Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:38:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Bi2Se3.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 143 57 16 4386 1108 174 Max 144 58 17 4389 1129 178 Sum 5169 2071 611 157935 40289 6337 bravais-lattice index = 14 lattice parameter (alat) = 18.5958 a.u. unit-cell volume = 957.5206 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.595794 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.911373 celldm(5)= 0.911373 celldm(6)= 0.911373 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.911373 0.411582 0.000000 ) a(3) = ( 0.911373 0.196249 0.361782 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.214314 -1.317964 ) b(2) = ( 0.000000 2.429648 -1.317964 ) b(3) = ( 0.000000 0.000000 2.764094 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Bi 15.00 208.98040 Bi( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0111111 -0.0246035 -0.0146440), wk = 0.0035088 k( 3) = ( 0.0222222 -0.0492070 -0.0292881), wk = 0.0035088 k( 4) = ( 0.0333333 -0.0738105 -0.0439321), wk = 0.0035088 k( 5) = ( 0.0444444 -0.0984140 -0.0585762), wk = 0.0035088 k( 6) = ( 0.0555556 -0.1230175 -0.0732202), wk = 0.0035088 k( 7) = ( 0.0666667 -0.1476210 -0.0878642), wk = 0.0035088 k( 8) = ( 0.0777778 -0.1722244 -0.1025083), wk = 0.0035088 k( 9) = ( 0.0888889 -0.1968279 -0.1171523), wk = 0.0035088 k( 10) = ( 0.1000000 -0.2214314 -0.1317964), wk = 0.0035088 k( 11) = ( 0.1111111 -0.2460349 -0.1464404), wk = 0.0035088 k( 12) = ( 0.1222222 -0.2706384 -0.1610844), wk = 0.0035088 k( 13) = ( 0.1333333 -0.2952419 -0.1757285), wk = 0.0035088 k( 14) = ( 0.1444444 -0.3198454 -0.1903725), wk = 0.0035088 k( 15) = ( 0.1555556 -0.3444489 -0.2050166), wk = 0.0035088 k( 16) = ( 0.1666667 -0.3690524 -0.2196606), wk = 0.0035088 k( 17) = ( 0.1777778 -0.3936559 -0.2343046), wk = 0.0035088 k( 18) = ( 0.1888889 -0.4182593 -0.2489487), wk = 0.0035088 k( 19) = ( 0.2000000 -0.4428628 -0.2635927), wk = 0.0035088 k( 20) = ( 0.2111111 -0.4674663 -0.2782367), wk = 0.0035088 k( 21) = ( 0.2222222 -0.4920698 -0.2928808), wk = 0.0035088 k( 22) = ( 0.2333333 -0.5166733 -0.3075248), wk = 0.0035088 k( 23) = ( 0.2444444 -0.5412768 -0.3221689), wk = 0.0035088 k( 24) = ( 0.2555556 -0.5658803 -0.3368129), wk = 0.0035088 k( 25) = ( 0.2666667 -0.5904838 -0.3514570), wk = 0.0035088 k( 26) = ( 0.2777778 -0.6150873 -0.3661010), wk = 0.0035088 k( 27) = ( 0.2888889 -0.6396908 -0.3807450), wk = 0.0035088 k( 28) = ( 0.3000000 -0.6642942 -0.3953891), wk = 0.0035088 k( 29) = ( 0.3111111 -0.6888977 -0.4100331), wk = 0.0035088 k( 30) = ( 0.3222222 -0.7135012 -0.4246771), wk = 0.0035088 k( 31) = ( 0.3333333 -0.7381047 -0.4393212), wk = 0.0035088 k( 32) = ( 0.3444444 -0.7627082 -0.4539652), wk = 0.0035088 k( 33) = ( 0.3555556 -0.7873117 -0.4686093), wk = 0.0035088 k( 34) = ( 0.3666667 -0.8119152 -0.4832533), wk = 0.0035088 k( 35) = ( 0.3777778 -0.8365187 -0.4978973), wk = 0.0035088 k( 36) = ( 0.3888889 -0.8611222 -0.5125414), wk = 0.0035088 k( 37) = ( 0.4000000 -0.8857257 -0.5271854), wk = 0.0035088 k( 38) = ( 0.4111111 -0.9103292 -0.5418295), wk = 0.0035088 k( 39) = ( 0.4222222 -0.9349326 -0.5564735), wk = 0.0035088 k( 40) = ( 0.4333333 -0.9595361 -0.5711175), wk = 0.0035088 k( 41) = ( 0.4444444 -0.9841396 -0.5857616), wk = 0.0035088 k( 42) = ( 0.4555556 -1.0087431 -0.6004056), wk = 0.0035088 k( 43) = ( 0.4666667 -1.0333466 -0.6150497), wk = 0.0035088 k( 44) = ( 0.4777778 -1.0579501 -0.6296937), wk = 0.0035088 k( 45) = ( 0.4888889 -1.0825536 -0.6443377), wk = 0.0035088 k( 46) = ( 0.5000000 -1.1071571 -0.6589818), wk = 0.0035088 k( 47) = ( 0.5000000 -1.1071571 -0.6589818), wk = 0.0035088 k( 48) = ( 0.5000000 -1.0912175 -0.6857620), wk = 0.0035088 k( 49) = ( 0.5000000 -1.0752778 -0.7125422), wk = 0.0035088 k( 50) = ( 0.5000000 -1.0593382 -0.7393223), wk = 0.0035088 k( 51) = ( 0.5000000 -1.0433986 -0.7661026), wk = 0.0035088 k( 52) = ( 0.5000000 -1.0274590 -0.7928827), wk = 0.0035088 k( 53) = ( 0.5000000 -1.0115194 -0.8196629), wk = 0.0035088 k( 54) = ( 0.5000000 -0.9955798 -0.8464431), wk = 0.0035088 k( 55) = ( 0.5000000 -0.9796402 -0.8732233), wk = 0.0035088 k( 56) = ( 0.5000000 -0.9637005 -0.9000035), wk = 0.0035088 k( 57) = ( 0.5000000 -0.9477609 -0.9267837), wk = 0.0035088 k( 58) = ( 0.5000000 -0.9318213 -0.9535639), wk = 0.0035088 k( 59) = ( 0.5000000 -0.9158817 -0.9803441), wk = 0.0035088 k( 60) = ( 0.5000000 -0.8999421 -1.0071243), wk = 0.0035088 k( 61) = ( 0.5000000 -0.8840025 -1.0339045), wk = 0.0035088 k( 62) = ( 0.5000000 -0.8680629 -1.0606846), wk = 0.0035088 k( 63) = ( 0.5000000 -0.8521232 -1.0874649), wk = 0.0035088 k( 64) = ( 0.5000000 -0.8361836 -1.1142450), wk = 0.0035088 k( 65) = ( 0.5000000 -0.8202440 -1.1410253), wk = 0.0035088 k( 66) = ( 0.5000000 -0.8043044 -1.1678054), wk = 0.0035088 k( 67) = ( 0.5000000 -0.7883648 -1.1945856), wk = 0.0035088 k( 68) = ( 0.5000000 -0.7724251 -1.2213658), wk = 0.0035088 k( 69) = ( 0.5000000 -0.7564855 -1.2481460), wk = 0.0035088 k( 70) = ( 0.5000000 -0.7405459 -1.2749262), wk = 0.0035088 k( 71) = ( 0.5000000 -0.7246063 -1.3017064), wk = 0.0035088 k( 72) = ( 0.5000000 -0.7086667 -1.3284866), wk = 0.0035088 k( 73) = ( 0.5000000 -0.6927271 -1.3552668), wk = 0.0035088 k( 74) = ( 0.5000000 -0.6767875 -1.3820469), wk = 0.0035088 k( 75) = ( 0.8228675 -0.6072633 -1.2538802), wk = 0.0035088 k( 76) = ( 0.8162783 -0.5926729 -1.2269830), wk = 0.0035088 k( 77) = ( 0.8096892 -0.5780825 -1.2000857), wk = 0.0035088 k( 78) = ( 0.8031001 -0.5634921 -1.1731885), wk = 0.0035088 k( 79) = ( 0.7965109 -0.5489017 -1.1462913), wk = 0.0035088 k( 80) = ( 0.7899218 -0.5343113 -1.1193941), wk = 0.0035088 k( 81) = ( 0.7833327 -0.5197209 -1.0924969), wk = 0.0035088 k( 82) = ( 0.7767435 -0.5051304 -1.0655996), wk = 0.0035088 k( 83) = ( 0.7701544 -0.4905400 -1.0387024), wk = 0.0035088 k( 84) = ( 0.7635653 -0.4759496 -1.0118052), wk = 0.0035088 k( 85) = ( 0.7569761 -0.4613592 -0.9849080), wk = 0.0035088 k( 86) = ( 0.7503870 -0.4467688 -0.9580108), wk = 0.0035088 k( 87) = ( 0.7437979 -0.4321784 -0.9311136), wk = 0.0035088 k( 88) = ( 0.7372087 -0.4175880 -0.9042164), wk = 0.0035088 k( 89) = ( 0.7306196 -0.4029976 -0.8773191), wk = 0.0035088 k( 90) = ( 0.7240305 -0.3884072 -0.8504219), wk = 0.0035088 k( 91) = ( 0.7174414 -0.3738168 -0.8235247), wk = 0.0035088 k( 92) = ( 0.7108522 -0.3592264 -0.7966275), wk = 0.0035088 k( 93) = ( 0.7042631 -0.3446360 -0.7697303), wk = 0.0035088 k( 94) = ( 0.6976740 -0.3300456 -0.7428331), wk = 0.0035088 k( 95) = ( 0.6910848 -0.3154552 -0.7159359), wk = 0.0035088 k( 96) = ( 0.6844957 -0.3008647 -0.6890387), wk = 0.0035088 k( 97) = ( 0.6779066 -0.2862743 -0.6621414), wk = 0.0035088 k( 98) = ( 0.6713174 -0.2716839 -0.6352442), wk = 0.0035088 k( 99) = ( 0.6647283 -0.2570935 -0.6083470), wk = 0.0035088 k( 100) = ( 0.6581392 -0.2425031 -0.5814498), wk = 0.0035088 k( 101) = ( 0.6515500 -0.2279127 -0.5545526), wk = 0.0035088 k( 102) = ( 0.6449609 -0.2133223 -0.5276553), wk = 0.0035088 k( 103) = ( 0.6383718 -0.1987319 -0.5007581), wk = 0.0035088 k( 104) = ( 0.6317826 -0.1841415 -0.4738609), wk = 0.0035088 k( 105) = ( 0.6251935 -0.1695511 -0.4469637), wk = 0.0035088 k( 106) = ( 0.6186044 -0.1549607 -0.4200665), wk = 0.0035088 k( 107) = ( 0.6120152 -0.1403702 -0.3931692), wk = 0.0035088 k( 108) = ( 0.6054261 -0.1257798 -0.3662720), wk = 0.0035088 k( 109) = ( 0.5988370 -0.1111894 -0.3393748), wk = 0.0035088 k( 110) = ( 0.5922479 -0.0965990 -0.3124776), wk = 0.0035088 k( 111) = ( 0.5856587 -0.0820086 -0.2855804), wk = 0.0035088 k( 112) = ( 0.5790696 -0.0674182 -0.2586832), wk = 0.0035088 k( 113) = ( 0.5724805 -0.0528278 -0.2317860), wk = 0.0035088 k( 114) = ( 0.5658913 -0.0382374 -0.2048888), wk = 0.0035088 k( 115) = ( 0.5593022 -0.0236470 -0.1779915), wk = 0.0035088 k( 116) = ( 0.5527131 -0.0090566 -0.1510943), wk = 0.0035088 k( 117) = ( 0.5461239 0.0055338 -0.1241971), wk = 0.0035088 k( 118) = ( 0.5395348 0.0201242 -0.0972999), wk = 0.0035088 k( 119) = ( 0.5329457 0.0347147 -0.0704027), wk = 0.0035088 k( 120) = ( 0.5263565 0.0493051 -0.0435055), wk = 0.0035088 k( 121) = ( 0.5197674 0.0638955 -0.0166083), wk = 0.0035088 k( 122) = ( 0.5131783 0.0784859 0.0102890), wk = 0.0035088 k( 123) = ( 0.5065891 0.0930763 0.0371862), wk = 0.0035088 k( 124) = ( 0.5000000 0.1076667 0.0640834), wk = 0.0035088 k( 125) = ( 0.5000000 0.1076667 0.0640834), wk = 0.0035088 k( 126) = ( 0.4705882 0.1013334 0.0603138), wk = 0.0035088 k( 127) = ( 0.4411765 0.0950000 0.0565442), wk = 0.0035088 k( 128) = ( 0.4117647 0.0886667 0.0527746), wk = 0.0035088 k( 129) = ( 0.3823529 0.0823334 0.0490050), wk = 0.0035088 k( 130) = ( 0.3529412 0.0760000 0.0452353), wk = 0.0035088 k( 131) = ( 0.3235294 0.0696667 0.0414657), wk = 0.0035088 k( 132) = ( 0.2941177 0.0633333 0.0376961), wk = 0.0035088 k( 133) = ( 0.2647059 0.0570000 0.0339265), wk = 0.0035088 k( 134) = ( 0.2352941 0.0506667 0.0301569), wk = 0.0035088 k( 135) = ( 0.2058823 0.0443333 0.0263873), wk = 0.0035088 k( 136) = ( 0.1764706 0.0380000 0.0226177), wk = 0.0035088 k( 137) = ( 0.1470588 0.0316667 0.0188481), wk = 0.0035088 k( 138) = ( 0.1176471 0.0253333 0.0150784), wk = 0.0035088 k( 139) = ( 0.0882353 0.0190000 0.0113088), wk = 0.0035088 k( 140) = ( 0.0588235 0.0126667 0.0075392), wk = 0.0035088 k( 141) = ( 0.0294118 0.0063333 0.0037696), wk = 0.0035088 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 144) = ( 0.0065109 -0.0144172 -0.0265778), wk = 0.0035088 k( 145) = ( 0.0130218 -0.0288343 -0.0531557), wk = 0.0035088 k( 146) = ( 0.0195327 -0.0432515 -0.0797335), wk = 0.0035088 k( 147) = ( 0.0260436 -0.0576686 -0.1063113), wk = 0.0035088 k( 148) = ( 0.0325544 -0.0720858 -0.1328891), wk = 0.0035088 k( 149) = ( 0.0390653 -0.0865029 -0.1594670), wk = 0.0035088 k( 150) = ( 0.0455762 -0.1009201 -0.1860448), wk = 0.0035088 k( 151) = ( 0.0520871 -0.1153372 -0.2126226), wk = 0.0035088 k( 152) = ( 0.0585980 -0.1297544 -0.2392004), wk = 0.0035088 k( 153) = ( 0.0651089 -0.1441716 -0.2657783), wk = 0.0035088 k( 154) = ( 0.0716198 -0.1585887 -0.2923561), wk = 0.0035088 k( 155) = ( 0.0781307 -0.1730059 -0.3189339), wk = 0.0035088 k( 156) = ( 0.0846416 -0.1874230 -0.3455118), wk = 0.0035088 k( 157) = ( 0.0911525 -0.2018402 -0.3720896), wk = 0.0035088 k( 158) = ( 0.0976633 -0.2162573 -0.3986674), wk = 0.0035088 k( 159) = ( 0.1041742 -0.2306745 -0.4252452), wk = 0.0035088 k( 160) = ( 0.1106851 -0.2450917 -0.4518231), wk = 0.0035088 k( 161) = ( 0.1171960 -0.2595088 -0.4784009), wk = 0.0035088 k( 162) = ( 0.1237069 -0.2739259 -0.5049787), wk = 0.0035088 k( 163) = ( 0.1302178 -0.2883431 -0.5315565), wk = 0.0035088 k( 164) = ( 0.1367287 -0.3027603 -0.5581343), wk = 0.0035088 k( 165) = ( 0.1432396 -0.3171774 -0.5847122), wk = 0.0035088 k( 166) = ( 0.1497505 -0.3315946 -0.6112900), wk = 0.0035088 k( 167) = ( 0.1562613 -0.3460117 -0.6378678), wk = 0.0035088 k( 168) = ( 0.1627722 -0.3604289 -0.6644456), wk = 0.0035088 k( 169) = ( 0.1692831 -0.3748460 -0.6910235), wk = 0.0035088 k( 170) = ( 0.1757940 -0.3892632 -0.7176013), wk = 0.0035088 k( 171) = ( 0.1823049 -0.4036803 -0.7441791), wk = 0.0035088 k( 172) = ( 0.1888158 -0.4180975 -0.7707569), wk = 0.0035088 k( 173) = ( 0.1953267 -0.4325147 -0.7973348), wk = 0.0035088 k( 174) = ( 0.2018376 -0.4469318 -0.8239126), wk = 0.0035088 k( 175) = ( 0.2083485 -0.4613490 -0.8504904), wk = 0.0035088 k( 176) = ( 0.2148594 -0.4757661 -0.8770683), wk = 0.0035088 k( 177) = ( 0.2213702 -0.4901833 -0.9036461), wk = 0.0035088 k( 178) = ( 0.2278811 -0.5046004 -0.9302239), wk = 0.0035088 k( 179) = ( 0.2343920 -0.5190176 -0.9568017), wk = 0.0035088 k( 180) = ( 0.2409029 -0.5334347 -0.9833796), wk = 0.0035088 k( 181) = ( 0.2474138 -0.5478519 -1.0099574), wk = 0.0035088 k( 182) = ( 0.2539247 -0.5622691 -1.0365352), wk = 0.0035088 k( 183) = ( 0.2604356 -0.5766862 -1.0631130), wk = 0.0035088 k( 184) = ( 0.2669465 -0.5911034 -1.0896909), wk = 0.0035088 k( 185) = ( 0.2734574 -0.6055205 -1.1162687), wk = 0.0035088 k( 186) = ( 0.2799683 -0.6199377 -1.1428465), wk = 0.0035088 k( 187) = ( 0.2864792 -0.6343548 -1.1694244), wk = 0.0035088 k( 188) = ( 0.2929900 -0.6487720 -1.1960022), wk = 0.0035088 k( 189) = ( 0.2995009 -0.6631892 -1.2225800), wk = 0.0035088 k( 190) = ( 0.3060118 -0.6776063 -1.2491578), wk = 0.0035088 k( 191) = ( 0.3125227 -0.6920235 -1.2757357), wk = 0.0035088 k( 192) = ( 0.3190336 -0.7064406 -1.3023135), wk = 0.0035088 k( 193) = ( 0.3255445 -0.7208578 -1.3288913), wk = 0.0035088 k( 194) = ( 0.3320554 -0.7352749 -1.3554691), wk = 0.0035088 k( 195) = ( 0.3385663 -0.7496921 -1.3820470), wk = 0.0035088 k( 196) = ( 0.6614337 -0.6420254 -1.3179636), wk = 0.0035088 k( 197) = ( 0.6549764 -0.6120377 -1.3179636), wk = 0.0035088 k( 198) = ( 0.6485190 -0.5820500 -1.3179636), wk = 0.0035088 k( 199) = ( 0.6420617 -0.5520624 -1.3179636), wk = 0.0035088 k( 200) = ( 0.6356043 -0.5220747 -1.3179636), wk = 0.0035088 k( 201) = ( 0.6291470 -0.4920870 -1.3179636), wk = 0.0035088 k( 202) = ( 0.6226896 -0.4620993 -1.3179636), wk = 0.0035088 k( 203) = ( 0.6162323 -0.4321116 -1.3179636), wk = 0.0035088 k( 204) = ( 0.6097749 -0.4021239 -1.3179636), wk = 0.0035088 k( 205) = ( 0.6033176 -0.3721362 -1.3179636), wk = 0.0035088 k( 206) = ( 0.5968602 -0.3421486 -1.3179636), wk = 0.0035088 k( 207) = ( 0.5904029 -0.3121609 -1.3179636), wk = 0.0035088 k( 208) = ( 0.5839455 -0.2821732 -1.3179636), wk = 0.0035088 k( 209) = ( 0.5774882 -0.2521855 -1.3179636), wk = 0.0035088 k( 210) = ( 0.5710308 -0.2221978 -1.3179636), wk = 0.0035088 k( 211) = ( 0.5645735 -0.1922101 -1.3179636), wk = 0.0035088 k( 212) = ( 0.5581161 -0.1622224 -1.3179636), wk = 0.0035088 k( 213) = ( 0.5516588 -0.1322348 -1.3179636), wk = 0.0035088 k( 214) = ( 0.5452014 -0.1022471 -1.3179636), wk = 0.0035088 k( 215) = ( 0.5387441 -0.0722594 -1.3179636), wk = 0.0035088 k( 216) = ( 0.5322868 -0.0422717 -1.3179636), wk = 0.0035088 k( 217) = ( 0.5258294 -0.0122841 -1.3179636), wk = 0.0035088 k( 218) = ( 0.5193720 0.0177036 -1.3179636), wk = 0.0035088 k( 219) = ( 0.5129147 0.0476913 -1.3179636), wk = 0.0035088 k( 220) = ( 0.5064574 0.0776790 -1.3179636), wk = 0.0035088 k( 221) = ( 0.5000000 0.1076667 -1.3179636), wk = 0.0035088 k( 222) = ( 0.5000000 0.1076667 -1.3179636), wk = 0.0035088 k( 223) = ( 0.5269056 0.1134604 -1.3072830), wk = 0.0035088 k( 224) = ( 0.5538112 0.1192540 -1.2966024), wk = 0.0035088 k( 225) = ( 0.5807169 0.1250477 -1.2859219), wk = 0.0035088 k( 226) = ( 0.6076225 0.1308414 -1.2752413), wk = 0.0035088 k( 227) = ( 0.6345281 0.1366351 -1.2645607), wk = 0.0035088 k( 228) = ( 0.6614337 0.1424288 -1.2538802), wk = 0.0035088 k( 229) = ( 0.6614337 0.1424288 -1.2538802), wk = 0.0035088 k( 230) = ( 0.6576795 0.1416203 -1.2232298), wk = 0.0035088 k( 231) = ( 0.6539252 0.1408119 -1.1925795), wk = 0.0035088 k( 232) = ( 0.6501709 0.1400035 -1.1619292), wk = 0.0035088 k( 233) = ( 0.6464166 0.1391951 -1.1312789), wk = 0.0035088 k( 234) = ( 0.6426624 0.1383867 -1.1006286), wk = 0.0035088 k( 235) = ( 0.6389081 0.1375782 -1.0699783), wk = 0.0035088 k( 236) = ( 0.6351538 0.1367698 -1.0393280), wk = 0.0035088 k( 237) = ( 0.6313996 0.1359614 -1.0086776), wk = 0.0035088 k( 238) = ( 0.6276453 0.1351530 -0.9780273), wk = 0.0035088 k( 239) = ( 0.6238910 0.1343446 -0.9473770), wk = 0.0035088 k( 240) = ( 0.6201367 0.1335361 -0.9167267), wk = 0.0035088 k( 241) = ( 0.6163825 0.1327277 -0.8860764), wk = 0.0035088 k( 242) = ( 0.6126282 0.1319193 -0.8554261), wk = 0.0035088 k( 243) = ( 0.6088739 0.1311109 -0.8247757), wk = 0.0035088 k( 244) = ( 0.6051196 0.1303025 -0.7941254), wk = 0.0035088 k( 245) = ( 0.6013654 0.1294940 -0.7634751), wk = 0.0035088 k( 246) = ( 0.5976111 0.1286856 -0.7328248), wk = 0.0035088 k( 247) = ( 0.5938568 0.1278772 -0.7021745), wk = 0.0035088 k( 248) = ( 0.5901026 0.1270688 -0.6715242), wk = 0.0035088 k( 249) = ( 0.5863483 0.1262604 -0.6408739), wk = 0.0035088 k( 250) = ( 0.5825940 0.1254519 -0.6102235), wk = 0.0035088 k( 251) = ( 0.5788397 0.1246435 -0.5795732), wk = 0.0035088 k( 252) = ( 0.5750855 0.1238351 -0.5489229), wk = 0.0035088 k( 253) = ( 0.5713312 0.1230267 -0.5182726), wk = 0.0035088 k( 254) = ( 0.5675769 0.1222183 -0.4876223), wk = 0.0035088 k( 255) = ( 0.5638226 0.1214098 -0.4569720), wk = 0.0035088 k( 256) = ( 0.5600684 0.1206014 -0.4263217), wk = 0.0035088 k( 257) = ( 0.5563141 0.1197930 -0.3956713), wk = 0.0035088 k( 258) = ( 0.5525598 0.1189846 -0.3650210), wk = 0.0035088 k( 259) = ( 0.5488055 0.1181762 -0.3343707), wk = 0.0035088 k( 260) = ( 0.5450513 0.1173677 -0.3037204), wk = 0.0035088 k( 261) = ( 0.5412970 0.1165593 -0.2730701), wk = 0.0035088 k( 262) = ( 0.5375427 0.1157509 -0.2424198), wk = 0.0035088 k( 263) = ( 0.5337885 0.1149425 -0.2117694), wk = 0.0035088 k( 264) = ( 0.5300342 0.1141341 -0.1811191), wk = 0.0035088 k( 265) = ( 0.5262799 0.1133256 -0.1504688), wk = 0.0035088 k( 266) = ( 0.5225256 0.1125172 -0.1198185), wk = 0.0035088 k( 267) = ( 0.5187714 0.1117088 -0.0891682), wk = 0.0035088 k( 268) = ( 0.5150171 0.1109004 -0.0585179), wk = 0.0035088 k( 269) = ( 0.5112628 0.1100920 -0.0278676), wk = 0.0035088 k( 270) = ( 0.5075085 0.1092835 0.0027828), wk = 0.0035088 k( 271) = ( 0.5037543 0.1084751 0.0334331), wk = 0.0035088 k( 272) = ( 0.5000000 0.1076667 0.0640834), wk = 0.0035088 k( 273) = ( 0.5000000 -1.1071571 -0.6589818), wk = 0.0035088 k( 274) = ( 0.5269056 -1.0981848 -0.6536415), wk = 0.0035088 k( 275) = ( 0.5538112 -1.0892126 -0.6483012), wk = 0.0035088 k( 276) = ( 0.5807169 -1.0802404 -0.6429609), wk = 0.0035088 k( 277) = ( 0.6076225 -1.0712682 -0.6376207), wk = 0.0035088 k( 278) = ( 0.6345281 -1.0622960 -0.6322804), wk = 0.0035088 k( 279) = ( 0.6614337 -1.0533237 -0.6269401), wk = 0.0035088 k( 280) = ( 0.6883394 -1.0443515 -0.6215998), wk = 0.0035088 k( 281) = ( 0.7152450 -1.0353793 -0.6162595), wk = 0.0035088 k( 282) = ( 0.7421506 -1.0264071 -0.6109192), wk = 0.0035088 k( 283) = ( 0.7690562 -1.0174348 -0.6055789), wk = 0.0035088 k( 284) = ( 0.7959618 -1.0084626 -0.6002387), wk = 0.0035088 k( 285) = ( 0.8228675 -0.9994904 -0.5948984), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0111111 0.0000000 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0222222 0.0000000 -0.0000000), wk = 0.0035088 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0444444 0.0000000 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0035088 k( 7) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0035088 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0035088 k( 10) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0035088 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0035088 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0035088 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0035088 k( 14) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0035088 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0035088 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0035088 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0035088 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0035088 k( 19) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0035088 k( 20) = ( 0.2111111 0.0000000 -0.0000000), wk = 0.0035088 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0035088 k( 22) = ( 0.2333333 0.0000000 -0.0000000), wk = 0.0035088 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0035088 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0035088 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0035088 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0035088 k( 27) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0035088 k( 28) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0035088 k( 29) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0035088 k( 30) = ( 0.3222222 0.0000000 -0.0000000), wk = 0.0035088 k( 31) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0035088 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0035088 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0035088 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0035088 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0035088 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0035088 k( 37) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0035088 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0035088 k( 39) = ( 0.4222222 0.0000000 -0.0000000), wk = 0.0035088 k( 40) = ( 0.4333333 0.0000000 -0.0000000), wk = 0.0035088 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0035088 k( 42) = ( 0.4555556 0.0000000 -0.0000000), wk = 0.0035088 k( 43) = ( 0.4666667 0.0000000 -0.0000000), wk = 0.0035088 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0035088 k( 45) = ( 0.4888889 0.0000000 -0.0000000), wk = 0.0035088 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035088 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035088 k( 48) = ( 0.5000000 0.0065605 -0.0065605), wk = 0.0035088 k( 49) = ( 0.5000000 0.0131209 -0.0131209), wk = 0.0035088 k( 50) = ( 0.5000000 0.0196814 -0.0196814), wk = 0.0035088 k( 51) = ( 0.5000000 0.0262419 -0.0262419), wk = 0.0035088 k( 52) = ( 0.5000000 0.0328023 -0.0328023), wk = 0.0035088 k( 53) = ( 0.5000000 0.0393628 -0.0393628), wk = 0.0035088 k( 54) = ( 0.5000000 0.0459232 -0.0459233), wk = 0.0035088 k( 55) = ( 0.5000000 0.0524837 -0.0524837), wk = 0.0035088 k( 56) = ( 0.5000000 0.0590442 -0.0590442), wk = 0.0035088 k( 57) = ( 0.5000000 0.0656046 -0.0656046), wk = 0.0035088 k( 58) = ( 0.5000000 0.0721651 -0.0721651), wk = 0.0035088 k( 59) = ( 0.5000000 0.0787256 -0.0787256), wk = 0.0035088 k( 60) = ( 0.5000000 0.0852860 -0.0852860), wk = 0.0035088 k( 61) = ( 0.5000000 0.0918465 -0.0918465), wk = 0.0035088 k( 62) = ( 0.5000000 0.0984070 -0.0984070), wk = 0.0035088 k( 63) = ( 0.5000000 0.1049674 -0.1049674), wk = 0.0035088 k( 64) = ( 0.5000000 0.1115279 -0.1115279), wk = 0.0035088 k( 65) = ( 0.5000000 0.1180884 -0.1180884), wk = 0.0035088 k( 66) = ( 0.5000000 0.1246488 -0.1246488), wk = 0.0035088 k( 67) = ( 0.5000000 0.1312093 -0.1312093), wk = 0.0035088 k( 68) = ( 0.5000000 0.1377698 -0.1377698), wk = 0.0035088 k( 69) = ( 0.5000000 0.1443302 -0.1443302), wk = 0.0035088 k( 70) = ( 0.5000000 0.1508907 -0.1508907), wk = 0.0035088 k( 71) = ( 0.5000000 0.1574511 -0.1574511), wk = 0.0035088 k( 72) = ( 0.5000000 0.1640116 -0.1640116), wk = 0.0035088 k( 73) = ( 0.5000000 0.1705721 -0.1705721), wk = 0.0035088 k( 74) = ( 0.5000000 0.1771325 -0.1771325), wk = 0.0035088 k( 75) = ( 0.8228675 0.5000000 0.1771325), wk = 0.0035088 k( 76) = ( 0.8162783 0.5000000 0.1837217), wk = 0.0035088 k( 77) = ( 0.8096892 0.5000000 0.1903108), wk = 0.0035088 k( 78) = ( 0.8031001 0.5000000 0.1968999), wk = 0.0035088 k( 79) = ( 0.7965109 0.5000000 0.2034891), wk = 0.0035088 k( 80) = ( 0.7899218 0.5000000 0.2100782), wk = 0.0035088 k( 81) = ( 0.7833327 0.5000000 0.2166673), wk = 0.0035088 k( 82) = ( 0.7767435 0.5000000 0.2232565), wk = 0.0035088 k( 83) = ( 0.7701544 0.5000000 0.2298456), wk = 0.0035088 k( 84) = ( 0.7635653 0.5000000 0.2364347), wk = 0.0035088 k( 85) = ( 0.7569761 0.5000000 0.2430238), wk = 0.0035088 k( 86) = ( 0.7503870 0.5000000 0.2496130), wk = 0.0035088 k( 87) = ( 0.7437979 0.5000000 0.2562021), wk = 0.0035088 k( 88) = ( 0.7372087 0.5000000 0.2627913), wk = 0.0035088 k( 89) = ( 0.7306196 0.5000000 0.2693804), wk = 0.0035088 k( 90) = ( 0.7240305 0.5000000 0.2759695), wk = 0.0035088 k( 91) = ( 0.7174414 0.5000000 0.2825586), wk = 0.0035088 k( 92) = ( 0.7108522 0.5000000 0.2891478), wk = 0.0035088 k( 93) = ( 0.7042631 0.5000000 0.2957369), wk = 0.0035088 k( 94) = ( 0.6976740 0.5000000 0.3023260), wk = 0.0035088 k( 95) = ( 0.6910848 0.5000000 0.3089152), wk = 0.0035088 k( 96) = ( 0.6844957 0.5000000 0.3155043), wk = 0.0035088 k( 97) = ( 0.6779066 0.5000000 0.3220934), wk = 0.0035088 k( 98) = ( 0.6713174 0.5000000 0.3286826), wk = 0.0035088 k( 99) = ( 0.6647283 0.5000000 0.3352717), wk = 0.0035088 k( 100) = ( 0.6581392 0.5000000 0.3418608), wk = 0.0035088 k( 101) = ( 0.6515500 0.5000000 0.3484500), wk = 0.0035088 k( 102) = ( 0.6449609 0.5000000 0.3550391), wk = 0.0035088 k( 103) = ( 0.6383718 0.5000000 0.3616282), wk = 0.0035088 k( 104) = ( 0.6317826 0.5000000 0.3682174), wk = 0.0035088 k( 105) = ( 0.6251935 0.5000000 0.3748065), wk = 0.0035088 k( 106) = ( 0.6186044 0.5000000 0.3813956), wk = 0.0035088 k( 107) = ( 0.6120152 0.5000000 0.3879848), wk = 0.0035088 k( 108) = ( 0.6054261 0.5000000 0.3945739), wk = 0.0035088 k( 109) = ( 0.5988370 0.5000000 0.4011630), wk = 0.0035088 k( 110) = ( 0.5922479 0.5000000 0.4077521), wk = 0.0035088 k( 111) = ( 0.5856587 0.5000000 0.4143413), wk = 0.0035088 k( 112) = ( 0.5790696 0.5000000 0.4209304), wk = 0.0035088 k( 113) = ( 0.5724805 0.5000000 0.4275196), wk = 0.0035088 k( 114) = ( 0.5658913 0.5000000 0.4341087), wk = 0.0035088 k( 115) = ( 0.5593022 0.5000000 0.4406978), wk = 0.0035088 k( 116) = ( 0.5527131 0.5000000 0.4472869), wk = 0.0035088 k( 117) = ( 0.5461239 0.5000000 0.4538761), wk = 0.0035088 k( 118) = ( 0.5395348 0.5000000 0.4604652), wk = 0.0035088 k( 119) = ( 0.5329457 0.5000000 0.4670543), wk = 0.0035088 k( 120) = ( 0.5263565 0.5000000 0.4736435), wk = 0.0035088 k( 121) = ( 0.5197674 0.5000000 0.4802326), wk = 0.0035088 k( 122) = ( 0.5131783 0.5000000 0.4868217), wk = 0.0035088 k( 123) = ( 0.5065891 0.5000000 0.4934109), wk = 0.0035088 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 126) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0035088 k( 127) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0035088 k( 128) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0035088 k( 129) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0035088 k( 130) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0035088 k( 131) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0035088 k( 132) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0035088 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0035088 k( 134) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0035088 k( 135) = ( 0.2058823 0.2058824 0.2058823), wk = 0.0035088 k( 136) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0035088 k( 137) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0035088 k( 138) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0035088 k( 139) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0035088 k( 140) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0035088 k( 141) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0035088 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 144) = ( 0.0065109 0.0000000 -0.0065109), wk = 0.0035088 k( 145) = ( 0.0130218 0.0000000 -0.0130218), wk = 0.0035088 k( 146) = ( 0.0195327 0.0000000 -0.0195327), wk = 0.0035088 k( 147) = ( 0.0260436 0.0000000 -0.0260436), wk = 0.0035088 k( 148) = ( 0.0325544 0.0000000 -0.0325545), wk = 0.0035088 k( 149) = ( 0.0390653 0.0000000 -0.0390653), wk = 0.0035088 k( 150) = ( 0.0455762 0.0000000 -0.0455762), wk = 0.0035088 k( 151) = ( 0.0520871 0.0000000 -0.0520871), wk = 0.0035088 k( 152) = ( 0.0585980 -0.0000000 -0.0585980), wk = 0.0035088 k( 153) = ( 0.0651089 0.0000000 -0.0651089), wk = 0.0035088 k( 154) = ( 0.0716198 -0.0000000 -0.0716198), wk = 0.0035088 k( 155) = ( 0.0781307 0.0000000 -0.0781307), wk = 0.0035088 k( 156) = ( 0.0846416 0.0000000 -0.0846416), wk = 0.0035088 k( 157) = ( 0.0911525 0.0000000 -0.0911525), wk = 0.0035088 k( 158) = ( 0.0976633 0.0000000 -0.0976634), wk = 0.0035088 k( 159) = ( 0.1041742 0.0000000 -0.1041742), wk = 0.0035088 k( 160) = ( 0.1106851 0.0000000 -0.1106851), wk = 0.0035088 k( 161) = ( 0.1171960 -0.0000000 -0.1171960), wk = 0.0035088 k( 162) = ( 0.1237069 0.0000000 -0.1237069), wk = 0.0035088 k( 163) = ( 0.1302178 0.0000000 -0.1302178), wk = 0.0035088 k( 164) = ( 0.1367287 0.0000000 -0.1367287), wk = 0.0035088 k( 165) = ( 0.1432396 0.0000000 -0.1432396), wk = 0.0035088 k( 166) = ( 0.1497505 0.0000000 -0.1497505), wk = 0.0035088 k( 167) = ( 0.1562613 0.0000000 -0.1562614), wk = 0.0035088 k( 168) = ( 0.1627722 -0.0000000 -0.1627722), wk = 0.0035088 k( 169) = ( 0.1692831 0.0000000 -0.1692831), wk = 0.0035088 k( 170) = ( 0.1757940 -0.0000000 -0.1757940), wk = 0.0035088 k( 171) = ( 0.1823049 0.0000000 -0.1823049), wk = 0.0035088 k( 172) = ( 0.1888158 0.0000000 -0.1888158), wk = 0.0035088 k( 173) = ( 0.1953267 -0.0000000 -0.1953267), wk = 0.0035088 k( 174) = ( 0.2018376 0.0000000 -0.2018376), wk = 0.0035088 k( 175) = ( 0.2083485 0.0000000 -0.2083485), wk = 0.0035088 k( 176) = ( 0.2148594 0.0000000 -0.2148594), wk = 0.0035088 k( 177) = ( 0.2213702 0.0000000 -0.2213703), wk = 0.0035088 k( 178) = ( 0.2278811 0.0000000 -0.2278811), wk = 0.0035088 k( 179) = ( 0.2343920 -0.0000000 -0.2343920), wk = 0.0035088 k( 180) = ( 0.2409029 0.0000000 -0.2409029), wk = 0.0035088 k( 181) = ( 0.2474138 0.0000000 -0.2474138), wk = 0.0035088 k( 182) = ( 0.2539247 0.0000000 -0.2539247), wk = 0.0035088 k( 183) = ( 0.2604356 0.0000000 -0.2604356), wk = 0.0035088 k( 184) = ( 0.2669465 0.0000000 -0.2669465), wk = 0.0035088 k( 185) = ( 0.2734574 0.0000000 -0.2734574), wk = 0.0035088 k( 186) = ( 0.2799683 0.0000000 -0.2799683), wk = 0.0035088 k( 187) = ( 0.2864792 -0.0000000 -0.2864792), wk = 0.0035088 k( 188) = ( 0.2929900 0.0000000 -0.2929900), wk = 0.0035088 k( 189) = ( 0.2995009 0.0000000 -0.2995009), wk = 0.0035088 k( 190) = ( 0.3060118 -0.0000000 -0.3060118), wk = 0.0035088 k( 191) = ( 0.3125227 0.0000000 -0.3125227), wk = 0.0035088 k( 192) = ( 0.3190336 0.0000000 -0.3190336), wk = 0.0035088 k( 193) = ( 0.3255445 -0.0000000 -0.3255445), wk = 0.0035088 k( 194) = ( 0.3320554 -0.0000000 -0.3320554), wk = 0.0035088 k( 195) = ( 0.3385663 0.0000000 -0.3385663), wk = 0.0035088 k( 196) = ( 0.6614337 0.3385663 -0.0000000), wk = 0.0035088 k( 197) = ( 0.6549764 0.3450236 -0.0000000), wk = 0.0035088 k( 198) = ( 0.6485190 0.3514810 -0.0000000), wk = 0.0035088 k( 199) = ( 0.6420617 0.3579383 -0.0000000), wk = 0.0035088 k( 200) = ( 0.6356043 0.3643957 -0.0000000), wk = 0.0035088 k( 201) = ( 0.6291470 0.3708530 -0.0000000), wk = 0.0035088 k( 202) = ( 0.6226896 0.3773104 -0.0000000), wk = 0.0035088 k( 203) = ( 0.6162323 0.3837677 -0.0000000), wk = 0.0035088 k( 204) = ( 0.6097749 0.3902251 -0.0000000), wk = 0.0035088 k( 205) = ( 0.6033176 0.3966824 -0.0000000), wk = 0.0035088 k( 206) = ( 0.5968602 0.4031398 -0.0000000), wk = 0.0035088 k( 207) = ( 0.5904029 0.4095971 -0.0000000), wk = 0.0035088 k( 208) = ( 0.5839455 0.4160545 -0.0000000), wk = 0.0035088 k( 209) = ( 0.5774882 0.4225118 -0.0000000), wk = 0.0035088 k( 210) = ( 0.5710308 0.4289692 -0.0000000), wk = 0.0035088 k( 211) = ( 0.5645735 0.4354265 -0.0000000), wk = 0.0035088 k( 212) = ( 0.5581161 0.4418839 -0.0000000), wk = 0.0035088 k( 213) = ( 0.5516588 0.4483412 -0.0000000), wk = 0.0035088 k( 214) = ( 0.5452014 0.4547986 -0.0000000), wk = 0.0035088 k( 215) = ( 0.5387441 0.4612559 -0.0000000), wk = 0.0035088 k( 216) = ( 0.5322868 0.4677133 -0.0000000), wk = 0.0035088 k( 217) = ( 0.5258294 0.4741706 -0.0000000), wk = 0.0035088 k( 218) = ( 0.5193720 0.4806280 -0.0000000), wk = 0.0035088 k( 219) = ( 0.5129147 0.4870853 -0.0000000), wk = 0.0035088 k( 220) = ( 0.5064574 0.4935427 -0.0000000), wk = 0.0035088 k( 221) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 222) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 223) = ( 0.5269056 0.5269056 0.0295221), wk = 0.0035088 k( 224) = ( 0.5538112 0.5538112 0.0590442), wk = 0.0035088 k( 225) = ( 0.5807169 0.5807169 0.0885663), wk = 0.0035088 k( 226) = ( 0.6076225 0.6076225 0.1180884), wk = 0.0035088 k( 227) = ( 0.6345281 0.6345281 0.1476104), wk = 0.0035088 k( 228) = ( 0.6614337 0.6614337 0.1771325), wk = 0.0035088 k( 229) = ( 0.6614337 0.6614337 0.1771325), wk = 0.0035088 k( 230) = ( 0.6576795 0.6576795 0.1846411), wk = 0.0035088 k( 231) = ( 0.6539252 0.6539252 0.1921496), wk = 0.0035088 k( 232) = ( 0.6501709 0.6501709 0.1996582), wk = 0.0035088 k( 233) = ( 0.6464166 0.6464166 0.2071667), wk = 0.0035088 k( 234) = ( 0.6426624 0.6426624 0.2146753), wk = 0.0035088 k( 235) = ( 0.6389081 0.6389081 0.2221838), wk = 0.0035088 k( 236) = ( 0.6351538 0.6351538 0.2296923), wk = 0.0035088 k( 237) = ( 0.6313996 0.6313996 0.2372009), wk = 0.0035088 k( 238) = ( 0.6276453 0.6276453 0.2447094), wk = 0.0035088 k( 239) = ( 0.6238910 0.6238910 0.2522180), wk = 0.0035088 k( 240) = ( 0.6201367 0.6201367 0.2597265), wk = 0.0035088 k( 241) = ( 0.6163825 0.6163825 0.2672351), wk = 0.0035088 k( 242) = ( 0.6126282 0.6126282 0.2747436), wk = 0.0035088 k( 243) = ( 0.6088739 0.6088739 0.2822522), wk = 0.0035088 k( 244) = ( 0.6051196 0.6051196 0.2897607), wk = 0.0035088 k( 245) = ( 0.6013654 0.6013654 0.2972693), wk = 0.0035088 k( 246) = ( 0.5976111 0.5976111 0.3047778), wk = 0.0035088 k( 247) = ( 0.5938568 0.5938568 0.3122864), wk = 0.0035088 k( 248) = ( 0.5901026 0.5901026 0.3197949), wk = 0.0035088 k( 249) = ( 0.5863483 0.5863483 0.3273034), wk = 0.0035088 k( 250) = ( 0.5825940 0.5825940 0.3348120), wk = 0.0035088 k( 251) = ( 0.5788397 0.5788397 0.3423205), wk = 0.0035088 k( 252) = ( 0.5750855 0.5750855 0.3498291), wk = 0.0035088 k( 253) = ( 0.5713312 0.5713312 0.3573376), wk = 0.0035088 k( 254) = ( 0.5675769 0.5675769 0.3648462), wk = 0.0035088 k( 255) = ( 0.5638226 0.5638226 0.3723547), wk = 0.0035088 k( 256) = ( 0.5600684 0.5600684 0.3798633), wk = 0.0035088 k( 257) = ( 0.5563141 0.5563141 0.3873718), wk = 0.0035088 k( 258) = ( 0.5525598 0.5525598 0.3948804), wk = 0.0035088 k( 259) = ( 0.5488055 0.5488056 0.4023889), wk = 0.0035088 k( 260) = ( 0.5450513 0.5450513 0.4098974), wk = 0.0035088 k( 261) = ( 0.5412970 0.5412970 0.4174060), wk = 0.0035088 k( 262) = ( 0.5375427 0.5375427 0.4249145), wk = 0.0035088 k( 263) = ( 0.5337885 0.5337885 0.4324231), wk = 0.0035088 k( 264) = ( 0.5300342 0.5300342 0.4399316), wk = 0.0035088 k( 265) = ( 0.5262799 0.5262799 0.4474402), wk = 0.0035088 k( 266) = ( 0.5225256 0.5225256 0.4549487), wk = 0.0035088 k( 267) = ( 0.5187714 0.5187714 0.4624573), wk = 0.0035088 k( 268) = ( 0.5150171 0.5150171 0.4699658), wk = 0.0035088 k( 269) = ( 0.5112628 0.5112628 0.4774744), wk = 0.0035088 k( 270) = ( 0.5075085 0.5075086 0.4849829), wk = 0.0035088 k( 271) = ( 0.5037543 0.5037543 0.4924914), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 273) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035088 k( 274) = ( 0.5269056 0.0282139 0.0282139), wk = 0.0035088 k( 275) = ( 0.5538112 0.0564277 0.0564277), wk = 0.0035088 k( 276) = ( 0.5807169 0.0846416 0.0846416), wk = 0.0035088 k( 277) = ( 0.6076225 0.1128554 0.1128554), wk = 0.0035088 k( 278) = ( 0.6345281 0.1410693 0.1410693), wk = 0.0035088 k( 279) = ( 0.6614337 0.1692831 0.1692831), wk = 0.0035088 k( 280) = ( 0.6883394 0.1974970 0.1974970), wk = 0.0035088 k( 281) = ( 0.7152450 0.2257108 0.2257108), wk = 0.0035088 k( 282) = ( 0.7421506 0.2539247 0.2539247), wk = 0.0035088 k( 283) = ( 0.7690562 0.2821386 0.2821386), wk = 0.0035088 k( 284) = ( 0.7959618 0.3103524 0.3103524), wk = 0.0035088 k( 285) = ( 0.8228675 0.3385663 0.3385663), wk = 0.0035088 Dense grid: 157935 G-vectors FFT dimensions: ( 128, 128, 128) Smooth grid: 40289 G-vectors FFT dimensions: ( 81, 81, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 296, 58) NL pseudopotentials 0.25 Mb ( 148, 110) Each V/rho on FFT grid 1.00 Mb ( 65536) Each G-vector array 0.03 Mb ( 4386) G-vector shells 0.03 Mb ( 3659) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 296, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.19 Mb ( 110, 2, 58) The potential is recalculated from file : ./Bi2Se3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.1 secs Computing kpt #: 5 total cpu time spent up to now is 11.2 secs Computing kpt #: 6 total cpu time spent up to now is 12.5 secs Computing kpt #: 7 total cpu time spent up to now is 13.9 secs Computing kpt #: 8 total cpu time spent up to now is 15.3 secs Computing kpt #: 9 total cpu time spent up to now is 16.6 secs Computing kpt #: 10 total cpu time spent up to now is 18.0 secs Computing kpt #: 11 total cpu time spent up to now is 19.4 secs Computing kpt #: 12 total cpu time spent up to now is 21.2 secs Computing kpt #: 13 total cpu time spent up to now is 22.6 secs Computing kpt #: 14 total cpu time spent up to now is 24.0 secs Computing kpt #: 15 total cpu time spent up to now is 25.3 secs Computing kpt #: 16 total cpu time spent up to now is 26.7 secs Computing kpt #: 17 total cpu time spent up to now is 28.0 secs Computing kpt #: 18 total cpu time spent up to now is 29.4 secs Computing kpt #: 19 total cpu time spent up to now is 30.8 secs Computing kpt #: 20 total cpu time spent up to now is 32.1 secs Computing kpt #: 21 total cpu time spent up to now is 33.5 secs Computing kpt #: 22 total cpu time spent up to now is 34.8 secs Computing kpt #: 23 total cpu time spent up to now is 37.5 secs Computing kpt #: 24 total cpu time spent up to now is 38.8 secs Computing kpt #: 25 total cpu time spent up to now is 40.2 secs Computing kpt #: 26 total cpu time spent up to now is 41.6 secs Computing kpt #: 27 total cpu time spent up to now is 43.0 secs Computing kpt #: 28 total cpu time spent up to now is 44.4 secs Computing kpt #: 29 total cpu time spent up to now is 45.8 secs Computing kpt #: 30 total cpu time spent up to now is 47.2 secs Computing kpt #: 31 total cpu time spent up to now is 48.6 secs Computing kpt #: 32 total cpu time spent up to now is 50.0 secs Computing kpt #: 33 total cpu time spent up to now is 52.1 secs Computing kpt #: 34 total cpu time spent up to now is 53.5 secs Computing kpt #: 35 total cpu time spent up to now is 54.9 secs Computing kpt #: 36 total cpu time spent up to now is 56.3 secs Computing kpt #: 37 total cpu time spent up to now is 57.7 secs Computing kpt #: 38 total cpu time spent up to now is 59.1 secs Computing kpt #: 39 total cpu time spent up to now is 60.5 secs Computing kpt #: 40 total cpu time spent up to now is 61.9 secs Computing kpt #: 41 total cpu time spent up to now is 63.3 secs Computing kpt #: 42 total cpu time spent up to now is 64.7 secs Computing kpt #: 43 total cpu time spent up to now is 66.2 secs Computing kpt #: 44 total cpu time spent up to now is 71.0 secs Computing kpt #: 45 total cpu time spent up to now is 72.4 secs Computing kpt #: 46 total cpu time spent up to now is 73.8 secs Computing kpt #: 47 total cpu time spent up to now is 75.2 secs Computing kpt #: 48 total cpu time spent up to now is 76.6 secs Computing kpt #: 49 total cpu time spent up to now is 78.1 secs Computing kpt #: 50 total cpu time spent up to now is 79.5 secs Computing kpt #: 51 total cpu time spent up to now is 80.9 secs Computing kpt #: 52 total cpu time spent up to now is 82.3 secs Computing kpt #: 53 total cpu time spent up to now is 84.0 secs Computing kpt #: 54 total cpu time spent up to now is 85.3 secs Computing kpt #: 55 total cpu time spent up to now is 86.7 secs Computing kpt #: 56 total cpu time spent up to now is 88.1 secs Computing kpt #: 57 total cpu time spent up to now is 89.5 secs Computing kpt #: 58 total cpu time spent up to now is 90.9 secs Computing kpt #: 59 total cpu time spent up to now is 92.3 secs Computing kpt #: 60 total cpu time spent up to now is 93.7 secs Computing kpt #: 61 total cpu time spent up to now is 95.1 secs Computing kpt #: 62 total cpu time spent up to now is 96.5 secs Computing kpt #: 63 total cpu time spent up to now is 98.0 secs Computing kpt #: 64 total cpu time spent up to now is 101.1 secs Computing kpt #: 65 total cpu time spent up to now is 102.5 secs Computing kpt #: 66 total cpu time spent up to now is 103.9 secs Computing kpt #: 67 total cpu time spent up to now is 105.4 secs Computing kpt #: 68 total cpu time spent up to now is 106.8 secs Computing kpt #: 69 total cpu time spent up to now is 108.2 secs Computing kpt #: 70 total cpu time spent up to now is 109.6 secs Computing kpt #: 71 total cpu time spent up to now is 110.9 secs Computing kpt #: 72 total cpu time spent up to now is 112.3 secs Computing kpt #: 73 total cpu time spent up to now is 113.7 secs Computing kpt #: 74 total cpu time spent up to now is 115.1 secs Computing kpt #: 75 total cpu time spent up to now is 116.5 secs Computing kpt #: 76 total cpu time spent up to now is 117.8 secs Computing kpt #: 77 total cpu time spent up to now is 119.2 secs Computing kpt #: 78 total cpu time spent up to now is 120.6 secs Computing kpt #: 79 total cpu time spent up to now is 121.9 secs Computing kpt #: 80 total cpu time spent up to now is 123.3 secs Computing kpt #: 81 total cpu time spent up to now is 124.6 secs Computing kpt #: 82 total cpu time spent up to now is 126.0 secs Computing kpt #: 83 total cpu time spent up to now is 127.3 secs Computing kpt #: 84 total cpu time spent up to now is 128.7 secs Computing kpt #: 85 total cpu time spent up to now is 130.0 secs Computing kpt #: 86 total cpu time spent up to now is 131.4 secs Computing kpt #: 87 total cpu time spent up to now is 132.7 secs Computing kpt #: 88 total cpu time spent up to now is 134.1 secs Computing kpt #: 89 total cpu time spent up to now is 135.4 secs Computing kpt #: 90 total cpu time spent up to now is 136.8 secs Computing kpt #: 91 total cpu time spent up to now is 138.2 secs Computing kpt #: 92 total cpu time spent up to now is 139.5 secs Computing kpt #: 93 total cpu time spent up to now is 140.9 secs Computing kpt #: 94 total cpu time spent up to now is 142.3 secs Computing kpt #: 95 total cpu time spent up to now is 143.6 secs Computing kpt #: 96 total cpu time spent up to now is 145.0 secs Computing kpt #: 97 total cpu time spent up to now is 146.5 secs Computing kpt #: 98 total cpu time spent up to now is 147.9 secs Computing kpt #: 99 total cpu time spent up to now is 149.3 secs Computing kpt #: 100 total cpu time spent up to now is 150.7 secs Computing kpt #: 101 total cpu time spent up to now is 152.1 secs Computing kpt #: 102 total cpu time spent up to now is 153.6 secs Computing kpt #: 103 total cpu time spent up to now is 155.0 secs Computing kpt #: 104 total cpu time spent up to now is 156.4 secs Computing kpt #: 105 total cpu time spent up to now is 157.8 secs Computing kpt #: 106 total cpu time spent up to now is 159.2 secs Computing kpt #: 107 total cpu time spent up to now is 160.6 secs Computing kpt #: 108 total cpu time spent up to now is 161.9 secs Computing kpt #: 109 total cpu time spent up to now is 163.3 secs Computing kpt #: 110 total cpu time spent up to now is 164.7 secs Computing kpt #: 111 total cpu time spent up to now is 166.0 secs Computing kpt #: 112 total cpu time spent up to now is 167.4 secs Computing kpt #: 113 total cpu time spent up to now is 168.8 secs Computing kpt #: 114 total cpu time spent up to now is 170.1 secs Computing kpt #: 115 total cpu time spent up to now is 171.5 secs Computing kpt #: 116 total cpu time spent up to now is 172.9 secs Computing kpt #: 117 total cpu time spent up to now is 174.3 secs Computing kpt #: 118 total cpu time spent up to now is 175.7 secs Computing kpt #: 119 total cpu time spent up to now is 177.1 secs Computing kpt #: 120 total cpu time spent up to now is 178.5 secs Computing kpt #: 121 total cpu time spent up to now is 179.8 secs Computing kpt #: 122 total cpu time spent up to now is 181.2 secs Computing kpt #: 123 total cpu time spent up to now is 182.5 secs Computing kpt #: 124 total cpu time spent up to now is 183.8 secs Computing kpt #: 125 total cpu time spent up to now is 185.1 secs Computing kpt #: 126 total cpu time spent up to now is 186.4 secs Computing kpt #: 127 total cpu time spent up to now is 187.8 secs Computing kpt #: 128 total cpu time spent up to now is 189.1 secs Computing kpt #: 129 total cpu time spent up to now is 190.4 secs Computing kpt #: 130 total cpu time spent up to now is 191.7 secs Computing kpt #: 131 total cpu time spent up to now is 193.1 secs Computing kpt #: 132 total cpu time spent up to now is 194.4 secs Computing kpt #: 133 total cpu time spent up to now is 195.7 secs Computing kpt #: 134 total cpu time spent up to now is 197.0 secs Computing kpt #: 135 total cpu time spent up to now is 198.3 secs Computing kpt #: 136 total cpu time spent up to now is 199.6 secs Computing kpt #: 137 total cpu time spent up to now is 200.9 secs Computing kpt #: 138 total cpu time spent up to now is 202.2 secs Computing kpt #: 139 total cpu time spent up to now is 203.5 secs Computing kpt #: 140 total cpu time spent up to now is 204.8 secs Computing kpt #: 141 total cpu time spent up to now is 206.1 secs Computing kpt #: 142 total cpu time spent up to now is 207.4 secs Computing kpt #: 143 total cpu time spent up to now is 208.6 secs Computing kpt #: 144 total cpu time spent up to now is 209.9 secs Computing kpt #: 145 total cpu time spent up to now is 211.2 secs Computing kpt #: 146 total cpu time spent up to now is 212.5 secs Computing kpt #: 147 total cpu time spent up to now is 214.1 secs Computing kpt #: 148 total cpu time spent up to now is 215.7 secs Computing kpt #: 149 total cpu time spent up to now is 217.0 secs Computing kpt #: 150 total cpu time spent up to now is 218.4 secs Computing kpt #: 151 total cpu time spent up to now is 219.8 secs Computing kpt #: 152 total cpu time spent up to now is 221.2 secs Computing kpt #: 153 total cpu time spent up to now is 222.6 secs Computing kpt #: 154 total cpu time spent up to now is 224.0 secs Computing kpt #: 155 total cpu time spent up to now is 225.4 secs Computing kpt #: 156 total cpu time spent up to now is 226.8 secs Computing kpt #: 157 total cpu time spent up to now is 228.2 secs Computing kpt #: 158 total cpu time spent up to now is 229.5 secs Computing kpt #: 159 total cpu time spent up to now is 230.9 secs Computing kpt #: 160 total cpu time spent up to now is 232.2 secs Computing kpt #: 161 total cpu time spent up to now is 233.6 secs Computing kpt #: 162 total cpu time spent up to now is 234.9 secs Computing kpt #: 163 total cpu time spent up to now is 236.3 secs Computing kpt #: 164 total cpu time spent up to now is 237.6 secs Computing kpt #: 165 total cpu time spent up to now is 238.9 secs Computing kpt #: 166 total cpu time spent up to now is 240.3 secs Computing kpt #: 167 total cpu time spent up to now is 241.6 secs Computing kpt #: 168 total cpu time spent up to now is 243.0 secs Computing kpt #: 169 total cpu time spent up to now is 244.3 secs Computing kpt #: 170 total cpu time spent up to now is 245.7 secs Computing kpt #: 171 total cpu time spent up to now is 247.1 secs Computing kpt #: 172 total cpu time spent up to now is 248.4 secs Computing kpt #: 173 total cpu time spent up to now is 249.8 secs Computing kpt #: 174 total cpu time spent up to now is 251.1 secs Computing kpt #: 175 total cpu time spent up to now is 252.5 secs Computing kpt #: 176 total cpu time spent up to now is 253.9 secs Computing kpt #: 177 total cpu time spent up to now is 255.2 secs Computing kpt #: 178 total cpu time spent up to now is 256.6 secs Computing kpt #: 179 total cpu time spent up to now is 257.9 secs Computing kpt #: 180 total cpu time spent up to now is 259.3 secs Computing kpt #: 181 total cpu time spent up to now is 260.7 secs Computing kpt #: 182 total cpu time spent up to now is 262.0 secs Computing kpt #: 183 total cpu time spent up to now is 263.4 secs Computing kpt #: 184 total cpu time spent up to now is 264.8 secs Computing kpt #: 185 total cpu time spent up to now is 266.2 secs Computing kpt #: 186 total cpu time spent up to now is 267.7 secs Computing kpt #: 187 total cpu time spent up to now is 269.1 secs Computing kpt #: 188 total cpu time spent up to now is 270.5 secs Computing kpt #: 189 total cpu time spent up to now is 272.0 secs Computing kpt #: 190 total cpu time spent up to now is 273.4 secs Computing kpt #: 191 total cpu time spent up to now is 274.8 secs Computing kpt #: 192 total cpu time spent up to now is 276.2 secs Computing kpt #: 193 total cpu time spent up to now is 277.6 secs Computing kpt #: 194 total cpu time spent up to now is 278.9 secs Computing kpt #: 195 total cpu time spent up to now is 280.3 secs Computing kpt #: 196 total cpu time spent up to now is 281.7 secs Computing kpt #: 197 total cpu time spent up to now is 283.0 secs Computing kpt #: 198 total cpu time spent up to now is 284.4 secs Computing kpt #: 199 total cpu time spent up to now is 285.8 secs Computing kpt #: 200 total cpu time spent up to now is 287.1 secs Computing kpt #: 201 total cpu time spent up to now is 288.5 secs Computing kpt #: 202 total cpu time spent up to now is 289.8 secs Computing kpt #: 203 total cpu time spent up to now is 291.2 secs Computing kpt #: 204 total cpu time spent up to now is 292.5 secs Computing kpt #: 205 total cpu time spent up to now is 293.9 secs Computing kpt #: 206 total cpu time spent up to now is 295.3 secs Computing kpt #: 207 total cpu time spent up to now is 296.7 secs Computing kpt #: 208 total cpu time spent up to now is 298.0 secs Computing kpt #: 209 total cpu time spent up to now is 299.4 secs Computing kpt #: 210 total cpu time spent up to now is 300.8 secs Computing kpt #: 211 total cpu time spent up to now is 302.3 secs Computing kpt #: 212 total cpu time spent up to now is 303.7 secs Computing kpt #: 213 total cpu time spent up to now is 305.1 secs Computing kpt #: 214 total cpu time spent up to now is 306.5 secs Computing kpt #: 215 total cpu time spent up to now is 308.0 secs Computing kpt #: 216 total cpu time spent up to now is 309.4 secs Computing kpt #: 217 total cpu time spent up to now is 310.8 secs Computing kpt #: 218 total cpu time spent up to now is 312.2 secs Computing kpt #: 219 total cpu time spent up to now is 313.7 secs Computing kpt #: 220 total cpu time spent up to now is 315.1 secs Computing kpt #: 221 total cpu time spent up to now is 316.4 secs Computing kpt #: 222 total cpu time spent up to now is 317.8 secs Computing kpt #: 223 total cpu time spent up to now is 319.2 secs Computing kpt #: 224 total cpu time spent up to now is 320.6 secs Computing kpt #: 225 total cpu time spent up to now is 322.1 secs Computing kpt #: 226 total cpu time spent up to now is 323.5 secs Computing kpt #: 227 total cpu time spent up to now is 324.9 secs Computing kpt #: 228 total cpu time spent up to now is 326.4 secs Computing kpt #: 229 total cpu time spent up to now is 327.8 secs Computing kpt #: 230 total cpu time spent up to now is 329.2 secs Computing kpt #: 231 total cpu time spent up to now is 330.6 secs Computing kpt #: 232 total cpu time spent up to now is 332.1 secs Computing kpt #: 233 total cpu time spent up to now is 333.5 secs Computing kpt #: 234 total cpu time spent up to now is 334.9 secs Computing kpt #: 235 total cpu time spent up to now is 336.3 secs Computing kpt #: 236 total cpu time spent up to now is 337.7 secs Computing kpt #: 237 total cpu time spent up to now is 339.2 secs Computing kpt #: 238 total cpu time spent up to now is 340.6 secs Computing kpt #: 239 total cpu time spent up to now is 342.0 secs Computing kpt #: 240 total cpu time spent up to now is 343.3 secs Computing kpt #: 241 total cpu time spent up to now is 344.7 secs Computing kpt #: 242 total cpu time spent up to now is 346.1 secs Computing kpt #: 243 total cpu time spent up to now is 347.5 secs Computing kpt #: 244 total cpu time spent up to now is 348.9 secs Computing kpt #: 245 total cpu time spent up to now is 350.3 secs Computing kpt #: 246 total cpu time spent up to now is 351.7 secs Computing kpt #: 247 total cpu time spent up to now is 353.1 secs Computing kpt #: 248 total cpu time spent up to now is 354.5 secs Computing kpt #: 249 total cpu time spent up to now is 355.9 secs Computing kpt #: 250 total cpu time spent up to now is 357.4 secs Computing kpt #: 251 total cpu time spent up to now is 358.8 secs Computing kpt #: 252 total cpu time spent up to now is 360.2 secs Computing kpt #: 253 total cpu time spent up to now is 361.6 secs Computing kpt #: 254 total cpu time spent up to now is 363.0 secs Computing kpt #: 255 total cpu time spent up to now is 364.4 secs Computing kpt #: 256 total cpu time spent up to now is 365.8 secs Computing kpt #: 257 total cpu time spent up to now is 367.2 secs Computing kpt #: 258 total cpu time spent up to now is 368.6 secs Computing kpt #: 259 total cpu time spent up to now is 369.9 secs Computing kpt #: 260 total cpu time spent up to now is 371.3 secs Computing kpt #: 261 total cpu time spent up to now is 372.6 secs Computing kpt #: 262 total cpu time spent up to now is 374.0 secs Computing kpt #: 263 total cpu time spent up to now is 375.4 secs Computing kpt #: 264 total cpu time spent up to now is 376.8 secs Computing kpt #: 265 total cpu time spent up to now is 378.2 secs Computing kpt #: 266 total cpu time spent up to now is 379.6 secs Computing kpt #: 267 total cpu time spent up to now is 381.0 secs Computing kpt #: 268 total cpu time spent up to now is 382.3 secs Computing kpt #: 269 total cpu time spent up to now is 383.7 secs Computing kpt #: 270 total cpu time spent up to now is 385.0 secs Computing kpt #: 271 total cpu time spent up to now is 386.3 secs Computing kpt #: 272 total cpu time spent up to now is 387.6 secs Computing kpt #: 273 total cpu time spent up to now is 389.0 secs Computing kpt #: 274 total cpu time spent up to now is 390.5 secs Computing kpt #: 275 total cpu time spent up to now is 391.9 secs Computing kpt #: 276 total cpu time spent up to now is 393.3 secs Computing kpt #: 277 total cpu time spent up to now is 394.7 secs Computing kpt #: 278 total cpu time spent up to now is 396.2 secs Computing kpt #: 279 total cpu time spent up to now is 397.6 secs Computing kpt #: 280 total cpu time spent up to now is 399.0 secs Computing kpt #: 281 total cpu time spent up to now is 400.4 secs Computing kpt #: 282 total cpu time spent up to now is 401.9 secs Computing kpt #: 283 total cpu time spent up to now is 403.3 secs Computing kpt #: 284 total cpu time spent up to now is 404.7 secs Computing kpt #: 285 total cpu time spent up to now is 406.1 secs ethr = 2.08E-08, avg # of iterations = 16.9 total cpu time spent up to now is 406.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5091 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5113 -6.5113 -5.7984 -5.7984 -4.9707 -4.9707 -1.5455 -1.5455 -0.7607 -0.7607 5.1942 5.1942 5.3620 5.3620 5.8654 5.8654 6.1305 6.1305 6.2017 6.2017 6.3109 6.3109 6.5379 6.5379 6.7896 6.7896 7.5213 7.5213 7.8892 7.8892 9.1050 9.1050 9.1768 9.1768 9.9506 9.9506 10.7719 10.7719 k = 0.0111-0.0246-0.0146 ( 5096 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5102 -6.5102 -5.7974 -5.7974 -4.9700 -4.9700 -1.5461 -1.5461 -0.7620 -0.7620 5.1861 5.1861 5.3547 5.3547 5.8633 5.8633 6.1122 6.1122 6.2233 6.2233 6.3184 6.3184 6.5312 6.5312 6.7773 6.7773 7.5301 7.5301 7.8904 7.8904 9.0927 9.0927 9.1949 9.1949 9.9570 9.9570 10.7740 10.7740 k = 0.0222-0.0492-0.0293 ( 5105 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6749 -13.6749 -13.6732 -13.6732 -13.6542 -13.6542 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5068 -6.5068 -5.7946 -5.7946 -4.9679 -4.9679 -1.5480 -1.5480 -0.7657 -0.7657 5.1625 5.1625 5.3333 5.3333 5.8562 5.8562 6.0822 6.0822 6.2616 6.2616 6.3404 6.3404 6.5117 6.5117 6.7452 6.7452 7.5497 7.5497 7.8974 7.8974 9.0706 9.0706 9.2344 9.2344 9.9758 9.9758 10.7804 10.7804 k = 0.0333-0.0738-0.0439 ( 5109 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6749 -13.6749 -13.6731 -13.6731 -13.6542 -13.6542 -13.6540 -13.6540 -13.6523 -13.6523 -13.6506 -13.6506 -6.5013 -6.5013 -5.7899 -5.7899 -4.9645 -4.9645 -1.5511 -1.5511 -0.7720 -0.7720 5.1258 5.1258 5.2989 5.2989 5.8417 5.8417 6.0564 6.0564 6.2933 6.2933 6.3756 6.3756 6.4843 6.4843 6.7043 6.7043 7.5637 7.5637 7.9194 7.9194 9.0486 9.0486 9.2847 9.2847 10.0054 10.0054 10.7913 10.7913 k = 0.0444-0.0984-0.0586 ( 5090 PWs) bands (ev): -16.6429 -16.6429 -16.6427 -16.6427 -16.6322 -16.6322 -16.6305 -16.6305 -13.6748 -13.6748 -13.6730 -13.6730 -13.6542 -13.6542 -13.6541 -13.6541 -13.6523 -13.6523 -13.6506 -13.6506 -6.4935 -6.4935 -5.7833 -5.7833 -4.9597 -4.9597 -1.5556 -1.5556 -0.7808 -0.7808 5.0783 5.0783 5.2537 5.2537 5.8167 5.8167 6.0394 6.0394 6.2967 6.2967 6.4136 6.4136 6.4742 6.4742 6.6646 6.6646 7.5577 7.5577 7.9641 7.9641 9.0285 9.0285 9.3434 9.3434 10.0435 10.0435 10.8070 10.8070 k = 0.0556-0.1230-0.0732 ( 5083 PWs) bands (ev): -16.6429 -16.6429 -16.6427 -16.6427 -16.6322 -16.6322 -16.6305 -16.6305 -13.6747 -13.6747 -13.6729 -13.6729 -13.6543 -13.6543 -13.6542 -13.6542 -13.6524 -13.6524 -13.6505 -13.6505 -6.4835 -6.4835 -5.7749 -5.7749 -4.9536 -4.9536 -1.5614 -1.5614 -0.7922 -0.7922 5.0226 5.0226 5.2002 5.2002 5.7796 5.7796 6.0304 6.0304 6.2554 6.2554 6.4349 6.4349 6.5147 6.5147 6.6322 6.6322 7.5289 7.5289 8.0304 8.0304 9.0101 9.0101 9.4093 9.4093 10.0875 10.0875 10.8276 10.8276 k = 0.0667-0.1476-0.0879 ( 5077 PWs) bands (ev): -16.6428 -16.6428 -16.6426 -16.6426 -16.6322 -16.6322 -16.6305 -16.6305 -13.6746 -13.6746 -13.6728 -13.6728 -13.6544 -13.6544 -13.6543 -13.6543 -13.6524 -13.6524 -13.6504 -13.6504 -6.4714 -6.4714 -5.7646 -5.7646 -4.9462 -4.9462 -1.5685 -1.5685 -0.8060 -0.8060 4.9606 4.9606 5.1407 5.1407 5.7314 5.7314 6.0238 6.0238 6.1867 6.1867 6.4527 6.4527 6.5696 6.5696 6.6178 6.6178 7.4824 7.4824 8.1110 8.1110 8.9931 8.9931 9.4816 9.4816 10.1343 10.1343 10.8530 10.8530 k = 0.0778-0.1722-0.1025 ( 5082 PWs) bands (ev): -16.6427 -16.6427 -16.6425 -16.6425 -16.6322 -16.6322 -16.6305 -16.6305 -13.6745 -13.6745 -13.6726 -13.6726 -13.6545 -13.6545 -13.6544 -13.6544 -13.6523 -13.6523 -13.6503 -13.6503 -6.4570 -6.4570 -5.7525 -5.7525 -4.9374 -4.9374 -1.5772 -1.5772 -0.8223 -0.8223 4.8941 4.8941 5.0769 5.0769 5.6739 5.6739 6.0080 6.0080 6.1162 6.1162 6.4641 6.4641 6.5856 6.5856 6.6617 6.6617 7.4242 7.4242 8.1992 8.1992 8.9773 8.9773 9.5589 9.5589 10.1812 10.1812 10.8817 10.8817 k = 0.0889-0.1968-0.1172 ( 5074 PWs) bands (ev): -16.6426 -16.6426 -16.6425 -16.6425 -16.6322 -16.6322 -16.6305 -16.6305 -13.6744 -13.6744 -13.6725 -13.6725 -13.6547 -13.6547 -13.6545 -13.6545 -13.6523 -13.6523 -13.6501 -13.6501 -6.4404 -6.4404 -5.7386 -5.7386 -4.9274 -4.9274 -1.5873 -1.5873 -0.8412 -0.8412 4.8243 4.8243 5.0101 5.0101 5.6079 5.6079 5.9629 5.9629 6.0689 6.0689 6.4645 6.4645 6.5951 6.5951 6.7293 6.7293 7.3588 7.3588 8.2905 8.2905 8.9624 8.9624 9.6402 9.6402 10.2258 10.2258 10.9098 10.9098 k = 0.1000-0.2214-0.1318 ( 5074 PWs) bands (ev): -16.6425 -16.6425 -16.6423 -16.6423 -16.6323 -16.6323 -16.6305 -16.6305 -13.6743 -13.6743 -13.6723 -13.6723 -13.6549 -13.6549 -13.6546 -13.6546 -13.6522 -13.6522 -13.6500 -13.6500 -6.4217 -6.4217 -5.7229 -5.7229 -4.9162 -4.9162 -1.5991 -1.5991 -0.8625 -0.8625 4.7522 4.7522 4.9411 4.9411 5.5341 5.5341 5.8927 5.8927 6.0425 6.0425 6.4585 6.4585 6.6139 6.6139 6.7968 6.7968 7.2900 7.2900 8.3818 8.3818 8.9486 8.9486 9.7239 9.7239 10.2661 10.2661 10.9298 10.9298 k = 0.1111-0.2460-0.1464 ( 5065 PWs) bands (ev): -16.6424 -16.6424 -16.6422 -16.6422 -16.6323 -16.6323 -16.6306 -16.6306 -13.6741 -13.6741 -13.6721 -13.6721 -13.6551 -13.6551 -13.6547 -13.6547 -13.6521 -13.6521 -13.6498 -13.6498 -6.4008 -6.4008 -5.7055 -5.7055 -4.9038 -4.9038 -1.6125 -1.6125 -0.8863 -0.8863 4.6786 4.6786 4.8708 4.8708 5.4531 5.4531 5.8183 5.8183 6.0169 6.0169 6.4530 6.4530 6.6368 6.6368 6.8586 6.8586 7.2226 7.2226 8.4706 8.4706 8.9363 8.9363 9.8084 9.8084 10.3011 10.3011 10.9367 10.9367 k = 0.1222-0.2706-0.1611 ( 5069 PWs) bands (ev): -16.6423 -16.6423 -16.6421 -16.6421 -16.6323 -16.6323 -16.6306 -16.6306 -13.6740 -13.6740 -13.6719 -13.6719 -13.6553 -13.6553 -13.6549 -13.6549 -13.6520 -13.6520 -13.6496 -13.6496 -6.3778 -6.3778 -5.6863 -5.6863 -4.8903 -4.8903 -1.6277 -1.6277 -0.9125 -0.9125 4.6038 4.6038 4.7995 4.7995 5.3666 5.3666 5.7472 5.7472 5.9853 5.9853 6.4510 6.4510 6.6596 6.6596 6.9061 6.9061 7.1652 7.1652 8.5537 8.5537 8.9275 8.9275 9.8920 9.8920 10.3303 10.3303 10.9352 10.9352 k = 0.1333-0.2952-0.1757 ( 5065 PWs) bands (ev): -16.6422 -16.6422 -16.6420 -16.6420 -16.6323 -16.6323 -16.6306 -16.6306 -13.6739 -13.6739 -13.6717 -13.6717 -13.6555 -13.6555 -13.6551 -13.6551 -13.6518 -13.6518 -13.6494 -13.6494 -6.3527 -6.3527 -5.6656 -5.6656 -4.8756 -4.8756 -1.6447 -1.6447 -0.9410 -0.9410 4.5280 4.5280 4.7278 4.7278 5.2767 5.2767 5.6808 5.6808 5.9466 5.9466 6.4528 6.4528 6.6798 6.6798 6.9216 6.9216 7.1368 7.1368 8.6265 8.6265 8.9259 8.9259 9.9724 9.9724 10.3541 10.3541 10.9342 10.9342 k = 0.1444-0.3198-0.1904 ( 5063 PWs) bands (ev): -16.6421 -16.6421 -16.6419 -16.6419 -16.6323 -16.6323 -16.6306 -16.6306 -13.6738 -13.6738 -13.6715 -13.6715 -13.6558 -13.6558 -13.6553 -13.6553 -13.6517 -13.6517 -13.6492 -13.6492 -6.3255 -6.3255 -5.6432 -5.6432 -4.8599 -4.8599 -1.6637 -1.6637 -0.9719 -0.9719 4.4511 4.4511 4.6562 4.6562 5.1857 5.1857 5.6191 5.6191 5.9018 5.9018 6.4574 6.4574 6.6939 6.6939 6.8947 6.8947 7.1498 7.1498 8.6814 8.6814 8.9387 8.9387 10.0470 10.0470 10.3738 10.3738 10.9400 10.9400 k = 0.1556-0.3444-0.2050 ( 5061 PWs) bands (ev): -16.6420 -16.6420 -16.6417 -16.6417 -16.6323 -16.6323 -16.6306 -16.6306 -13.6737 -13.6737 -13.6713 -13.6713 -13.6560 -13.6560 -13.6555 -13.6555 -13.6514 -13.6514 -13.6489 -13.6489 -6.2962 -6.2962 -5.6192 -5.6192 -4.8433 -4.8433 -1.6848 -1.6848 -1.0051 -1.0051 4.3726 4.3726 4.5856 4.5856 5.0958 5.0958 5.5612 5.5612 5.8523 5.8523 6.4632 6.4632 6.6953 6.6953 6.8511 6.8511 7.1852 7.1852 8.7117 8.7117 8.9727 8.9727 10.1129 10.1129 10.3915 10.3915 10.9561 10.9561 k = 0.1667-0.3691-0.2197 ( 5051 PWs) bands (ev): -16.6418 -16.6418 -16.6416 -16.6416 -16.6323 -16.6323 -16.6306 -16.6306 -13.6737 -13.6737 -13.6712 -13.6712 -13.6562 -13.6562 -13.6556 -13.6556 -13.6512 -13.6512 -13.6487 -13.6487 -6.2648 -6.2648 -5.5937 -5.5937 -4.8258 -4.8258 -1.7080 -1.7080 -1.0403 -1.0403 4.2922 4.2922 4.5166 4.5166 5.0087 5.0087 5.5066 5.5066 5.7994 5.7994 6.4678 6.4678 6.6725 6.6725 6.8204 6.8204 7.2251 7.2251 8.7198 8.7198 9.0256 9.0256 10.1670 10.1670 10.4098 10.4098 10.9840 10.9840 k = 0.1778-0.3937-0.2343 ( 5053 PWs) bands (ev): -16.6417 -16.6417 -16.6414 -16.6414 -16.6323 -16.6323 -16.6307 -16.6307 -13.6736 -13.6736 -13.6710 -13.6710 -13.6565 -13.6565 -13.6558 -13.6558 -13.6509 -13.6509 -13.6484 -13.6484 -6.2314 -6.2314 -5.5669 -5.5669 -4.8074 -4.8074 -1.7334 -1.7334 -1.0777 -1.0777 4.2091 4.2091 4.4505 4.4505 4.9258 4.9258 5.4547 5.4547 5.7441 5.7441 6.4671 6.4671 6.6270 6.6270 6.8108 6.8108 7.2625 7.2625 8.7149 8.7149 9.0886 9.0886 10.2070 10.2070 10.4316 10.4316 11.0236 11.0236 k = 0.1889-0.4183-0.2489 ( 5053 PWs) bands (ev): -16.6415 -16.6415 -16.6413 -16.6413 -16.6323 -16.6323 -16.6307 -16.6307 -13.6736 -13.6736 -13.6709 -13.6709 -13.6567 -13.6567 -13.6559 -13.6559 -13.6507 -13.6507 -13.6481 -13.6481 -6.1961 -6.1961 -5.5386 -5.5386 -4.7883 -4.7883 -1.7611 -1.7611 -1.1170 -1.1170 4.1230 4.1230 4.3879 4.3879 4.8479 4.8479 5.4052 5.4052 5.6873 5.6873 6.4511 6.4511 6.5819 6.5819 6.8109 6.8109 7.2946 7.2946 8.7041 8.7041 9.1551 9.1551 10.2330 10.2330 10.4579 10.4579 11.0738 11.0738 k = 0.2000-0.4429-0.2636 ( 5047 PWs) bands (ev): -16.6414 -16.6414 -16.6411 -16.6411 -16.6323 -16.6323 -16.6307 -16.6307 -13.6737 -13.6737 -13.6708 -13.6708 -13.6570 -13.6570 -13.6561 -13.6561 -13.6504 -13.6504 -13.6477 -13.6477 -6.1588 -6.1588 -5.5091 -5.5091 -4.7685 -4.7685 -1.7912 -1.7912 -1.1581 -1.1581 4.0340 4.0340 4.3297 4.3297 4.7755 4.7755 5.3578 5.3578 5.6298 5.6298 6.4080 6.4080 6.5577 6.5577 6.8124 6.8124 7.3201 7.3201 8.6913 8.6913 9.2217 9.2217 10.2477 10.2477 10.4874 10.4874 11.1326 11.1326 k = 0.2111-0.4675-0.2782 ( 5047 PWs) bands (ev): -16.6412 -16.6412 -16.6410 -16.6410 -16.6323 -16.6323 -16.6307 -16.6307 -13.6737 -13.6737 -13.6707 -13.6707 -13.6572 -13.6572 -13.6562 -13.6562 -13.6500 -13.6500 -13.6474 -13.6474 -6.1196 -6.1196 -5.4783 -5.4783 -4.7482 -4.7482 -1.8236 -1.8236 -1.2010 -1.2010 3.9424 3.9424 4.2761 4.2761 4.7085 4.7085 5.3124 5.3124 5.5721 5.5721 6.3440 6.3440 6.5514 6.5514 6.8118 6.8118 7.3388 7.3388 8.6787 8.6787 9.2868 9.2868 10.2548 10.2548 10.5184 10.5184 11.1973 11.1973 k = 0.2222-0.4921-0.2929 ( 5048 PWs) bands (ev): -16.6411 -16.6411 -16.6408 -16.6408 -16.6323 -16.6323 -16.6307 -16.6307 -13.6738 -13.6738 -13.6707 -13.6707 -13.6574 -13.6574 -13.6563 -13.6563 -13.6497 -13.6497 -13.6470 -13.6470 -6.0786 -6.0786 -5.4465 -5.4465 -4.7275 -4.7275 -1.8583 -1.8583 -1.2454 -1.2454 3.8488 3.8488 4.2273 4.2273 4.6472 4.6472 5.2689 5.2689 5.5145 5.5145 6.2718 6.2718 6.5518 6.5518 6.8078 6.8078 7.3509 7.3509 8.6673 8.6673 9.3496 9.3496 10.2572 10.2572 10.5496 10.5496 11.2655 11.2655 k = 0.2333-0.5167-0.3075 ( 5050 PWs) bands (ev): -16.6409 -16.6409 -16.6406 -16.6406 -16.6323 -16.6323 -16.6307 -16.6307 -13.6739 -13.6739 -13.6707 -13.6707 -13.6575 -13.6575 -13.6563 -13.6563 -13.6493 -13.6493 -13.6466 -13.6466 -6.0357 -6.0357 -5.4137 -5.4137 -4.7064 -4.7064 -1.8954 -1.8954 -1.2912 -1.2912 3.7541 3.7541 4.1834 4.1834 4.5911 4.5911 5.2272 5.2272 5.4575 5.4575 6.1969 6.1969 6.5537 6.5537 6.7993 6.7993 7.3573 7.3573 8.6574 8.6574 9.4101 9.4101 10.2567 10.2567 10.5806 10.5806 11.3345 11.3345 k = 0.2444-0.5413-0.3222 ( 5052 PWs) bands (ev): -16.6408 -16.6408 -16.6405 -16.6405 -16.6323 -16.6323 -16.6308 -16.6308 -13.6740 -13.6740 -13.6708 -13.6708 -13.6577 -13.6577 -13.6564 -13.6564 -13.6490 -13.6490 -13.6462 -13.6462 -5.9911 -5.9911 -5.3801 -5.3801 -4.6852 -4.6852 -1.9346 -1.9346 -1.3384 -1.3384 3.6590 3.6590 4.1441 4.1441 4.5401 4.5401 5.1873 5.1873 5.4015 5.4015 6.1215 6.1215 6.5550 6.5550 6.7862 6.7862 7.3590 7.3590 8.6488 8.6488 9.4682 9.4682 10.2543 10.2543 10.6113 10.6113 11.4022 11.4022 k = 0.2556-0.5659-0.3368 ( 5051 PWs) bands (ev): -16.6406 -16.6406 -16.6403 -16.6403 -16.6323 -16.6323 -16.6308 -16.6308 -13.6742 -13.6742 -13.6709 -13.6709 -13.6578 -13.6578 -13.6564 -13.6564 -13.6486 -13.6486 -13.6457 -13.6457 -5.9448 -5.9448 -5.3457 -5.3457 -4.6639 -4.6639 -1.9760 -1.9760 -1.3866 -1.3866 3.5644 3.5644 4.1093 4.1093 4.4939 4.4939 5.1491 5.1491 5.3465 5.3465 6.0467 6.0467 6.5542 6.5542 6.7686 6.7686 7.3575 7.3575 8.6412 8.6412 9.5243 9.5243 10.2506 10.2506 10.6418 10.6418 11.4666 11.4666 k = 0.2667-0.5905-0.3515 ( 5046 PWs) bands (ev): -16.6405 -16.6405 -16.6402 -16.6402 -16.6323 -16.6323 -16.6308 -16.6308 -13.6744 -13.6744 -13.6711 -13.6711 -13.6579 -13.6579 -13.6564 -13.6564 -13.6482 -13.6482 -13.6453 -13.6453 -5.8968 -5.8968 -5.3107 -5.3107 -4.6427 -4.6427 -2.0193 -2.0193 -1.4359 -1.4359 3.4708 3.4708 4.0790 4.0790 4.4524 4.4524 5.1128 5.1128 5.2930 5.2930 5.9730 5.9730 6.5499 6.5499 6.7475 6.7475 7.3539 7.3539 8.6341 8.6341 9.5784 9.5784 10.2461 10.2461 10.6720 10.6720 11.5261 11.5261 k = 0.2778-0.6151-0.3661 ( 5051 PWs) bands (ev): -16.6404 -16.6404 -16.6401 -16.6401 -16.6322 -16.6322 -16.6308 -16.6308 -13.6746 -13.6746 -13.6713 -13.6713 -13.6580 -13.6580 -13.6563 -13.6563 -13.6478 -13.6478 -13.6448 -13.6448 -5.8473 -5.8473 -5.2752 -5.2752 -4.6218 -4.6218 -2.0642 -2.0642 -1.4861 -1.4861 3.3789 3.3789 4.0528 4.0528 4.4151 4.4151 5.0781 5.0781 5.2412 5.2412 5.9008 5.9008 6.5403 6.5403 6.7245 6.7245 7.3494 7.3494 8.6269 8.6269 9.6307 9.6307 10.2411 10.2411 10.7019 10.7019 11.5797 11.5797 k = 0.2889-0.6397-0.3807 ( 5056 PWs) bands (ev): -16.6402 -16.6402 -16.6399 -16.6399 -16.6322 -16.6322 -16.6308 -16.6308 -13.6749 -13.6749 -13.6715 -13.6715 -13.6581 -13.6581 -13.6563 -13.6563 -13.6474 -13.6474 -13.6443 -13.6443 -5.7964 -5.7964 -5.2395 -5.2395 -4.6014 -4.6014 -2.1106 -2.1106 -1.5370 -1.5370 3.2893 3.2893 4.0308 4.0308 4.3820 4.3820 5.0451 5.0451 5.1912 5.1912 5.8304 5.8304 6.5230 6.5230 6.7024 6.7024 7.3448 7.3448 8.6192 8.6192 9.6812 9.6812 10.2361 10.2361 10.7313 10.7313 11.6266 11.6266 k = 0.3000-0.6643-0.3954 ( 5054 PWs) bands (ev): -16.6401 -16.6401 -16.6398 -16.6398 -16.6322 -16.6322 -16.6308 -16.6308 -13.6751 -13.6751 -13.6718 -13.6718 -13.6582 -13.6582 -13.6562 -13.6562 -13.6469 -13.6469 -13.6439 -13.6439 -5.7440 -5.7440 -5.2037 -5.2037 -4.5817 -4.5817 -2.1579 -2.1579 -1.5886 -1.5886 3.2024 3.2024 4.0127 4.0127 4.3528 4.3528 5.0138 5.0138 5.1435 5.1435 5.7618 5.7618 6.4959 6.4959 6.6840 6.6840 7.3408 7.3408 8.6107 8.6107 9.7297 9.7297 10.2315 10.2315 10.7599 10.7599 11.6664 11.6664 k = 0.3111-0.6889-0.4100 ( 5048 PWs) bands (ev): -16.6400 -16.6400 -16.6397 -16.6397 -16.6321 -16.6321 -16.6309 -16.6309 -13.6754 -13.6754 -13.6721 -13.6721 -13.6582 -13.6582 -13.6562 -13.6562 -13.6465 -13.6465 -13.6434 -13.6434 -5.6904 -5.6904 -5.1680 -5.1680 -4.5630 -4.5630 -2.2059 -2.2059 -1.6405 -1.6405 3.1185 3.1185 3.9983 3.9983 4.3273 4.3273 4.9839 4.9839 5.0982 5.0982 5.6954 5.6954 6.4586 6.4586 6.6705 6.6705 7.3376 7.3376 8.6012 8.6012 9.7756 9.7756 10.2283 10.2283 10.7875 10.7875 11.6995 11.6995 k = 0.3222-0.7135-0.4247 ( 5050 PWs) bands (ev): -16.6398 -16.6398 -16.6396 -16.6396 -16.6321 -16.6321 -16.6309 -16.6309 -13.6756 -13.6756 -13.6724 -13.6724 -13.6582 -13.6582 -13.6561 -13.6561 -13.6461 -13.6461 -13.6429 -13.6429 -5.6357 -5.6357 -5.1325 -5.1325 -4.5454 -4.5454 -2.2541 -2.2541 -1.6928 -1.6928 3.0380 3.0380 3.9874 3.9874 4.3051 4.3051 4.9553 4.9553 5.0557 5.0557 5.6312 5.6312 6.4126 6.4126 6.6613 6.6613 7.3353 7.3353 8.5906 8.5906 9.8182 9.8182 10.2272 10.2272 10.8140 10.8140 11.7263 11.7263 k = 0.3333-0.7381-0.4393 ( 5042 PWs) bands (ev): -16.6397 -16.6397 -16.6394 -16.6394 -16.6320 -16.6320 -16.6309 -16.6309 -13.6759 -13.6759 -13.6727 -13.6727 -13.6583 -13.6583 -13.6560 -13.6560 -13.6457 -13.6457 -13.6425 -13.6425 -5.5799 -5.5799 -5.0976 -5.0976 -4.5294 -4.5294 -2.3020 -2.3020 -1.7452 -1.7452 2.9612 2.9612 3.9799 3.9799 4.2861 4.2861 4.9277 4.9277 5.0166 5.0166 5.5694 5.5694 6.3601 6.3601 6.6552 6.6552 7.3339 7.3339 8.5790 8.5790 9.8562 9.8562 10.2296 10.2296 10.8395 10.8395 11.7479 11.7479 k = 0.3444-0.7627-0.4540 ( 5036 PWs) bands (ev): -16.6396 -16.6396 -16.6393 -16.6393 -16.6320 -16.6320 -16.6309 -16.6309 -13.6761 -13.6761 -13.6730 -13.6730 -13.6583 -13.6583 -13.6559 -13.6559 -13.6453 -13.6453 -13.6420 -13.6420 -5.5233 -5.5233 -5.0633 -5.0633 -4.5152 -4.5152 -2.3490 -2.3490 -1.7976 -1.7976 2.8883 2.8883 3.9757 3.9757 4.2700 4.2700 4.9008 4.9008 4.9813 4.9813 5.5102 5.5102 6.3033 6.3033 6.6511 6.6511 7.3334 7.3334 8.5665 8.5665 9.8885 9.8885 10.2366 10.2366 10.8638 10.8638 11.7649 11.7649 k = 0.3556-0.7873-0.4686 ( 5028 PWs) bands (ev): -16.6395 -16.6395 -16.6393 -16.6393 -16.6319 -16.6319 -16.6309 -16.6309 -13.6764 -13.6764 -13.6733 -13.6733 -13.6583 -13.6583 -13.6558 -13.6558 -13.6449 -13.6449 -13.6416 -13.6416 -5.4659 -5.4659 -5.0300 -5.0300 -4.5032 -4.5032 -2.3947 -2.3947 -1.8496 -1.8496 2.8196 2.8196 3.9743 3.9743 4.2563 4.2563 4.8742 4.8742 4.9503 4.9503 5.4537 5.4537 6.2439 6.2439 6.6481 6.6481 7.3336 7.3336 8.5534 8.5534 9.9139 9.9139 10.2491 10.2491 10.8874 10.8874 11.7783 11.7783 k = 0.3667-0.8119-0.4833 ( 5027 PWs) bands (ev): -16.6394 -16.6394 -16.6392 -16.6392 -16.6319 -16.6319 -16.6309 -16.6309 -13.6766 -13.6766 -13.6737 -13.6737 -13.6583 -13.6583 -13.6557 -13.6557 -13.6445 -13.6445 -13.6412 -13.6412 -5.4081 -5.4081 -4.9979 -4.9979 -4.4937 -4.4937 -2.4384 -2.4384 -1.9011 -1.9011 2.7552 2.7552 3.9758 3.9758 4.2449 4.2449 4.8480 4.8480 4.9237 4.9237 5.4001 5.4001 6.1832 6.1832 6.6459 6.6459 7.3343 7.3343 8.5399 8.5399 9.9321 9.9321 10.2671 10.2671 10.9105 10.9105 11.7887 11.7887 k = 0.3778-0.8365-0.4979 ( 5022 PWs) bands (ev): -16.6393 -16.6393 -16.6391 -16.6391 -16.6318 -16.6318 -16.6309 -16.6309 -13.6769 -13.6769 -13.6740 -13.6740 -13.6583 -13.6583 -13.6556 -13.6556 -13.6442 -13.6442 -13.6408 -13.6408 -5.3499 -5.3499 -4.9670 -4.9670 -4.4871 -4.4871 -2.4795 -2.4795 -1.9518 -1.9518 2.6954 2.6954 3.9798 3.9798 4.2351 4.2351 4.8225 4.8225 4.9012 4.9012 5.3496 5.3496 6.1225 6.1225 6.6442 6.6442 7.3355 7.3355 8.5262 8.5262 9.9436 9.9436 10.2899 10.2899 10.9335 10.9335 11.7962 11.7962 k = 0.3889-0.8611-0.5125 ( 5030 PWs) bands (ev): -16.6393 -16.6393 -16.6390 -16.6390 -16.6317 -16.6317 -16.6309 -16.6309 -13.6771 -13.6771 -13.6743 -13.6743 -13.6583 -13.6583 -13.6556 -13.6556 -13.6438 -13.6438 -13.6404 -13.6404 -5.2918 -5.2918 -4.9378 -4.9378 -4.4839 -4.4839 -2.5175 -2.5175 -2.0012 -2.0012 2.6403 2.6403 3.9861 3.9861 4.2267 4.2267 4.7985 4.7985 4.8822 4.8822 5.3025 5.3025 6.0628 6.0628 6.6427 6.6427 7.3371 7.3371 8.5127 8.5127 9.9496 9.9496 10.3159 10.3159 10.9568 10.9568 11.8012 11.8012 k = 0.4000-0.8857-0.5272 ( 5024 PWs) bands (ev): -16.6392 -16.6392 -16.6390 -16.6390 -16.6317 -16.6317 -16.6309 -16.6309 -13.6773 -13.6773 -13.6746 -13.6746 -13.6583 -13.6583 -13.6555 -13.6555 -13.6435 -13.6435 -13.6400 -13.6400 -5.2340 -5.2340 -4.9103 -4.9103 -4.4843 -4.4843 -2.5520 -2.5520 -2.0491 -2.0491 2.5899 2.5899 3.9944 3.9944 4.2190 4.2190 4.7766 4.7766 4.8662 4.8662 5.2590 5.2590 6.0049 6.0049 6.6415 6.6415 7.3388 7.3388 8.4995 8.4995 9.9516 9.9516 10.3432 10.3432 10.9805 10.9805 11.8035 11.8035 k = 0.4111-0.9103-0.5418 ( 5022 PWs) bands (ev): -16.6391 -16.6391 -16.6389 -16.6389 -16.6316 -16.6316 -16.6310 -16.6310 -13.6775 -13.6775 -13.6748 -13.6748 -13.6583 -13.6583 -13.6554 -13.6554 -13.6432 -13.6432 -13.6397 -13.6397 -5.1769 -5.1769 -4.8846 -4.8846 -4.4886 -4.4886 -2.5824 -2.5824 -2.0949 -2.0949 2.5446 2.5446 4.0047 4.0047 4.2117 4.2117 4.7576 4.7576 4.8523 4.8523 5.2194 5.2194 5.9498 5.9498 6.6404 6.6404 7.3406 7.3406 8.4870 8.4870 9.9509 9.9509 10.3703 10.3703 11.0049 11.0049 11.8031 11.8031 k = 0.4222-0.9349-0.5565 ( 5027 PWs) bands (ev): -16.6391 -16.6391 -16.6389 -16.6389 -16.6316 -16.6316 -16.6310 -16.6310 -13.6777 -13.6777 -13.6751 -13.6751 -13.6583 -13.6583 -13.6553 -13.6553 -13.6429 -13.6429 -13.6394 -13.6394 -5.1210 -5.1210 -4.8608 -4.8608 -4.4971 -4.4971 -2.6085 -2.6085 -2.1380 -2.1380 2.5043 2.5043 4.0164 4.0164 4.2042 4.2042 4.7417 4.7417 4.8400 4.8400 5.1840 5.1840 5.8983 5.8983 6.6395 6.6395 7.3425 7.3425 8.4753 8.4753 9.9486 9.9486 10.3957 10.3957 11.0299 11.0299 11.7999 11.7999 k = 0.4333-0.9595-0.5711 ( 5025 PWs) bands (ev): -16.6390 -16.6390 -16.6389 -16.6389 -16.6315 -16.6315 -16.6310 -16.6310 -13.6778 -13.6778 -13.6753 -13.6753 -13.6582 -13.6582 -13.6553 -13.6553 -13.6427 -13.6427 -13.6392 -13.6392 -5.0670 -5.0670 -4.8390 -4.8390 -4.5099 -4.5099 -2.6302 -2.6302 -2.1779 -2.1779 2.4692 2.4692 4.0296 4.0296 4.1960 4.1960 4.7294 4.7294 4.8289 4.8289 5.1533 5.1533 5.8512 5.8512 6.6386 6.6386 7.3442 7.3442 8.4648 8.4648 9.9454 9.9454 10.4187 10.4187 11.0551 11.0551 11.7940 11.7940 k = 0.4444-0.9841-0.5858 ( 5022 PWs) bands (ev): -16.6390 -16.6390 -16.6388 -16.6388 -16.6315 -16.6315 -16.6310 -16.6310 -13.6780 -13.6780 -13.6755 -13.6755 -13.6582 -13.6582 -13.6552 -13.6552 -13.6425 -13.6425 -13.6390 -13.6390 -5.0160 -5.0160 -4.8187 -4.8187 -4.5268 -4.5268 -2.6475 -2.6475 -2.2138 -2.2138 2.4394 2.4394 4.0437 4.0437 4.1870 4.1870 4.7205 4.7205 4.8186 4.8186 5.1273 5.1273 5.8094 5.8094 6.6379 6.6379 7.3459 7.3459 8.4555 8.4555 9.9420 9.9420 10.4386 10.4386 11.0798 11.0798 11.7859 11.7859 k = 0.4556-1.0087-0.6004 ( 5020 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6756 -13.6756 -13.6582 -13.6582 -13.6552 -13.6552 -13.6423 -13.6423 -13.6388 -13.6388 -4.9694 -4.9694 -4.7995 -4.7995 -4.5475 -4.5475 -2.6606 -2.6606 -2.2450 -2.2450 2.4148 2.4148 4.0586 4.0586 4.1768 4.1768 4.7150 4.7150 4.8090 4.8090 5.1063 5.1063 5.7737 5.7737 6.6373 6.6373 7.3473 7.3473 8.4477 8.4477 9.9388 9.9388 10.4549 10.4549 11.1029 11.1029 11.7764 11.7764 k = 0.4667-1.0333-0.6150 ( 5024 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6758 -13.6758 -13.6582 -13.6582 -13.6552 -13.6552 -13.6422 -13.6422 -13.6387 -13.6387 -4.9293 -4.9293 -4.7805 -4.7805 -4.5711 -4.5711 -2.6699 -2.6699 -2.2705 -2.2705 2.3957 2.3957 4.0739 4.0739 4.1655 4.1655 4.7122 4.7122 4.8003 4.8003 5.0904 5.0904 5.7449 5.7449 6.6368 6.6368 7.3485 7.3485 8.4415 8.4415 9.9360 9.9360 10.4677 10.4677 11.1232 11.1232 11.7666 11.7666 k = 0.4778-1.0580-0.6297 ( 5019 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6421 -13.6421 -13.6386 -13.6386 -4.8985 -4.8985 -4.7611 -4.7611 -4.5957 -4.5957 -2.6760 -2.6760 -2.2895 -2.2895 2.3820 2.3820 4.0892 4.0892 4.1532 4.1532 4.7115 4.7115 4.7929 4.7929 5.0792 5.0792 5.7237 5.7237 6.6365 6.6365 7.3493 7.3493 8.4370 8.4370 9.9339 9.9339 10.4768 10.4768 11.1392 11.1392 11.7581 11.7581 k = 0.4889-1.0826-0.6443 ( 5017 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6421 -13.6421 -13.6385 -13.6385 -4.8795 -4.8795 -4.7432 -4.7432 -4.6171 -4.6171 -2.6794 -2.6794 -2.3013 -2.3013 2.3738 2.3738 4.1035 4.1035 4.1408 4.1408 4.7118 4.7118 4.7878 4.7878 5.0727 5.0727 5.7107 5.7107 6.6363 6.6363 7.3499 7.3499 8.4342 8.4342 9.9326 9.9326 10.4822 10.4822 11.1495 11.1495 11.7522 11.7522 k = 0.5000-1.1072-0.6590 ( 5020 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6420 -13.6420 -13.6385 -13.6385 -4.8731 -4.8731 -4.7349 -4.7349 -4.6266 -4.6266 -2.6804 -2.6804 -2.3053 -2.3053 2.3710 2.3710 4.1116 4.1116 4.1333 4.1333 4.7120 4.7120 4.7860 4.7860 5.0705 5.0705 5.7064 5.7064 6.6362 6.6362 7.3500 7.3500 8.4333 8.4333 9.9321 9.9321 10.4840 10.4840 11.1531 11.1531 11.7502 11.7502 k = 0.5000-1.1072-0.6590 ( 5020 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6420 -13.6420 -13.6385 -13.6385 -4.8731 -4.8731 -4.7349 -4.7349 -4.6266 -4.6266 -2.6804 -2.6804 -2.3053 -2.3053 2.3710 2.3710 4.1116 4.1116 4.1333 4.1333 4.7120 4.7120 4.7860 4.7860 5.0705 5.0705 5.7064 5.7064 6.6362 6.6362 7.3500 7.3500 8.4333 8.4333 9.9321 9.9321 10.4840 10.4840 11.1531 11.1531 11.7502 11.7502 k = 0.5000-1.0912-0.6858 ( 5022 PWs) bands (ev): -16.6390 -16.6390 -16.6387 -16.6387 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6421 -13.6421 -13.6385 -13.6385 -4.8724 -4.8724 -4.7343 -4.7343 -4.6260 -4.6260 -2.6808 -2.6808 -2.3065 -2.3065 2.3720 2.3720 4.0989 4.0989 4.1363 4.1363 4.6688 4.6688 4.8304 4.8304 5.0795 5.0795 5.7074 5.7074 6.6242 6.6242 7.3408 7.3408 8.4495 8.4495 9.9368 9.9368 10.4869 10.4869 11.1539 11.1539 11.7486 11.7486 k = 0.5000-1.0753-0.7125 ( 5026 PWs) bands (ev): -16.6391 -16.6391 -16.6385 -16.6385 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6758 -13.6758 -13.6582 -13.6582 -13.6552 -13.6552 -13.6421 -13.6421 -13.6385 -13.6385 -4.8703 -4.8703 -4.7323 -4.7323 -4.6240 -4.6240 -2.6818 -2.6818 -2.3101 -2.3101 2.3748 2.3748 4.0711 4.0711 4.1354 4.1354 4.6059 4.6059 4.8966 4.8966 5.1063 5.1063 5.7103 5.7103 6.5891 6.5891 7.3142 7.3142 8.4962 8.4962 9.9503 9.9503 10.4954 10.4954 11.1564 11.1564 11.7441 11.7441 k = 0.5000-1.0593-0.7393 ( 5020 PWs) bands (ev): -16.6392 -16.6392 -16.6384 -16.6384 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6757 -13.6757 -13.6582 -13.6582 -13.6552 -13.6552 -13.6422 -13.6422 -13.6386 -13.6386 -4.8668 -4.8668 -4.7291 -4.7291 -4.6208 -4.6208 -2.6836 -2.6836 -2.3161 -2.3161 2.3795 2.3795 4.0339 4.0339 4.1251 4.1251 4.5477 4.5477 4.9608 4.9608 5.1499 5.1499 5.7151 5.7151 6.5342 6.5342 7.2729 7.2729 8.5684 8.5684 9.9717 9.9717 10.5093 10.5093 11.1606 11.1606 11.7369 11.7369 k = 0.5000-1.0434-0.7661 ( 5014 PWs) bands (ev): -16.6392 -16.6392 -16.6382 -16.6382 -16.6315 -16.6315 -16.6310 -16.6310 -13.6780 -13.6780 -13.6755 -13.6755 -13.6583 -13.6583 -13.6553 -13.6553 -13.6422 -13.6422 -13.6387 -13.6387 -4.8619 -4.8619 -4.7246 -4.7246 -4.6163 -4.6163 -2.6860 -2.6860 -2.3244 -2.3244 2.3861 2.3861 3.9894 3.9894 4.1041 4.1041 4.4991 4.4991 5.0198 5.0198 5.2075 5.2075 5.7215 5.7215 6.4638 6.4638 7.2201 7.2201 8.6605 8.6605 9.9993 9.9993 10.5285 10.5285 11.1666 11.1666 11.7276 11.7276 k = 0.5000-1.0275-0.7929 ( 5022 PWs) bands (ev): -16.6393 -16.6393 -16.6380 -16.6380 -16.6316 -16.6316 -16.6310 -16.6310 -13.6779 -13.6779 -13.6753 -13.6753 -13.6583 -13.6583 -13.6554 -13.6554 -13.6423 -13.6423 -13.6389 -13.6389 -4.8557 -4.8557 -4.7190 -4.7190 -4.6106 -4.6106 -2.6891 -2.6891 -2.3351 -2.3351 2.3945 2.3945 3.9393 3.9393 4.0717 4.0717 4.4624 4.4624 5.0741 5.0741 5.2743 5.2743 5.7292 5.7292 6.3830 6.3830 7.1585 7.1585 8.7669 8.7669 10.0310 10.0310 10.5528 10.5528 11.1745 11.1745 11.7166 11.7166 k = 0.5000-1.0115-0.8197 ( 5022 PWs) bands (ev): -16.6394 -16.6394 -16.6379 -16.6379 -16.6316 -16.6316 -16.6310 -16.6310 -13.6777 -13.6777 -13.6750 -13.6750 -13.6583 -13.6583 -13.6555 -13.6555 -13.6424 -13.6424 -13.6391 -13.6391 -4.8481 -4.8481 -4.7121 -4.7121 -4.6037 -4.6037 -2.6929 -2.6929 -2.3481 -2.3481 2.4046 2.4046 3.8856 3.8856 4.0289 4.0289 4.4378 4.4378 5.1249 5.1249 5.3444 5.3444 5.7377 5.7377 6.2971 6.2971 7.0904 7.0904 8.8831 8.8831 10.0639 10.0639 10.5825 10.5825 11.1842 11.1842 11.7044 11.7044 k = 0.5000-0.9956-0.8464 ( 5028 PWs) bands (ev): -16.6394 -16.6394 -16.6377 -16.6377 -16.6317 -16.6317 -16.6310 -16.6310 -13.6775 -13.6775 -13.6747 -13.6747 -13.6584 -13.6584 -13.6556 -13.6556 -13.6426 -13.6426 -13.6393 -13.6393 -4.8393 -4.8393 -4.7042 -4.7042 -4.5956 -4.5956 -2.6974 -2.6974 -2.3633 -2.3633 2.4165 2.4165 3.8297 3.8297 3.9786 3.9786 4.4234 4.4234 5.1728 5.1728 5.4118 5.4118 5.7465 5.7465 6.2122 6.2122 7.0181 7.0181 9.0054 9.0054 10.0946 10.0946 10.6181 10.6181 11.1958 11.1958 11.6913 11.6913 k = 0.5000-0.9796-0.8732 ( 5032 PWs) bands (ev): -16.6395 -16.6395 -16.6375 -16.6375 -16.6318 -16.6318 -16.6310 -16.6310 -13.6773 -13.6773 -13.6743 -13.6743 -13.6585 -13.6585 -13.6557 -13.6557 -13.6427 -13.6427 -13.6395 -13.6395 -4.8293 -4.8293 -4.6953 -4.6953 -4.5865 -4.5865 -2.7025 -2.7025 -2.3806 -2.3806 2.4299 2.4299 3.7730 3.7730 3.9236 3.9236 4.4167 4.4167 5.2179 5.2179 5.4689 5.4689 5.7555 5.7555 6.1361 6.1361 6.9438 6.9438 9.1307 9.1307 10.1196 10.1196 10.6604 10.6604 11.2093 11.2093 11.6778 11.6778 k = 0.5000-0.9637-0.9000 ( 5032 PWs) bands (ev): -16.6395 -16.6395 -16.6373 -16.6373 -16.6319 -16.6319 -16.6310 -16.6310 -13.6770 -13.6770 -13.6739 -13.6739 -13.6586 -13.6586 -13.6558 -13.6558 -13.6428 -13.6428 -13.6397 -13.6397 -4.8181 -4.8181 -4.6855 -4.6855 -4.5765 -4.5765 -2.7083 -2.7083 -2.3999 -2.3999 2.4448 2.4448 3.7165 3.7165 3.8668 3.8668 4.4152 4.4152 5.2593 5.2593 5.5055 5.5055 5.7646 5.7646 6.0794 6.0794 6.8700 6.8700 9.2565 9.2565 10.1359 10.1359 10.7100 10.7100 11.2245 11.2245 11.6644 11.6644 k = 0.5000-0.9478-0.9268 ( 5036 PWs) bands (ev): -16.6395 -16.6395 -16.6371 -16.6371 -16.6320 -16.6320 -16.6311 -16.6311 -13.6766 -13.6766 -13.6736 -13.6736 -13.6587 -13.6587 -13.6560 -13.6560 -13.6430 -13.6430 -13.6400 -13.6400 -4.8058 -4.8058 -4.6748 -4.6748 -4.5655 -4.5655 -2.7147 -2.7147 -2.4211 -2.4211 2.4610 2.4610 3.6613 3.6613 3.8102 3.8102 4.4170 4.4170 5.2950 5.2950 5.5122 5.5122 5.7722 5.7722 6.0547 6.0547 6.7991 6.7991 9.3802 9.3802 10.1410 10.1410 10.7668 10.7668 11.2411 11.2411 11.6521 11.6521 k = 0.5000-0.9318-0.9536 ( 5030 PWs) bands (ev): -16.6395 -16.6395 -16.6369 -16.6369 -16.6321 -16.6321 -16.6311 -16.6311 -13.6763 -13.6763 -13.6732 -13.6732 -13.6589 -13.6589 -13.6561 -13.6561 -13.6431 -13.6431 -13.6402 -13.6402 -4.7925 -4.7925 -4.6636 -4.6636 -4.5537 -4.5537 -2.7217 -2.7217 -2.4441 -2.4441 2.4784 2.4784 3.6081 3.6081 3.7553 3.7553 4.4205 4.4205 5.3190 5.3190 5.4927 5.4927 5.7730 5.7730 6.0679 6.0679 6.7342 6.7342 9.4997 9.4997 10.1341 10.1341 10.8300 10.8300 11.2584 11.2584 11.6423 11.6423 k = 0.5000-0.9159-0.9803 ( 5032 PWs) bands (ev): -16.6395 -16.6395 -16.6367 -16.6367 -16.6322 -16.6322 -16.6311 -16.6311 -13.6759 -13.6759 -13.6728 -13.6728 -13.6591 -13.6591 -13.6562 -13.6562 -13.6432 -13.6432 -13.6405 -13.6405 -4.7782 -4.7782 -4.6518 -4.6518 -4.5414 -4.5414 -2.7291 -2.7291 -2.4686 -2.4686 2.4969 2.4969 3.5577 3.5577 3.7032 3.7032 4.4241 4.4241 5.3162 5.3162 5.4719 5.4719 5.7634 5.7634 6.1122 6.1122 6.6781 6.6781 9.6122 9.6122 10.1154 10.1154 10.8972 10.8972 11.2755 11.2755 11.6373 11.6373 k = 0.5000-0.8999-1.0071 ( 5040 PWs) bands (ev): -16.6395 -16.6395 -16.6365 -16.6365 -16.6323 -16.6323 -16.6312 -16.6312 -13.6755 -13.6755 -13.6724 -13.6724 -13.6593 -13.6593 -13.6564 -13.6564 -13.6433 -13.6433 -13.6408 -13.6408 -4.7631 -4.7631 -4.6397 -4.6397 -4.5285 -4.5285 -2.7370 -2.7370 -2.4945 -2.4945 2.5162 2.5162 3.5106 3.5106 3.6547 3.6547 4.4264 4.4264 5.2744 5.2744 5.4731 5.4731 5.7438 5.7438 6.1755 6.1755 6.6333 6.6333 9.7151 9.7151 10.0866 10.0866 10.9650 10.9650 11.2916 11.2916 11.6401 11.6401 k = 0.5000-0.8840-1.0339 ( 5042 PWs) bands (ev): -16.6395 -16.6395 -16.6363 -16.6363 -16.6324 -16.6324 -16.6312 -16.6312 -13.6751 -13.6751 -13.6720 -13.6720 -13.6596 -13.6596 -13.6565 -13.6565 -13.6434 -13.6434 -13.6411 -13.6411 -4.7473 -4.7473 -4.6274 -4.6274 -4.5154 -4.5154 -2.7452 -2.7452 -2.5214 -2.5214 2.5361 2.5361 3.4675 3.4675 3.6103 3.6103 4.4255 4.4255 5.2105 5.2105 5.4861 5.4861 5.7171 5.7171 6.2488 6.2488 6.6014 6.6014 9.8035 9.8035 10.0518 10.0518 11.0278 11.0278 11.3076 11.3076 11.6542 11.6542 k = 0.5000-0.8681-1.0607 ( 5040 PWs) bands (ev): -16.6395 -16.6395 -16.6361 -16.6361 -16.6325 -16.6325 -16.6312 -16.6312 -13.6746 -13.6746 -13.6716 -13.6716 -13.6600 -13.6600 -13.6565 -13.6565 -13.6435 -13.6435 -13.6414 -13.6414 -4.7308 -4.7308 -4.6152 -4.6152 -4.5021 -4.5021 -2.7536 -2.7536 -2.5491 -2.5491 2.5563 2.5563 3.4288 3.4288 3.5706 3.5706 4.4193 4.4193 5.1421 5.1421 5.4934 5.4934 5.6906 5.6906 6.3270 6.3270 6.5826 6.5826 9.8654 9.8654 10.0230 10.0230 11.0765 11.0765 11.3289 11.3289 11.6816 11.6816 k = 0.5000-0.8521-1.0875 ( 5036 PWs) bands (ev): -16.6395 -16.6395 -16.6359 -16.6359 -16.6326 -16.6326 -16.6313 -16.6313 -13.6741 -13.6741 -13.6712 -13.6712 -13.6603 -13.6603 -13.6566 -13.6566 -13.6435 -13.6435 -13.6416 -13.6416 -4.7139 -4.7139 -4.6032 -4.6032 -4.4890 -4.4890 -2.7620 -2.7620 -2.5772 -2.5772 2.5766 2.5766 3.3951 3.3951 3.5360 3.5360 4.4053 4.4053 5.0781 5.0781 5.4800 5.4800 5.6770 5.6770 6.4074 6.4074 6.5759 6.5759 9.8713 9.8713 10.0299 10.0299 11.1010 11.1010 11.3641 11.3641 11.7224 11.7224 k = 0.5000-0.8362-1.1142 ( 5038 PWs) bands (ev): -16.6394 -16.6394 -16.6357 -16.6357 -16.6327 -16.6327 -16.6313 -16.6313 -13.6736 -13.6736 -13.6709 -13.6709 -13.6607 -13.6607 -13.6567 -13.6567 -13.6436 -13.6436 -13.6419 -13.6419 -4.6966 -4.6966 -4.5918 -4.5918 -4.4764 -4.4764 -2.7702 -2.7702 -2.6053 -2.6053 2.5969 2.5969 3.3665 3.3665 3.5067 3.5067 4.3814 4.3814 5.0233 5.0233 5.4403 5.4403 5.6833 5.6833 6.4881 6.4881 6.5797 6.5797 9.8271 9.8271 10.0672 10.0672 11.0989 11.0989 11.4157 11.4157 11.7740 11.7740 k = 0.5000-0.8202-1.1410 ( 5052 PWs) bands (ev): -16.6394 -16.6394 -16.6355 -16.6355 -16.6328 -16.6328 -16.6313 -16.6313 -13.6732 -13.6732 -13.6706 -13.6706 -13.6612 -13.6612 -13.6567 -13.6567 -13.6436 -13.6436 -13.6421 -13.6421 -4.6791 -4.6791 -4.5812 -4.5812 -4.4645 -4.4645 -2.7781 -2.7781 -2.6330 -2.6330 2.6167 2.6167 3.3434 3.3434 3.4831 3.4831 4.3463 4.3463 4.9793 4.9793 5.3831 5.3831 5.7036 5.7036 6.5663 6.5663 6.5936 6.5936 9.7646 9.7646 10.1046 10.1046 11.0774 11.0774 11.4771 11.4771 11.8332 11.8332 k = 0.5000-0.8043-1.1678 ( 5044 PWs) bands (ev): -16.6394 -16.6394 -16.6354 -16.6354 -16.6328 -16.6328 -16.6314 -16.6314 -13.6727 -13.6727 -13.6703 -13.6703 -13.6616 -13.6616 -13.6568 -13.6568 -13.6436 -13.6436 -13.6423 -13.6423 -4.6616 -4.6616 -4.5716 -4.5716 -4.4536 -4.4536 -2.7854 -2.7854 -2.6598 -2.6598 2.6361 2.6361 3.3257 3.3257 3.4654 3.4654 4.3006 4.3006 4.9447 4.9447 5.3195 5.3195 5.7308 5.7308 6.6056 6.6056 6.6513 6.6513 9.6947 9.6947 10.1327 10.1327 11.0443 11.0443 11.5410 11.5410 11.8957 11.8957 k = 0.5000-0.7884-1.1946 ( 5044 PWs) bands (ev): -16.6393 -16.6393 -16.6352 -16.6352 -16.6329 -16.6329 -16.6314 -16.6314 -13.6722 -13.6722 -13.6701 -13.6701 -13.6620 -13.6620 -13.6568 -13.6568 -13.6436 -13.6436 -13.6425 -13.6425 -4.6443 -4.6443 -4.5634 -4.5634 -4.4441 -4.4441 -2.7918 -2.7918 -2.6850 -2.6850 2.6549 2.6549 3.3134 3.3134 3.4539 3.4539 4.2462 4.2462 4.9143 4.9143 5.2587 5.2587 5.7616 5.7616 6.6282 6.6282 6.7280 6.7280 9.6213 9.6213 10.1497 10.1497 11.0049 11.0049 11.6018 11.6018 11.9577 11.9577 k = 0.5000-0.7724-1.2214 ( 5038 PWs) bands (ev): -16.6393 -16.6393 -16.6351 -16.6351 -16.6330 -16.6330 -16.6314 -16.6314 -13.6717 -13.6717 -13.6700 -13.6700 -13.6624 -13.6624 -13.6568 -13.6568 -13.6436 -13.6436 -13.6427 -13.6427 -4.6276 -4.6276 -4.5567 -4.5567 -4.4363 -4.4363 -2.7971 -2.7971 -2.7083 -2.7083 2.6733 2.6733 3.3060 3.3060 3.4487 3.4487 4.1860 4.1860 4.8807 4.8807 5.2090 5.2090 5.7941 5.7941 6.6529 6.6529 6.8031 6.8031 9.5463 9.5463 10.1557 10.1557 10.9624 10.9624 11.6556 11.6556 12.0154 12.0154 k = 0.5000-0.7565-1.2481 ( 5052 PWs) bands (ev): -16.6393 -16.6393 -16.6350 -16.6350 -16.6331 -16.6331 -16.6314 -16.6314 -13.6713 -13.6713 -13.6699 -13.6699 -13.6627 -13.6627 -13.6568 -13.6568 -13.6436 -13.6436 -13.6429 -13.6429 -4.6119 -4.6119 -4.5518 -4.5518 -4.4305 -4.4305 -2.8010 -2.8010 -2.7289 -2.7289 2.6914 2.6914 3.3031 3.3031 3.4498 3.4498 4.1232 4.1232 4.8364 4.8364 5.1775 5.1775 5.8278 5.8278 6.6790 6.6790 6.8756 6.8756 9.4713 9.4713 10.1514 10.1514 10.9191 10.9191 11.6992 11.6992 12.0667 12.0667 k = 0.5000-0.7405-1.2749 ( 5046 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6331 -16.6331 -16.6315 -16.6315 -13.6709 -13.6709 -13.6699 -13.6699 -13.6630 -13.6630 -13.6569 -13.6569 -13.6435 -13.6435 -13.6430 -13.6430 -4.5979 -4.5979 -4.5486 -4.5486 -4.4269 -4.4269 -2.8031 -2.8031 -2.7462 -2.7462 2.7095 2.7095 3.3041 3.3041 3.4572 3.4572 4.0602 4.0602 4.7788 4.7788 5.1662 5.1662 5.8621 5.8621 6.7056 6.7056 6.9446 6.9446 9.3977 9.3977 10.1382 10.1382 10.8763 10.8763 11.7308 11.7308 12.1109 12.1109 k = 0.5000-0.7246-1.3017 ( 5042 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6332 -16.6332 -16.6315 -16.6315 -13.6706 -13.6706 -13.6700 -13.6700 -13.6632 -13.6632 -13.6569 -13.6569 -13.6435 -13.6435 -13.6430 -13.6430 -4.5867 -4.5867 -4.5469 -4.5469 -4.4254 -4.4254 -2.8033 -2.8033 -2.7596 -2.7596 2.7279 2.7279 3.3083 3.3083 3.4704 3.4704 3.9993 3.9993 4.7109 4.7109 5.1717 5.1717 5.8969 5.8969 6.7320 6.7320 7.0096 7.0096 9.3266 9.3266 10.1173 10.1173 10.8348 10.8348 11.7497 11.7497 12.1493 12.1493 k = 0.5000-0.7087-1.3285 ( 5036 PWs) bands (ev): -16.6393 -16.6393 -16.6348 -16.6348 -16.6332 -16.6332 -16.6315 -16.6315 -13.6704 -13.6704 -13.6701 -13.6701 -13.6633 -13.6633 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5803 -4.5803 -4.5460 -4.5460 -4.4256 -4.4256 -2.8012 -2.8012 -2.7687 -2.7687 2.7471 2.7471 3.3150 3.3150 3.4885 3.4885 3.9427 3.9427 4.6375 4.6375 5.1891 5.1891 5.9319 5.9319 6.7573 6.7573 7.0699 7.0699 9.2593 9.2593 10.0904 10.0904 10.7951 10.7951 11.7567 11.7567 12.1829 12.1829 k = 0.5000-0.6927-1.3553 ( 5032 PWs) bands (ev): -16.6393 -16.6393 -16.6348 -16.6348 -16.6332 -16.6332 -16.6315 -16.6315 -13.6704 -13.6704 -13.6701 -13.6701 -13.6633 -13.6633 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5804 -4.5804 -4.5456 -4.5456 -4.4268 -4.4268 -2.7967 -2.7967 -2.7728 -2.7728 2.7673 2.7673 3.3235 3.3235 3.5106 3.5106 3.8924 3.8924 4.5624 4.5624 5.2146 5.2146 5.9671 5.9671 6.7809 6.7809 7.1248 7.1248 9.1969 9.1969 10.0591 10.0591 10.7572 10.7572 11.7531 11.7531 12.2123 12.2123 k = 0.5000-0.6768-1.3820 ( 5032 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6332 -16.6332 -16.6315 -16.6315 -13.6707 -13.6707 -13.6699 -13.6699 -13.6632 -13.6632 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5870 -4.5870 -4.5477 -4.5477 -4.4274 -4.4274 -2.7895 -2.7895 -2.7718 -2.7718 2.7889 2.7889 3.3329 3.3329 3.5352 3.5352 3.8505 3.8505 4.4883 4.4883 5.2459 5.2459 6.0022 6.0022 6.8023 6.8023 7.1735 7.1735 9.1406 9.1406 10.0250 10.0250 10.7210 10.7210 11.7410 11.7410 12.2373 12.2373 k = 0.8229-0.6073-1.2539 ( 5032 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6332 -16.6332 -16.6315 -16.6315 -13.6707 -13.6707 -13.6699 -13.6699 -13.6632 -13.6632 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5870 -4.5870 -4.5477 -4.5477 -4.4274 -4.4274 -2.7895 -2.7895 -2.7718 -2.7718 2.7889 2.7889 3.3329 3.3329 3.5352 3.5352 3.8505 3.8505 4.4883 4.4883 5.2459 5.2459 6.0022 6.0022 6.8023 6.8023 7.1735 7.1735 9.1406 9.1406 10.0250 10.0250 10.7210 10.7210 11.7410 11.7410 12.2373 12.2373 k = 0.8163-0.5927-1.2270 ( 5030 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6331 -16.6331 -16.6315 -16.6315 -13.6710 -13.6710 -13.6698 -13.6698 -13.6630 -13.6630 -13.6569 -13.6569 -13.6435 -13.6435 -13.6430 -13.6430 -4.5991 -4.5991 -4.5553 -4.5553 -4.4259 -4.4259 -2.7794 -2.7794 -2.7652 -2.7652 2.8121 2.8121 3.3421 3.3421 3.5602 3.5602 3.8196 3.8196 4.4171 4.4171 5.2815 5.2815 6.0375 6.0375 6.8208 6.8208 7.2154 7.2154 9.0913 9.0913 9.9895 9.9895 10.6862 10.6862 11.7218 11.7218 12.2576 12.2576 k = 0.8097-0.5781-1.2001 ( 5028 PWs) bands (ev): -16.6393 -16.6393 -16.6350 -16.6350 -16.6331 -16.6331 -16.6314 -16.6314 -13.6714 -13.6714 -13.6698 -13.6698 -13.6628 -13.6628 -13.6568 -13.6568 -13.6435 -13.6435 -13.6430 -13.6430 -4.6156 -4.6156 -4.5702 -4.5702 -4.4218 -4.4218 -2.7663 -2.7663 -2.7530 -2.7530 2.8368 2.8368 3.3500 3.3500 3.5835 3.5835 3.8024 3.8024 4.3514 4.3514 5.3203 5.3203 6.0725 6.0725 6.8358 6.8358 7.2496 7.2496 9.0502 9.0502 9.9543 9.9543 10.6527 10.6527 11.6972 11.6972 12.2726 12.2726 k = 0.8031-0.5635-1.1732 ( 5028 PWs) bands (ev): -16.6393 -16.6393 -16.6351 -16.6351 -16.6330 -16.6330 -16.6314 -16.6314 -13.6718 -13.6718 -13.6698 -13.6698 -13.6625 -13.6625 -13.6568 -13.6568 -13.6435 -13.6435 -13.6430 -13.6430 -4.6362 -4.6362 -4.5922 -4.5922 -4.4155 -4.4155 -2.7502 -2.7502 -2.7353 -2.7353 2.8628 2.8628 3.3556 3.3556 3.6034 3.6034 3.8000 3.8000 4.2935 4.2935 5.3614 5.3614 6.1072 6.1072 6.8468 6.8468 7.2755 7.2755 9.0182 9.0182 9.9207 9.9207 10.6203 10.6203 11.6682 11.6682 12.2821 12.2821 k = 0.7965-0.5489-1.1463 ( 5036 PWs) bands (ev): -16.6394 -16.6394 -16.6352 -16.6352 -16.6330 -16.6330 -16.6314 -16.6314 -13.6722 -13.6722 -13.6698 -13.6698 -13.6621 -13.6621 -13.6568 -13.6568 -13.6435 -13.6435 -13.6429 -13.6429 -4.6607 -4.6607 -4.6206 -4.6206 -4.4078 -4.4078 -2.7313 -2.7313 -2.7120 -2.7120 2.8897 2.8897 3.3589 3.3589 3.6200 3.6200 3.8105 3.8105 4.2462 4.2462 5.4044 5.4044 6.1415 6.1415 6.8534 6.8534 7.2927 7.2927 8.9958 8.9958 9.8896 9.8896 10.5890 10.5890 11.6357 11.6357 12.2857 12.2857 k = 0.7899-0.5343-1.1194 ( 5028 PWs) bands (ev): -16.6394 -16.6394 -16.6353 -16.6353 -16.6329 -16.6329 -16.6314 -16.6314 -13.6726 -13.6726 -13.6698 -13.6698 -13.6618 -13.6618 -13.6568 -13.6568 -13.6435 -13.6435 -13.6429 -13.6429 -4.6889 -4.6889 -4.6542 -4.6542 -4.3995 -4.3995 -2.7097 -2.7097 -2.6832 -2.6832 2.9169 2.9169 3.3611 3.3611 3.6341 3.6341 3.8296 3.8296 4.2131 4.2131 5.4487 5.4487 6.1752 6.1752 6.8553 6.8553 7.3012 7.3012 8.9832 8.9832 9.8620 9.8620 10.5588 10.5588 11.6005 11.6005 12.2835 12.2835 k = 0.7833-0.5197-1.0925 ( 5022 PWs) bands (ev): -16.6395 -16.6395 -16.6355 -16.6355 -16.6328 -16.6328 -16.6314 -16.6314 -13.6730 -13.6730 -13.6699 -13.6699 -13.6614 -13.6614 -13.6568 -13.6568 -13.6436 -13.6436 -13.6429 -13.6429 -4.7208 -4.7208 -4.6922 -4.6922 -4.3914 -4.3914 -2.6856 -2.6856 -2.6493 -2.6493 2.9434 2.9434 3.3642 3.3642 3.6451 3.6451 3.8532 3.8532 4.1976 4.1976 5.4941 5.4941 6.2081 6.2081 6.8521 6.8521 7.3013 7.3013 8.9802 8.9802 9.8383 9.8383 10.5297 10.5297 11.5631 11.5631 12.2755 12.2755 k = 0.7767-0.5051-1.0656 ( 5022 PWs) bands (ev): -16.6395 -16.6395 -16.6356 -16.6356 -16.6328 -16.6328 -16.6313 -16.6313 -13.6733 -13.6733 -13.6699 -13.6699 -13.6611 -13.6611 -13.6568 -13.6568 -13.6436 -13.6436 -13.6429 -13.6429 -4.7565 -4.7565 -4.7332 -4.7332 -4.3838 -4.3838 -2.6592 -2.6592 -2.6105 -2.6105 2.9683 2.9683 3.3709 3.3709 3.6509 3.6509 3.8801 3.8801 4.2018 4.2018 5.5401 5.5401 6.2402 6.2402 6.8438 6.8438 7.2937 7.2937 8.9862 8.9862 9.8186 9.8186 10.5021 10.5021 11.5239 11.5239 12.2617 12.2617 k = 0.7702-0.4905-1.0387 ( 5026 PWs) bands (ev): -16.6396 -16.6396 -16.6358 -16.6358 -16.6327 -16.6327 -16.6313 -16.6313 -13.6736 -13.6736 -13.6700 -13.6700 -13.6608 -13.6608 -13.6569 -13.6569 -13.6437 -13.6437 -13.6429 -13.6429 -4.7965 -4.7965 -4.7760 -4.7760 -4.3770 -4.3770 -2.6308 -2.6308 -2.5672 -2.5672 2.9908 2.9908 3.3830 3.3830 3.6499 3.6499 3.9122 3.9122 4.2243 4.2243 5.5866 5.5866 6.2712 6.2712 6.8306 6.8306 7.2792 7.2792 9.0003 9.0003 9.8031 9.8031 10.4763 10.4763 11.4835 11.4835 12.2422 12.2422 k = 0.7636-0.4759-1.0118 ( 5034 PWs) bands (ev): -16.6396 -16.6396 -16.6360 -16.6360 -16.6327 -16.6327 -16.6313 -16.6313 -13.6740 -13.6740 -13.6701 -13.6701 -13.6604 -13.6604 -13.6569 -13.6569 -13.6438 -13.6438 -13.6429 -13.6429 -4.8414 -4.8414 -4.8193 -4.8193 -4.3713 -4.3713 -2.6006 -2.6006 -2.5198 -2.5198 3.0102 3.0102 3.4016 3.4016 3.6433 3.6433 3.9512 3.9512 4.2618 4.2618 5.6333 5.6333 6.3009 6.3009 6.8126 6.8126 7.2589 7.2589 9.0215 9.0215 9.7910 9.7910 10.4531 10.4531 11.4422 11.4422 12.2171 12.2171 k = 0.7570-0.4614-0.9849 ( 5034 PWs) bands (ev): -16.6397 -16.6397 -16.6361 -16.6361 -16.6326 -16.6326 -16.6313 -16.6313 -13.6742 -13.6742 -13.6701 -13.6701 -13.6601 -13.6601 -13.6569 -13.6569 -13.6439 -13.6439 -13.6430 -13.6430 -4.8904 -4.8904 -4.8629 -4.8629 -4.3667 -4.3667 -2.5690 -2.5690 -2.4686 -2.4686 3.0269 3.0269 3.4257 3.4257 3.6351 3.6351 3.9977 3.9977 4.3101 4.3101 5.6797 5.6797 6.3289 6.3289 6.7905 6.7905 7.2338 7.2338 9.0483 9.0483 9.7817 9.7817 10.4332 10.4332 11.4002 11.4002 12.1868 12.1868 k = 0.7504-0.4468-0.9580 ( 5038 PWs) bands (ev): -16.6398 -16.6398 -16.6363 -16.6363 -16.6326 -16.6326 -16.6313 -16.6313 -13.6745 -13.6745 -13.6701 -13.6701 -13.6598 -13.6598 -13.6569 -13.6569 -13.6440 -13.6440 -13.6431 -13.6431 -4.9422 -4.9422 -4.9073 -4.9073 -4.3634 -4.3634 -2.5362 -2.5362 -2.4140 -2.4140 3.0413 3.0413 3.4525 3.4525 3.6313 3.6313 4.0510 4.0510 4.3663 4.3663 5.7258 5.7258 6.3550 6.3550 6.7649 6.7649 7.2051 7.2051 9.0798 9.0798 9.7741 9.7741 10.4175 10.4175 11.3579 11.3579 12.1513 12.1513 k = 0.7438-0.4322-0.9311 ( 5036 PWs) bands (ev): -16.6398 -16.6398 -16.6365 -16.6365 -16.6325 -16.6325 -16.6312 -16.6312 -13.6747 -13.6747 -13.6702 -13.6702 -13.6595 -13.6595 -13.6569 -13.6569 -13.6442 -13.6442 -13.6432 -13.6432 -4.9961 -4.9961 -4.9527 -4.9527 -4.3614 -4.3614 -2.5026 -2.5026 -2.3563 -2.3563 3.0545 3.0545 3.4765 3.4765 3.6391 3.6391 4.1101 4.1101 4.4281 4.4281 5.7712 5.7712 6.3784 6.3784 6.7371 6.7371 7.1738 7.1738 9.1145 9.1145 9.7666 9.7666 10.4070 10.4070 11.3156 11.3156 12.1109 12.1109 k = 0.7372-0.4176-0.9042 ( 5042 PWs) bands (ev): -16.6399 -16.6399 -16.6367 -16.6367 -16.6325 -16.6325 -16.6312 -16.6312 -13.6748 -13.6748 -13.6702 -13.6702 -13.6593 -13.6593 -13.6570 -13.6570 -13.6443 -13.6443 -13.6433 -13.6433 -5.0512 -5.0512 -4.9993 -4.9993 -4.3608 -4.3608 -2.4684 -2.4684 -2.2958 -2.2958 3.0676 3.0676 3.4928 3.4928 3.6644 3.6644 4.1743 4.1743 4.4941 4.4941 5.8156 5.8156 6.3981 6.3981 6.7086 6.7086 7.1408 7.1408 9.1514 9.1514 9.7577 9.7577 10.4029 10.4029 11.2736 11.2736 12.0659 12.0659 k = 0.7306-0.4030-0.8773 ( 5042 PWs) bands (ev): -16.6400 -16.6400 -16.6369 -16.6369 -16.6324 -16.6324 -16.6312 -16.6312 -13.6749 -13.6749 -13.6702 -13.6702 -13.6590 -13.6590 -13.6570 -13.6570 -13.6446 -13.6446 -13.6434 -13.6434 -5.1072 -5.1072 -5.0467 -5.0467 -4.3616 -4.3616 -2.4341 -2.4341 -2.2329 -2.2329 3.0814 3.0814 3.5026 3.5026 3.7065 3.7065 4.2426 4.2426 4.5635 4.5635 5.8587 5.8587 6.4128 6.4128 6.6816 6.6816 7.1069 7.1069 9.1894 9.1894 9.7462 9.7462 10.4058 10.4058 11.2319 11.2319 12.0166 12.0166 k = 0.7240-0.3884-0.8504 ( 5050 PWs) bands (ev): -16.6400 -16.6400 -16.6371 -16.6371 -16.6324 -16.6324 -16.6312 -16.6312 -13.6750 -13.6750 -13.6702 -13.6702 -13.6588 -13.6588 -13.6570 -13.6570 -13.6448 -13.6448 -13.6436 -13.6436 -5.1638 -5.1638 -5.0949 -5.0949 -4.3637 -4.3637 -2.3998 -2.3998 -2.1678 -2.1678 3.0966 3.0966 3.5109 3.5109 3.7605 3.7605 4.3147 4.3147 4.6354 4.6354 5.9001 5.9001 6.4201 6.4201 6.6589 6.6589 7.0730 7.0730 9.2276 9.2276 9.7309 9.7309 10.4162 10.4162 11.1908 11.1908 11.9634 11.9634 k = 0.7174-0.3738-0.8235 ( 5050 PWs) bands (ev): -16.6401 -16.6401 -16.6373 -16.6373 -16.6324 -16.6324 -16.6311 -16.6311 -13.6751 -13.6751 -13.6701 -13.6701 -13.6586 -13.6586 -13.6571 -13.6571 -13.6450 -13.6450 -13.6437 -13.6437 -5.2205 -5.2205 -5.1436 -5.1436 -4.3672 -4.3672 -2.3658 -2.3658 -2.1008 -2.1008 3.1138 3.1138 3.5218 3.5218 3.8222 3.8222 4.3901 4.3901 4.7095 4.7095 5.9393 5.9393 6.4177 6.4177 6.6438 6.6438 7.0399 7.0399 9.2648 9.2648 9.7112 9.7112 10.4340 10.4340 11.1504 11.1504 11.9067 11.9067 k = 0.7109-0.3592-0.7966 ( 5056 PWs) bands (ev): -16.6402 -16.6402 -16.6375 -16.6375 -16.6324 -16.6324 -16.6311 -16.6311 -13.6751 -13.6751 -13.6701 -13.6701 -13.6585 -13.6585 -13.6571 -13.6571 -13.6453 -13.6453 -13.6439 -13.6439 -5.2772 -5.2772 -5.1926 -5.1926 -4.3720 -4.3720 -2.3326 -2.3326 -2.0321 -2.0321 3.1335 3.1335 3.5376 3.5376 3.8888 3.8888 4.4682 4.4682 4.7854 4.7854 5.9759 5.9759 6.4048 6.4048 6.6379 6.6379 7.0083 7.0083 9.3002 9.3002 9.6870 9.6870 10.4585 10.4585 11.1107 11.1107 11.8470 11.8470 k = 0.7043-0.3446-0.7697 ( 5054 PWs) bands (ev): -16.6403 -16.6403 -16.6377 -16.6377 -16.6324 -16.6324 -16.6311 -16.6311 -13.6751 -13.6751 -13.6701 -13.6701 -13.6583 -13.6583 -13.6571 -13.6571 -13.6456 -13.6456 -13.6441 -13.6441 -5.3336 -5.3336 -5.2417 -5.2417 -4.3780 -4.3780 -2.3001 -2.3001 -1.9622 -1.9622 3.1560 3.1560 3.5596 3.5596 3.9588 3.9588 4.5488 4.5488 4.8628 4.8628 6.0093 6.0093 6.3831 6.3831 6.6403 6.6403 6.9790 6.9790 9.3329 9.3329 9.6585 9.6585 10.4886 10.4886 11.0719 11.0719 11.7849 11.7849 k = 0.6977-0.3300-0.7428 ( 5054 PWs) bands (ev): -16.6404 -16.6404 -16.6380 -16.6380 -16.6324 -16.6324 -16.6310 -16.6310 -13.6750 -13.6750 -13.6700 -13.6700 -13.6582 -13.6582 -13.6571 -13.6571 -13.6460 -13.6460 -13.6444 -13.6444 -5.3896 -5.3896 -5.2907 -5.2907 -4.3853 -4.3853 -2.2688 -2.2688 -1.8911 -1.8911 3.1818 3.1818 3.5884 3.5884 4.0309 4.0309 4.6315 4.6315 4.9415 4.9415 6.0385 6.0385 6.3560 6.3560 6.6486 6.6486 6.9529 6.9529 9.3616 9.3616 9.6263 9.6263 10.5226 10.5226 11.0340 11.0340 11.7212 11.7212 k = 0.6911-0.3155-0.7159 ( 5054 PWs) bands (ev): -16.6404 -16.6404 -16.6382 -16.6382 -16.6323 -16.6323 -16.6310 -16.6310 -13.6750 -13.6750 -13.6700 -13.6700 -13.6581 -13.6581 -13.6571 -13.6571 -13.6463 -13.6463 -13.6446 -13.6446 -5.4448 -5.4448 -5.3395 -5.3395 -4.3936 -4.3936 -2.2388 -2.2388 -1.8191 -1.8191 3.2113 3.2113 3.6241 3.6241 4.1042 4.1042 4.7158 4.7158 5.0212 5.0212 6.0627 6.0627 6.3273 6.3273 6.6605 6.6605 6.9308 6.9308 9.3852 9.3852 9.5915 9.5915 10.5585 10.5585 10.9970 10.9970 11.6568 11.6568 k = 0.6845-0.3009-0.6890 ( 5052 PWs) bands (ev): -16.6405 -16.6405 -16.6384 -16.6384 -16.6323 -16.6323 -16.6310 -16.6310 -13.6749 -13.6749 -13.6699 -13.6699 -13.6580 -13.6580 -13.6570 -13.6570 -13.6467 -13.6467 -13.6449 -13.6449 -5.4993 -5.4993 -5.3878 -5.3878 -4.4030 -4.4030 -2.2103 -2.2103 -1.7466 -1.7466 3.2449 3.2449 3.6668 3.6668 4.1779 4.1779 4.8013 4.8013 5.1017 5.1017 6.0803 6.0803 6.3001 6.3001 6.6743 6.6743 6.9134 6.9134 9.4017 9.4017 9.5558 9.5558 10.5937 10.5937 10.9616 10.9616 11.5927 11.5927 k = 0.6779-0.2863-0.6621 ( 5060 PWs) bands (ev): -16.6406 -16.6406 -16.6387 -16.6387 -16.6324 -16.6324 -16.6310 -16.6310 -13.6748 -13.6748 -13.6699 -13.6699 -13.6580 -13.6580 -13.6570 -13.6570 -13.6470 -13.6470 -13.6452 -13.6452 -5.5527 -5.5527 -5.4355 -5.4355 -4.4133 -4.4133 -2.1833 -2.1833 -1.6736 -1.6736 3.2830 3.2830 3.7162 3.7162 4.2511 4.2511 4.8876 4.8876 5.1828 5.1828 6.0899 6.0899 6.2773 6.2773 6.6893 6.6893 6.9015 6.9015 9.4073 9.4073 9.5225 9.5225 10.6244 10.6244 10.9292 10.9292 11.5300 11.5300 k = 0.6713-0.2717-0.6352 ( 5058 PWs) bands (ev): -16.6407 -16.6407 -16.6389 -16.6389 -16.6324 -16.6324 -16.6309 -16.6309 -13.6747 -13.6747 -13.6698 -13.6698 -13.6579 -13.6579 -13.6569 -13.6569 -13.6474 -13.6474 -13.6455 -13.6455 -5.6050 -5.6050 -5.4824 -5.4824 -4.4245 -4.4245 -2.1581 -2.1581 -1.6006 -1.6006 3.3259 3.3259 3.7721 3.7721 4.3232 4.3232 4.9740 4.9740 5.2642 5.2642 6.0904 6.0904 6.2610 6.2610 6.7049 6.7049 6.8958 6.8958 9.3958 9.3958 9.4977 9.4977 10.6445 10.6445 10.9031 10.9031 11.4700 11.4700 k = 0.6647-0.2571-0.6083 ( 5060 PWs) bands (ev): -16.6408 -16.6408 -16.6391 -16.6391 -16.6324 -16.6324 -16.6309 -16.6309 -13.6745 -13.6745 -13.6698 -13.6698 -13.6579 -13.6579 -13.6569 -13.6569 -13.6478 -13.6478 -13.6458 -13.6458 -5.6561 -5.6561 -5.5285 -5.5285 -4.4364 -4.4364 -2.1346 -2.1346 -1.5276 -1.5276 3.3740 3.3740 3.8342 3.8342 4.3935 4.3935 5.0599 5.0599 5.3455 5.3455 6.0828 6.0828 6.2515 6.2515 6.7210 6.7210 6.8965 6.8965 9.3652 9.3652 9.4832 9.4832 10.6463 10.6463 10.8880 10.8880 11.4140 11.4140 k = 0.6581-0.2425-0.5814 ( 5054 PWs) bands (ev): -16.6409 -16.6409 -16.6394 -16.6394 -16.6324 -16.6324 -16.6309 -16.6309 -13.6744 -13.6744 -13.6698 -13.6698 -13.6578 -13.6578 -13.6568 -13.6568 -13.6482 -13.6482 -13.6461 -13.6461 -5.7059 -5.7059 -5.5736 -5.5736 -4.4490 -4.4490 -2.1130 -2.1130 -1.4549 -1.4549 3.4274 3.4274 3.9021 3.9021 4.4612 4.4612 5.1445 5.1445 5.4262 5.4262 6.0701 6.0701 6.2471 6.2471 6.7377 6.7377 6.9038 6.9038 9.3217 9.3217 9.4723 9.4723 10.6253 10.6253 10.8854 10.8854 11.3633 11.3633 k = 0.6516-0.2279-0.5546 ( 5058 PWs) bands (ev): -16.6410 -16.6410 -16.6396 -16.6396 -16.6324 -16.6324 -16.6308 -16.6308 -13.6742 -13.6742 -13.6698 -13.6698 -13.6577 -13.6577 -13.6567 -13.6567 -13.6485 -13.6485 -13.6464 -13.6464 -5.7542 -5.7542 -5.6176 -5.6176 -4.4621 -4.4621 -2.0932 -2.0932 -1.3829 -1.3829 3.4863 3.4863 3.9756 3.9756 4.5257 4.5257 5.2268 5.2268 5.5056 5.5056 6.0565 6.0565 6.2455 6.2455 6.7552 6.7552 6.9176 6.9176 9.2712 9.2712 9.4591 9.4591 10.5845 10.5845 10.8888 10.8888 11.3193 11.3193 k = 0.6450-0.2133-0.5277 ( 5054 PWs) bands (ev): -16.6411 -16.6411 -16.6398 -16.6398 -16.6324 -16.6324 -16.6308 -16.6308 -13.6741 -13.6741 -13.6699 -13.6699 -13.6576 -13.6576 -13.6566 -13.6566 -13.6489 -13.6489 -13.6467 -13.6467 -5.8009 -5.8009 -5.6604 -5.6604 -4.4756 -4.4756 -2.0753 -2.0753 -1.3116 -1.3116 3.5507 3.5507 4.0542 4.0542 4.5863 4.5863 5.3055 5.3055 5.5826 5.5826 6.0455 6.0455 6.2455 6.2455 6.7739 6.7739 6.9375 6.9375 9.2158 9.2158 9.4410 9.4410 10.5299 10.5299 10.8883 10.8883 11.2835 11.2835 k = 0.6384-0.1987-0.5008 ( 5056 PWs) bands (ev): -16.6412 -16.6412 -16.6401 -16.6401 -16.6324 -16.6324 -16.6308 -16.6308 -13.6740 -13.6740 -13.6699 -13.6699 -13.6575 -13.6575 -13.6565 -13.6565 -13.6492 -13.6492 -13.6470 -13.6470 -5.8461 -5.8461 -5.7018 -5.7018 -4.4894 -4.4894 -2.0592 -2.0592 -1.2414 -1.2414 3.6207 3.6207 4.1377 4.1377 4.6427 4.6427 5.3794 5.3794 5.6555 5.6555 6.0404 6.0404 6.2467 6.2467 6.7943 6.7943 6.9632 6.9632 9.1566 9.1566 9.4169 9.4169 10.4667 10.4667 10.8759 10.8759 11.2571 11.2571 k = 0.6318-0.1841-0.4739 ( 5064 PWs) bands (ev): -16.6413 -16.6413 -16.6403 -16.6403 -16.6324 -16.6324 -16.6308 -16.6308 -13.6739 -13.6739 -13.6700 -13.6700 -13.6573 -13.6573 -13.6564 -13.6564 -13.6496 -13.6496 -13.6473 -13.6473 -5.8895 -5.8895 -5.7418 -5.7418 -4.5033 -4.5033 -2.0449 -2.0449 -1.1725 -1.1725 3.6962 3.6962 4.2256 4.2256 4.6943 4.6943 5.4468 5.4468 5.7223 5.7223 6.0442 6.0442 6.2495 6.2495 6.8170 6.8170 6.9941 6.9941 9.0936 9.0936 9.3866 9.3866 10.3980 10.3980 10.8477 10.8477 11.2398 11.2398 k = 0.6252-0.1696-0.4470 ( 5062 PWs) bands (ev): -16.6414 -16.6414 -16.6405 -16.6405 -16.6324 -16.6324 -16.6307 -16.6307 -13.6738 -13.6738 -13.6702 -13.6702 -13.6571 -13.6571 -13.6563 -13.6563 -13.6499 -13.6499 -13.6476 -13.6476 -5.9311 -5.9311 -5.7804 -5.7804 -4.5174 -4.5174 -2.0323 -2.0323 -1.1051 -1.1051 3.7771 3.7771 4.3176 4.3176 4.7409 4.7409 5.5062 5.5062 5.7808 5.7808 6.0591 6.0591 6.2547 6.2547 6.8426 6.8426 7.0298 7.0298 9.0268 9.0268 9.3498 9.3498 10.3266 10.3266 10.8040 10.8040 11.2286 11.2286 k = 0.6186-0.1550-0.4201 ( 5058 PWs) bands (ev): -16.6415 -16.6415 -16.6408 -16.6408 -16.6324 -16.6324 -16.6307 -16.6307 -13.6738 -13.6738 -13.6703 -13.6703 -13.6570 -13.6570 -13.6562 -13.6562 -13.6502 -13.6502 -13.6479 -13.6479 -5.9710 -5.9710 -5.8173 -5.8173 -4.5314 -4.5314 -2.0213 -2.0213 -1.0394 -1.0394 3.8634 3.8634 4.4130 4.4130 4.7824 4.7824 5.5563 5.5563 5.8301 5.8301 6.0852 6.0852 6.2633 6.2633 6.8719 6.8719 7.0699 7.0699 8.9561 8.9561 9.3068 9.3068 10.2543 10.2543 10.7481 10.7481 11.2198 11.2198 k = 0.6120-0.1404-0.3932 ( 5058 PWs) bands (ev): -16.6417 -16.6417 -16.6410 -16.6410 -16.6324 -16.6324 -16.6307 -16.6307 -13.6737 -13.6737 -13.6705 -13.6705 -13.6567 -13.6567 -13.6560 -13.6560 -13.6505 -13.6505 -13.6482 -13.6482 -6.0089 -6.0089 -5.8526 -5.8526 -4.5454 -4.5454 -2.0118 -2.0118 -0.9757 -0.9757 3.9546 3.9546 4.5110 4.5110 4.8193 4.8193 5.5966 5.5966 5.8716 5.8716 6.1192 6.1192 6.2768 6.2768 6.9053 6.9053 7.1138 7.1138 8.8814 8.8814 9.2580 9.2580 10.1828 10.1828 10.6842 10.6842 11.2103 11.2103 k = 0.6054-0.1258-0.3663 ( 5064 PWs) bands (ev): -16.6418 -16.6418 -16.6412 -16.6412 -16.6323 -16.6323 -16.6307 -16.6307 -13.6737 -13.6737 -13.6707 -13.6707 -13.6565 -13.6565 -13.6559 -13.6559 -13.6508 -13.6508 -13.6485 -13.6485 -6.0450 -6.0450 -5.8862 -5.8862 -4.5590 -4.5590 -2.0037 -2.0037 -0.9142 -0.9142 4.0507 4.0507 4.6102 4.6102 4.8526 4.8526 5.6278 5.6278 5.9077 5.9077 6.1551 6.1551 6.2964 6.2964 6.9432 6.9432 7.1611 7.1611 8.8029 8.8029 9.2039 9.2039 10.1134 10.1134 10.6158 10.6158 11.1986 11.1986 k = 0.5988-0.1112-0.3394 ( 5074 PWs) bands (ev): -16.6419 -16.6419 -16.6414 -16.6414 -16.6323 -16.6323 -16.6306 -16.6306 -13.6737 -13.6737 -13.6709 -13.6709 -13.6563 -13.6563 -13.6557 -13.6557 -13.6511 -13.6511 -13.6488 -13.6488 -6.0790 -6.0790 -5.9181 -5.9181 -4.5724 -4.5724 -1.9969 -1.9969 -0.8551 -0.8551 4.1513 4.1513 4.7071 4.7071 4.8860 4.8860 5.6515 5.6515 5.9402 5.9402 6.1884 6.1884 6.3219 6.3219 6.9853 6.9853 7.2110 7.2110 8.7210 8.7210 9.1453 9.1453 10.0469 10.0469 10.5461 10.5461 11.1843 11.1843 k = 0.5922-0.0966-0.3125 ( 5058 PWs) bands (ev): -16.6420 -16.6420 -16.6416 -16.6416 -16.6323 -16.6323 -16.6306 -16.6306 -13.6738 -13.6738 -13.6711 -13.6711 -13.6561 -13.6561 -13.6555 -13.6555 -13.6513 -13.6513 -13.6490 -13.6490 -6.1110 -6.1110 -5.9481 -5.9481 -4.5853 -4.5853 -1.9912 -1.9912 -0.7987 -0.7987 4.2561 4.2561 4.7913 4.7913 4.9295 4.9295 5.6699 5.6699 5.9697 5.9697 6.2175 6.2175 6.3515 6.3515 7.0305 7.0305 7.2628 7.2628 8.6364 8.6364 9.0834 9.0834 9.9839 9.9839 10.4774 10.4774 11.1675 11.1675 k = 0.5857-0.0820-0.2856 ( 5068 PWs) bands (ev): -16.6421 -16.6421 -16.6417 -16.6417 -16.6323 -16.6323 -16.6306 -16.6306 -13.6738 -13.6738 -13.6713 -13.6713 -13.6558 -13.6558 -13.6553 -13.6553 -13.6515 -13.6515 -13.6493 -13.6493 -6.1410 -6.1410 -5.9762 -5.9762 -4.5978 -4.5978 -1.9865 -1.9865 -0.7452 -0.7452 4.3645 4.3645 4.8456 4.8456 5.0008 5.0008 5.6847 5.6847 5.9962 5.9962 6.2430 6.2430 6.3822 6.3822 7.0763 7.0763 7.3155 7.3155 8.5506 8.5506 9.0196 9.0196 9.9247 9.9247 10.4118 10.4118 11.1486 11.1486 k = 0.5791-0.0674-0.2587 ( 5074 PWs) bands (ev): -16.6422 -16.6422 -16.6419 -16.6419 -16.6323 -16.6323 -16.6306 -16.6306 -13.6739 -13.6739 -13.6716 -13.6716 -13.6556 -13.6556 -13.6551 -13.6551 -13.6517 -13.6517 -13.6495 -13.6495 -6.1688 -6.1688 -6.0025 -6.0025 -4.6096 -4.6096 -1.9828 -1.9828 -0.6947 -0.6947 4.4760 4.4760 4.8728 4.8728 5.0971 5.0971 5.6973 5.6973 6.0198 6.0198 6.2664 6.2664 6.4113 6.4113 7.1190 7.1190 7.3681 7.3681 8.4656 8.4656 8.9558 8.9558 9.8694 9.8694 10.3509 10.3509 11.1279 11.1279 k = 0.5725-0.0528-0.2318 ( 5072 PWs) bands (ev): -16.6423 -16.6423 -16.6421 -16.6421 -16.6323 -16.6323 -16.6306 -16.6306 -13.6740 -13.6740 -13.6718 -13.6718 -13.6554 -13.6554 -13.6549 -13.6549 -13.6519 -13.6519 -13.6497 -13.6497 -6.1945 -6.1945 -6.0267 -6.0267 -4.6208 -4.6208 -1.9799 -1.9799 -0.6474 -0.6474 4.5896 4.5896 4.8878 4.8878 5.2040 5.2040 5.7088 5.7088 6.0407 6.0407 6.2881 6.2881 6.4379 6.4379 7.1539 7.1539 7.4190 7.4190 8.3841 8.3841 8.8943 8.8943 9.8178 9.8178 10.2961 10.2961 11.1058 11.1058 k = 0.5659-0.0382-0.2049 ( 5070 PWs) bands (ev): -16.6424 -16.6424 -16.6422 -16.6422 -16.6323 -16.6323 -16.6306 -16.6306 -13.6741 -13.6741 -13.6720 -13.6720 -13.6552 -13.6552 -13.6548 -13.6548 -13.6520 -13.6520 -13.6499 -13.6499 -6.2181 -6.2181 -6.0490 -6.0490 -4.6313 -4.6313 -1.9776 -1.9776 -0.6037 -0.6037 4.7032 4.7032 4.8987 4.8987 5.3143 5.3143 5.7198 5.7198 6.0592 6.0592 6.3084 6.3084 6.4616 6.4616 7.1754 7.1754 7.4663 7.4663 8.3093 8.3093 8.8383 8.8383 9.7696 9.7696 10.2486 10.2486 11.0827 11.0827 k = 0.5593-0.0236-0.1780 ( 5074 PWs) bands (ev): -16.6425 -16.6425 -16.6423 -16.6423 -16.6323 -16.6323 -16.6306 -16.6306 -13.6743 -13.6743 -13.6722 -13.6722 -13.6550 -13.6550 -13.6546 -13.6546 -13.6521 -13.6521 -13.6500 -13.6500 -6.2395 -6.2395 -6.0693 -6.0693 -4.6409 -4.6409 -1.9759 -1.9759 -0.5635 -0.5635 4.8085 4.8085 4.9158 4.9158 5.4246 5.4246 5.7315 5.7315 6.0755 6.0755 6.3273 6.3273 6.4830 6.4830 7.1782 7.1782 7.5072 7.5072 8.2443 8.2443 8.7916 8.7916 9.7241 9.7241 10.2096 10.2096 11.0584 11.0584 k = 0.5527-0.0091-0.1511 ( 5080 PWs) bands (ev): -16.6426 -16.6426 -16.6424 -16.6424 -16.6322 -16.6322 -16.6305 -16.6305 -13.6744 -13.6744 -13.6724 -13.6724 -13.6548 -13.6548 -13.6544 -13.6544 -13.6522 -13.6522 -13.6502 -13.6502 -6.2587 -6.2587 -6.0874 -6.0874 -4.6497 -4.6497 -1.9746 -1.9746 -0.5271 -0.5271 4.8673 4.8673 4.9778 4.9778 5.5309 5.5309 5.7460 5.7460 6.0900 6.0900 6.3445 6.3445 6.5027 6.5027 7.1587 7.1587 7.5383 7.5383 8.1915 8.1915 8.7581 8.7581 9.6807 9.6807 10.1799 10.1799 11.0322 11.0322 k = 0.5461 0.0055-0.1242 ( 5078 PWs) bands (ev): -16.6427 -16.6427 -16.6425 -16.6425 -16.6322 -16.6322 -16.6305 -16.6305 -13.6745 -13.6745 -13.6726 -13.6726 -13.6546 -13.6546 -13.6543 -13.6543 -13.6522 -13.6522 -13.6503 -13.6503 -6.2757 -6.2757 -6.1036 -6.1036 -4.6576 -4.6576 -1.9738 -1.9738 -0.4946 -0.4946 4.8798 4.8798 5.0839 5.0839 5.6244 5.6244 5.7707 5.7707 6.1028 6.1028 6.3603 6.3603 6.5215 6.5215 7.1161 7.1161 7.5558 7.5558 8.1519 8.1519 8.7408 8.7408 9.6389 9.6389 10.1605 10.1605 11.0012 11.0012 k = 0.5395 0.0201-0.0973 ( 5084 PWs) bands (ev): -16.6428 -16.6428 -16.6426 -16.6426 -16.6322 -16.6322 -16.6305 -16.6305 -13.6746 -13.6746 -13.6727 -13.6727 -13.6544 -13.6544 -13.6542 -13.6542 -13.6523 -13.6523 -13.6505 -13.6505 -6.2905 -6.2905 -6.1176 -6.1176 -4.6645 -4.6645 -1.9732 -1.9732 -0.4662 -0.4662 4.8821 4.8821 5.1971 5.1971 5.6855 5.6855 5.8235 5.8235 6.1139 6.1139 6.3745 6.3745 6.5403 6.5403 7.0526 7.0526 7.5568 7.5568 8.1253 8.1253 8.7406 8.7406 9.5982 9.5982 10.1519 10.1519 10.9573 10.9573 k = 0.5329 0.0347-0.0704 ( 5078 PWs) bands (ev): -16.6428 -16.6428 -16.6427 -16.6427 -16.6322 -16.6322 -16.6305 -16.6305 -13.6747 -13.6747 -13.6729 -13.6729 -13.6543 -13.6543 -13.6542 -13.6542 -13.6523 -13.6523 -13.6506 -13.6506 -6.3030 -6.3030 -6.1294 -6.1294 -4.6705 -4.6705 -1.9728 -1.9728 -0.4420 -0.4420 4.8819 4.8819 5.3080 5.3080 5.7115 5.7115 5.9053 5.9053 6.1234 6.1234 6.3876 6.3876 6.5597 6.5597 6.9729 6.9729 7.5407 7.5407 8.1103 8.1103 8.7556 8.7556 9.5587 9.5587 10.1538 10.1538 10.8956 10.8956 k = 0.5264 0.0493-0.0435 ( 5074 PWs) bands (ev): -16.6429 -16.6429 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6748 -13.6748 -13.6730 -13.6730 -13.6542 -13.6542 -13.6541 -13.6541 -13.6523 -13.6523 -13.6506 -13.6506 -6.3132 -6.3132 -6.1392 -6.1392 -4.6754 -4.6754 -1.9726 -1.9726 -0.4220 -0.4220 4.8808 4.8808 5.4122 5.4122 5.7220 5.7220 5.9942 5.9942 6.1313 6.1313 6.4001 6.4001 6.5802 6.5802 6.8823 6.8823 7.5107 7.5107 8.1045 8.1045 8.7811 8.7811 9.5210 9.5210 10.1656 10.1656 10.8250 10.8250 k = 0.5198 0.0639-0.0166 ( 5070 PWs) bands (ev): -16.6429 -16.6429 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6749 -13.6749 -13.6731 -13.6731 -13.6541 -13.6541 -13.6541 -13.6541 -13.6523 -13.6523 -13.6507 -13.6507 -6.3212 -6.3212 -6.1468 -6.1468 -4.6792 -4.6792 -1.9725 -1.9725 -0.4064 -0.4064 4.8795 4.8795 5.5054 5.5054 5.7253 5.7253 6.0785 6.0785 6.1376 6.1376 6.4136 6.4136 6.6011 6.6011 6.7864 6.7864 7.4735 7.4735 8.1044 8.1044 8.8114 8.8114 9.4867 9.4867 10.1849 10.1849 10.7554 10.7554 k = 0.5132 0.0785 0.0103 ( 5070 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3269 -6.3269 -6.1522 -6.1522 -4.6820 -4.6820 -1.9724 -1.9724 -0.3952 -0.3952 4.8784 4.8784 5.5828 5.5828 5.7231 5.7231 6.1398 6.1398 6.1541 6.1541 6.4314 6.4314 6.6199 6.6199 6.6918 6.6918 7.4374 7.4374 8.1068 8.1068 8.8400 8.8400 9.4583 9.4583 10.2079 10.2079 10.6947 10.6947 k = 0.5066 0.0931 0.0372 ( 5064 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3303 -6.3303 -6.1555 -6.1555 -4.6836 -4.6836 -1.9724 -1.9724 -0.3884 -0.3884 4.8776 4.8776 5.6396 5.6396 5.7146 5.7146 6.1439 6.1439 6.2057 6.2057 6.4592 6.4592 6.6019 6.6019 6.6378 6.6378 7.4110 7.4110 8.1092 8.1092 8.8605 8.8605 9.4391 9.4391 10.2277 10.2277 10.6517 10.6517 k = 0.5000 0.1077 0.0641 ( 5060 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6540 -13.6540 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3315 -6.3315 -6.1566 -6.1566 -4.6842 -4.6842 -1.9724 -1.9724 -0.3862 -0.3862 4.8773 4.8773 5.6654 5.6654 5.7055 5.7055 6.1448 6.1448 6.2255 6.2255 6.4872 6.4872 6.5530 6.5530 6.6419 6.6419 7.4012 7.4012 8.1102 8.1102 8.8680 8.8680 9.4323 9.4323 10.2358 10.2358 10.6357 10.6357 k = 0.5000 0.1077 0.0641 ( 5060 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6540 -13.6540 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3315 -6.3315 -6.1566 -6.1566 -4.6842 -4.6842 -1.9724 -1.9724 -0.3862 -0.3862 4.8773 4.8773 5.6654 5.6654 5.7055 5.7055 6.1448 6.1448 6.2255 6.2255 6.4872 6.4872 6.5530 6.5530 6.6419 6.6419 7.4012 7.4012 8.1102 8.1102 8.8680 8.8680 9.4323 9.4323 10.2358 10.2358 10.6357 10.6357 k = 0.4706 0.1013 0.0603 ( 5073 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3354 -6.3354 -6.1515 -6.1515 -4.6864 -4.6864 -1.9695 -1.9695 -0.3886 -0.3886 4.8792 4.8792 5.6630 5.6630 5.7067 5.7067 6.1451 6.1451 6.2268 6.2268 6.4848 6.4848 6.5513 6.5513 6.6442 6.6442 7.4028 7.4028 8.1076 8.1076 8.8701 8.8701 9.4303 9.4303 10.2323 10.2323 10.6371 10.6371 k = 0.4412 0.0950 0.0565 ( 5070 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3458 -6.3458 -6.1375 -6.1375 -4.6928 -4.6928 -1.9607 -1.9607 -0.3959 -0.3959 4.8847 4.8847 5.6562 5.6562 5.7100 5.7100 6.1460 6.1460 6.2304 6.2304 6.4781 6.4781 6.5463 6.5463 6.6507 6.6507 7.4072 7.4072 8.1001 8.1001 8.8765 8.8765 9.4246 9.4246 10.2222 10.2222 10.6410 10.6410 k = 0.4118 0.0887 0.0528 ( 5070 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3604 -6.3604 -6.1172 -6.1172 -4.7034 -4.7034 -1.9462 -1.9462 -0.4079 -0.4079 4.8938 4.8938 5.6456 5.6456 5.7149 5.7149 6.1475 6.1475 6.2359 6.2359 6.4681 6.4681 6.5386 6.5386 6.6603 6.6603 7.4143 7.4143 8.0881 8.0881 8.8866 8.8866 9.4153 9.4153 10.2064 10.2064 10.6473 10.6473 k = 0.3824 0.0823 0.0490 ( 5067 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3770 -6.3770 -6.0926 -6.0926 -4.7178 -4.7178 -1.9264 -1.9264 -0.4244 -0.4244 4.9063 4.9063 5.6318 5.6318 5.7212 5.7212 6.1496 6.1496 6.2424 6.2424 6.4558 6.4558 6.5289 6.5289 6.6721 6.6721 7.4237 7.4237 8.0725 8.0725 8.9000 8.9000 9.4027 9.4027 10.1861 10.1861 10.6557 10.6557 k = 0.3529 0.0760 0.0452 ( 5061 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3942 -6.3942 -6.0653 -6.0653 -4.7357 -4.7357 -1.9017 -1.9017 -0.4452 -0.4452 4.9220 4.9220 5.6153 5.6153 5.7288 5.7288 6.1523 6.1523 6.2486 6.2486 6.4421 6.4421 6.5183 6.5183 6.6850 6.6850 7.4347 7.4347 8.0539 8.0539 8.9158 8.9158 9.3873 9.3873 10.1626 10.1626 10.6657 10.6657 k = 0.3235 0.0697 0.0415 ( 5064 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6522 -13.6522 -13.6508 -13.6508 -6.4112 -6.4112 -6.0364 -6.0364 -4.7565 -4.7565 -1.8727 -1.8727 -0.4698 -0.4698 4.9407 4.9407 5.5965 5.5965 5.7378 5.7378 6.1555 6.1555 6.2533 6.2533 6.4277 6.4277 6.5083 6.5083 6.6984 6.6984 7.4469 7.4469 8.0335 8.0335 8.9334 8.9334 9.3696 9.3696 10.1372 10.1372 10.6771 10.6771 k = 0.2941 0.0633 0.0377 ( 5082 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6508 -13.6508 -6.4274 -6.4274 -6.0065 -6.0065 -4.7796 -4.7796 -1.8400 -1.8400 -0.4977 -0.4977 4.9620 4.9620 5.5757 5.5757 5.7481 5.7481 6.1593 6.1593 6.2548 6.2548 6.4129 6.4129 6.5003 6.5003 6.7118 6.7118 7.4594 7.4594 8.0121 8.0121 8.9521 8.9521 9.3502 9.3502 10.1109 10.1109 10.6893 10.6893 k = 0.2647 0.0570 0.0339 ( 5088 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6508 -13.6508 -6.4426 -6.4426 -5.9764 -5.9764 -4.8045 -4.8045 -1.8044 -1.8044 -0.5285 -0.5285 4.9856 4.9856 5.5533 5.5533 5.7596 5.7596 6.1635 6.1635 6.2518 6.2518 6.3982 6.3982 6.4956 6.4956 6.7248 6.7248 7.4718 7.4718 7.9907 7.9907 8.9714 8.9714 9.3295 9.3295 10.0848 10.0848 10.7018 10.7018 k = 0.2353 0.0507 0.0302 ( 5082 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.4566 -6.4566 -5.9465 -5.9465 -4.8304 -4.8304 -1.7667 -1.7667 -0.5614 -0.5614 5.0111 5.0111 5.5297 5.5297 5.7724 5.7724 6.1682 6.1682 6.2437 6.2437 6.3838 6.3838 6.4950 6.4950 6.7372 6.7372 7.4834 7.4834 7.9701 7.9701 8.9907 8.9907 9.3081 9.3081 10.0596 10.0596 10.7143 10.7143 k = 0.2059 0.0443 0.0264 ( 5076 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.4691 -6.4691 -5.9175 -5.9175 -4.8565 -4.8565 -1.7280 -1.7280 -0.5955 -0.5955 5.0380 5.0380 5.5050 5.5050 5.7862 5.7862 6.1732 6.1732 6.2308 6.2308 6.3699 6.3699 6.4983 6.4983 6.7487 6.7487 7.4937 7.4937 7.9511 7.9511 9.0098 9.0098 9.2866 9.2866 10.0360 10.0360 10.7263 10.7263 k = 0.1765 0.0380 0.0226 ( 5082 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.4801 -6.4801 -5.8900 -5.8900 -4.8820 -4.8820 -1.6893 -1.6893 -0.6299 -0.6299 5.0659 5.0659 5.4796 5.4796 5.8008 5.8008 6.1785 6.1785 6.2143 6.2143 6.3567 6.3567 6.5043 6.5043 6.7590 6.7590 7.5024 7.5024 7.9342 7.9342 9.0282 9.0282 9.2653 9.2653 10.0146 10.0146 10.7374 10.7374 k = 0.1471 0.0317 0.0188 ( 5112 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.4896 -6.4896 -5.8647 -5.8647 -4.9060 -4.9060 -1.6521 -1.6521 -0.6634 -0.6634 5.0942 5.0942 5.4540 5.4540 5.8157 5.8157 6.1839 6.1839 6.1956 6.1956 6.3445 6.3445 6.5120 6.5120 6.7681 6.7681 7.5093 7.5093 7.9200 7.9200 9.0458 9.0458 9.2448 9.2448 9.9957 9.9957 10.7474 10.7474 k = 0.1176 0.0253 0.0151 ( 5118 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.4973 -6.4973 -5.8424 -5.8424 -4.9275 -4.9275 -1.6178 -1.6178 -0.6944 -0.6944 5.1221 5.1221 5.4287 5.4287 5.8304 5.8304 6.1764 6.1764 6.1892 6.1892 6.3336 6.3336 6.5199 6.5199 6.7757 6.7757 7.5144 7.5144 7.9085 7.9085 9.0624 9.0624 9.2254 9.2254 9.9798 9.9798 10.7559 10.7559 k = 0.0882 0.0190 0.0113 ( 5115 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5034 -6.5034 -5.8239 -5.8239 -4.9455 -4.9455 -1.5882 -1.5882 -0.7214 -0.7214 5.1484 5.1484 5.4047 5.4047 5.8439 5.8439 6.1586 6.1586 6.1941 6.1941 6.3243 6.3243 6.5272 6.5272 6.7817 6.7817 7.5178 7.5178 7.8998 7.8998 9.0777 9.0777 9.2077 9.2077 9.9672 9.9672 10.7628 10.7628 k = 0.0588 0.0127 0.0075 ( 5112 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5078 -6.5078 -5.8100 -5.8100 -4.9592 -4.9592 -1.5652 -1.5652 -0.7425 -0.7425 5.1713 5.1713 5.3834 5.3834 5.8552 5.8552 6.1438 6.1438 6.1981 6.1981 6.3171 6.3171 6.5330 6.5330 6.7861 6.7861 7.5199 7.5199 7.8938 7.8938 9.0910 9.0910 9.1924 9.1924 9.9580 9.9580 10.7678 10.7678 k = 0.0294 0.0063 0.0038 ( 5109 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5104 -6.5104 -5.8013 -5.8013 -4.9678 -4.9678 -1.5505 -1.5505 -0.7560 -0.7560 5.1879 5.1879 5.3679 5.3679 5.8627 5.8627 6.1340 6.1340 6.2008 6.2008 6.3125 6.3125 6.5367 6.5367 6.7887 6.7887 7.5210 7.5210 7.8903 7.8903 9.1010 9.1010 9.1812 9.1812 9.9524 9.9524 10.7709 10.7709 k = 0.0000 0.0000 0.0000 ( 5091 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5113 -6.5113 -5.7984 -5.7984 -4.9707 -4.9707 -1.5455 -1.5455 -0.7607 -0.7607 5.1942 5.1942 5.3620 5.3620 5.8654 5.8654 6.1305 6.1305 6.2017 6.2017 6.3109 6.3109 6.5379 6.5379 6.7896 6.7896 7.5213 7.5213 7.8892 7.8892 9.1050 9.1050 9.1768 9.1768 9.9506 9.9506 10.7719 10.7719 k = 0.0000 0.0000 0.0000 ( 5091 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5113 -6.5113 -5.7984 -5.7984 -4.9707 -4.9707 -1.5455 -1.5455 -0.7607 -0.7607 5.1942 5.1942 5.3620 5.3620 5.8654 5.8654 6.1305 6.1305 6.2017 6.2017 6.3109 6.3109 6.5379 6.5379 6.7896 6.7896 7.5213 7.5213 7.8892 7.8892 9.1050 9.1050 9.1768 9.1768 9.9506 9.9506 10.7719 10.7719 k = 0.0065-0.0144-0.0266 ( 5095 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5101 -6.5101 -5.7973 -5.7973 -4.9700 -4.9700 -1.5460 -1.5460 -0.7621 -0.7621 5.1859 5.1859 5.3544 5.3544 5.8633 5.8633 6.1116 6.1116 6.2238 6.2238 6.3187 6.3187 6.5310 6.5310 6.7769 6.7769 7.5304 7.5304 7.8904 7.8904 9.0925 9.0925 9.1953 9.1953 9.9572 9.9572 10.7741 10.7741 k = 0.0130-0.0288-0.0532 ( 5103 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6749 -13.6749 -13.6732 -13.6732 -13.6542 -13.6542 -13.6539 -13.6539 -13.6523 -13.6523 -13.6507 -13.6507 -6.5068 -6.5068 -5.7943 -5.7943 -4.9680 -4.9680 -1.5477 -1.5477 -0.7662 -0.7662 5.1619 5.1619 5.3323 5.3323 5.8564 5.8564 6.0795 6.0795 6.2637 6.2637 6.3413 6.3413 6.5106 6.5106 6.7444 6.7444 7.5508 7.5508 7.8973 7.8973 9.0701 9.0701 9.2355 9.2355 9.9765 9.9765 10.7807 10.7807 k = 0.0195-0.0433-0.0797 ( 5111 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6749 -13.6749 -13.6731 -13.6731 -13.6542 -13.6542 -13.6540 -13.6540 -13.6523 -13.6523 -13.6506 -13.6506 -6.5011 -6.5011 -5.7892 -5.7892 -4.9648 -4.9648 -1.5505 -1.5505 -0.7731 -0.7731 5.1244 5.1244 5.2972 5.2972 5.8436 5.8436 6.0474 6.0474 6.3007 6.3007 6.3750 6.3750 6.4822 6.4822 6.7038 6.7038 7.5668 7.5668 7.9181 7.9181 9.0479 9.0479 9.2864 9.2864 10.0070 10.0070 10.7919 10.7919 k = 0.0260-0.0577-0.1063 ( 5091 PWs) bands (ev): -16.6429 -16.6429 -16.6427 -16.6427 -16.6322 -16.6322 -16.6305 -16.6305 -13.6748 -13.6748 -13.6730 -13.6730 -13.6542 -13.6542 -13.6541 -13.6541 -13.6523 -13.6523 -13.6506 -13.6506 -6.4932 -6.4932 -5.7821 -5.7821 -4.9602 -4.9602 -1.5545 -1.5545 -0.7827 -0.7827 5.0761 5.0761 5.2516 5.2516 5.8232 5.8232 6.0165 6.0165 6.3134 6.3134 6.4038 6.4038 6.4771 6.4771 6.6650 6.6650 7.5660 7.5660 7.9591 7.9591 9.0273 9.0273 9.3457 9.3457 10.0464 10.0464 10.8079 10.8079 k = 0.0326-0.0721-0.1329 ( 5087 PWs) bands (ev): -16.6429 -16.6429 -16.6427 -16.6427 -16.6322 -16.6322 -16.6305 -16.6305 -13.6747 -13.6747 -13.6729 -13.6729 -13.6543 -13.6543 -13.6542 -13.6542 -13.6524 -13.6524 -13.6505 -13.6505 -6.4831 -6.4831 -5.7729 -5.7729 -4.9543 -4.9543 -1.5597 -1.5597 -0.7951 -0.7951 5.0198 5.0198 5.1978 5.1978 5.7931 5.7931 5.9860 5.9860 6.2766 6.2766 6.4234 6.4234 6.5219 6.5219 6.6345 6.6345 7.5473 7.5473 8.0178 8.0178 9.0080 9.0080 9.4125 9.4125 10.0920 10.0920 10.8288 10.8288 k = 0.0391-0.0865-0.1595 ( 5081 PWs) bands (ev): -16.6428 -16.6428 -16.6426 -16.6426 -16.6322 -16.6322 -16.6305 -16.6305 -13.6746 -13.6746 -13.6728 -13.6728 -13.6544 -13.6544 -13.6543 -13.6543 -13.6524 -13.6524 -13.6504 -13.6504 -6.4707 -6.4707 -5.7618 -5.7618 -4.9472 -4.9472 -1.5661 -1.5661 -0.8103 -0.8103 4.9576 4.9576 5.1381 5.1381 5.7506 5.7506 5.9545 5.9545 6.2137 6.2137 6.4361 6.4361 6.5829 6.5829 6.6234 6.6234 7.5170 7.5170 8.0866 8.0866 8.9893 8.9893 9.4859 9.4859 10.1410 10.1410 10.8541 10.8541 k = 0.0456-0.1009-0.1860 ( 5073 PWs) bands (ev): -16.6427 -16.6427 -16.6425 -16.6425 -16.6322 -16.6322 -16.6305 -16.6305 -13.6745 -13.6745 -13.6726 -13.6726 -13.6545 -13.6545 -13.6544 -13.6544 -13.6523 -13.6523 -13.6503 -13.6503 -6.4561 -6.4561 -5.7487 -5.7487 -4.9388 -4.9388 -1.5738 -1.5738 -0.8283 -0.8283 4.8914 4.8914 5.0747 5.0747 5.6931 5.6931 5.9210 5.9210 6.1489 6.1489 6.4234 6.4234 6.6212 6.6212 6.6669 6.6669 7.4817 7.4817 8.1589 8.1589 8.9706 8.9706 9.5647 9.5647 10.1908 10.1908 10.8822 10.8822 k = 0.0521-0.1153-0.2126 ( 5071 PWs) bands (ev): -16.6426 -16.6426 -16.6424 -16.6424 -16.6322 -16.6322 -16.6305 -16.6305 -13.6744 -13.6744 -13.6724 -13.6724 -13.6547 -13.6547 -13.6545 -13.6545 -13.6523 -13.6523 -13.6501 -13.6501 -6.4392 -6.4392 -5.7336 -5.7336 -4.9293 -4.9293 -1.5828 -1.5828 -0.8491 -0.8491 4.8225 4.8225 5.0092 5.0092 5.6196 5.6196 5.8848 5.8848 6.0909 6.0909 6.3854 6.3854 6.6536 6.6536 6.7396 6.7396 7.4458 7.4458 8.2305 8.2305 8.9516 8.9516 9.6467 9.6467 10.2401 10.2401 10.9091 10.9091 k = 0.0586-0.1298-0.2392 ( 5071 PWs) bands (ev): -16.6425 -16.6425 -16.6423 -16.6423 -16.6323 -16.6323 -16.6305 -16.6305 -13.6743 -13.6743 -13.6722 -13.6722 -13.6549 -13.6549 -13.6546 -13.6546 -13.6522 -13.6522 -13.6500 -13.6500 -6.4202 -6.4202 -5.7166 -5.7166 -4.9186 -4.9186 -1.5932 -1.5932 -0.8728 -0.8728 4.7520 4.7520 4.9431 4.9431 5.5319 5.5319 5.8453 5.8453 6.0413 6.0413 6.3320 6.3320 6.6925 6.6925 6.8157 6.8157 7.4125 7.4125 8.2989 8.2989 8.9320 8.9320 9.7291 9.7291 10.2891 10.2891 10.9289 10.9289 k = 0.0651-0.1442-0.2658 ( 5059 PWs) bands (ev): -16.6424 -16.6424 -16.6422 -16.6422 -16.6323 -16.6323 -16.6306 -16.6306 -13.6741 -13.6741 -13.6720 -13.6720 -13.6551 -13.6551 -13.6548 -13.6548 -13.6521 -13.6521 -13.6498 -13.6498 -6.3990 -6.3990 -5.6977 -5.6977 -4.9068 -4.9068 -1.6051 -1.6051 -0.8992 -0.8992 4.6804 4.6804 4.8773 4.8773 5.4337 5.4337 5.8018 5.8018 5.9984 5.9984 6.2696 6.2696 6.7328 6.7328 6.8921 6.8921 7.3831 7.3831 8.3627 8.3627 8.9118 8.9118 9.8074 9.8074 10.3402 10.3402 10.9387 10.9387 k = 0.0716-0.1586-0.2924 ( 5051 PWs) bands (ev): -16.6423 -16.6423 -16.6421 -16.6421 -16.6323 -16.6323 -16.6306 -16.6306 -13.6740 -13.6740 -13.6718 -13.6718 -13.6553 -13.6553 -13.6550 -13.6550 -13.6520 -13.6520 -13.6496 -13.6496 -6.3756 -6.3756 -5.6770 -5.6770 -4.8939 -4.8939 -1.6184 -1.6184 -0.9285 -0.9285 4.6082 4.6082 4.8128 4.8128 5.3289 5.3289 5.7534 5.7534 5.9597 5.9597 6.2020 6.2020 6.7715 6.7715 6.9672 6.9672 7.3585 7.3585 8.4211 8.4211 8.8915 8.8915 9.8764 9.8764 10.3976 10.3976 10.9420 10.9420 k = 0.0781-0.1730-0.3189 ( 5055 PWs) bands (ev): -16.6422 -16.6422 -16.6419 -16.6419 -16.6323 -16.6323 -16.6306 -16.6306 -13.6739 -13.6739 -13.6716 -13.6716 -13.6555 -13.6555 -13.6552 -13.6552 -13.6518 -13.6518 -13.6494 -13.6494 -6.3501 -6.3501 -5.6544 -5.6544 -4.8800 -4.8800 -1.6334 -1.6334 -0.9606 -0.9606 4.5357 4.5357 4.7502 4.7502 5.2209 5.2209 5.6992 5.6992 5.9232 5.9232 6.1323 6.1323 6.8071 6.8071 7.0395 7.0395 7.3390 7.3390 8.4734 8.4734 8.8720 8.8720 9.9315 9.9315 10.4657 10.4657 10.9447 10.9447 k = 0.0846-0.1874-0.3455 ( 5053 PWs) bands (ev): -16.6421 -16.6421 -16.6418 -16.6418 -16.6323 -16.6323 -16.6306 -16.6306 -13.6738 -13.6738 -13.6714 -13.6714 -13.6557 -13.6557 -13.6554 -13.6554 -13.6516 -13.6516 -13.6492 -13.6492 -6.3224 -6.3224 -5.6300 -5.6300 -4.8652 -4.8652 -1.6499 -1.6499 -0.9954 -0.9954 4.4631 4.4631 4.6900 4.6900 5.1123 5.1123 5.6382 5.6382 5.8873 5.8873 6.0627 6.0627 6.8387 6.8387 7.1072 7.1072 7.3248 7.3248 8.5188 8.5188 8.8551 8.8551 9.9707 9.9707 10.5463 10.5463 10.9506 10.9506 k = 0.0912-0.2018-0.3721 ( 5049 PWs) bands (ev): -16.6420 -16.6420 -16.6416 -16.6416 -16.6323 -16.6323 -16.6306 -16.6306 -13.6738 -13.6738 -13.6712 -13.6712 -13.6560 -13.6560 -13.6555 -13.6555 -13.6514 -13.6514 -13.6490 -13.6490 -6.2926 -6.2926 -5.6039 -5.6039 -4.8495 -4.8495 -1.6681 -1.6681 -1.0330 -1.0330 4.3904 4.3904 4.6321 4.6321 5.0053 5.0053 5.5703 5.5703 5.8511 5.8511 5.9950 5.9950 6.8654 6.8654 7.1673 7.1673 7.3172 7.3172 8.5558 8.5558 8.8434 8.8434 9.9955 9.9955 10.6373 10.6373 10.9626 10.9626 k = 0.0977-0.2163-0.3987 ( 5047 PWs) bands (ev): -16.6419 -16.6419 -16.6414 -16.6414 -16.6323 -16.6323 -16.6306 -16.6306 -13.6737 -13.6737 -13.6709 -13.6709 -13.6562 -13.6562 -13.6557 -13.6557 -13.6512 -13.6512 -13.6487 -13.6487 -6.2608 -6.2608 -5.5761 -5.5761 -4.8330 -4.8330 -1.6881 -1.6881 -1.0733 -1.0733 4.3176 4.3176 4.5765 4.5765 4.9017 4.9017 5.4960 5.4960 5.8140 5.8140 5.9301 5.9301 6.8869 6.8869 7.2145 7.2145 7.3195 7.3195 8.5832 8.5832 8.8402 8.8402 10.0097 10.0097 10.7333 10.7333 10.9833 10.9833 k = 0.1042-0.2307-0.4252 ( 5049 PWs) bands (ev): -16.6418 -16.6418 -16.6412 -16.6412 -16.6324 -16.6324 -16.6307 -16.6307 -13.6737 -13.6737 -13.6707 -13.6707 -13.6564 -13.6564 -13.6559 -13.6559 -13.6510 -13.6510 -13.6485 -13.6485 -6.2270 -6.2270 -5.5467 -5.5467 -4.8158 -4.8158 -1.7098 -1.7098 -1.1162 -1.1162 4.2444 4.2444 4.5226 4.5226 4.8034 4.8034 5.4163 5.4163 5.7755 5.7755 5.8683 5.8683 6.9026 6.9026 7.2414 7.2414 7.3370 7.3370 8.6004 8.6004 8.8479 8.8479 10.0175 10.0175 10.8251 10.8251 11.0177 11.0177 k = 0.1107-0.2451-0.4518 ( 5045 PWs) bands (ev): -16.6417 -16.6417 -16.6410 -16.6410 -16.6324 -16.6324 -16.6307 -16.6307 -13.6737 -13.6737 -13.6705 -13.6705 -13.6566 -13.6566 -13.6560 -13.6560 -13.6507 -13.6507 -13.6482 -13.6482 -6.1911 -6.1911 -5.5158 -5.5158 -4.7979 -4.7979 -1.7333 -1.7333 -1.1616 -1.1616 4.1706 4.1706 4.4694 4.4694 4.7124 4.7124 5.3331 5.3331 5.7353 5.7353 5.8091 5.8091 6.9124 6.9124 7.2510 7.2510 7.3645 7.3645 8.6100 8.6100 8.8663 8.8663 10.0221 10.0221 10.9005 10.9005 11.0746 11.0746 k = 0.1172-0.2595-0.4784 ( 5047 PWs) bands (ev): -16.6416 -16.6416 -16.6408 -16.6408 -16.6324 -16.6324 -16.6307 -16.6307 -13.6737 -13.6737 -13.6704 -13.6704 -13.6569 -13.6569 -13.6562 -13.6562 -13.6504 -13.6504 -13.6479 -13.6479 -6.1533 -6.1533 -5.4833 -5.4833 -4.7794 -4.7794 -1.7586 -1.7586 -1.2095 -1.2095 4.0960 4.0960 4.4155 4.4155 4.6308 4.6308 5.2482 5.2482 5.6934 5.6934 5.7521 5.7521 6.9159 6.9159 7.2534 7.2534 7.3900 7.3900 8.6168 8.6168 8.8928 8.8928 10.0260 10.0260 10.9545 10.9545 11.1557 11.1557 k = 0.1237-0.2739-0.5050 ( 5045 PWs) bands (ev): -16.6415 -16.6415 -16.6406 -16.6406 -16.6324 -16.6324 -16.6307 -16.6307 -13.6738 -13.6738 -13.6702 -13.6702 -13.6570 -13.6570 -13.6563 -13.6563 -13.6501 -13.6501 -13.6476 -13.6476 -6.1135 -6.1135 -5.4495 -5.4495 -4.7605 -4.7605 -1.7858 -1.7858 -1.2597 -1.2597 4.0203 4.0203 4.3591 4.3591 4.5605 4.5605 5.1636 5.1636 5.6495 5.6495 5.6966 5.6966 6.9129 6.9129 7.2539 7.2539 7.4067 7.4067 8.6255 8.6255 8.9247 8.9247 10.0310 10.0310 10.9959 10.9959 11.2496 11.2496 k = 0.1302-0.2883-0.5316 ( 5051 PWs) bands (ev): -16.6413 -16.6413 -16.6404 -16.6404 -16.6324 -16.6324 -16.6308 -16.6308 -13.6739 -13.6739 -13.6701 -13.6701 -13.6572 -13.6572 -13.6564 -13.6564 -13.6498 -13.6498 -13.6473 -13.6473 -6.0719 -6.0719 -5.4143 -5.4143 -4.7412 -4.7412 -1.8147 -1.8147 -1.3121 -1.3121 3.9435 3.9435 4.2994 4.2994 4.5023 4.5023 5.0814 5.0814 5.6036 5.6036 5.6421 5.6421 6.9032 6.9032 7.2539 7.2539 7.4120 7.4120 8.6397 8.6397 8.9600 8.9600 10.0385 10.0385 11.0329 11.0329 11.3454 11.3454 k = 0.1367-0.3028-0.5581 ( 5055 PWs) bands (ev): -16.6412 -16.6412 -16.6401 -16.6401 -16.6324 -16.6324 -16.6308 -16.6308 -13.6740 -13.6740 -13.6699 -13.6699 -13.6574 -13.6574 -13.6565 -13.6565 -13.6494 -13.6494 -13.6470 -13.6470 -6.0285 -6.0285 -5.3780 -5.3780 -4.7215 -4.7215 -1.8453 -1.8453 -1.3665 -1.3665 3.8656 3.8656 4.2369 4.2369 4.4550 4.4550 5.0034 5.0034 5.5558 5.5558 5.5882 5.5882 6.8870 6.8870 7.2541 7.2541 7.4050 7.4050 8.6613 8.6613 8.9973 8.9973 10.0494 10.0494 11.0694 11.0694 11.4375 11.4375 k = 0.1432-0.3172-0.5847 ( 5051 PWs) bands (ev): -16.6411 -16.6411 -16.6399 -16.6399 -16.6324 -16.6324 -16.6308 -16.6308 -13.6741 -13.6741 -13.6699 -13.6699 -13.6575 -13.6575 -13.6566 -13.6566 -13.6491 -13.6491 -13.6467 -13.6467 -5.9832 -5.9832 -5.3405 -5.3405 -4.7018 -4.7018 -1.8777 -1.8777 -1.4228 -1.4228 3.7871 3.7871 4.1725 4.1725 4.4165 4.4165 4.9313 4.9313 5.5062 5.5062 5.5347 5.5347 6.8641 6.8641 7.2545 7.2545 7.3861 7.3861 8.6908 8.6908 9.0361 9.0361 10.0641 10.0641 11.1068 11.1068 11.5227 11.5227 k = 0.1498-0.3316-0.6113 ( 5055 PWs) bands (ev): -16.6410 -16.6410 -16.6397 -16.6397 -16.6324 -16.6324 -16.6308 -16.6308 -13.6742 -13.6742 -13.6698 -13.6698 -13.6576 -13.6576 -13.6567 -13.6567 -13.6487 -13.6487 -13.6464 -13.6464 -5.9363 -5.9363 -5.3020 -5.3020 -4.6819 -4.6819 -1.9117 -1.9117 -1.4808 -1.4808 3.7085 3.7085 4.1073 4.1073 4.3847 4.3847 4.8668 4.8668 5.4554 5.4554 5.4813 5.4813 6.8349 6.8349 7.2553 7.2553 7.3565 7.3565 8.7275 8.7275 9.0762 9.0762 10.0833 10.0833 11.1454 11.1454 11.5990 11.5990 k = 0.1563-0.3460-0.6379 ( 5057 PWs) bands (ev): -16.6409 -16.6409 -16.6394 -16.6394 -16.6324 -16.6324 -16.6309 -16.6309 -13.6744 -13.6744 -13.6698 -13.6698 -13.6577 -13.6577 -13.6568 -13.6568 -13.6483 -13.6483 -13.6461 -13.6461 -5.8878 -5.8878 -5.2626 -5.2626 -4.6620 -4.6620 -1.9472 -1.9472 -1.5403 -1.5403 3.6305 3.6305 4.0413 4.0413 4.3578 4.3578 4.8110 4.8110 5.4036 5.4036 5.4276 5.4276 6.7996 6.7996 7.2562 7.2562 7.3178 7.3178 8.7704 8.7704 9.1174 9.1174 10.1071 10.1071 11.1856 11.1856 11.6654 11.6654 k = 0.1628-0.3604-0.6644 ( 5055 PWs) bands (ev): -16.6408 -16.6408 -16.6392 -16.6392 -16.6324 -16.6324 -16.6309 -16.6309 -13.6745 -13.6745 -13.6698 -13.6698 -13.6578 -13.6578 -13.6569 -13.6569 -13.6480 -13.6480 -13.6458 -13.6458 -5.8377 -5.8377 -5.2225 -5.2225 -4.6423 -4.6423 -1.9841 -1.9841 -1.6011 -1.6011 3.5537 3.5537 3.9746 3.9746 4.3348 4.3348 4.7648 4.7648 5.3514 5.3514 5.3737 5.3737 6.7587 6.7587 7.2568 7.2568 7.2719 7.2719 8.8179 8.8179 9.1598 9.1598 10.1356 10.1356 11.2273 11.2273 11.7211 11.7211 k = 0.1693-0.3748-0.6910 ( 5055 PWs) bands (ev): -16.6407 -16.6407 -16.6390 -16.6390 -16.6324 -16.6324 -16.6309 -16.6309 -13.6746 -13.6746 -13.6698 -13.6698 -13.6578 -13.6578 -13.6570 -13.6570 -13.6476 -13.6476 -13.6455 -13.6455 -5.7861 -5.7861 -5.1817 -5.1817 -4.6229 -4.6229 -2.0223 -2.0223 -1.6630 -1.6630 3.4787 3.4787 3.9070 3.9070 4.3151 4.3151 4.7282 4.7282 5.2991 5.2991 5.3198 5.3198 6.7126 6.7126 7.2184 7.2184 7.2590 7.2590 8.8686 8.8686 9.2037 9.2037 10.1688 10.1688 11.2703 11.2703 11.7661 11.7661 k = 0.1758-0.3893-0.7176 ( 5065 PWs) bands (ev): -16.6406 -16.6406 -16.6387 -16.6387 -16.6324 -16.6324 -16.6309 -16.6309 -13.6748 -13.6748 -13.6698 -13.6698 -13.6579 -13.6579 -13.6570 -13.6570 -13.6472 -13.6472 -13.6452 -13.6452 -5.7332 -5.7332 -5.1406 -5.1406 -4.6038 -4.6038 -2.0616 -2.0616 -1.7258 -1.7258 3.4062 3.4062 3.8385 3.8385 4.2983 4.2983 4.7009 4.7009 5.2472 5.2472 5.2663 5.2663 6.6620 6.6620 7.1614 7.1614 7.2600 7.2600 8.9208 8.9208 9.2492 9.2492 10.2067 10.2067 11.3146 11.3146 11.8008 11.8008 k = 0.1823-0.4037-0.7442 ( 5063 PWs) bands (ev): -16.6406 -16.6406 -16.6385 -16.6385 -16.6324 -16.6324 -16.6310 -16.6310 -13.6749 -13.6749 -13.6699 -13.6699 -13.6580 -13.6580 -13.6571 -13.6571 -13.6469 -13.6469 -13.6449 -13.6449 -5.6789 -5.6789 -5.0991 -5.0991 -4.5851 -4.5851 -2.1019 -2.1019 -1.7893 -1.7893 3.3365 3.3365 3.7694 3.7694 4.2839 4.2839 4.6817 4.6817 5.1954 5.1954 5.2144 5.2144 6.6074 6.6074 7.1008 7.1008 7.2609 7.2609 8.9732 8.9732 9.2966 9.2966 10.2491 10.2491 11.3599 11.3599 11.8257 11.8257 k = 0.1888-0.4181-0.7708 ( 5059 PWs) bands (ev): -16.6405 -16.6405 -16.6383 -16.6383 -16.6324 -16.6324 -16.6310 -16.6310 -13.6750 -13.6750 -13.6699 -13.6699 -13.6580 -13.6580 -13.6571 -13.6571 -13.6465 -13.6465 -13.6447 -13.6447 -5.6235 -5.6235 -5.0575 -5.0575 -4.5671 -4.5671 -2.1429 -2.1429 -1.8532 -1.8532 3.2701 3.2701 3.7002 3.7002 4.2717 4.2717 4.6693 4.6693 5.1436 5.1436 5.1658 5.1658 6.5494 6.5494 7.0377 7.0377 7.2616 7.2616 9.0245 9.0245 9.3464 9.3464 10.2959 10.2959 11.4060 11.4060 11.8416 11.8416 k = 0.1953-0.4325-0.7973 ( 5055 PWs) bands (ev): -16.6404 -16.6404 -16.6380 -16.6380 -16.6324 -16.6324 -16.6310 -16.6310 -13.6751 -13.6751 -13.6700 -13.6700 -13.6581 -13.6581 -13.6571 -13.6571 -13.6462 -13.6462 -13.6444 -13.6444 -5.5670 -5.5670 -5.0160 -5.0160 -4.5497 -4.5497 -2.1844 -2.1844 -1.9173 -1.9173 3.2071 3.2071 3.6317 3.6317 4.2609 4.2609 4.6616 4.6616 5.0920 5.0920 5.1218 5.1218 6.4888 6.4888 6.9730 6.9730 7.2620 7.2620 9.0735 9.0735 9.3986 9.3986 10.3467 10.3467 11.4525 11.4525 11.8493 11.8493 k = 0.2018-0.4469-0.8239 ( 5055 PWs) bands (ev): -16.6403 -16.6403 -16.6378 -16.6378 -16.6324 -16.6324 -16.6311 -16.6311 -13.6751 -13.6751 -13.6700 -13.6700 -13.6582 -13.6582 -13.6571 -13.6571 -13.6458 -13.6458 -13.6442 -13.6442 -5.5096 -5.5096 -4.9748 -4.9748 -4.5331 -4.5331 -2.2262 -2.2262 -1.9813 -1.9813 3.1480 3.1480 3.5646 3.5646 4.2508 4.2508 4.6566 4.6566 5.0421 5.0421 5.0837 5.0837 6.4260 6.4260 6.9075 6.9075 7.2619 7.2619 9.1194 9.1194 9.4534 9.4534 10.4014 10.4014 11.4990 11.4990 11.8500 11.8500 k = 0.2083-0.4613-0.8505 ( 5049 PWs) bands (ev): -16.6402 -16.6402 -16.6376 -16.6376 -16.6324 -16.6324 -16.6311 -16.6311 -13.6751 -13.6751 -13.6701 -13.6701 -13.6584 -13.6584 -13.6571 -13.6571 -13.6455 -13.6455 -13.6440 -13.6440 -5.4514 -5.4514 -4.9341 -4.9341 -4.5174 -4.5174 -2.2681 -2.2681 -2.0451 -2.0451 3.0927 3.0927 3.4995 3.4995 4.2401 4.2401 4.6513 4.6513 4.9957 4.9957 5.0524 5.0524 6.3617 6.3617 6.8419 6.8419 7.2614 7.2614 9.1617 9.1617 9.5107 9.5107 10.4596 10.4596 11.5448 11.5448 11.8448 11.8448 k = 0.2149-0.4758-0.8771 ( 5043 PWs) bands (ev): -16.6401 -16.6401 -16.6374 -16.6374 -16.6324 -16.6324 -16.6311 -16.6311 -13.6751 -13.6751 -13.6701 -13.6701 -13.6585 -13.6585 -13.6571 -13.6571 -13.6452 -13.6452 -13.6438 -13.6438 -5.3927 -5.3927 -4.8941 -4.8941 -4.5027 -4.5027 -2.3098 -2.3098 -2.1083 -2.1083 3.0414 3.0414 3.4374 3.4374 4.2276 4.2276 4.6425 4.6425 4.9554 4.9554 5.0293 5.0293 6.2964 6.2964 6.7771 6.7771 7.2604 7.2604 9.1999 9.1999 9.5701 9.5701 10.5209 10.5209 11.5884 11.5884 11.8359 11.8359 k = 0.2214-0.4902-0.9036 ( 5041 PWs) bands (ev): -16.6401 -16.6401 -16.6372 -16.6372 -16.6324 -16.6324 -16.6312 -16.6312 -13.6751 -13.6751 -13.6701 -13.6701 -13.6587 -13.6587 -13.6571 -13.6571 -13.6450 -13.6450 -13.6436 -13.6436 -5.3335 -5.3335 -4.8551 -4.8551 -4.4890 -4.4890 -2.3510 -2.3510 -2.1706 -2.1706 2.9940 2.9940 3.3788 3.3788 4.2122 4.2122 4.6266 4.6266 4.9240 4.9240 5.0156 5.0156 6.2307 6.2307 6.7136 6.7136 7.2588 7.2588 9.2339 9.2339 9.6311 9.6311 10.5849 10.5849 11.6267 11.6267 11.8269 11.8269 k = 0.2279-0.5046-0.9302 ( 5036 PWs) bands (ev): -16.6400 -16.6400 -16.6370 -16.6370 -16.6324 -16.6324 -16.6312 -16.6312 -13.6750 -13.6750 -13.6701 -13.6701 -13.6589 -13.6589 -13.6571 -13.6571 -13.6447 -13.6447 -13.6434 -13.6434 -5.2740 -5.2740 -4.8174 -4.8174 -4.4764 -4.4764 -2.3915 -2.3915 -2.2319 -2.2319 2.9506 2.9506 3.3244 3.3244 4.1926 4.1926 4.6012 4.6012 4.9032 4.9032 5.0119 5.0119 6.1651 6.1651 6.6523 6.6523 7.2566 7.2566 9.2638 9.2638 9.6931 9.6931 10.6513 10.6513 11.6530 11.6530 11.8248 11.8248 k = 0.2344-0.5190-0.9568 ( 5034 PWs) bands (ev): -16.6399 -16.6399 -16.6368 -16.6368 -16.6325 -16.6325 -16.6312 -16.6312 -13.6749 -13.6749 -13.6701 -13.6701 -13.6591 -13.6591 -13.6570 -13.6570 -13.6445 -13.6445 -13.6433 -13.6433 -5.2146 -5.2146 -4.7812 -4.7812 -4.4650 -4.4650 -2.4310 -2.4310 -2.2918 -2.2918 2.9110 2.9110 3.2750 3.2750 4.1683 4.1683 4.5663 4.5663 4.8929 4.8929 5.0182 5.0182 6.1001 6.1001 6.5940 6.5940 7.2539 7.2539 9.2895 9.2895 9.7552 9.7552 10.7194 10.7194 11.6589 11.6589 11.8387 11.8387 k = 0.2409-0.5334-0.9834 ( 5036 PWs) bands (ev): -16.6399 -16.6399 -16.6366 -16.6366 -16.6325 -16.6325 -16.6312 -16.6312 -13.6748 -13.6748 -13.6701 -13.6701 -13.6594 -13.6594 -13.6570 -13.6570 -13.6443 -13.6443 -13.6431 -13.6431 -5.1554 -5.1554 -4.7467 -4.7467 -4.4549 -4.4549 -2.4692 -2.4692 -2.3501 -2.3501 2.8751 2.8751 3.2311 3.2311 4.1391 4.1391 4.5238 4.5238 4.8913 4.8913 5.0334 5.0334 6.0364 6.0364 6.5396 6.5396 7.2506 7.2506 9.3112 9.3112 9.8169 9.8169 10.7886 10.7886 11.6439 11.6439 11.8696 11.8696 k = 0.2474-0.5479-1.0100 ( 5040 PWs) bands (ev): -16.6398 -16.6398 -16.6364 -16.6364 -16.6325 -16.6325 -16.6312 -16.6312 -13.6746 -13.6746 -13.6701 -13.6701 -13.6596 -13.6596 -13.6570 -13.6570 -13.6441 -13.6441 -13.6430 -13.6430 -5.0968 -5.0968 -4.7143 -4.7143 -4.4460 -4.4460 -2.5059 -2.5059 -2.4064 -2.4064 2.8428 2.8428 3.1932 3.1932 4.1051 4.1051 4.4760 4.4760 4.8957 4.8957 5.0562 5.0562 5.9746 5.9746 6.4900 6.4900 7.2466 7.2466 9.3289 9.3289 9.8772 9.8772 10.8581 10.8581 11.6155 11.6155 11.9108 11.9108 k = 0.2539-0.5623-1.0365 ( 5040 PWs) bands (ev): -16.6397 -16.6397 -16.6362 -16.6362 -16.6326 -16.6326 -16.6313 -16.6313 -13.6744 -13.6744 -13.6701 -13.6701 -13.6599 -13.6599 -13.6569 -13.6569 -13.6440 -13.6440 -13.6430 -13.6430 -5.0389 -5.0389 -4.6841 -4.6841 -4.4385 -4.4385 -2.5409 -2.5409 -2.4604 -2.4604 2.8139 2.8139 3.1619 3.1619 4.0671 4.0671 4.4252 4.4252 4.9032 4.9032 5.0851 5.0851 5.9154 5.9154 6.4464 6.4464 7.2422 7.2422 9.3426 9.3426 9.9355 9.9355 10.9264 10.9264 11.5801 11.5801 11.9565 11.9565 k = 0.2604-0.5767-1.0631 ( 5042 PWs) bands (ev): -16.6397 -16.6397 -16.6360 -16.6360 -16.6326 -16.6326 -16.6313 -16.6313 -13.6741 -13.6741 -13.6700 -13.6700 -13.6602 -13.6602 -13.6569 -13.6569 -13.6439 -13.6439 -13.6429 -13.6429 -4.9823 -4.9823 -4.6565 -4.6565 -4.4322 -4.4322 -2.5738 -2.5738 -2.5118 -2.5118 2.7882 2.7882 3.1375 3.1375 4.0258 4.0258 4.3727 4.3727 4.9115 4.9115 5.1185 5.1185 5.8600 5.8600 6.4099 6.4099 7.2372 7.2372 9.3523 9.3523 9.9910 9.9910 10.9917 10.9917 11.5423 11.5423 12.0038 12.0038 k = 0.2669-0.5911-1.0897 ( 5038 PWs) bands (ev): -16.6396 -16.6396 -16.6359 -16.6359 -16.6327 -16.6327 -16.6313 -16.6313 -13.6738 -13.6738 -13.6700 -13.6700 -13.6606 -13.6606 -13.6569 -13.6569 -13.6438 -13.6438 -13.6428 -13.6428 -4.9272 -4.9272 -4.6317 -4.6317 -4.4272 -4.4272 -2.6044 -2.6044 -2.5601 -2.5601 2.7658 2.7658 3.1203 3.1203 3.9819 3.9819 4.3197 4.3197 4.9180 4.9180 5.1546 5.1546 5.8097 5.8097 6.3814 6.3814 7.2319 7.2319 9.3581 9.3581 10.0428 10.0428 11.0501 11.0501 11.5066 11.5066 12.0499 12.0499 k = 0.2735-0.6055-1.1163 ( 5036 PWs) bands (ev): -16.6395 -16.6395 -16.6357 -16.6357 -16.6327 -16.6327 -16.6313 -16.6313 -13.6735 -13.6735 -13.6699 -13.6699 -13.6609 -13.6609 -13.6569 -13.6569 -13.6437 -13.6437 -13.6428 -13.6428 -4.8742 -4.8742 -4.6099 -4.6099 -4.4235 -4.4235 -2.6327 -2.6327 -2.6051 -2.6051 2.7468 2.7468 3.1103 3.1103 3.9362 3.9362 4.2668 4.2668 4.9208 4.9208 5.1908 5.1908 5.7668 5.7668 6.3620 6.3620 7.2261 7.2261 9.3600 9.3600 10.0901 10.0901 11.0953 11.0953 11.4800 11.4800 12.0901 12.0901 k = 0.2800-0.6199-1.1428 ( 5028 PWs) bands (ev): -16.6395 -16.6395 -16.6356 -16.6356 -16.6328 -16.6328 -16.6314 -16.6314 -13.6732 -13.6732 -13.6699 -13.6699 -13.6612 -13.6612 -13.6569 -13.6569 -13.6437 -13.6437 -13.6428 -13.6428 -4.8235 -4.8235 -4.5912 -4.5912 -4.4209 -4.4209 -2.6586 -2.6586 -2.6462 -2.6462 2.7312 2.7312 3.1075 3.1075 3.8895 3.8895 4.2146 4.2146 4.9186 4.9186 5.2235 5.2235 5.7345 5.7345 6.3525 6.3525 7.2201 7.2201 9.3580 9.3580 10.1318 10.1318 11.1176 11.1176 11.4721 11.4721 12.1147 12.1147 k = 0.2865-0.6344-1.1694 ( 5034 PWs) bands (ev): -16.6394 -16.6394 -16.6354 -16.6354 -16.6329 -16.6329 -16.6314 -16.6314 -13.6728 -13.6728 -13.6698 -13.6698 -13.6616 -13.6616 -13.6569 -13.6569 -13.6436 -13.6436 -13.6428 -13.6428 -4.7758 -4.7758 -4.5757 -4.5757 -4.4195 -4.4195 -2.6850 -2.6850 -2.6799 -2.6799 2.7193 2.7193 3.1117 3.1117 3.8423 3.8423 4.1635 4.1635 4.9103 4.9103 5.2477 5.2477 5.7172 5.7172 6.3531 6.3531 7.2140 7.2140 9.3521 9.3521 10.1672 10.1672 11.1106 11.1106 11.4896 11.4896 12.1190 12.1190 k = 0.2930-0.6488-1.1960 ( 5038 PWs) bands (ev): -16.6394 -16.6394 -16.6353 -16.6353 -16.6329 -16.6329 -16.6314 -16.6314 -13.6724 -13.6724 -13.6698 -13.6698 -13.6619 -13.6619 -13.6569 -13.6569 -13.6436 -13.6436 -13.6428 -13.6428 -4.7316 -4.7316 -4.5635 -4.5635 -4.4190 -4.4190 -2.7168 -2.7168 -2.7011 -2.7011 2.7113 2.7113 3.1227 3.1227 3.7952 3.7952 4.1140 4.1140 4.8956 4.8956 5.2585 5.2585 5.7195 5.7195 6.3639 6.3639 7.2079 7.2079 9.3423 9.3423 10.1953 10.1953 11.0780 11.0780 11.5285 11.5285 12.1131 12.1131 k = 0.2995-0.6632-1.2226 ( 5040 PWs) bands (ev): -16.6394 -16.6394 -16.6352 -16.6352 -16.6330 -16.6330 -16.6314 -16.6314 -13.6720 -13.6720 -13.6697 -13.6697 -13.6623 -13.6623 -13.6569 -13.6569 -13.6436 -13.6436 -13.6429 -13.6429 -4.6915 -4.6915 -4.5546 -4.5546 -4.4194 -4.4194 -2.7445 -2.7445 -2.7188 -2.7188 2.7074 2.7074 3.1398 3.1398 3.7488 3.7488 4.0663 4.0663 4.8749 4.8749 5.2535 5.2535 5.7430 5.7430 6.3845 6.3845 7.2020 7.2020 9.3286 9.3286 10.2150 10.2150 11.0291 11.0291 11.5794 11.5794 12.1056 12.1056 k = 0.3060-0.6776-1.2492 ( 5048 PWs) bands (ev): -16.6393 -16.6393 -16.6351 -16.6351 -16.6331 -16.6331 -16.6314 -16.6314 -13.6716 -13.6716 -13.6697 -13.6697 -13.6626 -13.6626 -13.6569 -13.6569 -13.6435 -13.6435 -13.6429 -13.6429 -4.6562 -4.6562 -4.5488 -4.5488 -4.4204 -4.4204 -2.7670 -2.7670 -2.7338 -2.7338 2.7077 2.7077 3.1627 3.1627 3.7038 3.7038 4.0208 4.0208 4.8487 4.8487 5.2345 5.2345 5.7852 5.7852 6.4140 6.4140 7.1965 7.1965 9.3112 9.3112 10.2254 10.2254 10.9712 10.9712 11.6348 11.6348 12.1001 12.1001 k = 0.3125-0.6920-1.2757 ( 5042 PWs) bands (ev): -16.6393 -16.6393 -16.6350 -16.6350 -16.6331 -16.6331 -16.6314 -16.6314 -13.6712 -13.6712 -13.6698 -13.6698 -13.6628 -13.6628 -13.6569 -13.6569 -13.6435 -13.6435 -13.6430 -13.6430 -4.6263 -4.6263 -4.5458 -4.5458 -4.4218 -4.4218 -2.7840 -2.7840 -2.7462 -2.7462 2.7124 2.7124 3.1905 3.1905 3.6608 3.6608 3.9777 3.9777 4.8178 4.8178 5.2056 5.2056 5.8414 5.8414 6.4515 6.4515 7.1916 7.1916 9.2901 9.2901 10.2256 10.2256 10.9088 10.9088 11.6900 11.6900 12.0986 12.0986 k = 0.3190-0.7064-1.3023 ( 5046 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6331 -16.6331 -16.6315 -16.6315 -13.6709 -13.6709 -13.6699 -13.6699 -13.6631 -13.6631 -13.6569 -13.6569 -13.6435 -13.6435 -13.6430 -13.6430 -4.6028 -4.6028 -4.5451 -4.5451 -4.4233 -4.4233 -2.7953 -2.7953 -2.7563 -2.7563 2.7215 2.7215 3.2221 3.2221 3.6209 3.6209 3.9375 3.9375 4.7833 4.7833 5.1706 5.1706 5.9071 5.9071 6.4956 6.4956 7.1877 7.1877 9.2653 9.2653 10.2149 10.2149 10.8447 10.8447 11.7419 11.7419 12.1019 12.1019 k = 0.3255-0.7209-1.3289 ( 5048 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6332 -16.6332 -16.6315 -16.6315 -13.6706 -13.6706 -13.6700 -13.6700 -13.6632 -13.6632 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5868 -4.5868 -4.5456 -4.5456 -4.4247 -4.4247 -2.8007 -2.8007 -2.7641 -2.7641 2.7348 2.7348 3.2558 3.2558 3.5857 3.5857 3.9005 3.9005 4.7460 4.7460 5.1322 5.1322 5.9789 5.9789 6.5452 6.5452 7.1852 7.1852 9.2371 9.2371 10.1927 10.1927 10.7811 10.7811 11.7878 11.7878 12.1108 12.1108 k = 0.3321-0.7353-1.3555 ( 5042 PWs) bands (ev): -16.6393 -16.6393 -16.6348 -16.6348 -16.6332 -16.6332 -16.6315 -16.6315 -13.6703 -13.6703 -13.6701 -13.6701 -13.6633 -13.6633 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5798 -4.5798 -4.5458 -4.5458 -4.4258 -4.4258 -2.8004 -2.8004 -2.7700 -2.7700 2.7520 2.7520 3.2887 3.2887 3.5578 3.5578 3.8673 3.8673 4.7070 4.7070 5.0922 5.0922 6.0541 6.0541 6.5989 6.5989 7.1845 7.1845 9.2056 9.2056 10.1588 10.1588 10.7195 10.7195 11.8258 11.8258 12.1254 12.1254 k = 0.3386-0.7497-1.3820 ( 5044 PWs) bands (ev): -16.6393 -16.6393 -16.6348 -16.6348 -16.6332 -16.6332 -16.6315 -16.6315 -13.6704 -13.6704 -13.6700 -13.6700 -13.6633 -13.6633 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5816 -4.5816 -4.5453 -4.5453 -4.4270 -4.4270 -2.7945 -2.7945 -2.7742 -2.7742 2.7727 2.7727 3.3159 3.3159 3.5417 3.5417 3.8389 3.8389 4.6671 4.6671 5.0517 5.0517 6.1306 6.1306 6.6555 6.6555 7.1862 7.1862 9.1709 9.1709 10.1135 10.1135 10.6609 10.6609 11.8548 11.8548 12.1451 12.1451 k = 0.6614-0.6420-1.3180 ( 5044 PWs) bands (ev): -16.6393 -16.6393 -16.6348 -16.6348 -16.6332 -16.6332 -16.6315 -16.6315 -13.6704 -13.6704 -13.6700 -13.6700 -13.6633 -13.6633 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5816 -4.5816 -4.5453 -4.5453 -4.4270 -4.4270 -2.7945 -2.7945 -2.7742 -2.7742 2.7727 2.7727 3.3159 3.3159 3.5417 3.5417 3.8389 3.8389 4.6671 4.6671 5.0517 5.0517 6.1306 6.1306 6.6555 6.6555 7.1862 7.1862 9.1709 9.1709 10.1135 10.1135 10.6609 10.6609 11.8548 11.8548 12.1451 12.1451 k = 0.6550-0.6120-1.3180 ( 5034 PWs) bands (ev): -16.6393 -16.6393 -16.6349 -16.6349 -16.6332 -16.6332 -16.6315 -16.6315 -13.6707 -13.6707 -13.6699 -13.6699 -13.6631 -13.6631 -13.6569 -13.6569 -13.6435 -13.6435 -13.6431 -13.6431 -4.5891 -4.5891 -4.5459 -4.5459 -4.4287 -4.4287 -2.7840 -2.7840 -2.7762 -2.7762 2.7957 2.7957 3.3314 3.3314 3.5422 3.5422 3.8169 3.8169 4.6274 4.6274 5.0120 5.0120 6.2057 6.2057 6.7134 6.7134 7.1908 7.1908 9.1336 9.1336 10.0585 10.0585 10.6065 10.6065 11.8742 11.8742 12.1682 12.1682 k = 0.6485-0.5821-1.3180 ( 5032 PWs) bands (ev): -16.6393 -16.6393 -16.6350 -16.6350 -16.6331 -16.6331 -16.6315 -16.6315 -13.6711 -13.6711 -13.6699 -13.6699 -13.6629 -13.6629 -13.6568 -13.6568 -13.6435 -13.6435 -13.6430 -13.6430 -4.6001 -4.6001 -4.5487 -4.5487 -4.4313 -4.4313 -2.7797 -2.7797 -2.7659 -2.7659 2.8201 2.8201 3.3344 3.3344 3.5585 3.5585 3.8036 3.8036 4.5884 4.5884 4.9732 4.9732 6.2783 6.2783 6.7716 6.7716 7.1990 7.1990 9.0937 9.0937 9.9952 9.9952 10.5555 10.5555 11.8848 11.8848 12.1926 12.1926 k = 0.6421-0.5521-1.3180 ( 5032 PWs) bands (ev): -16.6393 -16.6393 -16.6350 -16.6350 -16.6331 -16.6331 -16.6314 -16.6314 -13.6715 -13.6715 -13.6699 -13.6699 -13.6626 -13.6626 -13.6568 -13.6568 -13.6435 -13.6435 -13.6429 -13.6429 -4.6133 -4.6133 -4.5538 -4.5538 -4.4354 -4.4354 -2.7800 -2.7800 -2.7457 -2.7457 2.8442 2.8442 3.3304 3.3304 3.5820 3.5820 3.8034 3.8034 4.5510 4.5510 4.9358 4.9358 6.3466 6.3466 6.8291 6.8291 7.2115 7.2115 9.0517 9.0517 9.9258 9.9258 10.5078 10.5078 11.8868 11.8868 12.2163 12.2163 k = 0.6356-0.5221-1.3180 ( 5036 PWs) bands (ev): -16.6393 -16.6393 -16.6352 -16.6352 -16.6330 -16.6330 -16.6314 -16.6314 -13.6719 -13.6719 -13.6700 -13.6700 -13.6623 -13.6623 -13.6568 -13.6568 -13.6435 -13.6435 -13.6427 -13.6427 -4.6281 -4.6281 -4.5608 -4.5608 -4.4411 -4.4411 -2.7799 -2.7799 -2.7213 -2.7213 2.8659 2.8659 3.3264 3.3264 3.6021 3.6021 3.8209 3.8209 4.5160 4.5160 4.9002 4.9002 6.4088 6.4088 6.8845 6.8845 7.2287 7.2287 9.0081 9.0081 9.8527 9.8527 10.4629 10.4629 11.8807 11.8807 12.2372 12.2372 k = 0.6291-0.4921-1.3180 ( 5034 PWs) bands (ev): -16.6394 -16.6394 -16.6353 -16.6353 -16.6329 -16.6329 -16.6314 -16.6314 -13.6723 -13.6723 -13.6702 -13.6702 -13.6619 -13.6619 -13.6568 -13.6568 -13.6436 -13.6436 -13.6425 -13.6425 -4.6441 -4.6441 -4.5692 -4.5692 -4.4486 -4.4486 -2.7794 -2.7794 -2.6937 -2.6937 2.8828 2.8828 3.3274 3.3274 3.6144 3.6144 3.8566 3.8566 4.4847 4.4847 4.8668 4.8668 6.4635 6.4635 6.9364 6.9364 7.2508 7.2508 8.9634 8.9634 9.7786 9.7786 10.4205 10.4205 11.8665 11.8665 12.2539 12.2539 k = 0.6227-0.4621-1.3180 ( 5036 PWs) bands (ev): -16.6394 -16.6394 -16.6354 -16.6354 -16.6328 -16.6328 -16.6314 -16.6314 -13.6728 -13.6728 -13.6704 -13.6704 -13.6615 -13.6615 -13.6568 -13.6568 -13.6436 -13.6436 -13.6423 -13.6423 -4.6608 -4.6608 -4.5786 -4.5786 -4.4576 -4.4576 -2.7785 -2.7785 -2.6634 -2.6634 2.8930 2.8930 3.3358 3.3358 3.6218 3.6218 3.9052 3.9052 4.4587 4.4587 4.8358 4.8358 6.5094 6.5094 6.9836 6.9836 7.2768 7.2768 8.9188 8.9188 9.7060 9.7060 10.3802 10.3802 11.8441 11.8441 12.2652 12.2652 k = 0.6162-0.4321-1.3180 ( 5040 PWs) bands (ev): -16.6394 -16.6394 -16.6356 -16.6356 -16.6327 -16.6327 -16.6313 -16.6313 -13.6733 -13.6733 -13.6707 -13.6707 -13.6611 -13.6611 -13.6567 -13.6567 -13.6435 -13.6435 -13.6421 -13.6421 -4.6780 -4.6780 -4.5887 -4.5887 -4.4680 -4.4680 -2.7774 -2.7774 -2.6312 -2.6312 2.8957 2.8957 3.3515 3.3515 3.6300 3.6300 3.9592 3.9592 4.4406 4.4406 4.8078 4.8078 6.5463 6.5463 7.0245 7.0245 7.3053 7.3053 8.8754 8.8754 9.6375 9.6375 10.3421 10.3421 11.8132 11.8132 12.2705 12.2705 k = 0.6098-0.4021-1.3180 ( 5044 PWs) bands (ev): -16.6394 -16.6394 -16.6358 -16.6358 -16.6326 -16.6326 -16.6313 -16.6313 -13.6738 -13.6738 -13.6710 -13.6710 -13.6607 -13.6607 -13.6567 -13.6567 -13.6435 -13.6435 -13.6419 -13.6419 -4.6954 -4.6954 -4.5992 -4.5992 -4.4796 -4.4796 -2.7762 -2.7762 -2.5976 -2.5976 2.8913 2.8913 3.3715 3.3715 3.6438 3.6438 4.0115 4.0115 4.4340 4.4340 4.7833 4.7833 6.5741 6.5741 7.0577 7.0577 7.3334 7.3334 8.8350 8.8350 9.5757 9.5757 10.3060 10.3060 11.7739 11.7739 12.2691 12.2691 k = 0.6033-0.3721-1.3180 ( 5042 PWs) bands (ev): -16.6395 -16.6395 -16.6359 -16.6359 -16.6325 -16.6325 -16.6313 -16.6313 -13.6742 -13.6742 -13.6713 -13.6713 -13.6603 -13.6603 -13.6566 -13.6566 -13.6435 -13.6435 -13.6416 -13.6416 -4.7129 -4.7129 -4.6100 -4.6100 -4.4919 -4.4919 -2.7750 -2.7750 -2.5633 -2.5633 2.8813 2.8813 3.3915 3.3915 3.6671 3.6671 4.0557 4.0557 4.4430 4.4430 4.7634 4.7634 6.5936 6.5936 7.0818 7.0818 7.3576 7.3576 8.7996 8.7996 9.5228 9.5228 10.2721 10.2721 11.7266 11.7266 12.2610 12.2610 k = 0.5969-0.3421-1.3180 ( 5042 PWs) bands (ev): -16.6395 -16.6395 -16.6361 -16.6361 -16.6324 -16.6324 -16.6312 -16.6312 -13.6747 -13.6747 -13.6717 -13.6717 -13.6599 -13.6599 -13.6566 -13.6566 -13.6434 -13.6434 -13.6414 -13.6414 -4.7302 -4.7302 -4.6209 -4.6209 -4.5048 -4.5048 -2.7739 -2.7739 -2.5286 -2.5286 2.8674 2.8674 3.4079 3.4079 3.7014 3.7014 4.0881 4.0881 4.4694 4.4694 4.7504 4.7504 6.6056 6.6056 7.0957 7.0957 7.3738 7.3738 8.7714 8.7714 9.4811 9.4811 10.2403 10.2403 11.6719 11.6719 12.2458 12.2458 k = 0.5904-0.3122-1.3180 ( 5032 PWs) bands (ev): -16.6395 -16.6395 -16.6363 -16.6363 -16.6323 -16.6323 -16.6312 -16.6312 -13.6751 -13.6751 -13.6721 -13.6721 -13.6596 -13.6596 -13.6565 -13.6565 -13.6433 -13.6433 -13.6411 -13.6411 -4.7470 -4.7470 -4.6317 -4.6317 -4.5179 -4.5179 -2.7728 -2.7728 -2.4942 -2.4942 2.8511 2.8511 3.4194 3.4194 3.7447 3.7447 4.1103 4.1103 4.5083 4.5083 4.7485 4.7485 6.6108 6.6108 7.0982 7.0982 7.3784 7.3784 8.7525 8.7525 9.4524 9.4524 10.2109 10.2109 11.6107 11.6107 12.2236 12.2236 k = 0.5839-0.2822-1.3180 ( 5028 PWs) bands (ev): -16.6395 -16.6395 -16.6365 -16.6365 -16.6322 -16.6322 -16.6312 -16.6312 -13.6755 -13.6755 -13.6725 -13.6725 -13.6593 -13.6593 -13.6564 -13.6564 -13.6432 -13.6432 -13.6408 -13.6408 -4.7634 -4.7634 -4.6423 -4.6423 -4.5310 -4.5310 -2.7720 -2.7720 -2.4605 -2.4605 2.8335 2.8335 3.4265 3.4265 3.7916 3.7916 4.1294 4.1294 4.5472 4.5472 4.7662 4.7662 6.6099 6.6099 7.0887 7.0887 7.3689 7.3689 8.7441 8.7441 9.4378 9.4378 10.1839 10.1839 11.5447 11.5447 12.1946 12.1946 k = 0.5775-0.2522-1.3180 ( 5028 PWs) bands (ev): -16.6395 -16.6395 -16.6367 -16.6367 -16.6321 -16.6321 -16.6311 -16.6311 -13.6759 -13.6759 -13.6729 -13.6729 -13.6590 -13.6590 -13.6563 -13.6563 -13.6431 -13.6431 -13.6405 -13.6405 -4.7790 -4.7790 -4.6525 -4.6525 -4.5438 -4.5438 -2.7712 -2.7712 -2.4279 -2.4279 2.8155 2.8155 3.4306 3.4306 3.8345 3.8345 4.1551 4.1551 4.5729 4.5729 4.8120 4.8120 6.6031 6.6031 7.0670 7.0670 7.3444 7.3444 8.7461 8.7461 9.4383 9.4383 10.1594 10.1594 11.4754 11.4754 12.1589 12.1589 k = 0.5710-0.2222-1.3180 ( 5018 PWs) bands (ev): -16.6395 -16.6395 -16.6369 -16.6369 -16.6320 -16.6320 -16.6311 -16.6311 -13.6763 -13.6763 -13.6733 -13.6733 -13.6588 -13.6588 -13.6561 -13.6561 -13.6430 -13.6430 -13.6403 -13.6403 -4.7938 -4.7938 -4.6624 -4.6624 -4.5562 -4.5562 -2.7706 -2.7706 -2.3966 -2.3966 2.7977 2.7977 3.4328 3.4328 3.8659 3.8659 4.1953 4.1953 4.5843 4.5843 4.8837 4.8837 6.5901 6.5901 7.0333 7.0333 7.3063 7.3063 8.7568 8.7568 9.4539 9.4539 10.1378 10.1378 11.4044 11.4044 12.1171 12.1171 k = 0.5646-0.1922-1.3180 ( 5020 PWs) bands (ev): -16.6395 -16.6395 -16.6371 -16.6371 -16.6319 -16.6319 -16.6311 -16.6311 -13.6766 -13.6766 -13.6737 -13.6737 -13.6586 -13.6586 -13.6560 -13.6560 -13.6429 -13.6429 -13.6400 -13.6400 -4.8077 -4.8077 -4.6717 -4.6717 -4.5680 -4.5680 -2.7702 -2.7702 -2.3671 -2.3671 2.7806 2.7806 3.4340 3.4340 3.8829 3.8829 4.2525 4.2525 4.5888 4.5888 4.9719 4.9719 6.5702 6.5702 6.9885 6.9885 7.2573 7.2573 8.7739 8.7739 9.4840 9.4840 10.1191 10.1191 11.3331 11.3331 12.0698 12.0698 k = 0.5581-0.1622-1.3180 ( 5012 PWs) bands (ev): -16.6395 -16.6395 -16.6373 -16.6373 -16.6319 -16.6319 -16.6311 -16.6311 -13.6769 -13.6769 -13.6741 -13.6741 -13.6585 -13.6585 -13.6559 -13.6559 -13.6427 -13.6427 -13.6397 -13.6397 -4.8205 -4.8205 -4.6804 -4.6804 -4.5790 -4.5790 -2.7699 -2.7699 -2.3397 -2.3397 2.7645 2.7645 3.4347 3.4347 3.8882 3.8882 4.3219 4.3219 4.5934 4.5934 5.0698 5.0698 6.5424 6.5424 6.9336 6.9336 7.2015 7.2015 8.7945 8.7945 9.5269 9.5269 10.1041 10.1041 11.2626 11.2626 12.0185 12.0185 k = 0.5517-0.1322-1.3180 ( 5014 PWs) bands (ev): -16.6395 -16.6395 -16.6375 -16.6375 -16.6318 -16.6318 -16.6310 -16.6310 -13.6772 -13.6772 -13.6744 -13.6744 -13.6584 -13.6584 -13.6558 -13.6558 -13.6426 -13.6426 -13.6395 -13.6395 -4.8322 -4.8322 -4.6885 -4.6885 -4.5892 -4.5892 -2.7697 -2.7697 -2.3145 -2.3145 2.7496 2.7496 3.4351 3.4351 3.8863 3.8863 4.3939 4.3939 4.6052 4.6052 5.1735 5.1735 6.5052 6.5052 6.8701 6.8701 7.1435 7.1435 8.8161 8.8161 9.5801 9.5801 10.0935 10.0935 11.1932 11.1932 11.9654 11.9654 k = 0.5452-0.1022-1.3180 ( 5016 PWs) bands (ev): -16.6394 -16.6394 -16.6377 -16.6377 -16.6317 -16.6317 -16.6310 -16.6310 -13.6774 -13.6774 -13.6748 -13.6748 -13.6583 -13.6583 -13.6556 -13.6556 -13.6425 -13.6425 -13.6393 -13.6393 -4.8427 -4.8427 -4.6957 -4.6957 -4.5983 -4.5983 -2.7696 -2.7696 -2.2918 -2.2918 2.7362 2.7362 3.4355 3.4355 3.8806 3.8806 4.4537 4.4537 4.6355 4.6355 5.2809 5.2809 6.4577 6.4577 6.7992 6.7992 7.0878 7.0878 8.8370 8.8370 9.6397 9.6397 10.0892 10.0892 11.1248 11.1248 11.9130 11.9130 k = 0.5387-0.0723-1.3180 ( 5022 PWs) bands (ev): -16.6394 -16.6394 -16.6379 -16.6379 -16.6316 -16.6316 -16.6310 -16.6310 -13.6776 -13.6776 -13.6751 -13.6751 -13.6583 -13.6583 -13.6555 -13.6555 -13.6424 -13.6424 -13.6391 -13.6391 -4.8519 -4.8519 -4.7022 -4.7022 -4.6064 -4.6064 -2.7696 -2.7696 -2.2718 -2.2718 2.7243 2.7243 3.4359 3.4359 3.8733 3.8733 4.4888 4.4888 4.6939 4.6939 5.3902 5.3902 6.3998 6.3998 6.7219 6.7219 7.0382 7.0382 8.8558 8.8558 9.7005 9.7005 10.0937 10.0937 11.0570 11.0570 11.8639 11.8639 k = 0.5323-0.0423-1.3180 ( 5028 PWs) bands (ev): -16.6393 -16.6393 -16.6381 -16.6381 -16.6316 -16.6316 -16.6310 -16.6310 -13.6778 -13.6778 -13.6754 -13.6754 -13.6582 -13.6582 -13.6555 -13.6555 -13.6423 -13.6423 -13.6389 -13.6389 -4.8598 -4.8598 -4.7077 -4.7077 -4.6134 -4.6134 -2.7697 -2.7697 -2.2546 -2.2546 2.7141 2.7141 3.4363 3.4363 3.8658 3.8658 4.5042 4.5042 4.7722 4.7722 5.5001 5.5001 6.3337 6.3337 6.6391 6.6391 6.9971 6.9971 8.8720 8.8720 9.7557 9.7557 10.1109 10.1109 10.9890 10.9890 11.8206 11.8206 k = 0.5258-0.0123-1.3180 ( 5026 PWs) bands (ev): -16.6392 -16.6392 -16.6382 -16.6382 -16.6315 -16.6315 -16.6310 -16.6310 -13.6779 -13.6779 -13.6756 -13.6756 -13.6582 -13.6582 -13.6554 -13.6554 -13.6422 -13.6422 -13.6388 -13.6388 -4.8663 -4.8663 -4.7123 -4.7123 -4.6191 -4.6191 -2.7697 -2.7697 -2.2404 -2.2404 2.7057 2.7057 3.4367 3.4367 3.8588 3.8588 4.5105 4.5105 4.8560 4.8560 5.6093 5.6093 6.2631 6.2631 6.5521 6.5521 6.9651 6.9651 8.8853 8.8853 9.7991 9.7991 10.1441 10.1441 10.9210 10.9210 11.7847 11.7847 k = 0.5194 0.0177-1.3180 ( 5036 PWs) bands (ev): -16.6392 -16.6392 -16.6384 -16.6384 -16.6314 -16.6314 -16.6310 -16.6310 -13.6780 -13.6780 -13.6758 -13.6758 -13.6582 -13.6582 -13.6553 -13.6553 -13.6421 -13.6421 -13.6387 -13.6387 -4.8714 -4.8714 -4.7160 -4.7160 -4.6236 -4.6236 -2.7698 -2.7698 -2.2292 -2.2292 2.6991 2.6991 3.4371 3.4371 3.8530 3.8530 4.5132 4.5132 4.9352 4.9352 5.7154 5.7154 6.1940 6.1940 6.4631 6.4631 6.9419 6.9419 8.8955 8.8955 9.8279 9.8279 10.1916 10.1916 10.8540 10.8540 11.7573 11.7573 k = 0.5129 0.0477-1.3180 ( 5030 PWs) bands (ev): -16.6391 -16.6391 -16.6385 -16.6385 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6759 -13.6759 -13.6582 -13.6582 -13.6553 -13.6553 -13.6420 -13.6420 -13.6386 -13.6386 -4.8751 -4.8751 -4.7186 -4.7186 -4.6269 -4.6269 -2.7698 -2.7698 -2.2212 -2.2212 2.6943 2.6943 3.4373 3.4373 3.8486 3.8486 4.5143 4.5143 5.0015 5.0015 5.8144 5.8144 6.1336 6.1336 6.3772 6.3772 6.9262 6.9262 8.9027 8.9027 9.8442 9.8442 10.2451 10.2451 10.7922 10.7922 11.7385 11.7385 k = 0.5065 0.0777-1.3180 ( 5022 PWs) bands (ev): -16.6390 -16.6390 -16.6387 -16.6387 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8773 -4.8773 -4.7202 -4.7202 -4.6288 -4.6288 -2.7699 -2.7699 -2.2163 -2.2163 2.6915 2.6915 3.4375 3.4375 3.8459 3.8459 4.5148 4.5148 5.0464 5.0464 5.8957 5.8957 6.0897 6.0897 6.3059 6.3059 6.9173 6.9173 8.9069 8.9069 9.8522 9.8522 10.2902 10.2902 10.7445 10.7445 11.7277 11.7277 k = 0.5000 0.1077-1.3180 ( 5026 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6761 -13.6761 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8780 -4.8780 -4.7207 -4.7207 -4.6295 -4.6295 -2.7699 -2.7699 -2.2147 -2.2147 2.6905 2.6905 3.4376 3.4376 3.8450 3.8450 4.5149 4.5149 5.0624 5.0624 5.9319 5.9319 6.0719 6.0719 6.2751 6.2751 6.9144 6.9144 8.9084 8.9084 9.8545 9.8545 10.3085 10.3085 10.7257 10.7257 11.7243 11.7243 k = 0.5000 0.1077-1.3180 ( 5026 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6761 -13.6761 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8780 -4.8780 -4.7207 -4.7207 -4.6295 -4.6295 -2.7699 -2.7699 -2.2147 -2.2147 2.6905 2.6905 3.4376 3.4376 3.8450 3.8450 4.5149 4.5149 5.0624 5.0624 5.9319 5.9319 6.0719 6.0719 6.2751 6.2751 6.9144 6.9144 8.9084 8.9084 9.8545 9.8545 10.3085 10.3085 10.7257 10.7257 11.7243 11.7243 k = 0.5269 0.1135-1.3073 ( 5024 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6761 -13.6761 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8780 -4.8780 -4.7216 -4.7216 -4.6291 -4.6291 -2.7687 -2.7687 -2.2156 -2.2156 2.6880 2.6880 3.4413 3.4413 3.8474 3.8474 4.5163 4.5163 5.0582 5.0582 5.9087 5.9087 6.0854 6.0854 6.2891 6.2891 6.9098 6.9098 8.9085 8.9085 9.8524 9.8524 10.3111 10.3111 10.7231 10.7231 11.7131 11.7131 k = 0.5538 0.1193-1.2966 ( 5020 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8779 -4.8779 -4.7242 -4.7242 -4.6279 -4.6279 -2.7651 -2.7651 -2.2181 -2.2181 2.6806 2.6806 3.4524 3.4524 3.8547 3.8547 4.5205 4.5205 5.0459 5.0459 5.8567 5.8567 6.1112 6.1112 6.3274 6.3274 6.8966 6.8966 8.9084 8.9084 9.8470 9.8470 10.3182 10.3182 10.7158 10.7158 11.6920 11.6920 k = 0.5807 0.1250-1.2859 ( 5023 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8779 -4.8779 -4.7285 -4.7285 -4.6258 -4.6258 -2.7594 -2.7594 -2.2222 -2.2222 2.6689 2.6689 3.4702 3.4702 3.8666 3.8666 4.5276 4.5276 5.0263 5.0263 5.7940 5.7940 6.1384 6.1384 6.3810 6.3810 6.8765 6.8765 8.9066 8.9066 9.8405 9.8405 10.3277 10.3277 10.7045 10.7045 11.6743 11.6743 k = 0.6076 0.1308-1.2752 ( 5020 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8778 -4.8778 -4.7346 -4.7346 -4.6228 -4.6228 -2.7515 -2.7515 -2.2277 -2.2277 2.6537 2.6537 3.4939 3.4939 3.8832 3.8832 4.5374 4.5374 5.0003 5.0003 5.7275 5.7275 6.1658 6.1658 6.4409 6.4409 6.8525 6.8525 8.9010 8.9010 9.8362 9.8362 10.3372 10.3372 10.6915 10.6915 11.6646 11.6646 k = 0.6345 0.1366-1.2646 ( 5016 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8776 -4.8776 -4.7423 -4.7423 -4.6190 -4.6190 -2.7418 -2.7418 -2.2344 -2.2344 2.6358 2.6358 3.5227 3.5227 3.9040 3.9040 4.5499 4.5499 4.9693 4.9693 5.6600 5.6600 6.1932 6.1932 6.4987 6.4987 6.8306 6.8306 8.8892 8.8892 9.8368 9.8368 10.3437 10.3437 10.6796 10.6796 11.6642 11.6642 k = 0.6614 0.1424-1.2539 ( 5018 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6386 -13.6386 -4.8775 -4.8775 -4.7515 -4.7515 -4.6143 -4.6143 -2.7307 -2.7307 -2.2421 -2.2421 2.6160 2.6160 3.5558 3.5558 3.9287 3.9287 4.5652 4.5652 4.9344 4.9344 5.5928 5.5928 6.2187 6.2187 6.5441 6.5441 6.8210 6.8210 8.8696 8.8696 9.8440 9.8440 10.3447 10.3447 10.6725 10.6725 11.6724 11.6724 k = 0.6614 0.1424-1.2539 ( 5018 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6386 -13.6386 -4.8775 -4.8775 -4.7515 -4.7515 -4.6143 -4.6143 -2.7307 -2.7307 -2.2421 -2.2421 2.6160 2.6160 3.5558 3.5558 3.9287 3.9287 4.5652 4.5652 4.9344 4.9344 5.5928 5.5928 6.2187 6.2187 6.5441 6.5441 6.8210 6.8210 8.8696 8.8696 9.8440 9.8440 10.3447 10.3447 10.6725 10.6725 11.6724 11.6724 k = 0.6577 0.1416-1.2232 ( 5023 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6781 -13.6781 -13.6759 -13.6759 -13.6582 -13.6582 -13.6552 -13.6552 -13.6421 -13.6421 -13.6386 -13.6386 -4.8919 -4.8919 -4.7805 -4.7805 -4.5938 -4.5938 -2.7084 -2.7084 -2.2427 -2.2427 2.6455 2.6455 3.5175 3.5175 3.9434 3.9434 4.5746 4.5746 4.9304 4.9304 5.5856 5.5856 6.2347 6.2347 6.5610 6.5610 6.8568 6.8568 8.8467 8.8467 9.8138 9.8138 10.3408 10.3408 10.6663 10.6663 11.6797 11.6797 k = 0.6539 0.1408-1.1926 ( 5027 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6780 -13.6780 -13.6758 -13.6758 -13.6582 -13.6582 -13.6553 -13.6553 -13.6422 -13.6422 -13.6388 -13.6388 -4.9153 -4.9153 -4.8147 -4.8147 -4.5698 -4.5698 -2.6801 -2.6801 -2.2390 -2.2390 2.6774 2.6774 3.4841 3.4841 3.9635 3.9635 4.5870 4.5870 4.9284 4.9284 5.5794 5.5794 6.2505 6.2505 6.5772 6.5772 6.8931 6.8931 8.8243 8.8243 9.7885 9.7885 10.3365 10.3365 10.6616 10.6616 11.6879 11.6879 k = 0.6502 0.1400-1.1619 ( 5031 PWs) bands (ev): -16.6390 -16.6390 -16.6388 -16.6388 -16.6315 -16.6315 -16.6310 -16.6310 -13.6779 -13.6779 -13.6757 -13.6757 -13.6582 -13.6582 -13.6553 -13.6553 -13.6424 -13.6424 -13.6389 -13.6389 -4.9456 -4.9456 -4.8526 -4.8526 -4.5451 -4.5451 -2.6467 -2.6467 -2.2306 -2.2306 2.7108 2.7108 3.4570 3.4570 3.9880 3.9880 4.6024 4.6024 4.9285 4.9285 5.5743 5.5743 6.2663 6.2663 6.5924 6.5924 6.9290 6.9290 8.8028 8.8028 9.7684 9.7684 10.3319 10.3319 10.6582 10.6582 11.6969 11.6969 k = 0.6464 0.1392-1.1313 ( 5045 PWs) bands (ev): -16.6390 -16.6390 -16.6388 -16.6388 -16.6315 -16.6315 -16.6310 -16.6310 -13.6778 -13.6778 -13.6755 -13.6755 -13.6582 -13.6582 -13.6553 -13.6553 -13.6426 -13.6426 -13.6391 -13.6391 -4.9814 -4.9814 -4.8933 -4.8933 -4.5213 -4.5213 -2.6092 -2.6092 -2.2175 -2.2175 2.7448 2.7448 3.4377 3.4377 4.0165 4.0165 4.6208 4.6208 4.9307 4.9307 5.5706 5.5706 6.2822 6.2822 6.6065 6.6065 6.9636 6.9636 8.7825 8.7825 9.7537 9.7537 10.3271 10.3271 10.6560 10.6560 11.7063 11.7063 k = 0.6427 0.1384-1.1006 ( 5041 PWs) bands (ev): -16.6390 -16.6390 -16.6389 -16.6389 -16.6316 -16.6316 -16.6310 -16.6310 -13.6777 -13.6777 -13.6753 -13.6753 -13.6582 -13.6582 -13.6554 -13.6554 -13.6428 -13.6428 -13.6394 -13.6394 -5.0215 -5.0215 -4.9362 -4.9362 -4.4994 -4.4994 -2.5687 -2.5687 -2.1992 -2.1992 2.7786 2.7786 3.4275 3.4275 4.0486 4.0486 4.6420 4.6420 4.9351 4.9351 5.5683 5.5683 6.2982 6.2982 6.6194 6.6194 6.9964 6.9964 8.7639 8.7639 9.7444 9.7444 10.3221 10.3221 10.6548 10.6548 11.7158 11.7158 k = 0.6389 0.1376-1.0700 ( 5043 PWs) bands (ev): -16.6391 -16.6391 -16.6389 -16.6389 -16.6316 -16.6316 -16.6310 -16.6310 -13.6775 -13.6775 -13.6750 -13.6750 -13.6582 -13.6582 -13.6554 -13.6554 -13.6430 -13.6430 -13.6396 -13.6396 -5.0650 -5.0650 -4.9808 -4.9808 -4.4799 -4.4799 -2.5264 -2.5264 -2.1754 -2.1754 2.8111 2.8111 3.4275 3.4275 4.0839 4.0839 4.6660 4.6660 4.9418 4.9418 5.5675 5.5675 6.3143 6.3143 6.6307 6.6307 7.0269 7.0269 8.7472 8.7472 9.7405 9.7405 10.3168 10.3168 10.6545 10.6545 11.7249 11.7249 k = 0.6352 0.1368-1.0393 ( 5040 PWs) bands (ev): -16.6392 -16.6392 -16.6390 -16.6390 -16.6317 -16.6317 -16.6310 -16.6310 -13.6773 -13.6773 -13.6748 -13.6748 -13.6582 -13.6582 -13.6555 -13.6555 -13.6433 -13.6433 -13.6399 -13.6399 -5.1114 -5.1114 -5.0266 -5.0266 -4.4632 -4.4632 -2.4834 -2.4834 -2.1459 -2.1459 2.8418 2.8418 3.4385 3.4385 4.1221 4.1221 4.6926 4.6926 4.9510 4.9510 5.5684 5.5684 6.3305 6.3305 6.6401 6.6401 7.0552 7.0552 8.7325 8.7325 9.7416 9.7416 10.3111 10.3111 10.6554 10.6554 11.7332 11.7332 k = 0.6314 0.1360-1.0087 ( 5032 PWs) bands (ev): -16.6392 -16.6392 -16.6390 -16.6390 -16.6317 -16.6317 -16.6309 -16.6309 -13.6771 -13.6771 -13.6745 -13.6745 -13.6582 -13.6582 -13.6556 -13.6556 -13.6436 -13.6436 -13.6403 -13.6403 -5.1600 -5.1600 -5.0734 -5.0734 -4.4494 -4.4494 -2.4408 -2.4408 -2.1103 -2.1103 2.8704 2.8704 3.4607 3.4607 4.1630 4.1630 4.7216 4.7216 4.9631 4.9631 5.5710 5.5710 6.3469 6.3469 6.6473 6.6473 7.0814 7.0814 8.7196 8.7196 9.7474 9.7474 10.3048 10.3048 10.6574 10.6574 11.7403 11.7403 k = 0.6276 0.1352-0.9780 ( 5037 PWs) bands (ev): -16.6393 -16.6393 -16.6391 -16.6391 -16.6318 -16.6318 -16.6309 -16.6309 -13.6769 -13.6769 -13.6742 -13.6742 -13.6582 -13.6582 -13.6556 -13.6556 -13.6439 -13.6439 -13.6406 -13.6406 -5.2103 -5.2103 -5.1207 -5.1207 -4.4386 -4.4386 -2.3996 -2.3996 -2.0687 -2.0687 2.8974 2.8974 3.4938 3.4938 4.2062 4.2062 4.7526 4.7526 4.9784 4.9784 5.5753 5.5753 6.3632 6.3632 6.6519 6.6519 7.1060 7.1060 8.7085 8.7085 9.7574 9.7574 10.2977 10.2977 10.6608 10.6608 11.7457 11.7457 k = 0.6239 0.1343-0.9474 ( 5047 PWs) bands (ev): -16.6394 -16.6394 -16.6391 -16.6391 -16.6318 -16.6318 -16.6309 -16.6309 -13.6767 -13.6767 -13.6739 -13.6739 -13.6583 -13.6583 -13.6557 -13.6557 -13.6443 -13.6443 -13.6410 -13.6410 -5.2618 -5.2618 -5.1685 -5.1685 -4.4306 -4.4306 -2.3604 -2.3604 -2.0210 -2.0210 2.9235 2.9235 3.5369 3.5369 4.2515 4.2515 4.7849 4.7849 4.9975 4.9975 5.5814 5.5814 6.3793 6.3793 6.6537 6.6537 7.1295 7.1295 8.6984 8.6984 9.7711 9.7711 10.2895 10.2895 10.6658 10.6658 11.7490 11.7490 k = 0.6201 0.1335-0.9167 ( 5039 PWs) bands (ev): -16.6395 -16.6395 -16.6392 -16.6392 -16.6319 -16.6319 -16.6309 -16.6309 -13.6764 -13.6764 -13.6735 -13.6735 -13.6583 -13.6583 -13.6558 -13.6558 -13.6447 -13.6447 -13.6414 -13.6414 -5.3140 -5.3140 -5.2165 -5.2165 -4.4254 -4.4254 -2.3235 -2.3235 -1.9679 -1.9679 2.9500 2.9500 3.5889 3.5889 4.2986 4.2986 4.8180 4.8180 5.0213 5.0213 5.5893 5.5893 6.3950 6.3950 6.6528 6.6528 7.1527 7.1527 8.6890 8.6890 9.7875 9.7875 10.2798 10.2798 10.6728 10.6728 11.7498 11.7498 k = 0.6164 0.1327-0.8861 ( 5038 PWs) bands (ev): -16.6396 -16.6396 -16.6393 -16.6393 -16.6319 -16.6319 -16.6309 -16.6309 -13.6762 -13.6762 -13.6732 -13.6732 -13.6583 -13.6583 -13.6559 -13.6559 -13.6451 -13.6451 -13.6419 -13.6419 -5.3667 -5.3667 -5.2645 -5.2645 -4.4228 -4.4228 -2.2890 -2.2890 -1.9100 -1.9100 2.9781 2.9781 3.6483 3.6483 4.3471 4.3471 4.8509 4.8509 5.0505 5.0505 5.5991 5.5991 6.4099 6.4099 6.6494 6.6494 7.1762 7.1762 8.6796 8.6796 9.8058 9.8058 10.2683 10.2683 10.6822 10.6822 11.7479 11.7479 k = 0.6126 0.1319-0.8554 ( 5048 PWs) bands (ev): -16.6397 -16.6397 -16.6394 -16.6394 -16.6320 -16.6320 -16.6309 -16.6309 -13.6759 -13.6759 -13.6729 -13.6729 -13.6582 -13.6582 -13.6560 -13.6560 -13.6455 -13.6455 -13.6423 -13.6423 -5.4193 -5.4193 -5.3124 -5.3124 -4.4227 -4.4227 -2.2568 -2.2568 -1.8482 -1.8482 3.0089 3.0089 3.7139 3.7139 4.3967 4.3967 4.8830 4.8830 5.0859 5.0859 5.6109 5.6109 6.4234 6.4234 6.6441 6.6441 7.2005 7.2005 8.6694 8.6694 9.8249 9.8249 10.2545 10.2545 10.6945 10.6945 11.7428 11.7428 k = 0.6089 0.1311-0.8248 ( 5046 PWs) bands (ev): -16.6398 -16.6398 -16.6395 -16.6395 -16.6321 -16.6321 -16.6309 -16.6309 -13.6757 -13.6757 -13.6725 -13.6725 -13.6582 -13.6582 -13.6561 -13.6561 -13.6459 -13.6459 -13.6428 -13.6428 -5.4718 -5.4718 -5.3600 -5.3600 -4.4248 -4.4248 -2.2268 -2.2268 -1.7832 -1.7832 3.0434 3.0434 3.7846 3.7846 4.4469 4.4469 4.9138 4.9138 5.1277 5.1277 5.6249 5.6249 6.4348 6.4348 6.6382 6.6382 7.2260 7.2260 8.6580 8.6580 9.8436 9.8436 10.2381 10.2381 10.7098 10.7098 11.7343 11.7343 k = 0.6051 0.1303-0.7941 ( 5044 PWs) bands (ev): -16.6399 -16.6399 -16.6396 -16.6396 -16.6321 -16.6321 -16.6309 -16.6309 -13.6754 -13.6754 -13.6722 -13.6722 -13.6582 -13.6582 -13.6562 -13.6562 -13.6463 -13.6463 -13.6433 -13.6433 -5.5238 -5.5238 -5.4071 -5.4071 -4.4290 -4.4290 -2.1988 -2.1988 -1.7159 -1.7159 3.0823 3.0823 3.8594 3.8594 4.4974 4.4974 4.9437 4.9437 5.1754 5.1754 5.6412 5.6412 6.4431 6.4431 6.6331 6.6331 7.2529 7.2529 8.6447 8.6447 9.8606 9.8606 10.2186 10.2186 10.7284 10.7284 11.7220 11.7220 k = 0.6014 0.1295-0.7635 ( 5060 PWs) bands (ev): -16.6400 -16.6400 -16.6397 -16.6397 -16.6321 -16.6321 -16.6308 -16.6308 -13.6751 -13.6751 -13.6719 -13.6719 -13.6582 -13.6582 -13.6562 -13.6562 -13.6467 -13.6467 -13.6438 -13.6438 -5.5750 -5.5750 -5.4536 -5.4536 -4.4349 -4.4349 -2.1727 -2.1727 -1.6468 -1.6468 3.1262 3.1262 3.9374 3.9374 4.5476 4.5476 4.9732 4.9732 5.2282 5.2282 5.6600 5.6600 6.4475 6.4475 6.6304 6.6304 7.2811 7.2811 8.6291 8.6291 9.8748 9.8748 10.1958 10.1958 10.7503 10.7503 11.7053 11.7053 k = 0.5976 0.1287-0.7328 ( 5053 PWs) bands (ev): -16.6402 -16.6402 -16.6399 -16.6399 -16.6322 -16.6322 -16.6308 -16.6308 -13.6749 -13.6749 -13.6716 -13.6716 -13.6581 -13.6581 -13.6563 -13.6563 -13.6471 -13.6471 -13.6442 -13.6442 -5.6254 -5.6254 -5.4994 -5.4994 -4.4425 -4.4425 -2.1485 -2.1485 -1.5766 -1.5766 3.1757 3.1757 4.0181 4.0181 4.5970 4.5970 5.0031 5.0031 5.2847 5.2847 5.6819 5.6819 6.4475 6.4475 6.6315 6.6315 7.3107 7.3107 8.6109 8.6109 9.8847 9.8847 10.1697 10.1697 10.7747 10.7747 11.6834 11.6834 k = 0.5939 0.1279-0.7022 ( 5059 PWs) bands (ev): -16.6403 -16.6403 -16.6400 -16.6400 -16.6322 -16.6322 -16.6308 -16.6308 -13.6747 -13.6747 -13.6714 -13.6714 -13.6580 -13.6580 -13.6563 -13.6563 -13.6476 -13.6476 -13.6447 -13.6447 -5.6747 -5.6747 -5.5444 -5.5444 -4.4514 -4.4514 -2.1262 -2.1262 -1.5058 -1.5058 3.2308 3.2308 4.1006 4.1006 4.6450 4.6450 5.0343 5.0343 5.3431 5.3431 5.7074 5.7074 6.4438 6.4438 6.6367 6.6367 7.3415 7.3415 8.5898 8.5898 9.8893 9.8893 10.1404 10.1404 10.8009 10.8009 11.6551 11.6551 k = 0.5901 0.1271-0.6715 ( 5060 PWs) bands (ev): -16.6404 -16.6404 -16.6402 -16.6402 -16.6323 -16.6323 -16.6308 -16.6308 -13.6744 -13.6744 -13.6712 -13.6712 -13.6580 -13.6580 -13.6564 -13.6564 -13.6480 -13.6480 -13.6452 -13.6452 -5.7228 -5.7228 -5.5884 -5.5884 -4.4615 -4.4615 -2.1057 -2.1057 -1.4349 -1.4349 3.2919 3.2919 4.1846 4.1846 4.6910 4.6910 5.0678 5.0678 5.4014 5.4014 5.7372 5.7372 6.4382 6.4382 6.6455 6.6455 7.3732 7.3732 8.5656 8.5656 9.8870 9.8870 10.1086 10.1086 10.8273 10.8273 11.6181 11.6181 k = 0.5863 0.1263-0.6409 ( 5061 PWs) bands (ev): -16.6406 -16.6406 -16.6403 -16.6403 -16.6323 -16.6323 -16.6308 -16.6308 -13.6743 -13.6743 -13.6710 -13.6710 -13.6579 -13.6579 -13.6564 -13.6564 -13.6484 -13.6484 -13.6456 -13.6456 -5.7696 -5.7696 -5.6312 -5.6312 -4.4725 -4.4725 -2.0869 -2.0869 -1.3642 -1.3642 3.3589 3.3589 4.2695 4.2695 4.7344 4.7344 5.1041 5.1041 5.4572 5.4572 5.7719 5.7719 6.4331 6.4331 6.6569 6.6569 7.4054 7.4054 8.5384 8.5384 9.8760 9.8760 10.0756 10.0756 10.8516 10.8516 11.5702 11.5702 k = 0.5826 0.1255-0.6102 ( 5064 PWs) bands (ev): -16.6407 -16.6407 -16.6404 -16.6404 -16.6323 -16.6323 -16.6308 -16.6308 -13.6741 -13.6741 -13.6709 -13.6709 -13.6577 -13.6577 -13.6564 -13.6564 -13.6488 -13.6488 -13.6461 -13.6461 -5.8150 -5.8150 -5.6729 -5.6729 -4.4844 -4.4844 -2.0700 -2.0700 -1.2941 -1.2941 3.4319 3.4319 4.3547 4.3547 4.7750 4.7750 5.1440 5.1440 5.5084 5.5084 5.8116 5.8116 6.4316 6.4316 6.6699 6.6699 7.4379 7.4379 8.5081 8.5081 9.8543 9.8543 10.0432 10.0432 10.8708 10.8708 11.5102 11.5102 k = 0.5788 0.1246-0.5796 ( 5065 PWs) bands (ev): -16.6409 -16.6409 -16.6406 -16.6406 -16.6323 -16.6323 -16.6307 -16.6307 -13.6739 -13.6739 -13.6708 -13.6708 -13.6576 -13.6576 -13.6563 -13.6563 -13.6491 -13.6491 -13.6465 -13.6465 -5.8588 -5.8588 -5.7133 -5.7133 -4.4968 -4.4968 -2.0548 -2.0548 -1.2249 -1.2249 3.5108 3.5108 4.4395 4.4395 4.8126 4.8126 5.1879 5.1879 5.5535 5.5535 5.8552 5.8552 6.4367 6.4367 6.6836 6.6836 7.4700 7.4700 8.4750 8.4750 9.8200 9.8200 10.0132 10.0132 10.8807 10.8807 11.4419 11.4419 k = 0.5751 0.1238-0.5489 ( 5059 PWs) bands (ev): -16.6410 -16.6410 -16.6408 -16.6408 -16.6323 -16.6323 -16.6307 -16.6307 -13.6738 -13.6738 -13.6707 -13.6707 -13.6574 -13.6574 -13.6563 -13.6563 -13.6495 -13.6495 -13.6469 -13.6469 -5.9010 -5.9010 -5.7524 -5.7524 -4.5097 -4.5097 -2.0412 -2.0412 -1.1569 -1.1569 3.5955 3.5955 4.5231 4.5231 4.8478 4.8478 5.2358 5.2358 5.5923 5.5923 5.8996 5.8996 6.4520 6.4520 6.6973 6.6973 7.5013 7.5013 8.4394 8.4394 9.7726 9.7726 9.9860 9.9860 10.8760 10.8760 11.3737 11.3737 k = 0.5713 0.1230-0.5183 ( 5070 PWs) bands (ev): -16.6412 -16.6412 -16.6409 -16.6409 -16.6323 -16.6323 -16.6307 -16.6307 -13.6737 -13.6737 -13.6707 -13.6707 -13.6572 -13.6572 -13.6562 -13.6562 -13.6498 -13.6498 -13.6473 -13.6473 -5.9416 -5.9416 -5.7899 -5.7899 -4.5228 -4.5228 -2.0293 -2.0293 -1.0905 -1.0905 3.6858 3.6858 4.6039 4.6039 4.8819 4.8819 5.2875 5.2875 5.6254 5.6254 5.9412 5.9412 6.4806 6.4806 6.7104 6.7104 7.5311 7.5311 8.4018 8.4018 9.7130 9.7130 9.9609 9.9609 10.8516 10.8516 11.3151 11.3151 k = 0.5676 0.1222-0.4876 ( 5070 PWs) bands (ev): -16.6413 -16.6413 -16.6411 -16.6411 -16.6323 -16.6323 -16.6307 -16.6307 -13.6737 -13.6737 -13.6708 -13.6708 -13.6570 -13.6570 -13.6561 -13.6561 -13.6502 -13.6502 -13.6477 -13.6477 -5.9803 -5.9803 -5.8260 -5.8260 -4.5361 -4.5361 -2.0188 -2.0188 -1.0257 -1.0257 3.7814 3.7814 4.6793 4.6793 4.9176 4.9176 5.3424 5.3424 5.6539 5.6539 5.9767 5.9767 6.5244 6.5244 6.7226 6.7226 7.5584 7.5584 8.3630 8.3630 9.6430 9.6430 9.9367 9.9367 10.8057 10.8057 11.2712 11.2712 k = 0.5638 0.1214-0.4570 ( 5067 PWs) bands (ev): -16.6415 -16.6415 -16.6412 -16.6412 -16.6323 -16.6323 -16.6307 -16.6307 -13.6736 -13.6736 -13.6709 -13.6709 -13.6568 -13.6568 -13.6560 -13.6560 -13.6505 -13.6505 -13.6481 -13.6481 -6.0173 -6.0173 -5.8604 -5.8604 -4.5494 -4.5494 -2.0098 -2.0098 -0.9630 -0.9630 3.8821 3.8821 4.7454 4.7454 4.9589 4.9589 5.4000 5.4000 5.6792 5.6792 6.0046 6.0046 6.5832 6.5832 6.7335 6.7335 7.5822 7.5822 8.3240 8.3240 9.5640 9.5640 9.9125 9.9125 10.7420 10.7420 11.2407 11.2407 k = 0.5601 0.1206-0.4263 ( 5065 PWs) bands (ev): -16.6416 -16.6416 -16.6414 -16.6414 -16.6323 -16.6323 -16.6307 -16.6307 -13.6736 -13.6736 -13.6710 -13.6710 -13.6566 -13.6566 -13.6558 -13.6558 -13.6508 -13.6508 -13.6484 -13.6484 -6.0524 -6.0524 -5.8932 -5.8932 -4.5625 -4.5625 -2.0021 -2.0021 -0.9025 -0.9025 3.9875 3.9875 4.7976 4.7976 5.0108 5.0108 5.4592 5.4592 5.7025 5.7025 6.0258 6.0258 6.6538 6.6538 6.7434 6.7434 7.6012 7.6012 8.2861 8.2861 9.4774 9.4774 9.8877 9.8877 10.6677 10.6677 11.2183 11.2183 k = 0.5563 0.1198-0.3957 ( 5066 PWs) bands (ev): -16.6418 -16.6418 -16.6415 -16.6415 -16.6323 -16.6323 -16.6306 -16.6306 -13.6737 -13.6737 -13.6711 -13.6711 -13.6563 -13.6563 -13.6557 -13.6557 -13.6510 -13.6510 -13.6487 -13.6487 -6.0855 -6.0855 -5.9242 -5.9242 -4.5754 -4.5754 -1.9956 -1.9956 -0.8445 -0.8445 4.0973 4.0973 4.8344 4.8344 5.0748 5.0748 5.5186 5.5186 5.7255 5.7255 6.0422 6.0422 6.7241 6.7241 6.7602 6.7602 7.6137 7.6137 8.2510 8.2510 9.3847 9.3847 9.8622 9.8622 10.5894 10.5894 11.1989 11.1989 k = 0.5526 0.1190-0.3650 ( 5064 PWs) bands (ev): -16.6419 -16.6419 -16.6417 -16.6417 -16.6323 -16.6323 -16.6306 -16.6306 -13.6737 -13.6737 -13.6713 -13.6713 -13.6561 -13.6561 -13.6555 -13.6555 -13.6513 -13.6513 -13.6490 -13.6490 -6.1167 -6.1167 -5.9534 -5.9534 -4.5880 -4.5880 -1.9902 -1.9902 -0.7892 -0.7892 4.2109 4.2109 4.8589 4.8589 5.1481 5.1481 5.5758 5.5758 5.7506 5.7506 6.0557 6.0557 6.7448 6.7448 6.8290 6.8290 7.6181 7.6181 8.2206 8.2206 9.2876 9.2876 9.8360 9.8360 10.5118 10.5118 11.1795 11.1795 k = 0.5488 0.1182-0.3344 ( 5067 PWs) bands (ev): -16.6421 -16.6421 -16.6418 -16.6418 -16.6323 -16.6323 -16.6306 -16.6306 -13.6738 -13.6738 -13.6715 -13.6715 -13.6559 -13.6559 -13.6553 -13.6553 -13.6515 -13.6515 -13.6492 -13.6492 -6.1459 -6.1459 -5.9809 -5.9809 -4.6000 -4.6000 -1.9858 -1.9858 -0.7367 -0.7367 4.3278 4.3278 4.8751 4.8751 5.2268 5.2268 5.6269 5.6269 5.7820 5.7820 6.0678 6.0678 6.7469 6.7469 6.9139 6.9139 7.6134 7.6134 8.1965 8.1965 9.1882 9.1882 9.8092 9.8092 10.4380 10.4380 11.1589 11.1589 k = 0.5451 0.1174-0.3037 ( 5074 PWs) bands (ev): -16.6422 -16.6422 -16.6420 -16.6420 -16.6323 -16.6323 -16.6306 -16.6306 -13.6739 -13.6739 -13.6717 -13.6717 -13.6556 -13.6556 -13.6551 -13.6551 -13.6517 -13.6517 -13.6495 -13.6495 -6.1730 -6.1730 -6.0064 -6.0064 -4.6115 -4.6115 -1.9823 -1.9823 -0.6872 -0.6872 4.4474 4.4474 4.8859 4.8859 5.3082 5.3082 5.6677 5.6677 5.8237 5.8237 6.0796 6.0796 6.7442 6.7442 6.9959 6.9959 7.5999 7.5999 8.1793 8.1793 9.0893 9.0893 9.7818 9.7818 10.3700 10.3700 11.1367 11.1367 k = 0.5413 0.1166-0.2731 ( 5068 PWs) bands (ev): -16.6423 -16.6423 -16.6421 -16.6421 -16.6323 -16.6323 -16.6306 -16.6306 -13.6740 -13.6740 -13.6719 -13.6719 -13.6554 -13.6554 -13.6549 -13.6549 -13.6519 -13.6519 -13.6497 -13.6497 -6.1981 -6.1981 -6.0301 -6.0301 -4.6224 -4.6224 -1.9795 -1.9795 -0.6410 -0.6410 4.5687 4.5687 4.8936 4.8936 5.3902 5.3902 5.6975 5.6975 5.8764 5.8764 6.0920 6.0920 6.7377 6.7377 7.0678 7.0678 7.5805 7.5805 8.1682 8.1682 8.9944 8.9944 9.7536 9.7536 10.3093 10.3093 11.1131 11.1131 k = 0.5375 0.1158-0.2424 ( 5064 PWs) bands (ev): -16.6424 -16.6424 -16.6422 -16.6422 -16.6323 -16.6323 -16.6306 -16.6306 -13.6741 -13.6741 -13.6720 -13.6720 -13.6552 -13.6552 -13.6547 -13.6547 -13.6520 -13.6520 -13.6499 -13.6499 -6.2211 -6.2211 -6.0518 -6.0518 -4.6326 -4.6326 -1.9773 -1.9773 -0.5983 -0.5983 4.6896 4.6896 4.9004 4.9004 5.4712 5.4712 5.7201 5.7201 5.9362 5.9362 6.1058 6.1058 6.7274 6.7274 7.1210 7.1210 7.5611 7.5611 8.1607 8.1607 8.9082 8.9082 9.7243 9.7243 10.2571 10.2571 11.0884 11.0884 k = 0.5338 0.1149-0.2118 ( 5076 PWs) bands (ev): -16.6425 -16.6425 -16.6423 -16.6423 -16.6322 -16.6322 -16.6306 -16.6306 -13.6743 -13.6743 -13.6722 -13.6722 -13.6550 -13.6550 -13.6546 -13.6546 -13.6521 -13.6521 -13.6501 -13.6501 -6.2419 -6.2419 -6.0715 -6.0715 -4.6420 -4.6420 -1.9757 -1.9757 -0.5590 -0.5590 4.8027 4.8027 4.9139 4.9139 5.5488 5.5488 5.7407 5.7407 5.9971 5.9971 6.1231 6.1231 6.7136 6.7136 7.1453 7.1453 7.5496 7.5496 8.1537 8.1537 8.8360 8.8360 9.6937 9.6937 10.2145 10.2145 11.0626 11.0626 k = 0.5300 0.1141-0.1811 ( 5072 PWs) bands (ev): -16.6426 -16.6426 -16.6424 -16.6424 -16.6322 -16.6322 -16.6305 -16.6305 -13.6744 -13.6744 -13.6724 -13.6724 -13.6548 -13.6548 -13.6544 -13.6544 -13.6522 -13.6522 -13.6502 -13.6502 -6.2606 -6.2606 -6.0892 -6.0892 -4.6506 -4.6506 -1.9745 -1.9745 -0.5235 -0.5235 4.8676 4.8676 4.9737 4.9737 5.6182 5.6182 5.7660 5.7660 6.0508 6.0508 6.1495 6.1495 6.6967 6.6967 7.1349 7.1349 7.5493 7.5493 8.1443 8.1443 8.7833 8.7833 9.6614 9.6614 10.1825 10.1825 11.0350 11.0350 k = 0.5263 0.1133-0.1505 ( 5076 PWs) bands (ev): -16.6427 -16.6427 -16.6425 -16.6425 -16.6322 -16.6322 -16.6305 -16.6305 -13.6745 -13.6745 -13.6726 -13.6726 -13.6546 -13.6546 -13.6543 -13.6543 -13.6522 -13.6522 -13.6504 -13.6504 -6.2772 -6.2772 -6.1049 -6.1049 -4.6583 -4.6583 -1.9737 -1.9737 -0.4918 -0.4918 4.8802 4.8802 5.0833 5.0833 5.6701 5.6701 5.8059 5.8059 6.0873 6.0873 6.1925 6.1925 6.6774 6.6774 7.0934 7.0934 7.5538 7.5538 8.1316 8.1316 8.7536 8.7536 9.6272 9.6272 10.1619 10.1619 11.0021 11.0021 k = 0.5225 0.1125-0.1198 ( 5078 PWs) bands (ev): -16.6428 -16.6428 -16.6426 -16.6426 -16.6322 -16.6322 -16.6305 -16.6305 -13.6746 -13.6746 -13.6727 -13.6727 -13.6544 -13.6544 -13.6542 -13.6542 -13.6523 -13.6523 -13.6505 -13.6505 -6.2915 -6.2915 -6.1186 -6.1186 -4.6650 -4.6650 -1.9732 -1.9732 -0.4641 -0.4641 4.8823 4.8823 5.1992 5.1992 5.7000 5.7000 5.8652 5.8652 6.1082 6.1082 6.2484 6.2484 6.6572 6.6572 7.0300 7.0300 7.5519 7.5519 8.1184 8.1184 8.7469 8.7469 9.5913 9.5913 10.1527 10.1527 10.9554 10.9554 k = 0.5188 0.1117-0.0892 ( 5074 PWs) bands (ev): -16.6429 -16.6429 -16.6427 -16.6427 -16.6322 -16.6322 -16.6305 -16.6305 -13.6747 -13.6747 -13.6729 -13.6729 -13.6543 -13.6543 -13.6542 -13.6542 -13.6523 -13.6523 -13.6506 -13.6506 -6.3037 -6.3037 -6.1301 -6.1301 -4.6708 -4.6708 -1.9728 -1.9728 -0.4405 -0.4405 4.8819 4.8819 5.3116 5.3116 5.7153 5.7153 5.9364 5.9364 6.1212 6.1212 6.3062 6.3062 6.6385 6.6385 6.9523 6.9523 7.5367 7.5367 8.1086 8.1086 8.7589 8.7589 9.5547 9.5547 10.1547 10.1547 10.8920 10.8920 k = 0.5150 0.1109-0.0585 ( 5072 PWs) bands (ev): -16.6429 -16.6429 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6748 -13.6748 -13.6730 -13.6730 -13.6542 -13.6542 -13.6541 -13.6541 -13.6523 -13.6523 -13.6507 -13.6507 -6.3137 -6.3137 -6.1396 -6.1396 -4.6756 -4.6756 -1.9726 -1.9726 -0.4211 -0.4211 4.8807 4.8807 5.4160 5.4160 5.7230 5.7230 6.0118 6.0118 6.1305 6.1305 6.3580 6.3580 6.6248 6.6248 6.8661 6.8661 7.5081 7.5081 8.1043 8.1043 8.7832 8.7832 9.5187 9.5187 10.1665 10.1665 10.8215 10.8215 k = 0.5113 0.1101-0.0279 ( 5072 PWs) bands (ev): -16.6429 -16.6429 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6749 -13.6749 -13.6731 -13.6731 -13.6541 -13.6541 -13.6541 -13.6541 -13.6523 -13.6523 -13.6507 -13.6507 -6.3215 -6.3215 -6.1470 -6.1470 -4.6793 -4.6793 -1.9725 -1.9725 -0.4058 -0.4058 4.8795 4.8795 5.5084 5.5084 5.7255 5.7255 6.0863 6.0863 6.1373 6.1373 6.3988 6.3988 6.6205 6.6205 6.7756 6.7756 7.4719 7.4719 8.1045 8.1045 8.8127 8.8127 9.4854 9.4854 10.1858 10.1858 10.7528 10.7528 k = 0.5075 0.1093 0.0028 ( 5070 PWs) bands (ev): -16.6430 -16.6430 -16.6428 -16.6428 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3270 -6.3270 -6.1523 -6.1523 -4.6820 -4.6820 -1.9724 -1.9724 -0.3949 -0.3949 4.8783 4.8783 5.5845 5.5845 5.7230 5.7230 6.1403 6.1403 6.1561 6.1561 6.4291 6.4291 6.6263 6.6263 6.6856 6.6856 7.4365 7.4365 8.1069 8.1069 8.8407 8.8407 9.4577 9.4577 10.2085 10.2085 10.6933 10.6933 k = 0.5038 0.1085 0.0334 ( 5062 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6541 -13.6541 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3304 -6.3304 -6.1555 -6.1555 -4.6836 -4.6836 -1.9724 -1.9724 -0.3884 -0.3884 4.8776 4.8776 5.6402 5.6402 5.7145 5.7145 6.1439 6.1439 6.2063 6.2063 6.4595 6.4595 6.6013 6.6013 6.6377 6.6377 7.4107 7.4107 8.1092 8.1092 8.8607 8.8607 9.4389 9.4389 10.2279 10.2279 10.6513 10.6513 k = 0.5000 0.1077 0.0641 ( 5060 PWs) bands (ev): -16.6430 -16.6430 -16.6429 -16.6429 -16.6322 -16.6322 -16.6305 -16.6305 -13.6750 -13.6750 -13.6732 -13.6732 -13.6540 -13.6540 -13.6540 -13.6540 -13.6522 -13.6522 -13.6508 -13.6508 -6.3315 -6.3315 -6.1566 -6.1566 -4.6842 -4.6842 -1.9724 -1.9724 -0.3862 -0.3862 4.8773 4.8773 5.6654 5.6654 5.7055 5.7055 6.1448 6.1448 6.2255 6.2255 6.4872 6.4872 6.5530 6.5530 6.6419 6.6419 7.4012 7.4012 8.1102 8.1102 8.8680 8.8680 9.4323 9.4323 10.2358 10.2358 10.6357 10.6357 k = 0.5000-1.1072-0.6590 ( 5020 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6420 -13.6420 -13.6385 -13.6385 -4.8731 -4.8731 -4.7349 -4.7349 -4.6266 -4.6266 -2.6804 -2.6804 -2.3053 -2.3053 2.3710 2.3710 4.1116 4.1116 4.1333 4.1333 4.7120 4.7120 4.7860 4.7860 5.0705 5.0705 5.7064 5.7064 6.6362 6.6362 7.3500 7.3500 8.4333 8.4333 9.9321 9.9321 10.4840 10.4840 11.1531 11.1531 11.7502 11.7502 k = 0.5269-1.0982-0.6536 ( 5023 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6420 -13.6420 -13.6385 -13.6385 -4.8730 -4.8730 -4.7353 -4.7353 -4.6265 -4.6265 -2.6810 -2.6810 -2.3047 -2.3047 2.3730 2.3730 4.0900 4.0900 4.1482 4.1482 4.7081 4.7081 4.7840 4.7840 5.0760 5.0760 5.7180 5.7180 6.6338 6.6338 7.3420 7.3420 8.4406 8.4406 9.9346 9.9346 10.4804 10.4804 11.1377 11.1377 11.7559 11.7559 k = 0.5538-1.0892-0.6483 ( 5025 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6420 -13.6420 -13.6385 -13.6385 -4.8727 -4.8727 -4.7362 -4.7362 -4.6260 -4.6260 -2.6825 -2.6825 -2.3028 -2.3028 2.3791 2.3791 4.0557 4.0557 4.1621 4.1621 4.6991 4.6991 4.7772 4.7772 5.0925 5.0925 5.7515 5.7515 6.6267 6.6267 7.3186 7.3186 8.4616 8.4616 9.9418 9.9418 10.4695 10.4695 11.0960 11.0960 11.7690 11.7690 k = 0.5807-1.0802-0.6430 ( 5034 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6420 -13.6420 -13.6385 -13.6385 -4.8723 -4.8723 -4.7377 -4.7377 -4.6252 -4.6252 -2.6851 -2.6851 -2.2997 -2.2997 2.3891 2.3891 4.0169 4.0169 4.1658 4.1658 4.6907 4.6907 4.7651 4.7651 5.1192 5.1192 5.8030 5.8030 6.6152 6.6152 7.2818 7.2818 8.4944 8.4944 9.9527 9.9527 10.4516 10.4516 11.0375 11.0375 11.7808 11.7808 k = 0.6076-1.0713-0.6376 ( 5031 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6759 -13.6759 -13.6582 -13.6582 -13.6551 -13.6551 -13.6420 -13.6420 -13.6385 -13.6385 -4.8718 -4.8718 -4.7396 -4.7396 -4.6243 -4.6243 -2.6885 -2.6885 -2.2956 -2.2956 2.4031 2.4031 3.9745 3.9745 4.1576 4.1576 4.6861 4.6861 4.7507 4.7507 5.1545 5.1545 5.8677 5.8677 6.6002 6.6002 7.2340 7.2340 8.5361 8.5361 9.9658 9.9658 10.4273 10.4273 10.9717 10.9717 11.7857 11.7857 k = 0.6345-1.0623-0.6323 ( 5035 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6783 -13.6783 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8713 -4.8713 -4.7419 -4.7419 -4.6231 -4.6231 -2.6927 -2.6927 -2.2906 -2.2906 2.4207 2.4207 3.9288 3.9288 4.1384 4.1384 4.6826 4.6826 4.7413 4.7413 5.1965 5.1965 5.9409 5.9409 6.5826 6.5826 7.1780 7.1780 8.5838 8.5838 9.9784 9.9784 10.3986 10.3986 10.9060 10.9060 11.7822 11.7822 k = 0.6614-1.0533-0.6269 ( 5040 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8708 -4.8708 -4.7443 -4.7443 -4.6218 -4.6218 -2.6975 -2.6975 -2.2847 -2.2847 2.4418 2.4418 3.8801 3.8801 4.1107 4.1107 4.6722 4.6722 4.7465 4.7465 5.2438 5.2438 6.0175 6.0175 6.5642 6.5642 7.1161 7.1161 8.6347 8.6347 9.9862 9.9862 10.3690 10.3690 10.8452 10.8452 11.7718 11.7718 k = 0.6883-1.0444-0.6216 ( 5034 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8706 -4.8706 -4.7466 -4.7466 -4.6205 -4.6205 -2.7028 -2.7028 -2.2782 -2.2782 2.4661 2.4661 3.8284 3.8284 4.0783 4.0783 4.6547 4.6547 4.7663 4.7663 5.2953 5.2953 6.0922 6.0922 6.5477 6.5477 7.0508 7.0508 8.6862 8.6862 9.9843 9.9843 10.3446 10.3446 10.7922 10.7922 11.7566 11.7566 k = 0.7152-1.0354-0.6163 ( 5026 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8707 -4.8707 -4.7487 -4.7487 -4.6191 -4.6191 -2.7083 -2.7083 -2.2713 -2.2713 2.4932 2.4932 3.7741 3.7741 4.0443 4.0443 4.6349 4.6349 4.7947 4.7947 5.3501 5.3501 6.1579 6.1579 6.5371 6.5371 6.9843 6.9843 8.7356 8.7356 9.9686 9.9686 10.3307 10.3307 10.7484 10.7484 11.7384 11.7384 k = 0.7422-1.0264-0.6109 ( 5027 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8714 -4.8714 -4.7504 -4.7504 -4.6178 -4.6178 -2.7140 -2.7140 -2.2641 -2.2641 2.5226 2.5226 3.7181 3.7181 4.0112 4.0112 4.6152 4.6152 4.8277 4.8277 5.4076 5.4076 6.2061 6.2061 6.5374 6.5374 6.9201 6.9201 8.7807 8.7807 9.9401 9.9401 10.3285 10.3285 10.7142 10.7142 11.7193 11.7193 k = 0.7691-1.0174-0.6056 ( 5022 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8727 -4.8727 -4.7515 -4.7515 -4.6165 -4.6165 -2.7198 -2.7198 -2.2567 -2.2567 2.5535 2.5535 3.6619 3.6619 3.9804 3.9804 4.5968 4.5968 4.8631 4.8631 5.4676 5.4676 6.2303 6.2303 6.5488 6.5488 6.8637 6.8637 8.8191 8.8191 9.9050 9.9050 10.3340 10.3340 10.6900 10.6900 11.7009 11.7009 k = 0.7960-1.0085-0.6002 ( 5024 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6385 -13.6385 -4.8747 -4.8747 -4.7519 -4.7519 -4.6154 -4.6154 -2.7253 -2.7253 -2.2494 -2.2494 2.5851 2.5851 3.6071 3.6071 3.9528 3.9528 4.5800 4.5800 4.8991 4.8991 5.5294 5.5294 6.2320 6.2320 6.5581 6.5581 6.8265 6.8265 8.8490 8.8490 9.8710 9.8710 10.3410 10.3410 10.6761 10.6761 11.6847 11.6847 k = 0.8229-0.9995-0.5949 ( 5018 PWs) bands (ev): -16.6389 -16.6389 -16.6388 -16.6388 -16.6314 -16.6314 -16.6310 -16.6310 -13.6782 -13.6782 -13.6760 -13.6760 -13.6582 -13.6582 -13.6552 -13.6552 -13.6420 -13.6420 -13.6386 -13.6386 -4.8775 -4.8775 -4.7515 -4.7515 -4.6143 -4.6143 -2.7307 -2.7307 -2.2421 -2.2421 2.6160 2.6160 3.5558 3.5558 3.9287 3.9287 4.5652 4.5652 4.9344 4.9344 5.5928 5.5928 6.2187 6.2187 6.5441 6.5441 6.8210 6.8210 8.8696 8.8696 9.8440 9.8440 10.3447 10.3447 10.6725 10.6725 11.6724 11.6724 Writing output data file Bi2Se3.save init_run : 0.70s CPU 2.25s WALL ( 1 calls) electrons : 394.73s CPU 402.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 394.72s CPU 402.21s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.08s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 285 calls) cegterg : 352.06s CPU 354.02s WALL ( 285 calls) Called by sum_band: Called by *egterg: h_psi : 331.83s CPU 333.53s WALL ( 5393 calls) s_psi : 2.99s CPU 3.05s WALL ( 5393 calls) g_psi : 0.26s CPU 0.22s WALL ( 4823 calls) cdiaghg : 37.41s CPU 37.83s WALL ( 5108 calls) cegterg:over : 6.10s CPU 6.13s WALL ( 4823 calls) cegterg:upda : 5.17s CPU 5.36s WALL ( 4823 calls) cegterg:last : 2.97s CPU 2.94s WALL ( 855 calls) cdiaghg:chol : 2.27s CPU 2.23s WALL ( 5108 calls) cdiaghg:inve : 1.47s CPU 1.46s WALL ( 5108 calls) cdiaghg:para : 2.35s CPU 2.30s WALL ( 10216 calls) Called by h_psi: h_psi:vloc : 323.20s CPU 324.95s WALL ( 5393 calls) h_psi:vnl : 8.36s CPU 8.32s WALL ( 5393 calls) add_vuspsi : 3.53s CPU 3.68s WALL ( 5393 calls) General routines calbec : 4.80s CPU 4.63s WALL ( 5393 calls) fft : 0.07s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 286.82s CPU 288.19s WALL ( 624940 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.20s CPU 5.29s WALL ( 570 calls) Parallel routines fft_scatter : 47.71s CPU 47.60s WALL ( 624963 calls) PWSCF : 6m52.75s CPU 7m18.83s WALL This run was terminated on: 14:46: 4 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=