454545 -0.3727508 -0.2281038), wk = 0.0027397 k( 29) = ( 0.2545455 -0.3865563 -0.2365521), wk = 0.0027397 k( 30) = ( 0.2636364 -0.4003619 -0.2450004), wk = 0.0027397 k( 31) = ( 0.2727273 -0.4141675 -0.2534487), wk = 0.0027397 k( 32) = ( 0.2818182 -0.4279731 -0.2618970), wk = 0.0027397 k( 33) = ( 0.2909091 -0.4417787 -0.2703452), wk = 0.0027397 k( 34) = ( 0.3000000 -0.4555843 -0.2787935), wk = 0.0027397 k( 35) = ( 0.3090909 -0.4693898 -0.2872418), wk = 0.0027397 k( 36) = ( 0.3181818 -0.4831954 -0.2956901), wk = 0.0027397 k( 37) = ( 0.3272727 -0.4970010 -0.3041384), wk = 0.0027397 k( 38) = ( 0.3363636 -0.5108066 -0.3125867), wk = 0.0027397 k( 39) = ( 0.3454546 -0.5246122 -0.3210350), wk = 0.0027397 k( 40) = ( 0.3545454 -0.5384177 -0.3294833), wk = 0.0027397 k( 41) = ( 0.3636364 -0.5522233 -0.3379316), wk = 0.0027397 k( 42) = ( 0.3727273 -0.5660289 -0.3463798), wk = 0.0027397 k( 43) = ( 0.3818182 -0.5798345 -0.3548281), wk = 0.0027397 k( 44) = ( 0.3909091 -0.5936401 -0.3632764), wk = 0.0027397 k( 45) = ( 0.4000000 -0.6074457 -0.3717247), wk = 0.0027397 k( 46) = ( 0.4090909 -0.6212513 -0.3801730), wk = 0.0027397 k( 47) = ( 0.4181818 -0.6350568 -0.3886213), wk = 0.0027397 k( 48) = ( 0.4272727 -0.6488624 -0.3970696), wk = 0.0027397 k( 49) = ( 0.4363636 -0.6626680 -0.4055179), wk = 0.0027397 k( 50) = ( 0.4454546 -0.6764736 -0.4139662), wk = 0.0027397 k( 51) = ( 0.4545455 -0.6902792 -0.4224144), wk = 0.0027397 k( 52) = ( 0.4636364 -0.7040848 -0.4308627), wk = 0.0027397 k( 53) = ( 0.4727273 -0.7178903 -0.4393110), wk = 0.0027397 k( 54) = ( 0.4818182 -0.7316959 -0.4477593), wk = 0.0027397 k( 55) = ( 0.4909091 -0.7455015 -0.4562076), wk = 0.0027397 k( 56) = ( 0.5000000 -0.7593071 -0.4646559), wk = 0.0027397 k( 57) = ( 0.5000000 -0.7593071 -0.4646559), wk = 0.0027397 k( 58) = ( 0.5000000 -0.7498500 -0.4801100), wk = 0.0027397 k( 59) = ( 0.5000000 -0.7403928 -0.4955642), wk = 0.0027397 k( 60) = ( 0.5000000 -0.7309357 -0.5110184), wk = 0.0027397 k( 61) = ( 0.5000000 -0.7214786 -0.5264725), wk = 0.0027397 k( 62) = ( 0.5000000 -0.7120214 -0.5419267), wk = 0.0027397 k( 63) = ( 0.5000000 -0.7025643 -0.5573808), wk = 0.0027397 k( 64) = ( 0.5000000 -0.6931072 -0.5728350), wk = 0.0027397 k( 65) = ( 0.5000000 -0.6836501 -0.5882892), wk = 0.0027397 k( 66) = ( 0.5000000 -0.6741929 -0.6037433), wk = 0.0027397 k( 67) = ( 0.5000000 -0.6647358 -0.6191975), wk = 0.0027397 k( 68) = ( 0.5000000 -0.6552787 -0.6346516), wk = 0.0027397 k( 69) = ( 0.5000000 -0.6458215 -0.6501058), wk = 0.0027397 k( 70) = ( 0.5000000 -0.6363644 -0.6655599), wk = 0.0027397 k( 71) = ( 0.5000000 -0.6269073 -0.6810141), wk = 0.0027397 k( 72) = ( 0.5000000 -0.6174502 -0.6964683), wk = 0.0027397 k( 73) = ( 0.5000000 -0.6079930 -0.7119224), wk = 0.0027397 k( 74) = ( 0.5000000 -0.5985359 -0.7273766), wk = 0.0027397 k( 75) = ( 0.5000000 -0.5890788 -0.7428307), wk = 0.0027397 k( 76) = ( 0.5000000 -0.5796216 -0.7582849), wk = 0.0027397 k( 77) = ( 0.5000000 -0.5701645 -0.7737390), wk = 0.0027397 k( 78) = ( 0.5000000 -0.5607074 -0.7891932), wk = 0.0027397 k( 79) = ( 0.5000000 -0.5512503 -0.8046473), wk = 0.0027397 k( 80) = ( 0.5000000 -0.5417931 -0.8201015), wk = 0.0027397 k( 81) = ( 0.5000000 -0.5323360 -0.8355557), wk = 0.0027397 k( 82) = ( 0.5000000 -0.5228789 -0.8510098), wk = 0.0027397 k( 83) = ( 0.5000000 -0.5134217 -0.8664640), wk = 0.0027397 k( 84) = ( 0.5000000 -0.5039646 -0.8819181), wk = 0.0027397 k( 85) = ( 0.5000000 -0.4945075 -0.8973723), wk = 0.0027397 k( 86) = ( 0.5000000 -0.4850503 -0.9128265), wk = 0.0027397 k( 87) = ( 0.5000000 -0.4755932 -0.9282806), wk = 0.0027397 k( 88) = ( 0.5000000 -0.4661361 -0.9437348), wk = 0.0027397 k( 89) = ( 0.5000000 -0.4566789 -0.9591889), wk = 0.0027397 k( 90) = ( 0.5000000 -0.4472218 -0.9746431), wk = 0.0027397 k( 91) = ( 0.5000000 -0.4377647 -0.9900972), wk = 0.0027397 k( 92) = ( 0.5000000 -0.4283076 -1.0055514), wk = 0.0027397 k( 93) = ( 0.5000000 -0.4188504 -1.0210056), wk = 0.0027397 k( 94) = ( 0.8127603 -0.3251228 -0.8376180), wk = 0.0027397 k( 95) = ( 0.8074593 -0.3170726 -0.8218670), wk = 0.0027397 k( 96) = ( 0.8021582 -0.3090224 -0.8061159), wk = 0.0027397 k( 97) = ( 0.7968572 -0.3009722 -0.7903648), wk = 0.0027397 k( 98) = ( 0.7915562 -0.2929220 -0.7746138), wk = 0.0027397 k( 99) = ( 0.7862552 -0.2848718 -0.7588628), wk = 0.0027397 k( 100) = ( 0.7809542 -0.2768216 -0.7431117), wk = 0.0027397 k( 101) = ( 0.7756531 -0.2687714 -0.7273607), wk = 0.0027397 k( 102) = ( 0.7703521 -0.2607212 -0.7116096), wk = 0.0027397 k( 103) = ( 0.7650511 -0.2526710 -0.6958586), wk = 0.0027397 k( 104) = ( 0.7597501 -0.2446208 -0.6801075), wk = 0.0027397 k( 105) = ( 0.7544490 -0.2365706 -0.6643565), wk = 0.0027397 k( 106) = ( 0.7491480 -0.2285204 -0.6486054), wk = 0.0027397 k( 107) = ( 0.7438470 -0.2204702 -0.6328544), wk = 0.0027397 k( 108) = ( 0.7385460 -0.2124200 -0.6171034), wk = 0.0027397 k( 109) = ( 0.7332450 -0.2043697 -0.6013523), wk = 0.0027397 k( 110) = ( 0.7279439 -0.1963195 -0.5856012), wk = 0.0027397 k( 111) = ( 0.7226429 -0.1882693 -0.5698502), wk = 0.0027397 k( 112) = ( 0.7173419 -0.1802191 -0.5540992), wk = 0.0027397 k( 113) = ( 0.7120409 -0.1721689 -0.5383481), wk = 0.0027397 k( 114) = ( 0.7067398 -0.1641187 -0.5225971), wk = 0.0027397 k( 115) = ( 0.7014388 -0.1560685 -0.5068460), wk = 0.0027397 k( 116) = ( 0.6961378 -0.1480183 -0.4910950), wk = 0.0027397 k( 117) = ( 0.6908368 -0.1399681 -0.4753439), wk = 0.0027397 k( 118) = ( 0.6855358 -0.1319179 -0.4595929), wk = 0.0027397 k( 119) = ( 0.6802347 -0.1238677 -0.4438418), wk = 0.0027397 k( 120) = ( 0.6749337 -0.1158175 -0.4280908), wk = 0.0027397 k( 121) = ( 0.6696327 -0.1077673 -0.4123397), wk = 0.0027397 k( 122) = ( 0.6643317 -0.0997171 -0.3965887), wk = 0.0027397 k( 123) = ( 0.6590307 -0.0916668 -0.3808376), wk = 0.0027397 k( 124) = ( 0.6537296 -0.0836166 -0.3650866), wk = 0.0027397 k( 125) = ( 0.6484286 -0.0755664 -0.3493355), wk = 0.0027397 k( 126) = ( 0.6431276 -0.0675162 -0.3335845), wk = 0.0027397 k( 127) = ( 0.6378266 -0.0594660 -0.3178334), wk = 0.0027397 k( 128) = ( 0.6325255 -0.0514158 -0.3020824), wk = 0.0027397 k( 129) = ( 0.6272245 -0.0433656 -0.2863313), wk = 0.0027397 k( 130) = ( 0.6219235 -0.0353154 -0.2705803), wk = 0.0027397 k( 131) = ( 0.6166225 -0.0272652 -0.2548293), wk = 0.0027397 k( 132) = ( 0.6113215 -0.0192150 -0.2390782), wk = 0.0027397 k( 133) = ( 0.6060204 -0.0111648 -0.2233271), wk = 0.0027397 k( 134) = ( 0.6007194 -0.0031146 -0.2075761), wk = 0.0027397 k( 135) = ( 0.5954184 0.0049356 -0.1918251), wk = 0.0027397 k( 136) = ( 0.5901174 0.0129858 -0.1760740), wk = 0.0027397 k( 137) = ( 0.5848163 0.0210360 -0.1603230), wk = 0.0027397 k( 138) = ( 0.5795153 0.0290862 -0.1445719), wk = 0.0027397 k( 139) = ( 0.5742143 0.0371365 -0.1288209), wk = 0.0027397 k( 140) = ( 0.5689133 0.0451867 -0.1130698), wk = 0.0027397 k( 141) = ( 0.5636123 0.0532369 -0.0973188), wk = 0.0027397 k( 142) = ( 0.5583112 0.0612871 -0.0815677), wk = 0.0027397 k( 143) = ( 0.5530102 0.0693373 -0.0658167), wk = 0.0027397 k( 144) = ( 0.5477092 0.0773875 -0.0500657), wk = 0.0027397 k( 145) = ( 0.5424082 0.0854377 -0.0343146), wk = 0.0027397 k( 146) = ( 0.5371071 0.0934879 -0.0185635), wk = 0.0027397 k( 147) = ( 0.5318061 0.1015381 -0.0028125), wk = 0.0027397 k( 148) = ( 0.5265051 0.1095883 0.0129385), wk = 0.0027397 k( 149) = ( 0.5212041 0.1176385 0.0286896), wk = 0.0027397 k( 150) = ( 0.5159031 0.1256887 0.0444406), wk = 0.0027397 k( 151) = ( 0.5106020 0.1337389 0.0601917), wk = 0.0027397 k( 152) = ( 0.5053010 0.1417891 0.0759427), wk = 0.0027397 k( 153) = ( 0.5000000 0.1498394 0.0916938), wk = 0.0027397 k( 154) = ( 0.5000000 0.1498394 0.0916938), wk = 0.0027397 k( 155) = ( 0.4827586 0.1446725 0.0885319), wk = 0.0027397 k( 156) = ( 0.4655172 0.1395056 0.0853701), wk = 0.0027397 k( 157) = ( 0.4482759 0.1343387 0.0822082), wk = 0.0027397 k( 158) = ( 0.4310345 0.1291719 0.0790464), wk = 0.0027397 k( 159) = ( 0.4137931 0.1240050 0.0758845), wk = 0.0027397 k( 160) = ( 0.3965517 0.1188381 0.0727227), wk = 0.0027397 k( 161) = ( 0.3793103 0.1136712 0.0695608), wk = 0.0027397 k( 162) = ( 0.3620690 0.1085044 0.0663989), wk = 0.0027397 k( 163) = ( 0.3448276 0.1033375 0.0632371), wk = 0.0027397 k( 164) = ( 0.3275862 0.0981706 0.0600752), wk = 0.0027397 k( 165) = ( 0.3103448 0.0930037 0.0569134), wk = 0.0027397 k( 166) = ( 0.2931034 0.0878369 0.0537515), wk = 0.0027397 k( 167) = ( 0.2758621 0.0826700 0.0505897), wk = 0.0027397 k( 168) = ( 0.2586207 0.0775031 0.0474278), wk = 0.0027397 k( 169) = ( 0.2413793 0.0723362 0.0442660), wk = 0.0027397 k( 170) = ( 0.2241379 0.0671694 0.0411041), wk = 0.0027397 k( 171) = ( 0.2068966 0.0620025 0.0379423), wk = 0.0027397 k( 172) = ( 0.1896552 0.0568356 0.0347804), wk = 0.0027397 k( 173) = ( 0.1724138 0.0516687 0.0316185), wk = 0.0027397 k( 174) = ( 0.1551724 0.0465019 0.0284567), wk = 0.0027397 k( 175) = ( 0.1379310 0.0413350 0.0252948), wk = 0.0027397 k( 176) = ( 0.1206897 0.0361681 0.0221330), wk = 0.0027397 k( 177) = ( 0.1034483 0.0310012 0.0189711), wk = 0.0027397 k( 178) = ( 0.0862069 0.0258344 0.0158093), wk = 0.0027397 k( 179) = ( 0.0689655 0.0206675 0.0126474), wk = 0.0027397 k( 180) = ( 0.0517241 0.0155006 0.0094856), wk = 0.0027397 k( 181) = ( 0.0344828 0.0103337 0.0063237), wk = 0.0027397 k( 182) = ( 0.0172414 0.0051669 0.0031619), wk = 0.0027397 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 185) = ( 0.0052865 -0.0080281 -0.0157078), wk = 0.0027397 k( 186) = ( 0.0105729 -0.0160562 -0.0314156), wk = 0.0027397 k( 187) = ( 0.0158594 -0.0240843 -0.0471233), wk = 0.0027397 k( 188) = ( 0.0211458 -0.0321124 -0.0628311), wk = 0.0027397 k( 189) = ( 0.0264323 -0.0401405 -0.0785389), wk = 0.0027397 k( 190) = ( 0.0317188 -0.0481686 -0.0942467), wk = 0.0027397 k( 191) = ( 0.0370052 -0.0561967 -0.1099545), wk = 0.0027397 k( 192) = ( 0.0422917 -0.0642247 -0.1256622), wk = 0.0027397 k( 193) = ( 0.0475781 -0.0722528 -0.1413700), wk = 0.0027397 k( 194) = ( 0.0528646 -0.0802809 -0.1570778), wk = 0.0027397 k( 195) = ( 0.0581511 -0.0883090 -0.1727855), wk = 0.0027397 k( 196) = ( 0.0634375 -0.0963371 -0.1884933), wk = 0.0027397 k( 197) = ( 0.0687240 -0.1043652 -0.2042011), wk = 0.0027397 k( 198) = ( 0.0740104 -0.1123933 -0.2199089), wk = 0.0027397 k( 199) = ( 0.0792969 -0.1204214 -0.2356167), wk = 0.0027397 k( 200) = ( 0.0845834 -0.1284495 -0.2513244), wk = 0.0027397 k( 201) = ( 0.0898698 -0.1364776 -0.2670322), wk = 0.0027397 k( 202) = ( 0.0951563 -0.1445057 -0.2827400), wk = 0.0027397 k( 203) = ( 0.1004427 -0.1525338 -0.2984478), wk = 0.0027397 k( 204) = ( 0.1057292 -0.1605618 -0.3141556), wk = 0.0027397 k( 205) = ( 0.1110156 -0.1685899 -0.3298633), wk = 0.0027397 k( 206) = ( 0.1163021 -0.1766180 -0.3455711), wk = 0.0027397 k( 207) = ( 0.1215886 -0.1846461 -0.3612789), wk = 0.0027397 k( 208) = ( 0.1268750 -0.1926742 -0.3769867), wk = 0.0027397 k( 209) = ( 0.1321615 -0.2007023 -0.3926944), wk = 0.0027397 k( 210) = ( 0.1374479 -0.2087304 -0.4084022), wk = 0.0027397 k( 211) = ( 0.1427344 -0.2167585 -0.4241100), wk = 0.0027397 k( 212) = ( 0.1480209 -0.2247866 -0.4398178), wk = 0.0027397 k( 213) = ( 0.1533073 -0.2328147 -0.4555256), wk = 0.0027397 k( 214) = ( 0.1585938 -0.2408428 -0.4712333), wk = 0.0027397 k( 215) = ( 0.1638802 -0.2488709 -0.4869411), wk = 0.0027397 k( 216) = ( 0.1691667 -0.2568989 -0.5026489), wk = 0.0027397 k( 217) = ( 0.1744532 -0.2649270 -0.5183567), wk = 0.0027397 k( 218) = ( 0.1797396 -0.2729551 -0.5340644), wk = 0.0027397 k( 219) = ( 0.1850261 -0.2809832 -0.5497722), wk = 0.0027397 k( 220) = ( 0.1903125 -0.2890113 -0.5654800), wk = 0.0027397 k( 221) = ( 0.1955990 -0.2970394 -0.5811878), wk = 0.0027397 k( 222) = ( 0.2008855 -0.3050675 -0.5968956), wk = 0.0027397 k( 223) = ( 0.2061719 -0.3130956 -0.6126033), wk = 0.0027397 k( 224) = ( 0.2114584 -0.3211237 -0.6283111), wk = 0.0027397 k( 225) = ( 0.2167448 -0.3291518 -0.6440189), wk = 0.0027397 k( 226) = ( 0.2220313 -0.3371799 -0.6597267), wk = 0.0027397 k( 227) = ( 0.2273178 -0.3452080 -0.6754344), wk = 0.0027397 k( 228) = ( 0.2326042 -0.3532361 -0.6911422), wk = 0.0027397 k( 229) = ( 0.2378907 -0.3612641 -0.7068500), wk = 0.0027397 k( 230) = ( 0.2431771 -0.3692922 -0.7225578), wk = 0.0027397 k( 231) = ( 0.2484636 -0.3773203 -0.7382656), wk = 0.0027397 k( 232) = ( 0.2537501 -0.3853484 -0.7539733), wk = 0.0027397 k( 233) = ( 0.2590365 -0.3933765 -0.7696811), wk = 0.0027397 k( 234) = ( 0.2643230 -0.4014046 -0.7853889), wk = 0.0027397 k( 235) = ( 0.2696094 -0.4094327 -0.8010967), wk = 0.0027397 k( 236) = ( 0.2748959 -0.4174608 -0.8168045), wk = 0.0027397 k( 237) = ( 0.2801824 -0.4254889 -0.8325122), wk = 0.0027397 k( 238) = ( 0.2854688 -0.4335170 -0.8482200), wk = 0.0027397 k( 239) = ( 0.2907553 -0.4415451 -0.8639278), wk = 0.0027397 k( 240) = ( 0.2960417 -0.4495732 -0.8796356), wk = 0.0027397 k( 241) = ( 0.3013282 -0.4576013 -0.8953434), wk = 0.0027397 k( 242) = ( 0.3066146 -0.4656293 -0.9110511), wk = 0.0027397 k( 243) = ( 0.3119011 -0.4736574 -0.9267589), wk = 0.0027397 k( 244) = ( 0.3171876 -0.4816855 -0.9424667), wk = 0.0027397 k( 245) = ( 0.3224740 -0.4897136 -0.9581744), wk = 0.0027397 k( 246) = ( 0.3277605 -0.4977417 -0.9738822), wk = 0.0027397 k( 247) = ( 0.3330469 -0.5057698 -0.9895900), wk = 0.0027397 k( 248) = ( 0.3383334 -0.5137979 -1.0052978), wk = 0.0027397 k( 249) = ( 0.3436199 -0.5218260 -1.0210056), wk = 0.0027397 k( 250) = ( 0.6563801 -0.3719866 -0.9293118), wk = 0.0027397 k( 251) = ( 0.6511675 -0.3545924 -0.9293118), wk = 0.0027397 k( 252) = ( 0.6459548 -0.3371982 -0.9293118), wk = 0.0027397 k( 253) = ( 0.6407421 -0.3198041 -0.9293118), wk = 0.0027397 k( 254) = ( 0.6355295 -0.3024098 -0.9293118), wk = 0.0027397 k( 255) = ( 0.6303168 -0.2850156 -0.9293118), wk = 0.0027397 k( 256) = ( 0.6251041 -0.2676214 -0.9293118), wk = 0.0027397 k( 257) = ( 0.6198914 -0.2502272 -0.9293118), wk = 0.0027397 k( 258) = ( 0.6146788 -0.2328330 -0.9293118), wk = 0.0027397 k( 259) = ( 0.6094661 -0.2154388 -0.9293118), wk = 0.0027397 k( 260) = ( 0.6042534 -0.1980447 -0.9293118), wk = 0.0027397 k( 261) = ( 0.5990408 -0.1806505 -0.9293118), wk = 0.0027397 k( 262) = ( 0.5938281 -0.1632562 -0.9293118), wk = 0.0027397 k( 263) = ( 0.5886154 -0.1458620 -0.9293118), wk = 0.0027397 k( 264) = ( 0.5834027 -0.1284678 -0.9293118), wk = 0.0027397 k( 265) = ( 0.5781901 -0.1110736 -0.9293118), wk = 0.0027397 k( 266) = ( 0.5729774 -0.0936794 -0.9293118), wk = 0.0027397 k( 267) = ( 0.5677647 -0.0762853 -0.9293118), wk = 0.0027397 k( 268) = ( 0.5625521 -0.0588911 -0.9293118), wk = 0.0027397 k( 269) = ( 0.5573394 -0.0414968 -0.9293118), wk = 0.0027397 k( 270) = ( 0.5521267 -0.0241026 -0.9293118), wk = 0.0027397 k( 271) = ( 0.5469140 -0.0067084 -0.9293118), wk = 0.0027397 k( 272) = ( 0.5417014 0.0106858 -0.9293118), wk = 0.0027397 k( 273) = ( 0.5364887 0.0280800 -0.9293118), wk = 0.0027397 k( 274) = ( 0.5312760 0.0454741 -0.9293118), wk = 0.0027397 k( 275) = ( 0.5260634 0.0628683 -0.9293118), wk = 0.0027397 k( 276) = ( 0.5208507 0.0802625 -0.9293118), wk = 0.0027397 k( 277) = ( 0.5156380 0.0976568 -0.9293118), wk = 0.0027397 k( 278) = ( 0.5104253 0.1150510 -0.9293118), wk = 0.0027397 k( 279) = ( 0.5052127 0.1324452 -0.9293118), wk = 0.0027397 k( 280) = ( 0.5000000 0.1498394 -0.9293118), wk = 0.0027397 k( 281) = ( 0.5000000 0.1498394 -0.9293118), wk = 0.0027397 k( 282) = ( 0.5142164 0.1540997 -0.9209760), wk = 0.0027397 k( 283) = ( 0.5284328 0.1583600 -0.9126402), wk = 0.0027397 k( 284) = ( 0.5426491 0.1626204 -0.9043044), wk = 0.0027397 k( 285) = ( 0.5568655 0.1668807 -0.8959686), wk = 0.0027397 k( 286) = ( 0.5710819 0.1711411 -0.8876328), wk = 0.0027397 k( 287) = ( 0.5852983 0.1754014 -0.8792970), wk = 0.0027397 k( 288) = ( 0.5995146 0.1796618 -0.8709612), wk = 0.0027397 k( 289) = ( 0.6137310 0.1839221 -0.8626254), wk = 0.0027397 k( 290) = ( 0.6279474 0.1881825 -0.8542896), wk = 0.0027397 k( 291) = ( 0.6421638 0.1924428 -0.8459538), wk = 0.0027397 k( 292) = ( 0.6563801 0.1967032 -0.8376180), wk = 0.0027397 k( 293) = ( 0.6563801 0.1967032 -0.8376180), wk = 0.0027397 k( 294) = ( 0.6533139 0.1957843 -0.8193962), wk = 0.0027397 k( 295) = ( 0.6502476 0.1948654 -0.8011744), wk = 0.0027397 k( 296) = ( 0.6471813 0.1939465 -0.7829526), wk = 0.0027397 k( 297) = ( 0.6441150 0.1930276 -0.7647308), wk = 0.0027397 k( 298) = ( 0.6410487 0.1921087 -0.7465090), wk = 0.0027397 k( 299) = ( 0.6379825 0.1911898 -0.7282872), wk = 0.0027397 k( 300) = ( 0.6349162 0.1902709 -0.7100654), wk = 0.0027397 k( 301) = ( 0.6318499 0.1893520 -0.6918436), wk = 0.0027397 k( 302) = ( 0.6287836 0.1884331 -0.6736218), wk = 0.0027397 k( 303) = ( 0.6257174 0.1875142 -0.6554000), wk = 0.0027397 k( 304) = ( 0.6226511 0.1865953 -0.6371782), wk = 0.0027397 k( 305) = ( 0.6195848 0.1856764 -0.6189564), wk = 0.0027397 k( 306) = ( 0.6165185 0.1847575 -0.6007346), wk = 0.0027397 k( 307) = ( 0.6134523 0.1838386 -0.5825128), wk = 0.0027397 k( 308) = ( 0.6103860 0.1829197 -0.5642910), wk = 0.0027397 k( 309) = ( 0.6073197 0.1820008 -0.5460692), wk = 0.0027397 k( 310) = ( 0.6042534 0.1810819 -0.5278474), wk = 0.0027397 k( 311) = ( 0.6011872 0.1801630 -0.5096256), wk = 0.0027397 k( 312) = ( 0.5981209 0.1792441 -0.4914038), wk = 0.0027397 k( 313) = ( 0.5950546 0.1783252 -0.4731820), wk = 0.0027397 k( 314) = ( 0.5919883 0.1774063 -0.4549602), wk = 0.0027397 k( 315) = ( 0.5889220 0.1764874 -0.4367384), wk = 0.0027397 k( 316) = ( 0.5858558 0.1755685 -0.4185166), wk = 0.0027397 k( 317) = ( 0.5827895 0.1746496 -0.4002948), wk = 0.0027397 k( 318) = ( 0.5797232 0.1737307 -0.3820730), wk = 0.0027397 k( 319) = ( 0.5766569 0.1728118 -0.3638512), wk = 0.0027397 k( 320) = ( 0.5735906 0.1718929 -0.3456294), wk = 0.0027397 k( 321) = ( 0.5705244 0.1709740 -0.3274076), wk = 0.0027397 k( 322) = ( 0.5674581 0.1700551 -0.3091858), wk = 0.0027397 k( 323) = ( 0.5643918 0.1691362 -0.2909640), wk = 0.0027397 k( 324) = ( 0.5613255 0.1682173 -0.2727422), wk = 0.0027397 k( 325) = ( 0.5582593 0.1672984 -0.2545204), wk = 0.0027397 k( 326) = ( 0.5551930 0.1663795 -0.2362986), wk = 0.0027397 k( 327) = ( 0.5521267 0.1654606 -0.2180768), wk = 0.0027397 k( 328) = ( 0.5490604 0.1645417 -0.1998550), wk = 0.0027397 k( 329) = ( 0.5459942 0.1636228 -0.1816332), wk = 0.0027397 k( 330) = ( 0.5429279 0.1627039 -0.1634114), wk = 0.0027397 k( 331) = ( 0.5398616 0.1617850 -0.1451896), wk = 0.0027397 k( 332) = ( 0.5367953 0.1608661 -0.1269678), wk = 0.0027397 k( 333) = ( 0.5337291 0.1599472 -0.1087460), wk = 0.0027397 k( 334) = ( 0.5306628 0.1590283 -0.0905242), wk = 0.0027397 k( 335) = ( 0.5275965 0.1581094 -0.0723024), wk = 0.0027397 k( 336) = ( 0.5245302 0.1571905 -0.0540806), wk = 0.0027397 k( 337) = ( 0.5214639 0.1562716 -0.0358588), wk = 0.0027397 k( 338) = ( 0.5183977 0.1553527 -0.0176370), wk = 0.0027397 k( 339) = ( 0.5153314 0.1544338 0.0005848), wk = 0.0027397 k( 340) = ( 0.5122651 0.1535149 0.0188066), wk = 0.0027397 k( 341) = ( 0.5091988 0.1525960 0.0370284), wk = 0.0027397 k( 342) = ( 0.5061326 0.1516771 0.0552502), wk = 0.0027397 k( 343) = ( 0.5030663 0.1507583 0.0734720), wk = 0.0027397 k( 344) = ( 0.5000000 0.1498394 0.0916938), wk = 0.0027397 k( 345) = ( 0.5000000 -0.7593071 -0.4646559), wk = 0.0027397 k( 346) = ( 0.5156380 -0.7518151 -0.4600712), wk = 0.0027397 k( 347) = ( 0.5312760 -0.7443232 -0.4554865), wk = 0.0027397 k( 348) = ( 0.5469140 -0.7368312 -0.4509018), wk = 0.0027397 k( 349) = ( 0.5625521 -0.7293392 -0.4463171), wk = 0.0027397 k( 350) = ( 0.5781901 -0.7218472 -0.4417324), wk = 0.0027397 k( 351) = ( 0.5938281 -0.7143553 -0.4371477), wk = 0.0027397 k( 352) = ( 0.6094661 -0.7068633 -0.4325631), wk = 0.0027397 k( 353) = ( 0.6251041 -0.6993714 -0.4279784), wk = 0.0027397 k( 354) = ( 0.6407421 -0.6918794 -0.4233937), wk = 0.0027397 k( 355) = ( 0.6563801 -0.6843874 -0.4188090), wk = 0.0027397 k( 356) = ( 0.6720181 -0.6768954 -0.4142243), wk = 0.0027397 k( 357) = ( 0.6876562 -0.6694035 -0.4096396), wk = 0.0027397 k( 358) = ( 0.7032942 -0.6619115 -0.4050549), wk = 0.0027397 k( 359) = ( 0.7189322 -0.6544196 -0.4004702), wk = 0.0027397 k( 360) = ( 0.7345702 -0.6469276 -0.3958855), wk = 0.0027397 k( 361) = ( 0.7502082 -0.6394356 -0.3913009), wk = 0.0027397 k( 362) = ( 0.7658462 -0.6319436 -0.3867162), wk = 0.0027397 k( 363) = ( 0.7814842 -0.6244517 -0.3821315), wk = 0.0027397 k( 364) = ( 0.7971223 -0.6169597 -0.3775468), wk = 0.0027397 k( 365) = ( 0.8127603 -0.6094677 -0.3729621), wk = 0.0027397 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0027397 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0027397 k( 4) = ( 0.0272727 0.0000000 0.0000000), wk = 0.0027397 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0027397 k( 6) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0027397 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0027397 k( 8) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0027397 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0027397 k( 10) = ( 0.0818182 0.0000000 0.0000000), wk = 0.0027397 k( 11) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0027397 k( 12) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0027397 k( 13) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0027397 k( 14) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0027397 k( 15) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0027397 k( 16) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0027397 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0027397 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0027397 k( 19) = ( 0.1636364 0.0000000 0.0000000), wk = 0.0027397 k( 20) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0027397 k( 21) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0027397 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0027397 k( 23) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0027397 k( 24) = ( 0.2090909 0.0000000 0.0000000), wk = 0.0027397 k( 25) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0027397 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0027397 k( 27) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0027397 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0027397 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0027397 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0027397 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0027397 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0027397 k( 33) = ( 0.2909091 0.0000000 0.0000000), wk = 0.0027397 k( 34) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027397 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0027397 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0027397 k( 37) = ( 0.3272727 0.0000000 0.0000000), wk = 0.0027397 k( 38) = ( 0.3363636 0.0000000 0.0000000), wk = 0.0027397 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0027397 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0027397 k( 41) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0027397 k( 42) = ( 0.3727273 0.0000000 0.0000000), wk = 0.0027397 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0027397 k( 44) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0027397 k( 45) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0027397 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0027397 k( 47) = ( 0.4181818 0.0000000 0.0000000), wk = 0.0027397 k( 48) = ( 0.4272727 -0.0000000 0.0000000), wk = 0.0027397 k( 49) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0027397 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0027397 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0027397 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0027397 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0027397 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0027397 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0027397 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 58) = ( 0.5000000 0.0052011 -0.0052011), wk = 0.0027397 k( 59) = ( 0.5000000 0.0104022 -0.0104022), wk = 0.0027397 k( 60) = ( 0.5000000 0.0156033 -0.0156033), wk = 0.0027397 k( 61) = ( 0.5000000 0.0208044 -0.0208044), wk = 0.0027397 k( 62) = ( 0.5000000 0.0260055 -0.0260055), wk = 0.0027397 k( 63) = ( 0.5000000 0.0312066 -0.0312066), wk = 0.0027397 k( 64) = ( 0.5000000 0.0364077 -0.0364077), wk = 0.0027397 k( 65) = ( 0.5000000 0.0416088 -0.0416088), wk = 0.0027397 k( 66) = ( 0.5000000 0.0468099 -0.0468099), wk = 0.0027397 k( 67) = ( 0.5000000 0.0520110 -0.0520110), wk = 0.0027397 k( 68) = ( 0.5000000 0.0572121 -0.0572121), wk = 0.0027397 k( 69) = ( 0.5000000 0.0624132 -0.0624132), wk = 0.0027397 k( 70) = ( 0.5000000 0.0676143 -0.0676143), wk = 0.0027397 k( 71) = ( 0.5000000 0.0728155 -0.0728154), wk = 0.0027397 k( 72) = ( 0.5000000 0.0780166 -0.0780165), wk = 0.0027397 k( 73) = ( 0.5000000 0.0832177 -0.0832176), wk = 0.0027397 k( 74) = ( 0.5000000 0.0884188 -0.0884188), wk = 0.0027397 k( 75) = ( 0.5000000 0.0936199 -0.0936199), wk = 0.0027397 k( 76) = ( 0.5000000 0.0988210 -0.0988210), wk = 0.0027397 k( 77) = ( 0.5000000 0.1040221 -0.1040221), wk = 0.0027397 k( 78) = ( 0.5000000 0.1092232 -0.1092232), wk = 0.0027397 k( 79) = ( 0.5000000 0.1144243 -0.1144243), wk = 0.0027397 k( 80) = ( 0.5000000 0.1196254 -0.1196254), wk = 0.0027397 k( 81) = ( 0.5000000 0.1248265 -0.1248265), wk = 0.0027397 k( 82) = ( 0.5000000 0.1300276 -0.1300276), wk = 0.0027397 k( 83) = ( 0.5000000 0.1352287 -0.1352287), wk = 0.0027397 k( 84) = ( 0.5000000 0.1404298 -0.1404298), wk = 0.0027397 k( 85) = ( 0.5000000 0.1456309 -0.1456309), wk = 0.0027397 k( 86) = ( 0.5000000 0.1508320 -0.1508320), wk = 0.0027397 k( 87) = ( 0.5000000 0.1560331 -0.1560331), wk = 0.0027397 k( 88) = ( 0.5000000 0.1612342 -0.1612342), wk = 0.0027397 k( 89) = ( 0.5000000 0.1664353 -0.1664353), wk = 0.0027397 k( 90) = ( 0.5000000 0.1716364 -0.1716364), wk = 0.0027397 k( 91) = ( 0.5000000 0.1768375 -0.1768375), wk = 0.0027397 k( 92) = ( 0.5000000 0.1820386 -0.1820386), wk = 0.0027397 k( 93) = ( 0.5000000 0.1872397 -0.1872397), wk = 0.0027397 k( 94) = ( 0.8127603 0.5000000 0.1872397), wk = 0.0027397 k( 95) = ( 0.8074593 0.5000000 0.1925407), wk = 0.0027397 k( 96) = ( 0.8021582 0.5000000 0.1978418), wk = 0.0027397 k( 97) = ( 0.7968572 0.5000000 0.2031428), wk = 0.0027397 k( 98) = ( 0.7915562 0.5000000 0.2084438), wk = 0.0027397 k( 99) = ( 0.7862552 0.5000000 0.2137448), wk = 0.0027397 k( 100) = ( 0.7809542 0.5000000 0.2190459), wk = 0.0027397 k( 101) = ( 0.7756531 0.5000000 0.2243469), wk = 0.0027397 k( 102) = ( 0.7703521 0.5000000 0.2296479), wk = 0.0027397 k( 103) = ( 0.7650511 0.5000000 0.2349489), wk = 0.0027397 k( 104) = ( 0.7597501 0.5000000 0.2402499), wk = 0.0027397 k( 105) = ( 0.7544490 0.5000000 0.2455510), wk = 0.0027397 k( 106) = ( 0.7491480 0.5000000 0.2508520), wk = 0.0027397 k( 107) = ( 0.7438470 0.5000000 0.2561530), wk = 0.0027397 k( 108) = ( 0.7385460 0.5000000 0.2614540), wk = 0.0027397 k( 109) = ( 0.7332450 0.5000000 0.2667551), wk = 0.0027397 k( 110) = ( 0.7279439 0.5000000 0.2720561), wk = 0.0027397 k( 111) = ( 0.7226429 0.5000000 0.2773571), wk = 0.0027397 k( 112) = ( 0.7173419 0.5000000 0.2826581), wk = 0.0027397 k( 113) = ( 0.7120409 0.5000000 0.2879591), wk = 0.0027397 k( 114) = ( 0.7067398 0.5000000 0.2932602), wk = 0.0027397 k( 115) = ( 0.7014388 0.5000000 0.2985612), wk = 0.0027397 k( 116) = ( 0.6961378 0.5000000 0.3038622), wk = 0.0027397 k( 117) = ( 0.6908368 0.5000000 0.3091632), wk = 0.0027397 k( 118) = ( 0.6855358 0.5000000 0.3144642), wk = 0.0027397 k( 119) = ( 0.6802347 0.5000000 0.3197653), wk = 0.0027397 k( 120) = ( 0.6749337 0.5000000 0.3250663), wk = 0.0027397 k( 121) = ( 0.6696327 0.5000000 0.3303673), wk = 0.0027397 k( 122) = ( 0.6643317 0.5000000 0.3356683), wk = 0.0027397 k( 123) = ( 0.6590307 0.5000000 0.3409694), wk = 0.0027397 k( 124) = ( 0.6537296 0.5000000 0.3462704), wk = 0.0027397 k( 125) = ( 0.6484286 0.5000000 0.3515714), wk = 0.0027397 k( 126) = ( 0.6431276 0.5000000 0.3568724), wk = 0.0027397 k( 127) = ( 0.6378266 0.5000000 0.3621734), wk = 0.0027397 k( 128) = ( 0.6325255 0.5000000 0.3674745), wk = 0.0027397 k( 129) = ( 0.6272245 0.5000000 0.3727755), wk = 0.0027397 k( 130) = ( 0.6219235 0.5000000 0.3780765), wk = 0.0027397 k( 131) = ( 0.6166225 0.5000000 0.3833775), wk = 0.0027397 k( 132) = ( 0.6113215 0.5000000 0.3886785), wk = 0.0027397 k( 133) = ( 0.6060204 0.5000000 0.3939796), wk = 0.0027397 k( 134) = ( 0.6007194 0.5000000 0.3992806), wk = 0.0027397 k( 135) = ( 0.5954184 0.5000000 0.4045816), wk = 0.0027397 k( 136) = ( 0.5901174 0.5000000 0.4098826), wk = 0.0027397 k( 137) = ( 0.5848163 0.5000000 0.4151837), wk = 0.0027397 k( 138) = ( 0.5795153 0.5000000 0.4204847), wk = 0.0027397 k( 139) = ( 0.5742143 0.5000000 0.4257857), wk = 0.0027397 k( 140) = ( 0.5689133 0.5000000 0.4310867), wk = 0.0027397 k( 141) = ( 0.5636123 0.5000000 0.4363877), wk = 0.0027397 k( 142) = ( 0.5583112 0.5000000 0.4416888), wk = 0.0027397 k( 143) = ( 0.5530102 0.5000000 0.4469898), wk = 0.0027397 k( 144) = ( 0.5477092 0.5000000 0.4522908), wk = 0.0027397 k( 145) = ( 0.5424082 0.5000000 0.4575918), wk = 0.0027397 k( 146) = ( 0.5371071 0.5000000 0.4628929), wk = 0.0027397 k( 147) = ( 0.5318061 0.5000000 0.4681939), wk = 0.0027397 k( 148) = ( 0.5265051 0.5000000 0.4734949), wk = 0.0027397 k( 149) = ( 0.5212041 0.5000000 0.4787959), wk = 0.0027397 k( 150) = ( 0.5159031 0.5000000 0.4840969), wk = 0.0027397 k( 151) = ( 0.5106020 0.5000000 0.4893980), wk = 0.0027397 k( 152) = ( 0.5053010 0.5000000 0.4946990), wk = 0.0027397 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 155) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0027397 k( 156) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0027397 k( 157) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0027397 k( 158) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0027397 k( 159) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0027397 k( 160) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0027397 k( 161) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0027397 k( 162) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0027397 k( 163) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0027397 k( 164) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0027397 k( 165) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0027397 k( 166) = ( 0.2931034 0.2931034 0.2931035), wk = 0.0027397 k( 167) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0027397 k( 168) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0027397 k( 169) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0027397 k( 170) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0027397 k( 171) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0027397 k( 172) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0027397 k( 173) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0027397 k( 174) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0027397 k( 175) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0027397 k( 176) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0027397 k( 177) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0027397 k( 178) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0027397 k( 179) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0027397 k( 180) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0027397 k( 181) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0027397 k( 182) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0027397 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 185) = ( 0.0052865 0.0000000 -0.0052865), wk = 0.0027397 k( 186) = ( 0.0105729 0.0000000 -0.0105729), wk = 0.0027397 k( 187) = ( 0.0158594 0.0000000 -0.0158594), wk = 0.0027397 k( 188) = ( 0.0211458 0.0000000 -0.0211458), wk = 0.0027397 k( 189) = ( 0.0264323 0.0000000 -0.0264323), wk = 0.0027397 k( 190) = ( 0.0317188 0.0000000 -0.0317188), wk = 0.0027397 k( 191) = ( 0.0370052 0.0000000 -0.0370052), wk = 0.0027397 k( 192) = ( 0.0422917 0.0000000 -0.0422917), wk = 0.0027397 k( 193) = ( 0.0475781 0.0000000 -0.0475781), wk = 0.0027397 k( 194) = ( 0.0528646 0.0000000 -0.0528646), wk = 0.0027397 k( 195) = ( 0.0581511 0.0000000 -0.0581510), wk = 0.0027397 k( 196) = ( 0.0634375 0.0000000 -0.0634375), wk = 0.0027397 k( 197) = ( 0.0687240 0.0000000 -0.0687240), wk = 0.0027397 k( 198) = ( 0.0740104 0.0000000 -0.0740104), wk = 0.0027397 k( 199) = ( 0.0792969 0.0000000 -0.0792969), wk = 0.0027397 k( 200) = ( 0.0845834 0.0000000 -0.0845833), wk = 0.0027397 k( 201) = ( 0.0898698 0.0000000 -0.0898698), wk = 0.0027397 k( 202) = ( 0.0951563 0.0000000 -0.0951563), wk = 0.0027397 k( 203) = ( 0.1004427 0.0000000 -0.1004427), wk = 0.0027397 k( 204) = ( 0.1057292 0.0000000 -0.1057292), wk = 0.0027397 k( 205) = ( 0.1110156 0.0000000 -0.1110156), wk = 0.0027397 k( 206) = ( 0.1163021 0.0000000 -0.1163021), wk = 0.0027397 k( 207) = ( 0.1215886 0.0000000 -0.1215886), wk = 0.0027397 k( 208) = ( 0.1268750 0.0000000 -0.1268750), wk = 0.0027397 k( 209) = ( 0.1321615 0.0000000 -0.1321615), wk = 0.0027397 k( 210) = ( 0.1374479 0.0000000 -0.1374479), wk = 0.0027397 k( 211) = ( 0.1427344 0.0000000 -0.1427344), wk = 0.0027397 k( 212) = ( 0.1480209 0.0000000 -0.1480209), wk = 0.0027397 k( 213) = ( 0.1533073 0.0000000 -0.1533073), wk = 0.0027397 k( 214) = ( 0.1585938 0.0000000 -0.1585938), wk = 0.0027397 k( 215) = ( 0.1638802 0.0000000 -0.1638802), wk = 0.0027397 k( 216) = ( 0.1691667 0.0000000 -0.1691667), wk = 0.0027397 k( 217) = ( 0.1744532 0.0000000 -0.1744532), wk = 0.0027397 k( 218) = ( 0.1797396 0.0000000 -0.1797396), wk = 0.0027397 k( 219) = ( 0.1850261 0.0000000 -0.1850261), wk = 0.0027397 k( 220) = ( 0.1903125 0.0000000 -0.1903125), wk = 0.0027397 k( 221) = ( 0.1955990 0.0000000 -0.1955990), wk = 0.0027397 k( 222) = ( 0.2008855 0.0000000 -0.2008855), wk = 0.0027397 k( 223) = ( 0.2061719 0.0000000 -0.2061719), wk = 0.0027397 k( 224) = ( 0.2114584 0.0000000 -0.2114584), wk = 0.0027397 k( 225) = ( 0.2167448 0.0000000 -0.2167448), wk = 0.0027397 k( 226) = ( 0.2220313 0.0000000 -0.2220313), wk = 0.0027397 k( 227) = ( 0.2273178 0.0000000 -0.2273177), wk = 0.0027397 k( 228) = ( 0.2326042 0.0000000 -0.2326042), wk = 0.0027397 k( 229) = ( 0.2378907 0.0000000 -0.2378907), wk = 0.0027397 k( 230) = ( 0.2431771 0.0000000 -0.2431771), wk = 0.0027397 k( 231) = ( 0.2484636 0.0000000 -0.2484636), wk = 0.0027397 k( 232) = ( 0.2537501 0.0000000 -0.2537500), wk = 0.0027397 k( 233) = ( 0.2590365 0.0000000 -0.2590365), wk = 0.0027397 k( 234) = ( 0.2643230 0.0000000 -0.2643230), wk = 0.0027397 k( 235) = ( 0.2696094 0.0000000 -0.2696094), wk = 0.0027397 k( 236) = ( 0.2748959 0.0000000 -0.2748959), wk = 0.0027397 k( 237) = ( 0.2801824 0.0000000 -0.2801824), wk = 0.0027397 k( 238) = ( 0.2854688 0.0000000 -0.2854688), wk = 0.0027397 k( 239) = ( 0.2907553 0.0000000 -0.2907553), wk = 0.0027397 k( 240) = ( 0.2960417 0.0000000 -0.2960417), wk = 0.0027397 k( 241) = ( 0.3013282 0.0000000 -0.3013282), wk = 0.0027397 k( 242) = ( 0.3066146 0.0000000 -0.3066146), wk = 0.0027397 k( 243) = ( 0.3119011 0.0000000 -0.3119011), wk = 0.0027397 k( 244) = ( 0.3171876 0.0000000 -0.3171876), wk = 0.0027397 k( 245) = ( 0.3224740 0.0000000 -0.3224740), wk = 0.0027397 k( 246) = ( 0.3277605 0.0000000 -0.3277605), wk = 0.0027397 k( 247) = ( 0.3330469 0.0000000 -0.3330469), wk = 0.0027397 k( 248) = ( 0.3383334 0.0000000 -0.3383334), wk = 0.0027397 k( 249) = ( 0.3436199 0.0000000 -0.3436199), wk = 0.0027397 k( 250) = ( 0.6563801 0.3436199 0.0000000), wk = 0.0027397 k( 251) = ( 0.6511675 0.3488325 0.0000000), wk = 0.0027397 k( 252) = ( 0.6459548 0.3540452 0.0000000), wk = 0.0027397 k( 253) = ( 0.6407421 0.3592579 0.0000000), wk = 0.0027397 k( 254) = ( 0.6355295 0.3644706 0.0000000), wk = 0.0027397 k( 255) = ( 0.6303168 0.3696832 0.0000000), wk = 0.0027397 k( 256) = ( 0.6251041 0.3748959 0.0000000), wk = 0.0027397 k( 257) = ( 0.6198914 0.3801086 0.0000000), wk = 0.0027397 k( 258) = ( 0.6146788 0.3853212 0.0000000), wk = 0.0027397 k( 259) = ( 0.6094661 0.3905339 0.0000000), wk = 0.0027397 k( 260) = ( 0.6042534 0.3957466 0.0000000), wk = 0.0027397 k( 261) = ( 0.5990408 0.4009592 0.0000000), wk = 0.0027397 k( 262) = ( 0.5938281 0.4061719 0.0000000), wk = 0.0027397 k( 263) = ( 0.5886154 0.4113846 0.0000000), wk = 0.0027397 k( 264) = ( 0.5834027 0.4165973 0.0000000), wk = 0.0027397 k( 265) = ( 0.5781901 0.4218099 0.0000000), wk = 0.0027397 k( 266) = ( 0.5729774 0.4270226 0.0000000), wk = 0.0027397 k( 267) = ( 0.5677647 0.4322353 0.0000000), wk = 0.0027397 k( 268) = ( 0.5625521 0.4374479 0.0000000), wk = 0.0027397 k( 269) = ( 0.5573394 0.4426606 0.0000000), wk = 0.0027397 k( 270) = ( 0.5521267 0.4478733 0.0000000), wk = 0.0027397 k( 271) = ( 0.5469140 0.4530860 0.0000000), wk = 0.0027397 k( 272) = ( 0.5417014 0.4582986 0.0000000), wk = 0.0027397 k( 273) = ( 0.5364887 0.4635113 0.0000000), wk = 0.0027397 k( 274) = ( 0.5312760 0.4687240 0.0000000), wk = 0.0027397 k( 275) = ( 0.5260634 0.4739366 0.0000000), wk = 0.0027397 k( 276) = ( 0.5208507 0.4791493 0.0000000), wk = 0.0027397 k( 277) = ( 0.5156380 0.4843620 0.0000000), wk = 0.0027397 k( 278) = ( 0.5104253 0.4895747 0.0000000), wk = 0.0027397 k( 279) = ( 0.5052127 0.4947873 0.0000000), wk = 0.0027397 k( 280) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 281) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 282) = ( 0.5142164 0.5142164 0.0170218), wk = 0.0027397 k( 283) = ( 0.5284328 0.5284328 0.0340436), wk = 0.0027397 k( 284) = ( 0.5426491 0.5426491 0.0510654), wk = 0.0027397 k( 285) = ( 0.5568655 0.5568655 0.0680872), wk = 0.0027397 k( 286) = ( 0.5710819 0.5710819 0.0851090), wk = 0.0027397 k( 287) = ( 0.5852983 0.5852983 0.1021308), wk = 0.0027397 k( 288) = ( 0.5995146 0.5995146 0.1191526), wk = 0.0027397 k( 289) = ( 0.6137310 0.6137310 0.1361743), wk = 0.0027397 k( 290) = ( 0.6279474 0.6279474 0.1531961), wk = 0.0027397 k( 291) = ( 0.6421638 0.6421638 0.1702179), wk = 0.0027397 k( 292) = ( 0.6563801 0.6563801 0.1872397), wk = 0.0027397 k( 293) = ( 0.6563801 0.6563801 0.1872397), wk = 0.0027397 k( 294) = ( 0.6533139 0.6533139 0.1933723), wk = 0.0027397 k( 295) = ( 0.6502476 0.6502476 0.1995048), wk = 0.0027397 k( 296) = ( 0.6471813 0.6471813 0.2056374), wk = 0.0027397 k( 297) = ( 0.6441150 0.6441150 0.2117699), wk = 0.0027397 k( 298) = ( 0.6410487 0.6410488 0.2179025), wk = 0.0027397 k( 299) = ( 0.6379825 0.6379825 0.2240351), wk = 0.0027397 k( 300) = ( 0.6349162 0.6349162 0.2301676), wk = 0.0027397 k( 301) = ( 0.6318499 0.6318499 0.2363002), wk = 0.0027397 k( 302) = ( 0.6287836 0.6287836 0.2424327), wk = 0.0027397 k( 303) = ( 0.6257174 0.6257174 0.2485653), wk = 0.0027397 k( 304) = ( 0.6226511 0.6226511 0.2546978), wk = 0.0027397 k( 305) = ( 0.6195848 0.6195848 0.2608304), wk = 0.0027397 k( 306) = ( 0.6165185 0.6165185 0.2669629), wk = 0.0027397 k( 307) = ( 0.6134523 0.6134523 0.2730955), wk = 0.0027397 k( 308) = ( 0.6103860 0.6103860 0.2792280), wk = 0.0027397 k( 309) = ( 0.6073197 0.6073197 0.2853606), wk = 0.0027397 k( 310) = ( 0.6042534 0.6042534 0.2914932), wk = 0.0027397 k( 311) = ( 0.6011872 0.6011872 0.2976257), wk = 0.0027397 k( 312) = ( 0.5981209 0.5981209 0.3037583), wk = 0.0027397 k( 313) = ( 0.5950546 0.5950546 0.3098908), wk = 0.0027397 k( 314) = ( 0.5919883 0.5919883 0.3160234), wk = 0.0027397 k( 315) = ( 0.5889220 0.5889220 0.3221559), wk = 0.0027397 k( 316) = ( 0.5858558 0.5858558 0.3282885), wk = 0.0027397 k( 317) = ( 0.5827895 0.5827895 0.3344210), wk = 0.0027397 k( 318) = ( 0.5797232 0.5797232 0.3405536), wk = 0.0027397 k( 319) = ( 0.5766569 0.5766569 0.3466861), wk = 0.0027397 k( 320) = ( 0.5735906 0.5735907 0.3528187), wk = 0.0027397 k( 321) = ( 0.5705244 0.5705244 0.3589512), wk = 0.0027397 k( 322) = ( 0.5674581 0.5674581 0.3650838), wk = 0.0027397 k( 323) = ( 0.5643918 0.5643918 0.3712164), wk = 0.0027397 k( 324) = ( 0.5613255 0.5613255 0.3773489), wk = 0.0027397 k( 325) = ( 0.5582593 0.5582593 0.3834815), wk = 0.0027397 k( 326) = ( 0.5551930 0.5551930 0.3896140), wk = 0.0027397 k( 327) = ( 0.5521267 0.5521267 0.3957466), wk = 0.0027397 k( 328) = ( 0.5490604 0.5490604 0.4018791), wk = 0.0027397 k( 329) = ( 0.5459942 0.5459942 0.4080117), wk = 0.0027397 k( 330) = ( 0.5429279 0.5429279 0.4141442), wk = 0.0027397 k( 331) = ( 0.5398616 0.5398616 0.4202768), wk = 0.0027397 k( 332) = ( 0.5367953 0.5367953 0.4264094), wk = 0.0027397 k( 333) = ( 0.5337291 0.5337291 0.4325419), wk = 0.0027397 k( 334) = ( 0.5306628 0.5306628 0.4386745), wk = 0.0027397 k( 335) = ( 0.5275965 0.5275965 0.4448070), wk = 0.0027397 k( 336) = ( 0.5245302 0.5245302 0.4509396), wk = 0.0027397 k( 337) = ( 0.5214639 0.5214639 0.4570721), wk = 0.0027397 k( 338) = ( 0.5183977 0.5183977 0.4632047), wk = 0.0027397 k( 339) = ( 0.5153314 0.5153314 0.4693372), wk = 0.0027397 k( 340) = ( 0.5122651 0.5122651 0.4754698), wk = 0.0027397 k( 341) = ( 0.5091988 0.5091988 0.4816023), wk = 0.0027397 k( 342) = ( 0.5061326 0.5061326 0.4877349), wk = 0.0027397 k( 343) = ( 0.5030663 0.5030663 0.4938675), wk = 0.0027397 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 345) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 346) = ( 0.5156380 0.0171810 0.0171810), wk = 0.0027397 k( 347) = ( 0.5312760 0.0343620 0.0343620), wk = 0.0027397 k( 348) = ( 0.5469140 0.0515430 0.0515430), wk = 0.0027397 k( 349) = ( 0.5625521 0.0687240 0.0687240), wk = 0.0027397 k( 350) = ( 0.5781901 0.0859050 0.0859050), wk = 0.0027397 k( 351) = ( 0.5938281 0.1030860 0.1030860), wk = 0.0027397 k( 352) = ( 0.6094661 0.1202670 0.1202670), wk = 0.0027397 k( 353) = ( 0.6251041 0.1374479 0.1374479), wk = 0.0027397 k( 354) = ( 0.6407421 0.1546289 0.1546289), wk = 0.0027397 k( 355) = ( 0.6563801 0.1718099 0.1718099), wk = 0.0027397 k( 356) = ( 0.6720181 0.1889909 0.1889909), wk = 0.0027397 k( 357) = ( 0.6876562 0.2061719 0.2061719), wk = 0.0027397 k( 358) = ( 0.7032942 0.2233529 0.2233529), wk = 0.0027397 k( 359) = ( 0.7189322 0.2405339 0.2405339), wk = 0.0027397 k( 360) = ( 0.7345702 0.2577149 0.2577149), wk = 0.0027397 k( 361) = ( 0.7502082 0.2748959 0.2748959), wk = 0.0027397 k( 362) = ( 0.7658462 0.2920769 0.2920769), wk = 0.0027397 k( 363) = ( 0.7814842 0.3092579 0.3092579), wk = 0.0027397 k( 364) = ( 0.7971223 0.3264389 0.3264389), wk = 0.0027397 k( 365) = ( 0.8127603 0.3436199 0.3436199), wk = 0.0027397 Dense grid: 35597 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 26797 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 188, 42) NL pseudopotentials 0.11 Mb ( 94, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 989) G-vector shells 0.01 Mb ( 852) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 188, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.10 Mb ( 76, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaTlO2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.8 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.9 secs Computing kpt #: 22 total cpu time spent up to now is 11.3 secs Computing kpt #: 23 total cpu time spent up to now is 11.6 secs Computing kpt #: 24 total cpu time spent up to now is 12.0 secs Computing kpt #: 25 total cpu time spent up to now is 12.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.8 secs Computing kpt #: 27 total cpu time spent up to now is 13.2 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.9 secs Computing kpt #: 30 total cpu time spent up to now is 14.3 secs Computing kpt #: 31 total cpu time spent up to now is 14.7 secs Computing kpt #: 32 total cpu time spent up to now is 15.1 secs Computing kpt #: 33 total cpu time spent up to now is 15.5 secs Computing kpt #: 34 total cpu time spent up to now is 15.9 secs Computing kpt #: 35 total cpu time spent up to now is 16.3 secs Computing kpt #: 36 total cpu time spent up to now is 16.7 secs Computing kpt #: 37 total cpu time spent up to now is 17.1 secs Computing kpt #: 38 total cpu time spent up to now is 17.5 secs Computing kpt #: 39 total cpu time spent up to now is 17.9 secs Computing kpt #: 40 total cpu time spent up to now is 18.3 secs Computing kpt #: 41 total cpu time spent up to now is 18.7 secs Computing kpt #: 42 total cpu time spent up to now is 19.2 secs Computing kpt #: 43 total cpu time spent up to now is 19.6 secs Computing kpt #: 44 total cpu 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Computing kpt #: 60 total cpu time spent up to now is 27.0 secs Computing kpt #: 61 total cpu time spent up to now is 27.5 secs Computing kpt #: 62 total cpu time spent up to now is 28.0 secs Computing kpt #: 63 total cpu time spent up to now is 28.4 secs Computing kpt #: 64 total cpu time spent up to now is 28.8 secs Computing kpt #: 65 total cpu time spent up to now is 29.2 secs Computing kpt #: 66 total cpu time spent up to now is 29.6 secs Computing kpt #: 67 total cpu time spent up to now is 30.1 secs Computing kpt #: 68 total cpu time spent up to now is 30.5 secs Computing kpt #: 69 total cpu time spent up to now is 30.9 secs Computing kpt #: 70 total cpu time spent up to now is 31.3 secs Computing kpt #: 71 total cpu time spent up to now is 31.7 secs Computing kpt #: 72 total cpu time spent up to now is 32.0 secs Computing kpt #: 73 total cpu time spent up to now is 32.4 secs Computing kpt #: 74 total cpu time spent up to now is 32.8 secs Computing kpt #: 75 total cpu time spent up to now is 33.2 secs Computing kpt #: 76 total cpu time spent up to now is 33.6 secs Computing kpt #: 77 total cpu time spent up to now is 34.0 secs Computing kpt #: 78 total cpu time spent up to now is 34.4 secs Computing kpt #: 79 total cpu time spent up to now is 34.8 secs Computing kpt #: 80 total cpu time spent up to now is 35.2 secs Computing kpt #: 81 total cpu time spent up to now is 35.5 secs Computing kpt #: 82 total cpu time spent up to now is 35.9 secs Computing kpt #: 83 total cpu time spent up to now is 36.3 secs Computing kpt #: 84 total cpu time spent up to now is 36.7 secs Computing kpt #: 85 total cpu time spent up to now is 37.1 secs Computing kpt #: 86 total cpu time spent up to now is 37.5 secs Computing kpt #: 87 total cpu time spent up to now is 37.9 secs Computing kpt #: 88 total cpu time spent up to now is 38.3 secs Computing kpt #: 89 total cpu time spent up to now is 38.6 secs Computing kpt #: 90 total cpu time spent up to now is 39.0 secs Computing kpt #: 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is 45.3 secs Computing kpt #: 107 total cpu time spent up to now is 45.7 secs Computing kpt #: 108 total cpu time spent up to now is 46.1 secs Computing kpt #: 109 total cpu time spent up to now is 46.4 secs Computing kpt #: 110 total cpu time spent up to now is 46.8 secs Computing kpt #: 111 total cpu time spent up to now is 47.2 secs Computing kpt #: 112 total cpu time spent up to now is 47.6 secs Computing kpt #: 113 total cpu time spent up to now is 48.0 secs Computing kpt #: 114 total cpu time spent up to now is 48.4 secs Computing kpt #: 115 total cpu time spent up to now is 48.8 secs Computing kpt #: 116 total cpu time spent up to now is 49.2 secs Computing kpt #: 117 total cpu time spent up to now is 49.5 secs Computing kpt #: 118 total cpu time spent up to now is 49.9 secs Computing kpt #: 119 total cpu time spent up to now is 50.3 secs Computing kpt #: 120 total cpu time spent up to now is 50.7 secs Computing kpt #: 121 total cpu time spent up to now is 51.1 secs Computing 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spent up to now is 57.4 secs Computing kpt #: 138 total cpu time spent up to now is 57.8 secs Computing kpt #: 139 total cpu time spent up to now is 58.2 secs Computing kpt #: 140 total cpu time spent up to now is 58.6 secs Computing kpt #: 141 total cpu time spent up to now is 59.0 secs Computing kpt #: 142 total cpu time spent up to now is 59.4 secs Computing kpt #: 143 total cpu time spent up to now is 59.8 secs Computing kpt #: 144 total cpu time spent up to now is 60.2 secs Computing kpt #: 145 total cpu time spent up to now is 60.6 secs Computing kpt #: 146 total cpu time spent up to now is 61.0 secs Computing kpt #: 147 total cpu time spent up to now is 61.4 secs Computing kpt #: 148 total cpu time spent up to now is 61.7 secs Computing kpt #: 149 total cpu time spent up to now is 62.1 secs Computing kpt #: 150 total cpu time spent up to now is 62.5 secs Computing kpt #: 151 total cpu time spent up to now is 62.9 secs Computing kpt #: 152 total cpu time spent up to now is 63.2 secs Computing kpt #: 153 total cpu time spent up to now is 63.6 secs Computing kpt #: 154 total cpu time spent up to now is 63.9 secs Computing kpt #: 155 total cpu time spent up to now is 64.3 secs Computing kpt #: 156 total cpu time spent up to now is 64.7 secs Computing kpt #: 157 total cpu time spent up to now is 65.1 secs Computing kpt #: 158 total cpu time spent up to now is 65.5 secs Computing kpt #: 159 total cpu time spent up to now is 65.9 secs Computing kpt #: 160 total cpu time spent up to now is 66.3 secs Computing kpt #: 161 total cpu time spent up to now is 66.7 secs Computing kpt #: 162 total cpu time spent up to now is 67.1 secs Computing kpt #: 163 total cpu time spent up to now is 67.4 secs Computing kpt #: 164 total cpu time spent up to now is 67.8 secs Computing kpt #: 165 total cpu time spent up to now is 68.2 secs Computing kpt #: 166 total cpu time spent up to now is 68.5 secs Computing kpt #: 167 total cpu time spent up to now is 68.9 secs Computing kpt #: 168 total cpu time spent up to now is 69.2 secs Computing kpt #: 169 total cpu time spent up to now is 69.6 secs Computing kpt #: 170 total cpu time spent up to now is 70.0 secs Computing kpt #: 171 total cpu time spent up to now is 70.3 secs Computing kpt #: 172 total cpu time spent up to now is 70.7 secs Computing kpt #: 173 total cpu time spent up to now is 71.0 secs Computing kpt #: 174 total cpu time spent up to now is 71.4 secs Computing kpt #: 175 total cpu time spent up to now is 71.7 secs Computing kpt #: 176 total cpu time spent up to now is 72.1 secs Computing kpt #: 177 total cpu time spent up to now is 72.4 secs Computing kpt #: 178 total cpu time spent up to now is 72.8 secs Computing kpt #: 179 total cpu time spent up to now is 73.1 secs Computing kpt #: 180 total cpu time spent up to now is 73.4 secs Computing kpt #: 181 total cpu time spent up to now is 73.8 secs Computing kpt #: 182 total cpu time spent up to now is 74.1 secs Computing kpt #: 183 total cpu time spent up to now is 74.5 secs Computing kpt #: 184 total cpu time spent up to now is 74.8 secs Computing kpt #: 185 total cpu time spent up to now is 75.2 secs Computing kpt #: 186 total cpu time spent up to now is 75.5 secs Computing kpt #: 187 total cpu time spent up to now is 75.9 secs Computing kpt #: 188 total cpu time spent up to now is 76.2 secs Computing kpt #: 189 total cpu time spent up to now is 76.6 secs Computing kpt #: 190 total cpu time spent up to now is 76.9 secs Computing kpt #: 191 total cpu time spent up to now is 77.3 secs Computing kpt #: 192 total cpu time spent up to now is 77.7 secs Computing kpt #: 193 total cpu time spent up to now is 78.1 secs Computing kpt #: 194 total cpu time spent up to now is 78.4 secs Computing kpt #: 195 total cpu time spent up to now is 78.8 secs Computing kpt #: 196 total cpu time spent up to now is 79.2 secs Computing kpt #: 197 total cpu time spent up to now is 79.6 secs Computing kpt #: 198 total cpu time spent up to now is 79.9 secs Computing kpt #: 199 total cpu time spent up to now is 80.5 secs Computing kpt #: 200 total cpu time spent up to now is 80.9 secs Computing kpt #: 201 total cpu time spent up to now is 81.3 secs Computing kpt #: 202 total cpu time spent up to now is 81.6 secs Computing kpt #: 203 total cpu time spent up to now is 82.0 secs Computing kpt #: 204 total cpu time spent up to now is 82.4 secs Computing kpt #: 205 total cpu time spent up to now is 82.8 secs Computing kpt #: 206 total cpu time spent up to now is 83.1 secs Computing kpt #: 207 total cpu time spent up to now is 83.5 secs Computing kpt #: 208 total cpu time spent up to now is 83.9 secs Computing kpt #: 209 total cpu time spent up to now is 84.3 secs Computing kpt #: 210 total cpu time spent up to now is 84.7 secs Computing kpt #: 211 total cpu time spent up to now is 85.1 secs Computing kpt #: 212 total cpu time spent up to now is 85.5 secs Computing kpt #: 213 total cpu time spent up to now is 85.9 secs Computing kpt #: 214 total cpu time spent up to now is 86.3 secs Computing kpt #: 215 total cpu time spent up to now is 86.7 secs Computing kpt #: 216 total cpu time spent up to now is 87.1 secs Computing kpt #: 217 total cpu time spent up to now is 87.5 secs Computing kpt #: 218 total cpu time spent up to now is 87.9 secs Computing kpt #: 219 total cpu time spent up to now is 88.3 secs Computing kpt #: 220 total cpu time spent up to now is 88.7 secs Computing kpt #: 221 total cpu time spent up to now is 89.2 secs Computing kpt #: 222 total cpu time spent up to now is 89.6 secs Computing kpt #: 223 total cpu time spent up to now is 90.0 secs Computing kpt #: 224 total cpu time spent up to now is 90.4 secs Computing kpt #: 225 total cpu time spent up to now is 90.8 secs Computing kpt #: 226 total cpu time spent up to now is 91.2 secs Computing kpt #: 227 total cpu time spent up to now is 91.6 secs Computing kpt #: 228 total cpu time spent up to now is 92.0 secs Computing kpt #: 229 total cpu time spent up to now is 92.4 secs Computing kpt #: 230 total cpu time spent up to now is 92.8 secs Computing kpt #: 231 total cpu time spent up to now is 93.2 secs Computing kpt #: 232 total cpu time spent up to now is 93.6 secs Computing kpt #: 233 total cpu time spent up to now is 94.0 secs Computing kpt #: 234 total cpu time spent up to now is 94.4 secs Computing kpt #: 235 total cpu time spent up to now is 94.8 secs Computing kpt #: 236 total cpu time spent up to now is 95.2 secs Computing kpt #: 237 total cpu time spent up to now is 95.6 secs Computing kpt #: 238 total cpu time spent up to now is 95.9 secs Computing kpt #: 239 total cpu time spent up to now is 96.3 secs Computing kpt #: 240 total cpu time spent up to now is 96.7 secs Computing kpt #: 241 total cpu time spent up to now is 97.1 secs Computing kpt #: 242 total cpu time spent up to now is 97.5 secs Computing kpt #: 243 total cpu time spent up to now is 97.9 secs Computing kpt #: 244 total cpu time spent up to now is 98.3 secs Computing kpt #: 245 total cpu time spent up to now is 98.7 secs Computing kpt #: 246 total cpu time spent up to now is 99.1 secs Computing kpt #: 247 total cpu time spent up to now is 99.4 secs Computing kpt #: 248 total cpu time spent up to now is 99.8 secs Computing kpt #: 249 total cpu time spent up to now is 100.2 secs Computing kpt #: 250 total cpu time spent up to now is 100.6 secs Computing kpt #: 251 total cpu time spent up to now is 101.0 secs Computing kpt #: 252 total cpu time spent up to now is 101.4 secs Computing kpt #: 253 total cpu time spent up to now is 101.8 secs Computing kpt #: 254 total cpu time spent up to now is 102.2 secs Computing kpt #: 255 total cpu time spent up to now is 102.6 secs Computing kpt #: 256 total cpu time spent up to now is 103.0 secs Computing kpt #: 257 total cpu time spent up to now is 103.3 secs Computing kpt #: 258 total cpu time spent up to now is 103.7 secs Computing kpt #: 259 total cpu time spent up to now is 104.1 secs Computing kpt #: 260 total cpu time spent up to now is 104.5 secs Computing kpt #: 261 total cpu time spent up to now is 104.9 secs Computing kpt #: 262 total cpu time spent up to now is 105.3 secs Computing kpt #: 263 total cpu time spent up to now is 105.7 secs Computing kpt #: 264 total cpu time spent up to now is 106.1 secs Computing kpt #: 265 total cpu time spent up to now is 106.5 secs Computing kpt #: 266 total cpu time spent up to now is 106.9 secs Computing kpt #: 267 total cpu time spent up to now is 107.3 secs Computing kpt #: 268 total cpu time spent up to now is 107.7 secs Computing kpt #: 269 total cpu time spent up to now is 108.1 secs Computing kpt #: 270 total cpu time spent up to now is 108.5 secs Computing kpt #: 271 total cpu time spent up to now is 108.9 secs Computing kpt #: 272 total cpu time spent up to now is 109.3 secs Computing kpt #: 273 total cpu time spent up to now is 109.7 secs Computing kpt #: 274 total cpu time spent up to now is 110.1 secs Computing kpt #: 275 total cpu time spent up to now is 110.6 secs Computing kpt #: 276 total cpu time spent up to now is 111.0 secs Computing kpt #: 277 total cpu time spent up to now is 111.5 secs Computing kpt #: 278 total cpu time spent up to now is 112.0 secs Computing kpt #: 279 total cpu time spent up to now is 112.7 secs Computing kpt #: 280 total cpu time spent up to now is 113.2 secs Computing kpt #: 281 total cpu time spent up to now is 113.7 secs Computing kpt #: 282 total cpu time spent up to now is 114.4 secs Computing kpt #: 283 total cpu time spent up to now is 114.9 secs Computing kpt #: 284 total cpu time spent up to now is 115.4 secs Computing kpt #: 285 total cpu time spent up to now is 115.9 secs Computing kpt #: 286 total cpu time spent up to now is 116.4 secs Computing kpt #: 287 total cpu time spent up to now is 116.9 secs Computing kpt #: 288 total cpu time spent up to now is 117.4 secs Computing kpt #: 289 total cpu time spent up to now is 117.9 secs Computing kpt #: 290 total cpu time spent up to now is 118.4 secs Computing kpt #: 291 total cpu time spent up to now is 118.9 secs Computing kpt #: 292 total cpu time spent up to now is 119.4 secs Computing kpt #: 293 total cpu time spent up to now is 119.8 secs Computing kpt #: 294 total cpu time spent up to now is 120.3 secs Computing kpt #: 295 total cpu time spent up to now is 120.8 secs Computing kpt #: 296 total cpu time spent up to now is 121.3 secs Computing kpt #: 297 total cpu time spent up to now is 121.7 secs Computing kpt #: 298 total cpu time spent up to now is 122.1 secs Computing kpt #: 299 total cpu time spent up to now is 122.6 secs Computing kpt #: 300 total cpu time spent up to now is 123.1 secs Computing kpt #: 301 total cpu time spent up to now is 123.5 secs Computing kpt #: 302 total cpu time spent up to now is 123.9 secs Computing kpt #: 303 total cpu time spent up to now is 124.4 secs Computing kpt #: 304 total cpu time spent up to now is 124.9 secs Computing kpt #: 305 total cpu time spent up to now is 125.4 secs Computing kpt #: 306 total cpu time spent up to now is 125.9 secs Computing kpt #: 307 total cpu time spent up to now is 126.4 secs Computing kpt #: 308 total cpu time spent up to now is 126.9 secs Computing kpt #: 309 total cpu time spent up to now is 127.4 secs Computing kpt #: 310 total cpu time spent up to now is 127.9 secs Computing kpt #: 311 total cpu time spent up to now is 128.4 secs Computing kpt #: 312 total cpu time spent up to now is 128.9 secs Computing kpt #: 313 total cpu time spent up to now is 129.3 secs Computing kpt #: 314 total cpu time spent up to now is 129.7 secs Computing kpt #: 315 total cpu time spent up to now is 130.2 secs Computing kpt #: 316 total cpu time spent up to now is 130.6 secs Computing kpt #: 317 total cpu time spent up to now is 131.0 secs Computing kpt #: 318 total cpu time spent up to now is 131.4 secs Computing kpt #: 319 total cpu time spent up to now is 131.9 secs Computing kpt #: 320 total cpu time spent up to now is 132.3 secs Computing kpt #: 321 total cpu time spent up to now is 132.7 secs Computing kpt #: 322 total cpu time spent up to now is 133.1 secs Computing kpt #: 323 total cpu time spent up to now is 133.5 secs Computing kpt #: 324 total cpu time spent up to now is 133.9 secs Computing kpt #: 325 total cpu time spent up to now is 134.3 secs Computing kpt #: 326 total cpu time spent up to now is 134.7 secs Computing kpt #: 327 total cpu time spent up to now is 135.1 secs Computing kpt #: 328 total cpu time spent up to now is 135.5 secs Computing kpt #: 329 total cpu time spent up to now is 135.9 secs Computing kpt #: 330 total cpu time spent up to now is 136.3 secs Computing kpt #: 331 total cpu time spent up to now is 136.7 secs Computing kpt #: 332 total cpu time spent up to now is 137.1 secs Computing kpt #: 333 total cpu time spent up to now is 137.5 secs Computing kpt #: 334 total cpu time spent up to now is 137.9 secs Computing kpt #: 335 total cpu time spent up to now is 138.3 secs Computing kpt #: 336 total cpu time spent up to now is 138.7 secs Computing kpt #: 337 total cpu time spent up to now is 139.1 secs Computing kpt #: 338 total cpu time spent up to now is 139.6 secs Computing kpt #: 339 total cpu time spent up to now is 139.9 secs Computing kpt #: 340 total cpu time spent up to now is 140.3 secs Computing kpt #: 341 total cpu time spent up to now is 140.7 secs Computing kpt #: 342 total cpu time spent up to now is 141.1 secs Computing kpt #: 343 total cpu time spent up to now is 141.4 secs Computing kpt #: 344 total cpu time spent up to now is 141.8 secs Computing kpt #: 345 total cpu time spent up to now is 142.3 secs Computing kpt #: 346 total cpu time spent up to now is 142.7 secs Computing kpt #: 347 total cpu time spent up to now is 143.2 secs Computing kpt #: 348 total cpu time spent up to now is 143.6 secs Computing kpt #: 349 total cpu time spent up to now is 144.1 secs Computing kpt #: 350 total cpu time spent up to now is 144.6 secs Computing kpt #: 351 total cpu time spent up to now is 145.1 secs Computing kpt #: 352 total cpu time spent up to now is 145.5 secs Computing kpt #: 353 total cpu time spent up to now is 145.9 secs Computing kpt #: 354 total cpu time spent up to now is 146.4 secs Computing kpt #: 355 total cpu time spent up to now is 146.8 secs Computing kpt #: 356 total cpu time spent up to now is 147.3 secs Computing kpt #: 357 total cpu time spent up to now is 147.8 secs Computing kpt #: 358 total cpu time spent up to now is 148.3 secs Computing kpt #: 359 total cpu time spent up to now is 148.8 secs Computing kpt #: 360 total cpu time spent up to now is 149.2 secs Computing kpt #: 361 total cpu time spent up to now is 149.7 secs Computing kpt #: 362 total cpu time spent up to now is 150.1 secs Computing kpt #: 363 total cpu time spent up to now is 150.6 secs Computing kpt #: 364 total cpu time spent up to now is 151.1 secs Computing kpt #: 365 total cpu time spent up to now is 151.5 secs ethr = 2.94E-08, avg # of iterations = 16.9 total cpu time spent up to now is 151.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -41.5134 -41.5134 -13.5995 -13.5995 -13.4173 -13.4173 -13.3519 -13.3519 -9.3986 -9.3986 -8.5176 -8.5176 -3.6343 -3.6343 -3.5297 -3.5297 -1.6697 -1.6697 -1.4645 -1.4645 -1.2401 -1.2401 2.3934 2.3934 6.5358 6.5358 6.6490 6.6490 6.6717 6.6717 7.1171 7.1171 7.1597 7.1597 7.8962 7.8962 12.5719 12.5719 16.8313 16.8313 18.4029 18.4029 k = 0.0091-0.0138-0.0084 ( 3373 PWs) bands (ev): -41.5134 -41.5134 -13.5994 -13.5994 -13.4173 -13.4173 -13.3519 -13.3519 -9.3979 -9.3979 -8.5178 -8.5178 -3.6340 -3.6340 -3.5294 -3.5294 -1.6693 -1.6693 -1.4643 -1.4643 -1.2401 -1.2401 2.3934 2.3934 6.5331 6.5331 6.6458 6.6458 6.6704 6.6704 7.1163 7.1163 7.1589 7.1589 7.9029 7.9029 12.5753 12.5753 16.8306 16.8306 18.3989 18.3989 k = 0.0182-0.0276-0.0169 ( 3369 PWs) bands (ev): -41.5134 -41.5134 -13.5994 -13.5994 -13.4174 -13.4174 -13.3521 -13.3521 -9.3962 -9.3962 -8.5185 -8.5185 -3.6332 -3.6332 -3.5288 -3.5288 -1.6681 -1.6681 -1.4638 -1.4638 -1.2401 -1.2401 2.3934 2.3934 6.5242 6.5242 6.6363 6.6363 6.6672 6.6672 7.1138 7.1138 7.1565 7.1565 7.9224 7.9224 12.5857 12.5857 16.8286 16.8286 18.3868 18.3868 k = 0.0273-0.0414-0.0253 ( 3365 PWs) bands (ev): -41.5133 -41.5133 -13.5993 -13.5993 -13.4176 -13.4176 -13.3524 -13.3524 -9.3932 -9.3932 -8.5195 -8.5195 -3.6320 -3.6320 -3.5276 -3.5276 -1.6662 -1.6662 -1.4630 -1.4630 -1.2401 -1.2401 2.3934 2.3934 6.5076 6.5076 6.6223 6.6223 6.6633 6.6633 7.1093 7.1093 7.1527 7.1527 7.9540 7.9540 12.6028 12.6028 16.8251 16.8251 18.3665 18.3665 k = 0.0364-0.0552-0.0338 ( 3363 PWs) bands (ev): -41.5133 -41.5133 -13.5992 -13.5992 -13.4178 -13.4178 -13.3529 -13.3529 -9.3890 -9.3890 -8.5209 -8.5209 -3.6304 -3.6304 -3.5260 -3.5260 -1.6635 -1.6635 -1.4619 -1.4619 -1.2400 -1.2400 2.3933 2.3933 6.4816 6.4816 6.6071 6.6071 6.6586 6.6586 7.1022 7.1022 7.1479 7.1479 7.9962 7.9962 12.6266 12.6266 16.8202 16.8202 18.3379 18.3379 k = 0.0455-0.0690-0.0422 ( 3356 PWs) bands (ev): -41.5132 -41.5132 -13.5991 -13.5991 -13.4181 -13.4181 -13.3534 -13.3534 -9.3837 -9.3837 -8.5227 -8.5227 -3.6283 -3.6283 -3.5240 -3.5240 -1.6600 -1.6600 -1.4604 -1.4604 -1.2399 -1.2399 2.3933 2.3933 6.4461 6.4461 6.5927 6.5927 6.6529 6.6529 7.0922 7.0922 7.1425 7.1425 8.0474 8.0474 12.6569 12.6569 16.8137 16.8137 18.3008 18.3008 k = 0.0545-0.0828-0.0507 ( 3350 PWs) bands (ev): -41.5132 -41.5132 -13.5989 -13.5989 -13.4184 -13.4184 -13.3541 -13.3541 -9.3772 -9.3772 -8.5249 -8.5249 -3.6258 -3.6258 -3.5214 -3.5214 -1.6559 -1.6559 -1.4586 -1.4586 -1.2398 -1.2398 2.3933 2.3933 6.4026 6.4026 6.5794 6.5794 6.6459 6.6459 7.0790 7.0790 7.1370 7.1370 8.1061 8.1061 12.6935 12.6935 16.8053 16.8053 18.2552 18.2552 k = 0.0636-0.0966-0.0591 ( 3351 PWs) bands (ev): -41.5131 -41.5131 -13.5988 -13.5988 -13.4189 -13.4189 -13.3550 -13.3550 -9.3696 -9.3696 -8.5274 -8.5274 -3.6231 -3.6231 -3.5184 -3.5184 -1.6512 -1.6512 -1.4565 -1.4565 -1.2396 -1.2396 2.3932 2.3932 6.3531 6.3531 6.5661 6.5661 6.6375 6.6375 7.0629 7.0629 7.1315 7.1315 8.1709 8.1709 12.7360 12.7360 16.7948 16.7948 18.2013 18.2013 k = 0.0727-0.1104-0.0676 ( 3352 PWs) bands (ev): -41.5130 -41.5130 -13.5986 -13.5986 -13.4194 -13.4194 -13.3559 -13.3559 -9.3609 -9.3609 -8.5303 -8.5303 -3.6200 -3.6200 -3.5148 -3.5148 -1.6459 -1.6459 -1.4539 -1.4539 -1.2393 -1.2393 2.3931 2.3931 6.2998 6.2998 6.5519 6.5519 6.6275 6.6275 7.0446 7.0446 7.1261 7.1261 8.2405 8.2405 12.7843 12.7843 16.7819 16.7819 18.1394 18.1394 k = 0.0818-0.1243-0.0760 ( 3352 PWs) bands (ev): -41.5129 -41.5129 -13.5984 -13.5984 -13.4200 -13.4200 -13.3570 -13.3570 -9.3512 -9.3512 -8.5335 -8.5335 -3.6168 -3.6168 -3.5106 -3.5106 -1.6400 -1.6400 -1.4511 -1.4511 -1.2388 -1.2388 2.3931 2.3931 6.2441 6.2441 6.5357 6.5357 6.6162 6.6162 7.0248 7.0248 7.1208 7.1208 8.3138 8.3138 12.8380 12.8380 16.7661 16.7661 18.0702 18.0702 k = 0.0909-0.1381-0.0845 ( 3360 PWs) bands (ev): -41.5129 -41.5129 -13.5983 -13.5983 -13.4206 -13.4206 -13.3582 -13.3582 -9.3404 -9.3404 -8.5371 -8.5371 -3.6133 -3.6133 -3.5059 -3.5059 -1.6337 -1.6337 -1.4478 -1.4478 -1.2383 -1.2383 2.3930 2.3930 6.1870 6.1870 6.5167 6.5167 6.6035 6.6035 7.0045 7.0045 7.1154 7.1154 8.3900 8.3900 12.8967 12.8967 16.7467 16.7467 17.9948 17.9948 k = 0.1000-0.1519-0.0929 ( 3359 PWs) bands (ev): -41.5127 -41.5127 -13.5981 -13.5981 -13.4214 -13.4214 -13.3594 -13.3594 -9.3286 -9.3286 -8.5409 -8.5409 -3.6098 -3.6098 -3.5006 -3.5006 -1.6269 -1.6269 -1.4441 -1.4441 -1.2376 -1.2376 2.3930 2.3930 6.1295 6.1295 6.4940 6.4940 6.5897 6.5897 6.9844 6.9844 7.1100 7.1100 8.4683 8.4683 12.9601 12.9601 16.7230 16.7230 17.9149 17.9149 k = 0.1091-0.1657-0.1014 ( 3365 PWs) bands (ev): -41.5126 -41.5126 -13.5979 -13.5979 -13.4222 -13.4222 -13.3607 -13.3607 -9.3159 -9.3159 -8.5449 -8.5449 -3.6062 -3.6062 -3.4947 -3.4947 -1.6200 -1.6200 -1.4399 -1.4399 -1.2366 -1.2366 2.3930 2.3930 6.0721 6.0721 6.4669 6.4669 6.5752 6.5752 6.9650 6.9650 7.1045 7.1045 8.5482 8.5482 13.0278 13.0278 16.6938 16.6938 17.8323 17.8323 k = 0.1182-0.1795-0.1098 ( 3367 PWs) bands (ev): -41.5125 -41.5125 -13.5978 -13.5978 -13.4230 -13.4230 -13.3621 -13.3621 -9.3023 -9.3023 -8.5492 -8.5492 -3.6026 -3.6026 -3.4881 -3.4881 -1.6128 -1.6128 -1.4352 -1.4352 -1.2354 -1.2354 2.3931 2.3931 6.0153 6.0153 6.4351 6.4351 6.5601 6.5601 6.9469 6.9469 7.0991 7.0991 8.6290 8.6290 13.0993 13.0993 16.6580 16.6580 17.7495 17.7495 k = 0.1273-0.1933-0.1183 ( 3373 PWs) bands (ev): -41.5124 -41.5124 -13.5977 -13.5977 -13.4240 -13.4240 -13.3635 -13.3635 -9.2878 -9.2878 -8.5537 -8.5537 -3.5991 -3.5991 -3.4810 -3.4810 -1.6055 -1.6055 -1.4300 -1.4300 -1.2340 -1.2340 2.3932 2.3932 5.9595 5.9595 6.3983 6.3983 6.5446 6.5446 6.9303 6.9303 7.0936 7.0936 8.7103 8.7103 13.1744 13.1744 16.6142 16.6142 17.6690 17.6690 k = 0.1364-0.2071-0.1267 ( 3373 PWs) bands (ev): -41.5123 -41.5123 -13.5975 -13.5975 -13.4249 -13.4249 -13.3649 -13.3649 -9.2725 -9.2725 -8.5583 -8.5583 -3.5956 -3.5956 -3.4732 -3.4732 -1.5983 -1.5983 -1.4242 -1.4242 -1.2322 -1.2322 2.3935 2.3935 5.9049 5.9049 6.3570 6.3570 6.5285 6.5285 6.9154 6.9154 7.0882 7.0882 8.7918 8.7918 13.2524 13.2524 16.5611 16.5611 17.5936 17.5936 k = 0.1455-0.2209-0.1352 ( 3364 PWs) bands (ev): -41.5121 -41.5121 -13.5973 -13.5973 -13.4259 -13.4259 -13.3663 -13.3663 -9.2564 -9.2564 -8.5631 -8.5631 -3.5923 -3.5923 -3.4648 -3.4648 -1.5912 -1.5912 -1.4176 -1.4176 -1.2300 -1.2300 2.3938 2.3938 5.8517 5.8517 6.3114 6.3114 6.5119 6.5119 6.9020 6.9020 7.0830 7.0830 8.8732 8.8732 13.3331 13.3331 16.4977 16.4977 17.5253 17.5253 k = 0.1545-0.2347-0.1436 ( 3362 PWs) bands (ev): -41.5120 -41.5120 -13.5973 -13.5973 -13.4269 -13.4269 -13.3678 -13.3678 -9.2397 -9.2397 -8.5680 -8.5680 -3.5891 -3.5891 -3.4558 -3.4558 -1.5844 -1.5844 -1.4104 -1.4104 -1.2274 -1.2274 2.3944 2.3944 5.8000 5.8000 6.2620 6.2620 6.4947 6.4947 6.8900 6.8900 7.0778 7.0778 8.9540 8.9540 13.4158 13.4158 16.4236 16.4236 17.4661 17.4661 k = 0.1636-0.2485-0.1521 ( 3364 PWs) bands (ev): -41.5118 -41.5118 -13.5972 -13.5972 -13.4281 -13.4281 -13.3692 -13.3692 -9.2223 -9.2223 -8.5730 -8.5730 -3.5860 -3.5860 -3.4464 -3.4464 -1.5780 -1.5780 -1.4026 -1.4026 -1.2245 -1.2245 2.3951 2.3951 5.7499 5.7499 6.2096 6.2096 6.4768 6.4768 6.8791 6.8791 7.0729 7.0729 9.0341 9.0341 13.5001 13.5001 16.3392 16.3392 17.4166 17.4166 k = 0.1727-0.2623-0.1605 ( 3366 PWs) bands (ev): -41.5117 -41.5117 -13.5972 -13.5972 -13.4293 -13.4293 -13.3707 -13.3707 -9.2044 -9.2044 -8.5780 -8.5780 -3.5832 -3.5832 -3.4365 -3.4365 -1.5721 -1.5721 -1.3939 -1.3939 -1.2210 -1.2210 2.3961 2.3961 5.7013 5.7013 6.1547 6.1547 6.4582 6.4582 6.8692 6.8692 7.0681 7.0681 9.1132 9.1132 13.5854 13.5854 16.2457 16.2457 17.3770 17.3770 k = 0.1818-0.2761-0.1690 ( 3364 PWs) bands (ev): -41.5115 -41.5115 -13.5972 -13.5972 -13.4305 -13.4305 -13.3721 -13.3721 -9.1860 -9.1860 -8.5831 -8.5831 -3.5805 -3.5805 -3.4261 -3.4261 -1.5667 -1.5667 -1.3846 -1.3846 -1.2171 -1.2171 2.3974 2.3974 5.6542 5.6542 6.0980 6.0980 6.4389 6.4389 6.8600 6.8600 7.0636 7.0636 9.1911 9.1911 13.6710 13.6710 16.1449 16.1449 17.3466 17.3466 k = 0.1909-0.2899-0.1774 ( 3360 PWs) bands (ev): -41.5113 -41.5113 -13.5973 -13.5973 -13.4317 -13.4317 -13.3735 -13.3735 -9.1671 -9.1671 -8.5881 -8.5881 -3.5780 -3.5780 -3.4153 -3.4153 -1.5619 -1.5619 -1.3746 -1.3746 -1.2125 -1.2125 2.3990 2.3990 5.6083 5.6083 6.0401 6.0401 6.4188 6.4188 6.8515 6.8515 7.0593 7.0593 9.2676 9.2676 13.7563 13.7563 16.0391 16.0391 17.3245 17.3245 k = 0.2000-0.3037-0.1859 ( 3354 PWs) bands (ev): -41.5111 -41.5111 -13.5974 -13.5974 -13.4329 -13.4329 -13.3749 -13.3749 -9.1479 -9.1479 -8.5930 -8.5930 -3.5757 -3.5757 -3.4042 -3.4042 -1.5577 -1.5577 -1.3640 -1.3640 -1.2073 -1.2073 2.4011 2.4011 5.5635 5.5635 5.9817 5.9817 6.3981 6.3981 6.8432 6.8432 7.0554 7.0554 9.3425 9.3425 13.8403 13.8403 15.9306 15.9306 17.3098 17.3098 k = 0.2091-0.3175-0.1943 ( 3351 PWs) bands (ev): -41.5110 -41.5110 -13.5975 -13.5975 -13.4342 -13.4342 -13.3762 -13.3762 -9.1284 -9.1284 -8.5979 -8.5979 -3.5736 -3.5736 -3.3929 -3.3929 -1.5541 -1.5541 -1.3530 -1.3530 -1.2015 -1.2015 2.4037 2.4037 5.5193 5.5193 5.9234 5.9234 6.3768 6.3768 6.8353 6.8353 7.0517 7.0517 9.4156 9.4156 13.9219 13.9219 15.8218 15.8218 17.3013 17.3013 k = 0.2182-0.3313-0.2028 ( 3355 PWs) bands (ev): -41.5108 -41.5108 -13.5978 -13.5978 -13.4355 -13.4355 -13.3775 -13.3775 -9.1087 -9.1087 -8.6026 -8.6026 -3.5717 -3.5717 -3.3814 -3.3814 -1.5511 -1.5511 -1.3417 -1.3417 -1.1950 -1.1950 2.4068 2.4068 5.4752 5.4752 5.8660 5.8660 6.3548 6.3548 6.8274 6.8274 7.0482 7.0482 9.4868 9.4868 13.9996 13.9996 15.7152 15.7152 17.2984 17.2984 k = 0.2273-0.3451-0.2112 ( 3353 PWs) bands (ev): -41.5106 -41.5106 -13.5981 -13.5981 -13.4368 -13.4368 -13.3787 -13.3787 -9.0889 -9.0889 -8.6072 -8.6072 -3.5699 -3.5699 -3.3697 -3.3697 -1.5487 -1.5487 -1.3302 -1.3302 -1.1877 -1.1877 2.4106 2.4106 5.4308 5.4308 5.8104 5.8104 6.3324 6.3324 6.8195 6.8195 7.0451 7.0451 9.5560 9.5560 14.0717 14.0717 15.6136 15.6136 17.3003 17.3003 k = 0.2364-0.3589-0.2197 ( 3347 PWs) bands (ev): -41.5104 -41.5104 -13.5985 -13.5985 -13.4381 -13.4381 -13.3799 -13.3799 -9.0691 -9.0691 -8.6116 -8.6116 -3.5683 -3.5683 -3.3578 -3.3578 -1.5467 -1.5467 -1.3186 -1.3186 -1.1796 -1.1796 2.4150 2.4150 5.3854 5.3854 5.7573 5.7573 6.3095 6.3095 6.8116 6.8116 7.0422 7.0422 9.6230 9.6230 14.1355 14.1355 15.5201 15.5201 17.3065 17.3065 k = 0.2455-0.3728-0.2281 ( 3348 PWs) bands (ev): -41.5102 -41.5102 -13.5989 -13.5989 -13.4393 -13.4393 -13.3810 -13.3810 -9.0493 -9.0493 -8.6157 -8.6157 -3.5670 -3.5670 -3.3460 -3.3460 -1.5452 -1.5452 -1.3072 -1.3072 -1.1705 -1.1705 2.4203 2.4203 5.3383 5.3383 5.7074 5.7074 6.2862 6.2862 6.8035 6.8035 7.0396 7.0396 9.6877 9.6877 14.1880 14.1880 15.4386 15.4386 17.3167 17.3167 k = 0.2545-0.3866-0.2366 ( 3346 PWs) bands (ev): -41.5101 -41.5101 -13.5995 -13.5995 -13.4406 -13.4406 -13.3820 -13.3820 -9.0297 -9.0297 -8.6195 -8.6195 -3.5658 -3.5658 -3.3341 -3.3341 -1.5440 -1.5440 -1.2961 -1.2961 -1.1606 -1.1606 2.4263 2.4263 5.2891 5.2891 5.6615 5.6615 6.2626 6.2626 6.7953 6.7953 7.0372 7.0372 9.7501 9.7501 14.2254 14.2254 15.3732 15.3732 17.3304 17.3304 k = 0.2636-0.4004-0.2450 ( 3344 PWs) bands (ev): -41.5099 -41.5099 -13.6001 -13.6001 -13.4418 -13.4418 -13.3830 -13.3830 -9.0103 -9.0103 -8.6231 -8.6231 -3.5647 -3.5647 -3.3224 -3.3224 -1.5432 -1.5432 -1.2855 -1.2855 -1.1497 -1.1497 2.4333 2.4333 5.2374 5.2374 5.6200 5.6200 6.2388 6.2388 6.7868 6.7868 7.0351 7.0351 9.8101 9.8101 14.2438 14.2438 15.3281 15.3281 17.3473 17.3473 k = 0.2727-0.4142-0.2534 ( 3351 PWs) bands (ev): -41.5097 -41.5097 -13.6008 -13.6008 -13.4431 -13.4431 -13.3839 -13.3839 -8.9913 -8.9913 -8.6262 -8.6262 -3.5638 -3.5638 -3.3107 -3.3107 -1.5427 -1.5427 -1.2755 -1.2755 -1.1378 -1.1378 2.4412 2.4412 5.1831 5.1831 5.5829 5.5829 6.2150 6.2150 6.7782 6.7782 7.0332 7.0332 9.8675 9.8675 14.2408 14.2408 15.3058 15.3058 17.3671 17.3671 k = 0.2818-0.4280-0.2619 ( 3347 PWs) bands (ev): -41.5095 -41.5095 -13.6015 -13.6015 -13.4442 -13.4442 -13.3848 -13.3848 -8.9727 -8.9727 -8.6290 -8.6290 -3.5631 -3.5631 -3.2992 -3.2992 -1.5423 -1.5423 -1.2660 -1.2660 -1.1251 -1.1251 2.4501 2.4501 5.1265 5.1265 5.5502 5.5502 6.1911 6.1911 6.7693 6.7693 7.0316 7.0316 9.9223 9.9223 14.2164 14.2164 15.3066 15.3066 17.3897 17.3897 k = 0.2909-0.4418-0.2703 ( 3351 PWs) bands (ev): -41.5093 -41.5093 -13.6023 -13.6023 -13.4454 -13.4454 -13.3856 -13.3856 -8.9546 -8.9546 -8.6312 -8.6312 -3.5625 -3.5625 -3.2879 -3.2879 -1.5422 -1.5422 -1.2572 -1.2572 -1.1116 -1.1116 2.4601 2.4601 5.0678 5.0678 5.5215 5.5215 6.1673 6.1673 6.7603 6.7603 7.0301 7.0301 9.9745 9.9745 14.1735 14.1735 15.3278 15.3278 17.4147 17.4147 k = 0.3000-0.4556-0.2788 ( 3353 PWs) bands (ev): -41.5092 -41.5092 -13.6032 -13.6032 -13.4464 -13.4464 -13.3864 -13.3864 -8.9372 -8.9372 -8.6330 -8.6330 -3.5620 -3.5620 -3.2768 -3.2768 -1.5422 -1.5422 -1.2490 -1.2490 -1.0975 -1.0975 2.4711 2.4711 5.0076 5.0076 5.4965 5.4965 6.1438 6.1438 6.7511 6.7511 7.0289 7.0289 10.0241 10.0241 14.1166 14.1166 15.3648 15.3648 17.4419 17.4419 k = 0.3091-0.4694-0.2872 ( 3349 PWs) bands (ev): -41.5090 -41.5090 -13.6040 -13.6040 -13.4474 -13.4474 -13.3870 -13.3870 -8.9205 -8.9205 -8.6342 -8.6342 -3.5617 -3.5617 -3.2660 -3.2660 -1.5423 -1.5423 -1.2414 -1.2414 -1.0828 -1.0828 2.4832 2.4832 4.9464 4.9464 5.4745 5.4745 6.1205 6.1205 6.7418 6.7418 7.0278 7.0278 10.0710 10.0710 14.0500 14.0500 15.4133 15.4133 17.4709 17.4709 k = 0.3182-0.4832-0.2957 ( 3350 PWs) bands (ev): -41.5088 -41.5088 -13.6050 -13.6050 -13.4484 -13.4484 -13.3877 -13.3877 -8.9047 -8.9047 -8.6349 -8.6349 -3.5615 -3.5615 -3.2555 -3.2555 -1.5425 -1.5425 -1.2344 -1.2344 -1.0677 -1.0677 2.4964 2.4964 4.8845 4.8845 5.4552 5.4552 6.0976 6.0976 6.7324 6.7324 7.0269 7.0269 10.1153 10.1153 13.9777 13.9777 15.4694 15.4694 17.5016 17.5016 k = 0.3273-0.4970-0.3041 ( 3346 PWs) bands (ev): -41.5087 -41.5087 -13.6060 -13.6060 -13.4493 -13.4493 -13.3882 -13.3882 -8.8899 -8.8899 -8.6348 -8.6348 -3.5614 -3.5614 -3.2454 -3.2454 -1.5427 -1.5427 -1.2279 -1.2279 -1.0523 -1.0523 2.5106 2.5106 4.8226 4.8226 5.4382 5.4382 6.0752 6.0752 6.7230 6.7230 7.0261 7.0261 10.1569 10.1569 13.9026 13.9026 15.5302 15.5302 17.5334 17.5334 k = 0.3364-0.5108-0.3126 ( 3350 PWs) bands (ev): -41.5085 -41.5085 -13.6070 -13.6070 -13.4502 -13.4502 -13.3887 -13.3887 -8.8761 -8.8761 -8.6341 -8.6341 -3.5614 -3.5614 -3.2356 -3.2356 -1.5429 -1.5429 -1.2219 -1.2219 -1.0369 -1.0369 2.5259 2.5259 4.7609 4.7609 5.4230 5.4230 6.0534 6.0534 6.7136 6.7136 7.0254 7.0254 10.1959 10.1959 13.8267 13.8267 15.5934 15.5934 17.5661 17.5661 k = 0.3455-0.5246-0.3210 ( 3352 PWs) bands (ev): -41.5083 -41.5083 -13.6080 -13.6080 -13.4509 -13.4509 -13.3892 -13.3892 -8.8634 -8.8634 -8.6327 -8.6327 -3.5615 -3.5615 -3.2263 -3.2263 -1.5432 -1.5432 -1.2164 -1.2164 -1.0214 -1.0214 2.5422 2.5422 4.6998 4.6998 5.4094 5.4094 6.0322 6.0322 6.7043 6.7043 7.0249 7.0249 10.2323 10.2323 13.7516 13.7516 15.6576 15.6576 17.5992 17.5992 k = 0.3545-0.5384-0.3295 ( 3354 PWs) bands (ev): -41.5082 -41.5082 -13.6091 -13.6091 -13.4517 -13.4517 -13.3896 -13.3896 -8.8519 -8.8519 -8.6306 -8.6306 -3.5617 -3.5617 -3.2174 -3.2174 -1.5434 -1.5434 -1.2113 -1.2113 -1.0061 -1.0061 2.5593 2.5593 4.6397 4.6397 5.3972 5.3972 6.0118 6.0118 6.6951 6.6951 7.0244 7.0244 10.2661 10.2661 13.6784 13.6784 15.7216 15.7216 17.6323 17.6323 k = 0.3636-0.5522-0.3379 ( 3356 PWs) bands (ev): -41.5081 -41.5081 -13.6101 -13.6101 -13.4524 -13.4524 -13.3900 -13.3900 -8.8416 -8.8416 -8.6278 -8.6278 -3.5620 -3.5620 -3.2090 -3.2090 -1.5436 -1.5436 -1.2066 -1.2066 -0.9911 -0.9911 2.5773 2.5773 4.5809 4.5809 5.3861 5.3861 5.9922 5.9922 6.6862 6.6862 7.0241 7.0241 10.2975 10.2975 13.6079 13.6079 15.7844 15.7844 17.6648 17.6648 k = 0.3727-0.5660-0.3464 ( 3355 PWs) bands (ev): -41.5079 -41.5079 -13.6112 -13.6112 -13.4530 -13.4530 -13.3903 -13.3903 -8.8325 -8.8325 -8.6244 -8.6244 -3.5623 -3.5623 -3.2010 -3.2010 -1.5438 -1.5438 -1.2023 -1.2023 -0.9765 -0.9765 2.5960 2.5960 4.5236 4.5236 5.3759 5.3759 5.9736 5.9736 6.6777 6.6777 7.0238 7.0238 10.3263 10.3263 13.5406 13.5406 15.8453 15.8453 17.6964 17.6964 k = 0.3818-0.5798-0.3548 ( 3352 PWs) bands (ev): -41.5078 -41.5078 -13.6122 -13.6122 -13.4535 -13.4535 -13.3906 -13.3906 -8.8246 -8.8246 -8.6204 -8.6204 -3.5627 -3.5627 -3.1936 -3.1936 -1.5439 -1.5439 -1.1983 -1.1983 -0.9624 -0.9624 2.6152 2.6152 4.4682 4.4682 5.3665 5.3665 5.9559 5.9559 6.6694 6.6694 7.0236 7.0236 10.3528 10.3528 13.4770 13.4770 15.9039 15.9039 17.7264 17.7264 k = 0.3909-0.5936-0.3633 ( 3350 PWs) bands (ev): -41.5077 -41.5077 -13.6131 -13.6131 -13.4540 -13.4540 -13.3909 -13.3909 -8.8178 -8.8178 -8.6160 -8.6160 -3.5631 -3.5631 -3.1866 -3.1866 -1.5440 -1.5440 -1.1946 -1.1946 -0.9489 -0.9489 2.6347 2.6347 4.4150 4.4150 5.3578 5.3578 5.9393 5.9393 6.6616 6.6616 7.0234 7.0234 10.3770 10.3770 13.4174 13.4174 15.9596 15.9596 17.7546 17.7546 k = 0.4000-0.6074-0.3717 ( 3346 PWs) bands (ev): -41.5076 -41.5076 -13.6140 -13.6140 -13.4545 -13.4545 -13.3911 -13.3911 -8.8120 -8.8120 -8.6112 -8.6112 -3.5635 -3.5635 -3.1802 -3.1802 -1.5441 -1.5441 -1.1913 -1.1913 -0.9361 -0.9361 2.6544 2.6544 4.3641 4.3641 5.3498 5.3498 5.9238 5.9238 6.6543 6.6543 7.0234 7.0234 10.3989 10.3989 13.3621 13.3621 16.0120 16.0120 17.7807 17.7807 k = 0.4091-0.6213-0.3802 ( 3351 PWs) bands (ev): -41.5075 -41.5075 -13.6150 -13.6150 -13.4549 -13.4549 -13.3913 -13.3913 -8.8072 -8.8072 -8.6063 -8.6063 -3.5639 -3.5639 -3.1743 -3.1743 -1.5441 -1.5441 -1.1883 -1.1883 -0.9241 -0.9241 2.6740 2.6740 4.3159 4.3159 5.3424 5.3424 5.9094 5.9094 6.6475 6.6475 7.0233 7.0233 10.4185 10.4185 13.3113 13.3113 16.0609 16.0609 17.8043 17.8043 k = 0.4182-0.6351-0.3886 ( 3351 PWs) bands (ev): -41.5074 -41.5074 -13.6158 -13.6158 -13.4553 -13.4553 -13.3915 -13.3915 -8.8032 -8.8032 -8.6014 -8.6014 -3.5644 -3.5644 -3.1690 -3.1690 -1.5441 -1.5441 -1.1856 -1.1856 -0.9130 -0.9130 2.6933 2.6933 4.2708 4.2708 5.3356 5.3356 5.8963 5.8963 6.6412 6.6412 7.0233 7.0233 10.4361 10.4361 13.2651 13.2651 16.1059 16.1059 17.8253 17.8253 k = 0.4273-0.6489-0.3971 ( 3349 PWs) bands (ev): -41.5073 -41.5073 -13.6166 -13.6166 -13.4556 -13.4556 -13.3916 -13.3916 -8.7999 -8.7999 -8.5966 -8.5966 -3.5648 -3.5648 -3.1642 -3.1642 -1.5440 -1.5440 -1.1832 -1.1832 -0.9028 -0.9028 2.7119 2.7119 4.2290 4.2290 5.3293 5.3293 5.8844 5.8844 6.6356 6.6356 7.0233 7.0233 10.4516 10.4516 13.2235 13.2235 16.1468 16.1468 17.8439 17.8439 k = 0.4364-0.6627-0.4055 ( 3348 PWs) bands (ev): -41.5072 -41.5072 -13.6173 -13.6173 -13.4559 -13.4559 -13.3917 -13.3917 -8.7972 -8.7972 -8.5921 -8.5921 -3.5652 -3.5652 -3.1600 -3.1600 -1.5440 -1.5440 -1.1810 -1.1810 -0.8937 -0.8937 2.7295 2.7295 4.1909 4.1909 5.3237 5.3237 5.8738 5.8738 6.6306 6.6306 7.0233 7.0233 10.4651 10.4651 13.1867 13.1867 16.1834 16.1834 17.8600 17.8600 k = 0.4455-0.6765-0.4140 ( 3345 PWs) bands (ev): -41.5071 -41.5071 -13.6179 -13.6179 -13.4561 -13.4561 -13.3918 -13.3918 -8.7950 -8.7950 -8.5879 -8.5879 -3.5655 -3.5655 -3.1563 -3.1563 -1.5439 -1.5439 -1.1792 -1.1792 -0.8856 -0.8856 2.7458 2.7458 4.1569 4.1569 5.3187 5.3187 5.8646 5.8646 6.6262 6.6262 7.0233 7.0233 10.4767 10.4767 13.1548 13.1548 16.2155 16.2155 17.8738 17.8738 k = 0.4545-0.6903-0.4224 ( 3345 PWs) bands (ev): -41.5071 -41.5071 -13.6184 -13.6184 -13.4563 -13.4563 -13.3919 -13.3919 -8.7933 -8.7933 -8.5842 -8.5842 -3.5659 -3.5659 -3.1532 -3.1532 -1.5438 -1.5438 -1.1777 -1.1777 -0.8787 -0.8787 2.7604 2.7604 4.1273 4.1273 5.3144 5.3144 5.8567 5.8567 6.6225 6.6225 7.0233 7.0233 10.4864 10.4864 13.1277 13.1277 16.2429 16.2429 17.8854 17.8854 k = 0.4636-0.7041-0.4309 ( 3347 PWs) bands (ev): -41.5070 -41.5070 -13.6188 -13.6188 -13.4565 -13.4565 -13.3920 -13.3920 -8.7920 -8.7920 -8.5811 -8.5811 -3.5661 -3.5661 -3.1507 -3.1507 -1.5438 -1.5438 -1.1764 -1.1764 -0.8730 -0.8730 2.7730 2.7730 4.1025 4.1025 5.3108 5.3108 5.8503 5.8503 6.6194 6.6194 7.0234 7.0234 10.4942 10.4942 13.1055 13.1055 16.2655 16.2655 17.8948 17.8948 k = 0.4727-0.7179-0.4393 ( 3349 PWs) bands (ev): -41.5070 -41.5070 -13.6192 -13.6192 -13.4566 -13.4566 -13.3920 -13.3920 -8.7911 -8.7911 -8.5786 -8.5786 -3.5664 -3.5664 -3.1487 -3.1487 -1.5437 -1.5437 -1.1754 -1.1754 -0.8685 -0.8685 2.7832 2.7832 4.0827 4.0827 5.3079 5.3079 5.8452 5.8452 6.6171 6.6171 7.0234 7.0234 10.5003 10.5003 13.0882 13.0882 16.2833 16.2833 17.9022 17.9022 k = 0.4818-0.7317-0.4478 ( 3351 PWs) bands (ev): -41.5070 -41.5070 -13.6195 -13.6195 -13.4567 -13.4567 -13.3921 -13.3921 -8.7904 -8.7904 -8.5768 -8.5768 -3.5665 -3.5665 -3.1473 -3.1473 -1.5437 -1.5437 -1.1747 -1.1747 -0.8652 -0.8652 2.7907 2.7907 4.0684 4.0684 5.3059 5.3059 5.8416 5.8416 6.6154 6.6154 7.0234 7.0234 10.5046 10.5046 13.0759 13.0759 16.2960 16.2960 17.9075 17.9075 k = 0.4909-0.7455-0.4562 ( 3348 PWs) bands (ev): -41.5070 -41.5070 -13.6196 -13.6196 -13.4568 -13.4568 -13.3921 -13.3921 -8.7900 -8.7900 -8.5757 -8.5757 -3.5666 -3.5666 -3.1465 -3.1465 -1.5436 -1.5436 -1.1743 -1.1743 -0.8633 -0.8633 2.7953 2.7953 4.0597 4.0597 5.3046 5.3046 5.8394 5.8394 6.6143 6.6143 7.0234 7.0234 10.5072 10.5072 13.0685 13.0685 16.3036 16.3036 17.9107 17.9107 k = 0.5000-0.7593-0.4647 ( 3346 PWs) bands (ev): -41.5069 -41.5069 -13.6196 -13.6196 -13.4567 -13.4567 -13.3921 -13.3921 -8.7899 -8.7899 -8.5753 -8.5753 -3.5666 -3.5666 -3.1462 -3.1462 -1.5436 -1.5436 -1.1742 -1.1742 -0.8626 -0.8626 2.7969 2.7969 4.0568 4.0568 5.3042 5.3042 5.8387 5.8387 6.6140 6.6140 7.0234 7.0234 10.5080 10.5080 13.0660 13.0660 16.3062 16.3062 17.9118 17.9118 k = 0.5000-0.7593-0.4647 ( 3346 PWs) bands (ev): -41.5069 -41.5069 -13.6196 -13.6196 -13.4567 -13.4567 -13.3921 -13.3921 -8.7899 -8.7899 -8.5753 -8.5753 -3.5666 -3.5666 -3.1462 -3.1462 -1.5436 -1.5436 -1.1742 -1.1742 -0.8626 -0.8626 2.7969 2.7969 4.0568 4.0568 5.3042 5.3042 5.8387 5.8387 6.6140 6.6140 7.0234 7.0234 10.5080 10.5080 13.0660 13.0660 16.3062 16.3062 17.9118 17.9118 k = 0.5000-0.7498-0.4801 ( 3342 PWs) bands (ev): -41.5069 -41.5069 -13.6196 -13.6196 -13.4567 -13.4567 -13.3921 -13.3921 -8.7897 -8.7897 -8.5754 -8.5754 -3.5662 -3.5662 -3.1463 -3.1463 -1.5432 -1.5432 -1.1743 -1.1743 -0.8629 -0.8629 2.7967 2.7967 4.0580 4.0580 5.3041 5.3041 5.8368 5.8368 6.6147 6.6147 7.0219 7.0219 10.5090 10.5090 13.0681 13.0681 16.3064 16.3064 17.9123 17.9123 k = 0.5000-0.7404-0.4956 ( 3344 PWs) bands (ev): -41.5069 -41.5069 -13.6195 -13.6195 -13.4567 -13.4567 -13.3923 -13.3923 -8.7890 -8.7890 -8.5756 -8.5756 -3.5650 -3.5650 -3.1468 -3.1468 -1.5418 -1.5418 -1.1748 -1.1748 -0.8639 -0.8639 2.7961 2.7961 4.0615 4.0615 5.3039 5.3039 5.8313 5.8313 6.6167 6.6167 7.0174 7.0174 10.5118 10.5118 13.0741 13.0741 16.3068 16.3068 17.9135 17.9135 k = 0.5000-0.7309-0.5110 ( 3348 PWs) bands (ev): -41.5069 -41.5069 -13.6195 -13.6195 -13.4566 -13.4566 -13.3927 -13.3927 -8.7879 -8.7879 -8.5761 -8.5761 -3.5631 -3.5631 -3.1477 -3.1477 -1.5396 -1.5396 -1.1755 -1.1755 -0.8655 -0.8655 2.7951 2.7951 4.0674 4.0674 5.3035 5.3035 5.8222 5.8222 6.6199 6.6199 7.0099 7.0099 10.5165 10.5165 13.0841 13.0841 16.3075 16.3075 17.9148 17.9148 k = 0.5000-0.7215-0.5265 ( 3350 PWs) bands (ev): -41.5069 -41.5069 -13.6193 -13.6193 -13.4564 -13.4564 -13.3932 -13.3932 -8.7864 -8.7864 -8.5767 -8.5767 -3.5603 -3.5603 -3.1488 -3.1488 -1.5364 -1.5364 -1.1766 -1.1766 -0.8677 -0.8677 2.7938 2.7938 4.0756 4.0756 5.3029 5.3029 5.8098 5.8098 6.6243 6.6243 6.9995 6.9995 10.5230 10.5230 13.0980 13.0980 16.3083 16.3083 17.9138 17.9138 k = 0.5000-0.7120-0.5419 ( 3342 PWs) bands (ev): -41.5069 -41.5069 -13.6191 -13.6191 -13.4562 -13.4562 -13.3937 -13.3937 -8.7845 -8.7845 -8.5776 -8.5776 -3.5568 -3.5568 -3.1503 -3.1503 -1.5324 -1.5324 -1.1779 -1.1779 -0.8705 -0.8705 2.7921 2.7921 4.0862 4.0862 5.3020 5.3020 5.7942 5.7942 6.6297 6.6297 6.9867 6.9867 10.5311 10.5311 13.1156 13.1156 16.3090 16.3090 17.9032 17.9032 k = 0.5000-0.7026-0.5574 ( 3340 PWs) bands (ev): -41.5069 -41.5069 -13.6188 -13.6188 -13.4559 -13.4559 -13.3944 -13.3944 -8.7822 -8.7822 -8.5786 -8.5786 -3.5525 -3.5525 -3.1521 -3.1521 -1.5275 -1.5275 -1.1795 -1.1795 -0.8740 -0.8740 2.7900 2.7900 4.0990 4.0990 5.3007 5.3007 5.7757 5.7757 6.6359 6.6359 6.9714 6.9714 10.5409 10.5409 13.1368 13.1368 16.3094 16.3094 17.8614 17.8614 k = 0.5000-0.6931-0.5728 ( 3340 PWs) bands (ev): -41.5069 -41.5069 -13.6185 -13.6185 -13.4556 -13.4556 -13.3953 -13.3953 -8.7794 -8.7794 -8.5797 -8.5797 -3.5476 -3.5476 -3.1543 -3.1543 -1.5218 -1.5218 -1.1814 -1.1814 -0.8780 -0.8780 2.7876 2.7876 4.1139 4.1139 5.2988 5.2988 5.7546 5.7546 6.6428 6.6428 6.9540 6.9540 10.5521 10.5521 13.1614 13.1614 16.3090 16.3090 17.7756 17.7756 k = 0.5000-0.6837-0.5883 ( 3342 PWs) bands (ev): -41.5068 -41.5068 -13.6182 -13.6182 -13.4553 -13.4553 -13.3963 -13.3963 -8.7763 -8.7763 -8.5811 -8.5811 -3.5419 -3.5419 -3.1567 -3.1567 -1.5153 -1.5153 -1.1835 -1.1835 -0.8825 -0.8825 2.7849 2.7849 4.1311 4.1311 5.2962 5.2962 5.7311 5.7311 6.6502 6.6502 6.9347 6.9347 10.5646 10.5646 13.1891 13.1891 16.3074 16.3074 17.6678 17.6678 k = 0.5000-0.6742-0.6037 ( 3344 PWs) bands (ev): -41.5068 -41.5068 -13.6179 -13.6179 -13.4549 -13.4549 -13.3974 -13.3974 -8.7728 -8.7728 -8.5826 -8.5826 -3.5356 -3.5356 -3.1595 -3.1595 -1.5080 -1.5080 -1.1858 -1.1858 -0.8876 -0.8876 2.7819 2.7819 4.1503 4.1503 5.2927 5.2927 5.7057 5.7057 6.6580 6.6580 6.9141 6.9141 10.5782 10.5782 13.2198 13.2198 16.3039 16.3039 17.5531 17.5531 k = 0.5000-0.6647-0.6192 ( 3348 PWs) bands (ev): -41.5068 -41.5068 -13.6175 -13.6175 -13.4545 -13.4545 -13.3986 -13.3986 -8.7690 -8.7690 -8.5843 -8.5843 -3.5287 -3.5287 -3.1627 -3.1627 -1.4999 -1.4999 -1.1884 -1.1884 -0.8932 -0.8932 2.7787 2.7787 4.1716 4.1716 5.2882 5.2882 5.6786 5.6786 6.6661 6.6661 6.8924 6.8924 10.5928 10.5928 13.2532 13.2532 16.2976 16.2976 17.4373 17.4373 k = 0.5000-0.6553-0.6347 ( 3350 PWs) bands (ev): -41.5068 -41.5068 -13.6172 -13.6172 -13.4541 -13.4541 -13.4000 -13.4000 -8.7648 -8.7648 -8.5861 -8.5861 -3.5211 -3.5211 -3.1661 -3.1661 -1.4911 -1.4911 -1.1911 -1.1911 -0.8993 -0.8993 2.7752 2.7752 4.1948 4.1948 5.2826 5.2826 5.6502 5.6502 6.6742 6.6742 6.8701 6.8701 10.6081 10.6081 13.2889 13.2889 16.2872 16.2872 17.3239 17.3239 k = 0.5000-0.6458-0.6501 ( 3350 PWs) bands (ev): -41.5067 -41.5067 -13.6167 -13.6167 -13.4536 -13.4536 -13.4013 -13.4013 -8.7603 -8.7603 -8.5881 -8.5881 -3.5130 -3.5130 -3.1699 -3.1699 -1.4815 -1.4815 -1.1940 -1.1940 -0.9058 -0.9058 2.7716 2.7716 4.2198 4.2198 5.2755 5.2755 5.6206 5.6206 6.6823 6.6823 6.8475 6.8475 10.6239 10.6239 13.3269 13.3269 16.2711 16.2711 17.2157 17.2157 k = 0.5000-0.6364-0.6656 ( 3352 PWs) bands (ev): -41.5067 -41.5067 -13.6163 -13.6163 -13.4531 -13.4531 -13.4028 -13.4028 -8.7556 -8.7556 -8.5903 -8.5903 -3.5044 -3.5044 -3.1740 -3.1740 -1.4714 -1.4714 -1.1971 -1.1971 -0.9127 -0.9127 2.7677 2.7677 4.2466 4.2466 5.2668 5.2668 5.5903 5.5903 6.6903 6.6903 6.8252 6.8252 10.6402 10.6402 13.3666 13.3666 16.2473 16.2473 17.1156 17.1156 k = 0.5000-0.6269-0.6810 ( 3352 PWs) bands (ev): -41.5067 -41.5067 -13.6159 -13.6159 -13.4525 -13.4525 -13.4043 -13.4043 -8.7505 -8.7505 -8.5925 -8.5925 -3.4953 -3.4953 -3.1785 -3.1785 -1.4606 -1.4606 -1.2002 -1.2002 -0.9200 -0.9200 2.7638 2.7638 4.2751 4.2751 5.2564 5.2564 5.5594 5.5594 6.6980 6.6980 6.8037 6.8037 10.6566 10.6566 13.4080 13.4080 16.2134 16.2134 17.0266 17.0266 k = 0.5000-0.6175-0.6965 ( 3350 PWs) bands (ev): -41.5066 -41.5066 -13.6154 -13.6154 -13.4519 -13.4519 -13.4058 -13.4058 -8.7453 -8.7453 -8.5950 -8.5950 -3.4858 -3.4858 -3.1832 -3.1832 -1.4493 -1.4493 -1.2034 -1.2034 -0.9276 -0.9276 2.7597 2.7597 4.3050 4.3050 5.2442 5.2442 5.5281 5.5281 6.7051 6.7051 6.7834 6.7834 10.6729 10.6729 13.4507 13.4507 16.1674 16.1674 16.9511 16.9511 k = 0.5000-0.6080-0.7119 ( 3350 PWs) bands (ev): -41.5066 -41.5066 -13.6150 -13.6150 -13.4512 -13.4512 -13.4075 -13.4075 -8.7398 -8.7398 -8.5975 -8.5975 -3.4759 -3.4759 -3.1882 -3.1882 -1.4375 -1.4375 -1.2067 -1.2067 -0.9355 -0.9355 2.7556 2.7556 4.3363 4.3363 5.2301 5.2301 5.4967 5.4967 6.7111 6.7111 6.7653 6.7653 10.6890 10.6890 13.4943 13.4943 16.1084 16.1084 16.8906 16.8906 k = 0.5000-0.5985-0.7274 ( 3352 PWs) bands (ev): -41.5065 -41.5065 -13.6145 -13.6145 -13.4506 -13.4506 -13.4091 -13.4091 -8.7342 -8.7342 -8.6002 -8.6002 -3.4657 -3.4657 -3.1936 -3.1936 -1.4253 -1.4253 -1.2100 -1.2100 -0.9436 -0.9436 2.7514 2.7514 4.3687 4.3687 5.2141 5.2141 5.4653 5.4653 6.7143 6.7143 6.7514 6.7514 10.7047 10.7047 13.5387 13.5387 16.0370 16.0370 16.8449 16.8449 k = 0.5000-0.5891-0.7428 ( 3352 PWs) bands (ev): -41.5065 -41.5065 -13.6141 -13.6141 -13.4499 -13.4499 -13.4108 -13.4108 -8.7284 -8.7284 -8.6030 -8.6030 -3.4552 -3.4552 -3.1993 -3.1993 -1.4128 -1.4128 -1.2133 -1.2133 -0.9519 -0.9519 2.7472 2.7472 4.4022 4.4022 5.1964 5.1964 5.4341 5.4341 6.7113 6.7113 6.7452 6.7452 10.7198 10.7198 13.5835 13.5835 15.9553 15.9553 16.8122 16.8122 k = 0.5000-0.5796-0.7583 ( 3346 PWs) bands (ev): -41.5065 -41.5065 -13.6137 -13.6137 -13.4491 -13.4491 -13.4124 -13.4124 -8.7226 -8.7226 -8.6059 -8.6059 -3.4445 -3.4445 -3.2052 -3.2052 -1.4000 -1.4000 -1.2166 -1.2166 -0.9603 -0.9603 2.7431 2.7431 4.4365 4.4365 5.1772 5.1772 5.4031 5.4031 6.7024 6.7024 6.7467 6.7467 10.7341 10.7341 13.6283 13.6283 15.8660 15.8660 16.7902 16.7902 k = 0.5000-0.5702-0.7737 ( 3350 PWs) bands (ev): -41.5064 -41.5064 -13.6133 -13.6133 -13.4484 -13.4484 -13.4141 -13.4141 -8.7166 -8.7166 -8.6090 -8.6090 -3.4336 -3.4336 -3.2114 -3.2114 -1.3872 -1.3872 -1.2197 -1.2197 -0.9688 -0.9688 2.7390 2.7390 4.4712 4.4712 5.1567 5.1567 5.3725 5.3725 6.6923 6.6923 6.7514 6.7514 10.7474 10.7474 13.6730 13.6730 15.7722 15.7722 16.7762 16.7762 k = 0.5000-0.5607-0.7892 ( 3342 PWs) bands (ev): -41.5064 -41.5064 -13.6129 -13.6129 -13.4476 -13.4476 -13.4157 -13.4157 -8.7107 -8.7107 -8.6121 -8.6121 -3.4226 -3.4226 -3.2179 -3.2179 -1.3743 -1.3743 -1.2227 -1.2227 -0.9773 -0.9773 2.7349 2.7349 4.5061 4.5061 5.1356 5.1356 5.3423 5.3423 6.6831 6.6831 6.7570 6.7570 10.7597 10.7597 13.7171 13.7171 15.6763 15.6763 16.7682 16.7682 k = 0.5000-0.5513-0.8046 ( 3342 PWs) bands (ev): -41.5063 -41.5063 -13.6125 -13.6125 -13.4468 -13.4468 -13.4173 -13.4173 -8.7047 -8.7047 -8.6153 -8.6153 -3.4116 -3.4116 -3.2246 -3.2246 -1.3616 -1.3616 -1.2255 -1.2255 -0.9857 -0.9857 2.7309 2.7309 4.5407 4.5407 5.1142 5.1142 5.3125 5.3125 6.6757 6.6757 6.7628 6.7628 10.7706 10.7706 13.7603 13.7603 15.5804 15.5804 16.7645 16.7645 k = 0.5000-0.5418-0.8201 ( 3338 PWs) bands (ev): -41.5063 -41.5063 -13.6122 -13.6122 -13.4460 -13.4460 -13.4188 -13.4188 -8.6988 -8.6988 -8.6185 -8.6185 -3.4006 -3.4006 -3.2315 -3.2315 -1.3492 -1.3492 -1.2281 -1.2281 -0.9941 -0.9941 2.7269 2.7269 4.5744 4.5744 5.0934 5.0934 5.2835 5.2835 6.6702 6.6702 6.7687 6.7687 10.7802 10.7802 13.8022 13.8022 15.4864 15.4864 16.7636 16.7636 k = 0.5000-0.5323-0.8356 ( 3344 PWs) bands (ev): -41.5063 -41.5063 -13.6119 -13.6119 -13.4453 -13.4453 -13.4203 -13.4203 -8.6930 -8.6930 -8.6218 -8.6218 -3.3897 -3.3897 -3.2387 -3.2387 -1.3374 -1.3374 -1.2303 -1.2303 -1.0022 -1.0022 2.7231 2.7231 4.6064 4.6064 5.0740 5.0740 5.2553 5.2553 6.6667 6.6667 6.7743 6.7743 10.7883 10.7883 13.8421 13.8421 15.3957 15.3957 16.7648 16.7648 k = 0.5000-0.5229-0.8510 ( 3344 PWs) bands (ev): -41.5062 -41.5062 -13.6117 -13.6117 -13.4445 -13.4445 -13.4217 -13.4217 -8.6873 -8.6873 -8.6252 -8.6252 -3.3789 -3.3789 -3.2461 -3.2461 -1.3264 -1.3264 -1.2320 -1.2320 -1.0100 -1.0100 2.7192 2.7192 4.6357 4.6357 5.0570 5.0570 5.2284 5.2284 6.6650 6.6650 6.7798 6.7798 10.7948 10.7948 13.8797 13.8797 15.3097 15.3097 16.7671 16.7671 k = 0.5000-0.5134-0.8665 ( 3344 PWs) bands (ev): -41.5062 -41.5062 -13.6114 -13.6114 -13.4438 -13.4438 -13.4230 -13.4230 -8.6818 -8.6818 -8.6285 -8.6285 -3.3683 -3.3683 -3.2536 -3.2536 -1.3164 -1.3164 -1.2331 -1.2331 -1.0173 -1.0173 2.7154 2.7154 4.6609 4.6609 5.0437 5.0437 5.2033 5.2033 6.6650 6.6650 6.7851 6.7851 10.7996 10.7996 13.9143 13.9143 15.2297 15.2297 16.7699 16.7699 k = 0.5000-0.5040-0.8819 ( 3346 PWs) bands (ev): -41.5062 -41.5062 -13.6113 -13.6113 -13.4431 -13.4431 -13.4242 -13.4242 -8.6766 -8.6766 -8.6319 -8.6319 -3.3580 -3.3580 -3.2612 -3.2612 -1.3078 -1.3078 -1.2335 -1.2335 -1.0241 -1.0241 2.7115 2.7115 4.6804 4.6804 5.0352 5.0352 5.1807 5.1807 6.6666 6.6666 6.7902 6.7902 10.8027 10.8027 13.9451 13.9451 15.1569 15.1569 16.7730 16.7730 k = 0.5000-0.4945-0.8974 ( 3350 PWs) bands (ev): -41.5062 -41.5062 -13.6111 -13.6111 -13.4425 -13.4425 -13.4252 -13.4252 -8.6717 -8.6717 -8.6352 -8.6352 -3.3481 -3.3481 -3.2689 -3.2689 -1.3009 -1.3009 -1.2331 -1.2331 -1.0301 -1.0301 2.7075 2.7075 4.6930 4.6930 5.0316 5.0316 5.1621 5.1621 6.6695 6.6695 6.7951 6.7951 10.8039 10.8039 13.9712 13.9712 15.0926 15.0926 16.7757 16.7757 k = 0.5000-0.4851-0.9128 ( 3350 PWs) bands (ev): -41.5062 -41.5062 -13.6110 -13.6110 -13.4420 -13.4420 -13.4261 -13.4261 -8.6673 -8.6673 -8.6383 -8.6383 -3.3388 -3.3388 -3.2764 -3.2764 -1.2959 -1.2959 -1.2319 -1.2319 -1.0352 -1.0352 2.7035 2.7035 4.6980 4.6980 5.0317 5.0317 5.1499 5.1499 6.6735 6.6735 6.7998 6.7998 10.8033 10.8033 13.9919 13.9919 15.0379 15.0379 16.7778 16.7778 k = 0.5000-0.4756-0.9283 ( 3358 PWs) bands (ev): -41.5062 -41.5062 -13.6110 -13.6110 -13.4416 -13.4416 -13.4267 -13.4267 -8.6635 -8.6635 -8.6411 -8.6411 -3.3303 -3.3303 -3.2836 -3.2836 -1.2926 -1.2926 -1.2302 -1.2302 -1.0393 -1.0393 2.6992 2.6992 4.6960 4.6960 5.0317 5.0317 5.1476 5.1476 6.6784 6.6784 6.8043 6.8043 10.8008 10.8008 14.0065 14.0065 14.9938 14.9938 16.7790 16.7790 k = 0.5000-0.4661-0.9437 ( 3358 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4413 -13.4413 -13.4271 -13.4271 -8.6608 -8.6608 -8.6432 -8.6432 -3.3234 -3.3234 -3.2896 -3.2896 -1.2908 -1.2908 -1.2285 -1.2285 -1.0422 -1.0422 2.6947 2.6947 4.6882 4.6882 5.0282 5.0282 5.1578 5.1578 6.6840 6.6840 6.8085 6.8085 10.7964 10.7964 14.0143 14.0143 14.9612 14.9612 16.7790 16.7790 k = 0.5000-0.4567-0.9592 ( 3354 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4412 -13.4412 -13.4273 -13.4273 -8.6597 -8.6597 -8.6441 -8.6441 -3.3199 -3.3199 -3.2927 -3.2927 -1.2903 -1.2903 -1.2271 -1.2271 -1.0437 -1.0437 2.6898 2.6898 4.6764 4.6764 5.0213 5.0213 5.1791 5.1791 6.6900 6.6900 6.8126 6.8126 10.7902 10.7902 14.0154 14.0154 14.9403 14.9403 16.7776 16.7776 k = 0.5000-0.4472-0.9746 ( 3354 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4412 -13.4412 -13.4272 -13.4272 -8.6606 -8.6606 -8.6435 -8.6435 -3.3217 -3.3217 -3.2910 -3.2910 -1.2907 -1.2907 -1.2266 -1.2266 -1.0439 -1.0439 2.6845 2.6845 4.6621 4.6621 5.0128 5.0128 5.2083 5.2083 6.6963 6.6963 6.8165 6.8165 10.7821 10.7821 14.0102 14.0102 14.9306 14.9306 16.7745 16.7745 k = 0.5000-0.4378-0.9901 ( 3356 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4414 -13.4414 -13.4268 -13.4268 -8.6628 -8.6628 -8.6419 -8.6419 -3.3273 -3.3273 -3.2861 -3.2861 -1.2918 -1.2918 -1.2271 -1.2271 -1.0428 -1.0428 2.6787 2.6787 4.6464 4.6464 5.0049 5.0049 5.2425 5.2425 6.7025 6.7025 6.8202 6.8202 10.7722 10.7722 13.9998 13.9998 14.9315 14.9315 16.7696 16.7696 k = 0.5000-0.4283-1.0056 ( 3352 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4417 -13.4417 -13.4263 -13.4263 -8.6656 -8.6656 -8.6402 -8.6402 -3.3346 -3.3346 -3.2800 -3.2800 -1.2934 -1.2934 -1.2289 -1.2289 -1.0405 -1.0405 2.6724 2.6724 4.6303 4.6303 4.9986 4.9986 5.2799 5.2799 6.7087 6.7087 6.8239 6.8239 10.7606 10.7606 13.9855 13.9855 14.9414 14.9414 16.7626 16.7626 k = 0.5000-0.4189-1.0210 ( 3352 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4421 -13.4421 -13.4256 -13.4256 -8.6688 -8.6688 -8.6387 -8.6387 -3.3425 -3.3425 -3.2738 -3.2738 -1.2954 -1.2954 -1.2317 -1.2317 -1.0373 -1.0373 2.6653 2.6653 4.6146 4.6146 4.9946 4.9946 5.3194 5.3194 6.7145 6.7145 6.8273 6.8273 10.7473 10.7473 13.9687 13.9687 14.9591 14.9591 16.7536 16.7536 k = 0.8128-0.3251-0.8376 ( 3352 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4421 -13.4421 -13.4256 -13.4256 -8.6688 -8.6688 -8.6387 -8.6387 -3.3425 -3.3425 -3.2738 -3.2738 -1.2954 -1.2954 -1.2317 -1.2317 -1.0373 -1.0373 2.6653 2.6653 4.6146 4.6146 4.9946 4.9946 5.3194 5.3194 6.7145 6.7145 6.8273 6.8273 10.7473 10.7473 13.9687 13.9687 14.9591 14.9591 16.7536 16.7536 k = 0.8075-0.3171-0.8219 ( 3354 PWs) bands (ev): -41.5062 -41.5062 -13.6110 -13.6110 -13.4425 -13.4425 -13.4248 -13.4248 -8.6722 -8.6722 -8.6375 -8.6375 -3.3508 -3.3508 -3.2678 -3.2678 -1.2977 -1.2977 -1.2357 -1.2357 -1.0333 -1.0333 2.6574 2.6574 4.5995 4.5995 4.9935 4.9935 5.3609 5.3609 6.7199 6.7199 6.8307 6.8307 10.7321 10.7321 13.9507 13.9507 14.9835 14.9835 16.7420 16.7420 k = 0.8022-0.3090-0.8061 ( 3362 PWs) bands (ev): -41.5063 -41.5063 -13.6110 -13.6110 -13.4430 -13.4430 -13.4238 -13.4238 -8.6757 -8.6757 -8.6368 -8.6368 -3.3593 -3.3593 -3.2622 -3.2622 -1.3002 -1.3002 -1.2407 -1.2407 -1.0289 -1.0289 2.6486 2.6486 4.5858 4.5858 4.9954 4.9954 5.4031 5.4031 6.7246 6.7246 6.8340 6.8340 10.7154 10.7154 13.9330 13.9330 15.0130 15.0130 16.7280 16.7280 k = 0.7969-0.3010-0.7904 ( 3358 PWs) bands (ev): -41.5063 -41.5063 -13.6110 -13.6110 -13.4434 -13.4434 -13.4228 -13.4228 -8.6792 -8.6792 -8.6366 -8.6366 -3.3679 -3.3679 -3.2571 -3.2571 -1.3029 -1.3029 -1.2463 -1.2463 -1.0243 -1.0243 2.6390 2.6390 4.5739 4.5739 5.0007 5.0007 5.4457 5.4457 6.7284 6.7284 6.8372 6.8372 10.6974 10.6974 13.9168 13.9168 15.0462 15.0462 16.7118 16.7118 k = 0.7916-0.2929-0.7746 ( 3358 PWs) bands (ev): -41.5063 -41.5063 -13.6110 -13.6110 -13.4438 -13.4438 -13.4217 -13.4217 -8.6827 -8.6827 -8.6371 -8.6371 -3.3764 -3.3764 -3.2525 -3.2525 -1.3059 -1.3059 -1.2526 -1.2526 -1.0197 -1.0197 2.6286 2.6286 4.5641 4.5641 5.0095 5.0095 5.4883 5.4883 6.7314 6.7314 6.8403 6.8403 10.6780 10.6780 13.9029 13.9029 15.0822 15.0822 16.6933 16.6933 k = 0.7863-0.2849-0.7589 ( 3356 PWs) bands (ev): -41.5064 -41.5064 -13.6110 -13.6110 -13.4443 -13.4443 -13.4205 -13.4205 -8.6862 -8.6862 -8.6382 -8.6382 -3.3848 -3.3848 -3.2486 -3.2486 -1.3089 -1.3089 -1.2593 -1.2593 -1.0153 -1.0153 2.6172 2.6172 4.5567 4.5567 5.0217 5.0217 5.5307 5.5307 6.7333 6.7333 6.8434 6.8434 10.6575 10.6575 13.8919 13.8919 15.1199 15.1199 16.6728 16.6728 k = 0.7810-0.2768-0.7431 ( 3352 PWs) bands (ev): -41.5065 -41.5065 -13.6109 -13.6109 -13.4446 -13.4446 -13.4193 -13.4193 -8.6897 -8.6897 -8.6399 -8.6399 -3.3931 -3.3931 -3.2452 -3.2452 -1.3121 -1.3121 -1.2663 -1.2663 -1.0113 -1.0113 2.6050 2.6050 4.5518 4.5518 5.0373 5.0373 5.5727 5.5727 6.7341 6.7341 6.8465 6.8465 10.6360 10.6360 13.8844 13.8844 15.1584 15.1584 16.6506 16.6506 k = 0.7757-0.2688-0.7274 ( 3356 PWs) bands (ev): -41.5065 -41.5065 -13.6108 -13.6108 -13.4450 -13.4450 -13.4181 -13.4181 -8.6931 -8.6931 -8.6424 -8.6424 -3.4014 -3.4014 -3.2425 -3.2425 -1.3156 -1.3156 -1.2736 -1.2736 -1.0078 -1.0078 2.5920 2.5920 4.5497 4.5497 5.0563 5.0563 5.6141 5.6141 6.7336 6.7336 6.8496 6.8496 10.6135 10.6135 13.8807 13.8807 15.1968 15.1968 16.6273 16.6273 k = 0.7704-0.2607-0.7116 ( 3356 PWs) bands (ev): -41.5066 -41.5066 -13.6107 -13.6107 -13.4453 -13.4453 -13.4168 -13.4168 -8.6965 -8.6965 -8.6455 -8.6455 -3.4095 -3.4095 -3.2405 -3.2405 -1.3191 -1.3191 -1.2810 -1.2810 -1.0049 -1.0049 2.5783 2.5783 4.5505 4.5505 5.0785 5.0785 5.6547 5.6547 6.7319 6.7319 6.8527 6.8527 10.5904 10.5904 13.8812 13.8812 15.2341 15.2341 16.6036 16.6036 k = 0.7651-0.2527-0.6959 ( 3356 PWs) bands (ev): -41.5067 -41.5067 -13.6105 -13.6105 -13.4456 -13.4456 -13.4155 -13.4155 -8.6998 -8.6998 -8.6494 -8.6494 -3.4174 -3.4174 -3.2390 -3.2390 -1.3229 -1.3229 -1.2884 -1.2884 -1.0028 -1.0028 2.5639 2.5639 4.5544 4.5544 5.1039 5.1039 5.6945 5.6945 6.7289 6.7289 6.8559 6.8559 10.5665 10.5665 13.8858 13.8858 15.2694 15.2694 16.5804 16.5804 k = 0.7598-0.2446-0.6801 ( 3352 PWs) bands (ev): -41.5068 -41.5068 -13.6103 -13.6103 -13.4459 -13.4459 -13.4142 -13.4142 -8.7031 -8.7031 -8.6539 -8.6539 -3.4252 -3.4252 -3.2383 -3.2383 -1.3269 -1.3269 -1.2958 -1.2958 -1.0014 -1.0014 2.5490 2.5490 4.5614 4.5614 5.1321 5.1321 5.7332 5.7332 6.7246 6.7246 6.8592 6.8592 10.5421 10.5421 13.8947 13.8947 15.3015 15.3015 16.5587 16.5587 k = 0.7544-0.2366-0.6644 ( 3346 PWs) bands (ev): -41.5069 -41.5069 -13.6100 -13.6100 -13.4461 -13.4461 -13.4129 -13.4129 -8.7064 -8.7064 -8.6592 -8.6592 -3.4327 -3.4327 -3.2381 -3.2381 -1.3311 -1.3311 -1.3031 -1.3031 -1.0008 -1.0008 2.5337 2.5337 4.5716 4.5716 5.1632 5.1632 5.7708 5.7708 6.7189 6.7189 6.8626 6.8626 10.5174 10.5174 13.9080 13.9080 15.3291 15.3291 16.5400 16.5400 k = 0.7491-0.2285-0.6486 ( 3342 PWs) bands (ev): -41.5070 -41.5070 -13.6097 -13.6097 -13.4462 -13.4462 -13.4115 -13.4115 -8.7096 -8.7096 -8.6652 -8.6652 -3.4401 -3.4401 -3.2386 -3.2386 -1.3357 -1.3357 -1.3100 -1.3100 -1.0011 -1.0011 2.5181 2.5181 4.5852 4.5852 5.1967 5.1967 5.8072 5.8072 6.7119 6.7119 6.8663 6.8663 10.4922 10.4922 13.9256 13.9256 15.3509 15.3509 16.5257 16.5257 k = 0.7438-0.2205-0.6329 ( 3338 PWs) bands (ev): -41.5071 -41.5071 -13.6093 -13.6093 -13.4463 -13.4463 -13.4101 -13.4101 -8.7128 -8.7128 -8.6718 -8.6718 -3.4473 -3.4473 -3.2397 -3.2397 -1.3408 -1.3408 -1.3166 -1.3166 -1.0023 -1.0023 2.5024 2.5024 4.6020 4.6020 5.2325 5.2325 5.8422 5.8422 6.7036 6.7036 6.8701 6.8701 10.4668 10.4668 13.9473 13.9473 15.3657 15.3657 16.5172 16.5172 k = 0.7385-0.2124-0.6171 ( 3340 PWs) bands (ev): -41.5072 -41.5072 -13.6089 -13.6089 -13.4465 -13.4465 -13.4088 -13.4088 -8.7159 -8.7159 -8.6791 -8.6791 -3.4543 -3.4543 -3.2415 -3.2415 -1.3465 -1.3465 -1.3226 -1.3226 -1.0044 -1.0044 2.4867 2.4867 4.6222 4.6222 5.2703 5.2703 5.8757 5.8757 6.6941 6.6941 6.8742 6.8742 10.4412 10.4412 13.9731 13.9731 15.3723 15.3723 16.5161 16.5161 k = 0.7332-0.2044-0.6014 ( 3344 PWs) bands (ev): -41.5073 -41.5073 -13.6085 -13.6085 -13.4465 -13.4465 -13.4075 -13.4075 -8.7191 -8.7191 -8.6870 -8.6870 -3.4611 -3.4611 -3.2440 -3.2440 -1.3528 -1.3528 -1.3281 -1.3281 -1.0074 -1.0074 2.4713 2.4713 4.6458 4.6458 5.3099 5.3099 5.9077 5.9077 6.6835 6.6835 6.8787 6.8787 10.4154 10.4154 14.0025 14.0025 15.3700 15.3700 16.5234 16.5234 k = 0.7279-0.1963-0.5856 ( 3338 PWs) bands (ev): -41.5074 -41.5074 -13.6080 -13.6080 -13.4465 -13.4465 -13.4061 -13.4061 -8.7224 -8.7224 -8.6954 -8.6954 -3.4676 -3.4676 -3.2470 -3.2470 -1.3596 -1.3596 -1.3328 -1.3328 -1.0112 -1.0112 2.4562 2.4562 4.6727 4.6727 5.3509 5.3509 5.9379 5.9379 6.6719 6.6719 6.8835 6.8835 10.3895 10.3895 14.0353 14.0353 15.3588 15.3588 16.5397 16.5397 k = 0.7226-0.1883-0.5699 ( 3338 PWs) bands (ev): -41.5076 -41.5076 -13.6074 -13.6074 -13.4465 -13.4465 -13.4047 -13.4047 -8.7259 -8.7259 -8.7041 -8.7041 -3.4739 -3.4739 -3.2506 -3.2506 -1.3670 -1.3670 -1.3371 -1.3371 -1.0160 -1.0160 2.4416 2.4416 4.7028 4.7028 5.3931 5.3931 5.9663 5.9663 6.6594 6.6594 6.8887 6.8887 10.3634 10.3634 14.0710 14.0710 15.3392 15.3392 16.5651 16.5651 k = 0.7173-0.1802-0.5541 ( 3332 PWs) bands (ev): -41.5077 -41.5077 -13.6068 -13.6068 -13.4464 -13.4464 -13.4033 -13.4033 -8.7301 -8.7301 -8.7127 -8.7127 -3.4801 -3.4801 -3.2548 -3.2548 -1.3746 -1.3746 -1.3409 -1.3409 -1.0215 -1.0215 2.4277 2.4277 4.7362 4.7362 5.4363 5.4363 5.9927 5.9927 6.6462 6.6462 6.8944 6.8944 10.3374 10.3374 14.1086 14.1086 15.3125 15.3125 16.5992 16.5992 k = 0.7120-0.1722-0.5383 ( 3334 PWs) bands (ev): -41.5079 -41.5079 -13.6063 -13.6063 -13.4463 -13.4463 -13.4019 -13.4019 -8.7359 -8.7359 -8.7203 -8.7203 -3.4860 -3.4860 -3.2596 -3.2596 -1.3826 -1.3826 -1.3443 -1.3443 -1.0280 -1.0280 2.4146 2.4146 4.7728 4.7728 5.4800 5.4800 6.0170 6.0170 6.6325 6.6325 6.9006 6.9006 10.3112 10.3112 14.1472 14.1472 15.2808 15.2808 16.6412 16.6412 k = 0.7067-0.1641-0.5226 ( 3338 PWs) bands (ev): -41.5080 -41.5080 -13.6057 -13.6057 -13.4461 -13.4461 -13.4006 -13.4006 -8.7440 -8.7440 -8.7260 -8.7260 -3.4917 -3.4917 -3.2649 -3.2649 -1.3908 -1.3908 -1.3475 -1.3475 -1.0352 -1.0352 2.4024 2.4024 4.8124 4.8124 5.5242 5.5242 6.0390 6.0390 6.6187 6.6187 6.9072 6.9072 10.2849 10.2849 14.1851 14.1851 15.2465 15.2465 16.6902 16.6902 k = 0.7014-0.1561-0.5068 ( 3334 PWs) bands (ev): -41.5082 -41.5082 -13.6051 -13.6051 -13.4458 -13.4458 -13.3992 -13.3992 -8.7542 -8.7542 -8.7301 -8.7301 -3.4972 -3.4972 -3.2708 -3.2708 -1.3991 -1.3991 -1.3503 -1.3503 -1.0431 -1.0431 2.3914 2.3914 4.8550 4.8550 5.5685 5.5685 6.0585 6.0585 6.6049 6.6049 6.9145 6.9145 10.2586 10.2586 14.2203 14.2203 15.2130 15.2130 16.7451 16.7451 k = 0.6961-0.1480-0.4911 ( 3336 PWs) bands (ev): -41.5083 -41.5083 -13.6045 -13.6045 -13.4456 -13.4456 -13.3978 -13.3978 -8.7656 -8.7656 -8.7334 -8.7334 -3.5025 -3.5025 -3.2771 -3.2771 -1.4076 -1.4076 -1.3529 -1.3529 -1.0518 -1.0518 2.3815 2.3815 4.9005 4.9005 5.6126 5.6126 6.0752 6.0752 6.5915 6.5915 6.9223 6.9223 10.2321 10.2321 14.2496 14.2496 15.1840 15.1840 16.8050 16.8050 k = 0.6908-0.1400-0.4753 ( 3344 PWs) bands (ev): -41.5085 -41.5085 -13.6039 -13.6039 -13.4452 -13.4452 -13.3965 -13.3965 -8.7779 -8.7779 -8.7362 -8.7362 -3.5077 -3.5077 -3.2840 -3.2840 -1.4161 -1.4161 -1.3553 -1.3553 -1.0611 -1.0611 2.3729 2.3729 4.9486 4.9486 5.6564 5.6564 6.0890 6.0890 6.5789 6.5789 6.9307 6.9307 10.2056 10.2056 14.2695 14.2695 15.1642 15.1642 16.8691 16.8691 k = 0.6855-0.1319-0.4596 ( 3340 PWs) bands (ev): -41.5087 -41.5087 -13.6033 -13.6033 -13.4448 -13.4448 -13.3951 -13.3951 -8.7908 -8.7908 -8.7388 -8.7388 -3.5127 -3.5127 -3.2913 -3.2913 -1.4247 -1.4247 -1.3574 -1.3574 -1.0708 -1.0708 2.3656 2.3656 4.9994 4.9994 5.6995 5.6995 6.0996 6.0996 6.5676 6.5676 6.9397 6.9397 10.1788 10.1788 14.2762 14.2762 15.1581 15.1581 16.9364 16.9364 k = 0.6802-0.1239-0.4438 ( 3340 PWs) bands (ev): -41.5089 -41.5089 -13.6027 -13.6027 -13.4443 -13.4443 -13.3936 -13.3936 -8.8041 -8.8041 -8.7413 -8.7413 -3.5175 -3.5175 -3.2990 -3.2990 -1.4332 -1.4332 -1.3594 -1.3594 -1.0811 -1.0811 2.3598 2.3598 5.0524 5.0524 5.7418 5.7418 6.1069 6.1069 6.5577 6.5577 6.9494 6.9494 10.1519 10.1519 14.2667 14.2667 15.1693 15.1693 17.0063 17.0063 k = 0.6749-0.1158-0.4281 ( 3342 PWs) bands (ev): -41.5091 -41.5091 -13.6022 -13.6022 -13.4438 -13.4438 -13.3922 -13.3922 -8.8178 -8.8178 -8.7436 -8.7436 -3.5221 -3.5221 -3.3071 -3.3071 -1.4419 -1.4419 -1.3613 -1.3613 -1.0917 -1.0917 2.3554 2.3554 5.1077 5.1077 5.7831 5.7831 6.1109 6.1109 6.5498 6.5498 6.9597 6.9597 10.1248 10.1248 14.2398 14.2398 15.1993 15.1993 17.0781 17.0781 k = 0.6696-0.1078-0.4123 ( 3344 PWs) bands (ev): -41.5092 -41.5092 -13.6017 -13.6017 -13.4432 -13.4432 -13.3908 -13.3908 -8.8319 -8.8319 -8.7458 -8.7458 -3.5267 -3.5267 -3.3155 -3.3155 -1.4505 -1.4505 -1.3631 -1.3631 -1.1026 -1.1026 2.3525 2.3525 5.1648 5.1648 5.8231 5.8231 6.1117 6.1117 6.5440 6.5440 6.9706 6.9706 10.0975 10.0975 14.1967 14.1967 15.2475 15.2475 17.1512 17.1512 k = 0.6643-0.0997-0.3966 ( 3348 PWs) bands (ev): -41.5094 -41.5094 -13.6012 -13.6012 -13.4425 -13.4425 -13.3894 -13.3894 -8.8462 -8.8462 -8.7480 -8.7480 -3.5311 -3.5311 -3.3243 -3.3243 -1.4591 -1.4591 -1.3647 -1.3647 -1.1137 -1.1137 2.3511 2.3511 5.2235 5.2235 5.8614 5.8614 6.1095 6.1095 6.5404 6.5404 6.9821 6.9821 10.0699 10.0699 14.1398 14.1398 15.3117 15.3117 17.2250 17.2250 k = 0.6590-0.0917-0.3808 ( 3350 PWs) bands (ev): -41.5096 -41.5096 -13.6008 -13.6008 -13.4418 -13.4418 -13.3879 -13.3879 -8.8606 -8.8606 -8.7501 -8.7501 -3.5354 -3.5354 -3.3333 -3.3333 -1.4677 -1.4677 -1.3664 -1.3664 -1.1248 -1.1248 2.3512 2.3512 5.2834 5.2834 5.8978 5.8978 6.1051 6.1051 6.5390 6.5390 6.9942 6.9942 10.0421 10.0421 14.0720 14.0720 15.3893 15.3893 17.2989 17.2989 k = 0.6537-0.0836-0.3651 ( 3346 PWs) bands (ev): -41.5098 -41.5098 -13.6004 -13.6004 -13.4410 -13.4410 -13.3865 -13.3865 -8.8753 -8.8753 -8.7521 -8.7521 -3.5395 -3.5395 -3.3425 -3.3425 -1.4763 -1.4763 -1.3680 -1.3680 -1.1359 -1.1359 2.3528 2.3528 5.3441 5.3441 5.9315 5.9315 6.0996 6.0996 6.5398 6.5398 7.0068 7.0068 10.0140 10.0140 13.9957 13.9957 15.4780 15.4780 17.3724 17.3724 k = 0.6484-0.0756-0.3493 ( 3348 PWs) bands (ev): -41.5100 -41.5100 -13.6001 -13.6001 -13.4401 -13.4401 -13.3850 -13.3850 -8.8900 -8.8900 -8.7540 -8.7540 -3.5436 -3.5436 -3.3519 -3.3519 -1.4849 -1.4849 -1.3696 -1.3696 -1.1468 -1.1468 2.3558 2.3558 5.4051 5.4051 5.9612 5.9612 6.0950 6.0950 6.5426 6.5426 7.0199 7.0199 9.9857 9.9857 13.9131 13.9131 15.5758 15.5758 17.4450 17.4450 k = 0.6431-0.0675-0.3336 ( 3344 PWs) bands (ev): -41.5102 -41.5102 -13.5999 -13.5999 -13.4392 -13.4392 -13.3835 -13.3835 -8.9047 -8.9047 -8.7559 -8.7559 -3.5476 -3.5476 -3.3614 -3.3614 -1.4935 -1.4935 -1.3713 -1.3713 -1.1574 -1.1574 2.3601 2.3601 5.4654 5.4654 5.9846 5.9846 6.0946 6.0946 6.5471 6.5471 7.0334 7.0334 9.9571 9.9571 13.8256 13.8256 15.6812 15.6812 17.5161 17.5161 k = 0.6378-0.0595-0.3178 ( 3342 PWs) bands (ev): -41.5104 -41.5104 -13.5997 -13.5997 -13.4382 -13.4382 -13.3820 -13.3820 -8.9194 -8.9194 -8.7578 -8.7578 -3.5516 -3.5516 -3.3709 -3.3709 -1.5020 -1.5020 -1.3732 -1.3732 -1.1677 -1.1677 2.3658 2.3658 5.5240 5.5240 5.9989 5.9989 6.1023 6.1023 6.5533 6.5533 7.0473 7.0473 9.9283 9.9283 13.7346 13.7346 15.7928 15.7928 17.5852 17.5852 k = 0.6325-0.0514-0.3021 ( 3338 PWs) bands (ev): -41.5105 -41.5105 -13.5996 -13.5996 -13.4372 -13.4372 -13.3804 -13.3804 -8.9341 -8.9341 -8.7596 -8.7596 -3.5555 -3.5555 -3.3805 -3.3805 -1.5106 -1.5106 -1.3752 -1.3752 -1.1774 -1.1774 2.3728 2.3728 5.5794 5.5794 6.0048 6.0048 6.1191 6.1191 6.5610 6.5610 7.0614 7.0614 9.8993 9.8993 13.6410 13.6410 15.9096 15.9096 17.6518 17.6518 k = 0.6272-0.0434-0.2863 ( 3338 PWs) bands (ev): -41.5107 -41.5107 -13.5995 -13.5995 -13.4362 -13.4362 -13.3789 -13.3789 -8.9486 -8.9486 -8.7613 -8.7613 -3.5594 -3.5594 -3.3901 -3.3901 -1.5191 -1.5191 -1.3774 -1.3774 -1.1865 -1.1865 2.3809 2.3809 5.6293 5.6293 6.0078 6.0078 6.1419 6.1419 6.5703 6.5703 7.0757 7.0757 9.8702 9.8702 13.5456 13.5456 16.0307 16.0307 17.7155 17.7155 k = 0.6219-0.0353-0.2706 ( 3338 PWs) bands (ev): -41.5109 -41.5109 -13.5995 -13.5995 -13.4352 -13.4352 -13.3773 -13.3773 -8.9630 -8.9630 -8.7630 -8.7630 -3.5633 -3.5633 -3.3995 -3.3995 -1.5276 -1.5276 -1.3799 -1.3799 -1.1948 -1.1948 2.3900 2.3900 5.6706 5.6706 6.0138 6.0138 6.1674 6.1674 6.5811 6.5811 7.0900 7.0900 9.8409 9.8409 13.4489 13.4489 16.1553 16.1553 17.7758 17.7758 k = 0.6166-0.0273-0.2548 ( 3336 PWs) bands (ev): -41.5111 -41.5111 -13.5996 -13.5996 -13.4341 -13.4341 -13.3758 -13.3758 -8.9771 -8.9771 -8.7647 -8.7647 -3.5671 -3.5671 -3.4088 -3.4088 -1.5362 -1.5362 -1.3826 -1.3826 -1.2025 -1.2025 2.4001 2.4001 5.7004 5.7004 6.0275 6.0275 6.1939 6.1939 6.5937 6.5937 7.1044 7.1044 9.8116 9.8116 13.3516 13.3516 16.2824 16.2824 17.8324 17.8324 k = 0.6113-0.0192-0.2391 ( 3338 PWs) bands (ev): -41.5113 -41.5113 -13.5997 -13.5997 -13.4331 -13.4331 -13.3742 -13.3742 -8.9910 -8.9910 -8.7663 -8.7663 -3.5710 -3.5710 -3.4179 -3.4179 -1.5446 -1.5446 -1.3856 -1.3856 -1.2093 -1.2093 2.4111 2.4111 5.7170 5.7170 6.0507 6.0507 6.2208 6.2208 6.6084 6.6084 7.1187 7.1187 9.7823 9.7823 13.2541 13.2541 16.4112 16.4112 17.8851 17.8851 k = 0.6060-0.0112-0.2233 ( 3336 PWs) bands (ev): -41.5114 -41.5114 -13.5999 -13.5999 -13.4320 -13.4320 -13.3727 -13.3727 -9.0046 -9.0046 -8.7678 -8.7678 -3.5749 -3.5749 -3.4268 -3.4268 -1.5530 -1.5530 -1.3888 -1.3888 -1.2152 -1.2152 2.4227 2.4227 5.7216 5.7216 6.0823 6.0823 6.2478 6.2478 6.6256 6.6256 7.1328 7.1328 9.7532 9.7532 13.1569 13.1569 16.5407 16.5407 17.9339 17.9339 k = 0.6007-0.0031-0.2076 ( 3340 PWs) bands (ev): -41.5116 -41.5116 -13.6001 -13.6001 -13.4310 -13.4310 -13.3711 -13.3711 -9.0178 -9.0178 -8.7694 -8.7694 -3.5788 -3.5788 -3.4354 -3.4354 -1.5614 -1.5614 -1.3922 -1.3922 -1.2204 -1.2204 2.4349 2.4349 5.7169 5.7169 6.1187 6.1187 6.2746 6.2746 6.6459 6.6459 7.1466 7.1466 9.7242 9.7242 13.0603 13.0603 16.6697 16.6697 17.9790 17.9790 k = 0.5954 0.0049-0.1918 ( 3340 PWs) bands (ev): -41.5118 -41.5118 -13.6004 -13.6004 -13.4299 -13.4299 -13.3696 -13.3696 -9.0306 -9.0306 -8.7708 -8.7708 -3.5827 -3.5827 -3.4436 -3.4436 -1.5697 -1.5697 -1.3958 -1.3958 -1.2247 -1.2247 2.4475 2.4475 5.7063 5.7063 6.1563 6.1563 6.3012 6.3012 6.6699 6.6699 7.1601 7.1601 9.6955 9.6955 12.9647 12.9647 16.7972 16.7972 18.0207 18.0207 k = 0.5901 0.0130-0.1761 ( 3336 PWs) bands (ev): -41.5119 -41.5119 -13.6007 -13.6007 -13.4289 -13.4289 -13.3680 -13.3680 -9.0429 -9.0429 -8.7722 -8.7722 -3.5867 -3.5867 -3.4514 -3.4514 -1.5778 -1.5778 -1.3995 -1.3995 -1.2283 -1.2283 2.4605 2.4605 5.6918 5.6918 6.1924 6.1924 6.3272 6.3272 6.6984 6.6984 7.1732 7.1732 9.6672 9.6672 12.8706 12.8706 16.9217 16.9217 18.0597 18.0597 k = 0.5848 0.0210-0.1603 ( 3338 PWs) bands (ev): -41.5121 -41.5121 -13.6010 -13.6010 -13.4280 -13.4280 -13.3665 -13.3665 -9.0548 -9.0548 -8.7735 -8.7735 -3.5906 -3.5906 -3.4589 -3.4589 -1.5858 -1.5858 -1.4033 -1.4033 -1.2312 -1.2312 2.4736 2.4736 5.6751 5.6751 6.2254 6.2254 6.3521 6.3521 6.7315 6.7315 7.1858 7.1858 9.6395 9.6395 12.7784 12.7784 17.0417 17.0417 18.0969 18.0969 k = 0.5795 0.0291-0.1446 ( 3342 PWs) bands (ev): -41.5122 -41.5122 -13.6014 -13.6014 -13.4270 -13.4270 -13.3650 -13.3650 -9.0662 -9.0662 -8.7748 -8.7748 -3.5946 -3.5946 -3.4658 -3.4658 -1.5936 -1.5936 -1.4071 -1.4071 -1.2335 -1.2335 2.4868 2.4868 5.6573 5.6573 6.2548 6.2548 6.3752 6.3752 6.7693 6.7693 7.1979 7.1979 9.6124 9.6124 12.6883 12.6883 17.1552 17.1552 18.1334 18.1334 k = 0.5742 0.0371-0.1288 ( 3344 PWs) bands (ev): -41.5123 -41.5123 -13.6017 -13.6017 -13.4262 -13.4262 -13.3635 -13.3635 -9.0770 -9.0770 -8.7760 -8.7760 -3.5985 -3.5985 -3.4723 -3.4723 -1.6012 -1.6012 -1.4108 -1.4108 -1.2352 -1.2352 2.4999 2.4999 5.6390 5.6390 6.2807 6.2807 6.3959 6.3959 6.8114 6.8114 7.2093 7.2093 9.5861 9.5861 12.6010 12.6010 17.2606 17.2606 18.1704 18.1704 k = 0.5689 0.0452-0.1131 ( 3346 PWs) bands (ev): -41.5125 -41.5125 -13.6021 -13.6021 -13.4254 -13.4254 -13.3621 -13.3621 -9.0872 -9.0872 -8.7772 -8.7772 -3.6024 -3.6024 -3.4783 -3.4783 -1.6085 -1.6085 -1.4144 -1.4144 -1.2365 -1.2365 2.5128 2.5128 5.6209 5.6209 6.3033 6.3033 6.4141 6.4141 6.8568 6.8568 7.2202 7.2202 9.5608 9.5608 12.5166 12.5166 17.3558 17.3558 18.2093 18.2093 k = 0.5636 0.0532-0.0973 ( 3344 PWs) bands (ev): -41.5126 -41.5126 -13.6025 -13.6025 -13.4246 -13.4246 -13.3607 -13.3607 -9.0968 -9.0968 -8.7782 -8.7782 -3.6062 -3.6062 -3.4838 -3.4838 -1.6155 -1.6155 -1.4178 -1.4178 -1.2374 -1.2374 2.5252 2.5252 5.6031 5.6031 6.3232 6.3232 6.4298 6.4298 6.9044 6.9044 7.2303 7.2303 9.5365 9.5365 12.4358 12.4358 17.4393 17.4393 18.2509 18.2509 k = 0.5583 0.0613-0.0816 ( 3342 PWs) bands (ev): -41.5127 -41.5127 -13.6029 -13.6029 -13.4238 -13.4238 -13.3594 -13.3594 -9.1057 -9.1057 -8.7792 -8.7792 -3.6099 -3.6099 -3.4888 -3.4888 -1.6220 -1.6220 -1.4210 -1.4210 -1.2380 -1.2380 2.5373 2.5373 5.5862 5.5862 6.3407 6.3407 6.4431 6.4431 6.9529 6.9529 7.2398 7.2398 9.5135 9.5135 12.3590 12.3590 17.5101 17.5101 18.2956 18.2956 k = 0.5530 0.0693-0.0658 ( 3336 PWs) bands (ev): -41.5128 -41.5128 -13.6032 -13.6032 -13.4231 -13.4231 -13.3582 -13.3582 -9.1140 -9.1140 -8.7802 -8.7802 -3.6135 -3.6135 -3.4933 -3.4933 -1.6282 -1.6282 -1.4240 -1.4240 -1.2383 -1.2383 2.5487 2.5487 5.5701 5.5701 6.3562 6.3562 6.4545 6.4545 7.0011 7.0011 7.2486 7.2486 9.4919 9.4919 12.2865 12.2865 17.5682 17.5682 18.3428 18.3428 k = 0.5477 0.0774-0.0501 ( 3336 PWs) bands (ev): -41.5129 -41.5129 -13.6035 -13.6035 -13.4225 -13.4225 -13.3571 -13.3571 -9.1215 -9.1215 -8.7810 -8.7810 -3.6169 -3.6169 -3.4973 -3.4973 -1.6339 -1.6339 -1.4267 -1.4267 -1.2385 -1.2385 2.5594 2.5594 5.5552 5.5552 6.3697 6.3697 6.4642 6.4642 7.0479 7.0479 7.2566 7.2566 9.4719 9.4719 12.2190 12.2190 17.6143 17.6143 18.3915 18.3915 k = 0.5424 0.0854-0.0343 ( 3338 PWs) bands (ev): -41.5130 -41.5130 -13.6039 -13.6039 -13.4220 -13.4220 -13.3560 -13.3560 -9.1283 -9.1283 -8.7818 -8.7818 -3.6201 -3.6201 -3.5009 -3.5009 -1.6392 -1.6392 -1.4292 -1.4292 -1.2385 -1.2385 2.5692 2.5692 5.5415 5.5415 6.3814 6.3814 6.4725 6.4725 7.0923 7.0923 7.2640 7.2640 9.4534 9.4534 12.1569 12.1569 17.6498 17.6498 18.4397 18.4397 k = 0.5371 0.0935-0.0186 ( 3330 PWs) bands (ev): -41.5131 -41.5131 -13.6041 -13.6041 -13.4215 -13.4215 -13.3550 -13.3550 -9.1344 -9.1344 -8.7825 -8.7825 -3.6229 -3.6229 -3.5039 -3.5039 -1.6439 -1.6439 -1.4314 -1.4314 -1.2383 -1.2383 2.5782 2.5782 5.5291 5.5291 6.3915 6.3915 6.4795 6.4795 7.1333 7.1333 7.2709 7.2709 9.4369 9.4369 12.1006 12.1006 17.6766 17.6766 18.4856 18.4856 k = 0.5318 0.1015-0.0028 ( 3330 PWs) bands (ev): -41.5131 -41.5131 -13.6044 -13.6044 -13.4210 -13.4210 -13.3542 -13.3542 -9.1397 -9.1397 -8.7831 -8.7831 -3.6255 -3.6255 -3.5066 -3.5066 -1.6480 -1.6480 -1.4333 -1.4333 -1.2382 -1.2382 2.5861 2.5861 5.5183 5.5183 6.4001 6.4001 6.4855 6.4855 7.1701 7.1701 7.2772 7.2772 9.4222 9.4222 12.0506 12.0506 17.6964 17.6964 18.5276 18.5276 k = 0.5265 0.1096 0.0129 ( 3328 PWs) bands (ev): -41.5132 -41.5132 -13.6046 -13.6046 -13.4207 -13.4207 -13.3535 -13.3535 -9.1442 -9.1442 -8.7836 -8.7836 -3.6278 -3.6278 -3.5088 -3.5088 -1.6515 -1.6515 -1.4349 -1.4349 -1.2380 -1.2380 2.5930 2.5930 5.5090 5.5090 6.4072 6.4072 6.4905 6.4905 7.2016 7.2016 7.2834 7.2834 9.4096 9.4096 12.0075 12.0075 17.7107 17.7107 18.5643 18.5643 k = 0.5212 0.1176 0.0287 ( 3324 PWs) bands (ev): -41.5132 -41.5132 -13.6048 -13.6048 -13.4204 -13.4204 -13.3528 -13.3528 -9.1479 -9.1479 -8.7840 -8.7840 -3.6297 -3.6297 -3.5105 -3.5105 -1.6545 -1.6545 -1.4362 -1.4362 -1.2378 -1.2378 2.5987 2.5987 5.5013 5.5013 6.4129 6.4129 6.4947 6.4947 7.2271 7.2271 7.2896 7.2896 9.3991 9.3991 11.9716 11.9716 17.7209 17.7209 18.5950 18.5950 k = 0.5159 0.1257 0.0444 ( 3322 PWs) bands (ev): -41.5133 -41.5133 -13.6050 -13.6050 -13.4201 -13.4201 -13.3524 -13.3524 -9.1508 -9.1508 -8.7843 -8.7843 -3.6312 -3.6312 -3.5119 -3.5119 -1.6568 -1.6568 -1.4373 -1.4373 -1.2376 -1.2376 2.6032 2.6032 5.4952 5.4952 6.4172 6.4172 6.4978 6.4978 7.2457 7.2457 7.2962 7.2962 9.3908 9.3908 11.9432 11.9432 17.7279 17.7279 18.6192 18.6192 k = 0.5106 0.1337 0.0602 ( 3320 PWs) bands (ev): -41.5133 -41.5133 -13.6051 -13.6051 -13.4200 -13.4200 -13.3520 -13.3520 -9.1528 -9.1528 -8.7846 -8.7846 -3.6323 -3.6323 -3.5129 -3.5129 -1.6584 -1.6584 -1.4380 -1.4380 -1.2375 -1.2375 2.6064 2.6064 5.4909 5.4909 6.4202 6.4202 6.5001 6.5001 7.2576 7.2576 7.3026 7.3026 9.3849 9.3849 11.9227 11.9227 17.7324 17.7324 18.6365 18.6365 k = 0.5053 0.1418 0.0759 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6051 -13.6051 -13.4198 -13.4198 -13.3518 -13.3518 -9.1541 -9.1541 -8.7847 -8.7847 -3.6329 -3.6329 -3.5135 -3.5135 -1.6594 -1.6594 -1.4384 -1.4384 -1.2374 -1.2374 2.6084 2.6084 5.4883 5.4883 6.4221 6.4221 6.5015 6.5015 7.2638 7.2638 7.3075 7.3075 9.3813 9.3813 11.9103 11.9103 17.7350 17.7350 18.6470 18.6470 k = 0.5000 0.1498 0.0917 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6052 -13.6052 -13.4198 -13.4198 -13.3517 -13.3517 -9.1545 -9.1545 -8.7848 -8.7848 -3.6331 -3.6331 -3.5136 -3.5136 -1.6597 -1.6597 -1.4386 -1.4386 -1.2374 -1.2374 2.6090 2.6090 5.4874 5.4874 6.4227 6.4227 6.5020 6.5020 7.2656 7.2656 7.3094 7.3094 9.3801 9.3801 11.9062 11.9062 17.7358 17.7358 18.6504 18.6504 k = 0.5000 0.1498 0.0917 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6052 -13.6052 -13.4198 -13.4198 -13.3517 -13.3517 -9.1545 -9.1545 -8.7848 -8.7848 -3.6331 -3.6331 -3.5136 -3.5136 -1.6597 -1.6597 -1.4386 -1.4386 -1.2374 -1.2374 2.6090 2.6090 5.4874 5.4874 6.4227 6.4227 6.5020 6.5020 7.2656 7.2656 7.3094 7.3094 9.3801 9.3801 11.9062 11.9062 17.7358 17.7358 18.6504 18.6504 k = 0.4828 0.1447 0.0885 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6051 -13.6051 -13.4198 -13.4198 -13.3517 -13.3517 -9.1557 -9.1557 -8.7835 -8.7835 -3.6331 -3.6331 -3.5137 -3.5137 -1.6598 -1.6598 -1.4387 -1.4387 -1.2374 -1.2374 2.6083 2.6083 5.4899 5.4899 6.4230 6.4230 6.5023 6.5023 7.2653 7.2653 7.3090 7.3090 9.3761 9.3761 11.9088 11.9088 17.7321 17.7321 18.6474 18.6474 k = 0.4655 0.1395 0.0854 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6051 -13.6051 -13.4198 -13.4198 -13.3517 -13.3517 -9.1593 -9.1593 -8.7797 -8.7797 -3.6331 -3.6331 -3.5138 -3.5138 -1.6599 -1.6599 -1.4389 -1.4389 -1.2374 -1.2374 2.6061 2.6061 5.4973 5.4973 6.4241 6.4241 6.5034 6.5034 7.2642 7.2642 7.3079 7.3079 9.3642 9.3642 11.9165 11.9165 17.7212 17.7212 18.6388 18.6388 k = 0.4483 0.1343 0.0822 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6050 -13.6050 -13.4197 -13.4197 -13.3517 -13.3517 -9.1651 -9.1651 -8.7736 -8.7736 -3.6331 -3.6331 -3.5140 -3.5140 -1.6600 -1.6600 -1.4393 -1.4393 -1.2375 -1.2375 2.6024 2.6024 5.5096 5.5096 6.4259 6.4259 6.5051 6.5051 7.2625 7.2625 7.3061 7.3061 9.3446 9.3446 11.9292 11.9292 17.7033 17.7033 18.6256 18.6256 k = 0.4310 0.1292 0.0790 ( 3324 PWs) bands (ev): -41.5133 -41.5133 -13.6049 -13.6049 -13.4197 -13.4197 -13.3518 -13.3518 -9.1728 -9.1728 -8.7654 -8.7654 -3.6332 -3.6332 -3.5144 -3.5144 -1.6602 -1.6602 -1.4398 -1.4398 -1.2376 -1.2376 2.5974 2.5974 5.5267 5.5267 6.4283 6.4283 6.5075 6.5075 7.2600 7.2600 7.3035 7.3035 9.3175 9.3175 11.9465 11.9465 17.6789 17.6789 18.6093 18.6093 k = 0.4138 0.1240 0.0759 ( 3312 PWs) bands (ev): -41.5133 -41.5133 -13.6047 -13.6047 -13.4196 -13.4196 -13.3517 -13.3517 -9.1822 -9.1822 -8.7555 -8.7555 -3.6332 -3.6332 -3.5147 -3.5147 -1.6604 -1.6604 -1.4404 -1.4404 -1.2376 -1.2376 2.5910 2.5910 5.5486 5.5486 6.4315 6.4315 6.5106 6.5106 7.2570 7.2570 7.3003 7.3003 9.2835 9.2835 11.9680 11.9680 17.6485 17.6485 18.5915 18.5915 k = 0.3966 0.1188 0.0727 ( 3330 PWs) bands (ev): -41.5133 -41.5133 -13.6047 -13.6047 -13.4196 -13.4196 -13.3517 -13.3517 -9.1928 -9.1928 -8.7441 -8.7441 -3.6332 -3.6332 -3.5153 -3.5153 -1.6607 -1.6607 -1.4413 -1.4413 -1.2377 -1.2377 2.5835 2.5835 5.5748 5.5748 6.4353 6.4353 6.5143 6.5143 7.2532 7.2532 7.2964 7.2964 9.2430 9.2430 11.9932 11.9932 17.6127 17.6127 18.5731 18.5731 k = 0.3793 0.1137 0.0696 ( 3330 PWs) bands (ev): -41.5133 -41.5133 -13.6044 -13.6044 -13.4195 -13.4195 -13.3517 -13.3517 -9.2045 -9.2045 -8.7316 -8.7316 -3.6333 -3.6333 -3.5158 -3.5158 -1.6610 -1.6610 -1.4422 -1.4422 -1.2378 -1.2378 2.5750 2.5750 5.6055 5.6055 6.4397 6.4397 6.5186 6.5186 7.2489 7.2489 7.2919 7.2919 9.1966 9.1966 12.0216 12.0216 17.5725 17.5725 18.5552 18.5552 k = 0.3621 0.1085 0.0664 ( 3345 PWs) bands (ev): -41.5133 -41.5133 -13.6043 -13.6043 -13.4195 -13.4195 -13.3518 -13.3518 -9.2169 -9.2169 -8.7183 -8.7183 -3.6334 -3.6334 -3.5165 -3.5165 -1.6614 -1.6614 -1.4433 -1.4433 -1.2380 -1.2380 2.5655 2.5655 5.6402 5.6402 6.4448 6.4448 6.5234 6.5234 7.2439 7.2439 7.2867 7.2867 9.1449 9.1449 12.0526 12.0526 17.5287 17.5287 18.5383 18.5383 k = 0.3448 0.1033 0.0632 ( 3357 PWs) bands (ev): -41.5133 -41.5133 -13.6041 -13.6041 -13.4194 -13.4194 -13.3518 -13.3518 -9.2298 -9.2298 -8.7045 -8.7045 -3.6334 -3.6334 -3.5172 -3.5172 -1.6618 -1.6618 -1.4445 -1.4445 -1.2381 -1.2381 2.5553 2.5553 5.6789 5.6789 6.4504 6.4504 6.5289 6.5289 7.2383 7.2383 7.2810 7.2810 9.0884 9.0884 12.0856 12.0856 17.4822 17.4822 18.5226 18.5226 k = 0.3276 0.0982 0.0601 ( 3357 PWs) bands (ev): -41.5133 -41.5133 -13.6038 -13.6038 -13.4193 -13.4193 -13.3518 -13.3518 -9.2430 -9.2430 -8.6903 -8.6903 -3.6335 -3.6335 -3.5179 -3.5179 -1.6622 -1.6622 -1.4457 -1.4457 -1.2382 -1.2382 2.5445 2.5445 5.7212 5.7212 6.4565 6.4565 6.5349 6.5349 7.2323 7.2323 7.2747 7.2747 9.0277 9.0277 12.1201 12.1201 17.4338 17.4338 18.5082 18.5082 k = 0.3103 0.0930 0.0569 ( 3354 PWs) bands (ev): -41.5133 -41.5133 -13.6035 -13.6035 -13.4191 -13.4191 -13.3518 -13.3518 -9.2562 -9.2562 -8.6759 -8.6759 -3.6335 -3.6335 -3.5186 -3.5186 -1.6627 -1.6627 -1.4469 -1.4469 -1.2384 -1.2384 2.5333 2.5333 5.7670 5.7670 6.4632 6.4632 6.5413 6.5413 7.2258 7.2258 7.2680 7.2680 8.9635 8.9635 12.1557 12.1557 17.3843 17.3843 18.4952 18.4952 k = 0.2931 0.0878 0.0538 ( 3372 PWs) bands (ev): -41.5134 -41.5134 -13.6033 -13.6033 -13.4191 -13.4191 -13.3519 -13.3519 -9.2694 -9.2694 -8.6615 -8.6615 -3.6336 -3.6336 -3.5195 -3.5195 -1.6632 -1.6632 -1.4483 -1.4483 -1.2385 -1.2385 2.5217 2.5217 5.8157 5.8157 6.4702 6.4702 6.5481 6.5481 7.2188 7.2188 7.2609 7.2609 8.8961 8.8961 12.1917 12.1917 17.3345 17.3345 18.4835 18.4835 k = 0.2759 0.0827 0.0506 ( 3366 PWs) bands (ev): -41.5134 -41.5134 -13.6029 -13.6029 -13.4189 -13.4189 -13.3519 -13.3519 -9.2823 -9.2823 -8.6474 -8.6474 -3.6336 -3.6336 -3.5203 -3.5203 -1.6637 -1.6637 -1.4497 -1.4497 -1.2386 -1.2386 2.5100 2.5100 5.8673 5.8673 6.4777 6.4777 6.5554 6.5554 7.2115 7.2115 7.2534 7.2534 8.8262 8.8262 12.2278 12.2278 17.2850 17.2850 18.4729 18.4729 k = 0.2586 0.0775 0.0474 ( 3372 PWs) bands (ev): -41.5134 -41.5134 -13.6026 -13.6026 -13.4188 -13.4188 -13.3519 -13.3519 -9.2950 -9.2950 -8.6335 -8.6335 -3.6337 -3.6337 -3.5212 -3.5212 -1.6642 -1.6642 -1.4511 -1.4511 -1.2388 -1.2388 2.4983 2.4983 5.9212 5.9212 6.4855 6.4855 6.5629 6.5629 7.2039 7.2039 7.2457 7.2457 8.7542 8.7542 12.2635 12.2635 17.2364 17.2364 18.4634 18.4634 k = 0.2414 0.0723 0.0443 ( 3369 PWs) bands (ev): -41.5134 -41.5134 -13.6023 -13.6023 -13.4186 -13.4186 -13.3519 -13.3519 -9.3072 -9.3072 -8.6200 -8.6200 -3.6337 -3.6337 -3.5220 -3.5220 -1.6647 -1.6647 -1.4525 -1.4525 -1.2389 -1.2389 2.4868 2.4868 5.9773 5.9773 6.4936 6.4936 6.5706 6.5706 7.1961 7.1961 7.2378 7.2378 8.6808 8.6808 12.2984 12.2984 17.1892 17.1892 18.4548 18.4548 k = 0.2241 0.0672 0.0411 ( 3363 PWs) bands (ev): -41.5134 -41.5134 -13.6019 -13.6019 -13.4184 -13.4184 -13.3518 -13.3518 -9.3189 -9.3189 -8.6071 -8.6071 -3.6338 -3.6338 -3.5229 -3.5229 -1.6653 -1.6653 -1.4538 -1.4538 -1.2390 -1.2390 2.4755 2.4755 6.0351 6.0351 6.5020 6.5020 6.5785 6.5785 7.1882 7.1882 7.2297 7.2297 8.6063 8.6063 12.3323 12.3323 17.1437 17.1437 18.4471 18.4471 k = 0.2069 0.0620 0.0379 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.6016 -13.6016 -13.4183 -13.4183 -13.3518 -13.3518 -9.3299 -9.3299 -8.5948 -8.5948 -3.6338 -3.6338 -3.5237 -3.5237 -1.6658 -1.6658 -1.4552 -1.4552 -1.2391 -1.2391 2.4646 2.4646 6.0941 6.0941 6.5106 6.5106 6.5865 6.5865 7.1801 7.1801 7.2216 7.2216 8.5314 8.5314 12.3648 12.3648 17.1005 17.1005 18.4402 18.4402 k = 0.1897 0.0568 0.0348 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.6013 -13.6013 -13.4181 -13.4181 -13.3518 -13.3518 -9.3404 -9.3404 -8.5832 -8.5832 -3.6339 -3.6339 -3.5245 -3.5245 -1.6663 -1.6663 -1.4565 -1.4565 -1.2393 -1.2393 2.4541 2.4541 6.1538 6.1538 6.5193 6.5193 6.5944 6.5944 7.1721 7.1721 7.2136 7.2136 8.4565 8.4565 12.3957 12.3957 17.0597 17.0597 18.4339 18.4339 k = 0.1724 0.0517 0.0316 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.6010 -13.6010 -13.4180 -13.4180 -13.3518 -13.3518 -9.3501 -9.3501 -8.5723 -8.5723 -3.6339 -3.6339 -3.5253 -3.5253 -1.6668 -1.6668 -1.4577 -1.4577 -1.2394 -1.2394 2.4443 2.4443 6.2134 6.2134 6.5282 6.5282 6.6023 6.6023 7.1643 7.1643 7.2058 7.2058 8.3822 8.3822 12.4246 12.4246 17.0217 17.0217 18.4284 18.4284 k = 0.1552 0.0465 0.0285 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.6007 -13.6007 -13.4178 -13.4178 -13.3518 -13.3518 -9.3590 -9.3590 -8.5623 -8.5623 -3.6340 -3.6340 -3.5260 -3.5260 -1.6673 -1.6673 -1.4589 -1.4589 -1.2395 -1.2395 2.4351 2.4351 6.2724 6.2724 6.5374 6.5374 6.6099 6.6099 7.1566 7.1566 7.1982 7.1982 8.3094 8.3094 12.4513 12.4513 16.9867 16.9867 18.4234 18.4234 k = 0.1379 0.0413 0.0253 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.6004 -13.6004 -13.4177 -13.4177 -13.3518 -13.3518 -9.3671 -9.3671 -8.5532 -8.5532 -3.6340 -3.6340 -3.5268 -3.5268 -1.6677 -1.6677 -1.4600 -1.4600 -1.2396 -1.2396 2.4267 2.4267 6.3295 6.3295 6.5472 6.5472 6.6171 6.6171 7.1493 7.1493 7.1910 7.1910 8.2386 8.2386 12.4758 12.4758 16.9549 16.9549 18.4190 18.4190 k = 0.1207 0.0362 0.0221 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.6002 -13.6002 -13.4176 -13.4176 -13.3518 -13.3518 -9.3743 -9.3743 -8.5451 -8.5451 -3.6340 -3.6340 -3.5274 -3.5274 -1.6682 -1.6682 -1.4610 -1.4610 -1.2397 -1.2397 2.4192 2.4192 6.3833 6.3833 6.5579 6.5579 6.6239 6.6239 7.1425 7.1425 7.1843 7.1843 8.1709 8.1709 12.4977 12.4977 16.9264 16.9264 18.4152 18.4152 k = 0.1034 0.0310 0.0190 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.6000 -13.6000 -13.4175 -13.4175 -13.3518 -13.3518 -9.3807 -9.3807 -8.5379 -8.5379 -3.6341 -3.6341 -3.5280 -3.5280 -1.6685 -1.6685 -1.4619 -1.4619 -1.2398 -1.2398 2.4125 2.4125 6.4315 6.4315 6.5708 6.5708 6.6301 6.6301 7.1362 7.1362 7.1782 7.1782 8.1073 8.1073 12.5171 12.5171 16.9015 16.9015 18.4119 18.4119 k = 0.0862 0.0258 0.0158 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.5998 -13.5998 -13.4174 -13.4174 -13.3518 -13.3518 -9.3861 -9.3861 -8.5318 -8.5318 -3.6341 -3.6341 -3.5285 -3.5285 -1.6688 -1.6688 -1.4626 -1.4626 -1.2399 -1.2399 2.4067 2.4067 6.4713 6.4713 6.5872 6.5872 6.6356 6.6356 7.1307 7.1307 7.1728 7.1728 8.0491 8.0491 12.5336 12.5336 16.8803 16.8803 18.4092 18.4092 k = 0.0690 0.0207 0.0126 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.5996 -13.5996 -13.4173 -13.4173 -13.3518 -13.3518 -9.3905 -9.3905 -8.5267 -8.5267 -3.6341 -3.6341 -3.5288 -3.5288 -1.6691 -1.6691 -1.4633 -1.4633 -1.2400 -1.2400 2.4020 2.4020 6.5001 6.5001 6.6081 6.6081 6.6403 6.6403 7.1260 7.1260 7.1682 7.1682 7.9979 7.9979 12.5473 12.5473 16.8627 16.8627 18.4069 18.4069 k = 0.0517 0.0155 0.0095 ( 3357 PWs) bands (ev): -41.5134 -41.5134 -13.5995 -13.5995 -13.4173 -13.4173 -13.3518 -13.3518 -9.3940 -9.3940 -8.5228 -8.5228 -3.6341 -3.6341 -3.5292 -3.5292 -1.6693 -1.6693 -1.4638 -1.4638 -1.2400 -1.2400 2.3983 2.3983 6.5183 6.5183 6.6315 6.6315 6.6441 6.6441 7.1222 7.1222 7.1646 7.1646 7.9553 7.9553 12.5580 12.5580 16.8490 16.8490 18.4052 18.4052 k = 0.0345 0.0103 0.0063 ( 3378 PWs) bands (ev): -41.5134 -41.5134 -13.5995 -13.5995 -13.4174 -13.4174 -13.3519 -13.3519 -9.3965 -9.3965 -8.5199 -8.5199 -3.6342 -3.6342 -3.5295 -3.5295 -1.6695 -1.6695 -1.4642 -1.4642 -1.2401 -1.2401 2.3956 2.3956 6.5287 6.5287 6.6467 6.6467 6.6524 6.6524 7.1194 7.1194 7.1619 7.1619 7.9231 7.9231 12.5657 12.5657 16.8392 16.8392 18.4039 18.4039 k = 0.0172 0.0052 0.0032 ( 3378 PWs) bands (ev): -41.5134 -41.5134 -13.5995 -13.5995 -13.4173 -13.4173 -13.3519 -13.3519 -9.3980 -9.3980 -8.5182 -8.5182 -3.6342 -3.6342 -3.5296 -3.5296 -1.6696 -1.6696 -1.4644 -1.4644 -1.2401 -1.2401 2.3940 2.3940 6.5341 6.5341 6.6484 6.6484 6.6667 6.6667 7.1177 7.1177 7.1602 7.1602 7.9031 7.9031 12.5703 12.5703 16.8333 16.8333 18.4032 18.4032 k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -41.5134 -41.5134 -13.5995 -13.5995 -13.4173 -13.4173 -13.3519 -13.3519 -9.3986 -9.3986 -8.5176 -8.5176 -3.6343 -3.6343 -3.5297 -3.5297 -1.6697 -1.6697 -1.4645 -1.4645 -1.2401 -1.2401 2.3934 2.3934 6.5358 6.5358 6.6490 6.6490 6.6717 6.6717 7.1171 7.1171 7.1597 7.1597 7.8962 7.8962 12.5719 12.5719 16.8313 16.8313 18.4029 18.4029 k = 0.0000 0.0000 0.0000 ( 3381 PWs) bands (ev): -41.5134 -41.5134 -13.5995 -13.5995 -13.4173 -13.4173 -13.3519 -13.3519 -9.3986 -9.3986 -8.5176 -8.5176 -3.6343 -3.6343 -3.5297 -3.5297 -1.6697 -1.6697 -1.4645 -1.4645 -1.2401 -1.2401 2.3934 2.3934 6.5358 6.5358 6.6490 6.6490 6.6717 6.6717 7.1171 7.1171 7.1597 7.1597 7.8962 7.8962 12.5719 12.5719 16.8313 16.8313 18.4029 18.4029 k = 0.0053-0.0080-0.0157 ( 3375 PWs) bands (ev): -41.5134 -41.5134 -13.5994 -13.5994 -13.4173 -13.4173 -13.3519 -13.3519 -9.3980 -9.3980 -8.5178 -8.5178 -3.6340 -3.6340 -3.5294 -3.5294 -1.6693 -1.6693 -1.4643 -1.4643 -1.2401 -1.2401 2.3934 2.3934 6.5331 6.5331 6.6458 6.6458 6.6705 6.6705 7.1163 7.1163 7.1589 7.1589 7.9027 7.9027 12.5754 12.5754 16.8305 16.8305 18.3988 18.3988 k = 0.0106-0.0161-0.0314 ( 3367 PWs) bands (ev): -41.5133 -41.5133 -13.5994 -13.5994 -13.4174 -13.4174 -13.3521 -13.3521 -9.3962 -9.3962 -8.5184 -8.5184 -3.6332 -3.6332 -3.5288 -3.5288 -1.6681 -1.6681 -1.4638 -1.4638 -1.2401 -1.2401 2.3933 2.3933 6.5243 6.5243 6.6365 6.6365 6.6674 6.6674 7.1138 7.1138 7.1565 7.1565 7.9219 7.9219 12.5860 12.5860 16.8283 16.8283 18.3865 18.3865 k = 0.0159-0.0241-0.0471 ( 3367 PWs) bands (ev): -41.5133 -41.5133 -13.5993 -13.5993 -13.4176 -13.4176 -13.3524 -13.3524 -9.3932 -9.3932 -8.5193 -8.5193 -3.6320 -3.6320 -3.5276 -3.5276 -1.6661 -1.6661 -1.4630 -1.4630 -1.2401 -1.2401 2.3932 2.3932 6.5081 6.5081 6.6225 6.6225 6.6631 6.6631 7.1094 7.1094 7.1527 7.1527 7.9529 7.9529 12.6037 12.6037 16.8245 16.8245 18.3659 18.3659 k = 0.0211-0.0321-0.0628 ( 3365 PWs) bands (ev): -41.5133 -41.5133 -13.5992 -13.5992 -13.4178 -13.4178 -13.3529 -13.3529 -9.3891 -9.3891 -8.5207 -8.5207 -3.6303 -3.6303 -3.5260 -3.5260 -1.6634 -1.6634 -1.4619 -1.4619 -1.2400 -1.2400 2.3931 2.3931 6.4830 6.4830 6.6068 6.6068 6.6579 6.6579 7.1031 7.1031 7.1479 7.1479 7.9941 7.9941 12.6281 12.6281 16.8189 16.8189 18.3369 18.3369 k = 0.0264-0.0401-0.0785 ( 3357 PWs) bands (ev): -41.5132 -41.5132 -13.5990 -13.5990 -13.4181 -13.4181 -13.3535 -13.3535 -9.3838 -9.3838 -8.5224 -8.5224 -3.6282 -3.6282 -3.5239 -3.5239 -1.6599 -1.6599 -1.4604 -1.4604 -1.2399 -1.2399 2.3929 2.3929 6.4487 6.4487 6.5909 6.5909 6.6515 6.6515 7.0949 7.0949 7.1422 7.1422 8.0442 8.0442 12.6592 12.6592 16.8115 16.8115 18.2993 18.2993 k = 0.0317-0.0482-0.0942 ( 3355 PWs) bands (ev): -41.5132 -41.5132 -13.5989 -13.5989 -13.4184 -13.4184 -13.3542 -13.3542 -9.3774 -9.3774 -8.5244 -8.5244 -3.6257 -3.6257 -3.5214 -3.5214 -1.6557 -1.6557 -1.4586 -1.4586 -1.2398 -1.2398 2.3927 2.3927 6.4065 6.4065 6.5750 6.5750 6.6440 6.6440 7.0853 7.0853 7.1356 7.1356 8.1016 8.1016 12.6968 12.6968 16.8019 16.8019 18.2534 18.2534 k = 0.0370-0.0562-0.1100 ( 3353 PWs) bands (ev): -41.5131 -41.5131 -13.5987 -13.5987 -13.4189 -13.4189 -13.3550 -13.3550 -9.3699 -9.3699 -8.5268 -8.5268 -3.6229 -3.6229 -3.5183 -3.5183 -1.6509 -1.6509 -1.4565 -1.4565 -1.2395 -1.2395 2.3925 2.3925 6.3583 6.3583 6.5577 6.5577 6.6356 6.6356 7.0748 7.0748 7.1283 7.1283 8.1649 8.1649 12.7405 12.7405 16.7899 16.7899 18.1993 18.1993 k = 0.0423-0.0642-0.1257 ( 3355 PWs) bands (ev): -41.5130 -41.5130 -13.5986 -13.5986 -13.4194 -13.4194 -13.3560 -13.3560 -9.3613 -9.3613 -8.5295 -8.5295 -3.6198 -3.6198 -3.5147 -3.5147 -1.6454 -1.6454 -1.4541 -1.4541 -1.2392 -1.2392 2.3923 2.3923 6.3058 6.3058 6.5380 6.5380 6.6265 6.6265 7.0641 7.0641 7.1200 7.1200 8.2329 8.2329 12.7900 12.7900 16.7749 16.7749 18.1377 18.1377 k = 0.0476-0.0723-0.1414 ( 3357 PWs) bands (ev): -41.5129 -41.5129 -13.5984 -13.5984 -13.4200 -13.4200 -13.3571 -13.3571 -9.3516 -9.3516 -8.5326 -8.5326 -3.6164 -3.6164 -3.5106 -3.5106 -1.6394 -1.6394 -1.4514 -1.4514 -1.2387 -1.2387 2.3920 2.3920 6.2506 6.2506 6.5147 6.5147 6.6170 6.6170 7.0539 7.0539 7.1109 7.1109 8.3046 8.3046 12.8450 12.8450 16.7564 16.7564 18.0696 18.0696 k = 0.0529-0.0803-0.1571 ( 3355 PWs) bands (ev): -41.5128 -41.5128 -13.5982 -13.5982 -13.4206 -13.4206 -13.3583 -13.3583 -9.3408 -9.3408 -8.5360 -8.5360 -3.6128 -3.6128 -3.5058 -3.5058 -1.6328 -1.6328 -1.4483 -1.4483 -1.2380 -1.2380 2.3918 2.3918 6.1936 6.1936 6.4873 6.4873 6.6073 6.6073 7.0446 7.0446 7.1008 7.1008 8.3792 8.3792 12.9051 12.9051 16.7337 16.7337 17.9963 17.9963 k = 0.0582-0.0883-0.1728 ( 3359 PWs) bands (ev): -41.5127 -41.5127 -13.5980 -13.5980 -13.4214 -13.4214 -13.3595 -13.3595 -9.3291 -9.3291 -8.5396 -8.5396 -3.6091 -3.6091 -3.5006 -3.5006 -1.6257 -1.6257 -1.4449 -1.4449 -1.2372 -1.2372 2.3917 2.3917 6.1359 6.1359 6.4553 6.4553 6.5974 6.5974 7.0365 7.0365 7.0898 7.0898 8.4560 8.4560 12.9700 12.9700 16.7058 16.7058 17.9197 17.9197 k = 0.0634-0.0963-0.1885 ( 3365 PWs) bands (ev): -41.5126 -41.5126 -13.5979 -13.5979 -13.4222 -13.4222 -13.3609 -13.3609 -9.3163 -9.3163 -8.5436 -8.5436 -3.6053 -3.6053 -3.4947 -3.4947 -1.6183 -1.6183 -1.4412 -1.4412 -1.2360 -1.2360 2.3916 2.3916 6.0778 6.0778 6.4188 6.4188 6.5872 6.5872 7.0298 7.0298 7.0781 7.0781 8.5345 8.5345 13.0392 13.0392 16.6718 16.6718 17.8418 17.8418 k = 0.0687-0.1044-0.2042 ( 3365 PWs) bands (ev): -41.5125 -41.5125 -13.5977 -13.5977 -13.4230 -13.4230 -13.3622 -13.3622 -9.3027 -9.3027 -8.5478 -8.5478 -3.6014 -3.6014 -3.4883 -3.4883 -1.6105 -1.6105 -1.4373 -1.4373 -1.2345 -1.2345 2.3916 2.3916 6.0201 6.0201 6.3781 6.3781 6.5767 6.5767 7.0241 7.0241 7.0659 7.0659 8.6141 8.6141 13.1125 13.1125 16.6305 16.6305 17.7651 17.7651 k = 0.0740-0.1124-0.2199 ( 3365 PWs) bands (ev): -41.5124 -41.5124 -13.5975 -13.5975 -13.4239 -13.4239 -13.3637 -13.3637 -9.2881 -9.2881 -8.5523 -8.5523 -3.5975 -3.5975 -3.4812 -3.4812 -1.6024 -1.6024 -1.4331 -1.4331 -1.2326 -1.2326 2.3917 2.3917 5.9629 5.9629 6.3335 6.3335 6.5658 6.5658 7.0184 7.0184 7.0542 7.0542 8.6944 8.6944 13.1893 13.1893 16.5810 16.5810 17.6918 17.6918 k = 0.0793-0.1204-0.2356 ( 3365 PWs) bands (ev): -41.5122 -41.5122 -13.5974 -13.5974 -13.4249 -13.4249 -13.3651 -13.3651 -9.2727 -9.2727 -8.5569 -8.5569 -3.5936 -3.5936 -3.4737 -3.4737 -1.5940 -1.5940 -1.4287 -1.4287 -1.2302 -1.2302 2.3920 2.3920 5.9068 5.9068 6.2856 6.2856 6.5543 6.5543 7.0110 7.0110 7.0447 7.0447 8.7752 8.7752 13.2693 13.2693 16.5223 16.5223 17.6241 17.6241 k = 0.0846-0.1284-0.2513 ( 3363 PWs) bands (ev): -41.5121 -41.5121 -13.5972 -13.5972 -13.4259 -13.4259 -13.3666 -13.3666 -9.2565 -9.2565 -8.5618 -8.5618 -3.5897 -3.5897 -3.4656 -3.4656 -1.5855 -1.5855 -1.4242 -1.4242 -1.2272 -1.2272 2.3924 2.3924 5.8518 5.8518 6.2347 6.2347 6.5423 6.5423 6.9998 6.9998 7.0395 7.0395 8.8560 8.8560 13.3520 13.3520 16.4542 16.4542 17.5637 17.5637 k = 0.0899-0.1365-0.2670 ( 3361 PWs) bands (ev): -41.5119 -41.5119 -13.5971 -13.5971 -13.4269 -13.4269 -13.3682 -13.3682 -9.2395 -9.2395 -8.5669 -8.5669 -3.5859 -3.5859 -3.4570 -3.4570 -1.5768 -1.5768 -1.4196 -1.4196 -1.2237 -1.2237 2.3930 2.3930 5.7981 5.7981 6.1815 6.1815 6.5295 6.5295 6.9845 6.9845 7.0382 7.0382 8.9367 8.9367 13.4370 13.4370 16.3769 16.3769 17.5115 17.5115 k = 0.0952-0.1445-0.2827 ( 3357 PWs) bands (ev): -41.5118 -41.5118 -13.5970 -13.5970 -13.4279 -13.4279 -13.3697 -13.3697 -9.2218 -9.2218 -8.5721 -8.5721 -3.5820 -3.5820 -3.4480 -3.4480 -1.5681 -1.5681 -1.4150 -1.4150 -1.2194 -1.2194 2.3940 2.3940 5.7459 5.7459 6.1264 6.1264 6.5160 6.5160 6.9666 6.9666 7.0397 7.0397 9.0170 9.0170 13.5238 13.5238 16.2913 16.2913 17.4678 17.4678 k = 0.1004-0.1525-0.2984 ( 3357 PWs) bands (ev): -41.5116 -41.5116 -13.5970 -13.5970 -13.4290 -13.4290 -13.3712 -13.3712 -9.2035 -9.2035 -8.5774 -8.5774 -3.5783 -3.5783 -3.4386 -3.4386 -1.5594 -1.5594 -1.4104 -1.4104 -1.2144 -1.2144 2.3952 2.3952 5.6953 5.6953 6.0698 6.0698 6.5017 6.5017 6.9467 6.9467 7.0428 7.0428 9.0966 9.0966 13.6119 13.6119 16.1988 16.1988 17.4323 17.4323 k = 0.1057-0.1606-0.3142 ( 3359 PWs) bands (ev): -41.5115 -41.5115 -13.5970 -13.5970 -13.4302 -13.4302 -13.3728 -13.3728 -9.1846 -9.1846 -8.5829 -8.5829 -3.5746 -3.5746 -3.4289 -3.4289 -1.5506 -1.5506 -1.4060 -1.4060 -1.2086 -1.2086 2.3967 2.3967 5.6464 5.6464 6.0121 6.0121 6.4865 6.4865 6.9253 6.9253 7.0470 7.0470 9.1755 9.1755 13.7007 13.7007 16.1012 16.1012 17.4045 17.4045 k = 0.1110-0.1686-0.3299 ( 3363 PWs) bands (ev): -41.5113 -41.5113 -13.5971 -13.5971 -13.4313 -13.4313 -13.3744 -13.3744 -9.1652 -9.1652 -8.5884 -8.5884 -3.5709 -3.5709 -3.4190 -3.4190 -1.5419 -1.5419 -1.4017 -1.4017 -1.2020 -1.2020 2.3987 2.3987 5.5991 5.5991 5.9539 5.9539 6.4704 6.4704 6.9027 6.9027 7.0520 7.0520 9.2533 9.2533 13.7895 13.7895 16.0005 16.0005 17.3834 17.3834 k = 0.1163-0.1766-0.3456 ( 3363 PWs) bands (ev): -41.5111 -41.5111 -13.5972 -13.5972 -13.4325 -13.4325 -13.3759 -13.3759 -9.1452 -9.1452 -8.5940 -8.5940 -3.5672 -3.5672 -3.4088 -3.4088 -1.5332 -1.5332 -1.3977 -1.3977 -1.1945 -1.1945 2.4011 2.4011 5.5535 5.5535 5.8954 5.8954 6.4534 6.4534 6.8788 6.8788 7.0576 7.0576 9.3300 9.3300 13.8776 13.8776 15.8987 15.8987 17.3683 17.3683 k = 0.1216-0.1846-0.3613 ( 3365 PWs) bands (ev): -41.5109 -41.5109 -13.5973 -13.5973 -13.4336 -13.4336 -13.3775 -13.3775 -9.1249 -9.1249 -8.5996 -8.5996 -3.5635 -3.5635 -3.3985 -3.3985 -1.5246 -1.5246 -1.3939 -1.3939 -1.1862 -1.1862 2.4040 2.4040 5.5096 5.5096 5.8371 5.8371 6.4353 6.4353 6.8539 6.8539 7.0636 7.0636 9.4054 9.4054 13.9641 13.9641 15.7979 15.7979 17.3583 17.3583 k = 0.1269-0.1927-0.3770 ( 3364 PWs) bands (ev): -41.5108 -41.5108 -13.5975 -13.5975 -13.4348 -13.4348 -13.3790 -13.3790 -9.1043 -9.1043 -8.6053 -8.6053 -3.5599 -3.5599 -3.3882 -3.3882 -1.5160 -1.5160 -1.3905 -1.3905 -1.1772 -1.1772 2.4074 2.4074 5.4673 5.4673 5.7792 5.7792 6.4163 6.4163 6.8280 6.8280 7.0698 7.0698 9.4794 9.4794 14.0475 14.0475 15.7003 15.7003 17.3527 17.3527 k = 0.1322-0.2007-0.3927 ( 3360 PWs) bands (ev): -41.5106 -41.5106 -13.5978 -13.5978 -13.4359 -13.4359 -13.3805 -13.3805 -9.0833 -9.0833 -8.6109 -8.6109 -3.5562 -3.5562 -3.3778 -3.3778 -1.5075 -1.5075 -1.3873 -1.3873 -1.1675 -1.1675 2.4114 2.4114 5.4264 5.4264 5.7222 5.7222 6.3963 6.3963 6.8013 6.8013 7.0762 7.0762 9.5519 9.5519 14.1263 14.1263 15.6083 15.6083 17.3509 17.3509 k = 0.1374-0.2087-0.4084 ( 3352 PWs) bands (ev): -41.5104 -41.5104 -13.5981 -13.5981 -13.4369 -13.4369 -13.3820 -13.3820 -9.0622 -9.0622 -8.6165 -8.6165 -3.5524 -3.5524 -3.3674 -3.3674 -1.4990 -1.4990 -1.3843 -1.3843 -1.1571 -1.1571 2.4160 2.4160 5.3870 5.3870 5.6663 5.6663 6.3752 6.3752 6.7738 6.7738 7.0825 7.0825 9.6228 9.6228 14.1984 14.1984 15.5247 15.5247 17.3524 17.3524 k = 0.1427-0.2168-0.4241 ( 3354 PWs) bands (ev): -41.5102 -41.5102 -13.5984 -13.5984 -13.4380 -13.4380 -13.3835 -13.3835 -9.0409 -9.0409 -8.6221 -8.6221 -3.5487 -3.5487 -3.3572 -3.3572 -1.4905 -1.4905 -1.3817 -1.3817 -1.1463 -1.1463 2.4214 2.4214 5.3488 5.3488 5.6119 5.6119 6.3531 6.3531 6.7456 6.7456 7.0886 7.0886 9.6919 9.6919 14.2609 14.2609 15.4528 15.4528 17.3567 17.3567 k = 0.1480-0.2248-0.4398 ( 3350 PWs) bands (ev): -41.5100 -41.5100 -13.5988 -13.5988 -13.4390 -13.4390 -13.3850 -13.3850 -9.0196 -9.0196 -8.6275 -8.6275 -3.5449 -3.5449 -3.3471 -3.3471 -1.4821 -1.4821 -1.3792 -1.3792 -1.1350 -1.1350 2.4274 2.4274 5.3116 5.3116 5.5592 5.5592 6.3299 6.3299 6.7170 6.7170 7.0945 7.0945 9.7592 9.7592 14.3103 14.3103 15.3964 15.3964 17.3633 17.3633 k = 0.1533-0.2328-0.4555 ( 3348 PWs) bands (ev): -41.5098 -41.5098 -13.5993 -13.5993 -13.4399 -13.4399 -13.3864 -13.3864 -8.9982 -8.9982 -8.6328 -8.6328 -3.5410 -3.5410 -3.3372 -3.3372 -1.4737 -1.4737 -1.3769 -1.3769 -1.1235 -1.1235 2.4341 2.4341 5.2753 5.2753 5.5087 5.5087 6.3056 6.3056 6.6880 6.6880 7.1001 7.1001 9.8246 9.8246 14.3431 14.3431 15.3593 15.3593 17.3716 17.3716 k = 0.1586-0.2408-0.4712 ( 3348 PWs) bands (ev): -41.5096 -41.5096 -13.5998 -13.5998 -13.4408 -13.4408 -13.3878 -13.3878 -8.9769 -8.9769 -8.6381 -8.6381 -3.5370 -3.5370 -3.3275 -3.3275 -1.4654 -1.4654 -1.3748 -1.3748 -1.1119 -1.1119 2.4416 2.4416 5.2397 5.2397 5.4604 5.4604 6.2803 6.2803 6.6588 6.6588 7.1052 7.1052 9.8880 9.8880 14.3567 14.3567 15.3442 15.3442 17.3806 17.3806 k = 0.1639-0.2489-0.4869 ( 3342 PWs) bands (ev): -41.5094 -41.5094 -13.6004 -13.6004 -13.4416 -13.4416 -13.3892 -13.3892 -8.9558 -8.9558 -8.6431 -8.6431 -3.5329 -3.5329 -3.3182 -3.3182 -1.4571 -1.4571 -1.3727 -1.3727 -1.1002 -1.1002 2.4499 2.4499 5.2045 5.2045 5.4148 5.4148 6.2538 6.2538 6.6297 6.6297 7.1099 7.1099 9.9494 9.9494 14.3507 14.3507 15.3514 15.3514 17.3891 17.3891 k = 0.1692-0.2569-0.5026 ( 3348 PWs) bands (ev): -41.5093 -41.5093 -13.6010 -13.6010 -13.4425 -13.4425 -13.3907 -13.3907 -8.9349 -8.9349 -8.6480 -8.6480 -3.5288 -3.5288 -3.3092 -3.3092 -1.4488 -1.4488 -1.3706 -1.3706 -1.0887 -1.0887 2.4589 2.4589 5.1696 5.1696 5.3719 5.3719 6.2263 6.2263 6.6007 6.6007 7.1139 7.1139 10.0087 10.0087 14.3277 14.3277 15.3786 15.3786 17.3941 17.3941 k = 0.1745-0.2649-0.5184 ( 3350 PWs) bands (ev): -41.5091 -41.5091 -13.6016 -13.6016 -13.4432 -13.4432 -13.3921 -13.3921 -8.9142 -8.9142 -8.6527 -8.6527 -3.5245 -3.5245 -3.3006 -3.3006 -1.4405 -1.4405 -1.3686 -1.3686 -1.0774 -1.0774 2.4686 2.4686 5.1350 5.1350 5.3319 5.3319 6.1978 6.1978 6.5722 6.5722 7.1173 7.1173 10.0659 10.0659 14.2916 14.2916 15.4214 15.4214 17.3907 17.3907 k = 0.1797-0.2730-0.5341 ( 3350 PWs) bands (ev): -41.5089 -41.5089 -13.6023 -13.6023 -13.4438 -13.4438 -13.3935 -13.3935 -8.8939 -8.8939 -8.6572 -8.6572 -3.5201 -3.5201 -3.2924 -3.2924 -1.4323 -1.4323 -1.3665 -1.3665 -1.0664 -1.0664 2.4791 2.4791 5.1007 5.1007 5.2947 5.2947 6.1682 6.1682 6.5444 6.5444 7.1200 7.1200 10.1210 10.1210 14.2469 14.2469 15.4754 15.4754 17.3706 17.3706 k = 0.1850-0.2810-0.5498 ( 3348 PWs) bands (ev): -41.5087 -41.5087 -13.6030 -13.6030 -13.4444 -13.4444 -13.3949 -13.3949 -8.8741 -8.8741 -8.6614 -8.6614 -3.5155 -3.5155 -3.2846 -3.2846 -1.4241 -1.4241 -1.3644 -1.3644 -1.0558 -1.0558 2.4902 2.4902 5.0667 5.0667 5.2602 5.2602 6.1375 6.1375 6.5175 6.5175 7.1220 7.1220 10.1739 10.1739 14.1973 14.1973 15.5363 15.5363 17.3279 17.3279 k = 0.1903-0.2890-0.5655 ( 3342 PWs) bands (ev): -41.5085 -41.5085 -13.6036 -13.6036 -13.4448 -13.4448 -13.3963 -13.3963 -8.8547 -8.8547 -8.6654 -8.6654 -3.5108 -3.5108 -3.2773 -3.2773 -1.4159 -1.4159 -1.3621 -1.3621 -1.0458 -1.0458 2.5020 2.5020 5.0333 5.0333 5.2281 5.2281 6.1059 6.1059 6.4918 6.4918 7.1231 7.1231 10.2246 10.2246 14.1457 14.1457 15.6011 15.6011 17.2664 17.2664 k = 0.1956-0.2970-0.5812 ( 3342 PWs) bands (ev): -41.5084 -41.5084 -13.6043 -13.6043 -13.4453 -13.4453 -13.3976 -13.3976 -8.8359 -8.8359 -8.6691 -8.6691 -3.5059 -3.5059 -3.2705 -3.2705 -1.4078 -1.4078 -1.3598 -1.3598 -1.0363 -1.0363 2.5143 2.5143 5.0008 5.0008 5.1983 5.1983 6.0732 6.0732 6.4676 6.4676 7.1233 7.1233 10.2731 10.2731 14.0941 14.0941 15.6669 15.6669 17.1949 17.1949 k = 0.2009-0.3051-0.5969 ( 3344 PWs) bands (ev): -41.5082 -41.5082 -13.6050 -13.6050 -13.4457 -13.4457 -13.3990 -13.3990 -8.8176 -8.8176 -8.6725 -8.6725 -3.5008 -3.5008 -3.2642 -3.2642 -1.3997 -1.3997 -1.3573 -1.3573 -1.0275 -1.0275 2.5271 2.5271 4.9694 4.9694 5.1705 5.1705 6.0395 6.0395 6.4451 6.4451 7.1227 7.1227 10.3194 10.3194 14.0440 14.0440 15.7318 15.7318 17.1196 17.1196 k = 0.2062-0.3131-0.6126 ( 3344 PWs) bands (ev): -41.5080 -41.5080 -13.6057 -13.6057 -13.4460 -13.4460 -13.4004 -13.4004 -8.8001 -8.8001 -8.6756 -8.6756 -3.4955 -3.4955 -3.2585 -3.2585 -1.3917 -1.3917 -1.3546 -1.3546 -1.0194 -1.0194 2.5404 2.5404 4.9392 4.9392 5.1443 5.1443 6.0047 6.0047 6.4246 6.4246 7.1211 7.1211 10.3635 10.3635 13.9965 13.9965 15.7936 15.7936 17.0443 17.0443 k = 0.2115-0.3211-0.6283 ( 3342 PWs) bands (ev): -41.5079 -41.5079 -13.6063 -13.6063 -13.4462 -13.4462 -13.4018 -13.4018 -8.7833 -8.7833 -8.6784 -8.6784 -3.4900 -3.4900 -3.2534 -3.2534 -1.3838 -1.3838 -1.3518 -1.3518 -1.0121 -1.0121 2.5538 2.5538 4.9106 4.9106 5.1197 5.1197 5.9690 5.9690 6.4065 6.4065 7.1185 7.1185 10.4054 10.4054 13.9523 13.9523 15.8505 15.8505 16.9714 16.9714 k = 0.2167-0.3292-0.6440 ( 3342 PWs) bands (ev): -41.5077 -41.5077 -13.6069 -13.6069 -13.4464 -13.4464 -13.4032 -13.4032 -8.7673 -8.7673 -8.6809 -8.6809 -3.4843 -3.4843 -3.2488 -3.2488 -1.3759 -1.3759 -1.3489 -1.3489 -1.0057 -1.0057 2.5675 2.5675 4.8837 4.8837 5.0966 5.0966 5.9322 5.9322 6.3908 6.3908 7.1149 7.1149 10.4451 10.4451 13.9119 13.9119 15.9005 15.9005 16.9029 16.9029 k = 0.2220-0.3372-0.6597 ( 3340 PWs) bands (ev): -41.5076 -41.5076 -13.6075 -13.6075 -13.4465 -13.4465 -13.4045 -13.4045 -8.7521 -8.7521 -8.6829 -8.6829 -3.4783 -3.4783 -3.2448 -3.2448 -1.3682 -1.3682 -1.3457 -1.3457 -1.0001 -1.0001 2.5812 2.5812 4.8585 4.8585 5.0748 5.0748 5.8944 5.8944 6.3777 6.3777 7.1103 7.1103 10.4826 10.4826 13.8757 13.8757 15.9412 15.9412 16.8408 16.8408 k = 0.2273-0.3452-0.6754 ( 3342 PWs) bands (ev): -41.5075 -41.5075 -13.6081 -13.6081 -13.4466 -13.4466 -13.4059 -13.4059 -8.7379 -8.7379 -8.6846 -8.6846 -3.4722 -3.4722 -3.2414 -3.2414 -1.3605 -1.3605 -1.3424 -1.3424 -0.9954 -0.9954 2.5948 2.5948 4.8351 4.8351 5.0546 5.0546 5.8556 5.8556 6.3675 6.3675 7.1047 7.1047 10.5180 10.5180 13.8439 13.8439 15.9701 15.9701 16.7873 16.7873 k = 0.2326-0.3532-0.6911 ( 3336 PWs) bands (ev): -41.5073 -41.5073 -13.6086 -13.6086 -13.4466 -13.4466 -13.4072 -13.4072 -8.7248 -8.7248 -8.6857 -8.6857 -3.4657 -3.4657 -3.2386 -3.2386 -1.3531 -1.3531 -1.3387 -1.3387 -0.9916 -0.9916 2.6082 2.6082 4.8135 4.8135 5.0359 5.0359 5.8158 5.8158 6.3602 6.3602 7.0981 7.0981 10.5513 10.5513 13.8169 13.8169 15.9846 15.9846 16.7447 16.7447 k = 0.2379-0.3613-0.7068 ( 3330 PWs) bands (ev): -41.5072 -41.5072 -13.6090 -13.6090 -13.4466 -13.4466 -13.4086 -13.4086 -8.7130 -8.7130 -8.6861 -8.6861 -3.4591 -3.4591 -3.2364 -3.2364 -1.3459 -1.3459 -1.3347 -1.3347 -0.9888 -0.9888 2.6213 2.6213 4.7938 4.7938 5.0190 5.0190 5.7751 5.7751 6.3559 6.3559 7.0905 7.0905 10.5824 10.5824 13.7946 13.7946 15.9830 15.9830 16.7146 16.7146 k = 0.2432-0.3693-0.7226 ( 3330 PWs) bands (ev): -41.5071 -41.5071 -13.6094 -13.6094 -13.4465 -13.4465 -13.4099 -13.4099 -8.7031 -8.7031 -8.6852 -8.6852 -3.4522 -3.4522 -3.2349 -3.2349 -1.3394 -1.3394 -1.3300 -1.3300 -0.9869 -0.9869 2.6338 2.6338 4.7757 4.7757 5.0040 5.0040 5.7335 5.7335 6.3545 6.3545 7.0819 7.0819 10.6115 10.6115 13.7771 13.7771 15.9646 15.9646 16.6972 16.6972 k = 0.2485-0.3773-0.7383 ( 3328 PWs) bands (ev): -41.5069 -41.5069 -13.6098 -13.6098 -13.4464 -13.4464 -13.4112 -13.4112 -8.6966 -8.6966 -8.6815 -8.6815 -3.4451 -3.4451 -3.2339 -3.2339 -1.3339 -1.3339 -1.3243 -1.3243 -0.9859 -0.9859 2.6457 2.6457 4.7593 4.7593 4.9913 4.9913 5.6910 5.6910 6.3561 6.3561 7.0723 7.0723 10.6385 10.6385 13.7646 13.7646 15.9308 15.9308 16.6910 16.6910 k = 0.2538-0.3853-0.7540 ( 3336 PWs) bands (ev): -41.5069 -41.5069 -13.6102 -13.6102 -13.4463 -13.4463 -13.4126 -13.4126 -8.6936 -8.6936 -8.6750 -8.6750 -3.4378 -3.4378 -3.2337 -3.2337 -1.3293 -1.3293 -1.3177 -1.3177 -0.9859 -0.9859 2.6567 2.6567 4.7445 4.7445 4.9810 4.9810 5.6478 5.6478 6.3606 6.3606 7.0618 7.0618 10.6634 10.6634 13.7569 13.7569 15.8843 15.8843 16.6934 16.6934 k = 0.2590-0.3934-0.7697 ( 3342 PWs) bands (ev): -41.5068 -41.5068 -13.6105 -13.6105 -13.4461 -13.4461 -13.4139 -13.4139 -8.6922 -8.6922 -8.6676 -8.6676 -3.4303 -3.4303 -3.2340 -3.2340 -1.3252 -1.3252 -1.3106 -1.3106 -0.9868 -0.9868 2.6669 2.6669 4.7313 4.7313 4.9735 4.9735 5.6039 5.6039 6.3678 6.3678 7.0504 7.0504 10.6863 10.6863 13.7540 13.7540 15.8279 15.8279 16.7014 16.7014 k = 0.2643-0.4014-0.7854 ( 3342 PWs) bands (ev): -41.5067 -41.5067 -13.6107 -13.6107 -13.4459 -13.4459 -13.4152 -13.4152 -8.6910 -8.6910 -8.6605 -8.6605 -3.4226 -3.4226 -3.2350 -3.2350 -1.3214 -1.3214 -1.3032 -1.3032 -0.9885 -0.9885 2.6761 2.6761 4.7195 4.7195 4.9689 4.9689 5.5594 5.5594 6.3777 6.3777 7.0381 7.0381 10.7071 10.7071 13.7559 13.7559 15.7644 15.7644 16.7126 16.7126 k = 0.2696-0.4094-0.8011 ( 3342 PWs) bands (ev): -41.5066 -41.5066 -13.6109 -13.6109 -13.4456 -13.4456 -13.4165 -13.4165 -8.6898 -8.6898 -8.6542 -8.6542 -3.4146 -3.4146 -3.2366 -3.2366 -1.3178 -1.3178 -1.2956 -1.2956 -0.9911 -0.9911 2.6842 2.6842 4.7092 4.7092 4.9673 4.9673 5.5145 5.5145 6.3900 6.3900 7.0250 7.0250 10.7259 10.7259 13.7625 13.7625 15.6958 15.6958 16.7251 16.7251 k = 0.2749-0.4175-0.8168 ( 3342 PWs) bands (ev): -41.5065 -41.5065 -13.6110 -13.6110 -13.4453 -13.4453 -13.4178 -13.4178 -8.6883 -8.6883 -8.6489 -8.6489 -3.4065 -3.4065 -3.2388 -3.2388 -1.3144 -1.3144 -1.2880 -1.2880 -0.9944 -0.9944 2.6912 2.6912 4.7005 4.7005 4.9689 4.9689 5.4693 5.4693 6.4047 6.4047 7.0112 7.0112 10.7427 10.7427 13.7735 13.7735 15.6237 15.6237 16.7374 16.7374 k = 0.2802-0.4255-0.8325 ( 3342 PWs) bands (ev): -41.5064 -41.5064 -13.6111 -13.6111 -13.4449 -13.4449 -13.4190 -13.4190 -8.6866 -8.6866 -8.6444 -8.6444 -3.3982 -3.3982 -3.2416 -3.2416 -1.3112 -1.3112 -1.2804 -1.2804 -0.9984 -0.9984 2.6968 2.6968 4.6934 4.6934 4.9736 4.9736 5.4240 5.4240 6.4215 6.4215 6.9967 6.9967 10.7574 10.7574 13.7888 13.7888 15.5495 15.5495 16.7489 16.7489 k = 0.2855-0.4335-0.8482 ( 3348 PWs) bands (ev): -41.5064 -41.5064 -13.6111 -13.6111 -13.4445 -13.4445 -13.4203 -13.4203 -8.6846 -8.6846 -8.6410 -8.6410 -3.3898 -3.3898 -3.2451 -3.2451 -1.3080 -1.3080 -1.2730 -1.2730 -1.0030 -1.0030 2.7012 2.7012 4.6879 4.6879 4.9811 4.9811 5.3788 5.3788 6.4401 6.4401 6.9817 6.9817 10.7701 10.7701 13.8081 13.8081 15.4741 15.4741 16.7590 16.7590 k = 0.2908-0.4415-0.8639 ( 3344 PWs) bands (ev): -41.5063 -41.5063 -13.6111 -13.6111 -13.4441 -13.4441 -13.4214 -13.4214 -8.6823 -8.6823 -8.6385 -8.6385 -3.3812 -3.3812 -3.2491 -3.2491 -1.3050 -1.3050 -1.2657 -1.2657 -1.0081 -1.0081 2.7044 2.7044 4.6842 4.6842 4.9912 4.9912 5.3343 5.3343 6.4606 6.4606 6.9661 6.9661 10.7807 10.7807 13.8309 13.8309 15.3985 15.3985 16.7674 16.7674 k = 0.2960-0.4496-0.8796 ( 3344 PWs) bands (ev): -41.5063 -41.5063 -13.6111 -13.6111 -13.4436 -13.4436 -13.4225 -13.4225 -8.6797 -8.6797 -8.6369 -8.6369 -3.3726 -3.3726 -3.2537 -3.2537 -1.3022 -1.3022 -1.2586 -1.2586 -1.0135 -1.0135 2.7063 2.7063 4.6822 4.6822 5.0034 5.0034 5.2910 5.2910 6.4825 6.4825 6.9501 6.9501 10.7893 10.7893 13.8568 13.8568 15.3235 15.3235 16.7741 16.7741 k = 0.3013-0.4576-0.8953 ( 3344 PWs) bands (ev): -41.5062 -41.5062 -13.6111 -13.6111 -13.4432 -13.4432 -13.4235 -13.4235 -8.6769 -8.6769 -8.6362 -8.6362 -3.3638 -3.3638 -3.2589 -3.2589 -1.2996 -1.2996 -1.2518 -1.2518 -1.0192 -1.0192 2.7069 2.7069 4.6819 4.6819 5.0164 5.0164 5.2500 5.2500 6.5056 6.5056 6.9338 6.9338 10.7957 10.7957 13.8850 13.8850 15.2503 15.2503 16.7791 16.7791 k = 0.3066-0.4656-0.9111 ( 3350 PWs) bands (ev): -41.5062 -41.5062 -13.6111 -13.6111 -13.4428 -13.4428 -13.4245 -13.4245 -8.6738 -8.6738 -8.6363 -8.6363 -3.3552 -3.3552 -3.2646 -3.2646 -1.2972 -1.2972 -1.2456 -1.2456 -1.0248 -1.0248 2.7064 2.7064 4.6831 4.6831 5.0283 5.0283 5.2137 5.2137 6.5299 6.5299 6.9173 6.9173 10.8001 10.8001 13.9144 13.9144 15.1798 15.1798 16.7824 16.7824 k = 0.3119-0.4737-0.9268 ( 3358 PWs) bands (ev): -41.5062 -41.5062 -13.6111 -13.6111 -13.4424 -13.4424 -13.4254 -13.4254 -8.6706 -8.6706 -8.6372 -8.6372 -3.3466 -3.3466 -3.2708 -3.2708 -1.2950 -1.2950 -1.2401 -1.2401 -1.0302 -1.0302 2.7049 2.7049 4.6857 4.6857 5.0347 5.0347 5.1866 5.1866 6.5550 6.5550 6.9008 6.9008 10.8023 10.8023 13.9438 13.9438 15.1138 15.1138 16.7842 16.7842 k = 0.3172-0.4817-0.9425 ( 3356 PWs) bands (ev): -41.5062 -41.5062 -13.6110 -13.6110 -13.4419 -13.4419 -13.4261 -13.4261 -8.6672 -8.6672 -8.6388 -8.6388 -3.3381 -3.3381 -3.2772 -3.2772 -1.2931 -1.2931 -1.2353 -1.2353 -1.0351 -1.0351 2.7023 2.7023 4.6890 4.6890 5.0294 5.0294 5.1752 5.1752 6.5808 6.5808 6.8843 6.8843 10.8024 10.8024 13.9713 13.9713 15.0540 15.0540 16.7848 16.7848 k = 0.3225-0.4897-0.9582 ( 3348 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4415 -13.4415 -13.4267 -13.4267 -8.6639 -8.6639 -8.6409 -8.6409 -3.3302 -3.3302 -3.2837 -3.2837 -1.2916 -1.2916 -1.2314 -1.2314 -1.0391 -1.0391 2.6989 2.6989 4.6924 4.6924 5.0113 5.0113 5.1815 5.1815 6.6072 6.6072 6.8681 6.8681 10.8005 10.8005 13.9944 13.9944 15.0031 15.0031 16.7841 16.7841 k = 0.3278-0.4977-0.9739 ( 3350 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4413 -13.4413 -13.4271 -13.4271 -8.6611 -8.6611 -8.6430 -8.6430 -3.3235 -3.3235 -3.2895 -3.2895 -1.2906 -1.2906 -1.2287 -1.2287 -1.0421 -1.0421 2.6947 2.6947 4.6943 4.6943 4.9868 4.9868 5.2001 5.2001 6.6339 6.6339 6.8523 6.8523 10.7964 10.7964 14.0103 14.0103 14.9639 14.9639 16.7825 16.7825 k = 0.3330-0.5058-0.9896 ( 3346 PWs) bands (ev): -41.5061 -41.5061 -13.6108 -13.6108 -13.4412 -13.4412 -13.4272 -13.4272 -8.6597 -8.6597 -8.6441 -8.6441 -3.3199 -3.3199 -3.2927 -3.2927 -1.2903 -1.2903 -1.2271 -1.2271 -1.0437 -1.0437 2.6898 2.6898 4.6930 4.6930 4.9630 4.9630 5.2257 5.2257 6.6607 6.6607 6.8371 6.8371 10.7901 10.7901 14.0156 14.0156 14.9396 14.9396 16.7800 16.7800 k = 0.3383-0.5138-1.0053 ( 3346 PWs) bands (ev): -41.5061 -41.5061 -13.6108 -13.6108 -13.4412 -13.4412 -13.4271 -13.4271 -8.6610 -8.6610 -8.6430 -8.6430 -3.3219 -3.3219 -3.2908 -3.2908 -1.2908 -1.2908 -1.2265 -1.2265 -1.0438 -1.0438 2.6845 2.6845 4.6859 4.6859 4.9450 4.9450 5.2553 5.2553 6.6875 6.6875 6.8227 6.8227 10.7818 10.7818 14.0080 14.0080 14.9327 14.9327 16.7770 16.7770 k = 0.3436-0.5218-1.0210 ( 3342 PWs) bands (ev): -41.5061 -41.5061 -13.6108 -13.6108 -13.4414 -13.4414 -13.4267 -13.4267 -8.6647 -8.6647 -8.6399 -8.6399 -3.3283 -3.3283 -3.2850 -3.2850 -1.2924 -1.2924 -1.2267 -1.2267 -1.0424 -1.0424 2.6786 2.6786 4.6712 4.6712 4.9360 4.9360 5.2875 5.2875 6.7141 6.7141 6.8093 6.8093 10.7714 10.7714 13.9860 13.9860 14.9445 14.9445 16.7734 16.7734 k = 0.6564-0.3720-0.9293 ( 3342 PWs) bands (ev): -41.5061 -41.5061 -13.6108 -13.6108 -13.4414 -13.4414 -13.4267 -13.4267 -8.6647 -8.6647 -8.6399 -8.6399 -3.3283 -3.3283 -3.2850 -3.2850 -1.2924 -1.2924 -1.2267 -1.2267 -1.0424 -1.0424 2.6786 2.6786 4.6712 4.6712 4.9360 4.9360 5.2875 5.2875 6.7141 6.7141 6.8093 6.8093 10.7714 10.7714 13.9860 13.9860 14.9445 14.9445 16.7734 16.7734 k = 0.6512-0.3546-0.9293 ( 3344 PWs) bands (ev): -41.5062 -41.5062 -13.6109 -13.6109 -13.4418 -13.4418 -13.4261 -13.4261 -8.6698 -8.6698 -8.6359 -8.6359 -3.3366 -3.3366 -3.2778 -3.2778 -1.2954 -1.2954 -1.2273 -1.2273 -1.0395 -1.0395 2.6726 2.6726 4.6488 4.6488 4.9368 4.9368 5.3208 5.3208 6.7398 6.7398 6.7975 6.7975 10.7591 10.7591 13.9509 13.9509 14.9737 14.9737 16.7697 16.7697 k = 0.6460-0.3372-0.9293 ( 3342 PWs) bands (ev): -41.5062 -41.5062 -13.6110 -13.6110 -13.4422 -13.4422 -13.4253 -13.4253 -8.6756 -8.6756 -8.6313 -8.6313 -3.3459 -3.3459 -3.2701 -3.2701 -1.3000 -1.3000 -1.2278 -1.2278 -1.0352 -1.0352 2.6663 2.6663 4.6198 4.6198 4.9463 4.9463 5.3552 5.3552 6.7636 6.7636 6.7887 6.7887 10.7448 10.7448 13.9042 13.9042 15.0186 15.0186 16.7658 16.7658 k = 0.6407-0.3198-0.9293 ( 3348 PWs) bands (ev): -41.5062 -41.5062 -13.6111 -13.6111 -13.4429 -13.4429 -13.4242 -13.4242 -8.6821 -8.6821 -8.6265 -8.6265 -3.3559 -3.3559 -3.2623 -3.2623 -1.3063 -1.3063 -1.2280 -1.2280 -1.0298 -1.0298 2.6600 2.6600 4.5862 4.5862 4.9626 4.9626 5.3900 5.3900 6.7724 6.7724 6.7959 6.7959 10.7286 10.7286 13.8482 13.8482 15.0766 15.0766 16.7620 16.7620 k = 0.6355-0.3024-0.9293 ( 3344 PWs) bands (ev): -41.5062 -41.5062 -13.6112 -13.6112 -13.4435 -13.4435 -13.4230 -13.4230 -8.6890 -8.6890 -8.6215 -8.6215 -3.3662 -3.3662 -3.2544 -3.2544 -1.3141 -1.3141 -1.2277 -1.2277 -1.0234 -1.0234 2.6535 2.6535 4.5496 4.5496 4.9841 4.9841 5.4249 5.4249 6.7670 6.7670 6.8185 6.8185 10.7106 10.7106 13.7851 13.7851 15.1453 15.1453 16.7586 16.7586 k = 0.6303-0.2850-0.9293 ( 3350 PWs) bands (ev): -41.5063 -41.5063 -13.6114 -13.6114 -13.4442 -13.4442 -13.4218 -13.4218 -8.6962 -8.6962 -8.6164 -8.6164 -3.3769 -3.3769 -3.2467 -3.2467 -1.3235 -1.3235 -1.2269 -1.2269 -1.0162 -1.0162 2.6472 2.6472 4.5114 4.5114 5.0096 5.0096 5.4594 5.4594 6.7621 6.7621 6.8421 6.8421 10.6909 10.6909 13.7170 13.7170 15.2226 15.2226 16.7557 16.7557 k = 0.6251-0.2676-0.9293 ( 3350 PWs) bands (ev): -41.5063 -41.5063 -13.6117 -13.6117 -13.4450 -13.4450 -13.4204 -13.4204 -8.7038 -8.7038 -8.6112 -8.6112 -3.3878 -3.3878 -3.2391 -3.2391 -1.3340 -1.3340 -1.2255 -1.2255 -1.0084 -1.0084 2.6409 2.6409 4.4722 4.4722 5.0382 5.0382 5.4932 5.4932 6.7591 6.7591 6.8653 6.8653 10.6694 10.6694 13.6453 13.6453 15.3065 15.3065 16.7536 16.7536 k = 0.6199-0.2502-0.9293 ( 3346 PWs) bands (ev): -41.5063 -41.5063 -13.6119 -13.6119 -13.4457 -13.4457 -13.4188 -13.4188 -8.7115 -8.7115 -8.6059 -8.6059 -3.3988 -3.3988 -3.2317 -3.2317 -1.3454 -1.3454 -1.2236 -1.2236 -1.0002 -1.0002 2.6347 2.6347 4.4328 4.4328 5.0693 5.0693 5.5258 5.5258 6.7586 6.7586 6.8878 6.8878 10.6464 10.6464 13.5712 13.5712 15.3957 15.3957 16.7527 16.7527 k = 0.6147-0.2328-0.9293 ( 3346 PWs) bands (ev): -41.5063 -41.5063 -13.6122 -13.6122 -13.4464 -13.4464 -13.4173 -13.4173 -8.7194 -8.7194 -8.6007 -8.6007 -3.4099 -3.4099 -3.2245 -3.2245 -1.3575 -1.3575 -1.2214 -1.2214 -0.9916 -0.9916 2.6287 2.6287 4.3935 4.3935 5.1023 5.1023 5.5570 5.5570 6.7607 6.7607 6.9095 6.9095 10.6219 10.6219 13.4957 13.4957 15.4885 15.4885 16.7534 16.7534 k = 0.6095-0.2154-0.9293 ( 3352 PWs) bands (ev): -41.5064 -41.5064 -13.6125 -13.6125 -13.4472 -13.4472 -13.4157 -13.4157 -8.7273 -8.7273 -8.5954 -8.5954 -3.4211 -3.4211 -3.2176 -3.2176 -1.3701 -1.3701 -1.2190 -1.2190 -0.9828 -0.9828 2.6230 2.6230 4.3547 4.3547 5.1368 5.1368 5.5863 5.5863 6.7656 6.7656 6.9303 6.9303 10.5962 10.5962 13.4194 13.4194 15.5837 15.5837 16.7562 16.7562 k = 0.6043-0.1980-0.9293 ( 3352 PWs) bands (ev): -41.5064 -41.5064 -13.6128 -13.6128 -13.4479 -13.4479 -13.4140 -13.4140 -8.7353 -8.7353 -8.5902 -8.5902 -3.4323 -3.4323 -3.2109 -3.2109 -1.3829 -1.3829 -1.2163 -1.2163 -0.9739 -0.9739 2.6175 2.6175 4.3166 4.3166 5.1725 5.1725 5.6136 5.6136 6.7735 6.7735 6.9502 6.9502 10.5692 10.5692 13.3431 13.3431 15.6799 15.6799 16.7620 16.7620 k = 0.5990-0.1807-0.9293 ( 3350 PWs) bands (ev): -41.5065 -41.5065 -13.6132 -13.6132 -13.4486 -13.4486 -13.4124 -13.4124 -8.7433 -8.7433 -8.5851 -8.5851 -3.4433 -3.4433 -3.2045 -3.2045 -1.3957 -1.3957 -1.2134 -1.2134 -0.9650 -0.9650 2.6123 2.6123 4.2795 4.2795 5.2090 5.2090 5.6386 5.6386 6.7844 6.7844 6.9692 6.9692 10.5413 10.5413 13.2672 13.2672 15.7754 15.7754 16.7716 16.7716 k = 0.5938-0.1633-0.9293 ( 3354 PWs) bands (ev): -41.5065 -41.5065 -13.6136 -13.6136 -13.4493 -13.4493 -13.4107 -13.4107 -8.7512 -8.7512 -8.5801 -8.5801 -3.4542 -3.4542 -3.1984 -3.1984 -1.4086 -1.4086 -1.2104 -1.2104 -0.9562 -0.9562 2.6073 2.6073 4.2434 4.2434 5.2460 5.2460 5.6613 5.6613 6.7982 6.7982 6.9871 6.9871 10.5126 10.5126 13.1922 13.1922 15.8686 15.8686 16.7863 16.7863 k = 0.5886-0.1459-0.9293 ( 3354 PWs) bands (ev): -41.5065 -41.5065 -13.6140 -13.6140 -13.4500 -13.4500 -13.4090 -13.4090 -8.7590 -8.7590 -8.5752 -8.5752 -3.4649 -3.4649 -3.1926 -3.1926 -1.4213 -1.4213 -1.2074 -1.2074 -0.9475 -0.9475 2.6026 2.6026 4.2085 4.2085 5.2833 5.2833 5.6816 5.6816 6.8147 6.8147 7.0041 7.0041 10.4833 10.4833 13.1185 13.1185 15.9574 15.9574 16.8076 16.8076 k = 0.5834-0.1285-0.9293 ( 3348 PWs) bands (ev): -41.5066 -41.5066 -13.6144 -13.6144 -13.4506 -13.4506 -13.4073 -13.4073 -8.7666 -8.7666 -8.5704 -8.5704 -3.4753 -3.4753 -3.1871 -3.1871 -1.4336 -1.4336 -1.2043 -1.2043 -0.9389 -0.9389 2.5983 2.5983 4.1749 4.1749 5.3205 5.3205 5.6995 5.6995 6.8338 6.8338 7.0201 7.0201 10.4536 10.4536 13.0465 13.0465 16.0395 16.0395 16.8375 16.8375 k = 0.5782-0.1111-0.9293 ( 3350 PWs) bands (ev): -41.5066 -41.5066 -13.6148 -13.6148 -13.4512 -13.4512 -13.4057 -13.4057 -8.7740 -8.7740 -8.5658 -8.5658 -3.4854 -3.4854 -3.1819 -3.1819 -1.4457 -1.4457 -1.2012 -1.2012 -0.9307 -0.9307 2.5942 2.5942 4.1429 4.1429 5.3572 5.3572 5.7151 5.7151 6.8550 6.8550 7.0351 7.0351 10.4238 10.4238 12.9765 12.9765 16.1127 16.1127 16.8775 16.8775 k = 0.5730-0.0937-0.9293 ( 3350 PWs) bands (ev): -41.5067 -41.5067 -13.6152 -13.6152 -13.4518 -13.4518 -13.4041 -13.4041 -8.7811 -8.7811 -8.5614 -8.5614 -3.4951 -3.4951 -3.1771 -3.1771 -1.4572 -1.4572 -1.1982 -1.1982 -0.9227 -0.9227 2.5904 2.5904 4.1124 4.1124 5.3931 5.3931 5.7287 5.7287 6.8781 6.8781 7.0490 7.0490 10.3941 10.3941 12.9088 12.9088 16.1753 16.1753 16.9292 16.9292 k = 0.5678-0.0763-0.9293 ( 3354 PWs) bands (ev): -41.5067 -41.5067 -13.6156 -13.6156 -13.4524 -13.4524 -13.4026 -13.4026 -8.7879 -8.7879 -8.5572 -8.5572 -3.5044 -3.5044 -3.1726 -3.1726 -1.4683 -1.4683 -1.1952 -1.1952 -0.9150 -0.9150 2.5870 2.5870 4.0835 4.0835 5.4279 5.4279 5.7406 5.7406 6.9025 6.9025 7.0619 7.0619 10.3647 10.3647 12.8440 12.8440 16.2263 16.2263 16.9927 16.9927 k = 0.5626-0.0589-0.9293 ( 3356 PWs) bands (ev): -41.5067 -41.5067 -13.6160 -13.6160 -13.4529 -13.4529 -13.4011 -13.4011 -8.7944 -8.7944 -8.5533 -8.5533 -3.5132 -3.5132 -3.1684 -3.1684 -1.4787 -1.4787 -1.1924 -1.1924 -0.9078 -0.9078 2.5838 2.5838 4.0564 4.0564 5.4612 5.4612 5.7509 5.7509 6.9277 6.9277 7.0739 7.0739 10.3360 10.3360 12.7821 12.7821 16.2664 16.2664 17.0673 17.0673 k = 0.5573-0.0415-0.9293 ( 3356 PWs) bands (ev): -41.5068 -41.5068 -13.6164 -13.6164 -13.4534 -13.4534 -13.3997 -13.3997 -8.8004 -8.8004 -8.5495 -8.5495 -3.5215 -3.5215 -3.1645 -3.1645 -1.4885 -1.4885 -1.1896 -1.1896 -0.9009 -0.9009 2.5809 2.5809 4.0312 4.0312 5.4925 5.4925 5.7601 5.7601 6.9532 6.9532 7.0849 7.0849 10.3082 10.3082 12.7237 12.7237 16.2968 16.2968 17.1513 17.1513 k = 0.5521-0.0241-0.9293 ( 3362 PWs) bands (ev): -41.5068 -41.5068 -13.6168 -13.6168 -13.4539 -13.4539 -13.3985 -13.3985 -8.8061 -8.8061 -8.5461 -8.5461 -3.5293 -3.5293 -3.1610 -3.1610 -1.4977 -1.4977 -1.1871 -1.1871 -0.8946 -0.8946 2.5782 2.5782 4.0079 4.0079 5.5216 5.5216 5.7685 5.7685 6.9785 6.9785 7.0950 7.0950 10.2816 10.2816 12.6690 12.6690 16.3194 16.3194 17.2422 17.2422 k = 0.5469-0.0067-0.9293 ( 3362 PWs) bands (ev): -41.5068 -41.5068 -13.6171 -13.6171 -13.4543 -13.4543 -13.3973 -13.3973 -8.8113 -8.8113 -8.5429 -8.5429 -3.5364 -3.5364 -3.1578 -3.1578 -1.5060 -1.5060 -1.1847 -1.1847 -0.8887 -0.8887 2.5759 2.5759 3.9866 3.9866 5.5480 5.5480 5.7763 5.7763 7.0029 7.0029 7.1043 7.1043 10.2565 10.2565 12.6183 12.6183 16.3358 16.3358 17.3381 17.3381 k = 0.5417 0.0107-0.9293 ( 3362 PWs) bands (ev): -41.5069 -41.5069 -13.6174 -13.6174 -13.4546 -13.4546 -13.3962 -13.3962 -8.8161 -8.8161 -8.5400 -8.5400 -3.5429 -3.5429 -3.1550 -3.1550 -1.5136 -1.5136 -1.1824 -1.1824 -0.8833 -0.8833 2.5738 2.5738 3.9673 3.9673 5.5715 5.5715 5.7838 5.7838 7.0260 7.0260 7.1129 7.1129 10.2331 10.2331 12.5719 12.5719 16.3477 16.3477 17.4369 17.4369 k = 0.5365 0.0281-0.9293 ( 3356 PWs) bands (ev): -41.5069 -41.5069 -13.6177 -13.6177 -13.4549 -13.4549 -13.3951 -13.3951 -8.8203 -8.8203 -8.5374 -8.5374 -3.5487 -3.5487 -3.1525 -3.1525 -1.5204 -1.5204 -1.1804 -1.1804 -0.8785 -0.8785 2.5720 2.5720 3.9502 3.9502 5.5918 5.5918 5.7912 5.7912 7.0471 7.0471 7.1208 7.1208 10.2118 10.2118 12.5302 12.5302 16.3562 16.3562 17.5370 17.5370 k = 0.5313 0.0455-0.9293 ( 3360 PWs) bands (ev): -41.5069 -41.5069 -13.6180 -13.6180 -13.4552 -13.4552 -13.3943 -13.3943 -8.8241 -8.8241 -8.5351 -8.5351 -3.5538 -3.5538 -3.1503 -3.1503 -1.5263 -1.5263 -1.1786 -1.1786 -0.8743 -0.8743 2.5704 2.5704 3.9352 3.9352 5.6088 5.6088 5.7985 5.7985 7.0656 7.0656 7.1283 7.1283 10.1927 10.1927 12.4934 12.4934 16.3623 16.3623 17.6371 17.6371 k = 0.5261 0.0629-0.9293 ( 3356 PWs) bands (ev): -41.5069 -41.5069 -13.6182 -13.6182 -13.4554 -13.4554 -13.3935 -13.3935 -8.8273 -8.8273 -8.5332 -8.5332 -3.5582 -3.5582 -3.1485 -3.1485 -1.5314 -1.5314 -1.1771 -1.1771 -0.8707 -0.8707 2.5691 2.5691 3.9225 3.9225 5.6225 5.6225 5.8055 5.8055 7.0812 7.0812 7.1354 7.1354 10.1761 10.1761 12.4618 12.4618 16.3665 16.3665 17.7358 17.7358 k = 0.5209 0.0803-0.9293 ( 3358 PWs) bands (ev): -41.5069 -41.5069 -13.6184 -13.6184 -13.4556 -13.4556 -13.3929 -13.3929 -8.8299 -8.8299 -8.5316 -8.5316 -3.5618 -3.5618 -3.1470 -3.1470 -1.5355 -1.5355 -1.1758 -1.1758 -0.8677 -0.8677 2.5680 2.5680 3.9120 3.9120 5.6332 5.6332 5.8119 5.8119 7.0935 7.0935 7.1421 7.1421 10.1622 10.1622 12.4357 12.4357 16.3694 16.3694 17.8320 17.8320 k = 0.5156 0.0977-0.9293 ( 3358 PWs) bands (ev): -41.5069 -41.5069 -13.6185 -13.6185 -13.4558 -13.4558 -13.3924 -13.3924 -8.8320 -8.8320 -8.5303 -8.5303 -3.5646 -3.5646 -3.1458 -3.1458 -1.5388 -1.5388 -1.1748 -1.1748 -0.8654 -0.8654 2.5672 2.5672 3.9038 3.9038 5.6411 5.6411 5.8174 5.8174 7.1025 7.1025 7.1482 7.1482 10.1512 10.1512 12.4151 12.4151 16.3713 16.3713 17.9241 17.9241 k = 0.5104 0.1151-0.9293 ( 3350 PWs) bands (ev): -41.5069 -41.5069 -13.6186 -13.6186 -13.4558 -13.4558 -13.3920 -13.3920 -8.8334 -8.8334 -8.5295 -8.5295 -3.5666 -3.5666 -3.1449 -3.1449 -1.5411 -1.5411 -1.1741 -1.1741 -0.8637 -0.8637 2.5666 2.5666 3.8980 3.8980 5.6466 5.6466 5.8217 5.8217 7.1085 7.1085 7.1532 7.1532 10.1432 10.1432 12.4003 12.4003 16.3726 16.3726 18.0090 18.0090 k = 0.5052 0.1324-0.9293 ( 3350 PWs) bands (ev): -41.5069 -41.5069 -13.6187 -13.6187 -13.4559 -13.4559 -13.3918 -13.3918 -8.8343 -8.8343 -8.5289 -8.5289 -3.5679 -3.5679 -3.1444 -3.1444 -1.5425 -1.5425 -1.1736 -1.1736 -0.8627 -0.8627 2.5663 2.5663 3.8945 3.8945 5.6497 5.6497 5.8244 5.8244 7.1119 7.1119 7.1564 7.1564 10.1384 10.1384 12.3913 12.3913 16.3733 16.3733 18.0784 18.0784 k = 0.5000 0.1498-0.9293 ( 3354 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4560 -13.4560 -13.3917 -13.3917 -8.8346 -8.8346 -8.5287 -8.5287 -3.5683 -3.5683 -3.1443 -3.1443 -1.5430 -1.5430 -1.1735 -1.1735 -0.8623 -0.8623 2.5661 2.5661 3.8933 3.8933 5.6507 5.6507 5.8253 5.8253 7.1129 7.1129 7.1575 7.1575 10.1368 10.1368 12.3883 12.3883 16.3735 16.3735 18.1092 18.1092 k = 0.5000 0.1498-0.9293 ( 3354 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4560 -13.4560 -13.3917 -13.3917 -8.8346 -8.8346 -8.5287 -8.5287 -3.5683 -3.5683 -3.1443 -3.1443 -1.5430 -1.5430 -1.1735 -1.1735 -0.8623 -0.8623 2.5661 2.5661 3.8933 3.8933 5.6507 5.6507 5.8253 5.8253 7.1129 7.1129 7.1575 7.1575 10.1368 10.1368 12.3883 12.3883 16.3735 16.3735 18.1092 18.1092 k = 0.5142 0.1541-0.9210 ( 3352 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4559 -13.4559 -13.3917 -13.3917 -8.8346 -8.8346 -8.5288 -8.5288 -3.5683 -3.5683 -3.1443 -3.1443 -1.5430 -1.5430 -1.1735 -1.1735 -0.8624 -0.8624 2.5664 2.5664 3.8940 3.8940 5.6506 5.6506 5.8252 5.8252 7.1119 7.1119 7.1566 7.1566 10.1375 10.1375 12.3904 12.3904 16.3726 16.3726 18.1095 18.1095 k = 0.5284 0.1584-0.9126 ( 3352 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4559 -13.4559 -13.3917 -13.3917 -8.8345 -8.8345 -8.5290 -8.5290 -3.5682 -3.5682 -3.1444 -3.1444 -1.5430 -1.5430 -1.1735 -1.1735 -0.8627 -0.8627 2.5670 2.5670 3.8961 3.8961 5.6503 5.6503 5.8248 5.8248 7.1088 7.1088 7.1541 7.1541 10.1396 10.1396 12.3968 12.3968 16.3699 16.3699 18.1103 18.1103 k = 0.5426 0.1626-0.9043 ( 3351 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4559 -13.4559 -13.3917 -13.3917 -8.8343 -8.8343 -8.5294 -8.5294 -3.5682 -3.5682 -3.1446 -3.1446 -1.5430 -1.5430 -1.1736 -1.1736 -0.8632 -0.8632 2.5681 2.5681 3.8996 3.8996 5.6498 5.6498 5.8242 5.8242 7.1032 7.1032 7.1503 7.1503 10.1431 10.1431 12.4074 12.4074 16.3655 16.3655 18.1115 18.1115 k = 0.5569 0.1669-0.8960 ( 3359 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4560 -13.4560 -13.3918 -13.3918 -8.8341 -8.8341 -8.5300 -8.5300 -3.5682 -3.5682 -3.1449 -3.1449 -1.5431 -1.5431 -1.1737 -1.1737 -0.8638 -0.8638 2.5696 2.5696 3.9044 3.9044 5.6490 5.6490 5.8235 5.8235 7.0946 7.0946 7.1457 7.1457 10.1479 10.1479 12.4220 12.4220 16.3594 16.3594 18.1131 18.1131 k = 0.5711 0.1711-0.8876 ( 3359 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4560 -13.4560 -13.3918 -13.3918 -8.8337 -8.8337 -8.5307 -8.5307 -3.5681 -3.5681 -3.1453 -3.1453 -1.5432 -1.5432 -1.1737 -1.1737 -0.8646 -0.8646 2.5716 2.5716 3.9106 3.9106 5.6479 5.6479 5.8227 5.8227 7.0829 7.0829 7.1408 7.1408 10.1540 10.1540 12.4406 12.4406 16.3518 16.3518 18.1149 18.1149 k = 0.5853 0.1754-0.8793 ( 3361 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4560 -13.4560 -13.3918 -13.3918 -8.8333 -8.8333 -8.5316 -8.5316 -3.5681 -3.5681 -3.1457 -3.1457 -1.5433 -1.5433 -1.1738 -1.1738 -0.8656 -0.8656 2.5740 2.5740 3.9181 3.9181 5.6465 5.6465 5.8219 5.8219 7.0678 7.0678 7.1359 7.1359 10.1613 10.1613 12.4629 12.4629 16.3428 16.3428 18.1167 18.1167 k = 0.5995 0.1797-0.8710 ( 3363 PWs) bands (ev): -41.5070 -41.5070 -13.6186 -13.6186 -13.4560 -13.4560 -13.3918 -13.3918 -8.8329 -8.8329 -8.5326 -8.5326 -3.5680 -3.5680 -3.1462 -3.1462 -1.5433 -1.5433 -1.1739 -1.1739 -0.8668 -0.8668 2.5767 2.5767 3.9268 3.9268 5.6447 5.6447 5.8213 5.8213 7.0496 7.0496 7.1311 7.1311 10.1697 10.1697 12.4887 12.4887 16.3324 16.3324 18.1183 18.1183 k = 0.6137 0.1839-0.8626 ( 3365 PWs) bands (ev): -41.5070 -41.5070 -13.6186 -13.6186 -13.4560 -13.4560 -13.3918 -13.3918 -8.8324 -8.8324 -8.5337 -8.5337 -3.5680 -3.5680 -3.1468 -3.1468 -1.5435 -1.5435 -1.1741 -1.1741 -0.8681 -0.8681 2.5799 2.5799 3.9366 3.9366 5.6424 5.6424 5.8209 5.8209 7.0284 7.0284 7.1263 7.1263 10.1792 10.1792 12.5178 12.5178 16.3208 16.3208 18.1196 18.1196 k = 0.6279 0.1882-0.8543 ( 3362 PWs) bands (ev): -41.5070 -41.5070 -13.6185 -13.6185 -13.4560 -13.4560 -13.3918 -13.3918 -8.8318 -8.8318 -8.5350 -8.5350 -3.5679 -3.5679 -3.1474 -3.1474 -1.5436 -1.5436 -1.1742 -1.1742 -0.8695 -0.8695 2.5834 2.5834 3.9475 3.9475 5.6396 5.6396 5.8209 5.8209 7.0048 7.0048 7.1214 7.1214 10.1897 10.1897 12.5500 12.5500 16.3083 16.3083 18.1204 18.1204 k = 0.6422 0.1924-0.8460 ( 3361 PWs) bands (ev): -41.5070 -41.5070 -13.6185 -13.6185 -13.4560 -13.4560 -13.3918 -13.3918 -8.8312 -8.8312 -8.5365 -8.5365 -3.5678 -3.5678 -3.1481 -3.1481 -1.5437 -1.5437 -1.1744 -1.1744 -0.8711 -0.8711 2.5872 2.5872 3.9594 3.9594 5.6363 5.6363 5.8214 5.8214 6.9789 6.9789 7.1164 7.1164 10.2010 10.2010 12.5848 12.5848 16.2949 16.2949 18.1207 18.1207 k = 0.6564 0.1967-0.8376 ( 3359 PWs) bands (ev): -41.5070 -41.5070 -13.6184 -13.6184 -13.4560 -13.4560 -13.3918 -13.3918 -8.8305 -8.8305 -8.5381 -8.5381 -3.5677 -3.5677 -3.1488 -3.1488 -1.5438 -1.5438 -1.1746 -1.1746 -0.8728 -0.8728 2.5914 2.5914 3.9722 3.9722 5.6324 5.6324 5.8223 5.8223 6.9511 6.9511 7.1113 7.1113 10.2131 10.2131 12.6221 12.6221 16.2808 16.2808 18.1203 18.1203 k = 0.6564 0.1967-0.8376 ( 3359 PWs) bands (ev): -41.5070 -41.5070 -13.6184 -13.6184 -13.4560 -13.4560 -13.3918 -13.3918 -8.8305 -8.8305 -8.5381 -8.5381 -3.5677 -3.5677 -3.1488 -3.1488 -1.5438 -1.5438 -1.1746 -1.1746 -0.8728 -0.8728 2.5914 2.5914 3.9722 3.9722 5.6324 5.6324 5.8223 5.8223 6.9511 6.9511 7.1113 7.1113 10.2131 10.2131 12.6221 12.6221 16.2808 16.2808 18.1203 18.1203 k = 0.6533 0.1958-0.8194 ( 3355 PWs) bands (ev): -41.5071 -41.5071 -13.6180 -13.6180 -13.4559 -13.4559 -13.3918 -13.3918 -8.8319 -8.8319 -8.5403 -8.5403 -3.5674 -3.5674 -3.1513 -3.1513 -1.5441 -1.5441 -1.1754 -1.1754 -0.8786 -0.8786 2.5795 2.5795 3.9933 3.9933 5.6493 5.6493 5.8334 5.8334 6.9325 6.9325 7.1105 7.1105 10.2066 10.2066 12.6533 12.6533 16.2498 16.2498 18.1284 18.1284 k = 0.6502 0.1949-0.8012 ( 3355 PWs) bands (ev): -41.5071 -41.5071 -13.6175 -13.6175 -13.4557 -13.4557 -13.3917 -13.3917 -8.8332 -8.8332 -8.5436 -8.5436 -3.5671 -3.5671 -3.1543 -3.1543 -1.5443 -1.5443 -1.1765 -1.1765 -0.8858 -0.8858 2.5659 2.5659 4.0196 4.0196 5.6664 5.6664 5.8461 5.8461 6.9128 6.9128 7.1099 7.1099 10.2002 10.2002 12.6897 12.6897 16.2130 16.2130 18.1394 18.1394 k = 0.6472 0.1939-0.7830 ( 3357 PWs) bands (ev): -41.5072 -41.5072 -13.6169 -13.6169 -13.4555 -13.4555 -13.3917 -13.3917 -8.8345 -8.8345 -8.5480 -8.5480 -3.5668 -3.5668 -3.1579 -3.1579 -1.5445 -1.5445 -1.1779 -1.1779 -0.8941 -0.8941 2.5510 2.5510 4.0507 4.0507 5.6839 5.6839 5.8601 5.8601 6.8919 6.8919 7.1093 7.1093 10.1937 10.1937 12.7310 12.7310 16.1710 16.1710 18.1535 18.1535 k = 0.6441 0.1930-0.7647 ( 3361 PWs) bands (ev): -41.5072 -41.5072 -13.6163 -13.6163 -13.4553 -13.4553 -13.3916 -13.3916 -8.8357 -8.8357 -8.5534 -8.5534 -3.5664 -3.5664 -3.1622 -3.1622 -1.5447 -1.5447 -1.1796 -1.1796 -0.9036 -0.9036 2.5350 2.5350 4.0863 4.0863 5.7018 5.7018 5.8753 5.8753 6.8700 6.8700 7.1088 7.1088 10.1872 10.1872 12.7771 12.7771 16.1239 16.1239 18.1707 18.1707 k = 0.6410 0.1921-0.7465 ( 3355 PWs) bands (ev): -41.5073 -41.5073 -13.6156 -13.6156 -13.4550 -13.4550 -13.3915 -13.3915 -8.8369 -8.8369 -8.5598 -8.5598 -3.5659 -3.5659 -3.1669 -3.1669 -1.5448 -1.5448 -1.1816 -1.1816 -0.9141 -0.9141 2.5184 2.5184 4.1263 4.1263 5.7200 5.7200 5.8915 5.8915 6.8470 6.8470 7.1084 7.1084 10.1807 10.1807 12.8280 12.8280 16.0723 16.0723 18.1909 18.1909 k = 0.6380 0.1912-0.7283 ( 3352 PWs) bands (ev): -41.5074 -41.5074 -13.6148 -13.6148 -13.4547 -13.4547 -13.3913 -13.3913 -8.8380 -8.8380 -8.5671 -8.5671 -3.5654 -3.5654 -3.1723 -3.1723 -1.5448 -1.5448 -1.1838 -1.1838 -0.9257 -0.9257 2.5015 2.5015 4.1702 4.1702 5.7387 5.7387 5.9086 5.9086 6.8231 6.8231 7.1080 7.1080 10.1741 10.1741 12.8833 12.8833 16.0167 16.0167 18.2139 18.2139 k = 0.6349 0.1903-0.7101 ( 3350 PWs) bands (ev): -41.5075 -41.5075 -13.6139 -13.6139 -13.4543 -13.4543 -13.3911 -13.3911 -8.8392 -8.8392 -8.5752 -8.5752 -3.5649 -3.5649 -3.1782 -3.1782 -1.5449 -1.5449 -1.1864 -1.1864 -0.9382 -0.9382 2.4845 2.4845 4.2179 4.2179 5.7577 5.7577 5.9262 5.9262 6.7984 6.7984 7.1078 7.1078 10.1672 10.1672 12.9430 12.9430 15.9576 15.9576 18.2393 18.2393 k = 0.6318 0.1894-0.6918 ( 3352 PWs) bands (ev): -41.5076 -41.5076 -13.6131 -13.6131 -13.4539 -13.4539 -13.3909 -13.3909 -8.8404 -8.8404 -8.5841 -8.5841 -3.5643 -3.5643 -3.1847 -3.1847 -1.5449 -1.5449 -1.1892 -1.1892 -0.9515 -0.9515 2.4677 2.4677 4.2690 4.2690 5.7772 5.7772 5.9443 5.9443 6.7728 6.7728 7.1077 7.1077 10.1600 10.1600 13.0067 13.0067 15.8955 15.8955 18.2666 18.2666 k = 0.6288 0.1884-0.6736 ( 3351 PWs) bands (ev): -41.5077 -41.5077 -13.6122 -13.6122 -13.4535 -13.4535 -13.3907 -13.3907 -8.8418 -8.8418 -8.5937 -8.5937 -3.5638 -3.5638 -3.1917 -3.1917 -1.5447 -1.5447 -1.1924 -1.1924 -0.9656 -0.9656 2.4515 2.4515 4.3233 4.3233 5.7971 5.7971 5.9627 5.9627 6.7467 6.7467 7.1078 7.1078 10.1523 10.1523 13.0741 13.0741 15.8311 15.8311 18.2949 18.2949 k = 0.6257 0.1875-0.6554 ( 3353 PWs) bands (ev): -41.5079 -41.5079 -13.6112 -13.6112 -13.4530 -13.4530 -13.3905 -13.3905 -8.8433 -8.8433 -8.6038 -8.6038 -3.5633 -3.5633 -3.1993 -3.1993 -1.5446 -1.5446 -1.1960 -1.1960 -0.9803 -0.9803 2.4359 2.4359 4.3806 4.3806 5.8173 5.8173 5.9811 5.9811 6.7199 6.7199 7.1080 7.1080 10.1441 10.1441 13.1448 13.1448 15.7652 15.7652 18.3229 18.3229 k = 0.6227 0.1866-0.6372 ( 3349 PWs) bands (ev): -41.5080 -41.5080 -13.6102 -13.6102 -13.4525 -13.4525 -13.3901 -13.3901 -8.8450 -8.8450 -8.6145 -8.6145 -3.5628 -3.5628 -3.2074 -3.2074 -1.5443 -1.5443 -1.2000 -1.2000 -0.9955 -0.9955 2.4212 2.4212 4.4406 4.4406 5.8379 5.8379 5.9995 5.9995 6.6929 6.6929 7.1084 7.1084 10.1352 10.1352 13.2181 13.2181 15.6985 15.6985 18.3488 18.3488 k = 0.6196 0.1857-0.6190 ( 3351 PWs) bands (ev): -41.5081 -41.5081 -13.6093 -13.6093 -13.4519 -13.4519 -13.3898 -13.3898 -8.8469 -8.8469 -8.6255 -8.6255 -3.5624 -3.5624 -3.2160 -3.2160 -1.5440 -1.5440 -1.2043 -1.2043 -1.0111 -1.0111 2.4076 2.4076 4.5031 4.5031 5.8587 5.8587 6.0177 6.0177 6.6656 6.6656 7.1089 7.1089 10.1256 10.1256 13.2932 13.2932 15.6320 15.6320 18.3706 18.3706 k = 0.6165 0.1848-0.6007 ( 3349 PWs) bands (ev): -41.5083 -41.5083 -13.6083 -13.6083 -13.4512 -13.4512 -13.3894 -13.3894 -8.8492 -8.8492 -8.6368 -8.6368 -3.5621 -3.5621 -3.2250 -3.2250 -1.5436 -1.5436 -1.2090 -1.2090 -1.0270 -1.0270 2.3952 2.3952 4.5679 4.5679 5.8796 5.8796 6.0356 6.0356 6.6383 6.6383 7.1096 7.1096 10.1151 10.1151 13.3692 13.3692 15.5670 15.5670 18.3874 18.3874 k = 0.6135 0.1838-0.5825 ( 3351 PWs) bands (ev): -41.5084 -41.5084 -13.6073 -13.6073 -13.4505 -13.4505 -13.3890 -13.3890 -8.8519 -8.8519 -8.6483 -8.6483 -3.5618 -3.5618 -3.2346 -3.2346 -1.5432 -1.5432 -1.2142 -1.2142 -1.0430 -1.0430 2.3842 2.3842 4.6348 4.6348 5.9005 5.9005 6.0530 6.0530 6.6114 6.6114 7.1105 7.1105 10.1037 10.1037 13.4447 13.4447 15.5049 15.5049 18.3994 18.3994 k = 0.6104 0.1829-0.5643 ( 3349 PWs) bands (ev): -41.5086 -41.5086 -13.6064 -13.6064 -13.4498 -13.4498 -13.3885 -13.3885 -8.8551 -8.8551 -8.6597 -8.6597 -3.5616 -3.5616 -3.2445 -3.2445 -1.5427 -1.5427 -1.2199 -1.2199 -1.0591 -1.0591 2.3746 2.3746 4.7035 4.7035 5.9212 5.9212 6.0698 6.0698 6.5850 6.5850 7.1117 7.1117 10.0913 10.0913 13.5182 13.5182 15.4474 15.4474 18.4072 18.4072 k = 0.6073 0.1820-0.5461 ( 3344 PWs) bands (ev): -41.5087 -41.5087 -13.6055 -13.6055 -13.4490 -13.4490 -13.3879 -13.3879 -8.8589 -8.8589 -8.6710 -8.6710 -3.5615 -3.5615 -3.2548 -3.2548 -1.5423 -1.5423 -1.2261 -1.2261 -1.0749 -1.0749 2.3665 2.3665 4.7739 4.7739 5.9415 5.9415 6.0858 6.0858 6.5596 6.5596 7.1132 7.1132 10.0778 10.0778 13.5873 13.5873 15.3969 15.3969 18.4116 18.4116 k = 0.6043 0.1811-0.5278 ( 3346 PWs) bands (ev): -41.5089 -41.5089 -13.6046 -13.6046 -13.4481 -13.4481 -13.3873 -13.3873 -8.8634 -8.8634 -8.6820 -8.6820 -3.5615 -3.5615 -3.2655 -3.2655 -1.5418 -1.5418 -1.2329 -1.2329 -1.0905 -1.0905 2.3600 2.3600 4.8458 4.8458 5.9609 5.9609 6.1011 6.1011 6.5357 6.5357 7.1149 7.1149 10.0632 10.0632 13.6496 13.6496 15.3560 15.3560 18.4129 18.4129 k = 0.6012 0.1802-0.5096 ( 3336 PWs) bands (ev): -41.5091 -41.5091 -13.6038 -13.6038 -13.4471 -13.4471 -13.3866 -13.3866 -8.8687 -8.8687 -8.6925 -8.6925 -3.5616 -3.5616 -3.2764 -3.2764 -1.5414 -1.5414 -1.2403 -1.2403 -1.1055 -1.1055 2.3551 2.3551 4.9188 4.9188 5.9791 5.9791 6.1157 6.1157 6.5137 6.5137 7.1169 7.1169 10.0474 10.0474 13.7019 13.7019 15.3278 15.3278 18.4114 18.4114 k = 0.5981 0.1792-0.4914 ( 3341 PWs) bands (ev): -41.5093 -41.5093 -13.6031 -13.6031 -13.4462 -13.4462 -13.3858 -13.3858 -8.8748 -8.8748 -8.7025 -8.7025 -3.5620 -3.5620 -3.2876 -3.2876 -1.5411 -1.5411 -1.2483 -1.2483 -1.1200 -1.1200 2.3518 2.3518 4.9927 4.9927 5.9954 5.9954 6.1295 6.1295 6.4942 6.4942 7.1193 7.1193 10.0305 10.0305 13.7410 13.7410 15.3155 15.3155 18.4074 18.4074 k = 0.5951 0.1783-0.4732 ( 3343 PWs) bands (ev): -41.5094 -41.5094 -13.6024 -13.6024 -13.4452 -13.4452 -13.3850 -13.3850 -8.8819 -8.8819 -8.7117 -8.7117 -3.5624 -3.5624 -3.2990 -3.2990 -1.5410 -1.5410 -1.2571 -1.2571 -1.1336 -1.1336 2.3501 2.3501 5.0674 5.0674 6.0092 6.0092 6.1430 6.1430 6.4779 6.4779 7.1219 7.1219 10.0123 10.0123 13.7641 13.7641 15.3220 15.3220 18.4012 18.4012 k = 0.5920 0.1774-0.4550 ( 3343 PWs) bands (ev): -41.5096 -41.5096 -13.6018 -13.6018 -13.4442 -13.4442 -13.3842 -13.3842 -8.8899 -8.8899 -8.7201 -8.7201 -3.5630 -3.5630 -3.3106 -3.3106 -1.5410 -1.5410 -1.2664 -1.2664 -1.1463 -1.1463 2.3499 2.3499 5.1423 5.1423 6.0195 6.0195 6.1564 6.1564 6.4653 6.4653 7.1249 7.1249 9.9930 9.9930 13.7694 13.7694 15.3490 15.3490 18.3928 18.3928 k = 0.5889 0.1765-0.4367 ( 3342 PWs) bands (ev): -41.5098 -41.5098 -13.6012 -13.6012 -13.4431 -13.4431 -13.3833 -13.3833 -8.8989 -8.8989 -8.7277 -8.7277 -3.5638 -3.5638 -3.3222 -3.3222 -1.5413 -1.5413 -1.2764 -1.2764 -1.1580 -1.1580 2.3514 2.3514 5.2171 5.2171 6.0256 6.0256 6.1705 6.1705 6.4569 6.4569 7.1283 7.1283 9.9725 9.9725 13.7565 13.7565 15.3969 15.3969 18.3827 18.3827 k = 0.5859 0.1756-0.4185 ( 3341 PWs) bands (ev): -41.5100 -41.5100 -13.6008 -13.6008 -13.4419 -13.4419 -13.3823 -13.3823 -8.9088 -8.9088 -8.7345 -8.7345 -3.5647 -3.5647 -3.3339 -3.3339 -1.5419 -1.5419 -1.2869 -1.2869 -1.1687 -1.1687 2.3543 2.3543 5.2913 5.2913 6.0275 6.0275 6.1854 6.1854 6.4528 6.4528 7.1321 7.1321 9.9509 9.9509 13.7265 13.7265 15.4644 15.4644 18.3712 18.3712 k = 0.5828 0.1746-0.4003 ( 3343 PWs) bands (ev): -41.5102 -41.5102 -13.6004 -13.6004 -13.4408 -13.4408 -13.3812 -13.3812 -8.9195 -8.9195 -8.7404 -8.7404 -3.5659 -3.5659 -3.3456 -3.3456 -1.5429 -1.5429 -1.2977 -1.2977 -1.1784 -1.1784 2.3587 2.3587 5.3642 5.3642 6.0253 6.0253 6.2014 6.2014 6.4530 6.4530 7.1363 7.1363 9.9283 9.9283 13.6816 13.6816 15.5493 15.5493 18.3584 18.3584 k = 0.5797 0.1737-0.3821 ( 3347 PWs) bands (ev): -41.5104 -41.5104 -13.6002 -13.6002 -13.4396 -13.4396 -13.3801 -13.3801 -8.9308 -8.9308 -8.7456 -8.7456 -3.5673 -3.5673 -3.3572 -3.3572 -1.5443 -1.5443 -1.3088 -1.3088 -1.1871 -1.1871 2.3644 2.3644 5.4350 5.4350 6.0203 6.0203 6.2184 6.2184 6.4573 6.4573 7.1409 7.1409 9.9047 9.9047 13.6243 13.6243 15.6489 15.6489 18.3447 18.3447 k = 0.5767 0.1728-0.3639 ( 3343 PWs) bands (ev): -41.5105 -41.5105 -13.5999 -13.5999 -13.4384 -13.4384 -13.3789 -13.3789 -8.9428 -8.9428 -8.7501 -8.7501 -3.5688 -3.5688 -3.3687 -3.3687 -1.5462 -1.5462 -1.3198 -1.3198 -1.1948 -1.1948 2.3714 2.3714 5.5023 5.5023 6.0140 6.0140 6.2361 6.2361 6.4654 6.4654 7.1459 7.1459 9.8802 9.8802 13.5570 13.5570 15.7605 15.7605 18.3305 18.3305 k = 0.5736 0.1719-0.3456 ( 3343 PWs) bands (ev): -41.5107 -41.5107 -13.5998 -13.5998 -13.4372 -13.4372 -13.3777 -13.3777 -8.9552 -8.9552 -8.7541 -8.7541 -3.5706 -3.5706 -3.3799 -3.3799 -1.5486 -1.5486 -1.3307 -1.3307 -1.2017 -1.2017 2.3796 2.3796 5.5643 5.5643 6.0089 6.0089 6.2542 6.2542 6.4769 6.4769 7.1513 7.1513 9.8549 9.8549 13.4821 13.4821 15.8816 15.8816 18.3161 18.3161 k = 0.5705 0.1710-0.3274 ( 3337 PWs) bands (ev): -41.5109 -41.5109 -13.5997 -13.5997 -13.4359 -13.4359 -13.3764 -13.3764 -8.9678 -8.9678 -8.7575 -8.7575 -3.5725 -3.5725 -3.3910 -3.3910 -1.5517 -1.5517 -1.3412 -1.3412 -1.2078 -1.2078 2.3888 2.3888 5.6185 5.6185 6.0078 6.0078 6.2725 6.2725 6.4918 6.4918 7.1572 7.1572 9.8289 9.8289 13.4013 13.4013 16.0101 16.0101 18.3018 18.3018 k = 0.5675 0.1701-0.3092 ( 3335 PWs) bands (ev): -41.5111 -41.5111 -13.5997 -13.5997 -13.4347 -13.4347 -13.3750 -13.3750 -8.9806 -8.9806 -8.7605 -8.7605 -3.5747 -3.5747 -3.4017 -3.4017 -1.5554 -1.5554 -1.3512 -1.3512 -1.2132 -1.2132 2.3990 2.3990 5.6614 5.6614 6.0141 6.0141 6.2907 6.2907 6.5098 6.5098 7.1634 7.1634 9.8023 9.8023 13.3163 13.3163 16.1440 16.1440 18.2879 18.2879 k = 0.5644 0.1691-0.2910 ( 3336 PWs) bands (ev): -41.5112 -41.5112 -13.5998 -13.5998 -13.4336 -13.4336 -13.3736 -13.3736 -8.9935 -8.9935 -8.7632 -8.7632 -3.5771 -3.5771 -3.4121 -3.4121 -1.5597 -1.5597 -1.3607 -1.3607 -1.2179 -1.2179 2.4100 2.4100 5.6903 5.6903 6.0305 6.0305 6.3086 6.3086 6.5312 6.5312 7.1699 7.1699 9.7753 9.7753 13.2283 13.2283 16.2817 16.2817 18.2749 18.2749 k = 0.5613 0.1682-0.2727 ( 3334 PWs) bands (ev): -41.5114 -41.5114 -13.6000 -13.6000 -13.4324 -13.4324 -13.3722 -13.3722 -9.0063 -9.0063 -8.7656 -8.7656 -3.5797 -3.5797 -3.4221 -3.4221 -1.5645 -1.5645 -1.3694 -1.3694 -1.2220 -1.2220 2.4218 2.4218 5.7047 5.7047 6.0574 6.0574 6.3262 6.3262 6.5562 6.5562 7.1768 7.1768 9.7479 9.7479 13.1384 13.1384 16.4215 16.4215 18.2632 18.2632 k = 0.5583 0.1673-0.2545 ( 3332 PWs) bands (ev): -41.5116 -41.5116 -13.6001 -13.6001 -13.4312 -13.4312 -13.3707 -13.3707 -9.0189 -9.0189 -8.7677 -8.7677 -3.5825 -3.5825 -3.4316 -3.4316 -1.5700 -1.5700 -1.3775 -1.3775 -1.2256 -1.2256 2.4341 2.4341 5.7069 5.7069 6.0920 6.0920 6.3431 6.3431 6.5851 6.5851 7.1840 7.1840 9.7204 9.7204 13.0473 13.0473 16.5620 16.5620 18.2532 18.2532 k = 0.5552 0.1664-0.2363 ( 3332 PWs) bands (ev): -41.5117 -41.5117 -13.6004 -13.6004 -13.4301 -13.4301 -13.3693 -13.3693 -9.0313 -9.0313 -8.7696 -8.7696 -3.5855 -3.5855 -3.4406 -3.4406 -1.5759 -1.5759 -1.3849 -1.3849 -1.2286 -1.2286 2.4468 2.4468 5.7005 5.7005 6.1302 6.1302 6.3593 6.3593 6.6182 6.6182 7.1914 7.1914 9.6929 9.6929 12.9560 12.9560 16.7015 16.7015 18.2454 18.2454 k = 0.5521 0.1655-0.2181 ( 3328 PWs) bands (ev): -41.5119 -41.5119 -13.6007 -13.6007 -13.4291 -13.4291 -13.3678 -13.3678 -9.0433 -9.0433 -8.7714 -8.7714 -3.5887 -3.5887 -3.4491 -3.4491 -1.5822 -1.5822 -1.3916 -1.3916 -1.2311 -1.2311 2.4599 2.4599 5.6886 5.6886 6.1688 6.1688 6.3748 6.3748 6.6556 6.6556 7.1990 7.1990 9.6655 9.6655 12.8650 12.8650 16.8384 16.8384 18.2406 18.2406 k = 0.5491 0.1645-0.1999 ( 3331 PWs) bands (ev): -41.5120 -41.5120 -13.6010 -13.6010 -13.4281 -13.4281 -13.3663 -13.3663 -9.0550 -9.0550 -8.7729 -8.7729 -3.5921 -3.5921 -3.4571 -3.4571 -1.5888 -1.5888 -1.3977 -1.3977 -1.2331 -1.2331 2.4731 2.4731 5.6734 5.6734 6.2054 6.2054 6.3894 6.3894 6.6973 6.6973 7.2067 7.2067 9.6384 9.6384 12.7750 12.7750 16.9709 16.9709 18.2394 18.2394 k = 0.5460 0.1636-0.1816 ( 3334 PWs) bands (ev): -41.5122 -41.5122 -13.6013 -13.6013 -13.4271 -13.4271 -13.3649 -13.3649 -9.0662 -9.0662 -8.7744 -8.7744 -3.5956 -3.5956 -3.4646 -3.4646 -1.5956 -1.5956 -1.4032 -1.4032 -1.2348 -1.2348 2.4863 2.4863 5.6565 5.6565 6.2388 6.2388 6.4031 6.4031 6.7427 6.7427 7.2145 7.2145 9.6119 9.6119 12.6866 12.6866 17.0969 17.0969 18.2428 18.2428 k = 0.5429 0.1627-0.1634 ( 3335 PWs) bands (ev): -41.5123 -41.5123 -13.6017 -13.6017 -13.4262 -13.4262 -13.3634 -13.3634 -9.0770 -9.0770 -8.7757 -8.7757 -3.5992 -3.5992 -3.4714 -3.4714 -1.6024 -1.6024 -1.4082 -1.4082 -1.2361 -1.2361 2.4995 2.4995 5.6387 5.6387 6.2686 6.2686 6.4158 6.4158 6.7912 6.7912 7.2223 7.2223 9.5859 9.5859 12.6004 12.6004 17.2143 17.2143 18.2517 18.2517 k = 0.5399 0.1618-0.1452 ( 3337 PWs) bands (ev): -41.5125 -41.5125 -13.6021 -13.6021 -13.4254 -13.4254 -13.3621 -13.3621 -9.0871 -9.0871 -8.7770 -8.7770 -3.6028 -3.6028 -3.4777 -3.4777 -1.6092 -1.6092 -1.4127 -1.4127 -1.2371 -1.2371 2.5124 2.5124 5.6209 5.6209 6.2947 6.2947 6.4276 6.4276 6.8419 6.8419 7.2300 7.2300 9.5608 9.5608 12.5168 12.5168 17.3208 17.3208 18.2672 18.2672 k = 0.5368 0.1609-0.1270 ( 3334 PWs) bands (ev): -41.5126 -41.5126 -13.6024 -13.6024 -13.4246 -13.4246 -13.3607 -13.3607 -9.0967 -9.0967 -8.7781 -8.7781 -3.6064 -3.6064 -3.4834 -3.4834 -1.6158 -1.6158 -1.4167 -1.4167 -1.2377 -1.2377 2.5249 2.5249 5.6033 5.6033 6.3173 6.3173 6.4385 6.4385 6.8935 6.8935 7.2377 7.2377 9.5367 9.5367 12.4364 12.4364 17.4143 17.4143 18.2900 18.2900 k = 0.5337 0.1599-0.1087 ( 3338 PWs) bands (ev): -41.5127 -41.5127 -13.6028 -13.6028 -13.4238 -13.4238 -13.3594 -13.3594 -9.1056 -9.1056 -8.7792 -8.7792 -3.6101 -3.6101 -3.4885 -3.4885 -1.6222 -1.6222 -1.4204 -1.4204 -1.2382 -1.2382 2.5370 2.5370 5.5864 5.5864 6.3369 6.3369 6.4485 6.4485 6.9451 6.9451 7.2450 7.2450 9.5138 9.5138 12.3598 12.3598 17.4935 17.4935 18.3203 18.3203 k = 0.5307 0.1590-0.0905 ( 3334 PWs) bands (ev): -41.5128 -41.5128 -13.6032 -13.6032 -13.4231 -13.4231 -13.3582 -13.3582 -9.1139 -9.1139 -8.7801 -8.7801 -3.6135 -3.6135 -3.4931 -3.4931 -1.6283 -1.6283 -1.4236 -1.4236 -1.2384 -1.2384 2.5485 2.5485 5.5703 5.5703 6.3538 6.3538 6.4576 6.4576 6.9957 6.9957 7.2522 7.2522 9.4922 9.4922 12.2874 12.2874 17.5579 17.5579 18.3572 18.3572 k = 0.5276 0.1581-0.0723 ( 3336 PWs) bands (ev): -41.5129 -41.5129 -13.6035 -13.6035 -13.4225 -13.4225 -13.3571 -13.3571 -9.1214 -9.1214 -8.7810 -8.7810 -3.6169 -3.6169 -3.4972 -3.4972 -1.6339 -1.6339 -1.4265 -1.4265 -1.2385 -1.2385 2.5592 2.5592 5.5554 5.5554 6.3683 6.3683 6.4658 6.4658 7.0442 7.0442 7.2590 7.2590 9.4721 9.4721 12.2199 12.2199 17.6084 17.6084 18.3991 18.3991 k = 0.5245 0.1572-0.0541 ( 3334 PWs) bands (ev): -41.5130 -41.5130 -13.6039 -13.6039 -13.4220 -13.4220 -13.3560 -13.3560 -9.1282 -9.1282 -8.7818 -8.7818 -3.6200 -3.6200 -3.5008 -3.5008 -1.6391 -1.6391 -1.4291 -1.4291 -1.2385 -1.2385 2.5691 2.5691 5.5416 5.5416 6.3806 6.3806 6.4733 6.4733 7.0899 7.0899 7.2655 7.2655 9.4537 9.4537 12.1576 12.1576 17.6468 17.6468 18.4432 18.4432 k = 0.5215 0.1563-0.0359 ( 3326 PWs) bands (ev): -41.5131 -41.5131 -13.6041 -13.6041 -13.4214 -13.4214 -13.3550 -13.3550 -9.1343 -9.1343 -8.7825 -8.7825 -3.6229 -3.6229 -3.5039 -3.5039 -1.6438 -1.6438 -1.4313 -1.4313 -1.2383 -1.2383 2.5781 2.5781 5.5293 5.5293 6.3911 6.3911 6.4799 6.4799 7.1318 7.1318 7.2717 7.2717 9.4370 9.4370 12.1012 12.1012 17.6751 17.6751 18.4869 18.4869 k = 0.5184 0.1554-0.0176 ( 3326 PWs) bands (ev): -41.5131 -41.5131 -13.6044 -13.6044 -13.4210 -13.4210 -13.3542 -13.3542 -9.1396 -9.1396 -8.7831 -8.7831 -3.6255 -3.6255 -3.5065 -3.5065 -1.6480 -1.6480 -1.4332 -1.4332 -1.2382 -1.2382 2.5860 2.5860 5.5184 5.5184 6.3999 6.3999 6.4856 6.4856 7.1692 7.1692 7.2777 7.2777 9.4223 9.4223 12.0511 12.0511 17.6957 17.6957 18.5279 18.5279 k = 0.5153 0.1544 0.0006 ( 3327 PWs) bands (ev): -41.5132 -41.5132 -13.6046 -13.6046 -13.4207 -13.4207 -13.3535 -13.3535 -9.1441 -9.1441 -8.7836 -8.7836 -3.6278 -3.6278 -3.5087 -3.5087 -1.6515 -1.6515 -1.4349 -1.4349 -1.2380 -1.2380 2.5929 2.5929 5.5090 5.5090 6.4071 6.4071 6.4906 6.4906 7.2011 7.2011 7.2836 7.2836 9.4097 9.4097 12.0079 12.0079 17.7105 17.7105 18.5643 18.5643 k = 0.5123 0.1535 0.0188 ( 3325 PWs) bands (ev): -41.5132 -41.5132 -13.6048 -13.6048 -13.4204 -13.4204 -13.3529 -13.3529 -9.1479 -9.1479 -8.7840 -8.7840 -3.6297 -3.6297 -3.5105 -3.5105 -1.6545 -1.6545 -1.4362 -1.4362 -1.2378 -1.2378 2.5987 2.5987 5.5013 5.5013 6.4128 6.4128 6.4946 6.4946 7.2268 7.2268 7.2897 7.2897 9.3992 9.3992 11.9718 11.9718 17.7208 17.7208 18.5949 18.5949 k = 0.5092 0.1526 0.0370 ( 3323 PWs) bands (ev): -41.5133 -41.5133 -13.6050 -13.6050 -13.4201 -13.4201 -13.3524 -13.3524 -9.1508 -9.1508 -8.7843 -8.7843 -3.6312 -3.6312 -3.5119 -3.5119 -1.6568 -1.6568 -1.4373 -1.4373 -1.2376 -1.2376 2.6032 2.6032 5.4952 5.4952 6.4172 6.4172 6.4978 6.4978 7.2456 7.2456 7.2962 7.2962 9.3909 9.3909 11.9433 11.9433 17.7279 17.7279 18.6191 18.6191 k = 0.5061 0.1517 0.0553 ( 3321 PWs) bands (ev): -41.5133 -41.5133 -13.6051 -13.6051 -13.4200 -13.4200 -13.3520 -13.3520 -9.1528 -9.1528 -8.7846 -8.7846 -3.6323 -3.6323 -3.5129 -3.5129 -1.6584 -1.6584 -1.4380 -1.4380 -1.2375 -1.2375 2.6064 2.6064 5.4909 5.4909 6.4202 6.4202 6.5001 6.5001 7.2575 7.2575 7.3026 7.3026 9.3849 9.3849 11.9228 11.9228 17.7324 17.7324 18.6365 18.6365 k = 0.5031 0.1508 0.0735 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6051 -13.6051 -13.4198 -13.4198 -13.3518 -13.3518 -9.1541 -9.1541 -8.7847 -8.7847 -3.6329 -3.6329 -3.5135 -3.5135 -1.6594 -1.6594 -1.4384 -1.4384 -1.2374 -1.2374 2.6084 2.6084 5.4883 5.4883 6.4221 6.4221 6.5015 6.5015 7.2638 7.2638 7.3075 7.3075 9.3813 9.3813 11.9103 11.9103 17.7350 17.7350 18.6469 18.6469 k = 0.5000 0.1498 0.0917 ( 3316 PWs) bands (ev): -41.5133 -41.5133 -13.6052 -13.6052 -13.4198 -13.4198 -13.3517 -13.3517 -9.1545 -9.1545 -8.7848 -8.7848 -3.6331 -3.6331 -3.5136 -3.5136 -1.6597 -1.6597 -1.4386 -1.4386 -1.2374 -1.2374 2.6090 2.6090 5.4874 5.4874 6.4227 6.4227 6.5020 6.5020 7.2656 7.2656 7.3094 7.3094 9.3801 9.3801 11.9062 11.9062 17.7358 17.7358 18.6504 18.6504 k = 0.5000-0.7593-0.4647 ( 3346 PWs) bands (ev): -41.5069 -41.5069 -13.6196 -13.6196 -13.4567 -13.4567 -13.3921 -13.3921 -8.7899 -8.7899 -8.5753 -8.5753 -3.5666 -3.5666 -3.1462 -3.1462 -1.5436 -1.5436 -1.1742 -1.1742 -0.8626 -0.8626 2.7969 2.7969 4.0568 4.0568 5.3042 5.3042 5.8387 5.8387 6.6140 6.6140 7.0234 7.0234 10.5080 10.5080 13.0660 13.0660 16.3062 16.3062 17.9118 17.9118 k = 0.5156-0.7518-0.4601 ( 3347 PWs) bands (ev): -41.5069 -41.5069 -13.6196 -13.6196 -13.4568 -13.4568 -13.3921 -13.3921 -8.7901 -8.7901 -8.5751 -8.5751 -3.5667 -3.5667 -3.1462 -3.1462 -1.5436 -1.5436 -1.1742 -1.1742 -0.8626 -0.8626 2.7960 2.7960 4.0566 4.0566 5.3055 5.3055 5.8385 5.8385 6.6152 6.6152 7.0238 7.0238 10.5069 10.5069 13.0644 13.0644 16.3058 16.3058 17.9133 17.9133 k = 0.5313-0.7443-0.4555 ( 3348 PWs) bands (ev): -41.5069 -41.5069 -13.6196 -13.6196 -13.4568 -13.4568 -13.3921 -13.3921 -8.7907 -8.7907 -8.5745 -8.5745 -3.5667 -3.5667 -3.1462 -3.1462 -1.5436 -1.5436 -1.1742 -1.1742 -0.8628 -0.8628 2.7933 2.7933 4.0559 4.0559 5.3095 5.3095 5.8379 5.8379 6.6188 6.6188 7.0247 7.0247 10.5037 10.5037 13.0596 13.0596 16.3048 16.3048 17.9178 17.9178 k = 0.5469-0.7368-0.4509 ( 3351 PWs) bands (ev): -41.5070 -41.5070 -13.6196 -13.6196 -13.4568 -13.4568 -13.3921 -13.3921 -8.7917 -8.7917 -8.5735 -8.5735 -3.5667 -3.5667 -3.1463 -3.1463 -1.5437 -1.5437 -1.1742 -1.1742 -0.8629 -0.8629 2.7888 2.7888 4.0548 4.0548 5.3160 5.3160 5.8369 5.8369 6.6247 6.6247 7.0264 7.0264 10.4983 10.4983 13.0517 13.0517 16.3031 16.3031 17.9251 17.9251 k = 0.5626-0.7293-0.4463 ( 3357 PWs) bands (ev): -41.5070 -41.5070 -13.6196 -13.6196 -13.4568 -13.4568 -13.3921 -13.3921 -8.7931 -8.7931 -8.5721 -8.5721 -3.5668 -3.5668 -3.1463 -3.1463 -1.5437 -1.5437 -1.1742 -1.1742 -0.8632 -0.8632 2.7827 2.7827 4.0532 4.0532 5.3251 5.3251 5.8356 5.8356 6.6329 6.6329 7.0286 7.0286 10.4909 10.4909 13.0407 13.0407 16.3009 16.3009 17.9350 17.9350 k = 0.5782-0.7218-0.4417 ( 3357 PWs) bands (ev): -41.5070 -41.5070 -13.6196 -13.6196 -13.4567 -13.4567 -13.3921 -13.3921 -8.7948 -8.7948 -8.5705 -8.5705 -3.5668 -3.5668 -3.1464 -3.1464 -1.5437 -1.5437 -1.1742 -1.1742 -0.8635 -0.8635 2.7751 2.7751 4.0511 4.0511 5.3367 5.3367 5.8340 5.8340 6.6433 6.6433 7.0314 7.0314 10.4814 10.4814 13.0268 13.0268 16.2983 16.2983 17.9470 17.9470 k = 0.5938-0.7144-0.4371 ( 3353 PWs) bands (ev): -41.5070 -41.5070 -13.6195 -13.6195 -13.4567 -13.4567 -13.3921 -13.3921 -8.7968 -8.7968 -8.5685 -8.5685 -3.5668 -3.5668 -3.1465 -3.1465 -1.5437 -1.5437 -1.1741 -1.1741 -0.8639 -0.8639 2.7661 2.7661 4.0484 4.0484 5.3506 5.3506 5.8321 5.8321 6.6557 6.6557 7.0348 7.0348 10.4701 10.4701 13.0101 13.0101 16.2953 16.2953 17.9607 17.9607 k = 0.6095-0.7069-0.4326 ( 3355 PWs) bands (ev): -41.5070 -41.5070 -13.6195 -13.6195 -13.4567 -13.4567 -13.3921 -13.3921 -8.7990 -8.7990 -8.5663 -8.5663 -3.5669 -3.5669 -3.1466 -3.1466 -1.5437 -1.5437 -1.1741 -1.1741 -0.8643 -0.8643 2.7559 2.7559 4.0452 4.0452 5.3666 5.3666 5.8299 5.8299 6.6701 6.6701 7.0388 7.0388 10.4570 10.4570 12.9908 12.9908 16.2923 16.2923 17.9756 17.9756 k = 0.6251-0.6994-0.4280 ( 3357 PWs) bands (ev): -41.5070 -41.5070 -13.6194 -13.6194 -13.4566 -13.4566 -13.3921 -13.3921 -8.8015 -8.8015 -8.5640 -8.5640 -3.5670 -3.5670 -3.1467 -3.1467 -1.5437 -1.5437 -1.1741 -1.1741 -0.8648 -0.8648 2.7446 2.7446 4.0415 4.0415 5.3846 5.3846 5.8277 5.8277 6.6863 6.6863 7.0431 7.0431 10.4423 10.4423 12.9691 12.9691 16.2892 16.2892 17.9912 17.9912 k = 0.6407-0.6919-0.4234 ( 3357 PWs) bands (ev): -41.5070 -41.5070 -13.6194 -13.6194 -13.4566 -13.4566 -13.3920 -13.3920 -8.8040 -8.8040 -8.5615 -8.5615 -3.5670 -3.5670 -3.1468 -3.1468 -1.5438 -1.5438 -1.1741 -1.1741 -0.8654 -0.8654 2.7324 2.7324 4.0371 4.0371 5.4043 5.4043 5.8253 5.8253 6.7040 6.7040 7.0479 7.0479 10.4261 10.4261 12.9453 12.9453 16.2862 16.2862 18.0071 18.0071 k = 0.6564-0.6844-0.4188 ( 3355 PWs) bands (ev): -41.5070 -41.5070 -13.6193 -13.6193 -13.4565 -13.4565 -13.3920 -13.3920 -8.8067 -8.8067 -8.5589 -8.5589 -3.5671 -3.5671 -3.1469 -3.1469 -1.5438 -1.5438 -1.1741 -1.1741 -0.8660 -0.8660 2.7196 2.7196 4.0323 4.0323 5.4254 5.4254 5.8229 5.8229 6.7233 6.7233 7.0531 7.0531 10.4087 10.4087 12.9196 12.9196 16.2835 16.2835 18.0228 18.0228 k = 0.6720-0.6769-0.4142 ( 3359 PWs) bands (ev): -41.5070 -41.5070 -13.6192 -13.6192 -13.4565 -13.4565 -13.3920 -13.3920 -8.8095 -8.8095 -8.5563 -8.5563 -3.5672 -3.5672 -3.1471 -3.1471 -1.5438 -1.5438 -1.1741 -1.1741 -0.8666 -0.8666 2.7063 2.7063 4.0270 4.0270 5.4476 5.4476 5.8206 5.8206 6.7437 6.7437 7.0586 7.0586 10.3901 10.3901 12.8922 12.8922 16.2812 16.2812 18.0378 18.0378 k = 0.6877-0.6694-0.4096 ( 3357 PWs) bands (ev): -41.5070 -41.5070 -13.6191 -13.6191 -13.4565 -13.4565 -13.3920 -13.3920 -8.8122 -8.8122 -8.5537 -8.5537 -3.5672 -3.5672 -3.1472 -3.1472 -1.5438 -1.5438 -1.1741 -1.1741 -0.8672 -0.8672 2.6927 2.6927 4.0213 4.0213 5.4707 5.4707 5.8185 5.8185 6.7652 6.7652 7.0643 7.0643 10.3707 10.3707 12.8635 12.8635 16.2793 16.2793 18.0519 18.0519 k = 0.7033-0.6619-0.4051 ( 3355 PWs) bands (ev): -41.5070 -41.5070 -13.6190 -13.6190 -13.4564 -13.4564 -13.3920 -13.3920 -8.8150 -8.8150 -8.5511 -8.5511 -3.5673 -3.5673 -3.1474 -3.1474 -1.5438 -1.5438 -1.1741 -1.1741 -0.8679 -0.8679 2.6790 2.6790 4.0153 4.0153 5.4941 5.4941 5.8166 5.8166 6.7876 6.7876 7.0702 7.0702 10.3506 10.3506 12.8337 12.8337 16.2778 16.2778 18.0649 18.0649 k = 0.7189-0.6544-0.4005 ( 3354 PWs) bands (ev): -41.5070 -41.5070 -13.6189 -13.6189 -13.4563 -13.4563 -13.3919 -13.3919 -8.8176 -8.8176 -8.5487 -8.5487 -3.5674 -3.5674 -3.1476 -3.1476 -1.5439 -1.5439 -1.1741 -1.1741 -0.8686 -0.8686 2.6652 2.6652 4.0090 4.0090 5.5174 5.5174 5.8152 5.8152 6.8106 6.8106 7.0762 7.0762 10.3302 10.3302 12.8032 12.8032 16.2769 16.2769 18.0765 18.0765 k = 0.7346-0.6469-0.3959 ( 3359 PWs) bands (ev): -41.5070 -41.5070 -13.6189 -13.6189 -13.4563 -13.4563 -13.3919 -13.3919 -8.8202 -8.8202 -8.5464 -8.5464 -3.5674 -3.5674 -3.1478 -3.1478 -1.5439 -1.5439 -1.1742 -1.1742 -0.8693 -0.8693 2.6517 2.6517 4.0025 4.0025 5.5403 5.5403 5.8143 5.8143 6.8341 6.8341 7.0822 7.0822 10.3095 10.3095 12.7723 12.7723 16.2764 16.2764 18.0869 18.0869 k = 0.7502-0.6394-0.3913 ( 3360 PWs) bands (ev): -41.5070 -41.5070 -13.6188 -13.6188 -13.4563 -13.4563 -13.3919 -13.3919 -8.8226 -8.8226 -8.5443 -8.5443 -3.5675 -3.5675 -3.1480 -3.1480 -1.5439 -1.5439 -1.1743 -1.1743 -0.8700 -0.8700 2.6385 2.6385 3.9961 3.9961 5.5623 5.5623 5.8142 5.8142 6.8577 6.8577 7.0882 7.0882 10.2890 10.2890 12.7412 12.7412 16.2765 16.2765 18.0958 18.0958 k = 0.7658-0.6319-0.3867 ( 3362 PWs) bands (ev): -41.5070 -41.5070 -13.6187 -13.6187 -13.4562 -13.4562 -13.3919 -13.3919 -8.8249 -8.8249 -8.5423 -8.5423 -3.5676 -3.5676 -3.1482 -3.1482 -1.5439 -1.5439 -1.1743 -1.1743 -0.8707 -0.8707 2.6258 2.6258 3.9897 3.9897 5.5829 5.5829 5.8148 5.8148 6.8815 6.8815 7.0942 7.0942 10.2688 10.2688 12.7103 12.7103 16.2770 16.2770 18.1036 18.1036 k = 0.7815-0.6245-0.3821 ( 3362 PWs) bands (ev): -41.5070 -41.5070 -13.6186 -13.6186 -13.4561 -13.4561 -13.3919 -13.3919 -8.8270 -8.8270 -8.5407 -8.5407 -3.5676 -3.5676 -3.1484 -3.1484 -1.5439 -1.5439 -1.1744 -1.1744 -0.8714 -0.8714 2.6136 2.6136 3.9835 3.9835 5.6016 5.6016 5.8164 5.8164 6.9051 6.9051 7.1001 7.1001 10.2493 10.2493 12.6800 12.6800 16.2779 16.2779 18.1101 18.1101 k = 0.7971-0.6170-0.3775 ( 3363 PWs) bands (ev): -41.5070 -41.5070 -13.6185 -13.6185 -13.4561 -13.4561 -13.3919 -13.3919 -8.8288 -8.8288 -8.5392 -8.5392 -3.5677 -3.5677 -3.1486 -3.1486 -1.5439 -1.5439 -1.1745 -1.1745 -0.8721 -0.8721 2.6021 2.6021 3.9776 3.9776 5.6182 5.6182 5.8189 5.8189 6.9284 6.9284 7.1058 7.1058 10.2306 10.2306 12.6505 12.6505 16.2792 16.2792 18.1157 18.1157 k = 0.8128-0.6095-0.3730 ( 3359 PWs) bands (ev): -41.5070 -41.5070 -13.6184 -13.6184 -13.4560 -13.4560 -13.3918 -13.3918 -8.8305 -8.8305 -8.5381 -8.5381 -3.5677 -3.5677 -3.1488 -3.1488 -1.5438 -1.5438 -1.1746 -1.1746 -0.8728 -0.8728 2.5914 2.5914 3.9722 3.9722 5.6324 5.6324 5.8223 5.8223 6.9511 6.9511 7.1113 7.1113 10.2131 10.2131 12.6221 12.6221 16.2808 16.2808 18.1203 18.1203 Writing output data file NaTlO2.save init_run : 0.71s CPU 0.83s WALL ( 1 calls) electrons : 146.15s CPU 148.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 146.14s CPU 148.19s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 365 calls) cegterg : 132.75s CPU 134.33s WALL ( 407 calls) Called by sum_band: Called by *egterg: h_psi : 101.75s CPU 102.96s WALL ( 6926 calls) s_psi : 1.45s CPU 1.46s WALL ( 6926 calls) g_psi : 0.15s CPU 0.14s WALL ( 6154 calls) cdiaghg : 32.72s CPU 32.93s WALL ( 6519 calls) cegterg:over : 3.10s CPU 3.17s WALL ( 6154 calls) cegterg:upda : 2.37s CPU 2.43s WALL ( 6154 calls) cegterg:last : 1.39s CPU 1.54s WALL ( 1137 calls) cdiaghg:chol : 1.89s CPU 1.77s WALL ( 6519 calls) cdiaghg:inve : 1.04s CPU 1.01s WALL ( 6519 calls) cdiaghg:para : 1.79s CPU 1.87s WALL ( 13038 calls) Called by h_psi: h_psi:vloc : 97.80s CPU 98.90s WALL ( 6926 calls) h_psi:vnl : 3.84s CPU 3.94s WALL ( 6926 calls) add_vuspsi : 1.75s CPU 1.85s WALL ( 6926 calls) General routines calbec : 2.07s CPU 2.08s WALL ( 6926 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.23s CPU 93.22s WALL ( 601840 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.22s WALL ( 730 calls) Parallel routines fft_scatter : 22.96s CPU 23.60s WALL ( 601863 calls) PWSCF : 2m40.82s CPU 3m13.47s WALL This run was terminated on: 21: 5:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=