Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:42:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./NiS.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 52 37 11 962 566 96 Max 53 38 12 965 588 97 Sum 1903 1355 409 34677 20799 3467 bravais-lattice index = 14 lattice parameter (alat) = 10.6581 a.u. unit-cell volume = 566.5660 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.658055 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.447759 celldm(5)= -0.447759 celldm(6)= -0.447759 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.447759 0.894154 0.000000 ) a(3) = ( -0.447759 -0.724984 0.523364 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.500763 1.549215 ) b(2) = ( 0.000000 1.118375 1.549215 ) b(3) = ( 0.000000 0.000000 1.910714 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ni 10.00 58.69340 Ni( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0090885 -0.0147155 0.0047566), wk = 0.0029070 k( 3) = ( 0.0181769 -0.0294309 0.0095131), wk = 0.0029070 k( 4) = ( 0.0272654 -0.0441464 0.0142697), wk = 0.0029070 k( 5) = ( 0.0363538 -0.0588619 0.0190263), wk = 0.0029070 k( 6) = ( 0.0454423 -0.0735773 0.0237829), wk = 0.0029070 k( 7) = ( 0.0545307 -0.0882928 0.0285395), wk = 0.0029070 k( 8) = ( 0.0636192 -0.1030082 0.0332960), wk = 0.0029070 k( 9) = ( 0.0727076 -0.1177237 0.0380526), wk = 0.0029070 k( 10) = ( 0.0817961 -0.1324392 0.0428092), wk = 0.0029070 k( 11) = ( 0.0908846 -0.1471546 0.0475658), wk = 0.0029070 k( 12) = ( 0.0999730 -0.1618701 0.0523223), wk = 0.0029070 k( 13) = ( 0.1090615 -0.1765856 0.0570789), wk = 0.0029070 k( 14) = ( 0.1181499 -0.1913010 0.0618355), wk = 0.0029070 k( 15) = ( 0.1272384 -0.2060165 0.0665920), wk = 0.0029070 k( 16) = ( 0.1363268 -0.2207320 0.0713486), wk = 0.0029070 k( 17) = ( 0.1454153 -0.2354474 0.0761052), wk = 0.0029070 k( 18) = ( 0.1545037 -0.2501629 0.0808618), wk = 0.0029070 k( 19) = ( 0.1635922 -0.2648784 0.0856184), wk = 0.0029070 k( 20) = ( 0.1726807 -0.2795938 0.0903749), wk = 0.0029070 k( 21) = ( 0.1817691 -0.2943093 0.0951315), wk = 0.0029070 k( 22) = ( 0.1908576 -0.3090247 0.0998881), wk = 0.0029070 k( 23) = ( 0.1999460 -0.3237402 0.1046446), wk = 0.0029070 k( 24) = ( 0.2090345 -0.3384557 0.1094012), wk = 0.0029070 k( 25) = ( 0.2181229 -0.3531711 0.1141578), wk = 0.0029070 k( 26) = ( 0.2272114 -0.3678866 0.1189144), wk = 0.0029070 k( 27) = ( 0.2362999 -0.3826021 0.1236710), wk = 0.0029070 k( 28) = ( 0.2453883 -0.3973175 0.1284275), wk = 0.0029070 k( 29) = ( 0.2544768 -0.4120330 0.1331841), wk = 0.0029070 k( 30) = ( 0.2635652 -0.4267485 0.1379407), wk = 0.0029070 k( 31) = ( 0.2726537 -0.4414639 0.1426973), wk = 0.0029070 k( 32) = ( 0.2817421 -0.4561794 0.1474538), wk = 0.0029070 k( 33) = ( 0.2908306 -0.4708949 0.1522104), wk = 0.0029070 k( 34) = ( 0.2999191 -0.4856103 0.1569670), wk = 0.0029070 k( 35) = ( 0.3090075 -0.5003258 0.1617235), wk = 0.0029070 k( 36) = ( 0.3180960 -0.5150412 0.1664801), wk = 0.0029070 k( 37) = ( 0.3271844 -0.5297567 0.1712367), wk = 0.0029070 k( 38) = ( 0.3362729 -0.5444722 0.1759933), wk = 0.0029070 k( 39) = ( 0.3453613 -0.5591876 0.1807499), wk = 0.0029070 k( 40) = ( 0.3453613 -0.5591876 0.1807499), wk = 0.0029070 k( 41) = ( 0.3486515 -0.5538604 0.1972308), wk = 0.0029070 k( 42) = ( 0.3519417 -0.5485331 0.2137119), wk = 0.0029070 k( 43) = ( 0.3552319 -0.5432059 0.2301929), wk = 0.0029070 k( 44) = ( 0.3585221 -0.5378786 0.2466739), wk = 0.0029070 k( 45) = ( 0.3618123 -0.5325513 0.2631549), wk = 0.0029070 k( 46) = ( 0.3651024 -0.5272241 0.2796359), wk = 0.0029070 k( 47) = ( 0.3683926 -0.5218968 0.2961169), wk = 0.0029070 k( 48) = ( 0.3716828 -0.5165695 0.3125979), wk = 0.0029070 k( 49) = ( 0.3749730 -0.5112423 0.3290789), wk = 0.0029070 k( 50) = ( 0.3782632 -0.5059150 0.3455599), wk = 0.0029070 k( 51) = ( 0.3815534 -0.5005877 0.3620409), wk = 0.0029070 k( 52) = ( 0.3848435 -0.4952605 0.3785219), wk = 0.0029070 k( 53) = ( 0.3881337 -0.4899332 0.3950030), wk = 0.0029070 k( 54) = ( 0.3914239 -0.4846060 0.4114839), wk = 0.0029070 k( 55) = ( 0.3947141 -0.4792787 0.4279650), wk = 0.0029070 k( 56) = ( 0.3980043 -0.4739514 0.4444460), wk = 0.0029070 k( 57) = ( 0.4012945 -0.4686242 0.4609269), wk = 0.0029070 k( 58) = ( 0.4045846 -0.4632969 0.4774080), wk = 0.0029070 k( 59) = ( 0.4078748 -0.4579697 0.4938890), wk = 0.0029070 k( 60) = ( 0.4111650 -0.4526424 0.5103700), wk = 0.0029070 k( 61) = ( 0.4144552 -0.4473151 0.5268510), wk = 0.0029070 k( 62) = ( 0.4177454 -0.4419879 0.5433320), wk = 0.0029070 k( 63) = ( 0.4210356 -0.4366606 0.5598130), wk = 0.0029070 k( 64) = ( 0.4243258 -0.4313333 0.5762940), wk = 0.0029070 k( 65) = ( 0.4276159 -0.4260061 0.5927750), wk = 0.0029070 k( 66) = ( 0.4309061 -0.4206788 0.6092560), wk = 0.0029070 k( 67) = ( 0.4341963 -0.4153515 0.6257370), wk = 0.0029070 k( 68) = ( 0.4374865 -0.4100243 0.6422180), wk = 0.0029070 k( 69) = ( 0.4407767 -0.4046970 0.6586991), wk = 0.0029070 k( 70) = ( 0.4440669 -0.3993698 0.6751800), wk = 0.0029070 k( 71) = ( 0.4473570 -0.3940425 0.6916611), wk = 0.0029070 k( 72) = ( 0.4506472 -0.3887152 0.7081421), wk = 0.0029070 k( 73) = ( 0.4539374 -0.3833880 0.7246231), wk = 0.0029070 k( 74) = ( 0.4572276 -0.3780607 0.7411041), wk = 0.0029070 k( 75) = ( 0.4605178 -0.3727334 0.7575851), wk = 0.0029070 k( 76) = ( 0.4638080 -0.3674062 0.7740661), wk = 0.0029070 k( 77) = ( 0.4670981 -0.3620789 0.7905471), wk = 0.0029070 k( 78) = ( 0.4703883 -0.3567517 0.8070281), wk = 0.0029070 k( 79) = ( 0.4736785 -0.3514244 0.8235091), wk = 0.0029070 k( 80) = ( 0.4769687 -0.3460971 0.8399901), wk = 0.0029070 k( 81) = ( 0.4802589 -0.3407699 0.8564711), wk = 0.0029070 k( 82) = ( 0.4835491 -0.3354426 0.8729522), wk = 0.0029070 k( 83) = ( 0.4868393 -0.3301153 0.8894331), wk = 0.0029070 k( 84) = ( 0.4901295 -0.3247881 0.9059142), wk = 0.0029070 k( 85) = ( 0.4934196 -0.3194608 0.9223952), wk = 0.0029070 k( 86) = ( 0.4967098 -0.3141335 0.9388762), wk = 0.0029070 k( 87) = ( 0.5000000 -0.3088063 0.9553572), wk = 0.0029070 k( 88) = ( 0.5000000 -0.3088063 0.9553572), wk = 0.0029070 k( 89) = ( 0.4920698 -0.2929701 0.9553572), wk = 0.0029070 k( 90) = ( 0.4841396 -0.2771339 0.9553572), wk = 0.0029070 k( 91) = ( 0.4762094 -0.2612976 0.9553572), wk = 0.0029070 k( 92) = ( 0.4682792 -0.2454614 0.9553572), wk = 0.0029070 k( 93) = ( 0.4603491 -0.2296252 0.9553572), wk = 0.0029070 k( 94) = ( 0.4524189 -0.2137890 0.9553572), wk = 0.0029070 k( 95) = ( 0.4444887 -0.1979528 0.9553572), wk = 0.0029070 k( 96) = ( 0.4365585 -0.1821165 0.9553572), wk = 0.0029070 k( 97) = ( 0.4286283 -0.1662803 0.9553572), wk = 0.0029070 k( 98) = ( 0.4206981 -0.1504441 0.9553572), wk = 0.0029070 k( 99) = ( 0.4127679 -0.1346079 0.9553572), wk = 0.0029070 k( 100) = ( 0.4048377 -0.1187716 0.9553572), wk = 0.0029070 k( 101) = ( 0.3969075 -0.1029354 0.9553572), wk = 0.0029070 k( 102) = ( 0.3889774 -0.0870992 0.9553572), wk = 0.0029070 k( 103) = ( 0.3810472 -0.0712630 0.9553572), wk = 0.0029070 k( 104) = ( 0.3731170 -0.0554268 0.9553572), wk = 0.0029070 k( 105) = ( 0.3651868 -0.0395906 0.9553572), wk = 0.0029070 k( 106) = ( 0.3572566 -0.0237543 0.9553572), wk = 0.0029070 k( 107) = ( 0.3493264 -0.0079181 0.9553572), wk = 0.0029070 k( 108) = ( 0.3413962 0.0079181 0.9553572), wk = 0.0029070 k( 109) = ( 0.3334660 0.0237543 0.9553572), wk = 0.0029070 k( 110) = ( 0.3255359 0.0395906 0.9553572), wk = 0.0029070 k( 111) = ( 0.3176057 0.0554268 0.9553572), wk = 0.0029070 k( 112) = ( 0.3096755 0.0712630 0.9553572), wk = 0.0029070 k( 113) = ( 0.3017453 0.0870992 0.9553572), wk = 0.0029070 k( 114) = ( 0.2938151 0.1029354 0.9553572), wk = 0.0029070 k( 115) = ( 0.2858849 0.1187717 0.9553572), wk = 0.0029070 k( 116) = ( 0.2779547 0.1346079 0.9553572), wk = 0.0029070 k( 117) = ( 0.2700245 0.1504441 0.9553572), wk = 0.0029070 k( 118) = ( 0.2620943 0.1662803 0.9553572), wk = 0.0029070 k( 119) = ( 0.2541642 0.1821165 0.9553572), wk = 0.0029070 k( 120) = ( 0.2462340 0.1979527 0.9553572), wk = 0.0029070 k( 121) = ( 0.2383038 0.2137890 0.9553572), wk = 0.0029070 k( 122) = ( 0.2303736 0.2296252 0.9553572), wk = 0.0029070 k( 123) = ( 0.2224434 0.2454614 0.9553572), wk = 0.0029070 k( 124) = ( 0.2145132 0.2612976 0.9553572), wk = 0.0029070 k( 125) = ( 0.2065830 0.2771339 0.9553572), wk = 0.0029070 k( 126) = ( 0.1986528 0.2929701 0.9553572), wk = 0.0029070 k( 127) = ( 0.1907226 0.3088063 0.9553572), wk = 0.0029070 k( 128) = ( 0.1907226 0.3088063 0.9553572), wk = 0.0029070 k( 129) = ( 0.1873766 0.3033886 0.9385965), wk = 0.0029070 k( 130) = ( 0.1840306 0.2979710 0.9218359), wk = 0.0029070 k( 131) = ( 0.1806846 0.2925533 0.9050752), wk = 0.0029070 k( 132) = ( 0.1773386 0.2871357 0.8883146), wk = 0.0029070 k( 133) = ( 0.1739926 0.2817180 0.8715539), wk = 0.0029070 k( 134) = ( 0.1706466 0.2763004 0.8547933), wk = 0.0029070 k( 135) = ( 0.1673006 0.2708827 0.8380326), wk = 0.0029070 k( 136) = ( 0.1639546 0.2654651 0.8212719), wk = 0.0029070 k( 137) = ( 0.1606085 0.2600474 0.8045113), wk = 0.0029070 k( 138) = ( 0.1572625 0.2546298 0.7877507), wk = 0.0029070 k( 139) = ( 0.1539165 0.2492121 0.7709900), wk = 0.0029070 k( 140) = ( 0.1505705 0.2437944 0.7542294), wk = 0.0029070 k( 141) = ( 0.1472245 0.2383768 0.7374687), wk = 0.0029070 k( 142) = ( 0.1438785 0.2329591 0.7207080), wk = 0.0029070 k( 143) = ( 0.1405325 0.2275415 0.7039474), wk = 0.0029070 k( 144) = ( 0.1371865 0.2221238 0.6871867), wk = 0.0029070 k( 145) = ( 0.1338405 0.2167062 0.6704261), wk = 0.0029070 k( 146) = ( 0.1304945 0.2112885 0.6536654), wk = 0.0029070 k( 147) = ( 0.1271484 0.2058709 0.6369048), wk = 0.0029070 k( 148) = ( 0.1238024 0.2004532 0.6201441), wk = 0.0029070 k( 149) = ( 0.1204564 0.1950355 0.6033835), wk = 0.0029070 k( 150) = ( 0.1171104 0.1896179 0.5866228), wk = 0.0029070 k( 151) = ( 0.1137644 0.1842002 0.5698622), wk = 0.0029070 k( 152) = ( 0.1104184 0.1787826 0.5531015), wk = 0.0029070 k( 153) = ( 0.1070724 0.1733649 0.5363409), wk = 0.0029070 k( 154) = ( 0.1037264 0.1679473 0.5195802), wk = 0.0029070 k( 155) = ( 0.1003803 0.1625296 0.5028195), wk = 0.0029070 k( 156) = ( 0.0970343 0.1571120 0.4860589), wk = 0.0029070 k( 157) = ( 0.0936883 0.1516943 0.4692983), wk = 0.0029070 k( 158) = ( 0.0903423 0.1462767 0.4525376), wk = 0.0029070 k( 159) = ( 0.0869963 0.1408590 0.4357770), wk = 0.0029070 k( 160) = ( 0.0836503 0.1354414 0.4190163), wk = 0.0029070 k( 161) = ( 0.0803043 0.1300237 0.4022557), wk = 0.0029070 k( 162) = ( 0.0769583 0.1246060 0.3854950), wk = 0.0029070 k( 163) = ( 0.0736123 0.1191884 0.3687343), wk = 0.0029070 k( 164) = ( 0.0702662 0.1137707 0.3519737), wk = 0.0029070 k( 165) = ( 0.0669202 0.1083531 0.3352130), wk = 0.0029070 k( 166) = ( 0.0635742 0.1029354 0.3184524), wk = 0.0029070 k( 167) = ( 0.0602282 0.0975178 0.3016918), wk = 0.0029070 k( 168) = ( 0.0568822 0.0921001 0.2849311), wk = 0.0029070 k( 169) = ( 0.0535362 0.0866825 0.2681704), wk = 0.0029070 k( 170) = ( 0.0501902 0.0812648 0.2514098), wk = 0.0029070 k( 171) = ( 0.0468442 0.0758472 0.2346491), wk = 0.0029070 k( 172) = ( 0.0434981 0.0704295 0.2178885), wk = 0.0029070 k( 173) = ( 0.0401521 0.0650119 0.2011278), wk = 0.0029070 k( 174) = ( 0.0368061 0.0595942 0.1843672), wk = 0.0029070 k( 175) = ( 0.0334601 0.0541765 0.1676065), wk = 0.0029070 k( 176) = ( 0.0301141 0.0487589 0.1508459), wk = 0.0029070 k( 177) = ( 0.0267681 0.0433412 0.1340852), wk = 0.0029070 k( 178) = ( 0.0234221 0.0379236 0.1173246), wk = 0.0029070 k( 179) = ( 0.0200761 0.0325059 0.1005639), wk = 0.0029070 k( 180) = ( 0.0167301 0.0270883 0.0838033), wk = 0.0029070 k( 181) = ( 0.0133840 0.0216706 0.0670426), wk = 0.0029070 k( 182) = ( 0.0100380 0.0162530 0.0502819), wk = 0.0029070 k( 183) = ( 0.0066920 0.0108353 0.0335213), wk = 0.0029070 k( 184) = ( 0.0033460 0.0054177 0.0167606), wk = 0.0029070 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 187) = ( 0.0151515 -0.0093578 0.0000000), wk = 0.0029070 k( 188) = ( 0.0303030 -0.0187155 0.0000000), wk = 0.0029070 k( 189) = ( 0.0454546 -0.0280733 0.0000000), wk = 0.0029070 k( 190) = ( 0.0606061 -0.0374311 0.0000000), wk = 0.0029070 k( 191) = ( 0.0757576 -0.0467888 0.0000000), wk = 0.0029070 k( 192) = ( 0.0909091 -0.0561466 0.0000000), wk = 0.0029070 k( 193) = ( 0.1060606 -0.0655044 0.0000000), wk = 0.0029070 k( 194) = ( 0.1212121 -0.0748621 0.0000000), wk = 0.0029070 k( 195) = ( 0.1363636 -0.0842199 0.0000000), wk = 0.0029070 k( 196) = ( 0.1515151 -0.0935777 0.0000000), wk = 0.0029070 k( 197) = ( 0.1666667 -0.1029354 0.0000000), wk = 0.0029070 k( 198) = ( 0.1818182 -0.1122932 0.0000000), wk = 0.0029070 k( 199) = ( 0.1969697 -0.1216510 0.0000000), wk = 0.0029070 k( 200) = ( 0.2121212 -0.1310087 0.0000000), wk = 0.0029070 k( 201) = ( 0.2272727 -0.1403665 0.0000000), wk = 0.0029070 k( 202) = ( 0.2424242 -0.1497243 0.0000000), wk = 0.0029070 k( 203) = ( 0.2575758 -0.1590820 0.0000000), wk = 0.0029070 k( 204) = ( 0.2727273 -0.1684398 0.0000000), wk = 0.0029070 k( 205) = ( 0.2878788 -0.1777976 0.0000000), wk = 0.0029070 k( 206) = ( 0.3030303 -0.1871553 0.0000000), wk = 0.0029070 k( 207) = ( 0.3181818 -0.1965131 0.0000000), wk = 0.0029070 k( 208) = ( 0.3333333 -0.2058709 0.0000000), wk = 0.0029070 k( 209) = ( 0.3484849 -0.2152286 0.0000000), wk = 0.0029070 k( 210) = ( 0.3636364 -0.2245864 0.0000000), wk = 0.0029070 k( 211) = ( 0.3787879 -0.2339442 0.0000000), wk = 0.0029070 k( 212) = ( 0.3939394 -0.2433019 0.0000000), wk = 0.0029070 k( 213) = ( 0.4090909 -0.2526597 0.0000000), wk = 0.0029070 k( 214) = ( 0.4242424 -0.2620175 0.0000000), wk = 0.0029070 k( 215) = ( 0.4393939 -0.2713752 0.0000000), wk = 0.0029070 k( 216) = ( 0.4545455 -0.2807330 0.0000000), wk = 0.0029070 k( 217) = ( 0.4696970 -0.2900908 0.0000000), wk = 0.0029070 k( 218) = ( 0.4848485 -0.2994485 0.0000000), wk = 0.0029070 k( 219) = ( 0.5000000 -0.3088063 0.0000000), wk = 0.0029070 k( 220) = ( 0.5000000 -0.3088063 0.0000000), wk = 0.0029070 k( 221) = ( 0.5077319 -0.2962872 -0.0090375), wk = 0.0029070 k( 222) = ( 0.5154639 -0.2837682 -0.0180750), wk = 0.0029070 k( 223) = ( 0.5231958 -0.2712491 -0.0271125), wk = 0.0029070 k( 224) = ( 0.5309277 -0.2587300 -0.0361500), wk = 0.0029070 k( 225) = ( 0.5386597 -0.2462110 -0.0451875), wk = 0.0029070 k( 226) = ( 0.5463916 -0.2336919 -0.0542250), wk = 0.0029070 k( 227) = ( 0.5541235 -0.2211728 -0.0632624), wk = 0.0029070 k( 228) = ( 0.5618555 -0.2086538 -0.0722999), wk = 0.0029070 k( 229) = ( 0.5695874 -0.1961347 -0.0813374), wk = 0.0029070 k( 230) = ( 0.5773193 -0.1836156 -0.0903749), wk = 0.0029070 k( 231) = ( 0.5850513 -0.1710966 -0.0994124), wk = 0.0029070 k( 232) = ( 0.5927832 -0.1585775 -0.1084499), wk = 0.0029070 k( 233) = ( 0.6005151 -0.1460584 -0.1174874), wk = 0.0029070 k( 234) = ( 0.6082471 -0.1335394 -0.1265249), wk = 0.0029070 k( 235) = ( 0.6159790 -0.1210203 -0.1355624), wk = 0.0029070 k( 236) = ( 0.6237109 -0.1085012 -0.1445999), wk = 0.0029070 k( 237) = ( 0.6314429 -0.0959822 -0.1536374), wk = 0.0029070 k( 238) = ( 0.6391748 -0.0834631 -0.1626748), wk = 0.0029070 k( 239) = ( 0.6469067 -0.0709440 -0.1717124), wk = 0.0029070 k( 240) = ( 0.6546387 -0.0584249 -0.1807499), wk = 0.0029070 k( 241) = ( 0.6546387 -0.0584249 -0.1807499), wk = 0.0029070 k( 242) = ( 0.6579289 -0.0530977 -0.1642688), wk = 0.0029070 k( 243) = ( 0.6612190 -0.0477704 -0.1477878), wk = 0.0029070 k( 244) = ( 0.6645092 -0.0424432 -0.1313068), wk = 0.0029070 k( 245) = ( 0.6677994 -0.0371159 -0.1148258), wk = 0.0029070 k( 246) = ( 0.6710896 -0.0317886 -0.0983448), wk = 0.0029070 k( 247) = ( 0.6743798 -0.0264614 -0.0818638), wk = 0.0029070 k( 248) = ( 0.6776700 -0.0211341 -0.0653828), wk = 0.0029070 k( 249) = ( 0.6809601 -0.0158068 -0.0489018), wk = 0.0029070 k( 250) = ( 0.6842503 -0.0104796 -0.0324208), wk = 0.0029070 k( 251) = ( 0.6875405 -0.0051523 -0.0159398), wk = 0.0029070 k( 252) = ( 0.6908307 0.0001749 0.0005412), wk = 0.0029070 k( 253) = ( 0.6941209 0.0055022 0.0170223), wk = 0.0029070 k( 254) = ( 0.6974111 0.0108295 0.0335032), wk = 0.0029070 k( 255) = ( 0.7007013 0.0161567 0.0499843), wk = 0.0029070 k( 256) = ( 0.7039914 0.0214840 0.0664653), wk = 0.0029070 k( 257) = ( 0.7072816 0.0268113 0.0829463), wk = 0.0029070 k( 258) = ( 0.7105718 0.0321385 0.0994273), wk = 0.0029070 k( 259) = ( 0.7138620 0.0374658 0.1159083), wk = 0.0029070 k( 260) = ( 0.7171522 0.0427930 0.1323893), wk = 0.0029070 k( 261) = ( 0.7204424 0.0481203 0.1488703), wk = 0.0029070 k( 262) = ( 0.7237326 0.0534476 0.1653513), wk = 0.0029070 k( 263) = ( 0.7270227 0.0587748 0.1818323), wk = 0.0029070 k( 264) = ( 0.7303129 0.0641021 0.1983133), wk = 0.0029070 k( 265) = ( 0.7336031 0.0694294 0.2147943), wk = 0.0029070 k( 266) = ( 0.7368933 0.0747566 0.2312753), wk = 0.0029070 k( 267) = ( 0.7401835 0.0800839 0.2477563), wk = 0.0029070 k( 268) = ( 0.7434737 0.0854112 0.2642374), wk = 0.0029070 k( 269) = ( 0.7467638 0.0907384 0.2807183), wk = 0.0029070 k( 270) = ( 0.7500540 0.0960657 0.2971993), wk = 0.0029070 k( 271) = ( 0.7533442 0.1013929 0.3136804), wk = 0.0029070 k( 272) = ( 0.7566344 0.1067202 0.3301614), wk = 0.0029070 k( 273) = ( 0.7599246 0.1120475 0.3466424), wk = 0.0029070 k( 274) = ( 0.7632148 0.1173747 0.3631234), wk = 0.0029070 k( 275) = ( 0.7665049 0.1227020 0.3796044), wk = 0.0029070 k( 276) = ( 0.7697951 0.1280292 0.3960854), wk = 0.0029070 k( 277) = ( 0.7730853 0.1333565 0.4125664), wk = 0.0029070 k( 278) = ( 0.7763755 0.1386838 0.4290474), wk = 0.0029070 k( 279) = ( 0.7796657 0.1440110 0.4455284), wk = 0.0029070 k( 280) = ( 0.7829559 0.1493383 0.4620094), wk = 0.0029070 k( 281) = ( 0.7862461 0.1546656 0.4784904), wk = 0.0029070 k( 282) = ( 0.7895362 0.1599928 0.4949714), wk = 0.0029070 k( 283) = ( 0.7928264 0.1653201 0.5114524), wk = 0.0029070 k( 284) = ( 0.7961166 0.1706474 0.5279335), wk = 0.0029070 k( 285) = ( 0.7994068 0.1759746 0.5444144), wk = 0.0029070 k( 286) = ( 0.8026970 0.1813019 0.5608955), wk = 0.0029070 k( 287) = ( 0.8059872 0.1866291 0.5773765), wk = 0.0029070 k( 288) = ( 0.8092774 0.1919564 0.5938575), wk = 0.0029070 k( 289) = ( 0.8092774 0.1919564 0.5938575), wk = 0.0029070 k( 290) = ( 0.7945499 0.1947385 0.6024646), wk = 0.0029070 k( 291) = ( 0.7798224 0.1975207 0.6110718), wk = 0.0029070 k( 292) = ( 0.7650949 0.2003028 0.6196789), wk = 0.0029070 k( 293) = ( 0.7503674 0.2030850 0.6282860), wk = 0.0029070 k( 294) = ( 0.7356399 0.2058671 0.6368931), wk = 0.0029070 k( 295) = ( 0.7209124 0.2086492 0.6455003), wk = 0.0029070 k( 296) = ( 0.7061849 0.2114314 0.6541074), wk = 0.0029070 k( 297) = ( 0.6914574 0.2142135 0.6627145), wk = 0.0029070 k( 298) = ( 0.6767299 0.2169957 0.6713217), wk = 0.0029070 k( 299) = ( 0.6620024 0.2197778 0.6799288), wk = 0.0029070 k( 300) = ( 0.6472749 0.2225599 0.6885360), wk = 0.0029070 k( 301) = ( 0.6325474 0.2253421 0.6971431), wk = 0.0029070 k( 302) = ( 0.6178199 0.2281242 0.7057502), wk = 0.0029070 k( 303) = ( 0.6030925 0.2309064 0.7143574), wk = 0.0029070 k( 304) = ( 0.5883650 0.2336885 0.7229645), wk = 0.0029070 k( 305) = ( 0.5736375 0.2364706 0.7315716), wk = 0.0029070 k( 306) = ( 0.5589100 0.2392528 0.7401788), wk = 0.0029070 k( 307) = ( 0.5441825 0.2420349 0.7487859), wk = 0.0029070 k( 308) = ( 0.5294550 0.2448171 0.7573931), wk = 0.0029070 k( 309) = ( 0.5147275 0.2475992 0.7660002), wk = 0.0029070 k( 310) = ( 0.5000000 0.2503813 0.7746073), wk = 0.0029070 k( 311) = ( 0.5000000 0.2503813 0.7746073), wk = 0.0029070 k( 312) = ( 0.5000000 0.2334363 0.7800846), wk = 0.0029070 k( 313) = ( 0.5000000 0.2164912 0.7855619), wk = 0.0029070 k( 314) = ( 0.5000000 0.1995461 0.7910391), wk = 0.0029070 k( 315) = ( 0.5000000 0.1826010 0.7965164), wk = 0.0029070 k( 316) = ( 0.5000000 0.1656559 0.8019937), wk = 0.0029070 k( 317) = ( 0.5000000 0.1487109 0.8074709), wk = 0.0029070 k( 318) = ( 0.5000000 0.1317658 0.8129482), wk = 0.0029070 k( 319) = ( 0.5000000 0.1148207 0.8184255), wk = 0.0029070 k( 320) = ( 0.5000000 0.0978756 0.8239027), wk = 0.0029070 k( 321) = ( 0.5000000 0.0809305 0.8293800), wk = 0.0029070 k( 322) = ( 0.5000000 0.0639855 0.8348573), wk = 0.0029070 k( 323) = ( 0.5000000 0.0470404 0.8403345), wk = 0.0029070 k( 324) = ( 0.5000000 0.0300953 0.8458118), wk = 0.0029070 k( 325) = ( 0.5000000 0.0131502 0.8512891), wk = 0.0029070 k( 326) = ( 0.5000000 -0.0037949 0.8567664), wk = 0.0029070 k( 327) = ( 0.5000000 -0.0207399 0.8622436), wk = 0.0029070 k( 328) = ( 0.5000000 -0.0376850 0.8677209), wk = 0.0029070 k( 329) = ( 0.5000000 -0.0546301 0.8731982), wk = 0.0029070 k( 330) = ( 0.5000000 -0.0715752 0.8786754), wk = 0.0029070 k( 331) = ( 0.5000000 -0.0885202 0.8841527), wk = 0.0029070 k( 332) = ( 0.5000000 -0.1054653 0.8896300), wk = 0.0029070 k( 333) = ( 0.5000000 -0.1224104 0.8951072), wk = 0.0029070 k( 334) = ( 0.5000000 -0.1393555 0.9005845), wk = 0.0029070 k( 335) = ( 0.5000000 -0.1563006 0.9060618), wk = 0.0029070 k( 336) = ( 0.5000000 -0.1732457 0.9115390), wk = 0.0029070 k( 337) = ( 0.5000000 -0.1901907 0.9170163), wk = 0.0029070 k( 338) = ( 0.5000000 -0.2071358 0.9224936), wk = 0.0029070 k( 339) = ( 0.5000000 -0.2240809 0.9279708), wk = 0.0029070 k( 340) = ( 0.5000000 -0.2410260 0.9334481), wk = 0.0029070 k( 341) = ( 0.5000000 -0.2579710 0.9389254), wk = 0.0029070 k( 342) = ( 0.5000000 -0.2749161 0.9444026), wk = 0.0029070 k( 343) = ( 0.5000000 -0.2918612 0.9498799), wk = 0.0029070 k( 344) = ( 0.5000000 -0.3088063 0.9553572), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0090885 -0.0172273 0.0090885), wk = 0.0029070 k( 3) = ( 0.0181769 -0.0344547 0.0181769), wk = 0.0029070 k( 4) = ( 0.0272654 -0.0516820 0.0272654), wk = 0.0029070 k( 5) = ( 0.0363538 -0.0689093 0.0363538), wk = 0.0029070 k( 6) = ( 0.0454423 -0.0861367 0.0454423), wk = 0.0029070 k( 7) = ( 0.0545307 -0.1033640 0.0545307), wk = 0.0029070 k( 8) = ( 0.0636192 -0.1205913 0.0636192), wk = 0.0029070 k( 9) = ( 0.0727076 -0.1378187 0.0727076), wk = 0.0029070 k( 10) = ( 0.0817961 -0.1550460 0.0817961), wk = 0.0029070 k( 11) = ( 0.0908846 -0.1722733 0.0908846), wk = 0.0029070 k( 12) = ( 0.0999730 -0.1895007 0.0999730), wk = 0.0029070 k( 13) = ( 0.1090615 -0.2067280 0.1090615), wk = 0.0029070 k( 14) = ( 0.1181499 -0.2239553 0.1181499), wk = 0.0029070 k( 15) = ( 0.1272384 -0.2411827 0.1272384), wk = 0.0029070 k( 16) = ( 0.1363268 -0.2584100 0.1363268), wk = 0.0029070 k( 17) = ( 0.1454153 -0.2756373 0.1454153), wk = 0.0029070 k( 18) = ( 0.1545037 -0.2928647 0.1545038), wk = 0.0029070 k( 19) = ( 0.1635922 -0.3100920 0.1635922), wk = 0.0029070 k( 20) = ( 0.1726807 -0.3273193 0.1726807), wk = 0.0029070 k( 21) = ( 0.1817691 -0.3445467 0.1817691), wk = 0.0029070 k( 22) = ( 0.1908576 -0.3617740 0.1908576), wk = 0.0029070 k( 23) = ( 0.1999460 -0.3790013 0.1999460), wk = 0.0029070 k( 24) = ( 0.2090345 -0.3962287 0.2090345), wk = 0.0029070 k( 25) = ( 0.2181229 -0.4134560 0.2181229), wk = 0.0029070 k( 26) = ( 0.2272114 -0.4306833 0.2272114), wk = 0.0029070 k( 27) = ( 0.2362999 -0.4479107 0.2362999), wk = 0.0029070 k( 28) = ( 0.2453883 -0.4651380 0.2453883), wk = 0.0029070 k( 29) = ( 0.2544768 -0.4823653 0.2544768), wk = 0.0029070 k( 30) = ( 0.2635652 -0.4995927 0.2635652), wk = 0.0029070 k( 31) = ( 0.2726537 -0.5168200 0.2726537), wk = 0.0029070 k( 32) = ( 0.2817421 -0.5340473 0.2817421), wk = 0.0029070 k( 33) = ( 0.2908306 -0.5512747 0.2908306), wk = 0.0029070 k( 34) = ( 0.2999191 -0.5685020 0.2999191), wk = 0.0029070 k( 35) = ( 0.3090075 -0.5857293 0.3090075), wk = 0.0029070 k( 36) = ( 0.3180960 -0.6029567 0.3180960), wk = 0.0029070 k( 37) = ( 0.3271844 -0.6201840 0.3271844), wk = 0.0029070 k( 38) = ( 0.3362729 -0.6374113 0.3362729), wk = 0.0029070 k( 39) = ( 0.3453613 -0.6546387 0.3453613), wk = 0.0029070 k( 40) = ( 0.3453613 -0.6546387 0.3453613), wk = 0.0029070 k( 41) = ( 0.3486515 -0.6513485 0.3486515), wk = 0.0029070 k( 42) = ( 0.3519417 -0.6480583 0.3519417), wk = 0.0029070 k( 43) = ( 0.3552319 -0.6447681 0.3552319), wk = 0.0029070 k( 44) = ( 0.3585221 -0.6414779 0.3585221), wk = 0.0029070 k( 45) = ( 0.3618123 -0.6381878 0.3618123), wk = 0.0029070 k( 46) = ( 0.3651024 -0.6348976 0.3651024), wk = 0.0029070 k( 47) = ( 0.3683926 -0.6316074 0.3683926), wk = 0.0029070 k( 48) = ( 0.3716828 -0.6283172 0.3716828), wk = 0.0029070 k( 49) = ( 0.3749730 -0.6250270 0.3749730), wk = 0.0029070 k( 50) = ( 0.3782632 -0.6217368 0.3782632), wk = 0.0029070 k( 51) = ( 0.3815534 -0.6184466 0.3815534), wk = 0.0029070 k( 52) = ( 0.3848435 -0.6151565 0.3848435), wk = 0.0029070 k( 53) = ( 0.3881337 -0.6118663 0.3881337), wk = 0.0029070 k( 54) = ( 0.3914239 -0.6085761 0.3914239), wk = 0.0029070 k( 55) = ( 0.3947141 -0.6052859 0.3947141), wk = 0.0029070 k( 56) = ( 0.3980043 -0.6019957 0.3980043), wk = 0.0029070 k( 57) = ( 0.4012945 -0.5987055 0.4012945), wk = 0.0029070 k( 58) = ( 0.4045846 -0.5954154 0.4045846), wk = 0.0029070 k( 59) = ( 0.4078748 -0.5921252 0.4078748), wk = 0.0029070 k( 60) = ( 0.4111650 -0.5888350 0.4111650), wk = 0.0029070 k( 61) = ( 0.4144552 -0.5855448 0.4144552), wk = 0.0029070 k( 62) = ( 0.4177454 -0.5822546 0.4177454), wk = 0.0029070 k( 63) = ( 0.4210356 -0.5789644 0.4210356), wk = 0.0029070 k( 64) = ( 0.4243258 -0.5756742 0.4243258), wk = 0.0029070 k( 65) = ( 0.4276159 -0.5723841 0.4276159), wk = 0.0029070 k( 66) = ( 0.4309061 -0.5690939 0.4309061), wk = 0.0029070 k( 67) = ( 0.4341963 -0.5658037 0.4341963), wk = 0.0029070 k( 68) = ( 0.4374865 -0.5625135 0.4374865), wk = 0.0029070 k( 69) = ( 0.4407767 -0.5592233 0.4407767), wk = 0.0029070 k( 70) = ( 0.4440669 -0.5559331 0.4440669), wk = 0.0029070 k( 71) = ( 0.4473570 -0.5526429 0.4473570), wk = 0.0029070 k( 72) = ( 0.4506472 -0.5493528 0.4506472), wk = 0.0029070 k( 73) = ( 0.4539374 -0.5460626 0.4539374), wk = 0.0029070 k( 74) = ( 0.4572276 -0.5427724 0.4572276), wk = 0.0029070 k( 75) = ( 0.4605178 -0.5394822 0.4605178), wk = 0.0029070 k( 76) = ( 0.4638080 -0.5361920 0.4638080), wk = 0.0029070 k( 77) = ( 0.4670981 -0.5329019 0.4670981), wk = 0.0029070 k( 78) = ( 0.4703883 -0.5296117 0.4703883), wk = 0.0029070 k( 79) = ( 0.4736785 -0.5263215 0.4736785), wk = 0.0029070 k( 80) = ( 0.4769687 -0.5230313 0.4769687), wk = 0.0029070 k( 81) = ( 0.4802589 -0.5197411 0.4802589), wk = 0.0029070 k( 82) = ( 0.4835491 -0.5164509 0.4835491), wk = 0.0029070 k( 83) = ( 0.4868393 -0.5131607 0.4868393), wk = 0.0029070 k( 84) = ( 0.4901295 -0.5098706 0.4901295), wk = 0.0029070 k( 85) = ( 0.4934196 -0.5065804 0.4934196), wk = 0.0029070 k( 86) = ( 0.4967098 -0.5032902 0.4967098), wk = 0.0029070 k( 87) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0029070 k( 88) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0029070 k( 89) = ( 0.4920698 -0.4822892 0.4920698), wk = 0.0029070 k( 90) = ( 0.4841396 -0.4645783 0.4841396), wk = 0.0029070 k( 91) = ( 0.4762094 -0.4468675 0.4762094), wk = 0.0029070 k( 92) = ( 0.4682792 -0.4291566 0.4682792), wk = 0.0029070 k( 93) = ( 0.4603491 -0.4114458 0.4603491), wk = 0.0029070 k( 94) = ( 0.4524189 -0.3937350 0.4524189), wk = 0.0029070 k( 95) = ( 0.4444887 -0.3760241 0.4444887), wk = 0.0029070 k( 96) = ( 0.4365585 -0.3583133 0.4365585), wk = 0.0029070 k( 97) = ( 0.4286283 -0.3406025 0.4286283), wk = 0.0029070 k( 98) = ( 0.4206981 -0.3228916 0.4206981), wk = 0.0029070 k( 99) = ( 0.4127679 -0.3051808 0.4127679), wk = 0.0029070 k( 100) = ( 0.4048377 -0.2874699 0.4048377), wk = 0.0029070 k( 101) = ( 0.3969075 -0.2697591 0.3969075), wk = 0.0029070 k( 102) = ( 0.3889774 -0.2520483 0.3889774), wk = 0.0029070 k( 103) = ( 0.3810472 -0.2343374 0.3810472), wk = 0.0029070 k( 104) = ( 0.3731170 -0.2166266 0.3731170), wk = 0.0029070 k( 105) = ( 0.3651868 -0.1989158 0.3651868), wk = 0.0029070 k( 106) = ( 0.3572566 -0.1812049 0.3572566), wk = 0.0029070 k( 107) = ( 0.3493264 -0.1634941 0.3493264), wk = 0.0029070 k( 108) = ( 0.3413962 -0.1457833 0.3413962), wk = 0.0029070 k( 109) = ( 0.3334660 -0.1280724 0.3334660), wk = 0.0029070 k( 110) = ( 0.3255359 -0.1103616 0.3255359), wk = 0.0029070 k( 111) = ( 0.3176057 -0.0926507 0.3176057), wk = 0.0029070 k( 112) = ( 0.3096755 -0.0749399 0.3096755), wk = 0.0029070 k( 113) = ( 0.3017453 -0.0572291 0.3017453), wk = 0.0029070 k( 114) = ( 0.2938151 -0.0395182 0.2938151), wk = 0.0029070 k( 115) = ( 0.2858849 -0.0218074 0.2858849), wk = 0.0029070 k( 116) = ( 0.2779547 -0.0040966 0.2779547), wk = 0.0029070 k( 117) = ( 0.2700245 0.0136143 0.2700245), wk = 0.0029070 k( 118) = ( 0.2620943 0.0313251 0.2620944), wk = 0.0029070 k( 119) = ( 0.2541642 0.0490360 0.2541642), wk = 0.0029070 k( 120) = ( 0.2462340 0.0667468 0.2462340), wk = 0.0029070 k( 121) = ( 0.2383038 0.0844576 0.2383038), wk = 0.0029070 k( 122) = ( 0.2303736 0.1021685 0.2303736), wk = 0.0029070 k( 123) = ( 0.2224434 0.1198793 0.2224434), wk = 0.0029070 k( 124) = ( 0.2145132 0.1375901 0.2145132), wk = 0.0029070 k( 125) = ( 0.2065830 0.1553010 0.2065830), wk = 0.0029070 k( 126) = ( 0.1986528 0.1730118 0.1986528), wk = 0.0029070 k( 127) = ( 0.1907226 0.1907226 0.1907227), wk = 0.0029070 k( 128) = ( 0.1907226 0.1907226 0.1907227), wk = 0.0029070 k( 129) = ( 0.1873766 0.1873766 0.1873766), wk = 0.0029070 k( 130) = ( 0.1840306 0.1840306 0.1840306), wk = 0.0029070 k( 131) = ( 0.1806846 0.1806846 0.1806846), wk = 0.0029070 k( 132) = ( 0.1773386 0.1773386 0.1773386), wk = 0.0029070 k( 133) = ( 0.1739926 0.1739926 0.1739926), wk = 0.0029070 k( 134) = ( 0.1706466 0.1706466 0.1706466), wk = 0.0029070 k( 135) = ( 0.1673006 0.1673006 0.1673006), wk = 0.0029070 k( 136) = ( 0.1639546 0.1639546 0.1639546), wk = 0.0029070 k( 137) = ( 0.1606085 0.1606085 0.1606086), wk = 0.0029070 k( 138) = ( 0.1572625 0.1572625 0.1572625), wk = 0.0029070 k( 139) = ( 0.1539165 0.1539165 0.1539165), wk = 0.0029070 k( 140) = ( 0.1505705 0.1505705 0.1505705), wk = 0.0029070 k( 141) = ( 0.1472245 0.1472245 0.1472245), wk = 0.0029070 k( 142) = ( 0.1438785 0.1438785 0.1438785), wk = 0.0029070 k( 143) = ( 0.1405325 0.1405325 0.1405325), wk = 0.0029070 k( 144) = ( 0.1371865 0.1371865 0.1371865), wk = 0.0029070 k( 145) = ( 0.1338405 0.1338405 0.1338405), wk = 0.0029070 k( 146) = ( 0.1304945 0.1304945 0.1304945), wk = 0.0029070 k( 147) = ( 0.1271484 0.1271484 0.1271484), wk = 0.0029070 k( 148) = ( 0.1238024 0.1238024 0.1238024), wk = 0.0029070 k( 149) = ( 0.1204564 0.1204564 0.1204564), wk = 0.0029070 k( 150) = ( 0.1171104 0.1171104 0.1171104), wk = 0.0029070 k( 151) = ( 0.1137644 0.1137644 0.1137644), wk = 0.0029070 k( 152) = ( 0.1104184 0.1104184 0.1104184), wk = 0.0029070 k( 153) = ( 0.1070724 0.1070724 0.1070724), wk = 0.0029070 k( 154) = ( 0.1037264 0.1037264 0.1037264), wk = 0.0029070 k( 155) = ( 0.1003803 0.1003803 0.1003803), wk = 0.0029070 k( 156) = ( 0.0970343 0.0970343 0.0970343), wk = 0.0029070 k( 157) = ( 0.0936883 0.0936883 0.0936883), wk = 0.0029070 k( 158) = ( 0.0903423 0.0903423 0.0903423), wk = 0.0029070 k( 159) = ( 0.0869963 0.0869963 0.0869963), wk = 0.0029070 k( 160) = ( 0.0836503 0.0836503 0.0836503), wk = 0.0029070 k( 161) = ( 0.0803043 0.0803043 0.0803043), wk = 0.0029070 k( 162) = ( 0.0769583 0.0769583 0.0769583), wk = 0.0029070 k( 163) = ( 0.0736123 0.0736123 0.0736123), wk = 0.0029070 k( 164) = ( 0.0702662 0.0702662 0.0702662), wk = 0.0029070 k( 165) = ( 0.0669202 0.0669202 0.0669202), wk = 0.0029070 k( 166) = ( 0.0635742 0.0635742 0.0635742), wk = 0.0029070 k( 167) = ( 0.0602282 0.0602282 0.0602282), wk = 0.0029070 k( 168) = ( 0.0568822 0.0568822 0.0568822), wk = 0.0029070 k( 169) = ( 0.0535362 0.0535362 0.0535362), wk = 0.0029070 k( 170) = ( 0.0501902 0.0501902 0.0501902), wk = 0.0029070 k( 171) = ( 0.0468442 0.0468442 0.0468442), wk = 0.0029070 k( 172) = ( 0.0434981 0.0434981 0.0434982), wk = 0.0029070 k( 173) = ( 0.0401521 0.0401521 0.0401521), wk = 0.0029070 k( 174) = ( 0.0368061 0.0368061 0.0368061), wk = 0.0029070 k( 175) = ( 0.0334601 0.0334601 0.0334601), wk = 0.0029070 k( 176) = ( 0.0301141 0.0301141 0.0301141), wk = 0.0029070 k( 177) = ( 0.0267681 0.0267681 0.0267681), wk = 0.0029070 k( 178) = ( 0.0234221 0.0234221 0.0234221), wk = 0.0029070 k( 179) = ( 0.0200761 0.0200761 0.0200761), wk = 0.0029070 k( 180) = ( 0.0167301 0.0167301 0.0167301), wk = 0.0029070 k( 181) = ( 0.0133840 0.0133840 0.0133841), wk = 0.0029070 k( 182) = ( 0.0100380 0.0100380 0.0100380), wk = 0.0029070 k( 183) = ( 0.0066920 0.0066920 0.0066920), wk = 0.0029070 k( 184) = ( 0.0033460 0.0033460 0.0033460), wk = 0.0029070 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 187) = ( 0.0151515 -0.0151515 0.0000000), wk = 0.0029070 k( 188) = ( 0.0303030 -0.0303030 0.0000000), wk = 0.0029070 k( 189) = ( 0.0454546 -0.0454546 0.0000000), wk = 0.0029070 k( 190) = ( 0.0606061 -0.0606061 0.0000000), wk = 0.0029070 k( 191) = ( 0.0757576 -0.0757576 0.0000000), wk = 0.0029070 k( 192) = ( 0.0909091 -0.0909091 -0.0000000), wk = 0.0029070 k( 193) = ( 0.1060606 -0.1060606 0.0000000), wk = 0.0029070 k( 194) = ( 0.1212121 -0.1212121 0.0000000), wk = 0.0029070 k( 195) = ( 0.1363636 -0.1363636 0.0000000), wk = 0.0029070 k( 196) = ( 0.1515151 -0.1515151 0.0000000), wk = 0.0029070 k( 197) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0029070 k( 198) = ( 0.1818182 -0.1818182 -0.0000000), wk = 0.0029070 k( 199) = ( 0.1969697 -0.1969697 0.0000000), wk = 0.0029070 k( 200) = ( 0.2121212 -0.2121212 -0.0000000), wk = 0.0029070 k( 201) = ( 0.2272727 -0.2272727 0.0000000), wk = 0.0029070 k( 202) = ( 0.2424242 -0.2424242 0.0000000), wk = 0.0029070 k( 203) = ( 0.2575758 -0.2575758 0.0000000), wk = 0.0029070 k( 204) = ( 0.2727273 -0.2727273 0.0000000), wk = 0.0029070 k( 205) = ( 0.2878788 -0.2878788 0.0000000), wk = 0.0029070 k( 206) = ( 0.3030303 -0.3030303 0.0000000), wk = 0.0029070 k( 207) = ( 0.3181818 -0.3181818 0.0000000), wk = 0.0029070 k( 208) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0029070 k( 209) = ( 0.3484849 -0.3484849 0.0000000), wk = 0.0029070 k( 210) = ( 0.3636364 -0.3636364 -0.0000000), wk = 0.0029070 k( 211) = ( 0.3787879 -0.3787879 0.0000000), wk = 0.0029070 k( 212) = ( 0.3939394 -0.3939394 0.0000000), wk = 0.0029070 k( 213) = ( 0.4090909 -0.4090909 0.0000000), wk = 0.0029070 k( 214) = ( 0.4242424 -0.4242424 -0.0000000), wk = 0.0029070 k( 215) = ( 0.4393939 -0.4393939 0.0000000), wk = 0.0029070 k( 216) = ( 0.4545455 -0.4545455 0.0000000), wk = 0.0029070 k( 217) = ( 0.4696970 -0.4696970 0.0000000), wk = 0.0029070 k( 218) = ( 0.4848485 -0.4848485 0.0000000), wk = 0.0029070 k( 219) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0029070 k( 220) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0029070 k( 221) = ( 0.5077319 -0.4922681 -0.0172681), wk = 0.0029070 k( 222) = ( 0.5154639 -0.4845361 -0.0345361), wk = 0.0029070 k( 223) = ( 0.5231958 -0.4768042 -0.0518042), wk = 0.0029070 k( 224) = ( 0.5309277 -0.4690723 -0.0690723), wk = 0.0029070 k( 225) = ( 0.5386597 -0.4613403 -0.0863403), wk = 0.0029070 k( 226) = ( 0.5463916 -0.4536084 -0.1036084), wk = 0.0029070 k( 227) = ( 0.5541235 -0.4458765 -0.1208765), wk = 0.0029070 k( 228) = ( 0.5618555 -0.4381445 -0.1381445), wk = 0.0029070 k( 229) = ( 0.5695874 -0.4304126 -0.1554126), wk = 0.0029070 k( 230) = ( 0.5773193 -0.4226807 -0.1726807), wk = 0.0029070 k( 231) = ( 0.5850513 -0.4149487 -0.1899487), wk = 0.0029070 k( 232) = ( 0.5927832 -0.4072168 -0.2072168), wk = 0.0029070 k( 233) = ( 0.6005151 -0.3994849 -0.2244849), wk = 0.0029070 k( 234) = ( 0.6082471 -0.3917529 -0.2417529), wk = 0.0029070 k( 235) = ( 0.6159790 -0.3840210 -0.2590210), wk = 0.0029070 k( 236) = ( 0.6237109 -0.3762891 -0.2762891), wk = 0.0029070 k( 237) = ( 0.6314429 -0.3685571 -0.2935571), wk = 0.0029070 k( 238) = ( 0.6391748 -0.3608252 -0.3108252), wk = 0.0029070 k( 239) = ( 0.6469067 -0.3530933 -0.3280933), wk = 0.0029070 k( 240) = ( 0.6546387 -0.3453613 -0.3453613), wk = 0.0029070 k( 241) = ( 0.6546387 -0.3453613 -0.3453613), wk = 0.0029070 k( 242) = ( 0.6579289 -0.3420711 -0.3420711), wk = 0.0029070 k( 243) = ( 0.6612190 -0.3387810 -0.3387810), wk = 0.0029070 k( 244) = ( 0.6645092 -0.3354908 -0.3354908), wk = 0.0029070 k( 245) = ( 0.6677994 -0.3322006 -0.3322006), wk = 0.0029070 k( 246) = ( 0.6710896 -0.3289104 -0.3289104), wk = 0.0029070 k( 247) = ( 0.6743798 -0.3256202 -0.3256202), wk = 0.0029070 k( 248) = ( 0.6776700 -0.3223300 -0.3223300), wk = 0.0029070 k( 249) = ( 0.6809601 -0.3190399 -0.3190398), wk = 0.0029070 k( 250) = ( 0.6842503 -0.3157497 -0.3157497), wk = 0.0029070 k( 251) = ( 0.6875405 -0.3124595 -0.3124595), wk = 0.0029070 k( 252) = ( 0.6908307 -0.3091693 -0.3091693), wk = 0.0029070 k( 253) = ( 0.6941209 -0.3058791 -0.3058791), wk = 0.0029070 k( 254) = ( 0.6974111 -0.3025889 -0.3025889), wk = 0.0029070 k( 255) = ( 0.7007013 -0.2992987 -0.2992987), wk = 0.0029070 k( 256) = ( 0.7039914 -0.2960086 -0.2960086), wk = 0.0029070 k( 257) = ( 0.7072816 -0.2927184 -0.2927184), wk = 0.0029070 k( 258) = ( 0.7105718 -0.2894282 -0.2894282), wk = 0.0029070 k( 259) = ( 0.7138620 -0.2861380 -0.2861380), wk = 0.0029070 k( 260) = ( 0.7171522 -0.2828478 -0.2828478), wk = 0.0029070 k( 261) = ( 0.7204424 -0.2795576 -0.2795576), wk = 0.0029070 k( 262) = ( 0.7237326 -0.2762675 -0.2762674), wk = 0.0029070 k( 263) = ( 0.7270227 -0.2729773 -0.2729773), wk = 0.0029070 k( 264) = ( 0.7303129 -0.2696871 -0.2696871), wk = 0.0029070 k( 265) = ( 0.7336031 -0.2663969 -0.2663969), wk = 0.0029070 k( 266) = ( 0.7368933 -0.2631067 -0.2631067), wk = 0.0029070 k( 267) = ( 0.7401835 -0.2598165 -0.2598165), wk = 0.0029070 k( 268) = ( 0.7434737 -0.2565263 -0.2565263), wk = 0.0029070 k( 269) = ( 0.7467638 -0.2532362 -0.2532362), wk = 0.0029070 k( 270) = ( 0.7500540 -0.2499460 -0.2499460), wk = 0.0029070 k( 271) = ( 0.7533442 -0.2466558 -0.2466558), wk = 0.0029070 k( 272) = ( 0.7566344 -0.2433656 -0.2433656), wk = 0.0029070 k( 273) = ( 0.7599246 -0.2400754 -0.2400754), wk = 0.0029070 k( 274) = ( 0.7632148 -0.2367852 -0.2367852), wk = 0.0029070 k( 275) = ( 0.7665049 -0.2334950 -0.2334950), wk = 0.0029070 k( 276) = ( 0.7697951 -0.2302049 -0.2302049), wk = 0.0029070 k( 277) = ( 0.7730853 -0.2269147 -0.2269147), wk = 0.0029070 k( 278) = ( 0.7763755 -0.2236245 -0.2236245), wk = 0.0029070 k( 279) = ( 0.7796657 -0.2203343 -0.2203343), wk = 0.0029070 k( 280) = ( 0.7829559 -0.2170441 -0.2170441), wk = 0.0029070 k( 281) = ( 0.7862461 -0.2137539 -0.2137539), wk = 0.0029070 k( 282) = ( 0.7895362 -0.2104638 -0.2104638), wk = 0.0029070 k( 283) = ( 0.7928264 -0.2071736 -0.2071736), wk = 0.0029070 k( 284) = ( 0.7961166 -0.2038834 -0.2038834), wk = 0.0029070 k( 285) = ( 0.7994068 -0.2005932 -0.2005932), wk = 0.0029070 k( 286) = ( 0.8026970 -0.1973030 -0.1973030), wk = 0.0029070 k( 287) = ( 0.8059872 -0.1940128 -0.1940128), wk = 0.0029070 k( 288) = ( 0.8092774 -0.1907226 -0.1907226), wk = 0.0029070 k( 289) = ( 0.8092774 -0.1907226 -0.1907226), wk = 0.0029070 k( 290) = ( 0.7945499 -0.1816406 -0.1816406), wk = 0.0029070 k( 291) = ( 0.7798224 -0.1725586 -0.1725586), wk = 0.0029070 k( 292) = ( 0.7650949 -0.1634766 -0.1634766), wk = 0.0029070 k( 293) = ( 0.7503674 -0.1543945 -0.1543945), wk = 0.0029070 k( 294) = ( 0.7356399 -0.1453125 -0.1453125), wk = 0.0029070 k( 295) = ( 0.7209124 -0.1362305 -0.1362305), wk = 0.0029070 k( 296) = ( 0.7061849 -0.1271484 -0.1271484), wk = 0.0029070 k( 297) = ( 0.6914574 -0.1180664 -0.1180664), wk = 0.0029070 k( 298) = ( 0.6767299 -0.1089844 -0.1089844), wk = 0.0029070 k( 299) = ( 0.6620024 -0.0999023 -0.0999023), wk = 0.0029070 k( 300) = ( 0.6472749 -0.0908203 -0.0908203), wk = 0.0029070 k( 301) = ( 0.6325474 -0.0817383 -0.0817383), wk = 0.0029070 k( 302) = ( 0.6178199 -0.0726563 -0.0726562), wk = 0.0029070 k( 303) = ( 0.6030925 -0.0635742 -0.0635742), wk = 0.0029070 k( 304) = ( 0.5883650 -0.0544922 -0.0544922), wk = 0.0029070 k( 305) = ( 0.5736375 -0.0454102 -0.0454102), wk = 0.0029070 k( 306) = ( 0.5589100 -0.0363281 -0.0363281), wk = 0.0029070 k( 307) = ( 0.5441825 -0.0272461 -0.0272461), wk = 0.0029070 k( 308) = ( 0.5294550 -0.0181641 -0.0181641), wk = 0.0029070 k( 309) = ( 0.5147275 -0.0090820 -0.0090820), wk = 0.0029070 k( 310) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029070 k( 311) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029070 k( 312) = ( 0.5000000 -0.0151515 0.0151515), wk = 0.0029070 k( 313) = ( 0.5000000 -0.0303030 0.0303030), wk = 0.0029070 k( 314) = ( 0.5000000 -0.0454545 0.0454546), wk = 0.0029070 k( 315) = ( 0.5000000 -0.0606061 0.0606061), wk = 0.0029070 k( 316) = ( 0.5000000 -0.0757576 0.0757576), wk = 0.0029070 k( 317) = ( 0.5000000 -0.0909091 0.0909091), wk = 0.0029070 k( 318) = ( 0.5000000 -0.1060606 0.1060606), wk = 0.0029070 k( 319) = ( 0.5000000 -0.1212121 0.1212121), wk = 0.0029070 k( 320) = ( 0.5000000 -0.1363636 0.1363636), wk = 0.0029070 k( 321) = ( 0.5000000 -0.1515151 0.1515152), wk = 0.0029070 k( 322) = ( 0.5000000 -0.1666667 0.1666667), wk = 0.0029070 k( 323) = ( 0.5000000 -0.1818182 0.1818182), wk = 0.0029070 k( 324) = ( 0.5000000 -0.1969697 0.1969697), wk = 0.0029070 k( 325) = ( 0.5000000 -0.2121212 0.2121212), wk = 0.0029070 k( 326) = ( 0.5000000 -0.2272727 0.2272727), wk = 0.0029070 k( 327) = ( 0.5000000 -0.2424242 0.2424242), wk = 0.0029070 k( 328) = ( 0.5000000 -0.2575758 0.2575758), wk = 0.0029070 k( 329) = ( 0.5000000 -0.2727273 0.2727273), wk = 0.0029070 k( 330) = ( 0.5000000 -0.2878788 0.2878788), wk = 0.0029070 k( 331) = ( 0.5000000 -0.3030303 0.3030303), wk = 0.0029070 k( 332) = ( 0.5000000 -0.3181818 0.3181818), wk = 0.0029070 k( 333) = ( 0.5000000 -0.3333333 0.3333333), wk = 0.0029070 k( 334) = ( 0.5000000 -0.3484849 0.3484849), wk = 0.0029070 k( 335) = ( 0.5000000 -0.3636364 0.3636364), wk = 0.0029070 k( 336) = ( 0.5000000 -0.3787879 0.3787879), wk = 0.0029070 k( 337) = ( 0.5000000 -0.3939394 0.3939394), wk = 0.0029070 k( 338) = ( 0.5000000 -0.4090909 0.4090909), wk = 0.0029070 k( 339) = ( 0.5000000 -0.4242424 0.4242424), wk = 0.0029070 k( 340) = ( 0.5000000 -0.4393939 0.4393939), wk = 0.0029070 k( 341) = ( 0.5000000 -0.4545455 0.4545455), wk = 0.0029070 k( 342) = ( 0.5000000 -0.4696970 0.4696970), wk = 0.0029070 k( 343) = ( 0.5000000 -0.4848485 0.4848485), wk = 0.0029070 k( 344) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0029070 Dense grid: 34677 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 20799 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 148, 58) NL pseudopotentials 0.23 Mb ( 74, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 963) G-vector shells 0.01 Mb ( 785) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 148, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.36 Mb ( 204, 2, 58) The potential is recalculated from file : ./NiS.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.8 secs Computing kpt #: 8 total cpu time spent up to now is 9.6 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 11.2 secs Computing kpt #: 11 total cpu time spent up to now is 11.9 secs Computing kpt #: 12 total cpu time spent up to now is 12.6 secs Computing kpt #: 13 total cpu time spent up to now is 13.4 secs Computing kpt #: 14 total cpu time spent up to now is 14.1 secs Computing kpt #: 15 total cpu time spent up to now is 14.9 secs Computing kpt #: 16 total cpu time spent up to now is 15.7 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.0 secs Computing kpt #: 20 total cpu time spent up to now is 18.8 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.4 secs Computing kpt #: 23 total cpu time spent up to now is 21.1 secs Computing kpt #: 24 total cpu time spent up to now is 21.9 secs Computing kpt #: 25 total cpu time spent up to now is 22.6 secs Computing kpt #: 26 total cpu time spent up to now is 23.4 secs Computing kpt #: 27 total cpu time spent up to now is 24.2 secs Computing kpt #: 28 total cpu time spent up to now is 24.8 secs Computing kpt #: 29 total cpu time spent up to now is 25.6 secs Computing kpt #: 30 total cpu time spent up to now is 26.3 secs Computing kpt #: 31 total cpu time spent up to now is 27.4 secs Computing kpt #: 32 total cpu time spent up to now is 28.2 secs Computing kpt #: 33 total cpu time spent up to now is 29.0 secs Computing kpt #: 34 total cpu time spent up to now is 29.7 secs Computing kpt #: 35 total cpu time spent up to now is 30.4 secs Computing kpt #: 36 total cpu time spent up to now is 31.1 secs Computing kpt #: 37 total cpu time spent up to now is 31.9 secs Computing kpt #: 38 total cpu time spent up to now is 32.6 secs Computing kpt #: 39 total cpu time spent up to now is 33.4 secs Computing kpt #: 40 total cpu time spent up to now is 34.3 secs Computing kpt #: 41 total cpu time spent up to now is 35.1 secs Computing kpt #: 42 total cpu time spent up to now is 35.9 secs Computing kpt #: 43 total cpu time spent up to now is 36.7 secs Computing kpt #: 44 total cpu time spent up to now is 37.4 secs Computing kpt #: 45 total cpu time spent up to now is 38.2 secs Computing kpt #: 46 total cpu time spent up to now is 39.0 secs Computing kpt #: 47 total cpu time spent up to now is 39.9 secs Computing kpt #: 48 total cpu time spent up to now is 40.7 secs Computing kpt #: 49 total cpu time spent up to now is 41.5 secs Computing kpt #: 50 total cpu time spent up to now is 42.3 secs Computing kpt #: 51 total cpu time spent up to now is 43.2 secs Computing kpt #: 52 total cpu time spent up to now is 44.1 secs Computing kpt #: 53 total cpu time spent up to now is 45.3 secs Computing kpt #: 54 total cpu time spent up to now is 46.2 secs Computing kpt #: 55 total cpu time spent up to now is 47.1 secs Computing kpt #: 56 total cpu time spent up to now is 48.9 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.8 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 59 total cpu time spent up to now is 54.7 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.6 secs Computing kpt #: 61 total cpu time spent up to now is 58.3 secs Computing kpt #: 62 total cpu time spent up to now is 59.2 secs Computing kpt #: 63 total cpu time spent up to now is 60.3 secs Computing kpt #: 64 total cpu time spent up to now is 61.2 secs Computing kpt #: 65 total cpu time spent up to now is 62.2 secs Computing kpt #: 66 total cpu time spent up to now is 63.1 secs Computing kpt #: 67 total cpu time spent up to now is 63.8 secs Computing kpt #: 68 total cpu time spent up to now is 64.6 secs Computing kpt #: 69 total cpu time spent up to now is 65.4 secs Computing kpt #: 70 total cpu time spent up to now is 66.1 secs Computing kpt #: 71 total cpu time spent up to now is 66.8 secs Computing kpt #: 72 total cpu time spent up to now is 67.6 secs Computing kpt #: 73 total cpu time spent up to now is 68.4 secs Computing kpt #: 74 total cpu time spent up to now is 69.1 secs Computing kpt #: 75 total cpu time spent up to now is 69.8 secs Computing kpt #: 76 total cpu time spent up to now is 70.6 secs Computing kpt #: 77 total cpu time spent up to now is 71.4 secs Computing kpt #: 78 total cpu time spent up to now is 72.1 secs Computing kpt #: 79 total cpu time spent up to now is 73.0 secs Computing kpt #: 80 total cpu time spent up to now is 73.9 secs Computing kpt #: 81 total cpu time spent up to now is 74.7 secs Computing kpt #: 82 total cpu time spent up to now is 75.4 secs Computing kpt #: 83 total cpu time spent up to now is 76.2 secs Computing kpt #: 84 total cpu time spent up to now is 77.0 secs Computing kpt #: 85 total cpu time spent up to now is 77.8 secs Computing kpt #: 86 total cpu time spent up to now is 78.6 secs Computing kpt #: 87 total cpu time spent up to now is 79.3 secs Computing kpt #: 88 total cpu time spent up to now is 80.1 secs Computing kpt #: 89 total cpu time spent up to now is 80.8 secs Computing kpt #: 90 total cpu time spent up to now is 81.5 secs Computing kpt #: 91 total cpu time spent up to now is 82.3 secs Computing kpt #: 92 total cpu time spent up to now is 83.0 secs Computing kpt #: 93 total cpu time spent up to now is 83.7 secs Computing kpt #: 94 total cpu time spent up to now is 84.4 secs Computing kpt #: 95 total cpu time spent up to now is 85.1 secs Computing kpt #: 96 total cpu time spent up to now is 85.8 secs Computing kpt #: 97 total cpu time spent up to now is 86.5 secs Computing kpt #: 98 total cpu time spent up to now is 87.2 secs Computing kpt #: 99 total cpu time spent up to now is 88.0 secs Computing kpt #: 100 total cpu time spent up to now is 88.7 secs Computing kpt #: 101 total cpu time spent up to now is 89.4 secs Computing kpt #: 102 total cpu time spent up to now is 90.1 secs Computing kpt #: 103 total cpu time spent up to now is 90.8 secs Computing kpt #: 104 total cpu time spent up to now is 91.4 secs Computing kpt #: 105 total cpu time spent up to now is 92.1 secs Computing kpt #: 106 total cpu time spent up to now is 92.8 secs Computing kpt #: 107 total cpu time spent up to now is 93.4 secs Computing kpt #: 108 total cpu time spent up to now is 94.1 secs Computing kpt #: 109 total cpu time spent up to now is 94.8 secs Computing kpt #: 110 total cpu time spent up to now is 95.4 secs Computing kpt #: 111 total cpu time spent up to now is 96.1 secs Computing kpt #: 112 total cpu time spent up to now is 96.8 secs Computing kpt #: 113 total cpu time spent up to now is 97.5 secs Computing kpt #: 114 total cpu time spent up to now is 98.2 secs Computing kpt #: 115 total cpu time spent up to now is 98.9 secs Computing kpt #: 116 total cpu time spent up to now is 99.6 secs Computing kpt #: 117 total cpu time spent up to now is 100.3 secs Computing kpt #: 118 total cpu time spent up to now is 101.0 secs Computing kpt #: 119 total cpu time spent up to now is 101.7 secs Computing kpt #: 120 total cpu time spent up to now is 102.5 secs Computing kpt #: 121 total cpu time spent up to now is 103.2 secs Computing kpt #: 122 total cpu time spent up to now is 103.9 secs Computing kpt #: 123 total cpu time spent up to now is 104.7 secs Computing kpt #: 124 total cpu time spent up to now is 105.4 secs Computing kpt #: 125 total cpu time spent up to now is 106.2 secs Computing kpt #: 126 total cpu time spent up to now is 107.0 secs Computing kpt #: 127 total cpu time spent up to now is 107.8 secs Computing kpt #: 128 total cpu time spent up to now is 108.6 secs Computing kpt #: 129 total cpu time spent up to now is 109.3 secs Computing kpt #: 130 total cpu time spent up to now is 110.0 secs Computing kpt #: 131 total cpu time spent up to now is 110.8 secs Computing kpt #: 132 total cpu time spent up to now is 111.5 secs Computing kpt #: 133 total cpu time spent up to now is 112.2 secs Computing kpt #: 134 total cpu time spent up to now is 113.0 secs Computing kpt #: 135 total cpu time spent up to now is 113.7 secs Computing kpt #: 136 total cpu time spent up to now is 114.4 secs Computing kpt #: 137 total cpu time spent up to now is 115.1 secs Computing kpt #: 138 total cpu time spent up to now is 115.9 secs Computing kpt #: 139 total cpu time spent up to now is 116.6 secs Computing kpt #: 140 total cpu time spent up to now is 117.3 secs Computing kpt #: 141 total cpu time spent up to now is 118.0 secs Computing kpt #: 142 total cpu time spent up to now is 118.8 secs Computing kpt #: 143 total cpu time spent up to now is 119.6 secs Computing kpt #: 144 total cpu time spent up to now is 120.6 secs Computing kpt #: 145 total cpu time spent up to now is 121.7 secs Computing kpt #: 146 total cpu time spent up to now is 122.9 secs Computing kpt #: 147 total cpu time spent up to now is 124.0 secs Computing kpt #: 148 total cpu time spent up to now is 125.1 secs Computing kpt #: 149 total cpu time spent up to now is 126.2 secs Computing kpt #: 150 total cpu time spent up to now is 127.3 secs Computing kpt #: 151 total cpu time spent up to now is 128.4 secs Computing kpt #: 152 total cpu time spent up to now is 129.6 secs Computing kpt #: 153 total cpu time spent up to now is 130.4 secs Computing kpt #: 154 total cpu time spent up to now is 131.7 secs Computing kpt #: 155 total cpu time spent up to now is 132.5 secs Computing kpt #: 156 total cpu time spent up to now is 133.3 secs Computing kpt #: 157 total cpu time spent up to now is 134.0 secs Computing kpt #: 158 total cpu time spent up to now is 134.8 secs Computing kpt #: 159 total cpu time spent up to now is 135.6 secs Computing kpt #: 160 total cpu time spent up to now is 136.4 secs Computing kpt #: 161 total cpu time spent up to now is 137.3 secs Computing kpt #: 162 total cpu time spent up to now is 138.2 secs Computing kpt #: 163 total cpu time spent up to now is 139.1 secs Computing kpt #: 164 total cpu time spent up to now is 140.1 secs Computing kpt #: 165 total cpu time spent up to now is 140.9 secs Computing kpt #: 166 total cpu time spent up to now is 141.8 secs Computing kpt #: 167 total cpu time spent up to now is 142.7 secs Computing kpt #: 168 total cpu time spent up to now is 143.7 secs Computing kpt #: 169 total cpu time spent up to now is 144.9 secs Computing kpt #: 170 total cpu time spent up to now is 145.7 secs Computing kpt #: 171 total cpu time spent up to now is 146.6 secs Computing kpt #: 172 total cpu time spent up to now is 147.4 secs Computing kpt #: 173 total cpu time spent up to now is 148.2 secs Computing kpt #: 174 total cpu time spent up to now is 149.0 secs Computing kpt #: 175 total cpu time spent up to now is 149.9 secs Computing kpt #: 176 total cpu time spent up to now is 150.7 secs Computing kpt #: 177 total cpu time spent up to now is 151.5 secs Computing kpt #: 178 total cpu time spent up to now is 152.4 secs Computing kpt #: 179 total cpu time spent up to now is 153.2 secs Computing kpt #: 180 total cpu time spent up to now is 154.1 secs Computing kpt #: 181 total cpu time spent up to now is 154.9 secs Computing kpt #: 182 total cpu time spent up to now is 155.7 secs Computing kpt #: 183 total cpu time spent up to now is 156.6 secs Computing kpt #: 184 total cpu time spent up to now is 157.4 secs Computing kpt #: 185 total cpu time spent up to now is 158.2 secs Computing kpt #: 186 total cpu time spent up to now is 159.0 secs Computing kpt #: 187 total cpu time spent up to now is 159.9 secs Computing kpt #: 188 total cpu time spent up to now is 160.7 secs Computing kpt #: 189 total cpu time spent up to now is 161.5 secs Computing kpt #: 190 total cpu time spent up to now is 162.3 secs Computing kpt #: 191 total cpu time spent up to now is 163.0 secs Computing kpt #: 192 total cpu time spent up to now is 163.8 secs Computing kpt #: 193 total cpu time spent up to now is 164.5 secs Computing kpt #: 194 total cpu time spent up to now is 165.3 secs Computing kpt #: 195 total cpu time spent up to now is 166.0 secs Computing kpt #: 196 total cpu time spent up to now is 166.7 secs Computing kpt #: 197 total cpu time spent up to now is 167.4 secs Computing kpt #: 198 total cpu time spent up to now is 168.2 secs Computing kpt #: 199 total cpu time spent up to now is 169.0 secs Computing kpt #: 200 total cpu time spent up to now is 169.7 secs Computing kpt #: 201 total cpu time spent up to now is 170.4 secs Computing kpt #: 202 total cpu time spent up to now is 171.2 secs Computing kpt #: 203 total cpu time spent up to now is 171.9 secs Computing kpt #: 204 total cpu time spent up to now is 172.7 secs Computing kpt #: 205 total cpu time spent up to now is 173.5 secs Computing kpt #: 206 total cpu time spent up to now is 174.2 secs Computing kpt #: 207 total cpu time spent up to now is 174.9 secs Computing kpt #: 208 total cpu time spent up to now is 175.7 secs Computing kpt #: 209 total cpu time spent up to now is 176.4 secs Computing kpt #: 210 total cpu time spent up to now is 177.1 secs Computing kpt #: 211 total cpu time spent up to now is 177.9 secs Computing kpt #: 212 total cpu time spent up to now is 178.6 secs Computing kpt #: 213 total cpu time spent up to now is 179.4 secs Computing kpt #: 214 total cpu time spent up to now is 180.2 secs Computing kpt #: 215 total cpu time spent up to now is 180.9 secs Computing kpt #: 216 total cpu time spent up to now is 181.7 secs Computing kpt #: 217 total cpu time spent up to now is 182.4 secs Computing kpt #: 218 total cpu time spent up to now is 183.2 secs Computing kpt #: 219 total cpu time spent up to now is 183.9 secs Computing kpt #: 220 total cpu time spent up to now is 184.7 secs Computing kpt #: 221 total cpu time spent up to now is 185.5 secs Computing kpt #: 222 total cpu time spent up to now is 186.3 secs Computing kpt #: 223 total cpu time spent up to now is 187.1 secs Computing kpt #: 224 total cpu time spent up to now is 187.8 secs Computing kpt #: 225 total cpu time spent up to now is 188.6 secs Computing kpt #: 226 total cpu time spent up to now is 189.4 secs Computing kpt #: 227 total cpu time spent up to now is 190.2 secs Computing kpt #: 228 total cpu time spent up to now is 190.9 secs Computing kpt #: 229 total cpu time spent up to now is 191.7 secs Computing kpt #: 230 total cpu time spent up to now is 192.4 secs Computing kpt #: 231 total cpu time spent up to now is 193.2 secs Computing kpt #: 232 total cpu time spent up to now is 193.9 secs Computing kpt #: 233 total cpu time spent up to now is 194.6 secs Computing kpt #: 234 total cpu time spent up to now is 195.3 secs Computing kpt #: 235 total cpu time spent up to now is 196.0 secs Computing kpt #: 236 total cpu time spent up to now is 196.8 secs Computing kpt #: 237 total cpu time spent up to now is 197.5 secs Computing kpt #: 238 total cpu time spent up to now is 198.3 secs Computing kpt #: 239 total cpu time spent up to now is 199.1 secs Computing kpt #: 240 total cpu time spent up to now is 199.9 secs Computing kpt #: 241 total cpu time spent up to now is 200.7 secs Computing kpt #: 242 total cpu time spent up to now is 201.5 secs Computing kpt #: 243 total cpu time spent up to now is 202.3 secs Computing kpt #: 244 total cpu time spent up to now is 203.1 secs Computing kpt #: 245 total cpu time spent up to now is 203.9 secs Computing kpt #: 246 total cpu time spent up to now is 204.7 secs Computing kpt #: 247 total cpu time spent up to now is 205.6 secs Computing kpt #: 248 total cpu time spent up to now is 206.4 secs Computing kpt #: 249 total cpu time spent up to now is 207.2 secs Computing kpt #: 250 total cpu time spent up to now is 208.0 secs Computing kpt #: 251 total cpu time spent up to now is 208.9 secs Computing kpt #: 252 total cpu time spent up to now is 209.8 secs Computing kpt #: 253 total cpu time spent up to now is 210.6 secs Computing kpt #: 254 total cpu time spent up to now is 211.4 secs Computing kpt #: 255 total cpu time spent up to now is 212.2 secs Computing kpt #: 256 total cpu time spent up to now is 213.1 secs Computing kpt #: 257 total cpu time spent up to now is 214.0 secs Computing kpt #: 258 total cpu time spent up to now is 214.8 secs Computing kpt #: 259 total cpu time spent up to now is 215.7 secs Computing kpt #: 260 total cpu time spent up to now is 216.6 secs Computing kpt #: 261 total cpu time spent up to now is 217.4 secs Computing kpt #: 262 total cpu time spent up to now is 218.2 secs Computing kpt #: 263 total cpu time spent up to now is 219.1 secs Computing kpt #: 264 total cpu time spent up to now is 220.0 secs Computing kpt #: 265 total cpu time spent up to now is 220.9 secs Computing kpt #: 266 total cpu time spent up to now is 221.7 secs Computing kpt #: 267 total cpu time spent up to now is 222.6 secs Computing kpt #: 268 total cpu time spent up to now is 223.3 secs Computing kpt #: 269 total cpu time spent up to now is 224.2 secs Computing kpt #: 270 total cpu time spent up to now is 225.0 secs Computing kpt #: 271 total cpu time spent up to now is 225.8 secs Computing kpt #: 272 total cpu time spent up to now is 226.6 secs Computing kpt #: 273 total cpu time spent up to now is 227.5 secs Computing kpt #: 274 total cpu time spent up to now is 228.3 secs Computing kpt #: 275 total cpu time spent up to now is 229.0 secs Computing kpt #: 276 total cpu time spent up to now is 229.8 secs Computing kpt #: 277 total cpu time spent up to now is 230.5 secs Computing kpt #: 278 total cpu time spent up to now is 231.2 secs Computing kpt #: 279 total cpu time spent up to now is 231.9 secs Computing kpt #: 280 total cpu time spent up to now is 232.6 secs Computing kpt #: 281 total cpu time spent up to now is 233.3 secs Computing kpt #: 282 total cpu time spent up to now is 234.0 secs Computing kpt #: 283 total cpu time spent up to now is 234.7 secs Computing kpt #: 284 total cpu time spent up to now is 235.5 secs Computing kpt #: 285 total cpu time spent up to now is 236.2 secs Computing kpt #: 286 total cpu time spent up to now is 236.9 secs Computing kpt #: 287 total cpu time spent up to now is 237.7 secs Computing kpt #: 288 total cpu time spent up to now is 238.5 secs Computing kpt #: 289 total cpu time spent up to now is 239.2 secs Computing kpt #: 290 total cpu time spent up to now is 240.0 secs Computing kpt #: 291 total cpu time spent up to now is 240.7 secs Computing kpt #: 292 total cpu time spent up to now is 241.5 secs Computing kpt #: 293 total cpu time spent up to now is 242.2 secs Computing kpt #: 294 total cpu time spent up to now is 243.0 secs Computing kpt #: 295 total cpu time spent up to now is 243.7 secs Computing kpt #: 296 total cpu time spent up to now is 244.5 secs Computing kpt #: 297 total cpu time spent up to now is 245.2 secs Computing kpt #: 298 total cpu time spent up to now is 245.9 secs Computing kpt #: 299 total cpu time spent up to now is 246.6 secs Computing kpt #: 300 total cpu time spent up to now is 247.3 secs Computing kpt #: 301 total cpu time spent up to now is 248.0 secs Computing kpt #: 302 total cpu time spent up to now is 248.7 secs Computing kpt #: 303 total cpu time spent up to now is 249.4 secs Computing kpt #: 304 total cpu time spent up to now is 250.1 secs Computing kpt #: 305 total cpu time spent up to now is 250.8 secs Computing kpt #: 306 total cpu time spent up to now is 251.5 secs Computing kpt #: 307 total cpu time spent up to now is 252.2 secs Computing kpt #: 308 total cpu time spent up to now is 252.8 secs Computing kpt #: 309 total cpu time spent up to now is 253.5 secs Computing kpt #: 310 total cpu time spent up to now is 254.2 secs Computing kpt #: 311 total cpu time spent up to now is 254.9 secs Computing kpt #: 312 total cpu time spent up to now is 255.6 secs Computing kpt #: 313 total cpu time spent up to now is 256.2 secs Computing kpt #: 314 total cpu time spent up to now is 256.9 secs Computing kpt #: 315 total cpu time spent up to now is 257.6 secs Computing kpt #: 316 total cpu time spent up to now is 258.2 secs Computing kpt #: 317 total cpu time spent up to now is 258.9 secs Computing kpt #: 318 total cpu time spent up to now is 259.6 secs Computing kpt #: 319 total cpu time spent up to now is 260.2 secs Computing kpt #: 320 total cpu time spent up to now is 261.0 secs Computing kpt #: 321 total cpu time spent up to now is 261.6 secs Computing kpt #: 322 total cpu time spent up to now is 262.3 secs Computing kpt #: 323 total cpu time spent up to now is 263.0 secs Computing kpt #: 324 total cpu time spent up to now is 263.7 secs Computing kpt #: 325 total cpu time spent up to now is 264.4 secs Computing kpt #: 326 total cpu time spent up to now is 265.0 secs Computing kpt #: 327 total cpu time spent up to now is 265.7 secs Computing kpt #: 328 total cpu time spent up to now is 266.4 secs Computing kpt #: 329 total cpu time spent up to now is 267.0 secs Computing kpt #: 330 total cpu time spent up to now is 267.7 secs Computing kpt #: 331 total cpu time spent up to now is 268.4 secs Computing kpt #: 332 total cpu time spent up to now is 269.1 secs Computing kpt #: 333 total cpu time spent up to now is 269.9 secs Computing kpt #: 334 total cpu time spent up to now is 270.6 secs Computing kpt #: 335 total cpu time spent up to now is 271.3 secs Computing kpt #: 336 total cpu time spent up to now is 272.1 secs Computing kpt #: 337 total cpu time spent up to now is 272.8 secs Computing kpt #: 338 total cpu time spent up to now is 273.5 secs Computing kpt #: 339 total cpu time spent up to now is 274.2 secs Computing kpt #: 340 total cpu time spent up to now is 275.0 secs Computing kpt #: 341 total cpu time spent up to now is 275.7 secs Computing kpt #: 342 total cpu time spent up to now is 276.5 secs Computing kpt #: 343 total cpu time spent up to now is 277.2 secs Computing kpt #: 344 total cpu time spent up to now is 278.0 secs ethr = 2.08E-08, avg # of iterations = 21.5 total cpu time spent up to now is 278.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2585 PWs) bands (ev): -5.8330 -5.8330 -2.9195 -2.9195 -2.9101 -2.9101 3.2968 3.2968 3.6227 3.6227 3.6486 3.6486 6.4037 6.4037 6.4918 6.4918 6.9645 6.9645 7.0057 7.0057 7.5550 7.5550 7.5975 7.5975 7.9559 7.9559 8.8508 8.8508 8.8912 8.8912 8.9097 8.9097 9.0113 9.0113 9.1574 9.1574 9.1599 9.1599 9.1948 9.1948 9.5228 9.5228 9.6876 9.6876 11.1978 11.1978 11.4148 11.4148 11.4419 11.4419 12.3888 12.3888 12.4098 12.4098 14.0718 14.0718 16.0912 16.0912 k = 0.0091-0.0147 0.0048 ( 2586 PWs) bands (ev): -5.8323 -5.8323 -2.9205 -2.9204 -2.9110 -2.9110 3.2925 3.2930 3.6254 3.6255 3.6520 3.6528 6.4037 6.4039 6.4941 6.4948 6.9646 6.9646 7.0056 7.0061 7.5542 7.5545 7.5962 7.5975 7.9553 7.9570 8.8495 8.8514 8.8903 8.8907 8.9091 8.9099 9.0086 9.0128 9.1462 9.1479 9.1676 9.1708 9.1948 9.1991 9.5228 9.5239 9.6880 9.6881 11.1876 11.1977 11.4165 11.4176 11.4401 11.4489 12.3830 12.3831 12.4048 12.4052 14.0786 14.0788 16.0886 16.0891 k = 0.0182-0.0294 0.0095 ( 2592 PWs) bands (ev): -5.8302 -5.8301 -2.9235 -2.9234 -2.9135 -2.9135 3.2813 3.2821 3.6279 3.6281 3.6675 3.6690 6.4041 6.4045 6.5018 6.5033 6.9649 6.9650 7.0058 7.0067 7.5516 7.5525 7.5938 7.5962 7.9551 7.9586 8.8475 8.8515 8.8879 8.8888 8.9076 8.9099 9.0049 9.0127 9.1345 9.1367 9.1732 9.1805 9.1998 9.2079 9.5239 9.5260 9.6893 9.6895 11.1690 11.1873 11.4201 11.4241 11.4440 11.4616 12.3632 12.3633 12.3932 12.3940 14.0985 14.0989 16.0812 16.0823 k = 0.0273-0.0441 0.0143 ( 2592 PWs) bands (ev): -5.8266 -5.8265 -2.9290 -2.9290 -2.9171 -2.9170 3.2655 3.2665 3.6262 3.6264 3.6970 3.6988 6.4048 6.4053 6.5148 6.5170 6.9654 6.9655 7.0065 7.0078 7.5469 7.5490 7.5910 7.5937 7.9555 7.9606 8.8448 8.8510 8.8843 8.8856 8.9052 8.9097 9.0007 9.0109 9.1237 9.1260 9.1766 9.1861 9.2107 9.2202 9.5262 9.5294 9.6917 9.6920 11.1446 11.1687 11.4238 11.4297 11.4560 11.4789 12.3281 12.3282 12.3781 12.3793 14.1301 14.1307 16.0695 16.0711 k = 0.0364-0.0589 0.0190 ( 2592 PWs) bands (ev): -5.8216 -5.8215 -2.9375 -2.9374 -2.9213 -2.9211 3.2475 3.2487 3.6219 3.6219 3.7363 3.7383 6.4058 6.4065 6.5327 6.5357 6.9659 6.9659 7.0081 7.0097 7.5395 7.5435 7.5883 7.5905 7.9563 7.9629 8.8410 8.8498 8.8797 8.8809 8.9019 8.9096 8.9962 9.0072 9.1140 9.1165 9.1791 9.1899 9.2250 9.2341 9.5297 9.5337 9.6950 9.6955 11.1164 11.1445 11.4276 11.4336 11.4742 11.4986 12.2803 12.2807 12.3590 12.3608 14.1710 14.1718 16.0538 16.0559 k = 0.0454-0.0736 0.0238 ( 2598 PWs) bands (ev): -5.8152 -5.8151 -2.9487 -2.9486 -2.9262 -2.9259 3.2293 3.2305 3.6157 3.6158 3.7825 3.7848 6.4071 6.4079 6.5552 6.5591 6.9658 6.9660 7.0108 7.0127 7.5291 7.5355 7.5862 7.5872 7.9575 7.9654 8.8359 8.8476 8.8744 8.8747 8.8978 8.9094 8.9916 9.0015 9.1052 9.1082 9.1818 9.1935 9.2405 9.2488 9.5343 9.5389 9.6992 9.7000 11.0857 11.1164 11.4315 11.4372 11.4945 11.5185 12.2233 12.2242 12.3357 12.3379 14.2187 14.2197 16.0349 16.0373 k = 0.0545-0.0883 0.0285 ( 2602 PWs) bands (ev): -5.8075 -5.8074 -2.9624 -2.9624 -2.9318 -2.9315 3.2120 3.2132 3.6083 3.6084 3.8339 3.8362 6.4088 6.4095 6.5817 6.5866 6.9652 6.9655 7.0151 7.0173 7.5158 7.5247 7.5842 7.5847 7.9590 7.9680 8.8291 8.8437 8.8677 8.8690 8.8933 8.9091 8.9873 8.9942 9.0973 9.1010 9.1849 9.1975 9.2568 9.2640 9.5400 9.5451 9.7045 9.7056 11.0533 11.0859 11.4358 11.4411 11.5144 11.5369 12.1602 12.1620 12.3080 12.3107 14.2705 14.2717 16.0134 16.0161 k = 0.0636-0.1030 0.0333 ( 2606 PWs) bands (ev): -5.7985 -5.7983 -2.9785 -2.9785 -2.9383 -2.9379 3.1964 3.1976 3.6000 3.6002 3.8890 3.8915 6.4107 6.4115 6.6117 6.6176 6.9638 6.9644 7.0214 7.0239 7.4998 7.5111 7.5817 7.5838 7.9607 7.9708 8.8204 8.8366 8.8612 8.8639 8.8885 8.9087 8.9835 8.9857 9.0901 9.0948 9.1887 9.2022 9.2734 9.2793 9.5467 9.5521 9.7109 9.7124 11.0196 11.0537 11.4403 11.4454 11.5316 11.5516 12.0943 12.0977 12.2762 12.2795 14.3239 14.3252 15.9902 15.9932 k = 0.0727-0.1177 0.0381 ( 2604 PWs) bands (ev): -5.7881 -5.7879 -2.9967 -2.9967 -2.9456 -2.9452 3.1831 3.1842 3.5912 3.5914 3.9471 3.9497 6.4129 6.4136 6.6445 6.6516 6.9618 6.9625 7.0299 7.0329 7.4814 7.4948 7.5799 7.5835 7.9626 7.9735 8.8098 8.8254 8.8566 8.8592 8.8834 8.9080 8.9768 8.9802 9.0836 9.0893 9.1934 9.2078 9.2902 9.2947 9.5544 9.5597 9.7186 9.7205 10.9851 11.0201 11.4452 11.4500 11.5434 11.5599 12.0296 12.0354 12.2406 12.2446 14.3765 14.3779 15.9663 15.9695 k = 0.0818-0.1324 0.0428 ( 2608 PWs) bands (ev): -5.7766 -5.7763 -3.0169 -3.0168 -2.9538 -2.9533 3.1723 3.1734 3.5820 3.5822 4.0073 4.0100 6.4154 6.4160 6.6791 6.6875 6.9592 6.9598 7.0410 7.0447 7.4609 7.4760 7.5785 7.5834 7.9645 7.9761 8.7972 8.8107 8.8535 8.8549 8.8781 8.9069 8.9679 8.9775 9.0775 9.0840 9.1989 9.2142 9.3071 9.3100 9.5629 9.5680 9.7274 9.7299 10.9498 10.9855 11.4501 11.4547 11.5463 11.5582 11.9707 11.9800 12.2017 12.2064 14.4261 14.4276 15.9428 15.9463 k = 0.0909-0.1472 0.0476 ( 2608 PWs) bands (ev): -5.7638 -5.7636 -3.0387 -3.0387 -2.9628 -2.9623 3.1643 3.1653 3.5728 3.5730 4.0689 4.0716 6.4182 6.4186 6.7146 6.7244 6.9562 6.9566 7.0550 7.0596 7.4387 7.4552 7.5777 7.5837 7.9663 7.9784 8.7827 8.7935 8.8510 8.8511 8.8727 8.9052 8.9598 8.9752 9.0720 9.0790 9.2054 9.2215 9.3240 9.3252 9.5722 9.5768 9.7376 9.7407 10.9138 10.9501 11.4547 11.4594 11.5358 11.5425 11.9233 11.9367 12.1597 12.1654 14.4705 14.4722 15.9208 15.9245 k = 0.1000-0.1619 0.0523 ( 2606 PWs) bands (ev): -5.7499 -5.7497 -3.0621 -3.0621 -2.9727 -2.9722 3.1591 3.1600 3.5638 3.5641 4.1312 4.1340 6.4213 6.4214 6.7498 6.7611 6.9529 6.9529 7.0725 7.0782 7.4151 7.4327 7.5774 7.5844 7.9679 7.9804 8.7665 8.7745 8.8474 8.8489 8.8672 8.9027 8.9529 8.9734 9.0670 9.0740 9.2130 9.2298 9.3403 9.3409 9.5822 9.5861 9.7493 9.7532 10.8772 10.9138 11.4574 11.4633 11.5087 11.5118 11.8918 11.9092 12.1152 12.1220 14.5081 14.5098 15.9014 15.9053 k = 0.1091-0.1766 0.0571 ( 2598 PWs) bands (ev): -5.7350 -5.7347 -3.0867 -3.0867 -2.9834 -2.9828 3.1567 3.1576 3.5554 3.5557 4.1935 4.1963 6.4244 6.4247 6.7837 6.7965 6.9488 6.9494 7.0940 7.1010 7.3904 7.4087 7.5776 7.5856 7.9693 7.9820 8.7489 8.7541 8.8439 8.8468 8.8618 8.8994 8.9477 8.9720 9.0626 9.0690 9.2217 9.2392 9.3553 9.3578 9.5927 9.5957 9.7626 9.7673 10.8399 10.8767 11.4448 11.4562 11.4752 11.4805 11.8768 11.8966 12.0688 12.0769 14.5373 14.5391 15.8857 15.8898 k = 0.1181-0.1913 0.0618 ( 2598 PWs) bands (ev): -5.7191 -5.7188 -3.1124 -3.1124 -2.9950 -2.9943 3.1573 3.1580 3.5477 3.5480 4.2550 4.2578 6.4277 6.4284 6.8151 6.8292 6.9445 6.9460 7.1199 7.1281 7.3649 7.3837 7.5785 7.5872 7.9702 7.9830 8.7299 8.7326 8.8405 8.8444 8.8568 8.8951 8.9442 8.9707 9.0587 9.0641 9.2314 9.2495 9.3700 9.3744 9.6037 9.6056 9.7776 9.7831 10.8017 10.8386 11.3935 11.4036 11.4736 11.4762 11.8745 11.8951 12.0212 12.0309 14.5569 14.5588 15.8744 15.8788 k = 0.1272-0.2060 0.0666 ( 2602 PWs) bands (ev): -5.7023 -5.7020 -3.1389 -3.1389 -3.0072 -3.0065 3.1607 3.1613 3.5410 3.5413 4.3150 4.3178 6.4313 6.4325 6.8433 6.8583 6.9400 6.9429 7.1501 7.1596 7.3392 7.3582 7.5801 7.5896 7.9706 7.9834 8.7097 8.7102 8.8369 8.8411 8.8526 8.8902 8.9422 8.9696 9.0556 9.0593 9.2423 9.2609 9.3844 9.3909 9.6150 9.6157 9.7944 9.8006 10.7626 10.7994 11.3293 11.3397 11.4748 11.4776 11.8799 11.9000 11.9735 11.9850 14.5663 14.5682 15.8680 15.8727 k = 0.1363-0.2207 0.0713 ( 2600 PWs) bands (ev): -5.6848 -5.6844 -3.1660 -3.1660 -3.0203 -3.0195 3.1668 3.1674 3.5355 3.5358 4.3726 4.3754 6.4352 6.4369 6.8679 6.8830 6.9356 6.9406 7.1840 7.1947 7.3136 7.3325 7.5830 7.5930 7.9705 7.9831 8.6872 8.6887 8.8331 8.8368 8.8495 8.8851 8.9416 8.9687 9.0534 9.0547 9.2546 9.2737 9.3987 9.4071 9.6261 9.6267 9.8132 9.8201 10.7224 10.7589 11.2617 11.2724 11.4740 11.4782 11.8878 11.9041 11.9310 11.9420 14.5653 14.5672 15.8665 15.8716 k = 0.1454-0.2354 0.0761 ( 2606 PWs) bands (ev): -5.6665 -5.6662 -3.1933 -3.1933 -3.0340 -3.0332 3.1757 3.1762 3.5314 3.5316 4.4270 4.4297 6.4396 6.4419 6.8887 6.9022 6.9318 6.9403 7.2203 7.2321 7.2888 7.3074 7.5875 7.5977 7.9697 7.9821 8.6637 8.6669 8.8289 8.8314 8.8473 8.8802 8.9418 8.9678 9.0503 9.0520 9.2683 9.2876 9.4128 9.4231 9.6367 9.6387 9.8339 9.8414 10.6807 10.7168 11.1941 11.2051 11.4700 11.4761 11.8733 11.8813 11.9175 11.9267 14.5542 14.5561 15.8697 15.8751 k = 0.1545-0.2502 0.0809 ( 2599 PWs) bands (ev): -5.6477 -5.6474 -3.2207 -3.2207 -3.0484 -3.0475 3.1873 3.1877 3.5288 3.5291 4.4772 4.4799 6.4445 6.4474 6.9046 6.9137 6.9302 6.9451 7.2548 7.2599 7.2757 7.2859 7.5942 7.6046 7.9685 7.9805 8.6401 8.6446 8.8243 8.8256 8.8455 8.8757 8.9428 8.9671 9.0465 9.0514 9.2839 9.3033 9.4267 9.4388 9.6477 9.6511 9.8568 9.8647 10.6376 10.6730 11.1284 11.1396 11.4614 11.4699 11.8313 11.8479 11.9243 11.9374 14.5339 14.5357 15.8769 15.8826 k = 0.1636-0.2649 0.0856 ( 2599 PWs) bands (ev): -5.6285 -5.6281 -3.2479 -3.2479 -3.0634 -3.0625 3.2014 3.2017 3.5279 3.5282 4.5224 4.5250 6.4501 6.4535 6.9116 6.9172 6.9354 6.9556 7.2401 7.2535 7.3004 7.3109 7.6038 7.6139 7.9664 7.9780 8.6164 8.6222 8.8192 8.8193 8.8439 8.8716 8.9443 8.9664 9.0431 9.0516 9.3013 9.3204 9.4404 9.4542 9.6591 9.6638 9.8816 9.8898 10.5928 10.6272 11.0660 11.0775 11.4465 11.4576 11.7932 11.8140 11.9365 11.9489 14.5054 14.5071 15.8871 15.8931 k = 0.1727-0.2796 0.0904 ( 2604 PWs) bands (ev): -5.6090 -5.6086 -3.2747 -3.2746 -3.0789 -3.0781 3.2180 3.2181 3.5289 3.5291 4.5616 4.5640 6.4564 6.4603 6.9111 6.9170 6.9466 6.9680 7.2191 7.2327 7.3333 7.3463 7.6172 7.6268 7.9636 7.9748 8.5928 8.5996 8.8128 8.8135 8.8423 8.8678 8.9461 8.9659 9.0403 9.0525 9.3206 9.3392 9.4539 9.4694 9.6711 9.6770 9.9084 9.9166 10.5463 10.5795 11.0076 11.0195 11.4241 11.4375 11.7619 11.7858 11.9489 11.9598 14.4699 14.4714 15.8994 15.9059 k = 0.1818-0.2943 0.0951 ( 2606 PWs) bands (ev): -5.5893 -5.5889 -3.3006 -3.3006 -3.0951 -3.0942 3.2369 3.2369 3.5318 3.5321 4.5939 4.5962 6.4636 6.4679 6.9089 6.9161 6.9587 6.9802 7.2001 7.2125 7.3628 7.3775 7.6352 7.6441 7.9603 7.9708 8.5696 8.5773 8.8060 8.8075 8.8406 8.8643 8.9482 8.9658 9.0383 9.0539 9.3421 9.3598 9.4673 9.4844 9.6837 9.6910 9.9370 9.9451 10.4983 10.5299 10.9538 10.9661 11.3936 11.4086 11.7386 11.7648 11.9603 11.9696 14.4286 14.4301 15.9130 15.9199 k = 0.1909-0.3090 0.0999 ( 2606 PWs) bands (ev): -5.5696 -5.5692 -3.3256 -3.3255 -3.1116 -3.1107 3.2580 3.2580 3.5368 3.5370 4.6185 4.6206 6.4716 6.4761 6.9071 6.9155 6.9701 6.9917 7.1834 7.1944 7.3868 7.4031 7.6581 7.6661 7.9563 7.9662 8.5472 8.5556 8.7989 8.8010 8.8389 8.8609 8.9505 8.9659 9.0369 9.0558 9.3656 9.3821 9.4806 9.4991 9.6974 9.7059 9.9672 9.9750 10.4490 10.4789 10.9047 10.9175 11.3554 11.3710 11.7233 11.7508 11.9703 11.9779 14.3827 14.3841 15.9272 15.9344 k = 0.1999-0.3237 0.1046 ( 2610 PWs) bands (ev): -5.5500 -5.5496 -3.3494 -3.3492 -3.1287 -3.1277 3.2811 3.2812 3.5439 3.5441 4.6348 4.6367 6.4804 6.4848 6.9065 6.9158 6.9807 7.0023 7.1692 7.1786 7.4050 7.4227 7.6851 7.6922 7.9517 7.9609 8.5257 8.5349 8.7915 8.7941 8.8371 8.8575 8.9529 8.9663 9.0363 9.0579 9.3912 9.4059 9.4937 9.5136 9.7123 9.7221 9.9988 10.0062 10.3989 10.4268 10.8603 10.8735 11.3109 11.3263 11.7148 11.7426 11.9786 11.9844 14.3334 14.3346 15.9411 15.9487 k = 0.2090-0.3385 0.1094 ( 2606 PWs) bands (ev): -5.5308 -5.5304 -3.3716 -3.3714 -3.1461 -3.1451 3.3063 3.3065 3.5533 3.5534 4.6422 4.6440 6.4897 6.4939 6.9077 6.9174 6.9904 7.0121 7.1578 7.1656 7.4179 7.4367 7.7149 7.7212 7.9467 7.9551 8.5058 8.5155 8.7838 8.7869 8.8351 8.8539 8.9554 8.9670 9.0363 9.0602 9.4185 9.4312 9.5070 9.5281 9.7291 9.7403 10.0316 10.0383 10.3485 10.3744 10.8204 10.8339 11.2614 11.2762 11.7112 11.7390 11.9850 11.9890 14.2814 14.2825 15.9544 15.9624 k = 0.2181-0.3532 0.1142 ( 2608 PWs) bands (ev): -5.5120 -5.5116 -3.3921 -3.3919 -3.1638 -3.1628 3.3333 3.3336 3.5648 3.5649 4.6406 4.6421 6.4993 6.5029 6.9108 6.9205 6.9994 7.0210 7.1489 7.1553 7.4264 7.4461 7.7456 7.7514 7.9414 7.9490 8.4877 8.4980 8.7756 8.7793 8.8331 8.8501 8.9579 8.9681 9.0369 9.0626 9.4469 9.4572 9.5205 9.5425 9.7481 9.7607 10.0650 10.0709 10.2986 10.3223 10.7844 10.7981 11.2084 11.2224 11.7112 11.7387 11.9894 11.9915 14.2278 14.2287 15.9665 15.9749 k = 0.2272-0.3679 0.1189 ( 2605 PWs) bands (ev): -5.4938 -5.4935 -3.4106 -3.4104 -3.1817 -3.1808 3.3621 3.3624 3.5786 3.5787 4.6299 4.6311 6.5087 6.5115 6.9163 6.9256 7.0076 7.0291 7.1429 7.1477 7.4315 7.4519 7.7756 7.7809 7.9358 7.9425 8.4722 8.4830 8.7669 8.7714 8.8311 8.8461 8.9604 8.9694 9.0380 9.0650 9.4755 9.4833 9.5346 9.5572 9.7701 9.7842 10.0984 10.1034 10.2500 10.2716 10.7522 10.7659 11.1529 11.1661 11.7136 11.7408 11.9915 11.9920 14.1732 14.1740 15.9770 15.9857 k = 0.2363-0.3826 0.1237 ( 2605 PWs) bands (ev): -5.4765 -5.4761 -3.4269 -3.4266 -3.1999 -3.1989 3.3924 3.3928 3.5946 3.5947 4.6102 4.6112 6.5176 6.5194 6.9241 6.9328 7.0151 7.0365 7.1396 7.1430 7.4339 7.4548 7.8031 7.8082 7.9301 7.9358 8.4596 8.4709 8.7577 8.7630 8.8292 8.8420 8.9631 8.9709 9.0394 9.0674 9.5029 9.5088 9.5497 9.5721 9.7959 9.8113 10.1297 10.1332 10.2050 10.2249 10.7232 10.7368 11.0959 11.1082 11.7176 11.7445 11.9902 11.9915 14.1183 14.1190 15.9707 15.9804 k = 0.2454-0.3973 0.1284 ( 2607 PWs) bands (ev): -5.4601 -5.4598 -3.4408 -3.4405 -3.2182 -3.2172 3.4242 3.4247 3.6129 3.6130 4.5819 4.5826 6.5254 6.5261 6.9340 6.9421 7.0219 7.0429 7.1392 7.1412 7.4342 7.4553 7.8271 7.8319 7.9244 7.9290 8.4505 8.4623 8.7480 8.7541 8.8272 8.8378 8.9658 8.9726 9.0410 9.0696 9.5273 9.5327 9.5667 9.5874 9.8262 9.8428 10.1386 10.1444 10.1842 10.1983 10.6973 10.7106 11.0379 11.0494 11.7227 11.7493 11.9863 11.9893 14.0638 14.0644 15.9121 15.9215 k = 0.2545-0.4120 0.1332 ( 2605 PWs) bands (ev): -5.4448 -5.4445 -3.4522 -3.4518 -3.2366 -3.2356 3.4573 3.4579 3.6335 3.6335 4.5457 4.5461 6.5317 6.5319 6.9453 6.9531 7.0281 7.0485 7.1419 7.1422 7.4327 7.4539 7.8466 7.8513 7.9190 7.9225 8.4454 8.4576 8.7377 8.7447 8.8254 8.8337 8.9686 8.9744 9.0427 9.0718 9.5477 9.5545 9.5860 9.6031 9.8613 9.8787 10.1038 10.1129 10.2087 10.2162 10.6740 10.6869 10.9795 10.9903 11.7284 11.7549 11.9803 11.9848 14.0104 14.0108 15.8604 15.8695 k = 0.2636-0.4267 0.1379 ( 2608 PWs) bands (ev): -5.4307 -5.4304 -3.4608 -3.4604 -3.2551 -3.2541 3.4915 3.4921 3.6563 3.6563 4.5021 4.5023 6.5358 6.5370 6.9572 6.9652 7.0337 7.0532 7.1463 7.1477 7.4294 7.4506 7.8610 7.8657 7.9141 7.9162 8.4445 8.4571 8.7268 8.7347 8.8236 8.8297 8.9714 8.9764 9.0441 9.0738 9.5645 9.5738 9.6063 9.6190 9.9004 9.9181 10.0655 10.0731 10.2397 10.2451 10.6533 10.6655 10.9210 10.9311 11.7346 11.7610 11.9721 11.9781 13.9586 13.9589 15.8164 15.8252 k = 0.2727-0.4415 0.1427 ( 2608 PWs) bands (ev): -5.4180 -5.4178 -3.4667 -3.4662 -3.2734 -3.2724 3.5267 3.5274 3.6812 3.6812 4.4520 4.4520 6.5386 6.5404 6.9689 6.9779 7.0387 7.0569 7.1535 7.1570 7.4245 7.4455 7.8703 7.8751 7.9099 7.9106 8.4478 8.4606 8.7154 8.7242 8.8220 8.8260 8.9743 8.9784 9.0453 9.0756 9.5791 9.5910 9.6260 9.6346 9.9387 9.9547 10.0362 10.0400 10.2702 10.2744 10.6348 10.6463 10.8628 10.8722 11.7411 11.7676 11.9621 11.9694 13.9092 13.9093 15.7806 15.7890 k = 0.2817-0.4562 0.1475 ( 2609 PWs) bands (ev): -5.4067 -5.4065 -3.4696 -3.4691 -3.2917 -3.2907 3.5626 3.5633 3.7082 3.7083 4.3960 4.3963 6.5402 6.5424 6.9793 6.9901 7.0430 7.0595 7.1639 7.1698 7.4178 7.4384 7.8749 7.8799 7.9058 7.9064 8.4550 8.4677 8.7034 8.7132 8.8204 8.8226 8.9772 8.9804 9.0463 9.0772 9.5926 9.6065 9.6440 9.6496 9.9524 9.9596 10.0382 10.0451 10.2991 10.3024 10.6184 10.6290 10.8051 10.8139 11.7479 11.7745 11.9501 11.9585 13.8627 13.8628 15.7532 15.7613 k = 0.2908-0.4709 0.1522 ( 2607 PWs) bands (ev): -5.3969 -5.3967 -3.4697 -3.4691 -3.3099 -3.3089 3.5990 3.5998 3.7373 3.7374 4.3353 4.3358 6.5407 6.5431 6.9881 7.0014 7.0465 7.0610 7.1776 7.1860 7.4093 7.4292 7.8761 7.8807 7.9020 7.9033 8.4654 8.4778 8.6911 8.7018 8.8191 8.8197 8.9801 8.9824 9.0469 9.0786 9.6054 9.6208 9.6602 9.6635 9.9297 9.9339 10.0793 10.0907 10.3257 10.3283 10.6039 10.6136 10.7481 10.7564 11.7548 11.7817 11.9365 11.9458 13.8199 13.8200 15.7345 15.7422 k = 0.2999-0.4856 0.1570 ( 2607 PWs) bands (ev): -5.3887 -5.3885 -3.4668 -3.4662 -3.3278 -3.3268 3.6357 3.6365 3.7683 3.7684 4.2708 4.2714 6.5404 6.5427 6.9948 7.0111 7.0491 7.0613 7.1942 7.2052 7.3987 7.4178 7.8752 7.8790 7.8988 7.9003 8.4781 8.4897 8.6785 8.6903 8.8172 8.8178 8.9829 8.9843 9.0471 9.0797 9.6178 9.6343 9.6743 9.6762 9.8988 9.9040 10.1343 10.1457 10.3497 10.3516 10.5911 10.5998 10.6924 10.7003 11.7619 11.7893 11.9214 11.9313 13.7816 13.7818 15.7246 15.7319 k = 0.3090-0.5003 0.1617 ( 2615 PWs) bands (ev): -5.3819 -5.3818 -3.4611 -3.4604 -3.3454 -3.3445 3.6721 3.6730 3.8011 3.8013 4.2034 4.2042 6.5392 6.5413 6.9997 7.0191 7.0507 7.0604 7.2129 7.2267 7.3861 7.4039 7.8734 7.8762 7.8959 7.8972 8.4921 8.5026 8.6659 8.6789 8.8153 8.8167 8.9854 8.9861 9.0468 9.0805 9.6299 9.6472 9.6858 9.6873 9.8691 9.8756 10.1931 10.2036 10.3706 10.3719 10.5789 10.5869 10.6387 10.6463 11.7690 11.7972 11.9051 11.9152 13.7487 13.7489 15.7236 15.7305 k = 0.3181-0.5150 0.1665 ( 2616 PWs) bands (ev): -5.3767 -5.3766 -3.4526 -3.4518 -3.3627 -3.3618 3.7079 3.7087 3.8357 3.8360 4.1344 4.1353 6.5375 6.5392 7.0029 7.0256 7.0513 7.0584 7.2332 7.2497 7.3716 7.3875 7.8715 7.8733 7.8934 7.8944 8.5066 8.5152 8.6539 8.6684 8.8140 8.8158 8.9877 8.9877 9.0462 9.0809 9.6417 9.6596 9.6942 9.6964 9.8432 9.8504 10.2529 10.2621 10.3882 10.3889 10.5627 10.5688 10.5936 10.5998 11.7758 11.8054 11.8881 11.8977 13.7219 13.7222 15.7312 15.7378 k = 0.3272-0.5298 0.1712 ( 2614 PWs) bands (ev): -5.3729 -5.3729 -3.4415 -3.4406 -3.3796 -3.3787 3.7416 3.7423 3.8719 3.8722 4.0656 4.0666 6.5353 6.5365 7.0046 7.0303 7.0509 7.0552 7.2537 7.2734 7.3556 7.3688 7.8699 7.8709 7.8916 7.8921 8.5200 8.5260 8.6432 8.6597 8.8133 8.8150 8.9890 8.9894 9.0455 9.0811 9.6531 9.6715 9.6980 9.7024 9.8236 9.8300 10.3112 10.3190 10.4025 10.4026 10.5264 10.5264 10.5765 10.5770 11.7818 11.8139 11.8713 11.8792 13.7021 13.7024 15.7474 15.7535 k = 0.3363-0.5445 0.1760 ( 2610 PWs) bands (ev): -5.3705 -5.3705 -3.4279 -3.4270 -3.3961 -3.3952 3.7703 3.7709 3.9093 3.9097 4.0008 4.0017 6.5328 6.5334 7.0046 7.0333 7.0496 7.0512 7.2721 7.2970 7.3401 7.3482 7.8689 7.8693 7.8906 7.8909 8.5305 8.5333 8.6355 8.6540 8.8133 8.8144 8.9899 8.9904 9.0449 9.0810 9.6635 9.6828 9.6960 9.7040 9.8123 9.8160 10.3649 10.3717 10.4126 10.4135 10.4794 10.4799 10.5695 10.5697 11.7854 11.8219 11.8564 11.8604 13.6902 13.6904 15.7717 15.7773 k = 0.3454-0.5592 0.1807 ( 2611 PWs) bands (ev): -5.3694 -5.3694 -3.4135 -3.4117 -3.4107 -3.4107 3.7850 3.7850 3.9421 3.9430 3.9554 3.9554 6.5299 6.5299 7.0031 7.0331 7.0476 7.0477 7.2811 7.3138 7.3320 7.3320 7.8687 7.8687 7.8907 7.8908 8.5356 8.5356 8.6327 8.6524 8.8140 8.8140 8.9904 8.9904 9.0445 9.0807 9.6696 9.6911 9.6911 9.7022 9.8098 9.8098 10.3980 10.4055 10.4182 10.4182 10.4494 10.4494 10.5673 10.5673 11.7836 11.8244 11.8467 11.8467 13.6869 13.6869 15.8029 15.8047 k = 0.3454-0.5592 0.1807 ( 2611 PWs) bands (ev): -5.3694 -5.3694 -3.4135 -3.4117 -3.4107 -3.4107 3.7850 3.7850 3.9421 3.9430 3.9554 3.9554 6.5299 6.5299 7.0031 7.0331 7.0476 7.0477 7.2811 7.3138 7.3320 7.3320 7.8687 7.8687 7.8907 7.8908 8.5356 8.5356 8.6327 8.6524 8.8140 8.8140 8.9904 8.9904 9.0445 9.0807 9.6696 9.6911 9.6911 9.7022 9.8098 9.8098 10.3980 10.4055 10.4182 10.4182 10.4494 10.4494 10.5673 10.5673 11.7836 11.8244 11.8467 11.8467 13.6869 13.6869 15.8029 15.8047 k = 0.3487-0.5539 0.1972 ( 2611 PWs) bands (ev): -5.3630 -5.3630 -3.4071 -3.4050 -3.4041 -3.4041 3.7967 3.7967 3.9468 3.9480 3.9602 3.9602 6.4915 6.4915 6.9757 7.0065 7.0204 7.0204 7.2803 7.3124 7.3299 7.3299 7.8663 7.8663 7.8996 7.8996 8.5441 8.5441 8.6357 8.6601 8.8188 8.8188 8.9874 8.9874 9.0433 9.0761 9.6760 9.6958 9.6958 9.7056 9.8038 9.8038 10.4165 10.4201 10.4295 10.4295 10.4640 10.4640 10.5659 10.5659 11.7202 11.7628 11.7843 11.7843 13.7011 13.7011 15.8583 15.8584 k = 0.3519-0.5485 0.2137 ( 2623 PWs) bands (ev): -5.3552 -5.3552 -3.3990 -3.3968 -3.3960 -3.3959 3.8098 3.8098 3.9528 3.9543 3.9664 3.9664 6.4446 6.4446 6.9450 6.9764 6.9896 6.9896 7.2777 7.3093 7.3260 7.3260 7.8572 7.8573 7.9127 7.9127 8.5547 8.5547 8.6402 8.6691 8.8263 8.8263 8.9838 8.9838 9.0413 9.0709 9.6834 9.7015 9.7015 9.7101 9.7958 9.7958 10.4364 10.4367 10.4443 10.4443 10.4791 10.4792 10.5607 10.5607 11.6517 11.6958 11.7166 11.7166 13.7215 13.7215 15.9172 15.9172 k = 0.3552-0.5432 0.2302 ( 2623 PWs) bands (ev): -5.3458 -5.3458 -3.3894 -3.3869 -3.3862 -3.3862 3.8243 3.8243 3.9602 3.9620 3.9739 3.9739 6.3900 6.3900 6.9110 6.9428 6.9553 6.9553 7.2737 7.3047 7.3206 7.3206 7.8429 7.8429 7.9289 7.9289 8.5671 8.5671 8.6462 8.6795 8.8364 8.8364 8.9797 8.9797 9.0385 9.0652 9.6917 9.7080 9.7080 9.7155 9.7858 9.7858 10.4542 10.4583 10.4624 10.4624 10.4933 10.4933 10.5538 10.5538 11.5792 11.6245 11.6449 11.6449 13.7472 13.7472 15.9797 15.9797 k = 0.3585-0.5379 0.2467 ( 2623 PWs) bands (ev): -5.3350 -5.3350 -3.3783 -3.3756 -3.3750 -3.3750 3.8402 3.8402 3.9689 3.9709 3.9828 3.9828 6.3283 6.3283 6.8736 6.9055 6.9172 6.9172 7.2686 7.2989 7.3142 7.3142 7.8243 7.8243 7.9475 7.9475 8.5811 8.5811 8.6536 8.6911 8.8485 8.8485 8.9754 8.9754 9.0351 9.0592 9.7009 9.7153 9.7153 9.7219 9.7741 9.7741 10.4733 10.4811 10.4823 10.4823 10.5024 10.5025 10.5506 10.5507 11.5039 11.5502 11.5704 11.5704 13.7774 13.7774 16.0450 16.0450 k = 0.3618-0.5326 0.2632 ( 2617 PWs) bands (ev): -5.3227 -5.3227 -3.3656 -3.3627 -3.3622 -3.3622 3.8574 3.8574 3.9789 3.9812 3.9929 3.9929 6.2603 6.2603 6.8327 6.8645 6.8754 6.8754 7.2627 7.2923 7.3071 7.3071 7.8022 7.8022 7.9679 7.9679 8.5962 8.5962 8.6621 8.7036 8.8624 8.8624 8.9710 8.9710 9.0312 9.0529 9.7109 9.7231 9.7231 9.7292 9.7608 9.7608 10.4885 10.4885 10.4934 10.5049 10.5148 10.5149 10.5588 10.5588 11.4271 11.4741 11.4943 11.4943 13.8111 13.8111 16.1118 16.1118 k = 0.3651-0.5272 0.2796 ( 2617 PWs) bands (ev): -5.3089 -5.3089 -3.3515 -3.3483 -3.3480 -3.3480 3.8760 3.8760 3.9901 3.9927 4.0043 4.0043 6.1861 6.1861 6.7881 6.8196 6.8296 6.8296 7.2564 7.2851 7.2995 7.2995 7.7771 7.7771 7.9899 7.9899 8.6122 8.6122 8.6716 8.7171 8.8772 8.8773 8.9666 8.9667 9.0268 9.0465 9.7215 9.7304 9.7304 9.7372 9.7470 9.7470 10.4728 10.4728 10.5139 10.5291 10.5416 10.5417 10.5753 10.5753 11.3499 11.3972 11.4176 11.4176 13.8473 13.8473 16.1793 16.1793 k = 0.3684-0.5219 0.2961 ( 2614 PWs) bands (ev): -5.2937 -5.2937 -3.3359 -3.3325 -3.3323 -3.3323 3.8958 3.8958 4.0024 4.0053 4.0168 4.0168 6.1067 6.1067 6.7398 6.7708 6.7799 6.7799 7.2497 7.2776 7.2917 7.2917 7.7496 7.7496 8.0132 8.0132 8.6289 8.6289 8.6820 8.7313 8.8926 8.8926 8.9627 8.9627 9.0221 9.0401 9.7258 9.7258 9.7328 9.7440 9.7440 9.7461 10.4503 10.4503 10.5342 10.5533 10.5725 10.5726 10.5955 10.5955 11.2737 11.3208 11.3415 11.3415 13.8851 13.8851 16.2467 16.2467 k = 0.3717-0.5166 0.3126 ( 2611 PWs) bands (ev): -5.2771 -5.2771 -3.3188 -3.3153 -3.3152 -3.3152 3.9170 3.9170 4.0159 4.0191 4.0304 4.0304 6.0224 6.0224 6.6880 6.7181 6.7264 6.7265 7.2431 7.2699 7.2840 7.2840 7.7201 7.7201 8.0376 8.0376 8.6458 8.6458 8.6932 8.7461 8.9078 8.9078 8.9598 8.9598 9.0173 9.0337 9.7088 9.7088 9.7447 9.7524 9.7524 9.7556 10.4244 10.4244 10.5535 10.5768 10.6033 10.6034 10.6199 10.6199 11.2000 11.2461 11.2674 11.2674 13.9237 13.9237 16.3132 16.3132 k = 0.3750-0.5112 0.3291 ( 2611 PWs) bands (ev): -5.2592 -5.2592 -3.3004 -3.2967 -3.2967 -3.2966 3.9393 3.9394 4.0304 4.0339 4.0451 4.0451 5.9338 5.9338 6.6325 6.6617 6.6693 6.6693 7.2365 7.2623 7.2765 7.2765 7.6892 7.6892 8.0630 8.0630 8.6628 8.6628 8.7049 8.7613 8.9214 8.9215 8.9590 8.9591 9.0123 9.0276 9.6894 9.6894 9.7571 9.7621 9.7621 9.7656 10.3965 10.3965 10.5704 10.5984 10.6266 10.6266 10.6540 10.6540 11.1305 11.1748 11.1968 11.1968 13.9624 13.9624 16.3783 16.3783 k = 0.3783-0.5059 0.3456 ( 2605 PWs) bands (ev): -5.2400 -5.2400 -3.2806 -3.2768 -3.2768 -3.2767 3.9629 3.9629 4.0460 4.0496 4.0608 4.0608 5.8414 5.8414 6.5737 6.6019 6.6087 6.6087 7.2302 7.2549 7.2693 7.2693 7.6571 7.6571 8.0892 8.0892 8.6797 8.6797 8.7171 8.7769 8.9309 8.9309 8.9632 8.9633 9.0074 9.0218 9.6685 9.6685 9.7700 9.7722 9.7722 9.7763 10.3672 10.3672 10.5830 10.6167 10.6433 10.6433 10.6949 10.6949 11.0676 11.1089 11.1316 11.1316 14.0005 14.0005 16.4416 16.4416 k = 0.3816-0.5006 0.3620 ( 2602 PWs) bands (ev): -5.2195 -5.2195 -3.2595 -3.2556 -3.2556 -3.2554 3.9876 3.9876 4.0623 4.0663 4.0773 4.0773 5.7457 5.7457 6.5116 6.5387 6.5447 6.5447 7.2242 7.2478 7.2624 7.2624 7.6242 7.6242 8.1161 8.1161 8.6962 8.6962 8.7295 8.7927 8.9347 8.9348 8.9734 8.9735 9.0026 9.0163 9.6463 9.6463 9.7825 9.7825 9.7832 9.7874 10.3371 10.3371 10.5883 10.6289 10.6538 10.6538 10.7395 10.7395 11.0146 11.0512 11.0746 11.0746 14.0377 14.0377 16.5027 16.5027 k = 0.3848-0.4953 0.3785 ( 2599 PWs) bands (ev): -5.1978 -5.1978 -3.2372 -3.2332 -3.2332 -3.2329 4.0134 4.0134 4.0795 4.0837 4.0947 4.0947 5.6473 5.6473 6.4465 6.4724 6.4778 6.4778 7.2185 7.2411 7.2560 7.2560 7.5907 7.5907 8.1436 8.1437 8.7121 8.7121 8.7422 8.8086 8.9358 8.9358 8.9870 8.9871 8.9979 9.0113 9.6231 9.6231 9.7928 9.7928 9.7968 9.7989 10.3066 10.3066 10.5830 10.6317 10.6554 10.6554 10.7869 10.7869 10.9750 11.0056 11.0294 11.0294 14.0736 14.0736 16.5613 16.5613 k = 0.3881-0.4899 0.3950 ( 2599 PWs) bands (ev): -5.1750 -5.1750 -3.2136 -3.2096 -3.2096 -3.2092 4.0401 4.0401 4.0974 4.1018 4.1127 4.1127 5.5466 5.5466 6.3785 6.4033 6.4081 6.4081 7.2133 7.2347 7.2500 7.2500 7.5568 7.5568 8.1716 8.1716 8.7271 8.7271 8.7548 8.8244 8.9365 8.9365 8.9935 9.0017 9.0017 9.0068 9.5988 9.5988 9.8031 9.8031 9.8106 9.8108 10.2761 10.2761 10.5646 10.6214 10.6451 10.6451 10.8366 10.8366 10.9514 10.9757 10.9997 10.9997 14.1079 14.1079 16.6173 16.6176 k = 0.3914-0.4846 0.4115 ( 2593 PWs) bands (ev): -5.1510 -5.1510 -3.1889 -3.1848 -3.1848 -3.1843 4.0677 4.0677 4.1159 4.1206 4.1314 4.1314 5.4441 5.4441 6.3082 6.3317 6.3360 6.3360 7.2084 7.2288 7.2444 7.2444 7.5228 7.5228 8.1999 8.2000 8.7411 8.7411 8.7674 8.8402 8.9380 8.9380 8.9897 9.0031 9.0164 9.0164 9.5736 9.5736 9.8132 9.8132 9.8229 9.8247 10.2457 10.2457 10.5337 10.5969 10.6216 10.6216 10.8874 10.8875 10.9436 10.9629 10.9877 10.9877 14.1406 14.1406 16.6703 16.6703 k = 0.3947-0.4793 0.4280 ( 2599 PWs) bands (ev): -5.1260 -5.1260 -3.1631 -3.1590 -3.1590 -3.1584 4.0959 4.0959 4.1349 4.1398 4.1505 4.1505 5.3403 5.3403 6.2355 6.2579 6.2617 6.2617 7.2039 7.2233 7.2393 7.2393 7.4889 7.4889 8.2285 8.2285 8.7537 8.7537 8.7798 8.8556 8.9407 8.9407 8.9862 9.0000 9.0306 9.0306 9.5478 9.5478 9.8230 9.8230 9.8352 9.8390 10.2157 10.2157 10.4934 10.5606 10.5872 10.5872 10.9357 10.9358 10.9483 10.9646 10.9946 10.9946 14.1714 14.1714 16.7193 16.7194 k = 0.3980-0.4740 0.4444 ( 2593 PWs) bands (ev): -5.1001 -5.1001 -3.1362 -3.1321 -3.1321 -3.1314 4.1247 4.1247 4.1542 4.1593 4.1700 4.1700 5.2359 5.2359 6.1611 6.1823 6.1856 6.1856 7.1999 7.2182 7.2347 7.2347 7.4551 7.4551 8.2574 8.2574 8.7649 8.7649 8.7918 8.8707 8.9450 8.9450 8.9835 8.9977 9.0442 9.0443 9.5214 9.5214 9.8323 9.8324 9.8475 9.8533 10.1862 10.1862 10.4477 10.5172 10.5461 10.5461 10.9618 10.9718 10.9719 10.9766 11.0262 11.0262 14.2005 14.2005 16.7603 16.7604 k = 0.4013-0.4686 0.4609 ( 2593 PWs) bands (ev): -5.0732 -5.0732 -3.1084 -3.1043 -3.1043 -3.1035 4.1537 4.1537 4.1738 4.1791 4.1897 4.1897 5.1313 5.1313 6.0851 6.1052 6.1081 6.1081 7.1962 7.2136 7.2304 7.2304 7.4217 7.4217 8.2863 8.2863 8.7745 8.7745 8.8034 8.8851 8.9511 8.9511 8.9818 8.9964 9.0572 9.0573 9.4946 9.4946 9.8410 9.8411 9.8598 9.8676 10.1574 10.1574 10.3998 10.4704 10.5018 10.5018 10.9808 10.9949 10.9962 10.9962 11.0776 11.0777 14.2277 14.2277 16.7553 16.7566 k = 0.4046-0.4633 0.4774 ( 2599 PWs) bands (ev): -5.0455 -5.0455 -3.0798 -3.0756 -3.0756 -3.0747 4.1823 4.1823 4.1934 4.1989 4.2095 4.2095 5.0273 5.0273 6.0079 6.0269 6.0295 6.0295 7.1930 7.2095 7.2266 7.2266 7.3887 7.3887 8.3151 8.3151 8.7826 8.7826 8.8144 8.8985 8.9589 8.9589 8.9811 8.9961 9.0694 9.0694 9.4675 9.4675 9.8488 9.8488 9.8717 9.8818 10.1294 10.1295 10.3521 10.4229 10.4572 10.4572 11.0029 11.0167 11.0188 11.0188 11.1364 11.1364 14.2531 14.2531 16.6415 16.6418 k = 0.4079-0.4580 0.4939 ( 2605 PWs) bands (ev): -5.0170 -5.0170 -3.0503 -3.0461 -3.0461 -3.0451 4.2100 4.2100 4.2128 4.2185 4.2293 4.2293 4.9250 4.9250 5.9300 5.9480 5.9503 5.9503 7.1901 7.2058 7.2231 7.2231 7.3563 7.3563 8.3436 8.3436 8.7893 8.7893 8.8248 8.9107 8.9682 8.9682 8.9821 8.9969 9.0806 9.0807 9.4405 9.4405 9.8553 9.8553 9.8829 9.8956 10.1025 10.1025 10.3061 10.3766 10.4139 10.4139 11.0269 11.0403 11.0419 11.0419 11.1982 11.1983 14.2768 14.2768 16.5026 16.5028 k = 0.4112-0.4526 0.5104 ( 2587 PWs) bands (ev): -4.9879 -4.9879 -3.0201 -3.0160 -3.0160 -3.0148 4.2320 4.2353 4.2353 4.2379 4.2489 4.2489 4.8259 4.8259 5.8518 5.8688 5.8709 5.8709 7.1878 7.2027 7.2200 7.2200 7.3248 7.3248 8.3720 8.3720 8.7949 8.7949 8.8345 8.9211 8.9790 8.9790 8.9852 8.9990 9.0911 9.0911 9.4139 9.4139 9.8603 9.8603 9.8933 9.9089 10.0767 10.0768 10.2634 10.3327 10.3734 10.3734 11.0516 11.0646 11.0652 11.0653 11.2620 11.2620 14.2986 14.2986 16.3618 16.3622 k = 0.4145-0.4473 0.5269 ( 2587 PWs) bands (ev): -4.9582 -4.9582 -2.9893 -2.9852 -2.9852 -2.9840 4.2506 4.2559 4.2559 4.2567 4.2680 4.2680 4.7328 4.7328 5.7737 5.7898 5.7917 5.7917 7.1858 7.1999 7.2169 7.2169 7.2942 7.2942 8.3997 8.3997 8.7996 8.7996 8.8434 8.9294 8.9905 8.9908 8.9908 9.0022 9.1005 9.1005 9.3879 9.3879 9.8631 9.8632 9.9017 9.9211 10.0523 10.0523 10.2247 10.2920 10.3362 10.3362 11.0762 11.0883 11.0883 11.0888 11.3272 11.3272 14.3188 14.3188 16.2225 16.2226 k = 0.4177-0.4420 0.5433 ( 2587 PWs) bands (ev): -4.9280 -4.9280 -2.9579 -2.9539 -2.9538 -2.9526 4.2676 4.2676 4.2684 4.2746 4.2857 4.2857 4.6506 4.6506 5.6962 5.7114 5.7132 5.7132 7.1842 7.1974 7.2134 7.2134 7.2652 7.2652 8.4266 8.4266 8.8036 8.8037 8.8516 8.9356 8.9983 9.0033 9.0033 9.0065 9.1088 9.1088 9.3628 9.3628 9.8633 9.8633 9.9075 9.9318 10.0293 10.0294 10.1914 10.2556 10.3034 10.3034 11.1003 11.1106 11.1106 11.1121 11.3933 11.3934 14.3373 14.3373 16.0860 16.0860 k = 0.4210-0.4367 0.5598 ( 2587 PWs) bands (ev): -4.8975 -4.8975 -2.9262 -2.9221 -2.9221 -2.9208 4.2611 4.2611 4.2851 4.2915 4.3021 4.3021 4.5885 4.5885 5.6199 5.6342 5.6359 5.6359 7.1829 7.1954 7.2076 7.2076 7.2397 7.2397 8.4524 8.4525 8.8073 8.8073 8.8590 8.9402 9.0078 9.0120 9.0162 9.0162 9.1159 9.1159 9.3392 9.3392 9.8603 9.8604 9.9094 9.9400 10.0078 10.0079 10.1649 10.2243 10.2754 10.2754 11.1232 11.1317 11.1317 11.1342 11.4603 11.4603 14.3542 14.3542 15.9530 15.9530 k = 0.4243-0.4313 0.5763 ( 2587 PWs) bands (ev): -4.8667 -4.8667 -2.8941 -2.8901 -2.8901 -2.8887 4.2268 4.2268 4.3005 4.3070 4.3172 4.3172 4.5559 4.5559 5.5452 5.5586 5.5603 5.5603 7.1819 7.1931 7.1932 7.1937 7.2240 7.2241 8.4769 8.4770 8.8107 8.8108 8.8659 8.9439 9.0184 9.0185 9.0292 9.0292 9.1217 9.1218 9.3176 9.3176 9.8539 9.8540 9.9063 9.9447 9.9878 9.9879 10.1465 10.1995 10.2529 10.2529 11.1447 11.1512 11.1512 11.1546 11.5277 11.5277 14.3696 14.3696 15.8240 15.8240 k = 0.4276-0.4260 0.5928 ( 2599 PWs) bands (ev): -4.8357 -4.8357 -2.8619 -2.8579 -2.8579 -2.8565 4.1660 4.1660 4.3140 4.3207 4.3307 4.3307 4.5519 4.5519 5.4727 5.4853 5.4869 5.4869 7.1699 7.1699 7.1813 7.1924 7.2184 7.2185 8.4997 8.4998 8.8140 8.8140 8.8723 8.9472 9.0256 9.0296 9.0420 9.0420 9.1262 9.1262 9.2985 9.2985 9.8441 9.8441 9.8975 9.9448 9.9689 9.9690 10.1367 10.1822 10.2361 10.2361 11.1641 11.1687 11.1687 11.1729 11.5954 11.5954 14.3834 14.3834 15.6994 15.6994 k = 0.4309-0.4207 0.6093 ( 2599 PWs) bands (ev): -4.8047 -4.8047 -2.8295 -2.8257 -2.8257 -2.8242 4.0892 4.0892 4.3253 4.3322 4.3420 4.3420 4.5660 4.5660 5.4031 5.4149 5.4166 5.4166 7.1446 7.1447 7.1810 7.1914 7.2163 7.2163 8.5206 8.5206 8.8173 8.8173 8.8785 8.9505 9.0335 9.0411 9.0544 9.0544 9.1294 9.1294 9.2826 9.2826 9.8312 9.8312 9.8838 9.9396 9.9508 9.9508 10.1351 10.1732 10.2253 10.2253 11.1814 11.1840 11.1840 11.1889 11.6631 11.6631 14.3956 14.3956 15.5798 15.5798 k = 0.4342-0.4154 0.6257 ( 2617 PWs) bands (ev): -4.7738 -4.7738 -2.7973 -2.7935 -2.7935 -2.7919 4.0053 4.0053 4.3340 4.3409 4.3506 4.3506 4.5896 4.5896 5.3370 5.3480 5.3499 5.3499 7.1195 7.1195 7.1809 7.1907 7.2152 7.2152 8.5389 8.5389 8.8205 8.8205 8.8844 8.9540 9.0418 9.0523 9.0657 9.0658 9.1317 9.1317 9.2701 9.2701 9.8157 9.8158 9.8664 9.9292 9.9329 9.9330 10.1400 10.1721 10.2199 10.2199 11.1961 11.1967 11.1967 11.2021 11.7305 11.7305 14.4065 14.4065 15.4655 15.4655 k = 0.4375-0.4100 0.6422 ( 2611 PWs) bands (ev): -4.7431 -4.7431 -2.7652 -2.7615 -2.7615 -2.7599 3.9190 3.9190 4.3395 4.3466 4.3560 4.3560 4.6183 4.6183 5.2753 5.2855 5.2876 5.2876 7.0952 7.0952 7.1812 7.1904 7.2148 7.2148 8.5545 8.5546 8.8238 8.8239 8.8906 8.9581 9.0506 9.0634 9.0760 9.0760 9.1340 9.1340 9.2614 9.2614 9.7986 9.7987 9.8470 9.9150 9.9153 9.9154 10.1503 10.1780 10.2198 10.2198 11.2066 11.2066 11.2081 11.2123 11.7975 11.7975 14.4159 14.4159 15.3569 15.3569 k = 0.4408-0.4047 0.6587 ( 2611 PWs) bands (ev): -4.7128 -4.7128 -2.7334 -2.7298 -2.7298 -2.7282 3.8328 3.8328 4.3413 4.3485 4.3577 4.3577 4.6495 4.6495 5.2186 5.2280 5.2304 5.2304 7.0717 7.0717 7.1817 7.1903 7.2148 7.2148 8.5668 8.5669 8.8272 8.8273 8.8968 8.9626 9.0596 9.0741 9.0844 9.0845 9.1373 9.1374 9.2560 9.2560 9.7802 9.7803 9.8268 9.8980 9.8980 9.8983 10.1643 10.1891 10.2241 10.2242 11.2134 11.2134 11.2168 11.2193 11.8637 11.8637 14.4241 14.4241 15.2541 15.2541 k = 0.4441-0.3994 0.6752 ( 2638 PWs) bands (ev): -4.6830 -4.6830 -2.7021 -2.6986 -2.6986 -2.6970 3.7480 3.7480 4.3389 4.3462 4.3552 4.3552 4.6819 4.6819 5.1675 5.1761 5.1788 5.1788 7.0491 7.0491 7.1822 7.1902 7.2149 7.2149 8.5754 8.5755 8.8306 8.8306 8.9032 8.9674 9.0684 9.0842 9.0911 9.0912 9.1425 9.1425 9.2533 9.2533 9.7609 9.7610 9.8065 9.8802 9.8808 9.8808 10.1812 10.2041 10.2322 10.2322 11.2168 11.2168 11.2222 11.2228 11.9287 11.9288 14.4309 14.4309 15.1576 15.1576 k = 0.4474-0.3940 0.6917 ( 2638 PWs) bands (ev): -4.6538 -4.6538 -2.6714 -2.6681 -2.6681 -2.6665 3.6656 3.6656 4.3321 4.3394 4.3481 4.3481 4.7149 4.7149 5.1227 5.1305 5.1337 5.1337 7.0278 7.0278 7.1831 7.1906 7.2155 7.2155 8.5802 8.5802 8.8341 8.8342 8.9101 8.9729 9.0773 9.0938 9.0971 9.0972 9.1497 9.1498 9.2528 9.2529 9.7413 9.7413 9.7870 9.8617 9.8643 9.8644 10.2004 10.2223 10.2436 10.2437 11.2168 11.2168 11.2228 11.2241 11.9926 11.9926 14.4365 14.4365 15.0676 15.0676 k = 0.4506-0.3887 0.7081 ( 2635 PWs) bands (ev): -4.6254 -4.6254 -2.6415 -2.6383 -2.6383 -2.6367 3.5862 3.5862 4.3207 4.3279 4.3364 4.3364 4.7479 4.7479 5.0844 5.0916 5.0952 5.0952 7.0077 7.0077 7.1842 7.1911 7.2162 7.2162 8.5810 8.5810 8.8380 8.8381 8.9174 8.9789 9.0859 9.1028 9.1033 9.1035 9.1583 9.1584 9.2540 9.2540 9.7214 9.7215 9.7685 9.8435 9.8487 9.8487 10.2216 10.2430 10.2579 10.2579 11.2132 11.2132 11.2190 11.2223 12.0548 12.0548 14.4410 14.4410 14.9841 14.9841 k = 0.4539-0.3834 0.7246 ( 2635 PWs) bands (ev): -4.5979 -4.5979 -2.6125 -2.6095 -2.6095 -2.6079 3.5103 3.5103 4.3047 4.3119 4.3201 4.3201 4.7805 4.7805 5.0528 5.0592 5.0633 5.0633 6.9887 6.9887 7.1854 7.1917 7.2171 7.2172 8.5778 8.5779 8.8423 8.8423 8.9252 8.9853 9.0943 9.1106 9.1107 9.1110 9.1678 9.1679 9.2563 9.2563 9.7014 9.7014 9.7512 9.8257 9.8338 9.8338 10.2445 10.2656 10.2746 10.2746 11.2060 11.2060 11.2115 11.2168 12.1152 12.1152 14.4444 14.4444 14.9073 14.9073 k = 0.4572-0.3781 0.7411 ( 2635 PWs) bands (ev): -4.5715 -4.5715 -2.5846 -2.5817 -2.5817 -2.5802 3.4381 3.4381 4.2848 4.2918 4.2997 4.2997 4.8123 4.8123 5.0275 5.0333 5.0379 5.0379 6.9710 6.9710 7.1868 7.1925 7.2182 7.2182 8.5712 8.5713 8.8470 8.8471 8.9334 8.9921 9.1022 9.1185 9.1192 9.1194 9.1777 9.1778 9.2595 9.2595 9.6813 9.6813 9.7352 9.8086 9.8200 9.8200 10.2689 10.2900 10.2935 10.2935 11.1951 11.1951 11.2002 11.2076 12.1733 12.1733 14.4468 14.4468 14.8373 14.8373 k = 0.4605-0.3727 0.7576 ( 2641 PWs) bands (ev): -4.5462 -4.5462 -2.5579 -2.5552 -2.5552 -2.5538 3.3700 3.3700 4.2615 4.2683 4.2759 4.2759 4.8431 4.8431 5.0079 5.0131 5.0184 5.0184 6.9544 6.9544 7.1881 7.1933 7.2193 7.2193 8.5617 8.5617 8.8522 8.8523 8.9420 8.9991 9.1096 9.1252 9.1290 9.1292 9.1877 9.1877 9.2635 9.2636 9.6611 9.6612 9.7206 9.7922 9.8071 9.8071 10.2946 10.3143 10.3143 10.3159 11.1807 11.1807 11.1852 11.1946 12.2289 12.2289 14.4482 14.4482 14.7741 14.7741 k = 0.4638-0.3674 0.7741 ( 2629 PWs) bands (ev): -4.5224 -4.5224 -2.5327 -2.5301 -2.5301 -2.5287 3.3064 3.3064 4.2359 4.2424 4.2498 4.2498 4.8725 4.8725 4.9935 4.9981 5.0040 5.0040 6.9393 6.9393 7.1896 7.1943 7.2205 7.2205 8.5499 8.5500 8.8580 8.8580 8.9510 9.0064 9.1166 9.1311 9.1397 9.1399 9.1977 9.1977 9.2685 9.2685 9.6412 9.6412 9.7076 9.7767 9.7954 9.7954 10.3216 10.3368 10.3368 10.3431 11.1630 11.1630 11.1669 11.1782 12.2817 12.2817 14.4488 14.4488 14.7175 14.7175 k = 0.4671-0.3621 0.7905 ( 2623 PWs) bands (ev): -4.5000 -4.5000 -2.5089 -2.5066 -2.5066 -2.5053 3.2475 3.2475 4.2090 4.2150 4.2224 4.2224 4.9003 4.9003 4.9832 4.9874 4.9939 4.9939 6.9254 6.9254 7.1911 7.1953 7.2217 7.2217 8.5366 8.5366 8.8640 8.8640 8.9604 9.0136 9.1230 9.1362 9.1507 9.1508 9.2074 9.2075 9.2744 9.2745 9.6213 9.6213 9.6961 9.7620 9.7847 9.7847 10.3499 10.3609 10.3610 10.3716 11.1421 11.1421 11.1453 11.1583 12.3313 12.3313 14.4486 14.4486 14.6676 14.6676 k = 0.4704-0.3568 0.8070 ( 2623 PWs) bands (ev): -4.4793 -4.4793 -2.4869 -2.4848 -2.4848 -2.4836 3.1934 3.1934 4.1817 4.1873 4.1946 4.1946 4.9261 4.9261 4.9763 4.9800 4.9872 4.9872 6.9127 6.9127 7.1925 7.1963 7.2229 7.2229 8.5224 8.5224 8.8701 8.8701 8.9700 9.0206 9.1287 9.1405 9.1613 9.1614 9.2166 9.2167 9.2816 9.2817 9.6014 9.6015 9.6861 9.7481 9.7750 9.7750 10.3791 10.3864 10.3864 10.4010 11.1185 11.1185 11.1208 11.1355 12.3774 12.3774 14.4475 14.4475 14.6241 14.6242 k = 0.4737-0.3514 0.8235 ( 2635 PWs) bands (ev): -4.4604 -4.4604 -2.4668 -2.4648 -2.4648 -2.4637 3.1445 3.1445 4.1550 4.1601 4.1673 4.1673 4.9494 4.9494 4.9718 4.9751 4.9836 4.9836 6.9013 6.9013 7.1938 7.1971 7.2240 7.2240 8.5080 8.5081 8.8760 8.8760 8.9796 9.0271 9.1337 9.1439 9.1711 9.1712 9.2250 9.2250 9.2904 9.2905 9.5817 9.5817 9.6776 9.7351 9.7663 9.7663 10.4091 10.4128 10.4128 10.4311 11.0924 11.0924 11.0939 11.1099 12.4197 12.4197 14.4456 14.4456 14.5871 14.5871 k = 0.4770-0.3461 0.8400 ( 2629 PWs) bands (ev): -4.4434 -4.4434 -2.4486 -2.4468 -2.4468 -2.4459 3.1008 3.1008 4.1298 4.1343 4.1416 4.1416 4.9679 4.9679 4.9694 4.9722 4.9844 4.9844 6.8913 6.8913 7.1952 7.1980 7.2252 7.2252 8.4941 8.4941 8.8819 8.8819 8.9893 9.0332 9.1382 9.1466 9.1799 9.1800 9.2322 9.2323 9.3012 9.3013 9.5621 9.5621 9.6707 9.7229 9.7587 9.7587 10.4399 10.4402 10.4402 10.4618 11.0648 11.0648 11.0653 11.0823 12.4580 12.4580 14.4427 14.4428 14.5563 14.5563 k = 0.4803-0.3408 0.8565 ( 2641 PWs) bands (ev): -4.4284 -4.4284 -2.4325 -2.4310 -2.4310 -2.4302 3.0626 3.0626 4.1066 4.1106 4.1180 4.1180 4.9682 4.9707 4.9747 4.9747 4.9958 4.9958 6.8825 6.8825 7.1963 7.1988 7.2261 7.2261 8.4809 8.4809 8.8873 8.8873 8.9988 9.0383 9.1418 9.1486 9.1874 9.1875 9.2381 9.2381 9.3139 9.3140 9.5425 9.5426 9.6653 9.7116 9.7521 9.7521 10.4677 10.4678 10.4709 10.4925 11.0355 11.0361 11.0361 11.0531 12.4917 12.4917 14.4388 14.4389 14.5316 14.5316 k = 0.4835-0.3354 0.8730 ( 2656 PWs) bands (ev): -4.4155 -4.4155 -2.4187 -2.4174 -2.4174 -2.4167 3.0300 3.0300 4.0862 4.0895 4.0971 4.0971 4.9680 4.9700 4.9758 4.9758 5.0110 5.0110 6.8750 6.8750 7.1974 7.1994 7.2269 7.2269 8.4690 8.4691 8.8922 8.8922 9.0080 9.0425 9.1448 9.1500 9.1937 9.1937 9.2427 9.2427 9.3282 9.3283 9.5232 9.5232 9.6614 9.7012 9.7464 9.7464 10.4951 10.4951 10.5017 10.5225 11.0055 11.0072 11.0072 11.0232 12.5208 12.5208 14.4339 14.4339 14.5128 14.5129 k = 0.4868-0.3301 0.8894 ( 2656 PWs) bands (ev): -4.4048 -4.4048 -2.4072 -2.4061 -2.4061 -2.4056 3.0032 3.0032 4.0690 4.0717 4.0795 4.0795 4.9683 4.9699 4.9765 4.9765 5.0245 5.0245 6.8690 6.8690 7.1983 7.1999 7.2277 7.2277 8.4589 8.4589 8.8964 8.8964 9.0167 9.0455 9.1472 9.1510 9.1988 9.1988 9.2461 9.2461 9.3438 9.3439 9.5042 9.5043 9.6592 9.6918 9.7418 9.7419 10.5213 10.5213 10.5317 10.5510 10.9768 10.9793 10.9793 10.9937 12.5450 12.5450 14.4283 14.4283 14.4995 14.4995 k = 0.4901-0.3248 0.9059 ( 2656 PWs) bands (ev): -4.3965 -4.3965 -2.3981 -2.3972 -2.3972 -2.3969 2.9822 2.9822 4.0553 4.0573 4.0654 4.0654 4.9688 4.9700 4.9771 4.9771 5.0353 5.0353 6.8642 6.8642 7.1991 7.2003 7.2282 7.2282 8.4508 8.4508 8.8999 8.8999 9.0247 9.0470 9.1491 9.1516 9.2027 9.2027 9.2487 9.2487 9.3600 9.3601 9.4858 9.4859 9.6585 9.6834 9.7383 9.7383 10.5451 10.5451 10.5596 10.5764 10.9508 10.9540 10.9540 10.9660 12.5640 12.5640 14.4226 14.4226 14.4906 14.4906 k = 0.4934-0.3195 0.9224 ( 2656 PWs) bands (ev): -4.3904 -4.3904 -2.3915 -2.3908 -2.3908 -2.3907 2.9672 2.9672 4.0455 4.0468 4.0551 4.0551 4.9694 4.9702 4.9776 4.9776 5.0431 5.0431 6.8608 6.8608 7.1997 7.2005 7.2287 7.2287 8.4448 8.4448 8.9024 8.9024 9.0318 9.0471 9.1504 9.1519 9.2054 9.2055 9.2503 9.2503 9.3760 9.3760 9.4686 9.4686 9.6593 9.6761 9.7357 9.7357 10.5646 10.5646 10.5837 10.5965 10.9301 10.9332 10.9332 10.9419 12.5778 12.5778 14.4179 14.4179 14.4850 14.4850 k = 0.4967-0.3141 0.9389 ( 2662 PWs) bands (ev): -4.3868 -4.3868 -2.3874 -2.3870 -2.3869 -2.3869 2.9581 2.9581 4.0396 4.0403 4.0489 4.0489 4.9698 4.9703 4.9780 4.9780 5.0479 5.0479 6.8588 6.8588 7.2002 7.2006 7.2289 7.2289 8.4411 8.4411 8.9039 8.9039 9.0377 9.0455 9.1512 9.1519 9.2071 9.2071 9.2513 9.2513 9.3896 9.3896 9.4541 9.4541 9.6614 9.6699 9.7341 9.7341 10.5777 10.5777 10.6015 10.6086 10.9175 10.9193 10.9193 10.9240 12.5860 12.5860 14.4147 14.4147 14.4821 14.4821 k = 0.5000-0.3088 0.9554 ( 2662 PWs) bands (ev): -4.3856 -4.3856 -2.3859 -2.3859 -2.3857 -2.3857 2.9551 2.9551 4.0378 4.0378 4.0468 4.0468 4.9702 4.9702 4.9781 4.9781 5.0495 5.0495 6.8581 6.8581 7.2005 7.2005 7.2290 7.2290 8.4399 8.4399 8.9045 8.9045 9.0423 9.0423 9.1517 9.1517 9.2076 9.2076 9.2516 9.2516 9.3958 9.3958 9.4476 9.4476 9.6650 9.6650 9.7336 9.7336 10.5824 10.5824 10.6104 10.6104 10.9144 10.9144 10.9153 10.9153 12.5888 12.5888 14.4136 14.4136 14.4811 14.4811 k = 0.5000-0.3088 0.9554 ( 2662 PWs) bands (ev): -4.3856 -4.3856 -2.3859 -2.3859 -2.3857 -2.3857 2.9551 2.9551 4.0378 4.0378 4.0468 4.0468 4.9702 4.9702 4.9781 4.9781 5.0495 5.0495 6.8581 6.8581 7.2005 7.2005 7.2290 7.2290 8.4399 8.4399 8.9045 8.9045 9.0423 9.0423 9.1517 9.1517 9.2076 9.2076 9.2516 9.2516 9.3958 9.3958 9.4476 9.4476 9.6650 9.6650 9.7336 9.7336 10.5824 10.5824 10.6104 10.6104 10.9144 10.9144 10.9153 10.9153 12.5888 12.5888 14.4136 14.4136 14.4811 14.4811 k = 0.4921-0.2930 0.9554 ( 2662 PWs) bands (ev): -4.3860 -4.3858 -2.3859 -2.3858 -2.3854 -2.3850 2.9536 2.9541 4.0393 4.0394 4.0481 4.0487 4.9692 4.9694 4.9768 4.9781 5.0472 5.0478 6.8560 6.8571 7.2019 7.2019 7.2293 7.2318 8.4402 8.4431 8.9018 8.9050 9.0408 9.0422 9.1516 9.1517 9.2040 9.2125 9.2484 9.2576 9.3947 9.3967 9.4452 9.4510 9.6645 9.6660 9.7336 9.7344 10.5790 10.5817 10.6088 10.6102 10.9120 10.9134 10.9186 10.9193 12.5881 12.5894 14.4108 14.4138 14.4747 14.4775 k = 0.4841-0.2771 0.9554 ( 2660 PWs) bands (ev): -4.3870 -4.3866 -2.3861 -2.3859 -2.3841 -2.3833 2.9498 2.9507 4.0431 4.0432 4.0530 4.0544 4.9651 4.9665 4.9753 4.9771 5.0414 5.0426 6.8508 6.8529 7.2061 7.2062 7.2327 7.2379 8.4439 8.4497 8.8973 8.9033 9.0377 9.0401 9.1514 9.1516 9.2023 9.2178 9.2485 9.2656 9.3933 9.3975 9.4436 9.4553 9.6644 9.6676 9.7341 9.7358 10.5718 10.5769 10.6052 10.6083 10.9116 10.9138 10.9241 10.9259 12.5873 12.5900 14.4010 14.4067 14.4595 14.4635 k = 0.4762-0.2613 0.9554 ( 2650 PWs) bands (ev): -4.3887 -4.3880 -2.3864 -2.3862 -2.3817 -2.3806 2.9436 2.9450 4.0480 4.0484 4.0626 4.0648 4.9559 4.9591 4.9746 4.9761 5.0334 5.0353 6.8426 6.8457 7.2128 7.2135 7.2388 7.2471 8.4512 8.4597 8.8912 8.8995 9.0333 9.0362 9.1514 9.1515 9.2028 9.2229 9.2525 9.2749 9.3916 9.3981 9.4431 9.4604 9.6650 9.6696 9.7354 9.7380 10.5614 10.5687 10.5993 10.6045 10.9133 10.9164 10.9315 10.9342 12.5865 12.5904 14.3756 14.3809 14.4426 14.4451 k = 0.4683-0.2455 0.9554 ( 2644 PWs) bands (ev): -4.3909 -4.3900 -2.3868 -2.3865 -2.3783 -2.3768 2.9354 2.9371 4.0541 4.0546 4.0767 4.0796 4.9408 4.9455 4.9745 4.9757 5.0250 5.0273 6.8318 6.8357 7.2218 7.2234 7.2474 7.2592 8.4617 8.4725 8.8837 8.8938 9.0279 9.0304 9.1516 9.1516 9.2054 9.2277 9.2594 9.2849 9.3897 9.3988 9.4434 9.4663 9.6660 9.6719 9.7373 9.7410 10.5481 10.5573 10.5909 10.5984 10.9170 10.9209 10.9406 10.9440 12.5856 12.5908 14.3320 14.3348 14.4253 14.4254 k = 0.4603-0.2296 0.9554 ( 2642 PWs) bands (ev): -4.3937 -4.3926 -2.3873 -2.3869 -2.3740 -2.3722 2.9254 2.9274 4.0615 4.0620 4.0947 4.0983 4.9192 4.9249 4.9746 4.9756 5.0177 5.0200 6.8186 6.8232 7.2326 7.2358 7.2582 7.2739 8.4753 8.4880 8.8753 8.8864 9.0215 9.0231 9.1519 9.1520 9.2101 9.2325 9.2683 9.2951 9.3875 9.3995 9.4446 9.4728 9.6675 9.6747 9.7399 9.7449 10.5322 10.5434 10.5801 10.5901 10.9222 10.9271 10.9516 10.9553 12.5847 12.5910 14.2737 14.2743 14.4038 14.4052 k = 0.4524-0.2138 0.9554 ( 2643 PWs) bands (ev): -4.3969 -4.3957 -2.3879 -2.3875 -2.3689 -2.3668 2.9138 2.9162 4.0702 4.0708 4.1161 4.1203 4.8916 4.8978 4.9748 4.9757 5.0118 5.0138 6.8032 6.8083 7.2451 7.2503 7.2709 7.2909 8.4916 8.5058 8.8661 8.8777 9.0145 9.0146 9.1525 9.1526 9.2164 9.2375 9.2779 9.3051 9.3853 9.4003 9.4466 9.4799 9.6697 9.6778 9.7433 9.7498 10.5140 10.5271 10.5673 10.5798 10.9288 10.9347 10.9643 10.9680 12.5836 12.5911 14.2035 14.2047 14.3798 14.3822 k = 0.4445-0.1980 0.9554 ( 2643 PWs) bands (ev): -4.4007 -4.3992 -2.3886 -2.3881 -2.3630 -2.3606 2.9010 2.9036 4.0803 4.0809 4.1404 4.1451 4.8590 4.8652 4.9752 4.9760 5.0069 5.0085 6.7859 6.7914 7.2591 7.2666 7.2855 7.3099 8.5102 8.5254 8.8564 8.8682 9.0051 9.0074 9.1533 9.1534 9.2241 9.2428 9.2877 9.3145 9.3829 9.4014 9.4495 9.4875 9.6724 9.6812 9.7476 9.7558 10.4938 10.5088 10.5527 10.5678 10.9362 10.9435 10.9787 10.9819 12.5825 12.5911 14.1253 14.1280 14.3538 14.3568 k = 0.4366-0.1821 0.9554 ( 2642 PWs) bands (ev): -4.4049 -4.4033 -2.3894 -2.3887 -2.3564 -2.3538 2.8873 2.8900 4.0917 4.0924 4.1669 4.1721 4.8226 4.8287 4.9756 4.9764 5.0027 5.0037 6.7669 6.7728 7.2744 7.2844 7.3015 7.3304 8.5308 8.5461 8.8465 8.8581 8.9953 9.0002 9.1543 9.1544 9.2327 9.2483 9.2972 9.3232 9.3806 9.4028 9.4532 9.4955 9.6758 9.6851 9.7527 9.7629 10.4719 10.4887 10.5367 10.5542 10.9442 10.9529 10.9949 10.9972 12.5814 12.5910 14.0420 14.0459 14.3265 14.3299 k = 0.4286-0.1663 0.9554 ( 2638 PWs) bands (ev): -4.4094 -4.4077 -2.3902 -2.3895 -2.3493 -2.3464 2.8728 2.8757 4.1044 4.1051 4.1951 4.2009 4.7835 4.7894 4.9762 4.9769 4.9988 4.9992 6.7465 6.7525 7.2909 7.3033 7.3191 7.3522 8.5526 8.5673 8.8366 8.8479 8.9854 8.9932 9.1555 9.1556 9.2419 9.2538 9.3060 9.3310 9.3786 9.4047 9.4577 9.5038 9.6799 9.6894 9.7589 9.7712 10.4484 10.4672 10.5196 10.5394 10.9523 10.9627 11.0125 11.0136 12.5802 12.5908 13.9555 13.9605 14.2986 14.3022 k = 0.4207-0.1504 0.9554 ( 2638 PWs) bands (ev): -4.4143 -4.4124 -2.3910 -2.3902 -2.3417 -2.3386 2.8578 2.8609 4.1182 4.1189 4.2243 4.2306 4.7430 4.7484 4.9768 4.9773 4.9948 4.9950 6.7248 6.7310 7.3084 7.3232 7.3380 7.3750 8.5750 8.5881 8.8269 8.8379 8.9757 8.9866 9.1568 9.1570 9.2511 9.2591 9.3138 9.3377 9.3768 9.4069 9.4630 9.5121 9.6847 9.6942 9.7661 9.7805 10.4236 10.4444 10.5017 10.5235 10.9604 10.9725 11.0309 11.0312 12.5790 12.5904 13.8677 13.8736 14.2707 14.2744 k = 0.4128-0.1346 0.9554 ( 2632 PWs) bands (ev): -4.4194 -4.4174 -2.3919 -2.3910 -2.3337 -2.3304 2.8426 2.8458 4.1331 4.1339 4.2536 4.2607 4.7022 4.7071 4.9774 4.9777 4.9905 4.9914 6.7020 6.7083 7.3268 7.3437 7.3583 7.3986 8.5971 8.6079 8.8177 8.8284 8.9666 8.9807 9.1585 9.1586 9.2600 9.2644 9.3206 9.3435 9.3755 9.4095 9.4690 9.5205 9.6905 9.6996 9.7744 9.7910 10.3980 10.4207 10.4832 10.5069 10.9683 10.9821 11.0490 11.0509 12.5777 12.5898 13.7801 13.7868 14.2437 14.2474 k = 0.4048-0.1188 0.9554 ( 2630 PWs) bands (ev): -4.4247 -4.4226 -2.3927 -2.3919 -2.3256 -2.3221 2.8273 2.8305 4.1490 4.1498 4.2822 4.2900 4.6626 4.6667 4.9774 4.9776 4.9866 4.9884 6.6783 6.6846 7.3459 7.3646 7.3799 7.4228 8.6179 8.6256 8.8093 8.8196 8.9582 8.9756 9.1601 9.1603 9.2682 9.2695 9.3262 9.3483 9.3748 9.4123 9.4758 9.5287 9.6971 9.7058 9.7838 9.8024 10.3718 10.3964 10.4642 10.4896 10.9757 10.9911 11.0674 11.0709 12.5763 12.5891 13.6943 13.7016 14.2180 14.2216 k = 0.3969-0.1029 0.9554 ( 2632 PWs) bands (ev): -4.4302 -4.4280 -2.3936 -2.3927 -2.3174 -2.3138 2.8121 2.8153 4.1658 4.1666 4.3083 4.3171 4.6261 4.6291 4.9756 4.9761 4.9842 4.9866 6.6538 6.6602 7.3658 7.3860 7.4026 7.4477 8.6363 8.6404 8.8020 8.8116 8.9508 8.9714 9.1618 9.1624 9.2745 9.2753 9.3307 9.3523 9.3745 9.4152 9.4830 9.5366 9.7048 9.7130 9.7941 9.8146 10.3453 10.3718 10.4449 10.4719 10.9824 10.9993 11.0856 11.0908 12.5749 12.5882 13.6116 13.6194 14.1943 14.1977 k = 0.3890-0.0871 0.9554 ( 2632 PWs) bands (ev): -4.4357 -4.4335 -2.3945 -2.3935 -2.3092 -2.3055 2.7970 2.8001 4.1833 4.1841 4.3297 4.3396 4.5953 4.5969 4.9722 4.9722 4.9841 4.9864 6.6288 6.6351 7.3863 7.4077 7.4263 7.4730 8.6510 8.6518 8.7963 8.8047 8.9448 8.9682 9.1636 9.1648 9.2795 9.2812 9.3343 9.3560 9.3749 9.4180 9.4907 9.5442 9.7137 9.7212 9.8055 9.8276 10.3191 10.3474 10.4255 10.4537 10.9884 11.0067 11.1032 11.1100 12.5735 12.5872 13.5334 13.5416 14.1731 14.1762 k = 0.3810-0.0713 0.9554 ( 2635 PWs) bands (ev): -4.4413 -4.4391 -2.3953 -2.3943 -2.3012 -2.2975 2.7820 2.7852 4.2014 4.2022 4.3431 4.3541 4.5739 4.5740 4.9670 4.9675 4.9850 4.9872 6.6034 6.6097 7.4074 7.4298 7.4511 7.4989 8.6593 8.6610 8.7922 8.7984 8.9403 8.9657 9.1655 9.1675 9.2846 9.2857 9.3372 9.3594 9.3760 9.4207 9.4987 9.5514 9.7237 9.7308 9.8176 9.8413 10.2933 10.3233 10.4061 10.4353 10.9934 11.0130 11.1195 11.1278 12.5721 12.5860 13.4609 13.4693 14.1546 14.1575 k = 0.3731-0.0554 0.9554 ( 2633 PWs) bands (ev): -4.4469 -4.4446 -2.3960 -2.3950 -2.2936 -2.2898 2.7674 2.7705 4.2201 4.2208 4.3450 4.3568 4.5644 4.5653 4.9610 4.9620 4.9864 4.9884 6.5778 6.5840 7.4290 7.4522 7.4768 7.5253 8.6632 8.6656 8.7898 8.7926 8.9375 8.9637 9.1677 9.1705 9.2890 9.2898 9.3394 9.3622 9.3783 9.4230 9.5069 9.5581 9.7350 9.7416 9.8305 9.8554 10.2684 10.3001 10.3869 10.4167 10.9973 11.0180 11.1339 11.1436 12.5706 12.5846 13.3952 13.4037 14.1393 14.1418 k = 0.3652-0.0396 0.9554 ( 2627 PWs) bands (ev): -4.4524 -4.4501 -2.3967 -2.3957 -2.2863 -2.2826 2.7530 2.7560 4.2391 4.2398 4.3354 4.3471 4.5689 4.5702 4.9546 4.9559 4.9879 4.9898 6.5523 6.5584 7.4510 7.4749 7.5033 7.5521 8.6638 8.6652 8.7866 8.7884 8.9363 8.9618 9.1702 9.1738 9.2913 9.2953 9.3414 9.3639 9.3826 9.4249 9.5152 9.5644 9.7474 9.7537 9.8440 9.8699 10.2448 10.2779 10.3678 10.3982 10.9999 11.0217 11.1457 11.1566 12.5693 12.5832 13.3375 13.3459 14.1273 14.1293 k = 0.3573-0.0238 0.9554 ( 2625 PWs) bands (ev): -4.4578 -4.4555 -2.3973 -2.3962 -2.2797 -2.2760 2.7389 2.7418 4.2583 4.2590 4.3178 4.3288 4.5839 4.5850 4.9476 4.9492 4.9894 4.9912 6.5269 6.5329 7.4733 7.4979 7.5306 7.5795 8.6605 8.6618 8.7800 8.7869 8.9362 8.9592 9.1730 9.1773 9.2927 9.3008 9.3434 9.3641 9.3890 9.4265 9.5237 9.5705 9.7608 9.7671 9.8579 9.8847 10.2227 10.2571 10.3492 10.3796 11.0012 11.0238 11.1541 11.1662 12.5679 12.5817 13.2886 13.2969 14.1186 14.1201 k = 0.3493-0.0079 0.9554 ( 2613 PWs) bands (ev): -4.4630 -4.4608 -2.3978 -2.3967 -2.2737 -2.2701 2.7252 2.7279 4.2774 4.2780 4.2970 4.3071 4.6047 4.6055 4.9401 4.9421 4.9910 4.9926 6.5020 6.5078 7.4960 7.5212 7.5588 7.6073 8.6523 8.6579 8.7724 8.7848 8.9364 8.9555 9.1763 9.1809 9.2937 9.3063 9.3456 9.3631 9.3971 9.4278 9.5326 9.5766 9.7751 9.7816 9.8721 9.8997 10.2025 10.2381 10.3311 10.3614 11.0011 11.0244 11.1587 11.1716 12.5667 12.5801 13.2494 13.2574 14.1133 14.1143 k = 0.3414 0.0079 0.9554 ( 2607 PWs) bands (ev): -4.4680 -4.4658 -2.3982 -2.3970 -2.2686 -2.2650 2.7117 2.7143 4.2743 4.2826 4.2985 4.2989 4.6280 4.6286 4.9321 4.9344 4.9922 4.9938 6.4777 6.4834 7.5188 7.5445 7.5876 7.6356 8.6415 8.6524 8.7637 8.7819 8.9364 8.9502 9.1800 9.1846 9.2944 9.3111 9.3483 9.3613 9.4061 9.4289 9.5423 9.5828 9.7899 9.7968 9.8862 9.9146 10.1844 10.2210 10.3136 10.3433 10.9994 11.0233 11.1590 11.1725 12.5656 12.5786 13.2204 13.2281 14.1111 14.1116 k = 0.3335 0.0238 0.9554 ( 2611 PWs) bands (ev): -4.4728 -4.4707 -2.3984 -2.3973 -2.2643 -2.2609 2.6985 2.7009 4.2545 4.2627 4.3174 4.3175 4.6519 4.6525 4.9236 4.9262 4.9932 4.9947 6.4542 6.4597 7.5418 7.5680 7.6171 7.6642 8.6282 8.6455 8.7537 8.7781 8.9351 8.9430 9.1839 9.1881 9.2948 9.3150 9.3516 9.3587 9.4155 9.4300 9.5531 9.5896 9.8051 9.8124 9.9001 9.9292 10.1687 10.2061 10.2970 10.3257 10.9960 11.0205 11.1548 11.1685 12.5646 12.5771 13.2020 13.2092 14.1117 14.1118 k = 0.3255 0.0396 0.9554 ( 2615 PWs) bands (ev): -4.4774 -4.4753 -2.3985 -2.3974 -2.2611 -2.2578 2.6857 2.6879 4.2373 4.2448 4.3364 4.3365 4.6752 4.6760 4.9146 4.9175 4.9939 4.9952 6.4318 6.4371 7.5647 7.5915 7.6472 7.6932 8.6131 8.6376 8.7427 8.7739 8.9324 8.9340 9.1879 9.1915 9.2951 9.3177 9.3554 9.3556 9.4246 9.4313 9.5656 9.5974 9.8203 9.8282 9.9135 9.9435 10.1557 10.1937 10.2815 10.3086 10.9910 11.0160 11.1459 11.1595 12.5639 12.5758 13.1940 13.2008 14.1143 14.1150 k = 0.3176 0.0554 0.9554 ( 2609 PWs) bands (ev): -4.4817 -4.4797 -2.3984 -2.3973 -2.2588 -2.2557 2.6732 2.6752 4.2236 4.2305 4.3553 4.3553 4.6973 4.6984 4.9052 4.9084 4.9940 4.9952 6.4107 6.4157 7.5877 7.6149 7.6778 7.7223 8.5962 8.6286 8.7309 8.7695 8.9235 8.9281 9.1922 9.1948 9.2954 9.3194 9.3521 9.3592 9.4328 9.4332 9.5803 9.6065 9.8354 9.8437 9.9261 9.9573 10.1456 10.1840 10.2674 10.2923 10.9844 11.0098 11.1327 11.1458 12.5635 12.5746 13.1963 13.2025 14.1187 14.1201 k = 0.3097 0.0713 0.9554 ( 2606 PWs) bands (ev): -4.4857 -4.4838 -2.3982 -2.3971 -2.2577 -2.2548 2.6611 2.6630 4.2138 4.2201 4.3736 4.3737 4.7174 4.7189 4.8956 4.8991 4.9935 4.9946 6.3910 6.3957 7.6105 7.6383 7.7085 7.7514 8.5777 8.6181 8.7188 8.7653 8.9118 8.9221 9.1964 9.1980 9.2955 9.3201 9.3482 9.3621 9.4355 9.4398 9.5974 9.6174 9.8500 9.8587 9.9376 9.9701 10.1385 10.1772 10.2550 10.2771 10.9762 11.0020 11.1155 11.1278 12.5633 12.5737 13.2083 13.2139 14.1245 14.1266 k = 0.3017 0.0871 0.9554 ( 2604 PWs) bands (ev): -4.4893 -4.4876 -2.3978 -2.3967 -2.2578 -2.2551 2.6495 2.6512 4.2083 4.2141 4.3915 4.3917 4.7349 4.7369 4.8860 4.8899 4.9922 4.9932 6.3729 6.3774 7.6332 7.6614 7.7394 7.7802 8.5577 8.6057 8.7068 8.7614 8.8992 8.9147 9.2004 9.2009 9.2955 9.3202 9.3440 9.3638 9.4383 9.4451 9.6172 9.6303 9.8638 9.8729 9.9478 9.9817 10.1344 10.1734 10.2448 10.2631 10.9665 10.9925 11.0950 11.1060 12.5633 12.5730 13.2292 13.2341 14.1308 14.1336 k = 0.2938 0.1029 0.9554 ( 2600 PWs) bands (ev): -4.4927 -4.4911 -2.3971 -2.3961 -2.2591 -2.2566 2.6384 2.6399 4.2072 4.2125 4.4087 4.4092 4.7491 4.7517 4.8770 4.8814 4.9902 4.9910 6.3566 6.3608 7.6556 7.6844 7.7701 7.8084 8.5365 8.5911 8.6954 8.7579 8.8861 8.9062 9.2037 9.2042 9.2953 9.3198 9.3395 9.3640 9.4411 9.4488 9.6392 9.6455 9.8765 9.8859 9.9565 9.9918 10.1331 10.1727 10.2372 10.2507 10.9554 10.9817 11.0720 11.0813 12.5638 12.5726 13.2580 13.2622 14.1368 14.1404 k = 0.2859 0.1188 0.9554 ( 2597 PWs) bands (ev): -4.4958 -4.4942 -2.3963 -2.3953 -2.2616 -2.2593 2.6280 2.6294 4.2106 4.2154 4.4253 4.4259 4.7589 4.7621 4.8696 4.8743 4.9873 4.9879 6.3422 6.3461 7.6778 7.7070 7.8003 7.8357 8.5144 8.5742 8.6853 8.7551 8.8729 8.8966 9.2064 9.2077 9.2949 9.3190 9.3348 9.3628 9.4436 9.4512 9.6629 9.6632 9.8877 9.8976 9.9635 9.9999 10.1344 10.1747 10.2326 10.2404 10.9429 10.9694 11.0471 11.0544 12.5644 12.5724 13.2938 13.2970 14.1418 14.1461 k = 0.2780 0.1346 0.9554 ( 2595 PWs) bands (ev): -4.4986 -4.4972 -2.3953 -2.3943 -2.2653 -2.2632 2.6184 2.6196 4.2184 4.2229 4.4411 4.4419 4.7631 4.7667 4.8651 4.8698 4.9834 4.9838 6.3297 6.3333 7.6995 7.7292 7.8297 7.8616 8.4919 8.5548 8.6766 8.7530 8.8598 8.8863 9.2090 9.2110 9.2943 9.3179 9.3299 9.3606 9.4456 9.4524 9.6822 9.6888 9.8973 9.9080 9.9688 10.0060 10.1377 10.1791 10.2315 10.2327 10.9292 10.9560 11.0215 11.0261 12.5654 12.5726 13.3353 13.3376 14.1448 14.1499 k = 0.2700 0.1504 0.9554 ( 2595 PWs) bands (ev): -4.5011 -4.4998 -2.3940 -2.3930 -2.2702 -2.2684 2.6098 2.6108 4.2306 4.2347 4.4561 4.4571 4.7609 4.7644 4.8644 4.8687 4.9786 4.9789 6.3192 6.3225 7.7208 7.7509 7.8577 7.8855 8.4694 8.5334 8.6694 8.7516 8.8471 8.8756 9.2115 9.2139 9.2935 9.3166 9.3250 9.3575 9.4468 9.4526 9.7032 9.7153 9.9052 9.9169 9.9724 10.0096 10.1429 10.1850 10.2282 10.2339 10.9145 10.9415 10.9958 10.9974 12.5667 12.5730 13.3816 13.3828 14.1451 14.1512 k = 0.2621 0.1663 0.9554 ( 2598 PWs) bands (ev): -4.5033 -4.5021 -2.3926 -2.3916 -2.2763 -2.2747 2.6022 2.6030 4.2470 4.2507 4.4701 4.4713 4.7526 4.7557 4.8672 4.8707 4.9730 4.9730 6.3108 6.3136 7.7416 7.7720 7.8840 7.9069 8.4477 8.5107 8.6635 8.7509 8.8350 8.8644 9.2139 9.2165 9.2924 9.3150 9.3200 9.3538 9.4474 9.4520 9.7252 9.7424 9.9115 9.9245 9.9743 10.0109 10.1497 10.1914 10.2276 10.2394 10.8989 10.9261 10.9691 10.9709 12.5681 12.5737 13.4315 13.4316 14.1420 14.1493 k = 0.2542 0.1821 0.9554 ( 2599 PWs) bands (ev): -4.5053 -4.5043 -2.3909 -2.3900 -2.2835 -2.2822 2.5958 2.5965 4.2673 4.2708 4.4830 4.4845 4.7393 4.7419 4.8721 4.8746 4.9664 4.9666 6.3042 6.3067 7.7619 7.7926 7.9080 7.9251 8.4273 8.4874 8.6587 8.7509 8.8237 8.8532 9.2162 9.2188 9.2912 9.3132 9.3151 9.3497 9.4473 9.4509 9.7480 9.7697 9.9164 9.9309 9.9746 10.0099 10.1582 10.1974 10.2313 10.2477 10.8827 10.9101 10.9420 10.9478 12.5697 12.5746 13.4830 13.4842 14.1349 14.1439 k = 0.2462 0.1980 0.9554 ( 2599 PWs) bands (ev): -4.5071 -4.5062 -2.3890 -2.3882 -2.2917 -2.2906 2.5907 2.5913 4.2914 4.2947 4.4948 4.4965 4.7221 4.7243 4.8779 4.8795 4.9593 4.9596 6.2996 6.3017 7.7815 7.8123 7.9290 7.9393 8.4091 8.4645 8.6548 8.7517 8.8134 8.8420 9.2185 9.2208 9.2897 9.3102 9.3112 9.3453 9.4466 9.4495 9.7708 9.7967 9.9201 9.9362 9.9734 10.0068 10.1682 10.2029 10.2385 10.2577 10.8661 10.8936 10.9169 10.9269 12.5715 12.5756 13.5362 13.5387 14.1232 14.1348 k = 0.2383 0.2138 0.9554 ( 2602 PWs) bands (ev): -4.5087 -4.5080 -2.3869 -2.3861 -2.3009 -2.3001 2.5872 2.5876 4.3190 4.3221 4.5053 4.5072 4.7019 4.7038 4.8837 4.8844 4.9518 4.9523 6.2967 6.2985 7.8004 7.8312 7.9464 7.9488 8.3939 8.4428 8.6515 8.7531 8.8040 8.8309 9.2206 9.2226 9.2880 9.3057 9.3089 9.3409 9.4456 9.4478 9.7931 9.8230 9.9229 9.9407 9.9713 10.0019 10.1793 10.2083 10.2479 10.2689 10.8495 10.8774 10.8943 10.9085 12.5733 12.5767 13.5905 13.5944 14.1057 14.1221 k = 0.2304 0.2296 0.9554 ( 2604 PWs) bands (ev): -4.5102 -4.5096 -2.3846 -2.3839 -2.3109 -2.3103 2.5852 2.5856 4.3496 4.3527 4.5143 4.5165 4.6793 4.6810 4.8890 4.8892 4.9442 4.9448 6.2953 6.2968 7.8185 7.8492 7.9530 7.9595 8.3822 8.4232 8.6488 8.7552 8.7958 8.8201 9.2226 9.2241 9.2860 9.3015 9.3064 9.3366 9.4443 9.4459 9.8144 9.8481 9.9250 9.9444 9.9685 9.9956 10.1911 10.2140 10.2582 10.2806 10.8333 10.8624 10.8748 10.8928 12.5750 12.5778 13.6452 13.6506 14.0817 14.1051 k = 0.2224 0.2455 0.9554 ( 2603 PWs) bands (ev): -4.5116 -4.5112 -2.3820 -2.3814 -2.3217 -2.3213 2.5850 2.5852 4.3829 4.3860 4.5217 4.5241 4.6545 4.6561 4.8932 4.8942 4.9370 4.9375 6.2954 6.2966 7.8358 7.8660 7.9518 7.9679 8.3743 8.4066 8.6465 8.7579 8.7890 8.8098 9.2244 9.2253 9.2835 9.2978 9.3035 9.3324 9.4429 9.4441 9.8338 9.8718 9.9267 9.9474 9.9658 9.9885 10.2030 10.2199 10.2685 10.2920 10.8185 10.8493 10.8584 10.8796 12.5766 12.5787 13.6999 13.7068 14.0537 14.0799 k = 0.2145 0.2613 0.9554 ( 2609 PWs) bands (ev): -4.5130 -4.5127 -2.3793 -2.3788 -2.3331 -2.3330 2.5865 2.5867 4.4184 4.4217 4.5273 4.5300 4.6278 4.6294 4.8967 4.8986 4.9304 4.9308 6.2967 6.2975 7.8522 7.8814 7.9454 7.9712 8.3700 8.3932 8.6444 8.7611 8.7834 8.7999 9.2260 9.2263 9.2807 9.2946 9.3003 9.3285 9.4415 9.4423 9.8505 9.8934 9.9283 9.9498 9.9635 9.9810 10.2143 10.2257 10.2779 10.3026 10.8058 10.8389 10.8453 10.8689 12.5779 12.5794 13.7538 13.7622 14.0252 14.0490 k = 0.2066 0.2771 0.9554 ( 2611 PWs) bands (ev): -4.5145 -4.5142 -2.3764 -2.3759 -2.3450 -2.3450 2.5899 2.5900 4.4557 4.4592 4.5310 4.5340 4.5996 4.6012 4.8995 4.9025 4.9250 4.9252 6.2991 6.2996 7.8674 7.8948 7.9345 7.9701 8.3689 8.3834 8.6426 8.7649 8.7793 8.7906 9.2270 9.2272 9.2777 9.2922 9.2967 9.3250 9.4401 9.4407 9.8636 9.9126 9.9304 9.9514 9.9623 9.9736 10.2245 10.2311 10.2860 10.3119 10.7960 10.8316 10.8355 10.8610 12.5788 12.5797 13.8055 13.8149 13.9992 14.0196 k = 0.1987 0.2930 0.9554 ( 2615 PWs) bands (ev): -4.5160 -4.5159 -2.3733 -2.3729 -2.3574 -2.3573 2.5952 2.5952 4.4939 4.4976 4.5324 4.5357 4.5704 4.5721 4.9015 4.9056 4.9213 4.9215 6.3022 6.3025 7.8808 7.9049 7.9205 7.9660 8.3700 8.3767 8.6410 8.7689 8.7765 8.7821 9.2276 9.2279 9.2747 9.2903 9.2929 9.3217 9.4389 9.4392 9.8722 9.9281 9.9332 9.9527 9.9625 9.9674 10.2329 10.2357 10.2925 10.3194 10.7896 10.8275 10.8293 10.8562 12.5791 12.5796 13.8500 13.8579 13.9824 13.9965 k = 0.1907 0.3088 0.9554 ( 2611 PWs) bands (ev): -4.5177 -4.5177 -2.3702 -2.3698 -2.3698 -2.3696 2.6024 2.6024 4.5270 4.5297 4.5297 4.5328 4.5494 4.5495 4.9026 4.9072 4.9204 4.9204 6.3060 6.3060 7.8877 7.9092 7.9092 7.9623 8.3727 8.3727 8.6397 8.7725 8.7752 8.7753 9.2279 9.2279 9.2722 9.2890 9.2891 9.3188 9.4380 9.4381 9.8763 9.9361 9.9362 9.9548 9.9649 9.9650 10.2393 10.2393 10.2970 10.3248 10.7869 10.8268 10.8268 10.8545 12.5787 12.5787 13.8723 13.8723 13.9877 13.9877 k = 0.1907 0.3088 0.9554 ( 2611 PWs) bands (ev): -4.5177 -4.5177 -2.3702 -2.3698 -2.3698 -2.3696 2.6024 2.6024 4.5270 4.5297 4.5297 4.5328 4.5494 4.5495 4.9026 4.9072 4.9204 4.9204 6.3060 6.3060 7.8877 7.9092 7.9092 7.9623 8.3727 8.3727 8.6397 8.7725 8.7752 8.7753 9.2279 9.2279 9.2722 9.2890 9.2891 9.3188 9.4380 9.4381 9.8763 9.9361 9.9362 9.9548 9.9649 9.9650 10.2393 10.2393 10.2970 10.3248 10.7869 10.8268 10.8268 10.8545 12.5787 12.5787 13.8723 13.8723 13.9877 13.9877 k = 0.1874 0.3034 0.9386 ( 2605 PWs) bands (ev): -4.5090 -4.5090 -2.3462 -2.3456 -2.3456 -2.3452 2.5610 2.5610 4.5065 4.5112 4.5147 4.5147 4.5508 4.5509 4.8998 4.9041 4.9181 4.9181 6.2855 6.2855 7.8989 7.9195 7.9195 7.9718 8.3722 8.3722 8.6467 8.7741 8.7838 8.7838 9.2282 9.2282 9.2846 9.3026 9.3026 9.3342 9.4419 9.4420 9.8644 9.9216 9.9217 9.9420 9.9520 9.9521 10.2161 10.2161 10.2767 10.3010 10.7935 10.8286 10.8286 10.8575 12.5792 12.5792 13.8732 13.8732 13.9789 13.9790 k = 0.1840 0.2980 0.9218 ( 2605 PWs) bands (ev): -4.5029 -4.5029 -2.3241 -2.3232 -2.3232 -2.3227 2.5255 2.5255 4.4872 4.4909 4.4960 4.4960 4.5563 4.5563 4.8982 4.9023 4.9169 4.9169 6.2661 6.2661 7.9087 7.9284 7.9284 7.9793 8.3716 8.3716 8.6545 8.7756 8.7922 8.7922 9.2278 9.2278 9.2971 9.3165 9.3165 9.3500 9.4440 9.4441 9.8513 9.9075 9.9076 9.9285 9.9392 9.9393 10.1902 10.1902 10.2529 10.2746 10.8051 10.8352 10.8352 10.8657 12.5693 12.5693 13.8765 13.8765 13.9776 13.9776 k = 0.1807 0.2926 0.9051 ( 2614 PWs) bands (ev): -4.4994 -4.4994 -2.3039 -2.3027 -2.3027 -2.3021 2.4960 2.4960 4.4703 4.4730 4.4788 4.4788 4.5614 4.5614 4.8968 4.9009 4.9159 4.9159 6.2479 6.2479 7.9170 7.9359 7.9359 7.9846 8.3709 8.3710 8.6633 8.7770 8.8004 8.8004 9.2269 9.2269 9.3091 9.3303 9.3304 9.3655 9.4440 9.4441 9.8369 9.8938 9.8939 9.9140 9.9268 9.9269 10.1621 10.1622 10.2266 10.2465 10.8214 10.8468 10.8468 10.8790 12.5488 12.5488 13.8825 13.8825 13.9833 13.9833 k = 0.1773 0.2871 0.8883 ( 2614 PWs) bands (ev): -4.4988 -4.4988 -2.2857 -2.2843 -2.2843 -2.2835 2.4725 2.4725 4.4565 4.4583 4.4646 4.4646 4.5654 4.5654 4.8951 4.8992 4.9146 4.9146 6.2309 6.2309 7.9238 7.9419 7.9419 7.9879 8.3704 8.3704 8.6728 8.7783 8.8083 8.8083 9.2255 9.2255 9.3211 9.3443 9.3444 9.3807 9.4420 9.4420 9.8216 9.8801 9.8802 9.8985 9.9154 9.9155 10.1329 10.1329 10.1989 10.2178 10.8424 10.8633 10.8633 10.8972 12.5181 12.5181 13.8912 13.8912 13.9956 13.9956 k = 0.1740 0.2817 0.8716 ( 2608 PWs) bands (ev): -4.5010 -4.5010 -2.2697 -2.2679 -2.2679 -2.2671 2.4552 2.4552 4.4462 4.4472 4.4539 4.4539 4.5683 4.5683 4.8926 4.8967 4.9125 4.9125 6.2152 6.2152 7.9291 7.9463 7.9464 7.9890 8.3700 8.3700 8.6831 8.7794 8.8158 8.8158 9.2236 9.2236 9.3328 9.3582 9.3583 9.3954 9.4377 9.4378 9.8053 9.8658 9.8659 9.8815 9.9057 9.9058 10.1037 10.1037 10.1710 10.1894 10.8675 10.8844 10.8844 10.9200 12.4777 12.4777 13.9026 13.9026 14.0143 14.0143 k = 0.1706 0.2763 0.8548 ( 2611 PWs) bands (ev): -4.5060 -4.5060 -2.2559 -2.2538 -2.2538 -2.2529 2.4440 2.4440 4.4399 4.4401 4.4472 4.4472 4.5700 4.5700 4.8887 4.8930 4.9091 4.9091 6.2006 6.2006 7.9327 7.9492 7.9492 7.9880 8.3696 8.3697 8.6938 8.7802 8.8225 8.8225 9.2213 9.2213 9.3442 9.3715 9.3716 9.4089 9.4312 9.4314 9.7882 9.8500 9.8501 9.8625 9.8981 9.8981 10.0756 10.0756 10.1443 10.1623 10.8964 10.9098 10.9098 10.9469 12.4280 12.4280 13.9167 13.9167 14.0388 14.0389 k = 0.1673 0.2709 0.8380 ( 2605 PWs) bands (ev): -4.5138 -4.5138 -2.2444 -2.2420 -2.2420 -2.2410 2.4390 2.4390 4.4374 4.4379 4.4448 4.4448 4.5704 4.5704 4.8835 4.8879 4.9043 4.9043 6.1872 6.1872 7.9347 7.9505 7.9505 7.9850 8.3697 8.3697 8.7049 8.7808 8.8285 8.8285 9.2185 9.2185 9.3551 9.3835 9.3837 9.4207 9.4233 9.4235 9.7710 9.8325 9.8325 9.8413 9.8927 9.8927 10.0501 10.0501 10.1202 10.1374 10.9287 10.9391 10.9391 10.9775 12.3701 12.3701 13.9335 13.9335 14.0691 14.0691 k = 0.1640 0.2655 0.8213 ( 2605 PWs) bands (ev): -4.5244 -4.5244 -2.2352 -2.2324 -2.2324 -2.2314 2.4401 2.4401 4.4391 4.4403 4.4468 4.4468 4.5695 4.5695 4.8767 4.8814 4.8979 4.8979 6.1750 6.1750 7.9350 7.9502 7.9502 7.9801 8.3695 8.3695 8.7160 8.7810 8.8334 8.8334 9.2155 9.2155 9.3655 9.3913 9.3915 9.4166 9.4168 9.4301 9.7544 9.8132 9.8132 9.8179 9.8894 9.8894 10.0282 10.0282 10.0993 10.1151 10.9642 10.9719 10.9719 11.0113 12.3047 12.3047 13.9530 13.9530 14.1047 14.1047 k = 0.1606 0.2600 0.8045 ( 2605 PWs) bands (ev): -4.5379 -4.5379 -2.2283 -2.2252 -2.2252 -2.2242 2.4472 2.4472 4.4454 4.4472 4.4533 4.4533 4.5676 4.5676 4.8682 4.8732 4.8899 4.8899 6.1640 6.1640 7.9338 7.9483 7.9484 7.9734 8.3697 8.3697 8.7269 8.7807 8.8373 8.8373 9.2117 9.2117 9.3751 9.3877 9.3879 9.4183 9.4184 9.4363 9.7394 9.7927 9.7928 9.7929 9.8877 9.8877 10.0107 10.0107 10.0821 10.0959 11.0024 11.0080 11.0080 11.0480 12.2329 12.2329 13.9751 13.9751 14.1455 14.1455 k = 0.1573 0.2546 0.7878 ( 2602 PWs) bands (ev): -4.5540 -4.5540 -2.2238 -2.2204 -2.2204 -2.2193 2.4602 2.4602 4.4563 4.4587 4.4643 4.4643 4.5646 4.5646 4.8581 4.8634 4.8803 4.8803 6.1542 6.1542 7.9310 7.9450 7.9450 7.9650 8.3701 8.3701 8.7376 8.7800 8.8400 8.8401 9.2075 9.2075 9.3752 9.3753 9.3840 9.4256 9.4256 9.4385 9.7270 9.7664 9.7723 9.7723 9.8871 9.8871 9.9981 9.9981 10.0687 10.0799 11.0432 11.0469 11.0469 11.0874 12.1555 12.1555 13.9998 13.9998 14.1912 14.1912 k = 0.1539 0.2492 0.7710 ( 2608 PWs) bands (ev): -4.5727 -4.5727 -2.2217 -2.2179 -2.2179 -2.2168 2.4789 2.4789 4.4717 4.4744 4.4796 4.4796 4.5607 4.5607 4.8463 4.8520 4.8690 4.8690 6.1454 6.1455 7.9266 7.9402 7.9402 7.9551 8.3707 8.3707 8.7476 8.7788 8.8414 8.8415 9.2028 9.2028 9.3594 9.3594 9.3918 9.4324 9.4325 9.4362 9.7182 9.7398 9.7527 9.7527 9.8872 9.8872 9.9903 9.9903 10.0589 10.0671 11.0862 11.0884 11.0884 11.1289 12.0734 12.0734 14.0269 14.0269 14.2415 14.2415 k = 0.1506 0.2438 0.7542 ( 2608 PWs) bands (ev): -4.5940 -4.5940 -2.2219 -2.2177 -2.2177 -2.2166 2.5030 2.5030 4.4912 4.4944 4.4988 4.4988 4.5563 4.5563 4.8332 4.8394 4.8563 4.8563 6.1380 6.1380 7.9209 7.9340 7.9341 7.9439 8.3715 8.3715 8.7568 8.7769 8.8416 8.8416 9.1975 9.1975 9.3419 9.3419 9.3985 9.4296 9.4371 9.4371 9.7134 9.7141 9.7352 9.7352 9.8878 9.8879 9.9871 9.9872 10.0522 10.0574 11.1312 11.1320 11.1320 11.1724 11.9876 11.9876 14.0565 14.0566 14.2964 14.2964 k = 0.1472 0.2384 0.7375 ( 2602 PWs) bands (ev): -4.6176 -4.6176 -2.2243 -2.2197 -2.2197 -2.2187 2.5324 2.5324 4.5147 4.5180 4.5203 4.5203 4.5529 4.5529 4.8191 4.8259 4.8426 4.8426 6.1317 6.1317 7.9138 7.9267 7.9267 7.9315 8.3724 8.3725 8.7652 8.7745 8.8404 8.8404 9.1916 9.1916 9.3234 9.3235 9.4037 9.4192 9.4388 9.4389 9.6901 9.7124 9.7208 9.7209 9.8892 9.8892 9.9881 9.9882 10.0484 10.0507 11.1777 11.1777 11.1780 11.2176 11.8987 11.8987 14.0885 14.0885 14.3557 14.3558 k = 0.1439 0.2330 0.7207 ( 2596 PWs) bands (ev): -4.6435 -4.6435 -2.2289 -2.2240 -2.2239 -2.2230 2.5666 2.5666 4.5346 4.5346 4.5411 4.5444 4.5591 4.5592 4.8048 4.8124 4.8284 4.8284 6.1266 6.1266 7.9055 7.9180 7.9181 7.9181 8.3735 8.3735 8.7714 8.7725 8.8378 8.8379 9.1850 9.1850 9.3044 9.3045 9.4061 9.4075 9.4374 9.4374 9.6688 9.7101 9.7101 9.7144 9.8914 9.8914 9.9926 9.9927 10.0469 10.0470 11.2249 11.2249 11.2263 11.2641 11.8074 11.8074 14.1227 14.1227 14.4193 14.4193 k = 0.1405 0.2275 0.7039 ( 2596 PWs) bands (ev): -4.6715 -4.6715 -2.2357 -2.2303 -2.2303 -2.2295 2.6054 2.6054 4.5330 4.5330 4.5689 4.5719 4.5829 4.5829 4.7917 4.8004 4.8153 4.8153 6.1226 6.1226 7.8960 7.9037 7.9084 7.9084 8.3747 8.3747 8.7676 8.7785 8.8340 8.8340 9.1776 9.1776 9.2853 9.2853 9.3914 9.4093 9.4328 9.4328 9.6508 9.7028 9.7028 9.7185 9.8950 9.8950 10.0000 10.0001 10.0458 10.0477 11.2735 11.2735 11.2757 11.3117 11.7143 11.7143 14.1591 14.1591 14.4871 14.4871 k = 0.1372 0.2221 0.6872 ( 2602 PWs) bands (ev): -4.7015 -4.7015 -2.2445 -2.2388 -2.2388 -2.2381 2.6484 2.6484 4.5277 4.5277 4.5950 4.5973 4.6092 4.6092 4.7830 4.7931 4.8059 4.8059 6.1197 6.1197 7.8855 7.8885 7.8977 7.8977 8.3759 8.3759 8.7631 8.7833 8.8289 8.8290 9.1691 9.1691 9.2663 9.2664 9.3761 9.4091 9.4257 9.4257 9.6365 9.6985 9.6985 9.7238 9.9004 9.9004 10.0096 10.0097 10.0474 10.0503 11.3230 11.3230 11.3260 11.3601 11.6198 11.6198 14.1973 14.1973 14.5590 14.5590 k = 0.1338 0.2167 0.6704 ( 2602 PWs) bands (ev): -4.7332 -4.7332 -2.2553 -2.2491 -2.2491 -2.2485 2.6950 2.6950 4.5221 4.5221 4.6134 4.6149 4.6297 4.6297 4.7845 4.7961 4.8055 4.8055 6.1180 6.1180 7.8727 7.8740 7.8862 7.8862 8.3770 8.3770 8.7581 8.7868 8.8228 8.8229 9.1596 9.1596 9.2481 9.2481 9.3612 9.4072 9.4170 9.4170 9.6262 9.6963 9.6963 9.7296 9.9080 9.9080 10.0211 10.0212 10.0517 10.0547 11.3732 11.3732 11.3770 11.4090 11.5245 11.5245 14.2374 14.2374 14.6350 14.6350 k = 0.1305 0.2113 0.6537 ( 2608 PWs) bands (ev): -4.7665 -4.7665 -2.2678 -2.2613 -2.2613 -2.2609 2.7449 2.7449 4.5170 4.5170 4.6180 4.6192 4.6374 4.6374 4.8024 4.8148 4.8206 4.8206 6.1173 6.1173 7.8565 7.8617 7.8739 7.8739 8.3780 8.3781 8.7525 8.7891 8.8159 8.8159 9.1486 9.1486 9.2307 9.2308 9.3472 9.4037 9.4073 9.4074 9.6197 9.6954 9.6954 9.7355 9.9180 9.9181 10.0341 10.0341 10.0584 10.0606 11.4210 11.4211 11.4283 11.4315 11.4315 11.4581 14.2789 14.2789 14.7149 14.7150 k = 0.1271 0.2059 0.6369 ( 2620 PWs) bands (ev): -4.8012 -4.8012 -2.2821 -2.2753 -2.2753 -2.2750 2.7974 2.7974 4.5130 4.5130 4.6082 4.6098 4.6304 4.6304 4.8369 4.8495 4.8528 4.8528 6.1176 6.1176 7.8398 7.8486 7.8610 7.8610 8.3788 8.3788 8.7466 8.7903 8.8083 8.8084 9.1360 9.1360 9.2146 9.2147 9.3344 9.3975 9.3976 9.3991 9.6166 9.6949 9.6949 9.7410 9.9307 9.9307 10.0482 10.0482 10.0676 10.0681 11.3322 11.3322 11.4751 11.4751 11.4797 11.5072 14.3217 14.3218 14.7989 14.7989 k = 0.1238 0.2005 0.6201 ( 2620 PWs) bands (ev): -4.8372 -4.8372 -2.2979 -2.2908 -2.2908 -2.2906 2.8519 2.8519 4.5106 4.5106 4.5887 4.5910 4.6127 4.6127 4.8835 4.8960 4.8980 4.8980 6.1191 6.1191 7.8228 7.8350 7.8476 7.8476 8.3793 8.3793 8.7404 8.7905 8.8004 8.8005 9.1219 9.1219 9.2001 9.2002 9.3231 9.3880 9.3881 9.3937 9.6165 9.6945 9.6945 9.7460 9.9461 9.9461 10.0634 10.0635 10.0772 10.0792 11.2365 11.2365 11.5258 11.5258 11.5309 11.5560 14.3656 14.3656 14.8868 14.8868 k = 0.1205 0.1950 0.6034 ( 2614 PWs) bands (ev): -4.8742 -4.8742 -2.3152 -2.3078 -2.3077 -2.3077 2.9077 2.9077 4.5103 4.5103 4.5635 4.5662 4.5886 4.5886 4.9381 4.9505 4.9519 4.9519 6.1217 6.1217 7.8058 7.8209 7.8338 7.8338 8.3795 8.3795 8.7342 8.7898 8.7924 8.7924 9.1064 9.1065 9.1871 9.1872 9.3133 9.3791 9.3791 9.3880 9.6188 9.6937 9.6938 9.7504 9.9642 9.9642 10.0796 10.0796 10.0878 10.0932 11.1411 11.1411 11.5761 11.5761 11.5816 11.6043 14.4100 14.4100 14.9786 14.9786 k = 0.1171 0.1896 0.5866 ( 2617 PWs) bands (ev): -4.9121 -4.9121 -2.3338 -2.3262 -2.3259 -2.3259 2.9640 2.9640 4.5128 4.5128 4.5345 4.5377 4.5605 4.5605 4.9983 5.0107 5.0118 5.0118 6.1253 6.1253 7.7886 7.8063 7.8196 7.8196 8.3791 8.3791 8.7281 8.7844 8.7844 8.7886 9.0899 9.0899 9.1754 9.1754 9.3049 9.3708 9.3708 9.3822 9.6229 9.6925 9.6925 9.7540 9.9847 9.9848 10.0965 10.0965 10.1000 10.1094 11.0464 11.0464 11.6258 11.6258 11.6315 11.6517 14.4548 14.4548 15.0742 15.0743 k = 0.1138 0.1842 0.5699 ( 2617 PWs) bands (ev): -4.9507 -4.9507 -2.3535 -2.3459 -2.3453 -2.3453 3.0200 3.0200 4.5030 4.5066 4.5183 4.5183 4.5302 4.5302 5.0631 5.0755 5.0764 5.0764 6.1298 6.1298 7.7714 7.7914 7.8052 7.8052 8.3780 8.3780 8.7222 8.7767 8.7768 8.7869 9.0728 9.0728 9.1647 9.1647 9.2980 9.3633 9.3633 9.3765 9.6285 9.6907 9.6907 9.7569 10.0077 10.0077 10.1140 10.1142 10.1142 10.1278 10.9526 10.9526 11.6745 11.6745 11.6805 11.6982 14.4993 14.4993 15.1736 15.1736 k = 0.1104 0.1788 0.5531 ( 2611 PWs) bands (ev): -4.9898 -4.9898 -2.3742 -2.3665 -2.3658 -2.3658 3.0748 3.0748 4.4697 4.4735 4.4963 4.4963 4.5296 4.5296 5.1315 5.1440 5.1448 5.1448 6.1354 6.1354 7.7543 7.7762 7.7907 7.7907 8.3761 8.3761 8.7169 8.7696 8.7697 8.7850 9.0555 9.0556 9.1548 9.1549 9.2923 9.3564 9.3564 9.3710 9.6352 9.6885 9.6885 9.7593 10.0329 10.0329 10.1297 10.1326 10.1326 10.1483 10.8599 10.8599 11.7221 11.7221 11.7283 11.7434 14.5433 14.5433 15.2767 15.2767 k = 0.1071 0.1734 0.5363 ( 2614 PWs) bands (ev): -5.0293 -5.0293 -2.3959 -2.3881 -2.3871 -2.3871 3.1275 3.1275 4.4350 4.4390 4.4621 4.4621 4.5447 4.5447 5.2030 5.2156 5.2164 5.2164 6.1419 6.1419 7.7373 7.7609 7.7760 7.7760 8.3733 8.3733 8.7120 8.7632 8.7632 8.7831 9.0385 9.0386 9.1455 9.1456 9.2876 9.3501 9.3501 9.3656 9.6425 9.6856 9.6856 9.7610 10.0602 10.0602 10.1473 10.1516 10.1516 10.1709 10.7685 10.7686 11.7683 11.7683 11.7747 11.7872 14.5862 14.5862 15.3833 15.3834 k = 0.1037 0.1679 0.5196 ( 2608 PWs) bands (ev): -5.0691 -5.0691 -2.4182 -2.4105 -2.4092 -2.4092 3.1770 3.1770 4.3992 4.4033 4.4267 4.4267 4.5656 4.5656 5.2771 5.2898 5.2907 5.2907 6.1493 6.1493 7.7205 7.7455 7.7614 7.7614 8.3694 8.3695 8.7080 8.7576 8.7577 8.7814 9.0221 9.0221 9.1368 9.1368 9.2838 9.3443 9.3443 9.3605 9.6504 9.6824 9.6824 9.7622 10.0894 10.0895 10.1671 10.1714 10.1714 10.1956 10.6788 10.6788 11.8131 11.8131 11.8195 11.8294 14.6275 14.6275 15.4932 15.4933 k = 0.1004 0.1625 0.5028 ( 2608 PWs) bands (ev): -5.1089 -5.1089 -2.4412 -2.4335 -2.4320 -2.4320 3.2226 3.2226 4.3627 4.3668 4.3903 4.3903 4.5930 4.5930 5.3534 5.3662 5.3672 5.3672 6.1576 6.1576 7.7039 7.7301 7.7468 7.7468 8.3644 8.3644 8.7047 8.7530 8.7530 8.7800 9.0066 9.0066 9.1284 9.1285 9.2806 9.3388 9.3388 9.3553 9.6583 9.6786 9.6786 9.7629 10.1202 10.1203 10.1890 10.1919 10.1919 10.2224 10.5911 10.5911 11.8562 11.8562 11.8625 11.8700 14.6667 14.6667 15.6064 15.6064 k = 0.0970 0.1571 0.4861 ( 2590 PWs) bands (ev): -5.1486 -5.1486 -2.4646 -2.4569 -2.4551 -2.4551 3.2636 3.2636 4.3256 4.3298 4.3534 4.3534 4.6273 4.6273 5.4316 5.4445 5.4456 5.4456 6.1667 6.1667 7.6878 7.7149 7.7324 7.7324 8.3582 8.3582 8.7025 8.7495 8.7495 8.7793 8.9923 8.9923 9.1206 9.1206 9.2780 9.3336 9.3336 9.3502 9.6663 9.6745 9.6746 9.7632 10.1523 10.1523 10.2129 10.2130 10.2135 10.2514 10.5061 10.5062 11.8975 11.8975 11.9038 11.9088 14.7032 14.7032 15.7223 15.7224 k = 0.0937 0.1517 0.4693 ( 2584 PWs) bands (ev): -5.1880 -5.1880 -2.4884 -2.4807 -2.4787 -2.4787 3.2993 3.2993 4.2881 4.2923 4.3161 4.3161 4.6689 4.6689 5.5111 5.5241 5.5255 5.5255 6.1766 6.1766 7.6719 7.6997 7.7181 7.7181 8.3507 8.3507 8.7011 8.7469 8.7469 8.7790 8.9794 8.9795 9.1130 9.1131 9.2757 9.3284 9.3284 9.3449 9.6700 9.6700 9.6739 9.7630 10.1841 10.1842 10.2341 10.2341 10.2403 10.2825 10.4257 10.4258 11.9369 11.9369 11.9430 11.9457 14.7366 14.7366 15.8389 15.8410 k = 0.0903 0.1463 0.4525 ( 2584 PWs) bands (ev): -5.2272 -5.2272 -2.5123 -2.5048 -2.5025 -2.5025 3.3295 3.3295 4.2504 4.2546 4.2785 4.2785 4.7178 4.7178 5.5917 5.6048 5.6065 5.6065 6.1873 6.1873 7.6564 7.6847 7.7041 7.7041 8.3416 8.3416 8.7007 8.7453 8.7453 8.7794 8.9679 8.9680 9.1058 9.1058 9.2735 9.3231 9.3232 9.3395 9.6651 9.6652 9.6811 9.7623 10.2110 10.2111 10.2525 10.2525 10.2698 10.3157 10.3577 10.3578 11.9744 11.9744 11.9802 11.9806 14.7663 14.7663 15.9576 15.9617 k = 0.0870 0.1409 0.4358 ( 2584 PWs) bands (ev): -5.2658 -5.2658 -2.5364 -2.5290 -2.5263 -2.5263 3.3542 3.3542 4.2128 4.2170 4.2409 4.2409 4.7738 4.7738 5.6731 5.6862 5.6883 5.6883 6.1987 6.1987 7.6414 7.6700 7.6903 7.6903 8.3311 8.3311 8.7014 8.7448 8.7448 8.7805 8.9580 8.9581 9.0989 9.0989 9.2714 9.3178 9.3179 9.3339 9.6599 9.6599 9.6877 9.7614 10.2033 10.2034 10.2682 10.2683 10.3020 10.3319 10.3321 10.3512 12.0098 12.0098 12.0136 12.0153 14.7920 14.7920 16.0780 16.0841 k = 0.0837 0.1354 0.4190 ( 2596 PWs) bands (ev): -5.3039 -5.3039 -2.5604 -2.5531 -2.5502 -2.5502 3.3735 3.3735 4.1752 4.1794 4.2035 4.2035 4.8364 4.8364 5.7547 5.7678 5.7704 5.7704 6.2107 6.2108 7.6268 7.6555 7.6768 7.6768 8.3192 8.3193 8.7029 8.7450 8.7451 8.7822 8.9497 8.9498 9.0923 9.0924 9.2691 9.3123 9.3123 9.3280 9.6543 9.6544 9.6935 9.7600 10.1449 10.1450 10.2933 10.2934 10.3370 10.3526 10.3527 10.3888 12.0432 12.0432 12.0446 12.0482 14.8133 14.8133 16.1993 16.2075 k = 0.0803 0.1300 0.4023 ( 2596 PWs) bands (ev): -5.3412 -5.3412 -2.5843 -2.5772 -2.5740 -2.5740 3.3878 3.3878 4.1381 4.1422 4.1663 4.1663 4.9051 4.9051 5.8363 5.8494 5.8526 5.8526 6.2234 6.2234 7.6129 7.6416 7.6638 7.6638 8.3060 8.3061 8.7056 8.7464 8.7464 8.7849 8.9430 8.9431 9.0863 9.0863 9.2668 9.3066 9.3067 9.3219 9.6484 9.6485 9.6986 9.7584 10.0736 10.0737 10.3211 10.3212 10.3747 10.3890 10.3891 10.4287 12.0736 12.0746 12.0746 12.0791 14.8298 14.8298 16.3209 16.3312 k = 0.0770 0.1246 0.3855 ( 2590 PWs) bands (ev): -5.3777 -5.3777 -2.6080 -2.6010 -2.5975 -2.5975 3.3976 3.3976 4.1014 4.1054 4.1297 4.1297 4.9791 4.9791 5.9176 5.9306 5.9345 5.9345 6.2367 6.2367 7.5997 7.6282 7.6514 7.6514 8.2916 8.2916 8.7093 8.7487 8.7487 8.7884 8.9379 8.9380 9.0807 9.0807 9.2643 9.3008 9.3008 9.3155 9.6422 9.6423 9.7029 9.7564 10.0009 10.0009 10.3496 10.3496 10.4153 10.4317 10.4318 10.4708 12.1008 12.1040 12.1040 12.1080 14.8414 14.8414 16.4416 16.4536 k = 0.0736 0.1192 0.3687 ( 2602 PWs) bands (ev): -5.4133 -5.4133 -2.6313 -2.6245 -2.6207 -2.6207 3.4034 3.4034 4.0653 4.0692 4.0936 4.0936 5.0574 5.0574 5.9980 6.0110 6.0157 6.0157 6.2504 6.2504 7.5871 7.6153 7.6395 7.6395 8.2759 8.2760 8.7138 8.7515 8.7516 8.7925 8.9341 8.9341 9.0756 9.0756 9.2614 9.2945 9.2946 9.3088 9.6356 9.6356 9.7063 9.7541 9.9291 9.9291 10.3788 10.3788 10.4584 10.4783 10.4783 10.5150 12.1261 12.1314 12.1314 12.1347 14.8478 14.8478 16.5604 16.5732 k = 0.0703 0.1138 0.3520 ( 2596 PWs) bands (ev): -5.4479 -5.4479 -2.6542 -2.6476 -2.6435 -2.6435 3.4059 3.4059 4.0300 4.0338 4.0582 4.0582 5.1393 5.1393 6.0774 6.0902 6.0958 6.0958 6.2646 6.2646 7.5753 7.6032 7.6283 7.6283 8.2594 8.2594 8.7194 8.7553 8.7553 8.7974 8.9316 8.9316 9.0711 9.0711 9.2584 9.2881 9.2881 9.3018 9.6286 9.6286 9.7090 9.7515 9.8594 9.8595 10.4093 10.4093 10.5042 10.5278 10.5278 10.5613 12.1496 12.1570 12.1570 12.1596 14.8489 14.8489 16.6758 16.6893 k = 0.0669 0.1084 0.3352 ( 2590 PWs) bands (ev): -5.4814 -5.4814 -2.6765 -2.6701 -2.6658 -2.6658 3.4057 3.4057 3.9956 3.9993 4.0237 4.0237 5.2237 5.2237 6.1552 6.1678 6.1743 6.1743 6.2794 6.2794 7.5643 7.5918 7.6177 7.6177 8.2419 8.2420 8.7258 8.7598 8.7598 8.8030 8.9301 8.9301 9.0673 9.0673 9.2550 9.2813 9.2814 9.2947 9.6209 9.6209 9.7109 9.7487 9.7925 9.7926 10.4412 10.4413 10.5525 10.5795 10.5795 10.6095 12.1714 12.1807 12.1807 12.1825 14.8447 14.8447 16.7860 16.8001 k = 0.0636 0.1029 0.3185 ( 2596 PWs) bands (ev): -5.5137 -5.5137 -2.6983 -2.6921 -2.6875 -2.6875 3.4031 3.4031 3.9621 3.9657 3.9902 3.9902 5.3099 5.3099 6.2311 6.2435 6.2502 6.2502 6.2951 6.2951 7.5542 7.5812 7.6079 7.6079 8.2237 8.2237 8.7330 8.7647 8.7647 8.8093 8.9292 8.9293 9.0640 9.0640 9.2511 9.2742 9.2742 9.2871 9.6120 9.6120 9.7120 9.7290 9.7291 9.7456 10.4748 10.4748 10.6029 10.6331 10.6332 10.6595 12.1915 12.2027 12.2027 12.2036 14.8351 14.8351 16.8891 16.9034 k = 0.0602 0.0975 0.3017 ( 2608 PWs) bands (ev): -5.5448 -5.5448 -2.7194 -2.7134 -2.7085 -2.7085 3.3988 3.3988 3.9298 3.9332 3.9578 3.9578 5.3970 5.3970 6.3046 6.3048 6.3048 6.3168 6.3302 6.3302 7.5451 7.5715 7.5990 7.5990 8.2048 8.2049 8.7409 8.7702 8.7702 8.8160 8.9289 8.9289 9.0615 9.0615 9.2469 9.2667 9.2667 9.2793 9.5997 9.5997 9.6715 9.6715 9.7124 9.7422 10.5101 10.5101 10.6553 10.6883 10.6883 10.7111 12.2102 12.2230 12.2231 12.2231 14.8201 14.8201 16.9827 16.9969 k = 0.0569 0.0921 0.2849 ( 2608 PWs) bands (ev): -5.5745 -5.5745 -2.7397 -2.7340 -2.7288 -2.7288 3.3930 3.3930 3.8986 3.9019 3.9265 3.9265 5.4843 5.4843 6.3223 6.3223 6.3756 6.3874 6.3999 6.4000 7.5370 7.5629 7.5911 7.5911 8.1857 8.1857 8.7494 8.7761 8.7761 8.8233 8.9289 8.9289 9.0599 9.0599 9.2424 9.2588 9.2589 9.2713 9.5756 9.5756 9.6288 9.6288 9.7122 9.7387 10.5474 10.5474 10.7094 10.7448 10.7448 10.7641 12.2275 12.2409 12.2420 12.2420 14.7996 14.7996 17.0645 17.0782 k = 0.0535 0.0867 0.2682 ( 2602 PWs) bands (ev): -5.6029 -5.6029 -2.7591 -2.7537 -2.7482 -2.7482 3.3863 3.3863 3.8688 3.8719 3.8966 3.8966 5.5710 5.5710 6.3377 6.3377 6.4436 6.4550 6.4689 6.4689 7.5302 7.5554 7.5842 7.5842 8.1666 8.1666 8.7587 8.7824 8.7824 8.8310 8.9289 8.9290 9.0591 9.0591 9.2376 9.2507 9.2507 9.2630 9.5325 9.5325 9.6081 9.6082 9.7115 9.7351 10.5867 10.5867 10.7649 10.8023 10.8023 10.8181 12.2436 12.2574 12.2595 12.2595 14.7736 14.7736 17.0965 17.0965 k = 0.0502 0.0813 0.2514 ( 2600 PWs) bands (ev): -5.6298 -5.6298 -2.7777 -2.7726 -2.7668 -2.7668 3.3788 3.3788 3.8403 3.8432 3.8680 3.8680 5.6563 5.6563 6.3528 6.3528 6.5082 6.5191 6.5348 6.5348 7.5246 7.5490 7.5785 7.5785 8.1471 8.1471 8.7684 8.7889 8.7889 8.8390 8.9288 8.9288 9.0589 9.0589 9.2325 9.2421 9.2421 9.2546 9.4837 9.4837 9.5968 9.5968 9.7103 9.7312 10.6280 10.6280 10.8214 10.8603 10.8604 10.8728 12.2585 12.2725 12.2757 12.2757 14.7421 14.7421 17.0053 17.0053 k = 0.0468 0.0758 0.2346 ( 2606 PWs) bands (ev): -5.6553 -5.6553 -2.7953 -2.7905 -2.7844 -2.7844 3.3708 3.3708 3.8133 3.8161 3.8409 3.8409 5.7397 5.7397 6.3676 6.3676 6.5692 6.5795 6.5971 6.5971 7.5202 7.5439 7.5739 7.5739 8.1276 8.1276 8.7785 8.7955 8.7955 8.8471 8.9284 8.9284 9.0591 9.0591 9.2270 9.2330 9.2331 9.2460 9.4363 9.4363 9.5879 9.5879 9.7086 9.7273 10.6712 10.6712 10.8784 10.9185 10.9185 10.9278 12.2724 12.2864 12.2908 12.2908 14.7051 14.7051 16.9066 16.9066 k = 0.0435 0.0704 0.2179 ( 2606 PWs) bands (ev): -5.6792 -5.6792 -2.8120 -2.8075 -2.8011 -2.8011 3.3626 3.3626 3.7879 3.7905 3.8154 3.8154 5.8205 5.8205 6.3821 6.3821 6.6262 6.6358 6.6555 6.6555 7.5172 7.5400 7.5706 7.5706 8.1085 8.1085 8.7889 8.8021 8.8021 8.8554 8.9275 8.9276 9.0596 9.0596 9.2213 9.2235 9.2236 9.2373 9.3924 9.3924 9.5799 9.5799 9.7067 9.7234 10.7163 10.7164 10.9355 10.9764 10.9764 10.9826 12.2855 12.2993 12.3049 12.3049 14.6628 14.6628 16.8058 16.8058 k = 0.0402 0.0650 0.2011 ( 2606 PWs) bands (ev): -5.7014 -5.7014 -2.8275 -2.8233 -2.8167 -2.8167 3.3544 3.3544 3.7641 3.7665 3.7914 3.7914 5.8982 5.8982 6.3962 6.3962 6.6789 6.6879 6.7098 6.7098 7.5156 7.5375 7.5686 7.5686 8.0897 8.0898 8.7997 8.8087 8.8087 8.8637 8.9263 8.9263 9.0599 9.0599 9.2135 9.2136 9.2155 9.2286 9.3529 9.3530 9.5725 9.5725 9.7046 9.7194 10.7631 10.7631 10.9922 11.0335 11.0335 11.0367 12.2977 12.3112 12.3181 12.3181 14.6155 14.6155 16.7061 16.7061 k = 0.0368 0.0596 0.1844 ( 2606 PWs) bands (ev): -5.7221 -5.7221 -2.8420 -2.8381 -2.8312 -2.8312 3.3464 3.3464 3.7420 3.7442 3.7692 3.7692 5.9720 5.9720 6.4097 6.4097 6.7272 6.7354 6.7596 6.7596 7.5154 7.5363 7.5679 7.5679 8.0716 8.0716 8.8106 8.8151 8.8151 8.8718 8.9246 8.9246 9.0596 9.0596 9.2029 9.2030 9.2093 9.2197 9.3185 9.3186 9.5654 9.5654 9.7024 9.7155 10.8112 10.8113 11.0478 11.0892 11.0892 11.0895 12.3093 12.3223 12.3305 12.3305 14.5635 14.5635 16.6103 16.6103 k = 0.0335 0.0542 0.1676 ( 2606 PWs) bands (ev): -5.7411 -5.7411 -2.8553 -2.8518 -2.8446 -2.8446 3.3386 3.3386 3.7216 3.7236 3.7487 3.7487 6.0416 6.0416 6.4226 6.4226 6.7708 6.7783 6.8047 6.8047 7.5166 7.5362 7.5685 7.5685 8.0541 8.0541 8.8212 8.8212 8.8216 8.8797 8.9223 8.9224 9.0582 9.0582 9.1923 9.1924 9.2033 9.2111 9.2896 9.2897 9.5587 9.5588 9.7001 9.7117 10.8602 10.8602 11.1017 11.1405 11.1429 11.1429 12.3203 12.3327 12.3421 12.3421 14.5077 14.5077 16.5203 16.5203 k = 0.0301 0.0488 0.1508 ( 2588 PWs) bands (ev): -5.7583 -5.7583 -2.8675 -2.8643 -2.8568 -2.8568 3.3313 3.3313 3.7031 3.7049 3.7300 3.7300 6.1064 6.1064 6.4347 6.4347 6.8098 6.8165 6.8452 6.8452 7.5191 7.5374 7.5703 7.5703 8.0375 8.0375 8.8270 8.8271 8.8328 8.8873 8.9196 8.9197 9.0552 9.0552 9.1822 9.1823 9.1974 9.2030 9.2664 9.2665 9.5525 9.5525 9.6978 9.7080 10.9094 10.9094 11.1534 11.1890 11.1941 11.1941 12.3308 12.3424 12.3531 12.3531 14.4489 14.4489 16.4377 16.4377 k = 0.0268 0.0433 0.1341 ( 2588 PWs) bands (ev): -5.7739 -5.7739 -2.8784 -2.8755 -2.8679 -2.8679 3.3245 3.3245 3.6863 3.6879 3.7132 3.7132 6.1658 6.1658 6.4459 6.4459 6.8440 6.8498 6.8807 6.8807 7.5225 7.5394 7.5730 7.5730 8.0220 8.0220 8.8323 8.8323 8.8437 8.8942 8.9164 8.9164 9.0503 9.0503 9.1733 9.1734 9.1914 9.1950 9.2480 9.2481 9.5467 9.5467 9.6955 9.7045 10.9581 10.9581 11.2020 11.2342 11.2420 11.2420 12.3407 12.3514 12.3634 12.3634 14.3886 14.3886 16.3635 16.3635 k = 0.0234 0.0379 0.1173 ( 2588 PWs) bands (ev): -5.7876 -5.7876 -2.8881 -2.8856 -2.8777 -2.8777 3.3183 3.3183 3.6715 3.6729 3.6982 3.6982 6.2195 6.2195 6.4561 6.4561 6.8734 6.8785 6.9114 6.9114 7.5268 7.5422 7.5766 7.5766 8.0077 8.0077 8.8369 8.8370 8.8544 8.9004 8.9126 8.9127 9.0438 9.0439 9.1665 9.1666 9.1855 9.1874 9.2337 9.2337 9.5414 9.5414 9.6935 9.7012 11.0054 11.0054 11.2470 11.2756 11.2860 11.2860 12.3500 12.3597 12.3730 12.3730 14.3283 14.3283 16.2982 16.2982 k = 0.0201 0.0325 0.1006 ( 2594 PWs) bands (ev): -5.7996 -5.7996 -2.8965 -2.8944 -2.8862 -2.8862 3.3127 3.3127 3.6585 3.6598 3.6851 3.6851 6.2670 6.2670 6.4652 6.4652 6.8984 6.9026 6.9374 6.9374 7.5317 7.5452 7.5805 7.5805 7.9947 7.9948 8.8409 8.8409 8.8646 8.9056 8.9085 8.9085 9.0365 9.0365 9.1618 9.1619 9.1800 9.1804 9.2224 9.2225 9.5366 9.5366 9.6916 9.6981 11.0501 11.0501 11.2877 11.3126 11.3255 11.3255 12.3587 12.3673 12.3818 12.3818 14.2699 14.2699 16.2422 16.2422 k = 0.0167 0.0271 0.0838 ( 2594 PWs) bands (ev): -5.8098 -5.8098 -2.9037 -2.9019 -2.8935 -2.8935 3.3080 3.3080 3.6476 3.6486 3.6740 3.6740 6.3079 6.3079 6.4731 6.4731 6.9190 6.9225 6.9589 6.9589 7.5368 7.5484 7.5848 7.5848 7.9834 7.9834 8.8442 8.8442 8.8744 8.9042 8.9042 8.9098 9.0292 9.0292 9.1591 9.1592 9.1742 9.1748 9.2136 9.2136 9.5324 9.5325 9.6900 9.6954 11.0912 11.0912 11.3236 11.3446 11.3599 11.3599 12.3666 12.3739 12.3898 12.3898 14.2155 14.2155 16.1952 16.1952 k = 0.0134 0.0217 0.0670 ( 2600 PWs) bands (ev): -5.8181 -5.8181 -2.9095 -2.9081 -2.8994 -2.8994 3.3040 3.3040 3.6386 3.6394 3.6649 3.6649 6.3419 6.3419 6.4797 6.4797 6.9355 6.9382 6.9761 6.9761 7.5418 7.5513 7.5888 7.5888 7.9735 7.9735 8.8468 8.8468 8.8835 8.9000 8.9000 8.9128 9.0228 9.0228 9.1577 9.1578 9.1690 9.1701 9.2067 9.2067 9.5290 9.5290 9.6887 9.6930 11.1272 11.1273 11.3541 11.3710 11.3888 11.3888 12.3736 12.3796 12.3966 12.3966 14.1672 14.1672 16.1573 16.1573 k = 0.0100 0.0163 0.0503 ( 2597 PWs) bands (ev): -5.8246 -5.8246 -2.9140 -2.9129 -2.9041 -2.9041 3.3009 3.3009 3.6316 3.6322 3.6578 3.6578 6.3687 6.3687 6.4849 6.4849 6.9481 6.9501 6.9892 6.9892 7.5464 7.5536 7.5924 7.5924 7.9659 7.9659 8.8486 8.8486 8.8918 8.8963 8.8964 8.9143 9.0177 9.0177 9.1573 9.1573 9.1649 9.1662 9.2015 9.2015 9.5262 9.5263 9.6878 9.6910 11.1570 11.1570 11.3787 11.3916 11.4118 11.4118 12.3795 12.3841 12.4022 12.4022 14.1271 14.1271 16.1282 16.1282 k = 0.0067 0.0108 0.0335 ( 2573 PWs) bands (ev): -5.8293 -5.8293 -2.9172 -2.9165 -2.9074 -2.9074 3.2986 3.2986 3.6266 3.6270 3.6528 3.6528 6.3882 6.3882 6.4887 6.4887 6.9571 6.9585 6.9985 6.9985 7.5503 7.5552 7.5952 7.5952 7.9604 7.9604 8.8500 8.8500 8.8937 8.8937 8.8992 8.9145 9.0142 9.0142 9.1573 9.1574 9.1621 9.1632 9.1979 9.1979 9.5244 9.5244 9.6874 9.6896 11.1794 11.1794 11.3973 11.4059 11.4285 11.4285 12.3841 12.3872 12.4064 12.4064 14.0969 14.0969 16.1076 16.1076 k = 0.0033 0.0054 0.0168 ( 2585 PWs) bands (ev): -5.8321 -5.8321 -2.9190 -2.9187 -2.9095 -2.9095 3.2973 3.2973 3.6236 3.6238 3.6497 3.6497 6.3998 6.3998 6.4910 6.4910 6.9625 6.9631 7.0039 7.0039 7.5532 7.5557 7.5969 7.5969 7.9571 7.9571 8.8506 8.8506 8.8918 8.8918 8.9051 8.9129 9.0120 9.0120 9.1574 9.1574 9.1602 9.1609 9.1955 9.1955 9.5232 9.5232 9.6873 9.6884 11.1931 11.1931 11.4094 11.4137 11.4386 11.4386 12.3873 12.3888 12.4089 12.4089 14.0782 14.0782 16.0953 16.0953 k = 0.0000 0.0000 0.0000 ( 2585 PWs) bands (ev): -5.8330 -5.8330 -2.9195 -2.9195 -2.9101 -2.9101 3.2968 3.2968 3.6227 3.6227 3.6486 3.6486 6.4037 6.4037 6.4918 6.4918 6.9645 6.9645 7.0057 7.0057 7.5550 7.5550 7.5975 7.5975 7.9559 7.9559 8.8508 8.8508 8.8912 8.8912 8.9097 8.9097 9.0113 9.0113 9.1574 9.1574 9.1599 9.1599 9.1948 9.1948 9.5228 9.5228 9.6876 9.6876 11.1978 11.1978 11.4148 11.4148 11.4419 11.4419 12.3888 12.3888 12.4098 12.4098 14.0718 14.0718 16.0912 16.0912 k = 0.0000 0.0000 0.0000 ( 2585 PWs) bands (ev): -5.8330 -5.8330 -2.9195 -2.9195 -2.9101 -2.9101 3.2968 3.2968 3.6227 3.6227 3.6486 3.6486 6.4037 6.4037 6.4918 6.4918 6.9645 6.9645 7.0057 7.0057 7.5550 7.5550 7.5975 7.5975 7.9559 7.9559 8.8508 8.8508 8.8912 8.8912 8.9097 8.9097 9.0113 9.0113 9.1574 9.1574 9.1599 9.1599 9.1948 9.1948 9.5228 9.5228 9.6876 9.6876 11.1978 11.1978 11.4148 11.4148 11.4419 11.4419 12.3888 12.3888 12.4098 12.4098 14.0718 14.0718 16.0912 16.0912 k = 0.0152-0.0094 0.0000 ( 2585 PWs) bands (ev): -5.8323 -5.8323 -2.9205 -2.9204 -2.9110 -2.9110 3.2926 3.2930 3.6253 3.6255 3.6520 3.6528 6.4038 6.4040 6.4941 6.4948 6.9646 6.9647 7.0056 7.0061 7.5543 7.5544 7.5962 7.5975 7.9553 7.9570 8.8495 8.8514 8.8903 8.8908 8.9094 8.9096 9.0086 9.0128 9.1462 9.1480 9.1676 9.1708 9.1947 9.1991 9.5228 9.5239 9.6881 9.6881 11.1877 11.1977 11.4168 11.4174 11.4401 11.4489 12.3829 12.3833 12.4048 12.4053 14.0785 14.0787 16.0885 16.0891 k = 0.0303-0.0187 0.0000 ( 2591 PWs) bands (ev): -5.8302 -5.8302 -2.9236 -2.9233 -2.9136 -2.9134 3.2813 3.2821 3.6273 3.6287 3.6671 3.6690 6.4042 6.4046 6.5018 6.5033 6.9649 6.9651 7.0059 7.0068 7.5519 7.5524 7.5938 7.5962 7.9551 7.9585 8.8476 8.8515 8.8876 8.8891 8.9082 8.9093 9.0049 9.0127 9.1341 9.1371 9.1731 9.1807 9.1995 9.2079 9.5239 9.5260 9.6894 9.6895 11.1693 11.1875 11.4206 11.4241 11.4439 11.4616 12.3624 12.3643 12.3928 12.3948 14.0981 14.0986 16.0811 16.0822 k = 0.0455-0.0281 0.0000 ( 2589 PWs) bands (ev): -5.8267 -5.8266 -2.9294 -2.9287 -2.9174 -2.9167 3.2655 3.2666 3.6251 3.6276 3.6961 3.6989 6.4051 6.4056 6.5147 6.5170 6.9652 6.9659 7.0066 7.0081 7.5472 7.5489 7.5910 7.5938 7.9554 7.9605 8.8449 8.8510 8.8833 8.8867 8.9060 8.9089 9.0004 9.0112 9.1221 9.1278 9.1765 9.1870 9.2096 9.2201 9.5262 9.5293 9.6916 9.6920 11.1451 11.1691 11.4246 11.4306 11.4555 11.4789 12.3266 12.3301 12.3772 12.3810 14.1292 14.1299 16.0693 16.0709 k = 0.0606-0.0374 0.0000 ( 2593 PWs) bands (ev): -5.8218 -5.8217 -2.9381 -2.9369 -2.9218 -2.9206 3.2474 3.2488 3.6203 3.6238 3.7349 3.7382 6.4064 6.4070 6.5326 6.5356 6.9652 6.9668 7.0080 7.0103 7.5398 7.5436 7.5881 7.5910 7.9561 7.9627 8.8413 8.8499 8.8772 8.8835 8.9026 8.9085 8.9949 9.0082 9.1103 9.1204 9.1789 9.1913 9.2228 9.2344 9.5296 9.5337 9.6947 9.6956 11.1171 11.1450 11.4285 11.4356 11.4733 11.4987 12.2786 12.2833 12.3576 12.3631 14.1696 14.1705 16.0534 16.0557 k = 0.0758-0.0468 0.0000 ( 2603 PWs) bands (ev): -5.8156 -5.8154 -2.9497 -2.9481 -2.9267 -2.9251 3.2287 3.2306 3.6141 3.6185 3.7805 3.7843 6.4080 6.4087 6.5550 6.5589 6.9647 6.9676 7.0104 7.0139 7.5294 7.5359 7.5851 7.5886 7.9572 7.9651 8.8363 8.8481 8.8695 8.8798 8.8984 8.9078 8.9882 9.0044 9.0991 9.1148 9.1812 9.1955 9.2370 9.2496 9.5339 9.5390 9.6986 9.7003 11.0866 11.1171 11.4326 11.4406 11.4936 11.5191 12.2217 12.2274 12.3336 12.3405 14.2167 14.2179 16.0342 16.0372 k = 0.0909-0.0561 0.0000 ( 2603 PWs) bands (ev): -5.8080 -5.8078 -2.9639 -2.9619 -2.9322 -2.9303 3.2106 3.2130 3.6072 3.6125 3.8311 3.8352 6.4100 6.4107 6.5815 6.5863 6.9635 6.9683 7.0140 7.0193 7.5161 7.5255 7.5822 7.5871 7.9586 7.9677 8.8298 8.8455 8.8607 8.8758 8.8937 8.9069 8.9802 9.0001 9.0892 9.1108 9.1838 9.2002 9.2516 9.2656 9.5392 9.5454 9.7034 9.7064 11.0544 11.0867 11.4370 11.4461 11.5138 11.5383 12.1591 12.1657 12.3048 12.3131 14.2682 14.2695 16.0122 16.0164 k = 0.1061-0.0655 0.0000 ( 2605 PWs) bands (ev): -5.7991 -5.7989 -2.9805 -2.9783 -2.9384 -2.9361 3.1937 3.1967 3.5999 3.6061 3.8853 3.8897 6.4123 6.4129 6.6115 6.6173 6.9617 6.9688 7.0191 7.0265 7.5001 7.5124 7.5797 7.5863 7.9602 7.9704 8.8215 8.8405 8.8521 8.8717 8.8889 8.9057 8.9713 8.9953 9.0807 9.1080 9.1868 9.2053 9.2663 9.2819 9.5451 9.5530 9.7090 9.7138 11.0209 11.0545 11.4416 11.4521 11.5318 11.5544 12.0941 12.1018 12.2712 12.2810 14.3216 14.3232 15.9884 15.9940 k = 0.1212-0.0749 0.0000 ( 2605 PWs) bands (ev): -5.7889 -5.7887 -2.9995 -2.9970 -2.9452 -2.9427 3.1782 3.1819 3.5930 3.6001 3.9423 3.9469 6.4149 6.4154 6.6440 6.6509 6.9595 6.9692 7.0260 7.0359 7.4819 7.4967 7.5777 7.5861 7.9620 7.9731 8.8110 8.8305 8.8465 8.8677 8.8841 8.9042 8.9617 8.9899 9.0739 9.1061 9.1903 9.2112 9.2810 9.2984 9.5516 9.5616 9.7156 9.7227 10.9866 11.0211 11.4462 11.4584 11.5449 11.5653 12.0304 12.0397 12.2330 12.2442 14.3750 14.3769 15.9636 15.9712 k = 0.1364-0.0842 0.0000 ( 2607 PWs) bands (ev): -5.7775 -5.7773 -3.0207 -3.0180 -2.9526 -2.9498 3.1643 3.1687 3.5870 3.5949 4.0012 4.0060 6.4179 6.4182 6.6781 6.6863 6.9573 6.9701 7.0349 7.0475 7.4617 7.4787 7.5762 7.5862 7.9638 7.9757 8.7984 8.8163 8.8432 8.8639 8.8795 8.9023 8.9518 8.9839 9.0691 9.1047 9.1946 9.2178 9.2957 9.3150 9.5584 9.5714 9.7232 9.7330 10.9516 10.9867 11.4505 11.4648 11.5499 11.5678 11.9723 11.9842 12.1904 12.2031 14.4267 14.4286 15.9391 15.9489 k = 0.1515-0.0936 0.0000 ( 2609 PWs) bands (ev): -5.7650 -5.7648 -3.0438 -3.0410 -2.9605 -2.9575 3.1517 3.1569 3.5825 3.5913 4.0613 4.0662 6.4210 6.4212 6.7124 6.7218 6.9557 6.9722 7.0461 7.0617 7.4398 7.4588 7.5752 7.5865 7.9655 7.9780 8.7838 8.7996 8.8405 8.8601 8.8751 8.9000 8.9419 8.9775 9.0662 9.1038 9.1995 9.2252 9.3103 9.3314 9.5656 9.5821 9.7319 9.7449 10.9160 10.9516 11.4535 11.4709 11.5419 11.5589 11.9251 11.9405 12.1437 12.1579 14.4749 14.4770 15.9159 15.9282 k = 0.1667-0.1029 0.0000 ( 2601 PWs) bands (ev): -5.7514 -5.7511 -3.0688 -3.0659 -2.9688 -2.9657 3.1403 3.1462 3.5803 3.5898 4.1219 4.1270 6.4241 6.4247 6.7450 6.7559 6.9553 6.9761 7.0601 7.0789 7.4168 7.4374 7.5747 7.5872 7.9671 7.9802 8.7674 8.7814 8.8380 8.8564 8.8709 8.8975 8.9321 8.9710 9.0648 9.1032 9.2055 9.2336 9.3248 9.3480 9.5731 9.5937 9.7419 9.7585 10.8799 10.9158 11.4533 11.4761 11.5173 11.5376 11.8933 11.9127 12.0933 12.1091 14.5185 14.5205 15.8952 15.9102 k = 0.1818-0.1123 0.0000 ( 2601 PWs) bands (ev): -5.7367 -5.7365 -3.0955 -3.0924 -2.9775 -2.9743 3.1296 3.1361 3.5808 3.5910 4.1825 4.1876 6.4273 6.4286 6.7738 6.7860 6.9573 6.9829 7.0778 7.0996 7.3929 7.4148 7.5747 7.5881 7.9684 7.9819 8.7491 8.7617 8.8357 8.8526 8.8671 8.8945 8.9227 8.9647 9.0646 9.1027 9.2124 9.2429 9.3391 9.3643 9.5807 9.6060 9.7531 9.7737 10.8434 10.8795 11.4430 11.4697 11.4866 11.5101 11.8781 11.9004 12.0399 12.0578 14.5563 14.5581 15.8780 15.8959 k = 0.1970-0.1217 0.0000 ( 2599 PWs) bands (ev): -5.7211 -5.7209 -3.1236 -3.1205 -2.9864 -2.9831 3.1194 3.1264 3.5849 3.5954 4.2423 4.2474 6.4307 6.4327 6.7965 6.8098 6.9629 6.9931 7.1001 7.1243 7.3686 7.3918 7.5754 7.5895 7.9695 7.9832 8.7291 8.7409 8.8336 8.8485 8.8636 8.8910 8.9140 8.9588 9.0654 9.1024 9.2203 9.2533 9.3531 9.3804 9.5885 9.6188 9.7658 9.7905 10.8063 10.8426 11.4093 11.4205 11.4837 11.4932 11.8758 11.9001 11.9846 12.0055 14.5873 14.5890 15.8653 15.8862 k = 0.2121-0.1310 0.0000 ( 2597 PWs) bands (ev): -5.7047 -5.7044 -3.1530 -3.1499 -2.9955 -2.9922 3.1092 3.1166 3.5928 3.6037 4.3006 4.3058 6.4341 6.4370 6.8121 6.8255 6.9728 7.0060 7.1275 7.1531 7.3446 7.3689 7.5767 7.5912 7.9703 7.9841 8.7076 8.7193 8.8314 8.8442 8.8604 8.8866 8.9067 8.9535 9.0669 9.1023 9.2295 9.2649 9.3667 9.3963 9.5967 9.6319 9.7802 9.8090 10.7687 10.8051 11.3550 11.3620 11.4776 11.4889 11.8797 11.9058 11.9297 11.9565 14.6108 14.6124 15.8580 15.8819 k = 0.2273-0.1404 0.0000 ( 2597 PWs) bands (ev): -5.6875 -5.6872 -3.1835 -3.1803 -3.0048 -3.0014 3.0989 3.1065 3.6051 3.6162 4.3569 4.3621 6.4377 6.4417 6.8206 6.8333 6.9864 7.0202 7.1599 7.1852 7.3220 7.3475 7.5788 7.5936 7.9706 7.9845 8.6847 8.6968 8.8292 8.8395 8.8575 8.8809 8.9013 8.9486 9.0690 9.1023 9.2400 9.2779 9.3801 9.4120 9.6051 9.6454 9.7962 9.8292 10.7305 10.7670 11.2933 11.3001 11.4673 11.4835 11.8673 11.8765 11.9146 11.9325 14.6265 14.6282 15.8567 15.8834 k = 0.2424-0.1497 0.0000 ( 2603 PWs) bands (ev): -5.6697 -5.6694 -3.2147 -3.2116 -3.0140 -3.0107 3.0883 3.0959 3.6219 3.6329 4.4104 4.4156 6.4414 6.4467 6.8233 6.8350 7.0019 7.0344 7.1944 7.2171 7.3033 7.3303 7.5820 7.5968 7.9704 7.9843 8.6607 8.6735 8.8268 8.8347 8.8548 8.8743 8.8979 8.9441 9.0714 9.1024 9.2519 9.2923 9.3931 9.4274 9.6139 9.6590 9.8141 9.8509 10.6916 10.7282 11.2304 11.2370 11.4500 11.4711 11.8208 11.8364 11.9250 11.9427 14.6344 14.6361 15.8615 15.8908 k = 0.2576-0.1591 0.0000 ( 2601 PWs) bands (ev): -5.6515 -5.6511 -3.2465 -3.2434 -3.0232 -3.0199 3.0773 3.0848 3.6433 3.6542 4.4604 4.4656 6.4453 6.4522 6.8216 6.8326 7.0176 7.0479 7.2219 7.2387 7.2976 7.3262 7.5867 7.6013 7.9700 7.9837 8.6358 8.6495 8.8240 8.8299 8.8523 8.8677 8.8958 8.9400 9.0742 9.1029 9.2653 9.3082 9.4057 9.4427 9.6232 9.6727 9.8338 9.8741 10.6519 10.6887 11.1688 11.1749 11.4225 11.4479 11.7787 11.7982 11.9416 11.9591 14.6347 14.6366 15.8724 15.9041 k = 0.2727-0.1684 0.0000 ( 2601 PWs) bands (ev): -5.6328 -5.6325 -3.2785 -3.2755 -3.0322 -3.0290 3.0660 3.0732 3.6693 3.6798 4.5062 4.5114 6.4496 6.4581 6.8164 6.8278 7.0327 7.0603 7.2249 7.2401 7.3172 7.3469 7.5933 7.6076 7.9690 7.9826 8.6103 8.6248 8.8203 8.8255 8.8496 8.8618 8.8947 8.9363 9.0773 9.1035 9.2803 9.3258 9.4180 9.4577 9.6331 9.6866 9.8552 9.8988 10.6114 10.6484 11.1096 11.1152 11.3825 11.4110 11.7474 11.7685 11.9602 11.9768 14.6280 14.6300 15.8892 15.9228 k = 0.2879-0.1778 0.0000 ( 2603 PWs) bands (ev): -5.6139 -5.6136 -3.3106 -3.3077 -3.0410 -3.0379 3.0543 3.0613 3.6995 3.7096 4.5471 4.5522 6.4544 6.4647 6.8087 6.8214 7.0467 7.0717 7.2120 7.2289 7.3527 7.3830 7.6024 7.6165 7.9678 7.9810 8.5842 8.5995 8.8153 8.8215 8.8468 8.8569 8.8943 8.9328 9.0804 9.1043 9.2968 9.3450 9.4300 9.4726 9.6437 9.7006 9.8782 9.9247 10.5699 10.6073 11.0537 11.0588 11.3300 11.3601 11.7277 11.7485 11.9792 11.9949 14.6152 14.6172 15.9112 15.9463 k = 0.3030-0.1872 0.0000 ( 2599 PWs) bands (ev): -5.5950 -5.5947 -3.3423 -3.3396 -3.0495 -3.0465 3.0426 3.0491 3.7337 3.7433 4.5825 4.5875 6.4598 6.4719 6.7991 6.8139 7.0595 7.0818 7.1965 7.2139 7.3909 7.4223 7.6149 7.6295 7.9662 7.9789 8.5579 8.5737 8.8097 8.8176 8.8441 8.8532 8.8944 8.9296 9.0838 9.1054 9.3148 9.3657 9.4419 9.4877 9.6552 9.7151 9.9025 9.9517 10.5276 10.5655 11.0012 11.0066 11.2673 11.2978 11.7174 11.7370 11.9982 12.0127 14.5969 14.5990 15.9376 15.9737 k = 0.3182-0.1965 0.0000 ( 2599 PWs) bands (ev): -5.5763 -5.5760 -3.3735 -3.3709 -3.0577 -3.0548 3.0308 3.0369 3.7715 3.7806 4.6117 4.6167 6.4660 6.4801 6.7882 6.8056 7.0710 7.0907 7.1818 7.1988 7.4263 7.4590 7.6320 7.6477 7.9643 7.9765 8.5313 8.5475 8.8036 8.8135 8.8415 8.8503 8.8949 8.9267 9.0871 9.1067 9.3340 9.3875 9.4540 9.5030 9.6677 9.7299 9.9278 9.9796 10.4845 10.5230 10.9520 10.9589 11.1973 11.2273 11.7137 11.7316 12.0166 12.0300 14.5743 14.5764 15.9674 16.0036 k = 0.3333-0.2059 0.0000 ( 2597 PWs) bands (ev): -5.5579 -5.5575 -3.4038 -3.4013 -3.0654 -3.0627 3.0193 3.0249 3.8125 3.8211 4.6344 4.6393 6.4731 6.4891 6.7764 6.7964 7.0811 7.0982 7.1690 7.1850 7.4566 7.4901 7.6552 7.6718 7.9623 7.9739 8.5047 8.5210 8.7974 8.8090 8.8393 8.8479 8.8958 8.9240 9.0905 9.1082 9.3542 9.4097 9.4672 9.5191 9.6812 9.7453 9.9540 10.0082 10.4409 10.4800 10.9063 10.9158 11.1229 11.1518 11.7142 11.7302 12.0343 12.0465 14.5482 14.5504 15.9991 16.0338 k = 0.3485-0.2152 0.0000 ( 2595 PWs) bands (ev): -5.5400 -5.5397 -3.4329 -3.4306 -3.0726 -3.0701 3.0083 3.0134 3.8562 3.8643 4.6503 4.6550 6.4812 6.4991 6.7641 6.7867 7.0898 7.1039 7.1585 7.1729 7.4815 7.5143 7.6847 7.7014 7.9602 7.9710 8.4782 8.4943 8.7913 8.8042 8.8375 8.8459 8.8968 8.9216 9.0940 9.1099 9.3747 9.4302 9.4835 9.5363 9.6960 9.7614 9.9806 10.0373 10.3970 10.4368 10.8633 10.8771 11.0465 11.0735 11.7172 11.7315 12.0510 12.0620 14.5197 14.5220 16.0288 16.0576 k = 0.3636-0.2246 0.0000 ( 2592 PWs) bands (ev): -5.5229 -5.5226 -3.4605 -3.4583 -3.0793 -3.0770 2.9978 3.0024 3.9022 3.9097 4.6591 4.6637 6.4904 6.5101 6.7516 6.7764 7.0971 7.1076 7.1508 7.1629 7.5013 7.5323 7.7192 7.7350 7.9581 7.9680 8.4520 8.4678 8.7854 8.7992 8.8359 8.8441 8.8981 8.9194 9.0973 9.1117 9.3947 9.4469 9.5047 9.5554 9.7119 9.7782 10.0073 10.0665 10.3531 10.3937 10.8218 10.8424 10.9709 10.9947 11.7217 11.7342 12.0665 12.0764 14.4897 14.4921 16.0421 16.0577 k = 0.3788-0.2339 0.0000 ( 2594 PWs) bands (ev): -5.5067 -5.5064 -3.4862 -3.4843 -3.0854 -3.0834 2.9880 2.9921 3.9498 3.9568 4.6609 4.6654 6.5006 6.5220 6.7390 6.7657 7.1029 7.1094 7.1457 7.1550 7.5174 7.5456 7.7564 7.7708 7.9561 7.9650 8.4263 8.4414 8.7798 8.7940 8.8346 8.8425 8.8994 8.9175 9.1006 9.1135 9.4135 9.4591 9.5316 9.5769 9.7291 9.7958 10.0336 10.0955 10.3096 10.3512 10.7790 10.8111 10.8991 10.9179 11.7268 11.7378 12.0808 12.0896 14.4594 14.4618 16.0201 16.0290 k = 0.3939-0.2433 0.0000 ( 2600 PWs) bands (ev): -5.4917 -5.4915 -3.5098 -3.5081 -3.0909 -3.0891 2.9791 2.9827 3.9984 4.0048 4.6561 4.6604 6.5118 6.5345 6.7266 6.7547 7.1066 7.1102 7.1421 7.1496 7.5307 7.5558 7.7940 7.8067 7.9542 7.9620 8.4013 8.4155 8.7747 8.7888 8.8336 8.8409 8.9007 8.9159 9.1037 9.1152 9.4302 9.4677 9.5626 9.6011 9.7474 9.8141 10.0592 10.1238 10.2671 10.3096 10.7300 10.7809 10.8327 10.8512 11.7321 11.7416 12.0937 12.1014 14.4296 14.4320 15.9837 15.9910 k = 0.4091-0.2527 0.0000 ( 2594 PWs) bands (ev): -5.4782 -5.4780 -3.5310 -3.5295 -3.0957 -3.0941 2.9712 2.9743 4.0473 4.0532 4.6452 4.6493 6.5239 6.5476 6.7146 6.7434 7.1072 7.1121 7.1392 7.1468 7.5422 7.5639 7.8304 7.8416 7.9530 7.9596 8.3774 8.3905 8.7702 8.7837 8.8329 8.8396 8.9020 8.9145 9.1067 9.1168 9.4444 9.4740 9.5963 9.6279 9.7668 9.8330 10.0836 10.1509 10.2263 10.2699 10.6719 10.7382 10.7804 10.8046 11.7374 11.7454 12.1052 12.1118 14.4013 14.4036 15.9480 15.9541 k = 0.4242-0.2620 0.0000 ( 2592 PWs) bands (ev): -5.4663 -5.4661 -3.5494 -3.5481 -3.0998 -3.0985 2.9644 2.9669 4.0954 4.1007 4.6291 4.6330 6.5365 6.5607 6.7031 6.7319 7.1067 7.1139 7.1368 7.1455 7.5521 7.5704 7.8642 7.8739 7.9523 7.9574 8.3550 8.3667 8.7665 8.7787 8.8324 8.8383 8.9033 8.9132 9.1095 9.1181 9.4560 9.4787 9.6309 9.6564 9.7871 9.8520 10.1056 10.1735 10.1899 10.2346 10.6084 10.6745 10.7542 10.7731 11.7422 11.7489 12.1151 12.1206 14.3756 14.3777 15.9165 15.9216 k = 0.4394-0.2714 0.0000 ( 2590 PWs) bands (ev): -5.4563 -5.4561 -3.5648 -3.5638 -3.1032 -3.1021 2.9588 2.9608 4.1415 4.1463 4.6092 4.6127 6.5494 6.5732 6.6926 6.7203 7.1063 7.1146 7.1354 7.1446 7.5606 7.5754 7.8936 7.9022 7.9526 7.9562 8.3347 8.3447 8.7636 8.7741 8.8321 8.8370 8.9045 8.9122 9.1122 9.1192 9.4652 9.4820 9.6650 9.6848 9.8083 9.8707 10.1180 10.1596 10.1813 10.2205 10.5455 10.6093 10.7374 10.7507 11.7465 11.7518 12.1234 12.1278 14.3532 14.3551 15.8904 15.8944 k = 0.4545-0.2807 0.0000 ( 2586 PWs) bands (ev): -5.4482 -5.4481 -3.5771 -3.5763 -3.1058 -3.1050 2.9544 2.9559 4.1839 4.1879 4.5873 4.5904 6.5621 6.5841 6.6838 6.7088 7.1065 7.1142 7.1353 7.1435 7.5678 7.5790 7.9166 7.9241 7.9550 7.9574 8.3174 8.3253 8.7616 8.7699 8.8320 8.8359 8.9057 8.9112 9.1145 9.1199 9.4723 9.4841 9.6965 9.7108 9.8304 9.8874 10.1032 10.1428 10.1775 10.2363 10.4884 10.5490 10.7254 10.7344 11.7501 11.7540 12.1301 12.1333 14.3350 14.3365 15.8699 15.8729 k = 0.4697-0.2901 0.0000 ( 2590 PWs) bands (ev): -5.4424 -5.4423 -3.5859 -3.5854 -3.1076 -3.1071 2.9513 2.9523 4.2196 4.2226 4.5665 4.5690 6.5741 6.5919 6.6778 6.6977 7.1073 7.1131 7.1360 7.1422 7.5735 7.5810 7.9303 7.9358 7.9615 7.9628 8.3040 8.3095 8.7606 8.7663 8.8321 8.8348 8.9067 8.9103 9.1164 9.1200 9.4776 9.4851 9.7225 9.7318 9.8529 9.8995 10.0813 10.1155 10.1969 10.2525 10.4433 10.4961 10.7173 10.7230 11.7529 11.7555 12.1350 12.1372 14.3216 14.3227 15.8554 15.8573 k = 0.4848-0.2994 0.0000 ( 2590 PWs) bands (ev): -5.4388 -5.4388 -3.5912 -3.5910 -3.1087 -3.1084 2.9495 2.9500 4.2447 4.2463 4.5510 4.5524 6.5844 6.5947 6.6764 6.6877 7.1085 7.1116 7.1374 7.1406 7.5778 7.5816 7.9363 7.9389 7.9694 7.9699 8.2959 8.2988 8.7606 8.7635 8.8325 8.8339 8.9076 8.9094 9.1179 9.1198 9.4814 9.4850 9.7404 9.7450 9.8749 9.9024 10.0696 10.0903 10.2216 10.2573 10.4197 10.4532 10.7130 10.7158 11.7549 11.7562 12.1382 12.1393 14.3135 14.3140 15.8468 15.8478 k = 0.5000-0.3088 0.0000 ( 2590 PWs) bands (ev): -5.4376 -5.4376 -3.5929 -3.5929 -3.1089 -3.1089 2.9491 2.9491 4.2544 4.2544 4.5456 4.5456 6.5919 6.5919 6.6801 6.6801 7.1100 7.1100 7.1390 7.1390 7.5805 7.5805 7.9385 7.9385 7.9728 7.9728 8.2941 8.2941 8.7616 8.7616 8.8331 8.8331 8.9086 8.9086 9.1191 9.1191 9.4838 9.4838 9.7481 9.7481 9.8932 9.8932 10.0732 10.0732 10.2447 10.2447 10.4248 10.4248 10.7125 10.7125 11.7560 11.7560 12.1396 12.1396 14.3109 14.3109 15.8443 15.8443 k = 0.5000-0.3088 0.0000 ( 2590 PWs) bands (ev): -5.4376 -5.4376 -3.5929 -3.5929 -3.1089 -3.1089 2.9491 2.9491 4.2544 4.2544 4.5456 4.5456 6.5919 6.5919 6.6801 6.6801 7.1100 7.1100 7.1390 7.1390 7.5805 7.5805 7.9385 7.9385 7.9728 7.9728 8.2941 8.2941 8.7616 8.7616 8.8331 8.8331 8.9086 8.9086 9.1191 9.1191 9.4838 9.4838 9.7481 9.7481 9.8932 9.8932 10.0732 10.0732 10.2447 10.2447 10.4248 10.4248 10.7125 10.7125 11.7560 11.7560 12.1396 12.1396 14.3109 14.3109 15.8443 15.8443 k = 0.5077-0.2963-0.0090 ( 2588 PWs) bands (ev): -5.4373 -5.4373 -3.5924 -3.5924 -3.1102 -3.1101 2.9519 2.9521 4.2532 4.2532 4.5431 4.5432 6.5916 6.5920 6.6822 6.6826 7.1089 7.1110 7.1389 7.1390 7.5782 7.5809 7.9378 7.9384 7.9721 7.9725 8.2952 8.2955 8.7600 8.7625 8.8318 8.8343 8.9079 8.9101 9.1180 9.1194 9.4825 9.4863 9.7483 9.7501 9.8933 9.8936 10.0697 10.0729 10.2450 10.2471 10.4248 10.4273 10.7120 10.7134 11.7551 11.7573 12.1383 12.1393 14.3081 14.3084 15.8403 15.8409 k = 0.5155-0.2838-0.0181 ( 2591 PWs) bands (ev): -5.4364 -5.4363 -3.5910 -3.5909 -3.1140 -3.1138 2.9605 2.9608 4.2495 4.2496 4.5358 4.5359 6.5911 6.5920 6.6888 6.6897 7.1076 7.1119 7.1388 7.1389 7.5742 7.5795 7.9361 7.9372 7.9704 7.9711 8.2988 8.2994 8.7579 8.7629 8.8301 8.8352 8.9080 8.9125 9.1159 9.1187 9.4824 9.4899 9.7504 9.7539 9.8940 9.8948 10.0626 10.0685 10.2479 10.2518 10.4272 10.4322 10.7118 10.7145 11.7545 11.7588 12.1352 12.1372 14.2996 14.3003 15.8291 15.8303 k = 0.5232-0.2712-0.0271 ( 2591 PWs) bands (ev): -5.4348 -5.4347 -3.5886 -3.5884 -3.1202 -3.1199 2.9748 2.9753 4.2434 4.2436 4.5237 4.5239 6.5904 6.5918 6.7000 6.7012 7.1063 7.1127 7.1387 7.1387 7.5686 7.5762 7.9336 7.9352 7.9678 7.9688 8.3047 8.3055 8.7552 8.7625 8.8281 8.8359 8.9090 8.9159 9.1131 9.1174 9.4835 9.4947 9.7539 9.7593 9.8956 9.8971 10.0525 10.0606 10.2533 10.2585 10.4317 10.4390 10.7119 10.7160 11.7542 11.7607 12.1304 12.1334 14.2855 14.2864 15.8108 15.8126 k = 0.5309-0.2587-0.0361 ( 2597 PWs) bands (ev): -5.4326 -5.4325 -3.5851 -3.5850 -3.1287 -3.1283 2.9948 2.9954 4.2350 4.2353 4.5071 4.5074 6.5893 6.5911 6.7154 6.7170 7.1047 7.1133 7.1386 7.1388 7.5613 7.5712 7.9303 7.9322 7.9643 7.9654 8.3126 8.3136 8.7519 8.7613 8.8260 8.8363 8.9109 8.9202 9.1094 9.1153 9.4858 9.5005 9.7582 9.7655 9.8987 9.9011 10.0402 10.0495 10.2610 10.2669 10.4379 10.4471 10.7123 10.7175 11.7544 11.7629 12.1238 12.1279 14.2654 14.2667 15.7860 15.7884 k = 0.5387-0.2462-0.0452 ( 2595 PWs) bands (ev): -5.4298 -5.4297 -3.5808 -3.5805 -3.1394 -3.1389 3.0202 3.0209 4.2243 4.2246 4.4864 4.4867 6.5879 6.5901 6.7348 6.7367 7.1029 7.1137 7.1386 7.1391 7.5527 7.5645 7.9264 7.9285 7.9600 7.9613 8.3227 8.3237 8.7482 8.7592 8.8237 8.8365 8.9138 8.9253 9.1052 9.1127 9.4894 9.5076 9.7625 9.7716 9.9042 9.9077 10.0265 10.0362 10.2706 10.2767 10.4452 10.4561 10.7127 10.7189 11.7550 11.7655 12.1156 12.1207 14.2392 14.2407 15.7564 15.7593 k = 0.5464-0.2337-0.0542 ( 2593 PWs) bands (ev): -5.4265 -5.4264 -3.5754 -3.5751 -3.1521 -3.1515 3.0510 3.0518 4.2113 4.2117 4.4619 4.4623 6.5860 6.5886 6.7577 6.7598 7.1009 7.1136 7.1389 7.1397 7.5429 7.5563 7.9220 7.9242 7.9550 7.9563 8.3344 8.3356 8.7438 8.7561 8.8213 8.8364 8.9175 8.9312 9.1006 9.1098 9.4943 9.5156 9.7657 9.7766 9.9126 9.9176 10.0121 10.0215 10.2816 10.2878 10.4531 10.4654 10.7130 10.7201 11.7560 11.7684 12.1058 12.1118 14.2067 14.2084 15.7243 15.7276 k = 0.5541-0.2212-0.0633 ( 2598 PWs) bands (ev): -5.4228 -5.4226 -3.5691 -3.5688 -3.1667 -3.1661 3.0868 3.0878 4.1961 4.1966 4.4341 4.4345 6.5838 6.5866 6.7835 6.7857 7.0985 7.1130 7.1397 7.1409 7.5319 7.5467 7.9171 7.9192 7.9493 7.9507 8.3476 8.3488 8.7388 8.7518 8.8189 8.8358 8.9221 8.9376 9.0954 9.1065 9.5003 9.5246 9.7673 9.7796 9.9237 9.9309 9.9984 10.0061 10.2938 10.2998 10.4612 10.4744 10.7128 10.7206 11.7575 11.7717 12.0942 12.1012 14.1682 14.1701 15.6925 15.6962 k = 0.5619-0.2087-0.0723 ( 2598 PWs) bands (ev): -5.4186 -5.4184 -3.5619 -3.5616 -3.1830 -3.1823 3.1275 3.1286 4.1789 4.1794 4.4034 4.4038 6.5812 6.5842 6.8116 6.8137 7.0959 7.1116 7.1413 7.1427 7.5198 7.5357 7.9120 7.9140 7.9432 7.9446 8.3621 8.3632 8.7333 8.7462 8.8168 8.8348 8.9276 8.9445 9.0901 9.1031 9.5076 9.5346 9.7669 9.7804 9.9346 9.9462 9.9892 9.9925 10.3068 10.3125 10.4691 10.4829 10.7118 10.7201 11.7595 11.7753 12.0810 12.0889 14.1243 14.1263 15.6640 15.6679 k = 0.5696-0.1961-0.0813 ( 2599 PWs) bands (ev): -5.4140 -5.4139 -3.5538 -3.5534 -3.2007 -3.1999 3.1728 3.1740 4.1597 4.1603 4.3702 4.3706 6.5783 6.5815 6.8412 6.8431 7.0929 7.1095 7.1438 7.1455 7.5068 7.5235 7.9067 7.9084 7.9368 7.9380 8.3776 8.3786 8.7271 8.7394 8.8150 8.8335 8.9337 8.9515 9.0845 9.0997 9.5161 9.5453 9.7646 9.7789 9.9365 9.9538 9.9905 9.9932 10.3204 10.3258 10.4766 10.4906 10.7096 10.7180 11.7619 11.7793 12.0663 12.0751 14.0759 14.0780 15.6407 15.6450 k = 0.5773-0.1836-0.0904 ( 2595 PWs) bands (ev): -5.4092 -5.4091 -3.5448 -3.5443 -3.2196 -3.2188 3.2224 3.2237 4.1387 4.1393 4.3350 4.3354 6.5751 6.5784 6.8716 6.8729 7.0896 7.1066 7.1476 7.1495 7.4930 7.5102 7.9013 7.9028 7.9301 7.9312 8.3939 8.3948 8.7205 8.7314 8.8136 8.8319 8.9404 8.9585 9.0791 9.0965 9.5259 9.5570 9.7606 9.7755 9.9271 9.9438 10.0099 10.0127 10.3342 10.3393 10.4835 10.4973 10.7057 10.7140 11.7648 11.7837 12.0500 12.0596 14.0244 14.0266 15.6242 15.6287 k = 0.5851-0.1711-0.0994 ( 2599 PWs) bands (ev): -5.4042 -5.4041 -3.5349 -3.5344 -3.2394 -3.2385 3.2759 3.2773 4.1159 4.1166 4.2981 4.2986 6.5717 6.5749 6.9018 6.9021 7.0860 7.1029 7.1528 7.1552 7.4784 7.4959 7.8961 7.8973 7.9234 7.9244 8.4108 8.4115 8.7132 8.7221 8.8125 8.8299 8.9475 8.9652 9.0736 9.0934 9.5369 9.5694 9.7553 9.7706 9.9130 9.9282 10.0384 10.0406 10.3478 10.3526 10.4897 10.5030 10.6994 10.7074 11.7681 11.7883 12.0323 12.0426 13.9715 13.9736 15.6151 15.6198 k = 0.5928-0.1586-0.1084 ( 2601 PWs) bands (ev): -5.3991 -5.3990 -3.5242 -3.5237 -3.2599 -3.2589 3.3331 3.3345 4.0917 4.0924 4.2600 4.2605 6.5680 6.5711 6.9295 6.9309 7.0821 7.0986 7.1599 7.1632 7.4629 7.4805 7.8909 7.8919 7.9169 7.9176 8.4280 8.4285 8.7055 8.7119 8.8116 8.8277 8.9547 8.9714 9.0683 9.0907 9.5493 9.5827 9.7489 9.7645 9.8978 9.9117 10.0713 10.0732 10.3612 10.3656 10.4952 10.5077 10.6902 10.6976 11.7718 11.7933 12.0132 12.0241 13.9189 13.9209 15.6134 15.6182 k = 0.6005-0.1461-0.1175 ( 2602 PWs) bands (ev): -5.3941 -5.3939 -3.5127 -3.5121 -3.2807 -3.2797 3.3933 3.3948 4.0661 4.0669 4.2211 4.2216 6.5641 6.5670 6.9540 6.9577 7.0781 7.0936 7.1693 7.1740 7.4468 7.4642 7.8861 7.8868 7.9106 7.9112 8.4454 8.4457 8.6973 8.7007 8.8111 8.8253 8.9618 8.9769 9.0633 9.0884 9.5628 9.5965 9.7418 9.7577 9.8825 9.8952 10.1073 10.1092 10.3738 10.3780 10.4999 10.5113 10.6778 10.6845 11.7757 11.7984 11.9928 12.0043 13.8685 13.8702 15.6189 15.6238 k = 0.6082-0.1335-0.1265 ( 2604 PWs) bands (ev): -5.3892 -5.3890 -3.5004 -3.4997 -3.3016 -3.3006 3.4562 3.4578 4.0395 4.0403 4.1816 4.1821 6.5599 6.5627 6.9743 6.9812 7.0738 7.0880 7.1814 7.1883 7.4298 7.4469 7.8816 7.8822 7.9049 7.9053 8.4627 8.4627 8.6888 8.6889 8.8108 8.8230 8.9686 8.9816 9.0587 9.0864 9.5776 9.6111 9.7341 9.7501 9.8675 9.8792 10.1460 10.1481 10.3855 10.3894 10.5036 10.5138 10.6618 10.6676 11.7798 11.8038 11.9714 11.9831 13.8219 13.8234 15.6309 15.6360 k = 0.6160-0.1210-0.1356 ( 2608 PWs) bands (ev): -5.3845 -5.3844 -3.4874 -3.4867 -3.3222 -3.3212 3.5212 3.5228 4.0122 4.0131 4.1419 4.1424 6.5555 6.5580 6.9898 7.0006 7.0695 7.0818 7.1966 7.2060 7.4122 7.4287 7.8776 7.8781 7.8999 7.9001 8.4793 8.4796 8.6767 8.6802 8.8107 8.8206 8.9749 8.9853 9.0546 9.0849 9.5936 9.6262 9.7259 9.7420 9.8533 9.8638 10.1871 10.1893 10.3959 10.3994 10.5061 10.5150 10.6424 10.6471 11.7838 11.8091 11.9490 11.9609 13.7807 13.7819 15.6489 15.6540 k = 0.6237-0.1085-0.1446 ( 2616 PWs) bands (ev): -5.3802 -5.3801 -3.4736 -3.4729 -3.3424 -3.3414 3.5873 3.5889 3.9848 3.9857 4.1023 4.1027 6.5509 6.5530 7.0003 7.0155 7.0651 7.0750 7.2146 7.2269 7.3939 7.4094 7.8742 7.8747 7.8958 7.8958 8.4950 8.4958 8.6643 8.6716 8.8109 8.8185 8.9804 8.9881 9.0510 9.0837 9.6105 9.6417 9.7174 9.7335 9.8402 9.8494 10.2302 10.2327 10.4047 10.4078 10.5064 10.5138 10.6203 10.6239 11.7876 11.8144 11.9261 11.9376 13.7460 13.7469 15.6721 15.6773 k = 0.6314-0.0960-0.1536 ( 2612 PWs) bands (ev): -5.3764 -5.3763 -3.4592 -3.4584 -3.3617 -3.3607 3.6530 3.6546 3.9587 3.9595 4.0630 4.0634 6.5461 6.5478 7.0062 7.0261 7.0608 7.0679 7.2344 7.2500 7.3752 7.3894 7.8716 7.8720 7.8927 7.8928 8.5095 8.5107 8.6526 8.6638 8.8113 8.8167 8.9848 8.9899 9.0482 9.0828 9.6281 9.6572 9.7088 9.7247 9.8284 9.8360 10.2750 10.2778 10.4116 10.4142 10.5025 10.5084 10.5980 10.6002 11.7906 11.8194 11.9031 11.9136 13.7188 13.7194 15.6999 15.7051 k = 0.6392-0.0835-0.1627 ( 2610 PWs) bands (ev): -5.3733 -5.3732 -3.4441 -3.4432 -3.3799 -3.3790 3.7152 3.7166 3.9368 3.9375 4.0243 4.0247 6.5411 6.5422 7.0081 7.0326 7.0566 7.0605 7.2547 7.2740 7.3568 7.3685 7.8698 7.8701 7.8908 7.8909 8.5218 8.5234 8.6424 8.6573 8.8119 8.8153 8.9880 8.9908 9.0462 9.0821 9.6457 9.6722 9.7004 9.7158 9.8187 9.8244 10.3210 10.3244 10.4164 10.4183 10.4905 10.4948 10.5799 10.5808 11.7922 11.8240 11.8809 11.8892 13.6996 13.7001 15.7316 15.7367 k = 0.6469-0.0709-0.1717 ( 2608 PWs) bands (ev): -5.3709 -5.3708 -3.4284 -3.4275 -3.3968 -3.3959 3.7648 3.7657 3.9277 3.9279 3.9865 3.9869 6.5357 6.5363 7.0068 7.0352 7.0523 7.0533 7.2726 7.2976 7.3403 7.3474 7.8688 7.8690 7.8902 7.8903 8.5309 8.5323 8.6351 8.6532 8.8128 8.8143 8.9899 8.9909 9.0450 9.0814 9.6615 9.6852 9.6930 9.7071 9.8119 9.8151 10.3668 10.3712 10.4185 10.4195 10.4678 10.4706 10.5700 10.5700 11.7908 11.8273 11.8611 11.8652 13.6890 13.6892 15.7664 15.7715 k = 0.6546-0.0584-0.1807 ( 2611 PWs) bands (ev): -5.3694 -5.3694 -3.4135 -3.4117 -3.4107 -3.4107 3.7850 3.7850 3.9421 3.9430 3.9554 3.9554 6.5299 6.5299 7.0031 7.0331 7.0476 7.0477 7.2811 7.3138 7.3320 7.3320 7.8687 7.8687 7.8907 7.8908 8.5356 8.5356 8.6327 8.6524 8.8140 8.8140 8.9904 8.9904 9.0445 9.0807 9.6696 9.6911 9.6911 9.7022 9.8098 9.8098 10.3980 10.4055 10.4182 10.4182 10.4494 10.4494 10.5673 10.5673 11.7836 11.8244 11.8467 11.8467 13.6869 13.6869 15.8029 15.8047 k = 0.6546-0.0584-0.1807 ( 2611 PWs) bands (ev): -5.3694 -5.3694 -3.4135 -3.4117 -3.4107 -3.4107 3.7850 3.7850 3.9421 3.9430 3.9554 3.9554 6.5299 6.5299 7.0031 7.0331 7.0476 7.0477 7.2811 7.3138 7.3320 7.3320 7.8687 7.8687 7.8907 7.8908 8.5356 8.5356 8.6327 8.6524 8.8140 8.8140 8.9904 8.9904 9.0445 9.0807 9.6696 9.6911 9.6911 9.7022 9.8098 9.8098 10.3980 10.4055 10.4182 10.4182 10.4494 10.4494 10.5673 10.5673 11.7836 11.8244 11.8467 11.8467 13.6869 13.6869 15.8029 15.8047 k = 0.6579-0.0531-0.1643 ( 2605 PWs) bands (ev): -5.3741 -5.3741 -3.4184 -3.4168 -3.4157 -3.4157 3.7747 3.7747 3.9388 3.9394 3.9520 3.9520 6.5595 6.5595 7.0272 7.0565 7.0715 7.0715 7.2801 7.3133 7.3322 7.3322 7.8653 7.8653 7.8854 7.8854 8.5296 8.5296 8.6313 8.6463 8.8121 8.8122 8.9927 8.9927 9.0449 9.0845 9.6644 9.6874 9.6874 9.7000 9.8136 9.8136 10.3813 10.3929 10.4103 10.4103 10.4361 10.4361 10.5645 10.5645 11.8405 11.8795 11.9028 11.9028 13.6792 13.6792 15.7538 15.7572 k = 0.6612-0.0478-0.1478 ( 2611 PWs) bands (ev): -5.3774 -5.3774 -3.4217 -3.4203 -3.4191 -3.4191 3.7657 3.7657 3.9370 3.9373 3.9500 3.9500 6.5797 6.5797 7.0481 7.0764 7.0918 7.0918 7.2771 7.3110 7.3302 7.3302 7.8600 7.8600 7.8796 7.8796 8.5259 8.5259 8.6314 8.6416 8.8133 8.8133 8.9942 8.9942 9.0441 9.0875 9.6602 9.6848 9.6849 9.6988 9.8150 9.8151 10.3666 10.3823 10.4057 10.4057 10.4243 10.4244 10.5575 10.5576 11.8898 11.9268 11.9514 11.9514 13.6784 13.6784 15.7122 15.7170 k = 0.6645-0.0424-0.1313 ( 2611 PWs) bands (ev): -5.3791 -5.3791 -3.4234 -3.4222 -3.4209 -3.4209 3.7581 3.7581 3.9366 3.9366 3.9494 3.9494 6.5901 6.5901 7.0654 7.0927 7.1085 7.1085 7.2724 7.3070 7.3263 7.3263 7.8533 7.8533 7.8731 7.8731 8.5249 8.5249 8.6332 8.6385 8.8176 8.8176 8.9949 8.9949 9.0425 9.0896 9.6573 9.6834 9.6834 9.6988 9.8140 9.8140 10.3539 10.3738 10.4038 10.4038 10.4149 10.4150 10.5469 10.5469 11.9307 11.9654 11.9915 11.9915 13.6845 13.6845 15.6791 15.6852 k = 0.6678-0.0371-0.1148 ( 2611 PWs) bands (ev): -5.3792 -5.3792 -3.4235 -3.4225 -3.4211 -3.4211 3.7519 3.7519 3.9373 3.9376 3.9503 3.9503 6.5904 6.5904 7.0786 7.1046 7.1210 7.1210 7.2669 7.3019 7.3211 7.3211 7.8413 7.8413 7.8702 7.8702 8.5263 8.5263 8.6365 8.6370 8.8247 8.8247 8.9949 8.9949 9.0400 9.0908 9.6556 9.6830 9.6830 9.7001 9.8104 9.8104 10.3434 10.3675 10.4011 10.4012 10.4112 10.4112 10.5335 10.5335 11.9621 11.9946 12.0222 12.0222 13.6969 13.6969 15.6552 15.6625 k = 0.6711-0.0318-0.0983 ( 2605 PWs) bands (ev): -5.3778 -5.3778 -3.4219 -3.4212 -3.4197 -3.4197 3.7470 3.7470 3.9395 3.9401 3.9527 3.9527 6.5807 6.5807 7.0869 7.1109 7.1283 7.1283 7.2619 7.2967 7.3156 7.3156 7.8224 7.8224 7.8727 7.8728 8.5300 8.5300 8.6369 8.6412 8.8345 8.8345 8.9941 8.9941 9.0366 9.0910 9.6553 9.6836 9.6837 9.7025 9.8040 9.8040 10.3352 10.3635 10.3955 10.3955 10.4149 10.4150 10.5185 10.5185 11.9834 12.0137 12.0429 12.0429 13.7152 13.7152 15.6412 15.6494 k = 0.6744-0.0265-0.0819 ( 2605 PWs) bands (ev): -5.3749 -5.3749 -3.4188 -3.4182 -3.4167 -3.4167 3.7435 3.7435 3.9432 3.9440 3.9565 3.9565 6.5610 6.5610 7.0889 7.1099 7.1290 7.1290 7.2592 7.2927 7.3112 7.3112 7.7983 7.7983 7.8794 7.8794 8.5356 8.5356 8.6381 8.6472 8.8465 8.8465 8.9926 8.9926 9.0323 9.0902 9.6562 9.6850 9.6850 9.7061 9.7950 9.7950 10.3292 10.3616 10.3901 10.3901 10.4219 10.4219 10.5039 10.5040 11.9944 12.0224 12.0533 12.0533 13.7384 13.7384 15.6371 15.6461 k = 0.6777-0.0211-0.0654 ( 2611 PWs) bands (ev): -5.3704 -5.3704 -3.4140 -3.4137 -3.4120 -3.4120 3.7412 3.7412 3.9483 3.9494 3.9618 3.9618 6.5314 6.5314 7.0834 7.1003 7.1219 7.1219 7.2601 7.2913 7.3094 7.3094 7.7700 7.7700 7.8893 7.8893 8.5430 8.5430 8.6404 8.6544 8.8601 8.8601 8.9904 8.9905 9.0273 9.0885 9.6583 9.6867 9.6867 9.7108 9.7838 9.7838 10.3255 10.3619 10.3857 10.3857 10.4289 10.4289 10.4933 10.4933 11.9948 12.0208 12.0533 12.0533 13.7656 13.7656 15.6429 15.6525 k = 0.6810-0.0158-0.0489 ( 2614 PWs) bands (ev): -5.3643 -5.3643 -3.4076 -3.4076 -3.4058 -3.4058 3.7402 3.7402 3.9548 3.9562 3.9685 3.9685 6.4924 6.4924 7.0698 7.0820 7.1062 7.1062 7.2649 7.2934 7.3112 7.3112 7.7382 7.7382 7.9020 7.9020 8.5517 8.5517 8.6437 8.6624 8.8750 8.8750 8.9880 8.9880 9.0218 9.0860 9.6617 9.6877 9.6877 9.7166 9.7711 9.7711 10.3241 10.3643 10.3818 10.3818 10.4311 10.4311 10.4926 10.4926 11.9851 12.0091 12.0433 12.0433 13.7955 13.7955 15.6579 15.6679 k = 0.6843-0.0105-0.0324 ( 2614 PWs) bands (ev): -5.3568 -5.3568 -3.3998 -3.3997 -3.3980 -3.3980 3.7404 3.7404 3.9628 3.9645 3.9766 3.9766 6.4445 6.4445 7.0482 7.0561 7.0824 7.0824 7.2731 7.2989 7.3165 7.3165 7.7036 7.7036 7.9170 7.9170 8.5616 8.5616 8.6478 8.6712 8.8906 8.8906 8.9855 8.9856 9.0160 9.0829 9.6662 9.6861 9.6861 9.7233 9.7591 9.7591 10.3249 10.3688 10.3776 10.3777 10.4274 10.4274 10.5046 10.5046 11.9658 11.9880 12.0236 12.0236 13.8272 13.8272 15.6813 15.6915 k = 0.6875-0.0052-0.0159 ( 2614 PWs) bands (ev): -5.3477 -5.3477 -3.3905 -3.3902 -3.3886 -3.3886 3.7418 3.7418 3.9722 3.9741 3.9862 3.9862 6.3882 6.3882 7.0193 7.0236 7.0514 7.0514 7.2834 7.3075 7.3246 7.3246 7.6666 7.6666 7.9338 7.9338 8.5722 8.5722 8.6524 8.6804 8.9062 8.9062 8.9835 8.9835 9.0101 9.0793 9.6717 9.6788 9.6788 9.7310 9.7511 9.7511 10.3280 10.3721 10.3721 10.3753 10.4227 10.4227 10.5258 10.5258 11.9376 11.9582 11.9952 11.9952 13.8596 13.8596 15.7117 15.7221 k = 0.6908 0.0002 0.0005 ( 2608 PWs) bands (ev): -5.3372 -5.3372 -3.3796 -3.3791 -3.3777 -3.3777 3.7443 3.7443 3.9830 3.9852 3.9972 3.9972 6.3241 6.3241 6.9841 6.9857 7.0141 7.0141 7.2952 7.3184 7.3347 7.3347 7.6277 7.6277 7.9521 7.9522 8.5833 8.5833 8.6573 8.6900 8.9209 8.9209 8.9828 8.9828 9.0042 9.0754 9.6640 9.6640 9.6782 9.7395 9.7493 9.7494 10.3331 10.3646 10.3646 10.3836 10.4211 10.4211 10.5530 10.5530 11.9015 11.9208 11.9590 11.9590 13.8916 13.8916 15.7479 15.7582 k = 0.6941 0.0055 0.0170 ( 2608 PWs) bands (ev): -5.3252 -5.3252 -3.3672 -3.3664 -3.3652 -3.3652 3.7478 3.7478 3.9952 3.9976 4.0095 4.0095 6.2527 6.2527 6.9430 6.9434 6.9714 6.9714 7.3081 7.3309 7.3462 7.3462 7.5873 7.5873 7.9716 7.9716 8.5946 8.5946 8.6622 8.6995 8.9332 8.9333 8.9845 8.9846 8.9987 9.0713 9.6428 9.6428 9.6856 9.7489 9.7529 9.7529 10.3403 10.3557 10.3557 10.3937 10.4231 10.4231 10.5849 10.5849 11.8585 11.8767 11.9159 11.9159 13.9225 13.9225 15.7882 15.7983 k = 0.6974 0.0108 0.0335 ( 2608 PWs) bands (ev): -5.3118 -5.3118 -3.3532 -3.3523 -3.3512 -3.3512 3.7524 3.7524 4.0087 4.0114 4.0232 4.0232 6.1747 6.1747 6.8960 6.8978 6.9240 6.9240 7.3216 7.3447 7.3587 7.3587 7.5457 7.5457 7.9919 7.9919 8.6057 8.6057 8.6668 8.7089 8.9417 8.9417 8.9904 8.9904 8.9937 9.0673 9.6180 9.6180 9.6937 9.7588 9.7596 9.7597 10.3465 10.3465 10.3493 10.4053 10.4282 10.4282 10.6209 10.6209 11.8098 11.8270 11.8670 11.8670 13.9517 13.9517 15.8307 15.8405 k = 0.7007 0.0162 0.0500 ( 2599 PWs) bands (ev): -5.2970 -5.2970 -3.3377 -3.3366 -3.3357 -3.3356 3.7578 3.7578 4.0235 4.0265 4.0382 4.0382 6.0908 6.0908 6.8452 6.8481 6.8725 6.8725 7.3357 7.3595 7.3718 7.3718 7.5033 7.5033 8.0128 8.0128 8.6166 8.6166 8.6709 8.7178 8.9462 8.9462 8.9896 9.0005 9.0005 9.0637 9.5913 9.5913 9.7024 9.7684 9.7684 9.7695 10.3377 10.3377 10.3601 10.4183 10.4355 10.4355 10.6608 10.6608 11.7564 11.7729 11.8136 11.8136 13.9786 13.9787 15.8737 15.8831 k = 0.7040 0.0215 0.0665 ( 2596 PWs) bands (ev): -5.2808 -5.2808 -3.3208 -3.3195 -3.3187 -3.3187 3.7640 3.7640 4.0395 4.0428 4.0544 4.0544 6.0016 6.0016 6.7909 6.7945 6.8172 6.8172 7.3502 7.3750 7.3849 7.3849 7.4607 7.4607 8.0341 8.0341 8.6269 8.6269 8.6744 8.7262 8.9483 8.9483 8.9865 9.0132 9.0132 9.0605 9.5638 9.5638 9.7118 9.7784 9.7784 9.7806 10.3295 10.3296 10.3724 10.4324 10.4447 10.4447 10.7041 10.7041 11.6995 11.7153 11.7565 11.7565 14.0030 14.0030 15.9153 15.9242 k = 0.7073 0.0268 0.0829 ( 2596 PWs) bands (ev): -5.2633 -5.2633 -3.3024 -3.3010 -3.3003 -3.3003 3.7709 3.7709 4.0568 4.0603 4.0719 4.0719 5.9077 5.9077 6.7332 6.7373 6.7586 6.7586 7.3651 7.3910 7.3942 7.3942 7.4218 7.4219 8.0555 8.0555 8.6364 8.6364 8.6770 8.7339 8.9498 8.9498 8.9845 9.0269 9.0269 9.0582 9.5363 9.5364 9.7215 9.7892 9.7892 9.7921 10.3220 10.3220 10.3861 10.4475 10.4553 10.4553 10.7508 10.7508 11.6399 11.6551 11.6968 11.6968 14.0247 14.0247 15.9534 15.9618 k = 0.7106 0.0321 0.0994 ( 2596 PWs) bands (ev): -5.2446 -5.2446 -3.2826 -3.2810 -3.2804 -3.2804 3.7782 3.7782 4.0752 4.0789 4.0905 4.0905 5.8097 5.8097 6.6728 6.6771 6.6970 6.6970 7.3674 7.3675 7.3802 7.4075 7.4191 7.4192 8.0769 8.0769 8.6451 8.6451 8.6786 8.7406 8.9516 8.9516 8.9839 9.0407 9.0407 9.0566 9.5096 9.5096 9.7317 9.8006 9.8006 9.8041 10.3151 10.3151 10.4010 10.4634 10.4669 10.4669 10.8006 10.8006 11.5786 11.5934 11.6353 11.6353 14.0435 14.0435 15.9860 15.9937 k = 0.7139 0.0375 0.1159 ( 2596 PWs) bands (ev): -5.2246 -5.2246 -3.2615 -3.2597 -3.2593 -3.2593 3.7859 3.7859 4.0947 4.0987 4.1102 4.1102 5.7085 5.7085 6.6096 6.6141 6.6326 6.6326 7.3246 7.3246 7.3956 7.4244 7.4327 7.4327 8.0982 8.0982 8.6526 8.6526 8.6791 8.7463 8.9542 8.9542 8.9846 9.0542 9.0542 9.0560 9.4840 9.4841 9.7422 9.8124 9.8124 9.8164 10.3086 10.3086 10.4168 10.4794 10.4794 10.4797 10.8533 10.8533 11.5166 11.5308 11.5729 11.5730 14.0594 14.0594 16.0107 16.0178 k = 0.7172 0.0428 0.1324 ( 2596 PWs) bands (ev): -5.2034 -5.2034 -3.2390 -3.2371 -3.2367 -3.2367 3.7937 3.7937 4.1152 4.1195 4.1309 4.1309 5.6048 5.6048 6.5439 6.5486 6.5658 6.5658 7.2806 7.2806 7.4113 7.4417 7.4476 7.4476 8.1192 8.1193 8.6591 8.6591 8.6786 8.7510 8.9580 8.9580 8.9867 9.0566 9.0672 9.0672 9.4600 9.4600 9.7529 9.8244 9.8245 9.8289 10.3023 10.3024 10.4333 10.4924 10.4924 10.4961 10.9088 10.9088 11.4547 11.4681 11.5105 11.5105 14.0725 14.0725 16.0254 16.0317 k = 0.7204 0.0481 0.1489 ( 2599 PWs) bands (ev): -5.1812 -5.1812 -3.2152 -3.2132 -3.2130 -3.2130 3.8013 3.8013 4.1367 4.1412 4.1526 4.1526 5.4992 5.4992 6.4761 6.4807 6.4968 6.4968 7.2365 7.2365 7.4273 7.4594 7.4631 7.4631 8.1399 8.1400 8.6645 8.6645 8.6771 8.7547 8.9629 8.9629 8.9901 9.0582 9.0794 9.0795 9.4376 9.4377 9.7639 9.8367 9.8367 9.8417 10.2962 10.2963 10.4502 10.5056 10.5056 10.5123 10.9667 10.9667 11.3935 11.4060 11.4488 11.4488 14.0829 14.0829 16.0276 16.0330 k = 0.7237 0.0534 0.1654 ( 2593 PWs) bands (ev): -5.1578 -5.1578 -3.1902 -3.1880 -3.1879 -3.1879 3.8085 3.8085 4.1592 4.1639 4.1752 4.1752 5.3926 5.3926 6.4063 6.4109 6.4259 6.4259 7.1924 7.1925 7.4435 7.4774 7.4790 7.4790 8.1602 8.1602 8.6690 8.6690 8.6749 8.7575 8.9692 8.9692 8.9949 9.0611 9.0910 9.0910 9.4173 9.4173 9.7751 9.8490 9.8490 9.8547 10.2901 10.2902 10.4672 10.5187 10.5187 10.5279 11.0267 11.0267 11.3339 11.3452 11.3886 11.3886 14.0906 14.0906 16.0154 16.0197 k = 0.7270 0.0588 0.1818 ( 2593 PWs) bands (ev): -5.1335 -5.1335 -3.1639 -3.1618 -3.1617 -3.1617 3.8147 3.8147 4.1824 4.1873 4.1986 4.1986 5.2859 5.2859 6.3348 6.3392 6.3533 6.3533 7.1487 7.1487 7.4599 7.4951 7.4951 7.4956 8.1798 8.1799 8.6718 8.6726 8.6726 8.7593 8.9767 8.9767 9.0008 9.0649 9.1018 9.1018 9.3991 9.3991 9.7863 9.8614 9.8614 9.8678 10.2839 10.2839 10.4839 10.5312 10.5312 10.5424 11.0882 11.0882 11.2765 11.2861 11.3309 11.3309 14.0958 14.0958 15.9870 15.9901 k = 0.7303 0.0641 0.1983 ( 2599 PWs) bands (ev): -5.1082 -5.1082 -3.1366 -3.1344 -3.1344 -3.1343 3.8194 3.8194 4.2063 4.2115 4.2228 4.2228 5.1801 5.1801 6.2618 6.2660 6.2792 6.2792 7.1052 7.1052 7.4766 7.5114 7.5114 7.5142 8.1987 8.1988 8.6681 8.6754 8.6754 8.7604 8.9852 8.9852 9.0077 9.0697 9.1118 9.1118 9.3829 9.3830 9.7976 9.8737 9.8737 9.8810 10.2773 10.2773 10.5000 10.5426 10.5427 10.5552 11.1489 11.1490 11.2222 11.2293 11.2785 11.2785 14.0986 14.0986 15.9418 15.9435 k = 0.7336 0.0694 0.2148 ( 2605 PWs) bands (ev): -5.0822 -5.0822 -3.1082 -3.1060 -3.1060 -3.1058 3.8220 3.8220 4.2309 4.2363 4.2475 4.2475 5.0762 5.0762 6.1875 6.1916 6.2040 6.2040 7.0622 7.0622 7.4935 7.5280 7.5280 7.5330 8.2169 8.2170 8.6641 8.6776 8.6776 8.7608 8.9947 8.9947 9.0154 9.0753 9.1210 9.1211 9.3691 9.3691 9.8088 9.8859 9.8859 9.8942 10.2704 10.2704 10.5149 10.5526 10.5526 10.5656 11.1717 11.1754 11.1878 11.1878 11.2529 11.2529 14.0991 14.0991 15.8802 15.8804 k = 0.7369 0.0748 0.2313 ( 2605 PWs) bands (ev): -5.0553 -5.0553 -3.0788 -3.0767 -3.0767 -3.0763 3.8216 3.8216 4.2560 4.2616 4.2728 4.2728 4.9755 4.9755 6.1123 6.1162 6.1278 6.1278 7.0198 7.0198 7.5106 7.5448 7.5448 7.5521 8.2343 8.2343 8.6597 8.6794 8.6794 8.7608 9.0050 9.0050 9.0238 9.0818 9.1297 9.1297 9.3575 9.3575 9.8201 9.8980 9.8980 9.9074 10.2629 10.2630 10.5283 10.5604 10.5604 10.5731 11.1249 11.1258 11.1588 11.1588 11.3006 11.3006 14.0975 14.0975 15.8021 15.8021 k = 0.7402 0.0801 0.2478 ( 2611 PWs) bands (ev): -5.0278 -5.0278 -3.0485 -3.0464 -3.0464 -3.0459 3.8169 3.8169 4.2816 4.2874 4.2986 4.2986 4.8795 4.8795 6.0363 6.0399 6.0510 6.0510 6.9779 6.9779 7.5279 7.5618 7.5618 7.5714 8.2507 8.2507 8.6552 8.6809 8.6809 8.7604 9.0160 9.0160 9.0329 9.0889 9.1377 9.1377 9.3480 9.3480 9.8312 9.9099 9.9099 9.9205 10.2550 10.2550 10.5395 10.5654 10.5654 10.5767 11.0784 11.0853 11.1170 11.1170 11.3669 11.3670 14.0938 14.0938 15.7110 15.7110 k = 0.7435 0.0854 0.2642 ( 2593 PWs) bands (ev): -4.9997 -4.9997 -3.0172 -3.0152 -3.0152 -3.0147 3.8069 3.8069 4.3075 4.3134 4.3246 4.3246 4.7900 4.7900 5.9599 5.9633 5.9738 5.9738 6.9368 6.9368 7.5455 7.5790 7.5790 7.5911 8.2662 8.2663 8.6508 8.6824 8.6824 8.7599 9.0276 9.0276 9.0426 9.0967 9.1454 9.1454 9.3408 9.3408 9.8422 9.9217 9.9217 9.9335 10.2464 10.2465 10.5479 10.5671 10.5671 10.5759 11.0367 11.0510 11.0781 11.0781 11.4368 11.4368 14.0882 14.0882 15.6099 15.6099 k = 0.7468 0.0907 0.2807 ( 2593 PWs) bands (ev): -4.9712 -4.9712 -2.9853 -2.9833 -2.9833 -2.9827 3.7896 3.7896 4.3335 4.3397 4.3508 4.3508 4.7086 4.7086 5.8833 5.8864 5.8965 5.8965 6.8963 6.8963 7.5632 7.5964 7.5964 7.6109 8.2807 8.2807 8.6464 8.6838 8.6838 8.7593 9.0396 9.0396 9.0526 9.1048 9.1525 9.1525 9.3355 9.3356 9.8530 9.9331 9.9331 9.9461 10.2371 10.2371 10.5530 10.5647 10.5647 10.5701 10.9999 11.0231 11.0440 11.0440 11.5082 11.5082 14.0809 14.0809 15.5014 15.5014 k = 0.7501 0.0961 0.2972 ( 2599 PWs) bands (ev): -4.9423 -4.9423 -2.9526 -2.9506 -2.9506 -2.9500 3.7637 3.7637 4.3596 4.3660 4.3771 4.3771 4.6374 4.6374 5.8067 5.8096 5.8193 5.8193 6.8566 6.8566 7.5811 7.6139 7.6139 7.6309 8.2940 8.2940 8.6420 8.6852 8.6852 8.7585 9.0518 9.0518 9.0629 9.1132 9.1593 9.1593 9.3322 9.3322 9.8633 9.9442 9.9442 9.9585 10.2270 10.2271 10.5541 10.5579 10.5579 10.5594 10.9686 11.0016 11.0155 11.0155 11.5805 11.5805 14.0720 14.0720 15.3881 15.3881 k = 0.7533 0.1014 0.3137 ( 2599 PWs) bands (ev): -4.9132 -4.9132 -2.9193 -2.9174 -2.9174 -2.9167 3.7280 3.7280 4.3856 4.3922 4.4032 4.4032 4.5778 4.5778 5.7306 5.7331 5.7425 5.7425 6.8177 6.8177 7.5993 7.6316 7.6316 7.6511 8.3062 8.3062 8.6380 8.6869 8.6869 8.7579 9.0643 9.0643 9.0735 9.1221 9.1659 9.1659 9.3306 9.3306 9.8733 9.9548 9.9549 9.9703 10.2162 10.2162 10.5442 10.5467 10.5467 10.5511 10.9430 10.9860 10.9926 10.9926 11.6535 11.6535 14.0616 14.0616 15.2721 15.2721 k = 0.7566 0.1067 0.3302 ( 2599 PWs) bands (ev): -4.8839 -4.8839 -2.8855 -2.8837 -2.8837 -2.8829 3.6819 3.6819 4.4113 4.4181 4.4290 4.4290 4.5305 4.5305 5.6551 5.6573 5.6664 5.6664 6.7796 6.7796 7.6175 7.6494 7.6494 7.6716 8.3172 8.3173 8.6342 8.6887 8.6887 8.7573 9.0769 9.0769 9.0843 9.1311 9.1723 9.1724 9.3306 9.3306 9.8828 9.9651 9.9651 9.9816 10.2045 10.2045 10.5257 10.5315 10.5315 10.5441 10.9228 10.9748 10.9748 10.9751 11.7269 11.7269 14.0499 14.0499 15.1554 15.1554 k = 0.7599 0.1120 0.3466 ( 2605 PWs) bands (ev): -4.8546 -4.8546 -2.8512 -2.8496 -2.8496 -2.8488 3.6259 3.6259 4.4366 4.4436 4.4542 4.4543 4.4955 4.4955 5.5806 5.5824 5.5914 5.5914 6.7424 6.7424 7.6359 7.6674 7.6674 7.6921 8.3271 8.3272 8.6306 8.6908 8.6908 8.7569 9.0896 9.0896 9.0953 9.1405 9.1786 9.1786 9.3321 9.3321 9.8916 9.9747 9.9747 9.9920 10.1919 10.1920 10.5048 10.5130 10.5130 10.5335 10.9073 10.9611 10.9611 10.9676 11.8002 11.8002 14.0372 14.0372 15.0396 15.0396 k = 0.7632 0.1174 0.3631 ( 2605 PWs) bands (ev): -4.8255 -4.8255 -2.8167 -2.8151 -2.8151 -2.8143 3.5614 3.5614 4.4613 4.4684 4.4693 4.4693 4.4809 4.4809 5.5075 5.5088 5.5178 5.5178 6.7061 6.7061 7.6544 7.6854 7.6854 7.7127 8.3359 8.3359 8.6275 8.6933 8.6933 8.7568 9.1023 9.1023 9.1064 9.1500 9.1849 9.1849 9.3350 9.3351 9.8997 9.9836 9.9836 10.0015 10.1786 10.1786 10.4829 10.4922 10.4923 10.5202 10.8955 10.9507 10.9507 10.9624 11.8731 11.8731 14.0235 14.0235 14.9259 14.9259 k = 0.7665 0.1227 0.3796 ( 2617 PWs) bands (ev): -4.7966 -4.7966 -2.7820 -2.7805 -2.7805 -2.7797 3.4904 3.4904 4.4554 4.4554 4.4851 4.4924 4.5037 4.5037 5.4360 5.4369 5.4459 5.4459 6.6707 6.6707 7.6729 7.7034 7.7034 7.7334 8.3435 8.3435 8.6246 8.6961 8.6961 8.7568 9.1149 9.1149 9.1176 9.1597 9.1909 9.1909 9.3390 9.3391 9.9068 9.9916 9.9916 10.0097 10.1644 10.1644 10.4609 10.4701 10.4701 10.5053 10.8863 10.9423 10.9423 10.9583 11.9454 11.9454 14.0092 14.0092 14.8156 14.8156 k = 0.7698 0.1280 0.3961 ( 2617 PWs) bands (ev): -4.7682 -4.7682 -2.7472 -2.7458 -2.7458 -2.7450 3.4149 3.4149 4.4477 4.4477 4.5077 4.5153 4.5263 4.5263 5.3667 5.3670 5.3762 5.3762 6.6363 6.6363 7.6915 7.7214 7.7214 7.7541 8.3501 8.3502 8.6222 8.6995 8.6995 8.7570 9.1276 9.1276 9.1290 9.1697 9.1969 9.1969 9.3443 9.3444 9.9129 9.9986 9.9986 10.0165 10.1495 10.1495 10.4400 10.4477 10.4477 10.4896 10.8785 10.9350 10.9350 10.9543 12.0166 12.0166 13.9944 13.9944 14.7097 14.7097 k = 0.7731 0.1334 0.4126 ( 2617 PWs) bands (ev): -4.7404 -4.7404 -2.7124 -2.7111 -2.7111 -2.7103 3.3366 3.3366 4.4457 4.4457 4.5289 4.5367 4.5475 4.5475 5.2996 5.2999 5.3090 5.3090 6.6029 6.6029 7.7100 7.7394 7.7394 7.7748 8.3557 8.3558 8.6203 8.7032 8.7032 8.7575 9.1402 9.1403 9.1405 9.1800 9.2026 9.2026 9.3506 9.3506 9.9178 10.0043 10.0044 10.0216 10.1338 10.1339 10.4207 10.4256 10.4256 10.4741 10.8712 10.9278 10.9278 10.9497 12.0863 12.0863 13.9795 13.9795 14.6090 14.6090 k = 0.7764 0.1387 0.4290 ( 2599 PWs) bands (ev): -4.7132 -4.7132 -2.6777 -2.6766 -2.6766 -2.6758 3.2574 3.2574 4.4480 4.4480 4.5483 4.5564 4.5670 4.5670 5.2353 5.2362 5.2451 5.2451 6.5706 6.5706 7.7285 7.7573 7.7573 7.7953 8.3605 8.3605 8.6190 8.7076 8.7076 8.7584 9.1521 9.1529 9.1529 9.1907 9.2082 9.2082 9.3578 9.3578 9.9215 10.0088 10.0088 10.0248 10.1177 10.1177 10.4037 10.4045 10.4045 10.4594 10.8637 10.9203 10.9203 10.9441 12.1541 12.1541 13.9646 13.9646 14.5142 14.5142 k = 0.7797 0.1440 0.4455 ( 2599 PWs) bands (ev): -4.6870 -4.6870 -2.6434 -2.6424 -2.6424 -2.6416 3.1783 3.1783 4.4533 4.4533 4.5653 4.5737 4.5840 4.5840 5.1745 5.1762 5.1848 5.1848 6.5393 6.5393 7.7468 7.7750 7.7750 7.8155 8.3643 8.3643 8.6180 8.7124 8.7124 8.7593 9.1638 9.1653 9.1653 9.2016 9.2134 9.2134 9.3656 9.3657 9.9237 10.0114 10.0114 10.0257 10.1010 10.1010 10.3846 10.3847 10.3890 10.4456 10.8554 10.9118 10.9118 10.9369 12.2194 12.2194 13.9500 13.9500 14.4261 14.4261 k = 0.7830 0.1493 0.4620 ( 2605 PWs) bands (ev): -4.6618 -4.6618 -2.6095 -2.6086 -2.6086 -2.6079 3.1005 3.1005 4.4608 4.4608 4.5794 4.5881 4.5981 4.5981 5.1181 5.1205 5.1290 5.1290 6.5089 6.5089 7.7648 7.7924 7.7924 7.8354 8.3672 8.3673 8.6175 8.7176 8.7176 8.7604 9.1756 9.1775 9.1775 9.2128 9.2183 9.2184 9.3741 9.3741 9.9242 10.0120 10.0120 10.0243 10.0839 10.0839 10.3664 10.3664 10.3769 10.4330 10.8461 10.9022 10.9022 10.9281 12.2815 12.2815 13.9361 13.9361 14.3452 14.3452 k = 0.7862 0.1547 0.4785 ( 2605 PWs) bands (ev): -4.6378 -4.6378 -2.5761 -2.5753 -2.5753 -2.5747 3.0249 3.0249 4.4699 4.4699 4.5899 4.5988 4.6084 4.6084 5.0669 5.0700 5.0785 5.0785 6.4796 6.4796 7.7825 7.8094 7.8094 7.8547 8.3695 8.3696 8.6177 8.7233 8.7233 8.7616 9.1874 9.1893 9.1893 9.2232 9.2232 9.2244 9.3829 9.3830 9.9233 10.0105 10.0105 10.0208 10.0667 10.0668 10.3497 10.3498 10.3670 10.4215 10.8358 10.8915 10.8915 10.9178 12.3399 12.3399 13.9230 13.9230 14.2719 14.2719 k = 0.7895 0.1600 0.4950 ( 2611 PWs) bands (ev): -4.6152 -4.6152 -2.5434 -2.5428 -2.5428 -2.5423 2.9522 2.9522 4.4798 4.4798 4.5959 4.6051 4.6141 4.6141 5.0218 5.0257 5.0344 5.0344 6.4515 6.4515 7.7997 7.8259 7.8259 7.8733 8.3712 8.3712 8.6183 8.7294 8.7295 8.7628 9.1993 9.2003 9.2003 9.2283 9.2284 9.2365 9.3923 9.3923 9.9207 10.0066 10.0066 10.0152 10.0498 10.0498 10.3345 10.3345 10.3588 10.4108 10.8248 10.8798 10.8798 10.9063 12.3939 12.3939 13.9109 13.9109 14.2066 14.2066 k = 0.7928 0.1653 0.5115 ( 2617 PWs) bands (ev): -4.5942 -4.5942 -2.5115 -2.5111 -2.5111 -2.5107 2.8828 2.8828 4.4902 4.4902 4.5967 4.6059 4.6144 4.6144 4.9839 4.9885 4.9976 4.9976 6.4244 6.4244 7.8163 7.8418 7.8419 7.8912 8.3724 8.3724 8.6198 8.7361 8.7361 8.7643 9.2099 9.2099 9.2113 9.2344 9.2344 9.2489 9.4012 9.4013 9.9167 10.0001 10.0001 10.0078 10.0333 10.0333 10.3203 10.3203 10.3516 10.4003 10.8137 10.8677 10.8677 10.8941 12.4426 12.4426 13.9001 13.9001 14.1494 14.1494 k = 0.7961 0.1706 0.5279 ( 2617 PWs) bands (ev): -4.5749 -4.5749 -2.4807 -2.4803 -2.4803 -2.4800 2.8174 2.8174 4.5007 4.5007 4.5917 4.6008 4.6088 4.6088 4.9539 4.9590 4.9687 4.9687 6.3984 6.3984 7.8324 7.8571 7.8571 7.9081 8.3730 8.3730 8.6220 8.7433 8.7433 8.7659 9.2173 9.2173 9.2233 9.2423 9.2423 9.2619 9.4100 9.4101 9.9112 9.9909 9.9910 9.9990 10.0178 10.0178 10.3064 10.3064 10.3445 10.3892 10.8032 10.8557 10.8557 10.8821 12.4852 12.4852 13.8909 13.8909 14.1006 14.1006 k = 0.7994 0.1760 0.5444 ( 2617 PWs) bands (ev): -4.5574 -4.5574 -2.4509 -2.4507 -2.4507 -2.4506 2.7563 2.7563 4.5109 4.5109 4.5811 4.5897 4.5974 4.5974 4.9319 4.9371 4.9477 4.9477 6.3736 6.3736 7.8476 7.8716 7.8716 7.9239 8.3733 8.3733 8.6251 8.7508 8.7509 8.7675 9.2222 9.2222 9.2355 9.2523 9.2523 9.2754 9.4184 9.4184 9.9043 9.9791 9.9792 9.9891 10.0036 10.0036 10.2922 10.2922 10.3364 10.3769 10.7943 10.8447 10.8447 10.8710 12.5210 12.5210 13.8833 13.8833 14.0601 14.0601 k = 0.8027 0.1813 0.5609 ( 2617 PWs) bands (ev): -4.5420 -4.5420 -2.4224 -2.4224 -2.4223 -2.4223 2.6999 2.6999 4.5204 4.5205 4.5658 4.5736 4.5815 4.5815 4.9170 4.9221 4.9336 4.9336 6.3499 6.3499 7.8620 7.8852 7.8852 7.9382 8.3733 8.3733 8.6290 8.7587 8.7588 8.7691 9.2252 9.2252 9.2477 9.2638 9.2638 9.2895 9.4260 9.4260 9.8962 9.9654 9.9655 9.9783 9.9904 9.9904 10.2767 10.2767 10.3263 10.3624 10.7880 10.8356 10.8356 10.8621 12.5490 12.5490 13.8776 13.8776 14.0280 14.0280 k = 0.8060 0.1866 0.5774 ( 2617 PWs) bands (ev): -4.5287 -4.5287 -2.3955 -2.3953 -2.3953 -2.3952 2.6485 2.6485 4.5284 4.5284 4.5472 4.5540 4.5633 4.5633 4.9078 4.9127 4.9251 4.9251 6.3274 6.3274 7.8754 7.8977 7.8977 7.9511 8.3731 8.3731 8.6339 8.7669 8.7669 8.7708 9.2270 9.2270 9.2599 9.2761 9.2762 9.3039 9.4326 9.4327 9.8868 9.9508 9.9509 9.9668 9.9776 9.9777 10.2592 10.2592 10.3133 10.3451 10.7853 10.8293 10.8293 10.8562 12.5685 12.5685 13.8739 13.8739 14.0039 14.0039 k = 0.8093 0.1920 0.5939 ( 2611 PWs) bands (ev): -4.5177 -4.5177 -2.3702 -2.3698 -2.3698 -2.3696 2.6024 2.6024 4.5270 4.5297 4.5297 4.5328 4.5494 4.5495 4.9026 4.9072 4.9204 4.9204 6.3060 6.3060 7.8877 7.9092 7.9092 7.9623 8.3727 8.3727 8.6397 8.7725 8.7752 8.7753 9.2279 9.2279 9.2722 9.2890 9.2891 9.3188 9.4380 9.4381 9.8763 9.9361 9.9362 9.9548 9.9649 9.9650 10.2393 10.2393 10.2970 10.3248 10.7869 10.8268 10.8268 10.8545 12.5787 12.5787 13.8723 13.8723 13.9877 13.9877 k = 0.8093 0.1920 0.5939 ( 2611 PWs) bands (ev): -4.5177 -4.5177 -2.3702 -2.3698 -2.3698 -2.3696 2.6024 2.6024 4.5270 4.5297 4.5297 4.5328 4.5494 4.5495 4.9026 4.9072 4.9204 4.9204 6.3060 6.3060 7.8877 7.9092 7.9092 7.9623 8.3727 8.3727 8.6397 8.7725 8.7752 8.7753 9.2279 9.2279 9.2722 9.2890 9.2891 9.3188 9.4380 9.4381 9.8763 9.9361 9.9362 9.9548 9.9649 9.9650 10.2393 10.2393 10.2970 10.3248 10.7869 10.8268 10.8268 10.8545 12.5787 12.5787 13.8723 13.8723 13.9877 13.9877 k = 0.7945 0.1947 0.6025 ( 2611 PWs) bands (ev): -4.5145 -4.5144 -2.3689 -2.3683 -2.3543 -2.3539 2.5883 2.5883 4.5009 4.5012 4.5222 4.5240 4.5695 4.5733 4.9010 4.9051 4.9205 4.9215 6.2989 6.2991 7.8827 7.9106 7.9187 7.9680 8.3703 8.3756 8.6421 8.7694 8.7796 8.7814 9.2276 9.2281 9.2767 9.2925 9.2950 9.3241 9.4396 9.4398 9.8709 9.9277 9.9304 9.9489 9.9629 9.9632 10.2303 10.2316 10.2896 10.3160 10.7901 10.8277 10.8288 10.8563 12.5797 12.5801 13.8563 13.8630 13.9718 13.9734 k = 0.7798 0.1975 0.6111 ( 2611 PWs) bands (ev): -4.5117 -4.5116 -2.3675 -2.3667 -2.3389 -2.3386 2.5764 2.5765 4.4670 4.4675 4.5104 4.5124 4.5978 4.6021 4.8987 4.9019 4.9241 4.9265 6.2922 6.2927 7.8704 7.9051 7.9330 7.9770 8.3688 8.3787 8.6449 8.7659 8.7849 8.7890 9.2269 9.2279 9.2816 9.2962 9.3011 9.3296 9.4413 9.4417 9.8632 9.9153 9.9233 9.9412 9.9631 9.9647 10.2206 10.2216 10.2802 10.3051 10.7964 10.8320 10.8330 10.8615 12.5791 12.5799 13.8280 13.8369 13.9487 13.9491 k = 0.7651 0.2003 0.6197 ( 2606 PWs) bands (ev): -4.5093 -4.5091 -2.3659 -2.3650 -2.3240 -2.3237 2.5666 2.5667 4.4314 4.4323 4.4993 4.5014 4.6233 4.6278 4.8957 4.8983 4.9318 4.9353 6.2861 6.2867 7.8566 7.8955 7.9470 7.9872 8.3678 8.3815 8.6482 8.7628 8.7912 8.7971 9.2262 9.2274 9.2869 9.3002 9.3072 9.3352 9.4429 9.4435 9.8538 9.9015 9.9156 9.9334 9.9644 9.9658 10.2099 10.2105 10.2693 10.2928 10.8048 10.8385 10.8399 10.8700 12.5774 12.5786 13.7955 13.8047 13.9245 13.9246 k = 0.7504 0.2031 0.6283 ( 2600 PWs) bands (ev): -4.5073 -4.5070 -2.3641 -2.3631 -2.3096 -2.3093 2.5589 2.5591 4.3949 4.3959 4.4888 4.4908 4.6448 4.6496 4.8923 4.8945 4.9436 4.9479 6.2803 6.2811 7.8425 7.8837 7.9598 7.9970 8.3666 8.3835 8.6521 8.7602 8.7983 8.8055 9.2257 9.2269 9.2923 9.3042 9.3133 9.3408 9.4445 9.4452 9.8432 9.8869 9.9077 9.9255 9.9657 9.9660 10.1968 10.2003 10.2574 10.2798 10.8142 10.8448 10.8510 10.8815 12.5746 12.5762 13.7613 13.7702 13.9008 13.9008 k = 0.7356 0.2059 0.6369 ( 2599 PWs) bands (ev): -4.5056 -4.5052 -2.3622 -2.3611 -2.2958 -2.2955 2.5532 2.5534 4.3578 4.3589 4.4789 4.4808 4.6621 4.6670 4.8890 4.8909 4.9594 4.9641 6.2750 6.2759 7.8285 7.8709 7.9712 8.0060 8.3648 8.3846 8.6566 8.7582 8.8059 8.8140 9.2253 9.2262 9.2977 9.3083 9.3192 9.3464 9.4460 9.4467 9.8317 9.8719 9.8998 9.9178 9.9641 9.9672 10.1829 10.1904 10.2451 10.2666 10.8243 10.8518 10.8645 10.8949 12.5711 12.5730 13.7265 13.7348 13.8779 13.8780 k = 0.7209 0.2086 0.6455 ( 2602 PWs) bands (ev): -4.5042 -4.5038 -2.3602 -2.3590 -2.2826 -2.2822 2.5494 2.5497 4.3203 4.3215 4.4696 4.4714 4.6753 4.6802 4.8857 4.8874 4.9787 4.9837 6.2701 6.2710 7.8151 7.8577 7.9814 8.0138 8.3624 8.3844 8.6615 8.7567 8.8139 8.8225 9.2252 9.2258 9.3031 9.3123 9.3249 9.3519 9.4473 9.4480 9.8197 9.8566 9.8921 9.9104 9.9611 9.9677 10.1688 10.1810 10.2328 10.2538 10.8349 10.8597 10.8794 10.9092 12.5670 12.5693 13.6916 13.6992 13.8560 13.8561 k = 0.7062 0.2114 0.6541 ( 2596 PWs) bands (ev): -4.5031 -4.5026 -2.3581 -2.3569 -2.2699 -2.2696 2.5475 2.5479 4.2827 4.2840 4.4610 4.4626 4.6848 4.6895 4.8826 4.8841 5.0009 5.0059 6.2655 6.2666 7.8024 7.8447 7.9904 8.0206 8.3592 8.3831 8.6671 8.7558 8.8221 8.8309 9.2256 9.2257 9.3085 9.3163 9.3305 9.3574 9.4485 9.4490 9.8073 9.8413 9.8848 9.9033 9.9569 9.9675 10.1550 10.1722 10.2210 10.2417 10.8460 10.8683 10.8949 10.9237 12.5627 12.5653 13.6571 13.6640 13.8352 13.8353 k = 0.6915 0.2142 0.6627 ( 2594 PWs) bands (ev): -4.5022 -4.5017 -2.3560 -2.3547 -2.2580 -2.2577 2.5473 2.5477 4.2453 4.2466 4.4529 4.4544 4.6913 4.6957 4.8796 4.8810 5.0251 5.0300 6.2614 6.2624 7.7908 7.8322 7.9982 8.0262 8.3552 8.3805 8.6731 8.7554 8.8303 8.8391 9.2257 9.2265 9.3138 9.3201 9.3357 9.3626 9.4494 9.4497 9.7946 9.8259 9.8778 9.8964 9.9516 9.9662 10.1422 10.1643 10.2099 10.2303 10.8577 10.8776 10.9102 10.9376 12.5582 12.5612 13.6234 13.6296 13.8153 13.8155 k = 0.6767 0.2170 0.6713 ( 2596 PWs) bands (ev): -4.5015 -4.5010 -2.3538 -2.3525 -2.2468 -2.2464 2.5486 2.5490 4.2085 4.2097 4.4455 4.4468 4.6954 4.6994 4.8769 4.8781 5.0503 5.0550 6.2576 6.2586 7.7802 7.8203 8.0050 8.0308 8.3505 8.3767 8.6794 8.7553 8.8383 8.8468 9.2263 9.2279 9.3189 9.3238 9.3407 9.3676 9.4500 9.4501 9.7818 9.8105 9.8714 9.8899 9.9455 9.9638 10.1306 10.1569 10.1997 10.2198 10.8698 10.8874 10.9247 10.9507 12.5539 12.5571 13.5909 13.5965 13.7964 13.7967 k = 0.6620 0.2198 0.6799 ( 2598 PWs) bands (ev): -4.5010 -4.5006 -2.3516 -2.3503 -2.2363 -2.2360 2.5513 2.5517 4.1724 4.1737 4.4387 4.4399 4.6976 4.7013 4.8743 4.8754 5.0758 5.0802 6.2541 6.2552 7.7709 7.8092 8.0108 8.0344 8.3453 8.3719 8.6860 8.7555 8.8459 8.8540 9.2274 9.2297 9.3237 9.3272 9.3454 9.3724 9.4502 9.4504 9.7691 9.7954 9.8654 9.8838 9.9391 9.9605 10.1206 10.1503 10.1906 10.2102 10.8821 10.8975 10.9381 10.9624 12.5498 12.5532 13.5599 13.5649 13.7786 13.7788 k = 0.6473 0.2226 0.6885 ( 2600 PWs) bands (ev): -4.5007 -4.5003 -2.3494 -2.3482 -2.2266 -2.2263 2.5551 2.5555 4.1377 4.1389 4.4325 4.4336 4.6986 4.7019 4.8719 4.8730 5.1009 5.1050 6.2510 6.2521 7.7628 7.7990 8.0157 8.0372 8.3397 8.3662 8.6926 8.7559 8.8531 8.8607 9.2290 9.2321 9.3281 9.3303 9.3500 9.3767 9.4500 9.4506 9.7567 9.7806 9.8599 9.8779 9.9328 9.9563 10.1123 10.1440 10.1828 10.2016 10.8944 10.9078 10.9503 10.9728 12.5461 12.5496 13.5307 13.5351 13.7617 13.7620 k = 0.6325 0.2253 0.6971 ( 2598 PWs) bands (ev): -4.5005 -4.5001 -2.3474 -2.3462 -2.2177 -2.2175 2.5598 2.5602 4.1045 4.1057 4.4269 4.4279 4.6987 4.7016 4.8698 4.8708 5.1250 5.1287 6.2482 6.2493 7.7559 7.7898 8.0200 8.0392 8.3340 8.3598 8.6993 8.7563 8.8597 8.8666 9.2312 9.2349 9.3321 9.3332 9.3543 9.3806 9.4497 9.4506 9.7447 9.7663 9.8550 9.8722 9.9268 9.9514 10.1057 10.1381 10.1763 10.1939 10.9064 10.9180 10.9610 10.9817 12.5429 12.5464 13.5036 13.5075 13.7458 13.7461 k = 0.6178 0.2281 0.7058 ( 2594 PWs) bands (ev): -4.5004 -4.5000 -2.3454 -2.3443 -2.2097 -2.2095 2.5652 2.5656 4.0733 4.0744 4.4220 4.4229 4.6983 4.7008 4.8679 4.8688 5.1476 5.1510 6.2458 6.2468 7.7504 7.7815 8.0236 8.0406 8.3284 8.3530 8.7058 8.7566 8.8657 8.8719 9.2339 9.2381 9.3354 9.3358 9.3585 9.3839 9.4492 9.4504 9.7334 9.7527 9.8506 9.8669 9.9214 9.9461 10.1007 10.1325 10.1710 10.1872 10.9180 10.9278 10.9705 10.9891 12.5402 12.5437 13.4788 13.4823 13.7310 13.7313 k = 0.6031 0.2309 0.7144 ( 2592 PWs) bands (ev): -4.5004 -4.5000 -2.3435 -2.3425 -2.2025 -2.2023 2.5708 2.5712 4.0445 4.0455 4.4177 4.4184 4.6975 4.6997 4.8663 4.8670 5.1684 5.1713 6.2437 6.2446 7.7461 7.7742 8.0266 8.0415 8.3231 8.3460 8.7122 8.7567 8.8710 8.8765 9.2369 9.2415 9.3378 9.3382 9.3627 9.3867 9.4486 9.4501 9.7229 9.7399 9.8467 9.8617 9.9169 9.9406 10.0971 10.1270 10.1669 10.1813 10.9288 10.9370 10.9786 10.9951 12.5381 12.5414 13.4566 13.4596 13.7174 13.7176 k = 0.5884 0.2337 0.7230 ( 2596 PWs) bands (ev): -4.5005 -4.5001 -2.3419 -2.3410 -2.1963 -2.1961 2.5766 2.5770 4.0185 4.0194 4.4139 4.4146 4.6965 4.6983 4.8648 4.8655 5.1870 5.1895 6.2419 6.2427 7.7429 7.7677 8.0291 8.0418 8.3183 8.3390 8.7182 8.7565 8.8755 8.8802 9.2403 9.2449 9.3396 9.3402 9.3667 9.3888 9.4479 9.4496 9.7134 9.7281 9.8434 9.8568 9.9133 9.9351 10.0947 10.1218 10.1637 10.1762 10.9387 10.9455 10.9854 10.9998 12.5365 12.5396 13.4372 13.4397 13.7051 13.7053 k = 0.5736 0.2365 0.7316 ( 2596 PWs) bands (ev): -4.5005 -4.5002 -2.3404 -2.3396 -2.1910 -2.1908 2.5821 2.5824 3.9957 3.9965 4.4108 4.4113 4.6955 4.6970 4.8636 4.8641 5.2032 5.2053 6.2404 6.2411 7.7407 7.7619 8.0313 8.0419 8.3142 8.3323 8.7239 8.7559 8.8794 8.8833 9.2438 9.2483 9.3409 9.3416 9.3706 9.3902 9.4474 9.4491 9.7052 9.7176 9.8407 9.8521 9.9107 9.9298 10.0935 10.1170 10.1615 10.1719 10.9474 10.9529 10.9912 11.0033 12.5353 12.5381 13.4205 13.4226 13.6943 13.6944 k = 0.5589 0.2393 0.7402 ( 2594 PWs) bands (ev): -4.5006 -4.5004 -2.3391 -2.3385 -2.1866 -2.1865 2.5871 2.5874 3.9765 3.9771 4.4083 4.4087 4.6946 4.6958 4.8626 4.8631 5.2167 5.2184 6.2392 6.2398 7.7396 7.7569 8.0332 8.0417 8.3111 8.3260 8.7293 8.7549 8.8826 8.8858 9.2472 9.2513 9.3418 9.3424 9.3744 9.3909 9.4469 9.4485 9.6985 9.7085 9.8386 9.8480 9.9091 9.9250 10.0931 10.1125 10.1600 10.1682 10.9549 10.9591 10.9960 11.0058 12.5347 12.5370 13.4068 13.4085 13.6852 13.6852 k = 0.5442 0.2420 0.7488 ( 2596 PWs) bands (ev): -4.5007 -4.5005 -2.3381 -2.3377 -2.1832 -2.1831 2.5913 2.5916 3.9611 3.9616 4.4063 4.4066 4.6939 4.6948 4.8619 4.8622 5.2275 5.2288 6.2383 6.2387 7.7394 7.7526 8.0348 8.0411 8.3089 8.3204 8.7342 8.7535 8.8852 8.8875 9.2504 9.2538 9.3424 9.3428 9.3780 9.3908 9.4466 9.4480 9.6934 9.7010 9.8372 9.8443 9.9084 9.9207 10.0936 10.1084 10.1591 10.1652 10.9609 10.9640 10.9999 11.0073 12.5343 12.5361 13.3961 13.3974 13.6778 13.6779 k = 0.5295 0.2448 0.7574 ( 2594 PWs) bands (ev): -4.5007 -4.5006 -2.3374 -2.3371 -2.1807 -2.1806 2.5945 2.5947 3.9500 3.9503 4.4049 4.4051 4.6933 4.6939 4.8613 4.8616 5.2353 5.2362 6.2377 6.2380 7.7400 7.7489 8.0363 8.0405 8.3079 8.3157 8.7387 8.7516 8.8871 8.8887 9.2531 9.2555 9.3428 9.3430 9.3814 9.3901 9.4465 9.4475 9.6901 9.6951 9.8364 9.8413 9.9086 9.9170 10.0947 10.1047 10.1588 10.1629 10.9654 10.9674 11.0030 11.0080 12.5342 12.5354 13.3885 13.3894 13.6724 13.6725 k = 0.5147 0.2476 0.7660 ( 2598 PWs) bands (ev): -4.5007 -4.5007 -2.3369 -2.3367 -2.1792 -2.1792 2.5965 2.5966 3.9432 3.9434 4.4041 4.4042 4.6930 4.6933 4.8610 4.8612 5.2401 5.2405 6.2373 6.2375 7.7413 7.7457 8.0375 8.0396 8.3080 8.3120 8.7427 8.7492 8.8884 8.8892 9.2551 9.2563 9.3429 9.3430 9.3843 9.3887 9.4465 9.4470 9.6885 9.6911 9.8365 9.8389 9.9096 9.9138 10.0964 10.1014 10.1590 10.1610 10.9683 10.9693 11.0054 11.0078 12.5343 12.5349 13.3841 13.3845 13.6692 13.6692 k = 0.5000 0.2504 0.7746 ( 2594 PWs) bands (ev): -4.5007 -4.5007 -2.3367 -2.3367 -2.1787 -2.1787 2.5973 2.5973 3.9410 3.9410 4.4039 4.4039 4.6931 4.6931 4.8610 4.8610 5.2419 5.2419 6.2373 6.2373 7.7432 7.7432 8.0386 8.0386 8.3095 8.3095 8.7462 8.7462 8.8891 8.8891 9.2562 9.2562 9.3430 9.3430 9.3868 9.3868 9.4467 9.4467 9.6889 9.6889 9.8373 9.8373 9.9113 9.9113 10.0987 10.0987 10.1598 10.1598 10.9696 10.9696 11.0070 11.0070 12.5346 12.5346 13.3827 13.3827 13.6681 13.6681 k = 0.5000 0.2504 0.7746 ( 2594 PWs) bands (ev): -4.5007 -4.5007 -2.3367 -2.3367 -2.1787 -2.1787 2.5973 2.5973 3.9410 3.9410 4.4039 4.4039 4.6931 4.6931 4.8610 4.8610 5.2419 5.2419 6.2373 6.2373 7.7432 7.7432 8.0386 8.0386 8.3095 8.3095 8.7462 8.7462 8.8891 8.8891 9.2562 9.2562 9.3430 9.3430 9.3868 9.3868 9.4467 9.4467 9.6889 9.6889 9.8373 9.8373 9.9113 9.9113 10.0987 10.0987 10.1598 10.1598 10.9696 10.9696 11.0070 11.0070 12.5346 12.5346 13.3827 13.3827 13.6681 13.6681 k = 0.5000 0.2334 0.7801 ( 2596 PWs) bands (ev): -4.5006 -4.5004 -2.3368 -2.3367 -2.1793 -2.1790 2.5977 2.5979 3.9420 3.9423 4.4047 4.4050 4.6918 4.6921 4.8597 4.8604 5.2409 5.2411 6.2386 6.2392 7.7405 7.7433 8.0238 8.0389 8.3097 8.3222 8.7441 8.7490 8.8886 8.8908 9.2548 9.2567 9.3412 9.3442 9.3854 9.3884 9.4442 9.4491 9.6849 9.6887 9.8348 9.8408 9.9093 9.9158 10.0916 10.1055 10.1529 10.1667 10.9708 10.9727 11.0055 11.0090 12.5332 12.5342 13.3837 13.3853 13.6649 13.6671 k = 0.5000 0.2165 0.7856 ( 2592 PWs) bands (ev): -4.4999 -4.4995 -2.3372 -2.3369 -2.1809 -2.1803 2.5993 2.5998 3.9451 3.9457 4.4075 4.4082 4.6883 4.6890 4.8565 4.8578 5.2384 5.2388 6.2432 6.2444 7.7354 7.7408 7.9980 8.0249 8.3227 8.3446 8.7427 8.7525 8.8893 8.8938 9.2527 9.2562 9.3387 9.3444 9.3844 9.3902 9.4416 9.4515 9.6776 9.6843 9.8333 9.8448 9.9101 9.9222 10.0841 10.1121 10.1466 10.1737 10.9757 10.9801 11.0043 11.0124 12.5303 12.5321 13.3883 13.3913 13.6577 13.6623 k = 0.5000 0.1995 0.7910 ( 2592 PWs) bands (ev): -4.4988 -4.4982 -2.3378 -2.3374 -2.1834 -2.1825 2.6020 2.6027 3.9504 3.9513 4.4121 4.4132 4.6828 4.6838 4.8515 4.8534 5.2343 5.2348 6.2508 6.2527 7.7277 7.7357 7.9654 8.0001 8.3448 8.3725 8.7421 8.7569 8.8909 8.8980 9.2498 9.2546 9.3360 9.3435 9.3839 9.3919 9.4389 9.4536 9.6678 9.6762 9.8315 9.8488 9.9135 9.9305 10.0760 10.1178 10.1423 10.1808 10.9825 10.9915 11.0032 11.0188 12.5258 12.5286 13.3964 13.4005 13.6467 13.6539 k = 0.5000 0.1826 0.7965 ( 2592 PWs) bands (ev): -4.4972 -4.4965 -2.3386 -2.3380 -2.1869 -2.1856 2.6059 2.6068 3.9577 3.9589 4.4185 4.4199 4.6754 4.6768 4.8446 4.8471 5.2287 5.2294 6.2615 6.2639 7.7176 7.7279 7.9289 7.9689 8.3718 8.4030 8.7420 8.7620 8.8935 8.9035 9.2462 9.2518 9.3330 9.3415 9.3838 9.3935 9.4361 9.4557 9.6563 9.6654 9.8281 9.8527 9.9185 9.9403 10.0674 10.1205 10.1431 10.1885 10.9882 11.0009 11.0078 11.0304 12.5201 12.5238 13.4077 13.4123 13.6326 13.6428 k = 0.5000 0.1657 0.8020 ( 2602 PWs) bands (ev): -4.4952 -4.4942 -2.3395 -2.3389 -2.1912 -2.1897 2.6108 2.6119 3.9671 3.9686 4.4264 4.4281 4.6665 4.6681 4.8360 4.8390 5.2218 5.2226 6.2749 6.2779 7.7052 7.7176 7.8906 7.9341 8.4006 8.4342 8.7425 8.7678 8.8965 8.9098 9.2415 9.2481 9.3298 9.3387 9.3841 9.3948 9.4332 9.4575 9.6435 9.6533 9.8226 9.8559 9.9236 9.9512 10.0588 10.1193 10.1506 10.1973 10.9911 10.9997 11.0263 11.0478 12.5134 12.5180 13.4214 13.4258 13.6165 13.6304 k = 0.5000 0.1487 0.8075 ( 2602 PWs) bands (ev): -4.4927 -4.4916 -2.3407 -2.3399 -2.1963 -2.1946 2.6168 2.6181 3.9784 3.9802 4.4355 4.4377 4.6563 4.6582 4.8258 4.8293 5.2137 5.2146 6.2910 6.2944 7.6905 7.7048 7.8517 7.8977 8.4295 8.4653 8.7435 8.7745 8.9000 8.9169 9.2357 9.2441 9.3263 9.3354 9.3846 9.3960 9.4303 9.4592 9.6297 9.6409 9.8156 9.8578 9.9273 9.9622 10.0513 10.1175 10.1626 10.2077 10.9917 10.9979 11.0479 11.0697 12.5062 12.5118 13.4363 13.4392 13.6004 13.6191 k = 0.5000 0.1318 0.8129 ( 2602 PWs) bands (ev): -4.4898 -4.4885 -2.3420 -2.3412 -2.2023 -2.2002 2.6238 2.6254 3.9915 3.9936 4.4454 4.4481 4.6452 4.6475 4.8142 4.8182 5.2046 5.2056 6.3093 6.3132 7.6737 7.6897 7.8132 7.8610 8.4574 8.4955 8.7449 8.7820 8.9037 8.9246 9.2284 9.2400 9.3221 9.3320 9.3852 9.3968 9.4274 9.4607 9.6151 9.6287 9.8072 9.8579 9.9280 9.9715 10.0470 10.1171 10.1777 10.2201 10.9907 10.9957 11.0714 11.0943 12.4990 12.5056 13.4487 13.4505 13.5879 13.6127 k = 0.5000 0.1148 0.8184 ( 2610 PWs) bands (ev): -4.4865 -4.4850 -2.3435 -2.3426 -2.2089 -2.2067 2.6318 2.6336 4.0061 4.0084 4.4556 4.4589 4.6337 4.6363 4.8016 4.8061 5.1946 5.1957 6.3296 6.3340 7.6547 7.6722 7.7757 7.8247 8.4836 8.5243 8.7467 8.7900 8.9071 8.9323 9.2198 9.2359 9.3169 9.3290 9.3856 9.3972 9.4244 9.4619 9.6002 9.6171 9.7979 9.8560 9.9243 9.9763 10.0487 10.1192 10.1952 10.2347 10.9883 10.9931 11.0956 11.1201 12.4924 12.5000 13.4526 13.4573 13.5847 13.6156 k = 0.5000 0.0979 0.8239 ( 2610 PWs) bands (ev): -4.4828 -4.4811 -2.3452 -2.3441 -2.2162 -2.2138 2.6408 2.6428 4.0219 4.0245 4.4655 4.4695 4.6224 4.6254 4.7885 4.7933 5.1839 5.1851 6.3518 6.3565 7.6338 7.6527 7.7395 7.7893 8.5079 8.5514 8.7487 8.7986 8.9100 8.9397 9.2103 9.2319 9.3108 9.3265 9.3857 9.3975 9.4214 9.4628 9.5853 9.6060 9.7881 9.8523 9.9163 9.9752 10.0581 10.1248 10.2148 10.2517 10.9849 10.9900 11.1195 11.1457 12.4871 12.4957 13.4481 13.4546 13.5955 13.6304 k = 0.5000 0.0809 0.8294 ( 2612 PWs) bands (ev): -4.4787 -4.4770 -2.3470 -2.3459 -2.2242 -2.2215 2.6508 2.6529 4.0386 4.0413 4.4741 4.4791 4.6118 4.6152 4.7757 4.7808 5.1727 5.1740 6.3754 6.3805 7.6110 7.6314 7.7049 7.7551 8.5301 8.5767 8.7509 8.8076 8.9122 8.9465 9.2004 9.2280 9.3039 9.3242 9.3854 9.3975 9.4185 9.4634 9.5707 9.5956 9.7780 9.8468 9.9044 9.9688 10.0734 10.1339 10.2357 10.2711 10.9807 10.9864 11.1417 11.1696 12.4837 12.4933 13.4379 13.4446 13.6190 13.6556 k = 0.5000 0.0640 0.8349 ( 2616 PWs) bands (ev): -4.4744 -4.4725 -2.3489 -2.3477 -2.2326 -2.2297 2.6616 2.6639 4.0555 4.0585 4.4804 4.4864 4.6026 4.6065 4.7642 4.7694 5.1611 5.1624 6.4003 6.4056 7.5867 7.6087 7.6719 7.7221 8.5503 8.5998 8.7531 8.8167 8.9131 8.9522 9.1904 9.2241 9.2967 9.3220 9.3844 9.3973 9.4157 9.4635 9.5567 9.5857 9.7680 9.8397 9.8900 9.9587 10.0926 10.1466 10.2575 10.2927 10.9758 10.9821 11.1609 11.1906 12.4828 12.4934 13.4260 13.4326 13.6511 13.6884 k = 0.5000 0.0470 0.8403 ( 2620 PWs) bands (ev): -4.4697 -4.4677 -2.3509 -2.3497 -2.2415 -2.2385 2.6733 2.6758 4.0721 4.0752 4.4834 4.4903 4.5955 4.5997 4.7553 4.7606 5.1493 5.1506 6.4261 6.4317 7.5614 7.5851 7.6403 7.6904 8.5683 8.6206 8.7554 8.8257 8.9128 8.9567 9.1808 9.2203 9.2893 9.3198 9.3828 9.3968 9.4128 9.4631 9.5433 9.5764 9.7581 9.8312 9.8742 9.9461 10.1142 10.1626 10.2798 10.3161 10.9704 10.9773 11.1762 11.2075 12.4849 12.4964 13.4158 13.4227 13.6888 13.7266 k = 0.5000 0.0301 0.8458 ( 2618 PWs) bands (ev): -4.4648 -4.4627 -2.3531 -2.3518 -2.2508 -2.2476 2.6859 2.6885 4.0877 4.0908 4.4817 4.4894 4.5913 4.5956 4.7504 4.7554 5.1374 5.1387 6.4528 6.4586 7.5354 7.5609 7.6100 7.6597 8.5844 8.6388 8.7576 8.8342 8.9113 8.9598 9.1721 9.2167 9.2821 9.3174 9.3806 9.3960 9.4100 9.4619 9.5308 9.5677 9.7486 9.8213 9.8582 9.9318 10.1374 10.1815 10.3023 10.3409 10.9647 10.9720 11.1865 11.2193 12.4900 12.5025 13.4099 13.4176 13.7305 13.7688 k = 0.5000 0.0132 0.8513 ( 2610 PWs) bands (ev): -4.4597 -4.4575 -2.3553 -2.3540 -2.2603 -2.2570 2.6992 2.7020 4.1014 4.1046 4.4748 4.4826 4.5909 4.5948 4.7504 4.7550 5.1255 5.1269 6.4800 6.4860 7.5094 7.5364 7.5807 7.6299 8.5985 8.6541 8.7598 8.8417 8.9092 8.9616 9.1646 9.2131 9.2751 9.3148 9.3781 9.3948 9.4074 9.4601 9.5192 9.5596 9.7396 9.8099 9.8430 9.9162 10.1617 10.2031 10.3247 10.3666 10.9587 10.9665 11.1912 11.2255 12.4981 12.5113 13.4106 13.4192 13.7751 13.8137 k = 0.5000-0.0038 0.8568 ( 2608 PWs) bands (ev): -4.4544 -4.4522 -2.3576 -2.3562 -2.2700 -2.2667 2.7133 2.7162 4.1125 4.1157 4.4620 4.4697 4.5949 4.5985 4.7554 4.7596 5.1137 5.1151 6.5075 6.5137 7.4836 7.5120 7.5520 7.6008 8.6104 8.6657 8.7622 8.8473 8.9074 8.9622 9.1584 9.2097 9.2686 9.3119 9.3750 9.3928 9.4049 9.4574 9.5084 9.5518 9.7312 9.7969 9.8294 9.8999 10.1866 10.2269 10.3469 10.3926 10.9525 10.9608 11.1902 11.2257 12.5085 12.5223 13.4194 13.4292 13.8218 13.8607 k = 0.5000-0.0207 0.8622 ( 2610 PWs) bands (ev): -4.4490 -4.4468 -2.3599 -2.3585 -2.2798 -2.2764 2.7281 2.7311 4.1204 4.1235 4.4437 4.4511 4.6039 4.6076 4.7649 4.7687 5.1021 5.1036 6.5352 6.5414 7.4585 7.4880 7.5238 7.5720 8.6198 8.6727 8.7651 8.8499 8.9075 8.9621 9.1535 9.2061 9.2626 9.3085 9.3717 9.3900 9.4025 9.4539 9.4984 9.5446 9.7234 9.7827 9.8174 9.8832 10.2123 10.2527 10.3686 10.4183 10.9465 10.9552 11.1835 11.2201 12.5204 12.5345 13.4376 13.4488 13.8701 13.9091 k = 0.5000-0.0377 0.8677 ( 2620 PWs) bands (ev): -4.4436 -4.4413 -2.3622 -2.3609 -2.2896 -2.2863 2.7436 2.7466 4.1248 4.1279 4.4206 4.4277 4.6182 4.6224 4.7779 4.7814 5.0908 5.0924 6.5628 6.5691 7.4342 7.4644 7.4960 7.5436 8.6262 8.6741 8.7693 8.8493 8.9105 8.9621 9.1498 9.2024 9.2571 9.3045 9.3681 9.3861 9.4003 9.4496 9.4892 9.5376 9.7162 9.7680 9.8068 9.8665 10.2384 10.2800 10.3898 10.4433 10.9406 10.9498 11.1718 11.2092 12.5327 12.5471 13.4662 13.4787 13.9194 13.9583 k = 0.5000-0.0546 0.8732 ( 2622 PWs) bands (ev): -4.4381 -4.4358 -2.3645 -2.3632 -2.2994 -2.2960 2.7596 2.7627 4.1259 4.1289 4.3938 4.4006 4.6377 4.6426 4.7934 4.7968 5.0799 5.0816 6.5901 6.5965 7.4108 7.4415 7.4686 7.5156 8.6291 8.6695 8.7753 8.8467 8.9165 8.9627 9.1472 9.1987 9.2522 9.3000 9.3642 9.3813 9.3985 9.4447 9.4807 9.5309 9.7096 9.7536 9.7974 9.8500 10.2651 10.3084 10.4103 10.4673 10.9350 10.9448 11.1556 11.1937 12.5445 12.5589 13.5055 13.5193 13.9692 14.0077 k = 0.5000-0.0716 0.8787 ( 2624 PWs) bands (ev): -4.4326 -4.4304 -2.3669 -2.3656 -2.3090 -2.3057 2.7761 2.7793 4.1239 4.1269 4.3643 4.3709 4.6619 4.6676 4.8106 4.8138 5.0696 5.0713 6.6171 6.6235 7.3885 7.4193 7.4416 7.4879 8.6279 8.6592 8.7829 8.8438 8.9245 8.9646 9.1456 9.1947 9.2476 9.2950 9.3600 9.3754 9.3969 9.4395 9.4728 9.5245 9.7037 9.7400 9.7888 9.8341 10.2922 10.3375 10.4299 10.4899 10.9298 10.9404 11.1360 11.1745 12.5551 12.5692 13.5554 13.5704 14.0189 14.0569 k = 0.5000-0.0885 0.8842 ( 2624 PWs) bands (ev): -4.4273 -4.4251 -2.3691 -2.3679 -2.3184 -2.3151 2.7930 2.7962 4.1194 4.1223 4.3331 4.3394 4.6900 4.6964 4.8285 4.8320 5.0597 5.0616 6.6436 6.6500 7.3671 7.3978 7.4152 7.4606 8.6219 8.6443 8.7917 8.8423 8.9338 8.9678 9.1446 9.1905 9.2431 9.2894 9.3550 9.3686 9.3956 9.4343 9.4656 9.5181 9.6983 9.7275 9.7810 9.8190 10.3197 10.3670 10.4485 10.5108 10.9250 10.9366 11.1138 11.1526 12.5639 12.5777 13.6151 13.6311 14.0681 14.1052 k = 0.5000-0.1055 0.8896 ( 2632 PWs) bands (ev): -4.4220 -4.4199 -2.3713 -2.3701 -2.3274 -2.3242 2.8102 2.8134 4.1130 4.1159 4.3008 4.3069 4.7210 4.7281 4.8468 4.8505 5.0505 5.0525 6.6693 6.6757 7.3468 7.3770 7.3894 7.4338 8.6109 8.6264 8.8013 8.8427 8.9440 8.9725 9.1440 9.1862 9.2387 9.2833 9.3489 9.3609 9.3946 9.4292 9.4590 9.5117 9.6934 9.7163 9.7738 9.8049 10.3473 10.3965 10.4660 10.5298 10.9208 10.9337 11.0901 11.1288 12.5710 12.5842 13.6834 13.7004 14.1163 14.1523 k = 0.5000-0.1224 0.8951 ( 2630 PWs) bands (ev): -4.4170 -4.4149 -2.3734 -2.3723 -2.3360 -2.3330 2.8275 2.8306 4.1054 4.1081 4.2682 4.2740 4.7539 4.7617 4.8649 4.8691 5.0420 5.0442 6.6943 6.7006 7.3274 7.3568 7.3646 7.4076 8.5950 8.6071 8.8114 8.8455 8.9547 8.9786 9.1437 9.1817 9.2342 9.2768 9.3411 9.3530 9.3939 9.4245 9.4532 9.5053 9.6890 9.7065 9.7673 9.7922 10.3749 10.4257 10.4824 10.5467 10.9170 10.9315 11.0656 11.1041 12.5764 12.5889 13.7590 13.7766 14.1631 14.1977 k = 0.5000-0.1394 0.9006 ( 2636 PWs) bands (ev): -4.4121 -4.4102 -2.3755 -2.3744 -2.3441 -2.3413 2.8447 2.8478 4.0970 4.0995 4.2358 4.2414 4.7877 4.7960 4.8826 4.8873 5.0344 5.0368 6.7181 6.7243 7.3090 7.3365 7.3416 7.3821 8.5752 8.5874 8.8218 8.8504 8.9657 8.9856 9.1437 9.1773 9.2295 9.2699 9.3314 9.3449 9.3936 9.4201 9.4483 9.4988 9.6850 9.6979 9.7613 9.7806 10.4023 10.4540 10.4977 10.5615 10.9137 10.9300 11.0412 11.0791 12.5802 12.5919 13.8399 13.8579 14.2079 14.2408 k = 0.5000-0.1563 0.9061 ( 2640 PWs) bands (ev): -4.4076 -4.4058 -2.3773 -2.3763 -2.3517 -2.3491 2.8617 2.8646 4.0883 4.0907 4.2043 4.2095 4.8212 4.8302 4.8993 4.9049 5.0277 5.0304 6.7408 6.7469 7.2916 7.3149 7.3219 7.3577 8.5537 8.5671 8.8324 8.8567 8.9768 8.9932 9.1439 9.1728 9.2248 9.2629 9.3202 9.3366 9.3934 9.4163 9.4443 9.4923 9.6813 9.6906 9.7559 9.7706 10.4291 10.4812 10.5120 10.5741 10.9109 10.9291 11.0177 11.0544 12.5828 12.5936 13.9243 13.9424 14.2503 14.2813 k = 0.5000-0.1732 0.9115 ( 2642 PWs) bands (ev): -4.4033 -4.4017 -2.3791 -2.3782 -2.3587 -2.3562 2.8781 2.8809 4.0797 4.0819 4.1742 4.1791 4.8534 4.8630 4.9150 4.9216 5.0222 5.0252 6.7622 6.7680 7.2752 7.2934 7.3043 7.3345 8.5321 8.5464 8.8431 8.8642 8.9880 9.0013 9.1442 9.1686 9.2200 9.2557 9.3080 9.3276 9.3934 9.4128 9.4414 9.4859 9.6780 9.6844 9.7511 9.7620 10.4552 10.5064 10.5254 10.5845 10.9088 10.9285 10.9954 11.0307 12.5845 12.5943 14.0100 14.0279 14.2899 14.3187 k = 0.5000-0.1902 0.9170 ( 2642 PWs) bands (ev): -4.3994 -4.3980 -2.3806 -2.3798 -2.3649 -2.3627 2.8938 2.8964 4.0715 4.0735 4.1460 4.1505 4.8831 4.8933 4.9295 4.9373 5.0183 5.0217 6.7821 6.7876 7.2599 7.2733 7.2881 7.3128 8.5114 8.5260 8.8537 8.8721 8.9989 9.0093 9.1448 9.1646 9.2154 9.2485 9.2954 9.3180 9.3934 9.4097 9.4395 9.4797 9.6751 9.6793 9.7468 9.7549 10.4801 10.5282 10.5392 10.5928 10.9071 10.9280 10.9752 11.0084 12.5856 12.5944 14.0948 14.1121 14.3263 14.3526 k = 0.5000-0.2071 0.9225 ( 2638 PWs) bands (ev): -4.3960 -4.3947 -2.3820 -2.3813 -2.3704 -2.3685 2.9083 2.9107 4.0640 4.0658 4.1203 4.1244 4.9090 4.9196 4.9426 4.9514 5.0166 5.0203 6.8003 6.8054 7.2459 7.2550 7.2734 7.2929 8.4925 8.5066 8.8640 8.8801 9.0093 9.0171 9.1456 9.1610 9.2112 9.2416 9.2831 9.3078 9.3935 9.4069 9.4386 9.4738 9.6726 9.6752 9.7431 9.7491 10.5035 10.5436 10.5559 10.5992 10.9061 10.9274 10.9573 10.9877 12.5863 12.5939 14.1761 14.1925 14.3590 14.3827 k = 0.5000-0.2241 0.9280 ( 2640 PWs) bands (ev): -4.3930 -4.3919 -2.3832 -2.3826 -2.3752 -2.3735 2.9215 2.9235 4.0573 4.0588 4.0976 4.1012 4.9303 4.9401 4.9541 4.9628 5.0183 5.0220 6.8164 6.8210 7.2333 7.2389 7.2601 7.2752 8.4760 8.4888 8.8738 8.8877 9.0188 9.0242 9.1467 9.1578 9.2074 9.2351 9.2714 9.2972 9.3936 9.4044 9.4386 9.4683 9.6704 9.6718 9.7400 9.7444 10.5249 10.5546 10.5730 10.6037 10.9058 10.9263 10.9422 10.9691 12.5867 12.5932 14.2512 14.2661 14.3878 14.4086 k = 0.5000-0.2410 0.9334 ( 2642 PWs) bands (ev): -4.3904 -4.3895 -2.3842 -2.3837 -2.3791 -2.3777 2.9328 2.9345 4.0515 4.0528 4.0785 4.0814 4.9465 4.9539 4.9637 4.9705 5.0241 5.0272 6.8304 6.8343 7.2223 7.2253 7.2487 7.2600 8.4622 8.4731 8.8827 8.8944 9.0271 9.0303 9.1482 9.1552 9.2045 9.2292 9.2611 9.2864 9.3937 9.4022 9.4393 9.4633 9.6685 9.6693 9.7374 9.7407 10.5438 10.5637 10.5875 10.6067 10.9061 10.9247 10.9302 10.9528 12.5870 12.5923 14.3166 14.3296 14.4126 14.4302 k = 0.5000-0.2580 0.9389 ( 2648 PWs) bands (ev): -4.3884 -4.3877 -2.3849 -2.3846 -2.3821 -2.3811 2.9421 2.9435 4.0466 4.0476 4.0635 4.0658 4.9580 4.9624 4.9703 4.9746 5.0327 5.0348 6.8418 6.8449 7.2131 7.2145 7.2396 7.2476 8.4515 8.4600 8.8906 8.8998 9.0338 9.0354 9.1497 9.1533 9.2027 9.2237 9.2533 9.2758 9.3939 9.4002 9.4406 9.4587 9.6671 9.6674 9.7355 9.7379 10.5596 10.5714 10.5985 10.6084 10.9072 10.9208 10.9233 10.9391 12.5873 12.5913 14.3678 14.3782 14.4345 14.4479 k = 0.5000-0.2749 0.9444 ( 2662 PWs) bands (ev): -4.3869 -4.3865 -2.3855 -2.3852 -2.3842 -2.3835 2.9491 2.9500 4.0425 4.0430 4.0533 4.0547 4.9655 4.9671 4.9742 4.9768 5.0412 5.0424 6.8503 6.8525 7.2063 7.2067 7.2330 7.2382 8.4440 8.4499 8.8970 8.9034 9.0386 9.0391 9.1508 9.1521 9.2023 9.2181 9.2487 9.2660 9.3943 9.3984 9.4425 9.4545 9.6659 9.6660 9.7341 9.7357 10.5715 10.5777 10.6057 10.6092 10.9090 10.9156 10.9205 10.9280 12.5877 12.5904 14.3989 14.4056 14.4558 14.4638 k = 0.5000-0.2919 0.9499 ( 2662 PWs) bands (ev): -4.3860 -4.3857 -2.3858 -2.3857 -2.3854 -2.3851 2.9535 2.9539 4.0392 4.0393 4.0481 4.0487 4.9692 4.9694 4.9767 4.9781 5.0472 5.0477 6.8559 6.8570 7.2019 7.2020 7.2294 7.2319 8.4402 8.4432 8.9017 8.9050 9.0414 9.0415 9.1516 9.1517 9.2040 9.2126 9.2483 9.2578 9.3949 9.3970 9.4448 9.4509 9.6652 9.6652 9.7336 9.7344 10.5790 10.5818 10.6094 10.6099 10.9114 10.9137 10.9176 10.9199 12.5882 12.5895 14.4106 14.4137 14.4737 14.4776 k = 0.5000-0.3088 0.9554 ( 2662 PWs) bands (ev): -4.3856 -4.3856 -2.3859 -2.3859 -2.3857 -2.3857 2.9551 2.9551 4.0378 4.0378 4.0468 4.0468 4.9702 4.9702 4.9781 4.9781 5.0495 5.0495 6.8581 6.8581 7.2005 7.2005 7.2290 7.2290 8.4399 8.4399 8.9045 8.9045 9.0423 9.0423 9.1517 9.1517 9.2076 9.2076 9.2516 9.2516 9.3958 9.3958 9.4476 9.4476 9.6650 9.6650 9.7336 9.7336 10.5824 10.5824 10.6104 10.6104 10.9144 10.9144 10.9153 10.9153 12.5888 12.5888 14.4136 14.4136 14.4811 14.4811 Writing output data file NiS.save init_run : 0.90s CPU 0.53s WALL ( 1 calls) electrons : 389.16s CPU 274.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 389.15s CPU 274.70s 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 : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.30s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.28s CPU 0.42s WALL ( 344 calls) cegterg : 338.90s CPU 246.09s WALL ( 471 calls) Called by sum_band: Called by *egterg: h_psi : 238.09s CPU 148.17s WALL ( 8196 calls) s_psi : 14.50s CPU 9.94s WALL ( 8196 calls) g_psi : 0.28s CPU 0.18s WALL ( 7381 calls) cdiaghg : 106.57s CPU 93.01s WALL ( 7725 calls) cegterg:over : 8.94s CPU 7.06s WALL ( 7381 calls) cegterg:upda : 6.88s CPU 5.52s WALL ( 7381 calls) cegterg:last : 2.97s CPU 2.55s WALL ( 1239 calls) cdiaghg:chol : 5.96s CPU 5.23s WALL ( 7725 calls) cdiaghg:inve : 4.04s CPU 3.70s WALL ( 7725 calls) cdiaghg:para : 7.05s CPU 6.16s WALL ( 15450 calls) Called by h_psi: h_psi:vloc : 205.42s CPU 125.58s WALL ( 8196 calls) h_psi:vnl : 32.42s CPU 22.39s WALL ( 8196 calls) add_vuspsi : 20.42s CPU 13.60s WALL ( 8196 calls) General routines calbec : 11.97s CPU 8.76s WALL ( 8196 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 195.29s CPU 118.54s WALL ( 964312 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.39s CPU 0.62s WALL ( 688 calls) Parallel routines fft_scatter : 69.72s CPU 48.28s WALL ( 964335 calls) PWSCF : 6m46.16s CPU 5m20.19s WALL This run was terminated on: 4:47:44 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=