Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 1:10:36 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./PI2.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 18 5 822 649 99 Max 22 19 6 829 669 104 Sum 1545 1333 379 59373 47439 7277 bravais-lattice index = 14 lattice parameter (alat) = 8.6172 a.u. unit-cell volume = 1560.1479 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 37.0000 Ry charge density cutoff = 172.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.617151 celldm(2)= 1.548246 celldm(3)= 1.622807 celldm(4)= 0.170209 celldm(5)= 0.121869 celldm(6)= 0.142629 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.220825 1.532417 0.000000 ) a(3) = ( 0.197770 0.250571 1.591101 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.144102 -0.101604 ) b(2) = ( 0.000000 0.652564 -0.102768 ) b(3) = ( 0.000000 0.000000 0.628495 ) PseudoPot. # 1 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 I 7.00 126.90450 I( 1.00) P 5.00 30.97380 P( 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= 238 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0720511 -0.0508021), wk = 0.0042017 k( 2) = ( 0.4857143 -0.0699925 -0.0493506), wk = 0.0042017 k( 3) = ( 0.4714286 -0.0679339 -0.0478991), wk = 0.0042017 k( 4) = ( 0.4571429 -0.0658753 -0.0464476), wk = 0.0042017 k( 5) = ( 0.4428571 -0.0638167 -0.0449961), wk = 0.0042017 k( 6) = ( 0.4285714 -0.0617581 -0.0435447), wk = 0.0042017 k( 7) = ( 0.4142857 -0.0596995 -0.0420932), wk = 0.0042017 k( 8) = ( 0.4000000 -0.0576409 -0.0406417), wk = 0.0042017 k( 9) = ( 0.3857143 -0.0555823 -0.0391902), wk = 0.0042017 k( 10) = ( 0.3714286 -0.0535237 -0.0377387), wk = 0.0042017 k( 11) = ( 0.3571429 -0.0514651 -0.0362872), wk = 0.0042017 k( 12) = ( 0.3428571 -0.0494065 -0.0348357), wk = 0.0042017 k( 13) = ( 0.3285714 -0.0473479 -0.0333842), wk = 0.0042017 k( 14) = ( 0.3142857 -0.0452893 -0.0319327), wk = 0.0042017 k( 15) = ( 0.3000000 -0.0432307 -0.0304813), wk = 0.0042017 k( 16) = ( 0.2857143 -0.0411721 -0.0290298), wk = 0.0042017 k( 17) = ( 0.2714286 -0.0391135 -0.0275783), wk = 0.0042017 k( 18) = ( 0.2571429 -0.0370549 -0.0261268), wk = 0.0042017 k( 19) = ( 0.2428571 -0.0349962 -0.0246753), wk = 0.0042017 k( 20) = ( 0.2285714 -0.0329376 -0.0232238), wk = 0.0042017 k( 21) = ( 0.2142857 -0.0308790 -0.0217723), wk = 0.0042017 k( 22) = ( 0.2000000 -0.0288204 -0.0203208), wk = 0.0042017 k( 23) = ( 0.1857143 -0.0267618 -0.0188694), wk = 0.0042017 k( 24) = ( 0.1714286 -0.0247032 -0.0174179), wk = 0.0042017 k( 25) = ( 0.1571429 -0.0226446 -0.0159664), wk = 0.0042017 k( 26) = ( 0.1428571 -0.0205860 -0.0145149), wk = 0.0042017 k( 27) = ( 0.1285714 -0.0185274 -0.0130634), wk = 0.0042017 k( 28) = ( 0.1142857 -0.0164688 -0.0116119), wk = 0.0042017 k( 29) = ( 0.1000000 -0.0144102 -0.0101604), wk = 0.0042017 k( 30) = ( 0.0857143 -0.0123516 -0.0087089), wk = 0.0042017 k( 31) = ( 0.0714286 -0.0102930 -0.0072574), wk = 0.0042017 k( 32) = ( 0.0571429 -0.0082344 -0.0058060), wk = 0.0042017 k( 33) = ( 0.0428571 -0.0061758 -0.0043545), wk = 0.0042017 k( 34) = ( 0.0285714 -0.0041172 -0.0029030), wk = 0.0042017 k( 35) = ( 0.0142857 -0.0020586 -0.0014515), wk = 0.0042017 k( 36) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 37) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 38) = ( 0.0000000 0.0141862 -0.0022341), wk = 0.0042017 k( 39) = ( 0.0000000 0.0283723 -0.0044682), wk = 0.0042017 k( 40) = ( 0.0000000 0.0425585 -0.0067022), wk = 0.0042017 k( 41) = ( 0.0000000 0.0567447 -0.0089363), wk = 0.0042017 k( 42) = ( 0.0000000 0.0709309 -0.0111704), wk = 0.0042017 k( 43) = ( 0.0000000 0.0851170 -0.0134045), wk = 0.0042017 k( 44) = ( 0.0000000 0.0993032 -0.0156386), wk = 0.0042017 k( 45) = ( 0.0000000 0.1134894 -0.0178726), wk = 0.0042017 k( 46) = ( 0.0000000 0.1276756 -0.0201067), wk = 0.0042017 k( 47) = ( 0.0000000 0.1418617 -0.0223408), wk = 0.0042017 k( 48) = ( 0.0000000 0.1560479 -0.0245749), wk = 0.0042017 k( 49) = ( 0.0000000 0.1702341 -0.0268089), wk = 0.0042017 k( 50) = ( 0.0000000 0.1844203 -0.0290430), wk = 0.0042017 k( 51) = ( 0.0000000 0.1986064 -0.0312771), wk = 0.0042017 k( 52) = ( 0.0000000 0.2127926 -0.0335112), wk = 0.0042017 k( 53) = ( 0.0000000 0.2269788 -0.0357453), wk = 0.0042017 k( 54) = ( 0.0000000 0.2411650 -0.0379793), wk = 0.0042017 k( 55) = ( 0.0000000 0.2553511 -0.0402134), wk = 0.0042017 k( 56) = ( 0.0000000 0.2695373 -0.0424475), wk = 0.0042017 k( 57) = ( 0.0000000 0.2837235 -0.0446816), wk = 0.0042017 k( 58) = ( 0.0000000 0.2979097 -0.0469157), wk = 0.0042017 k( 59) = ( 0.0000000 0.3120958 -0.0491497), wk = 0.0042017 k( 60) = ( 0.0000000 0.3262820 -0.0513838), wk = 0.0042017 k( 61) = ( 0.5000000 0.2542309 -0.1021859), wk = 0.0042017 k( 62) = ( 0.4875000 0.2478751 -0.0996313), wk = 0.0042017 k( 63) = ( 0.4750000 0.2415194 -0.0970766), wk = 0.0042017 k( 64) = ( 0.4625000 0.2351636 -0.0945220), wk = 0.0042017 k( 65) = ( 0.4500000 0.2288078 -0.0919673), wk = 0.0042017 k( 66) = ( 0.4375000 0.2224520 -0.0894127), wk = 0.0042017 k( 67) = ( 0.4250000 0.2160963 -0.0868580), wk = 0.0042017 k( 68) = ( 0.4125000 0.2097405 -0.0843034), wk = 0.0042017 k( 69) = ( 0.4000000 0.2033847 -0.0817487), wk = 0.0042017 k( 70) = ( 0.3875000 0.1970290 -0.0791941), wk = 0.0042017 k( 71) = ( 0.3750000 0.1906732 -0.0766394), wk = 0.0042017 k( 72) = ( 0.3625000 0.1843174 -0.0740848), wk = 0.0042017 k( 73) = ( 0.3500000 0.1779616 -0.0715301), wk = 0.0042017 k( 74) = ( 0.3375000 0.1716059 -0.0689755), wk = 0.0042017 k( 75) = ( 0.3250000 0.1652501 -0.0664208), wk = 0.0042017 k( 76) = ( 0.3125000 0.1588943 -0.0638662), wk = 0.0042017 k( 77) = ( 0.3000000 0.1525385 -0.0613115), wk = 0.0042017 k( 78) = ( 0.2875000 0.1461828 -0.0587569), wk = 0.0042017 k( 79) = ( 0.2750000 0.1398270 -0.0562023), wk = 0.0042017 k( 80) = ( 0.2625000 0.1334712 -0.0536476), wk = 0.0042017 k( 81) = ( 0.2500000 0.1271155 -0.0510930), wk = 0.0042017 k( 82) = ( 0.2375000 0.1207597 -0.0485383), wk = 0.0042017 k( 83) = ( 0.2250000 0.1144039 -0.0459837), wk = 0.0042017 k( 84) = ( 0.2125000 0.1080481 -0.0434290), wk = 0.0042017 k( 85) = ( 0.2000000 0.1016924 -0.0408744), wk = 0.0042017 k( 86) = ( 0.1875000 0.0953366 -0.0383197), wk = 0.0042017 k( 87) = ( 0.1750000 0.0889808 -0.0357651), wk = 0.0042017 k( 88) = ( 0.1625000 0.0826250 -0.0332104), wk = 0.0042017 k( 89) = ( 0.1500000 0.0762693 -0.0306558), wk = 0.0042017 k( 90) = ( 0.1375000 0.0699135 -0.0281011), wk = 0.0042017 k( 91) = ( 0.1250000 0.0635577 -0.0255465), wk = 0.0042017 k( 92) = ( 0.1125000 0.0572020 -0.0229918), wk = 0.0042017 k( 93) = ( 0.1000000 0.0508462 -0.0204372), wk = 0.0042017 k( 94) = ( 0.0875000 0.0444904 -0.0178825), wk = 0.0042017 k( 95) = ( 0.0750000 0.0381346 -0.0153279), wk = 0.0042017 k( 96) = ( 0.0625000 0.0317789 -0.0127732), wk = 0.0042017 k( 97) = ( 0.0500000 0.0254231 -0.0102186), wk = 0.0042017 k( 98) = ( 0.0375000 0.0190673 -0.0076639), wk = 0.0042017 k( 99) = ( 0.0250000 0.0127115 -0.0051093), wk = 0.0042017 k( 100) = ( 0.0125000 0.0063558 -0.0025546), wk = 0.0042017 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 103) = ( 0.0000000 0.0000000 0.0142840), wk = 0.0042017 k( 104) = ( 0.0000000 0.0000000 0.0285680), wk = 0.0042017 k( 105) = ( 0.0000000 0.0000000 0.0428520), wk = 0.0042017 k( 106) = ( 0.0000000 0.0000000 0.0571360), wk = 0.0042017 k( 107) = ( 0.0000000 0.0000000 0.0714199), wk = 0.0042017 k( 108) = ( 0.0000000 0.0000000 0.0857039), wk = 0.0042017 k( 109) = ( 0.0000000 0.0000000 0.0999879), wk = 0.0042017 k( 110) = ( 0.0000000 0.0000000 0.1142719), wk = 0.0042017 k( 111) = ( 0.0000000 0.0000000 0.1285559), wk = 0.0042017 k( 112) = ( 0.0000000 0.0000000 0.1428399), wk = 0.0042017 k( 113) = ( 0.0000000 0.0000000 0.1571239), wk = 0.0042017 k( 114) = ( 0.0000000 0.0000000 0.1714079), wk = 0.0042017 k( 115) = ( 0.0000000 0.0000000 0.1856918), wk = 0.0042017 k( 116) = ( 0.0000000 0.0000000 0.1999758), wk = 0.0042017 k( 117) = ( 0.0000000 0.0000000 0.2142598), wk = 0.0042017 k( 118) = ( 0.0000000 0.0000000 0.2285438), wk = 0.0042017 k( 119) = ( 0.0000000 0.0000000 0.2428278), wk = 0.0042017 k( 120) = ( 0.0000000 0.0000000 0.2571118), wk = 0.0042017 k( 121) = ( 0.0000000 0.0000000 0.2713958), wk = 0.0042017 k( 122) = ( 0.0000000 0.0000000 0.2856798), wk = 0.0042017 k( 123) = ( 0.0000000 0.0000000 0.2999637), wk = 0.0042017 k( 124) = ( 0.0000000 0.0000000 0.3142477), wk = 0.0042017 k( 125) = ( 0.5000000 -0.0720511 0.2634456), wk = 0.0042017 k( 126) = ( 0.4875000 -0.0702498 0.2568595), wk = 0.0042017 k( 127) = ( 0.4750000 -0.0684485 0.2502734), wk = 0.0042017 k( 128) = ( 0.4625000 -0.0666473 0.2436872), wk = 0.0042017 k( 129) = ( 0.4500000 -0.0648460 0.2371011), wk = 0.0042017 k( 130) = ( 0.4375000 -0.0630447 0.2305149), wk = 0.0042017 k( 131) = ( 0.4250000 -0.0612434 0.2239288), wk = 0.0042017 k( 132) = ( 0.4125000 -0.0594422 0.2173427), wk = 0.0042017 k( 133) = ( 0.4000000 -0.0576409 0.2107565), wk = 0.0042017 k( 134) = ( 0.3875000 -0.0558396 0.2041704), wk = 0.0042017 k( 135) = ( 0.3750000 -0.0540383 0.1975842), wk = 0.0042017 k( 136) = ( 0.3625000 -0.0522370 0.1909981), wk = 0.0042017 k( 137) = ( 0.3500000 -0.0504358 0.1844119), wk = 0.0042017 k( 138) = ( 0.3375000 -0.0486345 0.1778258), wk = 0.0042017 k( 139) = ( 0.3250000 -0.0468332 0.1712397), wk = 0.0042017 k( 140) = ( 0.3125000 -0.0450319 0.1646535), wk = 0.0042017 k( 141) = ( 0.3000000 -0.0432307 0.1580674), wk = 0.0042017 k( 142) = ( 0.2875000 -0.0414294 0.1514812), wk = 0.0042017 k( 143) = ( 0.2750000 -0.0396281 0.1448951), wk = 0.0042017 k( 144) = ( 0.2625000 -0.0378268 0.1383090), wk = 0.0042017 k( 145) = ( 0.2500000 -0.0360256 0.1317228), wk = 0.0042017 k( 146) = ( 0.2375000 -0.0342243 0.1251367), wk = 0.0042017 k( 147) = ( 0.2250000 -0.0324230 0.1185505), wk = 0.0042017 k( 148) = ( 0.2125000 -0.0306217 0.1119644), wk = 0.0042017 k( 149) = ( 0.2000000 -0.0288204 0.1053783), wk = 0.0042017 k( 150) = ( 0.1875000 -0.0270192 0.0987921), wk = 0.0042017 k( 151) = ( 0.1750000 -0.0252179 0.0922060), wk = 0.0042017 k( 152) = ( 0.1625000 -0.0234166 0.0856198), wk = 0.0042017 k( 153) = ( 0.1500000 -0.0216153 0.0790337), wk = 0.0042017 k( 154) = ( 0.1375000 -0.0198141 0.0724476), wk = 0.0042017 k( 155) = ( 0.1250000 -0.0180128 0.0658614), wk = 0.0042017 k( 156) = ( 0.1125000 -0.0162115 0.0592753), wk = 0.0042017 k( 157) = ( 0.1000000 -0.0144102 0.0526891), wk = 0.0042017 k( 158) = ( 0.0875000 -0.0126089 0.0461030), wk = 0.0042017 k( 159) = ( 0.0750000 -0.0108077 0.0395168), wk = 0.0042017 k( 160) = ( 0.0625000 -0.0090064 0.0329307), wk = 0.0042017 k( 161) = ( 0.0500000 -0.0072051 0.0263446), wk = 0.0042017 k( 162) = ( 0.0375000 -0.0054038 0.0197584), wk = 0.0042017 k( 163) = ( 0.0250000 -0.0036026 0.0131723), wk = 0.0042017 k( 164) = ( 0.0125000 -0.0018013 0.0065861), wk = 0.0042017 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 167) = ( 0.0000000 0.0112511 0.0090643), wk = 0.0042017 k( 168) = ( 0.0000000 0.0225022 0.0181285), wk = 0.0042017 k( 169) = ( 0.0000000 0.0337533 0.0271928), wk = 0.0042017 k( 170) = ( 0.0000000 0.0450044 0.0362571), wk = 0.0042017 k( 171) = ( 0.0000000 0.0562555 0.0453214), wk = 0.0042017 k( 172) = ( 0.0000000 0.0675066 0.0543856), wk = 0.0042017 k( 173) = ( 0.0000000 0.0787577 0.0634499), wk = 0.0042017 k( 174) = ( 0.0000000 0.0900088 0.0725142), wk = 0.0042017 k( 175) = ( 0.0000000 0.1012599 0.0815785), wk = 0.0042017 k( 176) = ( 0.0000000 0.1125110 0.0906427), wk = 0.0042017 k( 177) = ( 0.0000000 0.1237621 0.0997070), wk = 0.0042017 k( 178) = ( 0.0000000 0.1350132 0.1087713), wk = 0.0042017 k( 179) = ( 0.0000000 0.1462643 0.1178355), wk = 0.0042017 k( 180) = ( 0.0000000 0.1575155 0.1268998), wk = 0.0042017 k( 181) = ( 0.0000000 0.1687666 0.1359641), wk = 0.0042017 k( 182) = ( 0.0000000 0.1800177 0.1450284), wk = 0.0042017 k( 183) = ( 0.0000000 0.1912688 0.1540926), wk = 0.0042017 k( 184) = ( 0.0000000 0.2025199 0.1631569), wk = 0.0042017 k( 185) = ( 0.0000000 0.2137710 0.1722212), wk = 0.0042017 k( 186) = ( 0.0000000 0.2250221 0.1812855), wk = 0.0042017 k( 187) = ( 0.0000000 0.2362732 0.1903497), wk = 0.0042017 k( 188) = ( 0.0000000 0.2475243 0.1994140), wk = 0.0042017 k( 189) = ( 0.0000000 0.2587754 0.2084783), wk = 0.0042017 k( 190) = ( 0.0000000 0.2700265 0.2175425), wk = 0.0042017 k( 191) = ( 0.0000000 0.2812776 0.2266068), wk = 0.0042017 k( 192) = ( 0.0000000 0.2925287 0.2356711), wk = 0.0042017 k( 193) = ( 0.0000000 0.3037798 0.2447354), wk = 0.0042017 k( 194) = ( 0.0000000 0.3150309 0.2537996), wk = 0.0042017 k( 195) = ( 0.0000000 0.3262820 0.2628639), wk = 0.0042017 k( 196) = ( 0.5000000 0.2542309 0.2120618), wk = 0.0042017 k( 197) = ( 0.4880952 0.2481778 0.2070127), wk = 0.0042017 k( 198) = ( 0.4761905 0.2421247 0.2019636), wk = 0.0042017 k( 199) = ( 0.4642857 0.2360716 0.1969145), wk = 0.0042017 k( 200) = ( 0.4523810 0.2300184 0.1918655), wk = 0.0042017 k( 201) = ( 0.4404762 0.2239653 0.1868164), wk = 0.0042017 k( 202) = ( 0.4285714 0.2179122 0.1817673), wk = 0.0042017 k( 203) = ( 0.4166667 0.2118591 0.1767182), wk = 0.0042017 k( 204) = ( 0.4047619 0.2058060 0.1716691), wk = 0.0042017 k( 205) = ( 0.3928571 0.1997529 0.1666200), wk = 0.0042017 k( 206) = ( 0.3809524 0.1936997 0.1615709), wk = 0.0042017 k( 207) = ( 0.3690476 0.1876466 0.1565218), wk = 0.0042017 k( 208) = ( 0.3571429 0.1815935 0.1514727), wk = 0.0042017 k( 209) = ( 0.3452381 0.1755404 0.1464236), wk = 0.0042017 k( 210) = ( 0.3333333 0.1694873 0.1413745), wk = 0.0042017 k( 211) = ( 0.3214286 0.1634342 0.1363255), wk = 0.0042017 k( 212) = ( 0.3095238 0.1573810 0.1312764), wk = 0.0042017 k( 213) = ( 0.2976190 0.1513279 0.1262273), wk = 0.0042017 k( 214) = ( 0.2857143 0.1452748 0.1211782), wk = 0.0042017 k( 215) = ( 0.2738095 0.1392217 0.1161291), wk = 0.0042017 k( 216) = ( 0.2619048 0.1331686 0.1110800), wk = 0.0042017 k( 217) = ( 0.2500000 0.1271155 0.1060309), wk = 0.0042017 k( 218) = ( 0.2380952 0.1210623 0.1009818), wk = 0.0042017 k( 219) = ( 0.2261905 0.1150092 0.0959327), wk = 0.0042017 k( 220) = ( 0.2142857 0.1089561 0.0908836), wk = 0.0042017 k( 221) = ( 0.2023810 0.1029030 0.0858345), wk = 0.0042017 k( 222) = ( 0.1904762 0.0968499 0.0807855), wk = 0.0042017 k( 223) = ( 0.1785714 0.0907968 0.0757364), wk = 0.0042017 k( 224) = ( 0.1666667 0.0847436 0.0706873), wk = 0.0042017 k( 225) = ( 0.1547619 0.0786905 0.0656382), wk = 0.0042017 k( 226) = ( 0.1428571 0.0726374 0.0605891), wk = 0.0042017 k( 227) = ( 0.1309524 0.0665843 0.0555400), wk = 0.0042017 k( 228) = ( 0.1190476 0.0605312 0.0504909), wk = 0.0042017 k( 229) = ( 0.1071429 0.0544781 0.0454418), wk = 0.0042017 k( 230) = ( 0.0952381 0.0484249 0.0403927), wk = 0.0042017 k( 231) = ( 0.0833333 0.0423718 0.0353436), wk = 0.0042017 k( 232) = ( 0.0714286 0.0363187 0.0302945), wk = 0.0042017 k( 233) = ( 0.0595238 0.0302656 0.0252455), wk = 0.0042017 k( 234) = ( 0.0476191 0.0242125 0.0201964), wk = 0.0042017 k( 235) = ( 0.0357143 0.0181594 0.0151473), wk = 0.0042017 k( 236) = ( 0.0238095 0.0121062 0.0100982), wk = 0.0042017 k( 237) = ( 0.0119048 0.0060531 0.0050491), wk = 0.0042017 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 cryst. coord. k( 1) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0042017 k( 2) = ( 0.4857143 0.0000000 -0.0000000), wk = 0.0042017 k( 3) = ( 0.4714286 0.0000000 -0.0000000), wk = 0.0042017 k( 4) = ( 0.4571429 0.0000000 -0.0000000), wk = 0.0042017 k( 5) = ( 0.4428571 0.0000000 -0.0000000), wk = 0.0042017 k( 6) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0042017 k( 7) = ( 0.4142857 0.0000000 -0.0000000), wk = 0.0042017 k( 8) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0042017 k( 9) = ( 0.3857143 0.0000000 0.0000000), wk = 0.0042017 k( 10) = ( 0.3714286 0.0000000 -0.0000000), wk = 0.0042017 k( 11) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0042017 k( 12) = ( 0.3428571 0.0000000 -0.0000000), wk = 0.0042017 k( 13) = ( 0.3285714 0.0000000 -0.0000000), wk = 0.0042017 k( 14) = ( 0.3142857 0.0000000 -0.0000000), wk = 0.0042017 k( 15) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0042017 k( 16) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0042017 k( 17) = ( 0.2714286 0.0000000 0.0000000), wk = 0.0042017 k( 18) = ( 0.2571429 0.0000000 -0.0000000), wk = 0.0042017 k( 19) = ( 0.2428571 0.0000000 -0.0000000), wk = 0.0042017 k( 20) = ( 0.2285714 0.0000000 -0.0000000), wk = 0.0042017 k( 21) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0042017 k( 22) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0042017 k( 23) = ( 0.1857143 0.0000000 -0.0000000), wk = 0.0042017 k( 24) = ( 0.1714286 0.0000000 -0.0000000), wk = 0.0042017 k( 25) = ( 0.1571429 -0.0000000 0.0000000), wk = 0.0042017 k( 26) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0042017 k( 27) = ( 0.1285714 0.0000000 -0.0000000), wk = 0.0042017 k( 28) = ( 0.1142857 0.0000000 -0.0000000), wk = 0.0042017 k( 29) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0042017 k( 30) = ( 0.0857143 0.0000000 -0.0000000), wk = 0.0042017 k( 31) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0042017 k( 32) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0042017 k( 33) = ( 0.0428571 0.0000000 -0.0000000), wk = 0.0042017 k( 34) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0042017 k( 35) = ( 0.0142857 0.0000000 -0.0000000), wk = 0.0042017 k( 36) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 37) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 38) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0042017 k( 39) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0042017 k( 40) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0042017 k( 41) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0042017 k( 42) = ( 0.0000000 0.1086957 0.0000000), wk = 0.0042017 k( 43) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0042017 k( 44) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0042017 k( 45) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0042017 k( 46) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0042017 k( 47) = ( 0.0000000 0.2173913 0.0000000), wk = 0.0042017 k( 48) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0042017 k( 49) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0042017 k( 50) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0042017 k( 51) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0042017 k( 52) = ( 0.0000000 0.3260870 0.0000000), wk = 0.0042017 k( 53) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0042017 k( 54) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0042017 k( 55) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0042017 k( 56) = ( 0.0000000 0.4130435 0.0000000), wk = 0.0042017 k( 57) = ( 0.0000000 0.4347826 0.0000000), wk = 0.0042017 k( 58) = ( 0.0000000 0.4565217 0.0000000), wk = 0.0042017 k( 59) = ( 0.0000000 0.4782609 0.0000000), wk = 0.0042017 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042017 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042017 k( 62) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0042017 k( 63) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0042017 k( 64) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0042017 k( 65) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0042017 k( 66) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0042017 k( 67) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0042017 k( 68) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0042017 k( 69) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0042017 k( 70) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0042017 k( 71) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0042017 k( 72) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0042017 k( 73) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0042017 k( 74) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0042017 k( 75) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0042017 k( 76) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0042017 k( 77) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0042017 k( 78) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0042017 k( 79) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0042017 k( 80) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0042017 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0042017 k( 82) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0042017 k( 83) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0042017 k( 84) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0042017 k( 85) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0042017 k( 86) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0042017 k( 87) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0042017 k( 88) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0042017 k( 89) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0042017 k( 90) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0042017 k( 91) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0042017 k( 92) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0042017 k( 93) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0042017 k( 94) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0042017 k( 95) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0042017 k( 96) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0042017 k( 97) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0042017 k( 98) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0042017 k( 99) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0042017 k( 100) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0042017 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 103) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0042017 k( 104) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0042017 k( 105) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0042017 k( 106) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0042017 k( 107) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0042017 k( 108) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0042017 k( 109) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0042017 k( 110) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0042017 k( 111) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0042017 k( 112) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0042017 k( 113) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0042017 k( 114) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0042017 k( 115) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0042017 k( 116) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0042017 k( 117) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0042017 k( 118) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0042017 k( 119) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0042017 k( 120) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0042017 k( 121) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0042017 k( 122) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0042017 k( 123) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0042017 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042017 k( 125) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042017 k( 126) = ( 0.4875000 0.0000000 0.4875000), wk = 0.0042017 k( 127) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0042017 k( 128) = ( 0.4625000 0.0000000 0.4625000), wk = 0.0042017 k( 129) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0042017 k( 130) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0042017 k( 131) = ( 0.4250000 0.0000000 0.4250000), wk = 0.0042017 k( 132) = ( 0.4125000 -0.0000000 0.4125000), wk = 0.0042017 k( 133) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0042017 k( 134) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0042017 k( 135) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0042017 k( 136) = ( 0.3625000 0.0000000 0.3625000), wk = 0.0042017 k( 137) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0042017 k( 138) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0042017 k( 139) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0042017 k( 140) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0042017 k( 141) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0042017 k( 142) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0042017 k( 143) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0042017 k( 144) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0042017 k( 145) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0042017 k( 146) = ( 0.2375000 0.0000000 0.2375000), wk = 0.0042017 k( 147) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0042017 k( 148) = ( 0.2125000 0.0000000 0.2125000), wk = 0.0042017 k( 149) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0042017 k( 150) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0042017 k( 151) = ( 0.1750000 0.0000000 0.1750000), wk = 0.0042017 k( 152) = ( 0.1625000 0.0000000 0.1625000), wk = 0.0042017 k( 153) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0042017 k( 154) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0042017 k( 155) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0042017 k( 156) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0042017 k( 157) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0042017 k( 158) = ( 0.0875000 0.0000000 0.0875000), wk = 0.0042017 k( 159) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0042017 k( 160) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0042017 k( 161) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0042017 k( 162) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0042017 k( 163) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0042017 k( 164) = ( 0.0125000 0.0000000 0.0125000), wk = 0.0042017 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 k( 167) = ( 0.0000000 0.0172414 0.0172414), wk = 0.0042017 k( 168) = ( 0.0000000 0.0344828 0.0344828), wk = 0.0042017 k( 169) = ( 0.0000000 0.0517241 0.0517241), wk = 0.0042017 k( 170) = ( 0.0000000 0.0689655 0.0689655), wk = 0.0042017 k( 171) = ( 0.0000000 0.0862069 0.0862069), wk = 0.0042017 k( 172) = ( 0.0000000 0.1034483 0.1034483), wk = 0.0042017 k( 173) = ( 0.0000000 0.1206897 0.1206897), wk = 0.0042017 k( 174) = ( 0.0000000 0.1379310 0.1379310), wk = 0.0042017 k( 175) = ( 0.0000000 0.1551724 0.1551724), wk = 0.0042017 k( 176) = ( 0.0000000 0.1724138 0.1724138), wk = 0.0042017 k( 177) = ( 0.0000000 0.1896552 0.1896552), wk = 0.0042017 k( 178) = ( 0.0000000 0.2068966 0.2068966), wk = 0.0042017 k( 179) = ( 0.0000000 0.2241379 0.2241379), wk = 0.0042017 k( 180) = ( 0.0000000 0.2413793 0.2413793), wk = 0.0042017 k( 181) = ( 0.0000000 0.2586207 0.2586207), wk = 0.0042017 k( 182) = ( 0.0000000 0.2758621 0.2758621), wk = 0.0042017 k( 183) = ( 0.0000000 0.2931035 0.2931035), wk = 0.0042017 k( 184) = ( 0.0000000 0.3103448 0.3103448), wk = 0.0042017 k( 185) = ( 0.0000000 0.3275862 0.3275862), wk = 0.0042017 k( 186) = ( 0.0000000 0.3448276 0.3448276), wk = 0.0042017 k( 187) = ( 0.0000000 0.3620690 0.3620690), wk = 0.0042017 k( 188) = ( 0.0000000 0.3793103 0.3793103), wk = 0.0042017 k( 189) = ( 0.0000000 0.3965517 0.3965517), wk = 0.0042017 k( 190) = ( 0.0000000 0.4137931 0.4137931), wk = 0.0042017 k( 191) = ( 0.0000000 0.4310345 0.4310345), wk = 0.0042017 k( 192) = ( 0.0000000 0.4482759 0.4482759), wk = 0.0042017 k( 193) = ( 0.0000000 0.4655172 0.4655172), wk = 0.0042017 k( 194) = ( 0.0000000 0.4827586 0.4827586), wk = 0.0042017 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042017 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042017 k( 197) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0042017 k( 198) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0042017 k( 199) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0042017 k( 200) = ( 0.4523810 0.4523809 0.4523810), wk = 0.0042017 k( 201) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0042017 k( 202) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0042017 k( 203) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0042017 k( 204) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0042017 k( 205) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0042017 k( 206) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0042017 k( 207) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0042017 k( 208) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0042017 k( 209) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0042017 k( 210) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0042017 k( 211) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0042017 k( 212) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0042017 k( 213) = ( 0.2976190 0.2976191 0.2976191), wk = 0.0042017 k( 214) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0042017 k( 215) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0042017 k( 216) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0042017 k( 217) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042017 k( 218) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0042017 k( 219) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0042017 k( 220) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0042017 k( 221) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0042017 k( 222) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0042017 k( 223) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0042017 k( 224) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0042017 k( 225) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0042017 k( 226) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0042017 k( 227) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0042017 k( 228) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0042017 k( 229) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0042017 k( 230) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0042017 k( 231) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0042017 k( 232) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0042017 k( 233) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0042017 k( 234) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0042017 k( 235) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0042017 k( 236) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0042017 k( 237) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0042017 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042017 Dense grid: 59373 G-vectors FFT dimensions: ( 36, 60, 60) Smooth grid: 47439 G-vectors FFT dimensions: ( 36, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 174, 46) NL pseudopotentials 0.27 Mb ( 87, 204) Each V/rho on FFT grid 0.03 Mb ( 2160) Each G-vector array 0.01 Mb ( 826) G-vector shells 0.01 Mb ( 798) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 174, 184) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.29 Mb ( 204, 2, 46) The potential is recalculated from file : ./PI2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 9.1 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 12.0 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.7 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.9 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.0 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.8 secs Computing kpt #: 29 total cpu time spent up to now is 18.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.1 secs Computing kpt #: 33 total cpu time spent up to now is 20.6 secs Computing kpt #: 34 total cpu time spent up to now is 21.3 secs Computing kpt #: 35 total cpu time spent up to now is 22.0 secs Computing kpt #: 36 total cpu time spent up to now is 22.6 secs Computing kpt #: 37 total cpu time spent up to now is 23.2 secs Computing kpt #: 38 total cpu time spent up to now is 23.8 secs Computing kpt #: 39 total cpu time spent up to now is 24.3 secs Computing kpt #: 40 total cpu time spent up to now is 24.9 secs Computing kpt #: 41 total cpu time spent up to now is 25.5 secs Computing kpt #: 42 total cpu time spent up to now is 26.1 secs Computing kpt #: 43 total cpu time spent up to now is 26.6 secs Computing kpt #: 44 total cpu time spent up to now is 27.2 secs Computing kpt #: 45 total cpu time spent up to now is 27.8 secs Computing kpt #: 46 total cpu time spent up to now is 28.5 secs Computing kpt #: 47 total cpu time spent up to now is 29.2 secs Computing kpt #: 48 total cpu time spent up to now is 29.8 secs Computing kpt #: 49 total cpu time spent up to now is 30.3 secs Computing kpt #: 50 total cpu time spent up to now is 30.9 secs Computing kpt #: 51 total cpu time spent up to now is 31.5 secs Computing kpt #: 52 total cpu time spent up to now is 32.0 secs Computing kpt #: 53 total cpu time spent up to now is 32.6 secs Computing kpt #: 54 total cpu time spent up to now is 33.1 secs Computing kpt #: 55 total cpu time spent up to now is 33.7 secs Computing kpt #: 56 total cpu time spent up to now is 34.3 secs Computing kpt #: 57 total cpu time spent up to now is 34.8 secs Computing kpt #: 58 total cpu time spent up to now is 35.4 secs Computing kpt #: 59 total cpu time spent up to now is 36.0 secs Computing kpt #: 60 total cpu time spent up to now is 36.5 secs Computing kpt #: 61 total cpu time spent up to now is 37.1 secs Computing kpt #: 62 total cpu time spent up to now is 37.7 secs Computing kpt #: 63 total cpu time spent up to now is 38.3 secs Computing kpt #: 64 total cpu time spent up to now is 38.8 secs Computing kpt #: 65 total cpu time spent up to now is 39.4 secs Computing kpt #: 66 total cpu time spent up to now is 40.0 secs Computing kpt #: 67 total cpu time spent up to now is 40.6 secs Computing kpt #: 68 total cpu time spent up to now is 41.3 secs Computing kpt #: 69 total cpu time spent up to now is 41.9 secs Computing kpt #: 70 total cpu time spent up to now is 42.5 secs Computing kpt #: 71 total cpu time spent up to now is 43.1 secs Computing kpt #: 72 total cpu time spent up to now is 43.7 secs Computing kpt #: 73 total cpu time spent up to now is 44.3 secs Computing kpt #: 74 total cpu time spent up to now is 44.9 secs Computing kpt #: 75 total cpu time spent up to now is 45.6 secs Computing kpt #: 76 total cpu time spent up to now is 46.2 secs Computing kpt #: 77 total cpu time spent up to now is 46.8 secs Computing kpt #: 78 total cpu time spent up to now is 47.4 secs Computing kpt #: 79 total cpu time spent up to now is 48.0 secs Computing kpt #: 80 total cpu time spent up to now is 48.6 secs Computing kpt #: 81 total cpu time spent up to now is 49.2 secs Computing kpt #: 82 total cpu time spent up to now is 49.8 secs Computing kpt #: 83 total cpu time spent up to now is 50.4 secs Computing kpt #: 84 total cpu time spent up to now is 51.0 secs Computing kpt #: 85 total cpu time spent up to now is 51.6 secs Computing kpt #: 86 total cpu time spent up to now is 52.2 secs Computing kpt #: 87 total cpu time spent up to now is 52.8 secs Computing kpt #: 88 total cpu time spent up to now is 53.3 secs Computing kpt #: 89 total cpu time spent up to now is 53.9 secs Computing kpt #: 90 total cpu time spent up to now is 54.5 secs Computing kpt #: 91 total cpu time spent up to now is 55.0 secs Computing kpt #: 92 total cpu time spent up to now is 55.6 secs Computing kpt #: 93 total cpu time spent up to now is 56.2 secs Computing kpt #: 94 total cpu time spent up to now is 56.8 secs Computing kpt #: 95 total cpu time spent up to now is 57.3 secs Computing kpt #: 96 total cpu time spent up to now is 57.9 secs Computing kpt #: 97 total cpu time spent up to now is 58.5 secs Computing kpt #: 98 total cpu time spent up to now is 59.1 secs Computing kpt #: 99 total cpu time spent up to now is 59.6 secs Computing kpt #: 100 total cpu time spent up to now is 60.2 secs Computing kpt #: 101 total cpu time spent up to now is 60.8 secs Computing kpt #: 102 total cpu time spent up to now is 61.3 secs Computing kpt #: 103 total cpu time spent up to now is 61.9 secs Computing kpt #: 104 total cpu time spent up to now is 62.5 secs Computing kpt #: 105 total cpu time spent up to now is 63.0 secs Computing kpt #: 106 total cpu time spent up to now is 63.6 secs Computing kpt #: 107 total cpu time spent up to now is 64.2 secs Computing kpt #: 108 total cpu time spent up to now is 64.7 secs Computing kpt #: 109 total cpu time spent up to now is 65.3 secs Computing kpt #: 110 total cpu time spent up to now is 66.0 secs Computing kpt #: 111 total cpu time spent up to now is 66.6 secs Computing kpt #: 112 total cpu time spent up to now is 67.2 secs Computing kpt #: 113 total cpu time spent up to now is 67.8 secs Computing kpt #: 114 total cpu time spent up to now is 68.4 secs Computing kpt #: 115 total cpu time spent up to now is 69.0 secs Computing kpt #: 116 total cpu time spent up to now is 69.6 secs Computing kpt #: 117 total cpu time spent up to now is 70.2 secs Computing kpt #: 118 total cpu time spent up to now is 70.8 secs Computing kpt #: 119 total cpu time spent up to now is 71.4 secs Computing kpt #: 120 total cpu time spent up to now is 72.0 secs Computing kpt #: 121 total cpu time spent up to now is 72.6 secs Computing kpt #: 122 total cpu time spent up to now is 73.2 secs Computing kpt #: 123 total cpu time spent up to now is 73.8 secs Computing kpt #: 124 total cpu time spent up to now is 74.4 secs Computing kpt #: 125 total cpu time spent up to now is 75.0 secs Computing kpt #: 126 total cpu time spent up to now is 75.6 secs Computing kpt #: 127 total cpu time spent up to now is 76.2 secs Computing kpt #: 128 total cpu time spent up to now is 76.9 secs Computing kpt #: 129 total cpu time spent up to now is 77.5 secs Computing kpt #: 130 total cpu time spent up to now is 78.1 secs Computing kpt #: 131 total cpu time spent up to now is 78.8 secs Computing kpt #: 132 total cpu time spent up to now is 79.4 secs Computing kpt #: 133 total cpu time spent up to now is 80.0 secs Computing kpt #: 134 total cpu time spent up to now is 80.6 secs Computing kpt #: 135 total cpu time spent up to now is 81.2 secs Computing kpt #: 136 total cpu time spent up to now is 81.8 secs Computing kpt #: 137 total cpu time spent up to now is 82.4 secs Computing kpt #: 138 total cpu time spent up to now is 83.0 secs Computing kpt #: 139 total cpu time spent up to now is 83.6 secs Computing kpt #: 140 total cpu time spent up to now is 84.2 secs Computing kpt #: 141 total cpu time spent up to now is 84.8 secs Computing kpt #: 142 total cpu time spent up to now is 85.4 secs Computing kpt #: 143 total cpu time spent up to now is 86.0 secs Computing kpt #: 144 total cpu time spent up to now is 86.6 secs Computing kpt #: 145 total cpu time spent up to now is 87.2 secs Computing kpt #: 146 total cpu time spent up to now is 87.9 secs Computing kpt #: 147 total cpu time spent up to now is 88.5 secs Computing kpt #: 148 total cpu time spent up to now is 89.1 secs Computing kpt #: 149 total cpu time spent up to now is 89.7 secs Computing kpt #: 150 total cpu time spent up to now is 90.3 secs Computing kpt #: 151 total cpu time spent up to now is 90.9 secs Computing kpt #: 152 total cpu time spent up to now is 91.5 secs Computing kpt #: 153 total cpu time spent up to now is 92.1 secs Computing kpt #: 154 total cpu time spent up to now is 92.7 secs Computing kpt #: 155 total cpu time spent up to now is 93.3 secs Computing kpt #: 156 total cpu time spent up to now is 93.9 secs Computing kpt #: 157 total cpu time spent up to now is 94.5 secs Computing kpt #: 158 total cpu time spent up to now is 95.1 secs Computing kpt #: 159 total cpu time spent up to now is 95.6 secs Computing kpt #: 160 total cpu time spent up to now is 96.2 secs Computing kpt #: 161 total cpu time spent up to now is 96.8 secs Computing kpt #: 162 total cpu time spent up to now is 97.4 secs Computing kpt #: 163 total cpu time spent up to now is 97.9 secs Computing kpt #: 164 total cpu time spent up to now is 98.5 secs Computing kpt #: 165 total cpu time spent up to now is 99.0 secs Computing kpt #: 166 total cpu time spent up to now is 99.6 secs Computing kpt #: 167 total cpu time spent up to now is 100.2 secs Computing kpt #: 168 total cpu time spent up to now is 100.8 secs Computing kpt #: 169 total cpu time spent up to now is 101.3 secs Computing kpt #: 170 total cpu time spent up to now is 101.9 secs Computing kpt #: 171 total cpu time spent up to now is 102.6 secs Computing kpt #: 172 total cpu time spent up to now is 103.1 secs Computing kpt #: 173 total cpu time spent up to now is 103.7 secs Computing kpt #: 174 total cpu time spent up to now is 104.3 secs Computing kpt #: 175 total cpu time spent up to now is 104.9 secs Computing kpt #: 176 total cpu time spent up to now is 105.5 secs Computing kpt #: 177 total cpu time spent up to now is 106.1 secs Computing kpt #: 178 total cpu time spent up to now is 106.7 secs Computing kpt #: 179 total cpu time spent up to now is 107.3 secs Computing kpt #: 180 total cpu time spent up to now is 107.9 secs Computing kpt #: 181 total cpu time spent up to now is 108.5 secs Computing kpt #: 182 total cpu time spent up to now is 109.1 secs Computing kpt #: 183 total cpu time spent up to now is 109.7 secs Computing kpt #: 184 total cpu time spent up to now is 110.2 secs Computing kpt #: 185 total cpu time spent up to now is 110.8 secs Computing kpt #: 186 total cpu time spent up to now is 111.4 secs Computing kpt #: 187 total cpu time spent up to now is 112.0 secs Computing kpt #: 188 total cpu time spent up to now is 112.6 secs Computing kpt #: 189 total cpu time spent up to now is 113.2 secs Computing kpt #: 190 total cpu time spent up to now is 113.8 secs Computing kpt #: 191 total cpu time spent up to now is 114.4 secs Computing kpt #: 192 total cpu time spent up to now is 114.9 secs Computing kpt #: 193 total cpu time spent up to now is 115.5 secs Computing kpt #: 194 total cpu time spent up to now is 116.1 secs Computing kpt #: 195 total cpu time spent up to now is 116.7 secs Computing kpt #: 196 total cpu time spent up to now is 117.3 secs Computing kpt #: 197 total cpu time spent up to now is 117.9 secs Computing kpt #: 198 total cpu time spent up to now is 118.4 secs Computing kpt #: 199 total cpu time spent up to now is 119.0 secs Computing kpt #: 200 total cpu time spent up to now is 119.6 secs Computing kpt #: 201 total cpu time spent up to now is 120.2 secs Computing kpt #: 202 total cpu time spent up to now is 120.8 secs Computing kpt #: 203 total cpu time spent up to now is 121.4 secs Computing kpt #: 204 total cpu time spent up to now is 122.0 secs Computing kpt #: 205 total cpu time spent up to now is 124.1 secs Computing kpt #: 206 total cpu time spent up to now is 124.7 secs Computing kpt #: 207 total cpu time spent up to now is 125.3 secs Computing kpt #: 208 total cpu time spent up to now is 125.9 secs Computing kpt #: 209 total cpu time spent up to now is 126.5 secs Computing kpt #: 210 total cpu time spent up to now is 127.1 secs Computing kpt #: 211 total cpu time spent up to now is 127.7 secs Computing kpt #: 212 total cpu time spent up to now is 128.3 secs Computing kpt #: 213 total cpu time spent up to now is 128.9 secs Computing kpt #: 214 total cpu time spent up to now is 129.5 secs Computing kpt #: 215 total cpu time spent up to now is 130.0 secs Computing kpt #: 216 total cpu time spent up to now is 130.6 secs Computing kpt #: 217 total cpu time spent up to now is 131.2 secs Computing kpt #: 218 total cpu time spent up to now is 131.8 secs Computing kpt #: 219 total cpu time spent up to now is 132.4 secs Computing kpt #: 220 total cpu time spent up to now is 133.0 secs Computing kpt #: 221 total cpu time spent up to now is 133.6 secs Computing kpt #: 222 total cpu time spent up to now is 134.2 secs Computing kpt #: 223 total cpu time spent up to now is 134.8 secs Computing kpt #: 224 total cpu time spent up to now is 135.3 secs Computing kpt #: 225 total cpu time spent up to now is 135.9 secs Computing kpt #: 226 total cpu time spent up to now is 136.5 secs Computing kpt #: 227 total cpu time spent up to now is 137.1 secs Computing kpt #: 228 total cpu time spent up to now is 137.6 secs Computing kpt #: 229 total cpu time spent up to now is 138.2 secs Computing kpt #: 230 total cpu time spent up to now is 138.8 secs Computing kpt #: 231 total cpu time spent up to now is 139.3 secs Computing kpt #: 232 total cpu time spent up to now is 139.9 secs Computing kpt #: 233 total cpu time spent up to now is 140.5 secs Computing kpt #: 234 total cpu time spent up to now is 141.1 secs Computing kpt #: 235 total cpu time spent up to now is 141.6 secs Computing kpt #: 236 total cpu time spent up to now is 142.2 secs Computing kpt #: 237 total cpu time spent up to now is 142.8 secs Computing kpt #: 238 total cpu time spent up to now is 143.3 secs ethr = 2.63E-08, avg # of iterations = 16.1 total cpu time spent up to now is 143.3 secs End of band structure calculation k = 0.5000-0.0721-0.0508 ( 5932 PWs) bands (ev): -10.8299 -10.8299 -9.9687 -9.9687 -9.0979 -9.0979 -8.9154 -8.9154 -7.4649 -7.4649 -5.3865 -5.3865 -1.7845 -1.7845 -1.4814 -1.4814 -1.2897 -1.2897 -0.9065 -0.9065 -0.1496 -0.1496 0.5377 0.5377 0.8919 0.8919 0.9985 0.9985 1.2840 1.2840 1.3253 1.3253 2.1679 2.1679 2.2143 2.2143 2.7288 2.7288 4.5639 4.5639 5.1966 5.1966 5.5782 5.5782 5.9148 5.9148 k = 0.4857-0.0700-0.0494 ( 5928 PWs) bands (ev): -10.8303 -10.8303 -9.9688 -9.9688 -9.0979 -9.0979 -8.9156 -8.9156 -7.4652 -7.4652 -5.3860 -5.3860 -1.7838 -1.7838 -1.4814 -1.4814 -1.2895 -1.2895 -0.9047 -0.9047 -0.1491 -0.1491 0.5385 0.5385 0.8884 0.8884 1.0026 1.0026 1.2807 1.2807 1.3308 1.3308 2.1674 2.1674 2.2151 2.2151 2.7284 2.7284 4.5625 4.5625 5.1955 5.1955 5.5784 5.5784 5.9152 5.9152 k = 0.4714-0.0679-0.0479 ( 5932 PWs) bands (ev): -10.8315 -10.8315 -9.9692 -9.9692 -9.0979 -9.0979 -8.9162 -8.9162 -7.4659 -7.4659 -5.3843 -5.3843 -1.7817 -1.7817 -1.4814 -1.4814 -1.2890 -1.2890 -0.8996 -0.8996 -0.1476 -0.1476 0.5406 0.5406 0.8794 0.8794 1.0136 1.0136 1.2744 1.2744 1.3441 1.3441 2.1661 2.1661 2.2175 2.2175 2.7272 2.7272 4.5582 4.5582 5.1922 5.1922 5.5790 5.5790 5.9163 5.9163 k = 0.4571-0.0659-0.0464 ( 5928 PWs) bands (ev): -10.8335 -10.8335 -9.9699 -9.9699 -9.0979 -9.0979 -8.9171 -8.9171 -7.4672 -7.4672 -5.3816 -5.3816 -1.7782 -1.7782 -1.4814 -1.4814 -1.2880 -1.2880 -0.8910 -0.8910 -0.1450 -0.1450 0.5440 0.5440 0.8679 0.8679 1.0284 1.0284 1.2685 1.2685 1.3614 1.3614 2.1640 2.1640 2.2211 2.2211 2.7253 2.7253 4.5511 4.5511 5.1868 5.1868 5.5801 5.5801 5.9181 5.9181 k = 0.4429-0.0638-0.0450 ( 5924 PWs) bands (ev): -10.8363 -10.8363 -9.9709 -9.9709 -9.0980 -9.0980 -8.9184 -8.9184 -7.4689 -7.4689 -5.3778 -5.3778 -1.7734 -1.7734 -1.4814 -1.4814 -1.2865 -1.2865 -0.8793 -0.8793 -0.1412 -0.1412 0.5480 0.5480 0.8562 0.8562 1.0451 1.0451 1.2647 1.2647 1.3815 1.3815 2.1617 2.1617 2.2256 2.2256 2.7226 2.7226 4.5411 4.5411 5.1794 5.1794 5.5815 5.5815 5.9208 5.9208 k = 0.4286-0.0618-0.0435 ( 5922 PWs) bands (ev): -10.8399 -10.8399 -9.9721 -9.9721 -9.0980 -9.0980 -8.9201 -8.9201 -7.4711 -7.4711 -5.3729 -5.3729 -1.7674 -1.7674 -1.4815 -1.4815 -1.2843 -1.2843 -0.8645 -0.8645 -0.1361 -0.1361 0.5521 0.5521 0.8460 0.8460 1.0622 1.0622 1.2637 1.2637 1.4034 1.4034 2.1591 2.1591 2.2307 2.2307 2.7190 2.7190 4.5283 4.5283 5.1700 5.1700 5.5832 5.5832 5.9242 5.9242 k = 0.4143-0.0597-0.0421 ( 5918 PWs) bands (ev): -10.8441 -10.8441 -9.9736 -9.9736 -9.0981 -9.0981 -8.9221 -8.9221 -7.4738 -7.4738 -5.3671 -5.3671 -1.7601 -1.7601 -1.4816 -1.4816 -1.2813 -1.2813 -0.8468 -0.8468 -0.1295 -0.1295 0.5557 0.5557 0.8383 0.8383 1.0789 1.0789 1.2658 1.2658 1.4270 1.4270 2.1565 2.1565 2.2363 2.2363 2.7146 2.7146 4.5128 4.5128 5.1588 5.1588 5.5852 5.5852 5.9285 5.9285 k = 0.4000-0.0576-0.0406 ( 5922 PWs) bands (ev): -10.8490 -10.8490 -9.9754 -9.9754 -9.0983 -9.0983 -8.9244 -8.9244 -7.4769 -7.4769 -5.3604 -5.3604 -1.7518 -1.7518 -1.4819 -1.4819 -1.2773 -1.2773 -0.8264 -0.8264 -0.1212 -0.1212 0.5581 0.5581 0.8342 0.8342 1.0948 1.0948 1.2714 1.2714 1.4518 1.4518 2.1539 2.1539 2.2420 2.2420 2.7093 2.7093 4.4946 4.4946 5.1459 5.1459 5.5874 5.5874 5.9336 5.9336 k = 0.3857-0.0556-0.0392 ( 5915 PWs) bands (ev): -10.8546 -10.8546 -9.9773 -9.9773 -9.0984 -9.0984 -8.9270 -8.9270 -7.4803 -7.4803 -5.3529 -5.3529 -1.7426 -1.7426 -1.4822 -1.4822 -1.2722 -1.2722 -0.8036 -0.8036 -0.1111 -0.1111 0.5586 0.5586 0.8341 0.8341 1.1097 1.1097 1.2805 1.2805 1.4775 1.4775 2.1512 2.1512 2.2479 2.2479 2.7031 2.7031 4.4739 4.4739 5.1314 5.1314 5.5898 5.5898 5.9395 5.9395 k = 0.3714-0.0535-0.0377 ( 5916 PWs) bands (ev): -10.8606 -10.8606 -9.9795 -9.9795 -9.0987 -9.0987 -8.9299 -8.9299 -7.4841 -7.4841 -5.3446 -5.3446 -1.7326 -1.7326 -1.4827 -1.4827 -1.2658 -1.2658 -0.7786 -0.7786 -0.0990 -0.0990 0.5570 0.5570 0.8382 0.8382 1.1236 1.1236 1.2929 1.2929 1.5039 1.5039 2.1485 2.1485 2.2537 2.2537 2.6958 2.6958 4.4511 4.4511 5.1153 5.1153 5.5923 5.5923 5.9462 5.9462 k = 0.3571-0.0515-0.0363 ( 5908 PWs) bands (ev): -10.8672 -10.8672 -9.9819 -9.9819 -9.0989 -9.0989 -8.9330 -8.9330 -7.4883 -7.4883 -5.3357 -5.3357 -1.7220 -1.7220 -1.4833 -1.4833 -1.2578 -1.2578 -0.7515 -0.7515 -0.0848 -0.0848 0.5533 0.5533 0.8464 0.8464 1.1369 1.1369 1.3084 1.3084 1.5308 1.5308 2.1456 2.1456 2.2595 2.2595 2.6875 2.6875 4.4264 4.4264 5.0978 5.0978 5.5949 5.5949 5.9535 5.9535 k = 0.3429-0.0494-0.0348 ( 5904 PWs) bands (ev): -10.8743 -10.8743 -9.9845 -9.9845 -9.0993 -9.0993 -8.9363 -8.9363 -7.4927 -7.4927 -5.3261 -5.3261 -1.7110 -1.7110 -1.4841 -1.4841 -1.2480 -1.2480 -0.7227 -0.7227 -0.0683 -0.0683 0.5477 0.5477 0.8581 0.8581 1.1499 1.1499 1.3266 1.3266 1.5577 1.5577 2.1424 2.1424 2.2650 2.2650 2.6781 2.6781 4.4003 4.4003 5.0789 5.0789 5.5975 5.5975 5.9612 5.9612 k = 0.3286-0.0473-0.0334 ( 5907 PWs) bands (ev): -10.8817 -10.8817 -9.9872 -9.9872 -9.0997 -9.0997 -8.9398 -8.9398 -7.4974 -7.4974 -5.3161 -5.3161 -1.6999 -1.6999 -1.4851 -1.4851 -1.2363 -1.2363 -0.6924 -0.6924 -0.0495 -0.0495 0.5408 0.5408 0.8727 0.8727 1.1631 1.1631 1.3468 1.3468 1.5845 1.5845 2.1386 2.1386 2.2702 2.2702 2.6675 2.6675 4.3733 4.3733 5.0587 5.0587 5.6001 5.6001 5.9693 5.9693 k = 0.3143-0.0453-0.0319 ( 5913 PWs) bands (ev): -10.8894 -10.8894 -9.9901 -9.9901 -9.1002 -9.1002 -8.9435 -8.9435 -7.5023 -7.5023 -5.3057 -5.3057 -1.6888 -1.6888 -1.4864 -1.4864 -1.2224 -1.2224 -0.6607 -0.6607 -0.0284 -0.0284 0.5329 0.5329 0.8895 0.8895 1.1767 1.1767 1.3688 1.3688 1.6110 1.6110 2.1340 2.1340 2.2750 2.2750 2.6558 2.6558 4.3459 4.3459 5.0372 5.0372 5.6027 5.6027 5.9776 5.9776 k = 0.3000-0.0432-0.0305 ( 5919 PWs) bands (ev): -10.8974 -10.8974 -9.9932 -9.9932 -9.1007 -9.1007 -8.9472 -8.9472 -7.5074 -7.5074 -5.2950 -5.2950 -1.6780 -1.6780 -1.4879 -1.4879 -1.2061 -1.2061 -0.6280 -0.6280 -0.0048 -0.0048 0.5246 0.5246 0.9077 0.9077 1.1911 1.1911 1.3920 1.3920 1.6369 1.6369 2.1284 2.1284 2.2795 2.2795 2.6429 2.6429 4.3188 4.3188 5.0143 5.0143 5.6051 5.6051 5.9858 5.9858 k = 0.2857-0.0412-0.0290 ( 5921 PWs) bands (ev): -10.9055 -10.9055 -9.9963 -9.9963 -9.1014 -9.1014 -8.9511 -8.9511 -7.5126 -7.5126 -5.2841 -5.2841 -1.6678 -1.6678 -1.4897 -1.4897 -1.1872 -1.1872 -0.5946 -0.5946 0.0210 0.0210 0.5162 0.5162 0.9269 0.9269 1.2063 1.2063 1.4162 1.4162 1.6619 1.6619 2.1216 2.1216 2.2835 2.2835 2.6289 2.6289 4.2926 4.2926 4.9902 4.9902 5.6075 5.6075 5.9937 5.9937 k = 0.2714-0.0391-0.0276 ( 5922 PWs) bands (ev): -10.9138 -10.9138 -9.9995 -9.9995 -9.1021 -9.1021 -8.9550 -8.9550 -7.5178 -7.5178 -5.2732 -5.2732 -1.6582 -1.6582 -1.4919 -1.4919 -1.1655 -1.1655 -0.5607 -0.5607 0.0490 0.0490 0.5082 0.5082 0.9464 0.9464 1.2223 1.2223 1.4410 1.4410 1.6859 1.6859 2.1132 2.1132 2.2871 2.2871 2.6140 2.6140 4.2679 4.2679 4.9650 4.9650 5.6097 5.6097 6.0011 6.0011 k = 0.2571-0.0371-0.0261 ( 5924 PWs) bands (ev): -10.9221 -10.9221 -10.0027 -10.0027 -9.1028 -9.1028 -8.9589 -8.9589 -7.5232 -7.5232 -5.2622 -5.2622 -1.6493 -1.6493 -1.4944 -1.4944 -1.1410 -1.1410 -0.5265 -0.5265 0.0790 0.0790 0.5007 0.5007 0.9660 0.9660 1.2390 1.2390 1.4661 1.4661 1.7085 1.7085 2.1031 2.1031 2.2902 2.2902 2.5983 2.5983 4.2453 4.2453 4.9386 4.9386 5.6117 5.6117 6.0078 6.0078 k = 0.2429-0.0350-0.0247 ( 5925 PWs) bands (ev): -10.9303 -10.9303 -10.0060 -10.0060 -9.1037 -9.1037 -8.9627 -8.9627 -7.5285 -7.5285 -5.2513 -5.2513 -1.6413 -1.6413 -1.4973 -1.4973 -1.1136 -1.1136 -0.4925 -0.4925 0.1108 0.1108 0.4940 0.4940 0.9854 0.9854 1.2563 1.2563 1.4912 1.4912 1.7295 1.7295 2.0914 2.0914 2.2928 2.2928 2.5821 2.5821 4.2252 4.2252 4.9112 4.9112 5.6135 5.6135 6.0136 6.0136 k = 0.2286-0.0329-0.0232 ( 5922 PWs) bands (ev): -10.9385 -10.9385 -10.0092 -10.0092 -9.1046 -9.1046 -8.9665 -8.9665 -7.5337 -7.5337 -5.2406 -5.2406 -1.6342 -1.6342 -1.5006 -1.5006 -1.0835 -1.0835 -0.4589 -0.4589 0.1440 0.1440 0.4886 0.4886 1.0042 1.0042 1.2738 1.2738 1.5158 1.5158 1.7483 1.7483 2.0784 2.0784 2.2949 2.2949 2.5657 2.5657 4.2080 4.2080 4.8831 4.8831 5.6150 5.6150 6.0183 6.0183 k = 0.2143-0.0309-0.0218 ( 5920 PWs) bands (ev): -10.9464 -10.9464 -10.0124 -10.0124 -9.1055 -9.1055 -8.9703 -8.9703 -7.5389 -7.5389 -5.2302 -5.2302 -1.6279 -1.6279 -1.5042 -1.5042 -1.0507 -1.0507 -0.4261 -0.4261 0.1781 0.1781 0.4848 0.4848 1.0222 1.0222 1.2913 1.2913 1.5395 1.5395 1.7643 1.7643 2.0647 2.0647 2.2963 2.2963 2.5493 2.5493 4.1939 4.1939 4.8544 4.8544 5.6163 5.6163 6.0218 6.0218 k = 0.2000-0.0288-0.0203 ( 5922 PWs) bands (ev): -10.9542 -10.9542 -10.0156 -10.0156 -9.1065 -9.1065 -8.9739 -8.9739 -7.5439 -7.5439 -5.2202 -5.2202 -1.6224 -1.6224 -1.5082 -1.5082 -1.0155 -1.0155 -0.3943 -0.3943 0.2124 0.2124 0.4831 0.4831 1.0394 1.0394 1.3084 1.3084 1.5616 1.5616 1.7768 1.7768 2.0515 2.0515 2.2970 2.2970 2.5334 2.5334 4.1831 4.1831 4.8254 4.8254 5.6172 5.6172 6.0240 6.0240 k = 0.1857-0.0268-0.0189 ( 5921 PWs) bands (ev): -10.9617 -10.9617 -10.0187 -10.0187 -9.1076 -9.1076 -8.9774 -8.9774 -7.5488 -7.5488 -5.2105 -5.2105 -1.6175 -1.6175 -1.5124 -1.5124 -0.9783 -0.9783 -0.3639 -0.3639 0.2459 0.2459 0.4841 0.4841 1.0556 1.0556 1.3248 1.3248 1.5812 1.5812 1.7850 1.7850 2.0406 2.0406 2.2969 2.2969 2.5180 2.5180 4.1756 4.1756 4.7963 4.7963 5.6179 5.6179 6.0248 6.0248 k = 0.1714-0.0247-0.0174 ( 5919 PWs) bands (ev): -10.9689 -10.9689 -10.0217 -10.0217 -9.1086 -9.1086 -8.9807 -8.9807 -7.5535 -7.5535 -5.2013 -5.2013 -1.6133 -1.6133 -1.5169 -1.5169 -0.9393 -0.9393 -0.3352 -0.3352 0.2773 0.2773 0.4890 0.4890 1.0707 1.0707 1.3403 1.3403 1.5971 1.5971 1.7885 1.7885 2.0337 2.0337 2.2961 2.2961 2.5033 2.5033 4.1713 4.1713 4.7674 4.7674 5.6182 5.6182 6.0245 6.0245 k = 0.1571-0.0226-0.0160 ( 5919 PWs) bands (ev): -10.9756 -10.9756 -10.0245 -10.0245 -9.1097 -9.1097 -8.9838 -8.9838 -7.5579 -7.5579 -5.1927 -5.1927 -1.6095 -1.6095 -1.5216 -1.5216 -0.8990 -0.8990 -0.3085 -0.3085 0.3050 0.3050 0.4989 0.4989 1.0846 1.0846 1.3544 1.3544 1.6073 1.6073 1.7884 1.7884 2.0320 2.0320 2.2944 2.2944 2.4895 2.4895 4.1699 4.1699 4.7391 4.7391 5.6182 5.6182 6.0229 6.0229 k = 0.1429-0.0206-0.0145 ( 5915 PWs) bands (ev): -10.9820 -10.9820 -10.0272 -10.0272 -9.1107 -9.1107 -8.9867 -8.9867 -7.5620 -7.5620 -5.1847 -5.1847 -1.6061 -1.6061 -1.5265 -1.5265 -0.8579 -0.8579 -0.2839 -0.2839 0.3274 0.3274 0.5148 0.5148 1.0972 1.0972 1.3669 1.3669 1.6096 1.6096 1.7873 1.7873 2.0358 2.0358 2.2918 2.2918 2.4765 2.4765 4.1711 4.1711 4.7116 4.7116 5.6179 5.6179 6.0202 6.0202 k = 0.1286-0.0185-0.0131 ( 5918 PWs) bands (ev): -10.9879 -10.9879 -10.0296 -10.0296 -9.1117 -9.1117 -8.9893 -8.9893 -7.5659 -7.5659 -5.1773 -5.1773 -1.6030 -1.6030 -1.5314 -1.5314 -0.8167 -0.8167 -0.2618 -0.2618 0.3440 0.3440 0.5368 0.5368 1.1084 1.1084 1.3776 1.3776 1.6024 1.6024 1.7885 1.7885 2.0440 2.0440 2.2885 2.2885 2.4643 2.4643 4.1746 4.1746 4.6853 4.6853 5.6173 5.6173 6.0167 6.0167 k = 0.1143-0.0165-0.0116 ( 5918 PWs) bands (ev): -10.9932 -10.9932 -10.0319 -10.0319 -9.1126 -9.1126 -8.9918 -8.9918 -7.5694 -7.5694 -5.1706 -5.1706 -1.6002 -1.6002 -1.5363 -1.5363 -0.7760 -0.7760 -0.2423 -0.2423 0.3552 0.3552 0.5637 0.5637 1.1183 1.1183 1.3864 1.3864 1.5862 1.5862 1.7933 1.7933 2.0554 2.0554 2.2844 2.2844 2.4530 2.4530 4.1799 4.1799 4.6605 4.6605 5.6165 5.6165 6.0125 6.0125 k = 0.1000-0.0144-0.0102 ( 5924 PWs) bands (ev): -10.9980 -10.9980 -10.0340 -10.0340 -9.1135 -9.1135 -8.9940 -8.9940 -7.5726 -7.5726 -5.1646 -5.1646 -1.5974 -1.5974 -1.5412 -1.5412 -0.7366 -0.7366 -0.2255 -0.2255 0.3623 0.3623 0.5935 0.5935 1.1267 1.1267 1.3932 1.3932 1.5638 1.5638 1.8012 1.8012 2.0685 2.0685 2.2798 2.2798 2.4424 2.4424 4.1865 4.1865 4.6374 4.6374 5.6156 5.6156 6.0079 6.0079 k = 0.0857-0.0124-0.0087 ( 5921 PWs) bands (ev): -11.0023 -11.0023 -10.0358 -10.0358 -9.1143 -9.1143 -8.9959 -8.9959 -7.5754 -7.5754 -5.1594 -5.1594 -1.5948 -1.5948 -1.5460 -1.5460 -0.6994 -0.6994 -0.2114 -0.2114 0.3667 0.3667 0.6240 0.6240 1.1337 1.1337 1.3978 1.3978 1.5383 1.5383 1.8109 1.8109 2.0823 2.0823 2.2749 2.2749 2.4327 2.4327 4.1940 4.1940 4.6163 4.6163 5.6146 5.6146 6.0032 6.0032 k = 0.0714-0.0103-0.0073 ( 5923 PWs) bands (ev): -11.0059 -11.0059 -10.0374 -10.0374 -9.1150 -9.1150 -8.9975 -8.9975 -7.5778 -7.5778 -5.1549 -5.1549 -1.5921 -1.5921 -1.5505 -1.5505 -0.6653 -0.6653 -0.1999 -0.1999 0.3692 0.3692 0.6534 0.6534 1.1393 1.1393 1.4005 1.4005 1.5128 1.5128 1.8210 1.8210 2.0957 2.0957 2.2699 2.2699 2.4239 2.4239 4.2017 4.2017 4.5977 4.5977 5.6136 5.6136 5.9986 5.9986 k = 0.0571-0.0082-0.0058 ( 5931 PWs) bands (ev): -11.0089 -11.0089 -10.0387 -10.0387 -9.1156 -9.1156 -8.9988 -8.9988 -7.5798 -7.5798 -5.1513 -5.1513 -1.5895 -1.5895 -1.5549 -1.5549 -0.6354 -0.6354 -0.1911 -0.1911 0.3705 0.3705 0.6801 0.6801 1.1436 1.1436 1.4012 1.4012 1.4897 1.4897 1.8304 1.8304 2.1079 2.1079 2.2652 2.2652 2.4163 2.4163 4.2091 4.2091 4.5817 4.5817 5.6126 5.6126 5.9945 5.9945 k = 0.0429-0.0062-0.0044 ( 5929 PWs) bands (ev): -11.0113 -11.0113 -10.0397 -10.0397 -9.1161 -9.1161 -8.9999 -8.9999 -7.5813 -7.5813 -5.1484 -5.1484 -1.5870 -1.5870 -1.5588 -1.5588 -0.6106 -0.6106 -0.1846 -0.1846 0.3711 0.3711 0.7026 0.7026 1.1467 1.1467 1.4000 1.4000 1.4710 1.4710 1.8385 1.8385 2.1183 2.1183 2.2611 2.2611 2.4099 2.4099 4.2157 4.2157 4.5687 4.5687 5.6118 5.6118 5.9910 5.9910 k = 0.0286-0.0041-0.0029 ( 5932 PWs) bands (ev): -11.0130 -11.0130 -10.0405 -10.0405 -9.1165 -9.1165 -9.0006 -9.0006 -7.5825 -7.5825 -5.1463 -5.1463 -1.5847 -1.5847 -1.5622 -1.5622 -0.5921 -0.5921 -0.1802 -0.1802 0.3713 0.3713 0.7198 0.7198 1.1487 1.1487 1.3976 1.3976 1.4579 1.4579 1.8447 1.8447 2.1262 2.1262 2.2578 2.2578 2.4051 2.4051 4.2209 4.2209 4.5591 4.5591 5.6111 5.6111 5.9883 5.9883 k = 0.0143-0.0021-0.0015 ( 5932 PWs) bands (ev): -11.0140 -11.0140 -10.0409 -10.0409 -9.1167 -9.1167 -9.0011 -9.0011 -7.5831 -7.5831 -5.1451 -5.1451 -1.5828 -1.5828 -1.5647 -1.5647 -0.5805 -0.5805 -0.1777 -0.1777 0.3714 0.3714 0.7305 0.7305 1.1499 1.1499 1.3951 1.3951 1.4505 1.4505 1.8486 1.8486 2.1312 2.1312 2.2558 2.2558 2.4021 2.4021 4.2243 4.2243 4.5532 4.5532 5.6107 5.6107 5.9867 5.9867 k = 0.0000 0.0000 0.0000 ( 5929 PWs) bands (ev): -11.0143 -11.0143 -10.0410 -10.0410 -9.1167 -9.1167 -9.0012 -9.0012 -7.5834 -7.5834 -5.1447 -5.1447 -1.5821 -1.5821 -1.5656 -1.5656 -0.5766 -0.5766 -0.1769 -0.1769 0.3714 0.3714 0.7342 0.7342 1.1502 1.1502 1.3940 1.3940 1.4482 1.4482 1.8499 1.8499 2.1328 2.1328 2.2551 2.2551 2.4011 2.4011 4.2254 4.2254 4.5512 4.5512 5.6106 5.6106 5.9861 5.9861 k = 0.0000 0.0000 0.0000 ( 5929 PWs) bands (ev): -11.0143 -11.0143 -10.0410 -10.0410 -9.1167 -9.1167 -9.0012 -9.0012 -7.5834 -7.5834 -5.1447 -5.1447 -1.5821 -1.5821 -1.5656 -1.5656 -0.5766 -0.5766 -0.1769 -0.1769 0.3714 0.3714 0.7342 0.7342 1.1502 1.1502 1.3940 1.3940 1.4482 1.4482 1.8499 1.8499 2.1328 2.1328 2.2551 2.2551 2.4011 2.4011 4.2254 4.2254 4.5512 4.5512 5.6106 5.6106 5.9861 5.9861 k = 0.0000 0.0142-0.0022 ( 5932 PWs) bands (ev): -11.0140 -11.0140 -10.0415 -10.0415 -9.1173 -9.1173 -9.0011 -9.0011 -7.5827 -7.5827 -5.1449 -5.1449 -1.5897 -1.5897 -1.5566 -1.5566 -0.5775 -0.5775 -0.1762 -0.1762 0.3718 0.3718 0.7342 0.7342 1.1501 1.1501 1.3944 1.3944 1.4482 1.4482 1.8479 1.8479 2.1318 2.1318 2.2504 2.2504 2.4062 2.4062 4.2255 4.2255 4.5511 4.5511 5.6103 5.6103 5.9860 5.9860 k = 0.0000 0.0284-0.0045 ( 5936 PWs) bands (ev): -11.0128 -11.0128 -10.0430 -10.0430 -9.1189 -9.1189 -9.0007 -9.0007 -7.5806 -7.5806 -5.1456 -5.1456 -1.6007 -1.6007 -1.5412 -1.5412 -0.5803 -0.5803 -0.1742 -0.1742 0.3731 0.3731 0.7343 0.7343 1.1497 1.1497 1.3950 1.3950 1.4482 1.4482 1.8420 1.8420 2.1287 2.1287 2.2387 2.2387 2.4194 2.4194 4.2260 4.2260 4.5506 4.5506 5.6094 5.6094 5.9856 5.9856 k = 0.0000 0.0426-0.0067 ( 5937 PWs) bands (ev): -11.0110 -11.0110 -10.0455 -10.0455 -9.1215 -9.1215 -9.0002 -9.0002 -7.5772 -7.5772 -5.1468 -5.1468 -1.6105 -1.6105 -1.5243 -1.5243 -0.5846 -0.5846 -0.1712 -0.1712 0.3753 0.3753 0.7345 0.7345 1.1489 1.1489 1.3951 1.3951 1.4492 1.4492 1.8324 1.8324 2.1234 2.1234 2.2243 2.2243 2.4364 2.4364 4.2267 4.2267 4.5498 4.5498 5.6079 5.6079 5.9850 5.9850 k = 0.0000 0.0567-0.0089 ( 5938 PWs) bands (ev): -11.0084 -11.0084 -10.0489 -10.0489 -9.1249 -9.1249 -8.9995 -8.9995 -7.5726 -7.5726 -5.1485 -5.1485 -1.6186 -1.6186 -1.5064 -1.5064 -0.5902 -0.5902 -0.1675 -0.1675 0.3785 0.3785 0.7348 0.7348 1.1480 1.1480 1.3933 1.3933 1.4519 1.4519 1.8196 1.8196 2.1158 2.1158 2.2103 2.2103 2.4541 2.4541 4.2279 4.2279 4.5489 4.5489 5.6058 5.6058 5.9841 5.9841 k = 0.0000 0.0709-0.0112 ( 5938 PWs) bands (ev): -11.0052 -11.0052 -10.0532 -10.0532 -9.1291 -9.1291 -8.9987 -8.9987 -7.5668 -7.5668 -5.1506 -5.1506 -1.6246 -1.6246 -1.4880 -1.4880 -0.5967 -0.5967 -0.1636 -0.1636 0.3828 0.3828 0.7352 0.7352 1.1467 1.1467 1.3886 1.3886 1.4572 1.4572 1.8044 1.8044 2.1063 2.1063 2.1980 2.1980 2.4706 2.4706 4.2294 4.2294 4.5480 4.5480 5.6032 5.6032 5.9829 5.9829 k = 0.0000 0.0851-0.0134 ( 5938 PWs) bands (ev): -11.0013 -11.0013 -10.0584 -10.0584 -9.1339 -9.1339 -8.9979 -8.9979 -7.5599 -7.5599 -5.1531 -5.1531 -1.6286 -1.6286 -1.4695 -1.4695 -0.6037 -0.6037 -0.1600 -0.1600 0.3882 0.3882 0.7356 0.7356 1.1452 1.1452 1.3806 1.3806 1.4651 1.4651 1.7878 1.7878 2.0956 2.0956 2.1874 2.1874 2.4848 2.4848 4.2314 4.2314 4.5472 4.5472 5.6001 5.6001 5.9813 5.9813 k = 0.0000 0.0993-0.0156 ( 5943 PWs) bands (ev): -10.9968 -10.9968 -10.0644 -10.0644 -9.1390 -9.1390 -8.9971 -8.9971 -7.5522 -7.5522 -5.1559 -5.1559 -1.6304 -1.6304 -1.4512 -1.4512 -0.6108 -0.6108 -0.1572 -0.1572 0.3949 0.3949 0.7362 0.7362 1.1432 1.1432 1.3696 1.3696 1.4747 1.4747 1.7712 1.7712 2.0842 2.0842 2.1779 2.1779 2.4964 2.4964 4.2338 4.2338 4.5465 4.5465 5.5965 5.5965 5.9795 5.9795 k = 0.0000 0.1135-0.0179 ( 5943 PWs) bands (ev): -10.9918 -10.9918 -10.0711 -10.0711 -9.1445 -9.1445 -8.9965 -8.9965 -7.5437 -7.5437 -5.1590 -5.1590 -1.6300 -1.6300 -1.4333 -1.4333 -0.6177 -0.6177 -0.1555 -0.1555 0.4030 0.4030 0.7369 0.7369 1.1406 1.1406 1.3560 1.3560 1.4854 1.4854 1.7558 1.7558 2.0727 2.0727 2.1685 2.1685 2.5053 2.5053 4.2368 4.2368 4.5461 4.5461 5.5925 5.5925 5.9773 5.9773 k = 0.0000 0.1277-0.0201 ( 5938 PWs) bands (ev): -10.9863 -10.9863 -10.0784 -10.0784 -9.1500 -9.1500 -8.9960 -8.9960 -7.5347 -7.5347 -5.1624 -5.1624 -1.6275 -1.6275 -1.4164 -1.4164 -0.6240 -0.6240 -0.1553 -0.1553 0.4125 0.4125 0.7377 0.7377 1.1373 1.1373 1.3406 1.3406 1.4961 1.4961 1.7430 1.7430 2.0612 2.0612 2.1588 2.1588 2.5116 2.5116 4.2403 4.2403 4.5459 4.5459 5.5881 5.5881 5.9748 5.9748 k = 0.0000 0.1419-0.0223 ( 5938 PWs) bands (ev): -10.9805 -10.9805 -10.0863 -10.0863 -9.1556 -9.1556 -8.9956 -8.9956 -7.5253 -7.5253 -5.1660 -5.1660 -1.6228 -1.6228 -1.4005 -1.4005 -0.6296 -0.6296 -0.1568 -0.1568 0.4235 0.4235 0.7385 0.7385 1.1329 1.1329 1.3241 1.3241 1.5061 1.5061 1.7337 1.7337 2.0497 2.0497 2.1481 2.1481 2.5160 2.5160 4.2442 4.2442 4.5459 4.5459 5.5833 5.5833 5.9720 5.9720 k = 0.0000 0.1560-0.0246 ( 5939 PWs) bands (ev): -10.9743 -10.9743 -10.0945 -10.0945 -9.1610 -9.1610 -8.9953 -8.9953 -7.5156 -7.5156 -5.1697 -5.1697 -1.6163 -1.6163 -1.3861 -1.3861 -0.6343 -0.6343 -0.1602 -0.1602 0.4360 0.4360 0.7393 0.7393 1.1271 1.1271 1.3075 1.3075 1.5149 1.5149 1.7286 1.7286 2.0378 2.0378 2.1364 2.1364 2.5187 2.5187 4.2487 4.2487 4.5458 4.5458 5.5783 5.5783 5.9690 5.9690 k = 0.0000 0.1702-0.0268 ( 5947 PWs) bands (ev): -10.9680 -10.9680 -10.1029 -10.1029 -9.1662 -9.1662 -8.9952 -8.9952 -7.5060 -7.5060 -5.1735 -5.1735 -1.6078 -1.6078 -1.3734 -1.3734 -0.6380 -0.6380 -0.1654 -0.1654 0.4499 0.4499 0.7401 0.7401 1.1198 1.1198 1.2914 1.2914 1.5222 1.5222 1.7277 1.7277 2.0253 2.0253 2.1237 2.1237 2.5206 2.5206 4.2535 4.2535 4.5455 4.5455 5.5732 5.5732 5.9657 5.9657 k = 0.0000 0.1844-0.0290 ( 5948 PWs) bands (ev): -10.9617 -10.9617 -10.1115 -10.1115 -9.1712 -9.1712 -8.9952 -8.9952 -7.4965 -7.4965 -5.1773 -5.1773 -1.5978 -1.5978 -1.3626 -1.3626 -0.6406 -0.6406 -0.1723 -0.1723 0.4649 0.4649 0.7408 0.7408 1.1110 1.1110 1.2765 1.2765 1.5282 1.5282 1.7303 1.7303 2.0118 2.0118 2.1105 2.1105 2.5219 2.5219 4.2587 4.2587 4.5450 4.5450 5.5680 5.5680 5.9622 5.9622 k = 0.0000 0.1986-0.0313 ( 5945 PWs) bands (ev): -10.9553 -10.9553 -10.1200 -10.1200 -9.1758 -9.1758 -8.9953 -8.9953 -7.4873 -7.4873 -5.1810 -5.1810 -1.5864 -1.5864 -1.3537 -1.3537 -0.6422 -0.6422 -0.1807 -0.1807 0.4810 0.4810 0.7412 0.7412 1.1011 1.1011 1.2630 1.2630 1.5337 1.5337 1.7353 1.7353 1.9970 1.9970 2.0974 2.0974 2.5232 2.5232 4.2641 4.2641 4.5440 4.5440 5.5630 5.5630 5.9587 5.9587 k = 0.0000 0.2128-0.0335 ( 5945 PWs) bands (ev): -10.9492 -10.9492 -10.1282 -10.1282 -9.1800 -9.1800 -8.9955 -8.9955 -7.4786 -7.4786 -5.1845 -5.1845 -1.5739 -1.5739 -1.3469 -1.3469 -0.6430 -0.6430 -0.1901 -0.1901 0.4978 0.4978 0.7413 0.7413 1.0907 1.0907 1.2505 1.2505 1.5393 1.5393 1.7413 1.7413 1.9810 1.9810 2.0852 2.0852 2.5245 2.5245 4.2697 4.2697 4.5426 4.5426 5.5581 5.5581 5.9552 5.9552 k = 0.0000 0.2270-0.0357 ( 5931 PWs) bands (ev): -10.9433 -10.9433 -10.1361 -10.1361 -9.1837 -9.1837 -8.9958 -8.9958 -7.4705 -7.4705 -5.1878 -5.1878 -1.5608 -1.5608 -1.3421 -1.3421 -0.6430 -0.6430 -0.2001 -0.2001 0.5149 0.5149 0.7410 0.7410 1.0806 1.0806 1.2388 1.2388 1.5459 1.5459 1.7467 1.7467 1.9643 1.9643 2.0743 2.0743 2.5262 2.5262 4.2753 4.2753 4.5406 4.5406 5.5535 5.5535 5.9518 5.9518 k = 0.0000 0.2412-0.0380 ( 5933 PWs) bands (ev): -10.9379 -10.9379 -10.1433 -10.1433 -9.1870 -9.1870 -8.9960 -8.9960 -7.4633 -7.4633 -5.1908 -5.1908 -1.5473 -1.5473 -1.3392 -1.3392 -0.6425 -0.6425 -0.2103 -0.2103 0.5318 0.5318 0.7401 0.7401 1.0718 1.0718 1.2275 1.2275 1.5542 1.5542 1.7497 1.7497 1.9482 1.9482 2.0650 2.0650 2.5280 2.5280 4.2807 4.2807 4.5383 4.5383 5.5494 5.5494 5.9486 5.9486 k = 0.0000 0.2554-0.0402 ( 5934 PWs) bands (ev): -10.9330 -10.9330 -10.1498 -10.1498 -9.1899 -9.1899 -8.9963 -8.9963 -7.4569 -7.4569 -5.1935 -5.1935 -1.5341 -1.5341 -1.3379 -1.3379 -0.6416 -0.6416 -0.2200 -0.2200 0.5480 0.5480 0.7387 0.7387 1.0647 1.0647 1.2164 1.2164 1.5643 1.5643 1.7489 1.7489 1.9340 1.9340 2.0573 2.0573 2.5300 2.5300 4.2857 4.2857 4.5356 4.5356 5.5458 5.5458 5.9458 5.9458 k = 0.0000 0.2695-0.0424 ( 5929 PWs) bands (ev): -10.9289 -10.9289 -10.1553 -10.1553 -9.1922 -9.1922 -8.9966 -8.9966 -7.4515 -7.4515 -5.1958 -5.1958 -1.5218 -1.5218 -1.3380 -1.3380 -0.6406 -0.6406 -0.2289 -0.2289 0.5629 0.5629 0.7367 0.7367 1.0597 1.0597 1.2058 1.2058 1.5764 1.5764 1.7433 1.7433 1.9231 1.9231 2.0512 2.0512 2.5319 2.5319 4.2903 4.2903 4.5329 4.5329 5.5427 5.5427 5.9432 5.9432 k = 0.0000 0.2837-0.0447 ( 5927 PWs) bands (ev): -10.9255 -10.9255 -10.1598 -10.1598 -9.1940 -9.1940 -8.9968 -8.9968 -7.4472 -7.4472 -5.1976 -5.1976 -1.5110 -1.5110 -1.3390 -1.3390 -0.6396 -0.6396 -0.2363 -0.2363 0.5757 0.5757 0.7345 0.7345 1.0568 1.0568 1.1960 1.1960 1.5899 1.5899 1.7334 1.7334 1.9159 1.9159 2.0465 2.0465 2.5336 2.5336 4.2941 4.2941 4.5304 4.5304 5.5403 5.5403 5.9412 5.9412 k = 0.0000 0.2979-0.0469 ( 5928 PWs) bands (ev): -10.9230 -10.9230 -10.1631 -10.1631 -9.1953 -9.1953 -8.9970 -8.9970 -7.4441 -7.4441 -5.1989 -5.1989 -1.5026 -1.5026 -1.3404 -1.3404 -0.6388 -0.6388 -0.2419 -0.2419 0.5857 0.5857 0.7323 0.7323 1.0555 1.0555 1.1879 1.1879 1.6037 1.6037 1.7209 1.7209 1.9118 1.9118 2.0432 2.0432 2.5350 2.5350 4.2969 4.2969 4.5284 4.5284 5.5385 5.5385 5.9397 5.9397 k = 0.0000 0.3121-0.0491 ( 5933 PWs) bands (ev): -10.9215 -10.9215 -10.1651 -10.1651 -9.1960 -9.1960 -8.9971 -8.9971 -7.4422 -7.4422 -5.1998 -5.1998 -1.4971 -1.4971 -1.3415 -1.3415 -0.6382 -0.6382 -0.2454 -0.2454 0.5921 0.5921 0.7307 0.7307 1.0551 1.0551 1.1826 1.1826 1.6151 1.6151 1.7097 1.7097 1.9099 1.9099 2.0413 2.0413 2.5359 2.5359 4.2987 4.2987 4.5271 4.5271 5.5375 5.5375 5.9388 5.9388 k = 0.0000 0.3263-0.0514 ( 5928 PWs) bands (ev): -10.9210 -10.9210 -10.1658 -10.1658 -9.1963 -9.1963 -8.9971 -8.9971 -7.4416 -7.4416 -5.2000 -5.2000 -1.4952 -1.4952 -1.3419 -1.3419 -0.6381 -0.6381 -0.2466 -0.2466 0.5943 0.5943 0.7301 0.7301 1.0551 1.0551 1.1807 1.1807 1.6199 1.6199 1.7049 1.7049 1.9093 1.9093 2.0406 2.0406 2.5362 2.5362 4.2994 4.2994 4.5266 4.5266 5.5371 5.5371 5.9385 5.9385 k = 0.5000 0.2542-0.1022 ( 5954 PWs) bands (ev): -10.8040 -10.8040 -10.0130 -10.0130 -9.0249 -9.0249 -8.9583 -8.9583 -7.5090 -7.5090 -5.3597 -5.3597 -1.9083 -1.9083 -1.5077 -1.5077 -1.4271 -1.4271 -0.6704 -0.6704 -0.0655 -0.0655 0.6163 0.6163 0.6610 0.6610 1.3601 1.3601 1.3878 1.3878 1.6005 1.6005 1.8179 1.8179 2.3526 2.3526 2.8533 2.8533 4.1377 4.1377 5.3079 5.3079 5.3293 5.3293 5.7244 5.7244 k = 0.4875 0.2479-0.0996 ( 5951 PWs) bands (ev): -10.8044 -10.8044 -10.0131 -10.0131 -9.0250 -9.0250 -8.9583 -8.9583 -7.5091 -7.5091 -5.3593 -5.3593 -1.9076 -1.9076 -1.5074 -1.5074 -1.4265 -1.4265 -0.6699 -0.6699 -0.0654 -0.0654 0.6084 0.6084 0.6702 0.6702 1.3597 1.3597 1.3880 1.3880 1.6012 1.6012 1.8184 1.8184 2.3528 2.3528 2.8522 2.8522 4.1379 4.1379 5.3041 5.3041 5.3322 5.3322 5.7246 5.7246 k = 0.4750 0.2415-0.0971 ( 5942 PWs) bands (ev): -10.8054 -10.8054 -10.0132 -10.0132 -9.0255 -9.0255 -8.9585 -8.9585 -7.5094 -7.5094 -5.3580 -5.3580 -1.9055 -1.9055 -1.5067 -1.5067 -1.4249 -1.4249 -0.6683 -0.6683 -0.0650 -0.0650 0.5932 0.5932 0.6894 0.6894 1.3587 1.3587 1.3887 1.3887 1.6032 1.6032 1.8199 1.8199 2.3536 2.3536 2.8490 2.8490 4.1387 4.1387 5.2953 5.2953 5.3380 5.3380 5.7254 5.7254 k = 0.4625 0.2352-0.0945 ( 5938 PWs) bands (ev): -10.8071 -10.8071 -10.0135 -10.0135 -9.0263 -9.0263 -8.9588 -8.9588 -7.5098 -7.5098 -5.3559 -5.3559 -1.9021 -1.9021 -1.5054 -1.5054 -1.4222 -1.4222 -0.6657 -0.6657 -0.0644 -0.0644 0.5770 0.5770 0.7120 0.7120 1.3572 1.3572 1.3896 1.3896 1.6065 1.6065 1.8223 1.8223 2.3549 2.3549 2.8436 2.8436 4.1400 4.1400 5.2838 5.2838 5.3446 5.3446 5.7268 5.7268 k = 0.4500 0.2288-0.0920 ( 5943 PWs) bands (ev): -10.8095 -10.8095 -10.0139 -10.0139 -9.0274 -9.0274 -8.9593 -8.9593 -7.5104 -7.5104 -5.3530 -5.3530 -1.8972 -1.8972 -1.5036 -1.5036 -1.4186 -1.4186 -0.6620 -0.6620 -0.0635 -0.0635 0.5616 0.5616 0.7364 0.7364 1.3555 1.3555 1.3904 1.3904 1.6113 1.6113 1.8256 1.8256 2.3566 2.3566 2.8360 2.8360 4.1418 4.1418 5.2700 5.2700 5.3516 5.3516 5.7293 5.7293 k = 0.4375 0.2225-0.0894 ( 5944 PWs) bands (ev): -10.8125 -10.8125 -10.0143 -10.0143 -9.0288 -9.0288 -8.9598 -8.9598 -7.5113 -7.5113 -5.3493 -5.3493 -1.8911 -1.8911 -1.5013 -1.5013 -1.4140 -1.4140 -0.6572 -0.6572 -0.0621 -0.0621 0.5473 0.5473 0.7619 0.7619 1.3539 1.3539 1.3912 1.3912 1.6175 1.6175 1.8298 1.8298 2.3588 2.3588 2.8263 2.8263 4.1440 4.1440 5.2542 5.2542 5.3590 5.3590 5.7329 5.7329 k = 0.4250 0.2161-0.0869 ( 5941 PWs) bands (ev): -10.8161 -10.8161 -10.0149 -10.0149 -9.0305 -9.0305 -8.9605 -8.9605 -7.5123 -7.5123 -5.3448 -5.3448 -1.8837 -1.8837 -1.4985 -1.4985 -1.4084 -1.4084 -0.6512 -0.6512 -0.0602 -0.0602 0.5343 0.5343 0.7881 0.7881 1.3526 1.3526 1.3918 1.3918 1.6251 1.6251 1.8349 1.8349 2.3615 2.3615 2.8143 2.8143 4.1465 4.1465 5.2363 5.2363 5.3668 5.3668 5.7381 5.7381 k = 0.4125 0.2097-0.0843 ( 5937 PWs) bands (ev): -10.8203 -10.8203 -10.0155 -10.0155 -9.0324 -9.0324 -8.9613 -8.9613 -7.5134 -7.5134 -5.3396 -5.3396 -1.8751 -1.8751 -1.4953 -1.4953 -1.4019 -1.4019 -0.6440 -0.6440 -0.0576 -0.0576 0.5226 0.5226 0.8146 0.8146 1.3515 1.3515 1.3924 1.3924 1.6342 1.6342 1.8408 1.8408 2.3645 2.3645 2.8002 2.8002 4.1494 4.1494 5.2163 5.2163 5.3751 5.3751 5.7450 5.7450 k = 0.4000 0.2034-0.0817 ( 5940 PWs) bands (ev): -10.8251 -10.8251 -10.0163 -10.0163 -9.0346 -9.0346 -8.9622 -8.9622 -7.5148 -7.5148 -5.3338 -5.3338 -1.8655 -1.8655 -1.4917 -1.4917 -1.3944 -1.3944 -0.6356 -0.6356 -0.0543 -0.0543 0.5122 0.5122 0.8413 0.8413 1.3505 1.3505 1.3934 1.3934 1.6448 1.6448 1.8473 1.8473 2.3679 2.3679 2.7839 2.7839 4.1524 4.1524 5.1945 5.1945 5.3840 5.3840 5.7537 5.7537 k = 0.3875 0.1970-0.0792 ( 5938 PWs) bands (ev): -10.8304 -10.8304 -10.0171 -10.0171 -9.0371 -9.0371 -8.9632 -8.9632 -7.5163 -7.5163 -5.3274 -5.3274 -1.8548 -1.8548 -1.4878 -1.4878 -1.3859 -1.3859 -0.6259 -0.6259 -0.0500 -0.0500 0.5030 0.5030 0.8679 0.8679 1.3495 1.3495 1.3952 1.3952 1.6567 1.6567 1.8545 1.8545 2.3716 2.3716 2.7655 2.7655 4.1555 4.1555 5.1709 5.1709 5.3934 5.3934 5.7644 5.7644 k = 0.3750 0.1907-0.0766 ( 5937 PWs) bands (ev): -10.8362 -10.8362 -10.0180 -10.0180 -9.0397 -9.0397 -8.9643 -8.9643 -7.5180 -7.5180 -5.3205 -5.3205 -1.8432 -1.8432 -1.4838 -1.4838 -1.3763 -1.3763 -0.6148 -0.6148 -0.0447 -0.0447 0.4949 0.4949 0.8939 0.8939 1.3483 1.3483 1.3982 1.3982 1.6701 1.6701 1.8623 1.8623 2.3755 2.3755 2.7449 2.7449 4.1587 4.1587 5.1458 5.1458 5.4035 5.4035 5.7770 5.7770 k = 0.3625 0.1843-0.0741 ( 5931 PWs) bands (ev): -10.8425 -10.8425 -10.0189 -10.0189 -9.0426 -9.0426 -8.9655 -8.9655 -7.5198 -7.5198 -5.3131 -5.3131 -1.8308 -1.8308 -1.4799 -1.4799 -1.3653 -1.3653 -0.6024 -0.6024 -0.0381 -0.0381 0.4879 0.4879 0.9193 0.9193 1.3468 1.3468 1.4029 1.4029 1.6848 1.6848 1.8707 1.8707 2.3795 2.3795 2.7224 2.7224 4.1619 4.1619 5.1192 5.1192 5.4142 5.4142 5.7914 5.7914 k = 0.3500 0.1780-0.0715 ( 5933 PWs) bands (ev): -10.8492 -10.8492 -10.0199 -10.0199 -9.0456 -9.0456 -8.9668 -8.9668 -7.5218 -7.5218 -5.3054 -5.3054 -1.8178 -1.8178 -1.4763 -1.4763 -1.3529 -1.3529 -0.5885 -0.5885 -0.0302 -0.0302 0.4818 0.4818 0.9436 0.9436 1.3449 1.3449 1.4095 1.4095 1.7007 1.7007 1.8794 1.8794 2.3836 2.3836 2.6979 2.6979 4.1649 4.1649 5.0915 5.0915 5.4253 5.4253 5.8075 5.8075 k = 0.3375 0.1716-0.0690 ( 5933 PWs) bands (ev): -10.8562 -10.8562 -10.0210 -10.0210 -9.0488 -9.0488 -8.9682 -8.9682 -7.5240 -7.5240 -5.2973 -5.2973 -1.8044 -1.8044 -1.4732 -1.4732 -1.3387 -1.3387 -0.5733 -0.5733 -0.0209 -0.0209 0.4765 0.4765 0.9667 0.9667 1.3427 1.3427 1.4182 1.4182 1.7176 1.7176 1.8886 1.8886 2.3875 2.3875 2.6716 2.6716 4.1679 4.1679 5.0628 5.0628 5.4370 5.4370 5.8250 5.8250 k = 0.3250 0.1653-0.0664 ( 5933 PWs) bands (ev): -10.8636 -10.8636 -10.0220 -10.0220 -9.0522 -9.0522 -8.9696 -8.9696 -7.5263 -7.5263 -5.2890 -5.2890 -1.7906 -1.7906 -1.4708 -1.4708 -1.3226 -1.3226 -0.5568 -0.5568 -0.0100 -0.0100 0.4719 0.4719 0.9884 0.9884 1.3404 1.3404 1.4289 1.4289 1.7356 1.7356 1.8981 1.8981 2.3910 2.3910 2.6437 2.6437 4.1706 4.1706 5.0335 5.0335 5.4490 5.4490 5.8437 5.8437 k = 0.3125 0.1589-0.0639 ( 5925 PWs) bands (ev): -10.8713 -10.8713 -10.0231 -10.0231 -9.0556 -9.0556 -8.9711 -8.9711 -7.5287 -7.5287 -5.2804 -5.2804 -1.7767 -1.7767 -1.4692 -1.4692 -1.3044 -1.3044 -0.5389 -0.5389 0.0025 0.0025 0.4679 0.4679 1.0085 1.0085 1.3383 1.3383 1.4416 1.4416 1.7542 1.7542 1.9079 1.9079 2.3938 2.3938 2.6148 2.6148 4.1732 4.1732 5.0036 5.0036 5.4614 5.4614 5.8631 5.8631 k = 0.3000 0.1525-0.0613 ( 5930 PWs) bands (ev): -10.8792 -10.8792 -10.0242 -10.0242 -9.0591 -9.0591 -8.9727 -8.9727 -7.5313 -7.5313 -5.2718 -5.2718 -1.7628 -1.7628 -1.4685 -1.4685 -1.2841 -1.2841 -0.5198 -0.5198 0.0169 0.0169 0.4643 0.4643 1.0269 1.0269 1.3366 1.3366 1.4560 1.4560 1.7733 1.7733 1.9181 1.9181 2.3954 2.3954 2.5852 2.5852 4.1755 4.1755 4.9735 4.9735 5.4739 5.4739 5.8830 5.8830 k = 0.2875 0.1462-0.0588 ( 5926 PWs) bands (ev): -10.8872 -10.8872 -10.0254 -10.0254 -9.0627 -9.0627 -8.9743 -8.9743 -7.5339 -7.5339 -5.2631 -5.2631 -1.7490 -1.7490 -1.4688 -1.4688 -1.2615 -1.2615 -0.4997 -0.4997 0.0330 0.0330 0.4610 0.4610 1.0437 1.0437 1.3356 1.3356 1.4720 1.4720 1.7925 1.7925 1.9285 1.9285 2.3948 2.3948 2.5562 2.5562 4.1776 4.1776 4.9434 4.9434 5.4865 5.4865 5.9029 5.9029 k = 0.2750 0.1398-0.0562 ( 5927 PWs) bands (ev): -10.8954 -10.8954 -10.0265 -10.0265 -9.0663 -9.0663 -8.9759 -8.9759 -7.5367 -7.5367 -5.2545 -5.2545 -1.7355 -1.7355 -1.4699 -1.4699 -1.2366 -1.2366 -0.4786 -0.4786 0.0511 0.0511 0.4581 0.4581 1.0587 1.0587 1.3354 1.3354 1.4892 1.4892 1.8115 1.8115 1.9393 1.9393 2.3905 2.3905 2.5293 2.5293 4.1795 4.1795 4.9135 4.9135 5.4991 5.4991 5.9224 5.9224 k = 0.2625 0.1335-0.0536 ( 5935 PWs) bands (ev): -10.9036 -10.9036 -10.0276 -10.0276 -9.0699 -9.0699 -8.9776 -8.9776 -7.5395 -7.5395 -5.2459 -5.2459 -1.7224 -1.7224 -1.4720 -1.4720 -1.2095 -1.2095 -0.4567 -0.4567 0.0712 0.0712 0.4553 0.4553 1.0721 1.0721 1.3362 1.3362 1.5074 1.5074 1.8296 1.8296 1.9506 1.9506 2.3805 2.3805 2.5070 2.5070 4.1813 4.1813 4.8841 4.8841 5.5114 5.5114 5.9410 5.9410 k = 0.2500 0.1271-0.0511 ( 5937 PWs) bands (ev): -10.9119 -10.9119 -10.0287 -10.0287 -9.0735 -9.0735 -8.9793 -8.9793 -7.5424 -7.5424 -5.2374 -5.2374 -1.7098 -1.7098 -1.4748 -1.4748 -1.1802 -1.1802 -0.4344 -0.4344 0.0933 0.0933 0.4527 0.4527 1.0838 1.0838 1.3382 1.3382 1.5263 1.5263 1.8464 1.8464 1.9624 1.9624 2.3630 2.3630 2.4911 2.4911 4.1830 4.1830 4.8553 4.8553 5.5234 5.5234 5.9584 5.9584 k = 0.2375 0.1208-0.0485 ( 5941 PWs) bands (ev): -10.9201 -10.9201 -10.0298 -10.0298 -9.0771 -9.0771 -8.9810 -8.9810 -7.5454 -7.5454 -5.2292 -5.2292 -1.6978 -1.6978 -1.4783 -1.4783 -1.1489 -1.1489 -0.4118 -0.4118 0.1174 0.1174 0.4503 0.4503 1.0939 1.0939 1.3413 1.3413 1.5456 1.5456 1.8609 1.8609 1.9750 1.9750 2.3386 2.3386 2.4817 2.4817 4.1847 4.1847 4.8272 4.8272 5.5349 5.5349 5.9742 5.9742 k = 0.2250 0.1144-0.0460 ( 5942 PWs) bands (ev): -10.9283 -10.9283 -10.0308 -10.0308 -9.0806 -9.0806 -8.9827 -8.9827 -7.5483 -7.5483 -5.2211 -5.2211 -1.6865 -1.6865 -1.4825 -1.4825 -1.1158 -1.1158 -0.3892 -0.3892 0.1435 0.1435 0.4480 0.4480 1.1026 1.1026 1.3457 1.3457 1.5648 1.5648 1.8726 1.8726 1.9883 1.9883 2.3099 2.3099 2.4768 2.4768 4.1863 4.1863 4.8001 4.8001 5.5459 5.5459 5.9879 5.9879 k = 0.2125 0.1080-0.0434 ( 5941 PWs) bands (ev): -10.9363 -10.9363 -10.0318 -10.0318 -9.0841 -9.0841 -8.9843 -8.9843 -7.5513 -7.5513 -5.2134 -5.2134 -1.6758 -1.6758 -1.4871 -1.4871 -1.0809 -1.0809 -0.3669 -0.3669 0.1715 0.1715 0.4459 0.4459 1.1098 1.1098 1.3512 1.3512 1.5835 1.5835 1.8805 1.8805 2.0025 2.0025 2.2796 2.2796 2.4744 2.4744 4.1880 4.1880 4.7741 4.7741 5.5561 5.5561 5.9995 5.9995 k = 0.2000 0.1017-0.0409 ( 5945 PWs) bands (ev): -10.9441 -10.9441 -10.0328 -10.0328 -9.0874 -9.0874 -8.9860 -8.9860 -7.5543 -7.5543 -5.2059 -5.2059 -1.6659 -1.6659 -1.4921 -1.4921 -1.0446 -1.0446 -0.3452 -0.3452 0.2014 0.2014 0.4441 0.4441 1.1158 1.1158 1.3576 1.3576 1.6013 1.6013 1.8840 1.8840 2.0174 2.0174 2.2504 2.2504 2.4731 2.4731 4.1899 4.1899 4.7493 4.7493 5.5656 5.5656 6.0087 6.0087 k = 0.1875 0.0953-0.0383 ( 5941 PWs) bands (ev): -10.9517 -10.9517 -10.0338 -10.0338 -9.0907 -9.0907 -8.9876 -8.9876 -7.5572 -7.5572 -5.1988 -5.1988 -1.6566 -1.6566 -1.4974 -1.4974 -1.0071 -1.0071 -0.3242 -0.3242 0.2327 0.2327 0.4429 0.4429 1.1207 1.1207 1.3648 1.3648 1.6175 1.6175 1.8827 1.8827 2.0326 2.0326 2.2240 2.2240 2.4720 2.4720 4.1919 4.1919 4.7258 4.7258 5.5742 5.5742 6.0154 6.0154 k = 0.1750 0.0890-0.0358 ( 5941 PWs) bands (ev): -10.9591 -10.9591 -10.0347 -10.0347 -9.0938 -9.0938 -8.9892 -8.9892 -7.5601 -7.5601 -5.1920 -5.1920 -1.6480 -1.6480 -1.5029 -1.5029 -0.9687 -0.9687 -0.3043 -0.3043 0.2649 0.2649 0.4427 0.4427 1.1246 1.1246 1.3724 1.3724 1.6314 1.6314 1.8765 1.8765 2.0478 2.0478 2.2024 2.2024 2.4707 2.4707 4.1941 4.1941 4.7036 4.7036 5.5818 5.5818 6.0198 6.0198 k = 0.1625 0.0826-0.0332 ( 5941 PWs) bands (ev): -10.9661 -10.9661 -10.0355 -10.0355 -9.0968 -9.0968 -8.9907 -8.9907 -7.5629 -7.5629 -5.1857 -5.1857 -1.6401 -1.6401 -1.5086 -1.5086 -0.9296 -0.9296 -0.2857 -0.2857 0.2969 0.2969 0.4443 0.4443 1.1279 1.1279 1.3802 1.3802 1.6417 1.6417 1.8662 1.8662 2.0624 2.0624 2.1864 2.1864 2.4687 2.4687 4.1965 4.1965 4.6828 4.6828 5.5884 5.5884 6.0220 6.0220 k = 0.1500 0.0763-0.0307 ( 5934 PWs) bands (ev): -10.9727 -10.9727 -10.0363 -10.0363 -9.0996 -9.0996 -8.9921 -8.9921 -7.5656 -7.5656 -5.1797 -5.1797 -1.6328 -1.6328 -1.5142 -1.5142 -0.8903 -0.8903 -0.2684 -0.2684 0.3269 0.3269 0.4495 0.4495 1.1305 1.1305 1.3878 1.3878 1.6469 1.6469 1.8537 1.8537 2.0759 2.0759 2.1767 2.1767 2.4659 2.4659 4.1990 4.1990 4.6635 4.6635 5.5940 5.5940 6.0222 6.0222 k = 0.1375 0.0699-0.0281 ( 5930 PWs) bands (ev): -10.9790 -10.9790 -10.0370 -10.0370 -9.1022 -9.1022 -8.9934 -8.9934 -7.5682 -7.5682 -5.1742 -5.1742 -1.6261 -1.6261 -1.5199 -1.5199 -0.8512 -0.8512 -0.2526 -0.2526 0.3516 0.3516 0.4610 0.4610 1.1328 1.1328 1.3949 1.3949 1.6451 1.6451 1.8419 1.8419 2.0879 2.0879 2.1729 2.1729 2.4623 2.4623 4.2018 4.2018 4.6457 4.6457 5.5987 5.5987 6.0208 6.0208 k = 0.1250 0.0636-0.0255 ( 5932 PWs) bands (ev): -10.9849 -10.9849 -10.0377 -10.0377 -9.1046 -9.1046 -8.9947 -8.9947 -7.5706 -7.5706 -5.1691 -5.1691 -1.6200 -1.6200 -1.5254 -1.5254 -0.8126 -0.8126 -0.2383 -0.2383 0.3681 0.3681 0.4813 0.4813 1.1347 1.1347 1.4012 1.4012 1.6351 1.6351 1.8334 1.8334 2.0980 2.0980 2.1743 2.1743 2.4577 2.4577 4.2047 4.2047 4.6294 4.6294 5.6024 5.6024 6.0180 6.0180 k = 0.1125 0.0572-0.0230 ( 5928 PWs) bands (ev): -10.9903 -10.9903 -10.0383 -10.0383 -9.1069 -9.1069 -8.9959 -8.9959 -7.5729 -7.5729 -5.1645 -5.1645 -1.6144 -1.6144 -1.5309 -1.5309 -0.7750 -0.7750 -0.2257 -0.2257 0.3767 0.3767 0.5098 0.5098 1.1365 1.1365 1.4065 1.4065 1.6171 1.6171 1.8293 1.8293 2.1061 2.1061 2.1801 2.1801 2.4522 2.4522 4.2077 4.2077 4.6146 4.6146 5.6053 5.6053 6.0144 6.0144 k = 0.1000 0.0508-0.0204 ( 5930 PWs) bands (ev): -10.9952 -10.9952 -10.0389 -10.0389 -9.1089 -9.1089 -8.9970 -8.9970 -7.5750 -7.5750 -5.1604 -5.1604 -1.6092 -1.6092 -1.5361 -1.5361 -0.7390 -0.7390 -0.2146 -0.2146 0.3800 0.3800 0.5431 0.5431 1.1383 1.1383 1.4105 1.4105 1.5930 1.5930 1.8292 1.8292 2.1126 2.1126 2.1887 2.1887 2.4459 2.4459 4.2107 4.2107 4.6014 4.6014 5.6074 5.6074 6.0102 6.0102 k = 0.0875 0.0445-0.0179 ( 5926 PWs) bands (ev): -10.9996 -10.9996 -10.0394 -10.0394 -9.1107 -9.1107 -8.9979 -8.9979 -7.5769 -7.5769 -5.1567 -5.1567 -1.6044 -1.6044 -1.5412 -1.5412 -0.7051 -0.7051 -0.2051 -0.2051 0.3805 0.3805 0.5781 0.5781 1.1401 1.1401 1.4130 1.4130 1.5655 1.5655 1.8315 1.8315 2.1178 2.1178 2.1992 2.1992 2.4390 2.4390 4.2136 4.2136 4.5897 4.5897 5.6089 5.6089 6.0057 6.0057 k = 0.0750 0.0381-0.0153 ( 5931 PWs) bands (ev): -11.0034 -11.0034 -10.0398 -10.0398 -9.1123 -9.1123 -8.9988 -8.9988 -7.5785 -7.5785 -5.1535 -5.1535 -1.5999 -1.5999 -1.5460 -1.5460 -0.6739 -0.6739 -0.1972 -0.1972 0.3795 0.3795 0.6128 0.6128 1.1419 1.1419 1.4139 1.4139 1.5373 1.5373 1.8351 1.8351 2.1220 2.1220 2.2104 2.2104 2.4317 2.4317 4.2164 4.2164 4.5795 4.5795 5.6098 5.6098 6.0012 6.0012 k = 0.0625 0.0318-0.0128 ( 5930 PWs) bands (ev): -11.0067 -11.0067 -10.0402 -10.0402 -9.1136 -9.1136 -8.9995 -8.9995 -7.5800 -7.5800 -5.1508 -5.1508 -1.5958 -1.5958 -1.5506 -1.5506 -0.6460 -0.6460 -0.1906 -0.1906 0.3779 0.3779 0.6456 0.6456 1.1438 1.1438 1.4131 1.4131 1.5104 1.5104 1.8390 1.8390 2.1254 2.1254 2.2216 2.2216 2.4243 2.4243 4.2189 4.2189 4.5709 4.5709 5.6103 5.6103 5.9970 5.9970 k = 0.0500 0.0254-0.0102 ( 5928 PWs) bands (ev): -11.0094 -11.0094 -10.0405 -10.0405 -9.1147 -9.1147 -9.0001 -9.0001 -7.5812 -7.5812 -5.1486 -5.1486 -1.5919 -1.5919 -1.5549 -1.5549 -0.6220 -0.6220 -0.1855 -0.1855 0.3760 0.3760 0.6749 0.6749 1.1457 1.1457 1.4105 1.4105 1.4871 1.4871 1.8427 1.8427 2.1282 2.1282 2.2322 2.2322 2.4172 2.4172 4.2211 4.2211 4.5638 4.5638 5.6106 5.6106 5.9933 5.9933 k = 0.0375 0.0191-0.0077 ( 5930 PWs) bands (ev): -11.0116 -11.0116 -10.0407 -10.0407 -9.1156 -9.1156 -9.0006 -9.0006 -7.5821 -7.5821 -5.1469 -5.1469 -1.5884 -1.5884 -1.5588 -1.5588 -0.6026 -0.6026 -0.1816 -0.1816 0.3742 0.3742 0.6996 0.6996 1.1475 1.1475 1.4061 1.4061 1.4689 1.4689 1.8458 1.8458 2.1302 2.1302 2.2415 2.2415 2.4109 2.4109 4.2230 4.2230 4.5583 4.5583 5.6107 5.6107 5.9903 5.9903 k = 0.0250 0.0127-0.0051 ( 5930 PWs) bands (ev): -11.0131 -11.0131 -10.0409 -10.0409 -9.1162 -9.1162 -9.0010 -9.0010 -7.5828 -7.5828 -5.1456 -5.1456 -1.5853 -1.5853 -1.5622 -1.5622 -0.5883 -0.5883 -0.1790 -0.1790 0.3727 0.3727 0.7184 0.7184 1.1489 1.1489 1.4006 1.4006 1.4568 1.4568 1.8480 1.8480 2.1317 2.1317 2.2487 2.2487 2.4057 2.4057 4.2243 4.2243 4.5544 4.5544 5.6106 5.6106 5.9880 5.9880 k = 0.0125 0.0064-0.0026 ( 5933 PWs) bands (ev): -11.0140 -11.0140 -10.0410 -10.0410 -9.1166 -9.1166 -9.0012 -9.0012 -7.5832 -7.5832 -5.1449 -5.1449 -1.5830 -1.5830 -1.5646 -1.5646 -0.5796 -0.5796 -0.1774 -0.1774 0.3717 0.3717 0.7302 0.7302 1.1499 1.1499 1.3959 1.3959 1.4502 1.4502 1.8495 1.8495 2.1326 2.1326 2.2534 2.2534 2.4023 2.4023 4.2251 4.2251 4.5520 4.5520 5.6106 5.6106 5.9866 5.9866 k = 0.0000 0.0000 0.0000 ( 5929 PWs) bands (ev): -11.0143 -11.0143 -10.0410 -10.0410 -9.1167 -9.1167 -9.0012 -9.0012 -7.5834 -7.5834 -5.1447 -5.1447 -1.5821 -1.5821 -1.5656 -1.5656 -0.5766 -0.5766 -0.1769 -0.1769 0.3714 0.3714 0.7342 0.7342 1.1502 1.1502 1.3940 1.3940 1.4482 1.4482 1.8499 1.8499 2.1328 2.1328 2.2551 2.2551 2.4011 2.4011 4.2254 4.2254 4.5512 4.5512 5.6106 5.6106 5.9861 5.9861 k = 0.0000 0.0000 0.0000 ( 5929 PWs) bands (ev): -11.0143 -11.0143 -10.0410 -10.0410 -9.1167 -9.1167 -9.0012 -9.0012 -7.5834 -7.5834 -5.1447 -5.1447 -1.5821 -1.5821 -1.5656 -1.5656 -0.5766 -0.5766 -0.1769 -0.1769 0.3714 0.3714 0.7342 0.7342 1.1502 1.1502 1.3940 1.3940 1.4482 1.4482 1.8499 1.8499 2.1328 2.1328 2.2551 2.2551 2.4011 2.4011 4.2254 4.2254 4.5512 4.5512 5.6106 5.6106 5.9861 5.9861 k = 0.0000 0.0000 0.0143 ( 5931 PWs) bands (ev): -11.0139 -11.0139 -10.0412 -10.0412 -9.1179 -9.1179 -9.0017 -9.0017 -7.5818 -7.5818 -5.1440 -5.1440 -1.5938 -1.5938 -1.5548 -1.5548 -0.5770 -0.5770 -0.1772 -0.1772 0.3732 0.3732 0.7342 0.7342 1.1477 1.1477 1.3932 1.3932 1.4498 1.4498 1.8497 1.8497 2.1304 2.1304 2.2561 2.2561 2.4019 2.4019 4.2256 4.2256 4.5528 4.5528 5.6096 5.6096 5.9868 5.9868 k = 0.0000 0.0000 0.0286 ( 5935 PWs) bands (ev): -11.0126 -11.0126 -10.0418 -10.0418 -9.1212 -9.1212 -9.0031 -9.0031 -7.5771 -7.5771 -5.1421 -5.1421 -1.6122 -1.6122 -1.5390 -1.5390 -0.5783 -0.5783 -0.1784 -0.1784 0.3785 0.3785 0.7344 0.7344 1.1401 1.1401 1.3912 1.3912 1.4541 1.4541 1.8488 1.8488 2.1236 2.1236 2.2588 2.2588 2.4042 2.4042 4.2262 4.2262 4.5575 4.5575 5.6068 5.6068 5.9887 5.9887 k = 0.0000 0.0000 0.0429 ( 5936 PWs) bands (ev): -11.0104 -11.0104 -10.0428 -10.0428 -9.1266 -9.1266 -9.0054 -9.0054 -7.5693 -7.5693 -5.1390 -5.1390 -1.6325 -1.6325 -1.5228 -1.5228 -0.5803 -0.5803 -0.1805 -0.1805 0.3871 0.3871 0.7347 0.7347 1.1279 1.1279 1.3890 1.3890 1.4599 1.4599 1.8475 1.8475 2.1137 2.1137 2.2621 2.2621 2.4078 2.4078 4.2272 4.2272 4.5650 4.5650 5.6023 5.6023 5.9918 5.9918 k = 0.0000 0.0000 0.0571 ( 5932 PWs) bands (ev): -11.0074 -11.0074 -10.0442 -10.0442 -9.1337 -9.1337 -9.0088 -9.0088 -7.5588 -7.5588 -5.1347 -5.1347 -1.6545 -1.6545 -1.5062 -1.5062 -0.5830 -0.5830 -0.1836 -0.1836 0.3987 0.3987 0.7352 0.7352 1.1116 1.1116 1.3874 1.3874 1.4661 1.4661 1.8458 1.8458 2.1020 2.1020 2.2651 2.2651 2.4126 2.4126 4.2284 4.2284 4.5751 4.5751 5.5965 5.5965 5.9957 5.9957 k = 0.0000 0.0000 0.0714 ( 5941 PWs) bands (ev): -11.0036 -11.0036 -10.0461 -10.0461 -9.1421 -9.1421 -9.0133 -9.0133 -7.5457 -7.5457 -5.1293 -5.1293 -1.6779 -1.6779 -1.4892 -1.4892 -0.5863 -0.5863 -0.1881 -0.1881 0.4125 0.4125 0.7359 0.7359 1.0919 1.0919 1.3869 1.3869 1.4720 1.4720 1.8438 1.8438 2.0896 2.0896 2.2671 2.2671 2.4180 2.4180 4.2299 4.2299 4.5874 4.5874 5.5898 5.5898 6.0003 6.0003 k = 0.0000 0.0000 0.0857 ( 5932 PWs) bands (ev): -10.9990 -10.9990 -10.0484 -10.0484 -9.1515 -9.1515 -9.0189 -9.0189 -7.5305 -7.5305 -5.1230 -5.1230 -1.7027 -1.7027 -1.4715 -1.4715 -0.5900 -0.5900 -0.1939 -0.1939 0.4280 0.4280 0.7370 0.7370 1.0696 1.0696 1.3878 1.3878 1.4773 1.4773 1.8415 1.8415 2.0773 2.0773 2.2679 2.2679 2.4237 2.4237 4.2315 4.2315 4.6014 4.6014 5.5827 5.5827 6.0049 6.0049 k = 0.0000 0.0000 0.1000 ( 5931 PWs) bands (ev): -10.9938 -10.9938 -10.0512 -10.0512 -9.1613 -9.1613 -9.0257 -9.0257 -7.5134 -7.5134 -5.1158 -5.1158 -1.7284 -1.7284 -1.4531 -1.4531 -0.5939 -0.5939 -0.2012 -0.2012 0.4442 0.4442 0.7383 0.7383 1.0459 1.0459 1.3900 1.3900 1.4818 1.4818 1.8392 1.8392 2.0656 2.0656 2.2677 2.2677 2.4291 2.4291 4.2330 4.2330 4.6166 4.6166 5.5758 5.5758 6.0094 6.0094 k = 0.0000 0.0000 0.1143 ( 5939 PWs) bands (ev): -10.9880 -10.9880 -10.0545 -10.0545 -9.1714 -9.1714 -9.0335 -9.0335 -7.4948 -7.4948 -5.1079 -5.1079 -1.7548 -1.7548 -1.4339 -1.4339 -0.5980 -0.5980 -0.2100 -0.2100 0.4601 0.4601 0.7396 0.7396 1.0218 1.0218 1.3937 1.3937 1.4856 1.4856 1.8369 1.8369 2.0548 2.0548 2.2667 2.2667 2.4336 2.4336 4.2341 4.2341 4.6327 4.6327 5.5697 5.5697 6.0130 6.0130 k = 0.0000 0.0000 0.1286 ( 5936 PWs) bands (ev): -10.9817 -10.9817 -10.0583 -10.0583 -9.1811 -9.1811 -9.0424 -9.0424 -7.4753 -7.4753 -5.0994 -5.0994 -1.7816 -1.7816 -1.4141 -1.4141 -0.6019 -0.6019 -0.2202 -0.2202 0.4747 0.4747 0.7403 0.7403 0.9987 0.9987 1.3988 1.3988 1.4888 1.4888 1.8347 1.8347 2.0450 2.0450 2.2651 2.2651 2.4370 2.4370 4.2347 4.2347 4.6491 4.6491 5.5649 5.5649 6.0154 6.0154 k = 0.0000 0.0000 0.1428 ( 5938 PWs) bands (ev): -10.9750 -10.9750 -10.0625 -10.0625 -9.1903 -9.1903 -9.0522 -9.0522 -7.4552 -7.4552 -5.0906 -5.0906 -1.8082 -1.8082 -1.3939 -1.3939 -0.6055 -0.6055 -0.2318 -0.2318 0.4872 0.4872 0.7397 0.7397 0.9780 0.9780 1.4051 1.4051 1.4920 1.4920 1.8329 1.8329 2.0361 2.0361 2.2632 2.2632 2.4389 2.4389 4.2344 4.2344 4.6655 4.6655 5.5621 5.5621 6.0162 6.0162 k = 0.0000 0.0000 0.1571 ( 5942 PWs) bands (ev): -10.9680 -10.9680 -10.0672 -10.0672 -9.1985 -9.1985 -9.0629 -9.0629 -7.4349 -7.4349 -5.0816 -5.0816 -1.8344 -1.8344 -1.3735 -1.3735 -0.6084 -0.6084 -0.2446 -0.2446 0.4968 0.4968 0.7367 0.7367 0.9615 0.9615 1.4123 1.4123 1.4955 1.4955 1.8315 1.8315 2.0280 2.0280 2.2615 2.2615 2.4391 2.4391 4.2332 4.2332 4.6814 4.6814 5.5616 5.5616 6.0150 6.0150 k = 0.0000 0.0000 0.1714 ( 5948 PWs) bands (ev): -10.9608 -10.9608 -10.0722 -10.0722 -9.2056 -9.2056 -9.0742 -9.0742 -7.4148 -7.4148 -5.0726 -5.0726 -1.8597 -1.8597 -1.3532 -1.3532 -0.6103 -0.6103 -0.2587 -0.2587 0.5032 0.5032 0.7307 0.7307 0.9500 0.9500 1.4199 1.4199 1.5002 1.5002 1.8308 1.8308 2.0203 2.0203 2.2601 2.2601 2.4374 2.4374 4.2310 4.2310 4.6966 4.6966 5.5638 5.5638 6.0116 6.0116 k = 0.0000 0.0000 0.1857 ( 5945 PWs) bands (ev): -10.9536 -10.9536 -10.0775 -10.0775 -9.2113 -9.2113 -9.0860 -9.0860 -7.3953 -7.3953 -5.0637 -5.0637 -1.8837 -1.8837 -1.3334 -1.3334 -0.6109 -0.6109 -0.2738 -0.2738 0.5061 0.5061 0.7217 0.7217 0.9438 0.9438 1.4270 1.4270 1.5067 1.5067 1.8309 1.8309 2.0128 2.0128 2.2595 2.2595 2.4339 2.4339 4.2277 4.2277 4.7107 4.7107 5.5689 5.5689 6.0062 6.0062 k = 0.0000 0.0000 0.2000 ( 5947 PWs) bands (ev): -10.9466 -10.9466 -10.0829 -10.0829 -9.2155 -9.2155 -9.0983 -9.0983 -7.3768 -7.3768 -5.0552 -5.0552 -1.9061 -1.9061 -1.3144 -1.3144 -0.6099 -0.6099 -0.2899 -0.2899 0.5057 0.5057 0.7107 0.7107 0.9422 0.9422 1.4331 1.4331 1.5155 1.5155 1.8323 1.8323 2.0050 2.0050 2.2599 2.2599 2.4285 2.4285 4.2235 4.2235 4.7236 4.7236 5.5767 5.5767 5.9990 5.9990 k = 0.0000 0.0000 0.2143 ( 5945 PWs) bands (ev): -10.9399 -10.9399 -10.0883 -10.0883 -9.2181 -9.2181 -9.1108 -9.1108 -7.3597 -7.3597 -5.0472 -5.0472 -1.9267 -1.9267 -1.2968 -1.2968 -0.6071 -0.6071 -0.3068 -0.3068 0.5021 0.5021 0.6992 0.6992 0.9436 0.9436 1.4376 1.4376 1.5266 1.5266 1.8350 1.8350 1.9966 1.9966 2.2614 2.2614 2.4214 2.4214 4.2186 4.2186 4.7350 4.7350 5.5870 5.5870 5.9903 5.9903 k = 0.0000 0.0000 0.2285 ( 5943 PWs) bands (ev): -10.9336 -10.9336 -10.0934 -10.0934 -9.2189 -9.2189 -9.1233 -9.1233 -7.3441 -7.3441 -5.0399 -5.0399 -1.9450 -1.9450 -1.2808 -1.2808 -0.6022 -0.6022 -0.3244 -0.3244 0.4961 0.4961 0.6885 0.6885 0.9467 0.9467 1.4407 1.4407 1.5392 1.5392 1.8395 1.8395 1.9873 1.9873 2.2643 2.2643 2.4128 2.4128 4.2132 4.2132 4.7450 4.7450 5.5991 5.5991 5.9806 5.9806 k = 0.0000 0.0000 0.2428 ( 5942 PWs) bands (ev): -10.9280 -10.9280 -10.0982 -10.0982 -9.2181 -9.2181 -9.1357 -9.1357 -7.3305 -7.3305 -5.0335 -5.0335 -1.9610 -1.9610 -1.2669 -1.2669 -0.5955 -0.5955 -0.3423 -0.3423 0.4885 0.4885 0.6794 0.6794 0.9505 0.9505 1.4426 1.4426 1.5522 1.5522 1.8460 1.8460 1.9770 1.9770 2.2685 2.2685 2.4031 2.4031 4.2077 4.2077 4.7534 4.7534 5.6124 5.6124 5.9704 5.9704 k = 0.0000 0.0000 0.2571 ( 5937 PWs) bands (ev): -10.9231 -10.9231 -10.1025 -10.1025 -9.2156 -9.2156 -9.1479 -9.1479 -7.3190 -7.3190 -5.0280 -5.0280 -1.9743 -1.9743 -1.2552 -1.2552 -0.5871 -0.5871 -0.3599 -0.3599 0.4803 0.4803 0.6722 0.6722 0.9542 0.9542 1.4437 1.4437 1.5644 1.5644 1.8545 1.8545 1.9656 1.9656 2.2740 2.2740 2.3926 2.3926 4.2025 4.2025 4.7602 4.7602 5.6258 5.6258 5.9606 5.9606 k = 0.0000 0.0000 0.2714 ( 5944 PWs) bands (ev): -10.9191 -10.9191 -10.1060 -10.1060 -9.2115 -9.2115 -9.1596 -9.1596 -7.3099 -7.3099 -5.0236 -5.0236 -1.9848 -1.9848 -1.2459 -1.2459 -0.5779 -0.5779 -0.3763 -0.3763 0.4727 0.4727 0.6669 0.6669 0.9573 0.9573 1.4443 1.4443 1.5749 1.5749 1.8649 1.8649 1.9531 1.9531 2.2802 2.2802 2.3821 2.3821 4.1980 4.1980 4.7655 4.7655 5.6382 5.6382 5.9517 5.9517 k = 0.0000 0.0000 0.2857 ( 5944 PWs) bands (ev): -10.9162 -10.9162 -10.1086 -10.1086 -9.2060 -9.2060 -9.1706 -9.1706 -7.3032 -7.3032 -5.0204 -5.0204 -1.9925 -1.9925 -1.2393 -1.2393 -0.5691 -0.5691 -0.3903 -0.3903 0.4665 0.4665 0.6633 0.6633 0.9597 0.9597 1.4446 1.4446 1.5829 1.5829 1.8769 1.8769 1.9399 1.9399 2.2865 2.2865 2.3727 2.3727 4.1946 4.1946 4.7693 4.7693 5.6483 5.6483 5.9445 5.9445 k = 0.0000 0.0000 0.3000 ( 5947 PWs) bands (ev): -10.9144 -10.9144 -10.1102 -10.1102 -9.1993 -9.1993 -9.1806 -9.1806 -7.2992 -7.2992 -5.0185 -5.0185 -1.9971 -1.9971 -1.2353 -1.2353 -0.5626 -0.5626 -0.4000 -0.4000 0.4625 0.4625 0.6612 0.6612 0.9611 0.9611 1.4448 1.4448 1.5878 1.5878 1.8890 1.8890 1.9271 1.9271 2.2915 2.2915 2.3656 2.3656 4.1924 4.1924 4.7715 4.7715 5.6549 5.6549 5.9398 5.9398 k = 0.0000 0.0000 0.3142 ( 5944 PWs) bands (ev): -10.9138 -10.9138 -10.1108 -10.1108 -9.1935 -9.1935 -9.1875 -9.1875 -7.2979 -7.2979 -5.0178 -5.0178 -1.9986 -1.9986 -1.2340 -1.2340 -0.5601 -0.5601 -0.4035 -0.4035 0.4611 0.4611 0.6605 0.6605 0.9616 0.9616 1.4448 1.4448 1.5895 1.5895 1.8961 1.8961 1.9198 1.9198 2.2935 2.2935 2.3630 2.3630 4.1916 4.1916 4.7722 4.7722 5.6572 5.6572 5.9381 5.9381 k = 0.5000-0.0721 0.2634 ( 5912 PWs) bands (ev): -10.7481 -10.7481 -10.0147 -10.0147 -9.1643 -9.1643 -9.0605 -9.0605 -7.2401 -7.2401 -5.3676 -5.3676 -1.8255 -1.8255 -1.4826 -1.4826 -1.2319 -1.2319 -1.0115 -1.0115 0.2923 0.2923 0.4350 0.4350 0.6697 0.6697 0.9113 0.9113 1.2146 1.2146 1.5000 1.5000 1.9896 1.9896 2.1404 2.1404 2.7490 2.7490 4.3821 4.3821 4.7186 4.7186 5.5758 5.5758 6.4972 6.4972 k = 0.4875-0.0702 0.2569 ( 5909 PWs) bands (ev): -10.7485 -10.7485 -10.0148 -10.0148 -9.1646 -9.1646 -9.0601 -9.0601 -7.2407 -7.2407 -5.3670 -5.3670 -1.8257 -1.8257 -1.4821 -1.4821 -1.2315 -1.2315 -1.0104 -1.0104 0.2886 0.2886 0.4367 0.4367 0.6703 0.6703 0.9135 0.9135 1.2138 1.2138 1.5038 1.5038 1.9896 1.9896 2.1410 2.1410 2.7489 2.7489 4.3818 4.3818 4.7191 4.7191 5.5762 5.5762 6.4815 6.4815 k = 0.4750-0.0684 0.2503 ( 5905 PWs) bands (ev): -10.7498 -10.7498 -10.0150 -10.0150 -9.1654 -9.1654 -9.0588 -9.0588 -7.2423 -7.2423 -5.3652 -5.3652 -1.8265 -1.8265 -1.4807 -1.4807 -1.2303 -1.2303 -1.0072 -1.0072 0.2784 0.2784 0.4412 0.4412 0.6720 0.6720 0.9202 0.9202 1.2117 1.2117 1.5146 1.5146 1.9896 1.9896 2.1428 2.1428 2.7485 2.7485 4.3809 4.3809 4.7207 4.7207 5.5775 5.5775 6.4580 6.4580 k = 0.4625-0.0666 0.2437 ( 5904 PWs) bands (ev): -10.7520 -10.7520 -10.0153 -10.0153 -9.1667 -9.1667 -9.0566 -9.0566 -7.2449 -7.2449 -5.3622 -5.3622 -1.8278 -1.8278 -1.4784 -1.4784 -1.2282 -1.2282 -1.0020 -1.0020 0.2635 0.2635 0.4470 0.4470 0.6741 0.6741 0.9315 0.9315 1.2091 1.2091 1.5317 1.5317 1.9896 1.9896 2.1459 2.1459 2.7478 2.7478 4.3794 4.3794 4.7233 4.7233 5.5797 5.5797 6.4310 6.4310 k = 0.4500-0.0648 0.2371 ( 5912 PWs) bands (ev): -10.7550 -10.7550 -10.0157 -10.0157 -9.1683 -9.1683 -9.0539 -9.0539 -7.2485 -7.2485 -5.3581 -5.3581 -1.8294 -1.8294 -1.4754 -1.4754 -1.2252 -1.2252 -0.9947 -0.9947 0.2459 0.2459 0.4531 0.4531 0.6763 0.6763 0.9472 0.9472 1.2071 1.2071 1.5537 1.5537 1.9894 1.9894 2.1503 2.1503 2.7469 2.7469 4.3773 4.3773 4.7269 4.7269 5.5827 5.5827 6.4007 6.4007 k = 0.4375-0.0630 0.2305 ( 5911 PWs) bands (ev): -10.7588 -10.7588 -10.0163 -10.0163 -9.1703 -9.1703 -9.0505 -9.0505 -7.2532 -7.2532 -5.3529 -5.3529 -1.8313 -1.8313 -1.4717 -1.4717 -1.2212 -1.2212 -0.9856 -0.9856 0.2270 0.2270 0.4584 0.4584 0.6783 0.6783 0.9670 0.9670 1.2064 1.2064 1.5794 1.5794 1.9892 1.9892 2.1561 2.1561 2.7457 2.7457 4.3744 4.3744 4.7312 4.7312 5.5865 5.5865 6.3675 6.3675 k = 0.4250-0.0612 0.2239 ( 5907 PWs) bands (ev): -10.7635 -10.7635 -10.0170 -10.0170 -9.1723 -9.1723 -9.0467 -9.0467 -7.2588 -7.2588 -5.3467 -5.3467 -1.8333 -1.8333 -1.4675 -1.4675 -1.2160 -1.2160 -0.9747 -0.9747 0.2081 0.2081 0.4626 0.4626 0.6801 0.6801 0.9903 0.9903 1.2077 1.2077 1.6076 1.6076 1.9890 1.9890 2.1632 2.1632 2.7443 2.7443 4.3707 4.3707 4.7363 4.7363 5.5911 5.5911 6.3318 6.3318 k = 0.4125-0.0594 0.2173 ( 5909 PWs) bands (ev): -10.7688 -10.7688 -10.0177 -10.0177 -9.1744 -9.1744 -9.0427 -9.0427 -7.2653 -7.2653 -5.3396 -5.3396 -1.8352 -1.8352 -1.4629 -1.4629 -1.2098 -1.2098 -0.9622 -0.9622 0.1901 0.1901 0.4652 0.4652 0.6824 0.6824 1.0162 1.0162 1.2116 1.2116 1.6372 1.6372 1.9890 1.9890 2.1718 2.1718 2.7426 2.7426 4.3661 4.3661 4.7419 4.7419 5.5964 5.5964 6.2941 6.2941 k = 0.4000-0.0576 0.2108 ( 5911 PWs) bands (ev): -10.7749 -10.7749 -10.0185 -10.0185 -9.1764 -9.1764 -9.0384 -9.0384 -7.2727 -7.2727 -5.3318 -5.3318 -1.8369 -1.8369 -1.4580 -1.4580 -1.2026 -1.2026 -0.9481 -0.9481 0.1734 0.1734 0.4661 0.4661 0.6857 0.6857 1.0438 1.0438 1.2184 1.2184 1.6670 1.6670 1.9895 1.9895 2.1817 2.1817 2.7407 2.7407 4.3605 4.3605 4.7478 4.7478 5.6021 5.6021 6.2551 6.2551 k = 0.3875-0.0558 0.2042 ( 5913 PWs) bands (ev): -10.7817 -10.7817 -10.0194 -10.0194 -9.1782 -9.1782 -9.0340 -9.0340 -7.2809 -7.2809 -5.3232 -5.3232 -1.8383 -1.8383 -1.4529 -1.4529 -1.1944 -1.1944 -0.9325 -0.9325 0.1586 0.1586 0.4652 0.4652 0.6907 0.6907 1.0722 1.0722 1.2281 1.2281 1.6958 1.6958 1.9910 1.9910 2.1929 2.1929 2.7385 2.7385 4.3538 4.3538 4.7539 4.7539 5.6081 5.6081 6.2156 6.2156 k = 0.3750-0.0540 0.1976 ( 5914 PWs) bands (ev): -10.7892 -10.7892 -10.0204 -10.0204 -9.1799 -9.1799 -9.0296 -9.0296 -7.2899 -7.2899 -5.3140 -5.3140 -1.8393 -1.8393 -1.4476 -1.4476 -1.1854 -1.1854 -0.9153 -0.9153 0.1461 0.1461 0.4628 0.4628 0.6979 0.6979 1.1004 1.1004 1.2408 1.2408 1.7223 1.7223 1.9943 1.9943 2.2053 2.2053 2.7360 2.7360 4.3458 4.3458 4.7600 4.7600 5.6141 5.6141 6.1764 6.1764 k = 0.3625-0.0522 0.1910 ( 5911 PWs) bands (ev): -10.7972 -10.7972 -10.0214 -10.0214 -9.1812 -9.1812 -9.0253 -9.0253 -7.2997 -7.2997 -5.3044 -5.3044 -1.8396 -1.8396 -1.4422 -1.4422 -1.1757 -1.1757 -0.8967 -0.8967 0.1361 0.1361 0.4592 0.4592 0.7074 0.7074 1.1279 1.1279 1.2565 1.2565 1.7451 1.7451 2.0000 2.0000 2.2189 2.2189 2.7332 2.7332 4.3365 4.3365 4.7659 4.7659 5.6197 5.6197 6.1385 6.1385 k = 0.3500-0.0504 0.1844 ( 5907 PWs) bands (ev): -10.8057 -10.8057 -10.0224 -10.0224 -9.1822 -9.1822 -9.0211 -9.0211 -7.3101 -7.3101 -5.2944 -5.2944 -1.8393 -1.8393 -1.4366 -1.4366 -1.1657 -1.1657 -0.8765 -0.8765 0.1288 0.1288 0.4548 0.4548 0.7193 0.7193 1.1543 1.1543 1.2749 1.2749 1.7632 1.7632 2.0087 2.0087 2.2335 2.2335 2.7301 2.7301 4.3258 4.3258 4.7712 4.7712 5.6244 5.6244 6.1031 6.1031 k = 0.3375-0.0486 0.1778 ( 5909 PWs) bands (ev): -10.8147 -10.8147 -10.0235 -10.0235 -9.1829 -9.1829 -9.0171 -9.0171 -7.3210 -7.3210 -5.2842 -5.2842 -1.8382 -1.8382 -1.4308 -1.4308 -1.1554 -1.1554 -0.8546 -0.8546 0.1243 0.1243 0.4501 0.4501 0.7333 0.7333 1.1793 1.1793 1.2955 1.2955 1.7762 1.7762 2.0202 2.0202 2.2491 2.2491 2.7266 2.7266 4.3136 4.3136 4.7759 4.7759 5.6276 5.6276 6.0713 6.0713 k = 0.3250-0.0468 0.1712 ( 5911 PWs) bands (ev): -10.8241 -10.8241 -10.0246 -10.0246 -9.1832 -9.1832 -9.0133 -9.0133 -7.3326 -7.3326 -5.2739 -5.2739 -1.8363 -1.8363 -1.4250 -1.4250 -1.1449 -1.1449 -0.8312 -0.8312 0.1226 0.1226 0.4456 0.4456 0.7493 0.7493 1.2032 1.2032 1.3177 1.3177 1.7843 1.7843 2.0340 2.0340 2.2654 2.2654 2.7228 2.7228 4.3001 4.3001 4.7797 4.7797 5.6289 5.6289 6.0441 6.0441 k = 0.3125-0.0450 0.1647 ( 5918 PWs) bands (ev): -10.8339 -10.8339 -10.0256 -10.0256 -9.1832 -9.1832 -9.0098 -9.0098 -7.3445 -7.3445 -5.2636 -5.2636 -1.8336 -1.8336 -1.4190 -1.4190 -1.1343 -1.1343 -0.8061 -0.8061 0.1239 0.1239 0.4417 0.4417 0.7669 0.7669 1.2261 1.2261 1.3408 1.3408 1.7884 1.7884 2.0488 2.0488 2.2822 2.2822 2.7185 2.7185 4.2852 4.2852 4.7823 4.7823 5.6280 5.6280 6.0222 6.0222 k = 0.3000-0.0432 0.1581 ( 5920 PWs) bands (ev): -10.8439 -10.8439 -10.0267 -10.0267 -9.1827 -9.1827 -9.0066 -9.0066 -7.3569 -7.3569 -5.2534 -5.2534 -1.8299 -1.8299 -1.4132 -1.4132 -1.1236 -1.1236 -0.7794 -0.7794 0.1282 0.1282 0.4387 0.4387 0.7860 0.7860 1.2483 1.2483 1.3639 1.3639 1.7896 1.7896 2.0632 2.0632 2.2993 2.2993 2.7137 2.7137 4.2694 4.2694 4.7837 4.7837 5.6247 5.6247 6.0060 6.0060 k = 0.2875-0.0414 0.1515 ( 5920 PWs) bands (ev): -10.8542 -10.8542 -10.0277 -10.0277 -9.1818 -9.1818 -9.0036 -9.0036 -7.3696 -7.3696 -5.2435 -5.2435 -1.8254 -1.8254 -1.4075 -1.4075 -1.1125 -1.1125 -0.7511 -0.7511 0.1353 0.1353 0.4366 0.4366 0.8061 0.8061 1.2698 1.2698 1.3866 1.3866 1.7893 1.7893 2.0759 2.0759 2.3162 2.3162 2.7084 2.7084 4.2527 4.2527 4.7836 4.7836 5.6194 5.6194 5.9954 5.9954 k = 0.2750-0.0396 0.1449 ( 5920 PWs) bands (ev): -10.8646 -10.8646 -10.0288 -10.0288 -9.1805 -9.1805 -9.0009 -9.0009 -7.3826 -7.3826 -5.2338 -5.2338 -1.8200 -1.8200 -1.4023 -1.4023 -1.1009 -1.1009 -0.7214 -0.7214 0.1453 0.1453 0.4357 0.4357 0.8272 0.8272 1.2908 1.2908 1.4084 1.4084 1.7884 1.7884 2.0859 2.0859 2.3323 2.3323 2.7024 2.7024 4.2358 4.2358 4.7819 4.7819 5.6127 5.6127 5.9897 5.9897 k = 0.2625-0.0378 0.1383 ( 5914 PWs) bands (ev): -10.8750 -10.8750 -10.0298 -10.0298 -9.1789 -9.1789 -8.9986 -8.9986 -7.3957 -7.3957 -5.2245 -5.2245 -1.8137 -1.8137 -1.3978 -1.3978 -1.0884 -1.0884 -0.6903 -0.6903 0.1580 0.1580 0.4359 0.4359 0.8489 0.8489 1.3112 1.3112 1.4289 1.4289 1.7879 1.7879 2.0928 2.0928 2.3472 2.3472 2.6958 2.6958 4.2189 4.2189 4.7785 4.7785 5.6054 5.6054 5.9880 5.9880 k = 0.2500-0.0360 0.1317 ( 5915 PWs) bands (ev): -10.8855 -10.8855 -10.0308 -10.0308 -9.1768 -9.1768 -8.9966 -8.9966 -7.4090 -7.4090 -5.2157 -5.2157 -1.8066 -1.8066 -1.3944 -1.3944 -1.0745 -1.0745 -0.6580 -0.6580 0.1733 0.1733 0.4371 0.4371 0.8710 0.8710 1.3306 1.3306 1.4481 1.4481 1.7883 1.7883 2.0960 2.0960 2.3603 2.3603 2.6882 2.6882 4.2028 4.2028 4.7735 4.7735 5.5984 5.5984 5.9893 5.9893 k = 0.2375-0.0342 0.1251 ( 5918 PWs) bands (ev): -10.8959 -10.8959 -10.0317 -10.0317 -9.1744 -9.1744 -8.9949 -8.9949 -7.4223 -7.4223 -5.2074 -5.2074 -1.7988 -1.7988 -1.3922 -1.3922 -1.0588 -1.0588 -0.6248 -0.6248 0.1910 0.1910 0.4393 0.4393 0.8934 0.8934 1.3487 1.3487 1.4661 1.4661 1.7900 1.7900 2.0955 2.0955 2.3712 2.3712 2.6797 2.6797 4.1880 4.1880 4.7667 4.7667 5.5923 5.5923 5.9925 5.9925 k = 0.2250-0.0324 0.1186 ( 5913 PWs) bands (ev): -10.9062 -10.9062 -10.0326 -10.0326 -9.1717 -9.1717 -8.9936 -8.9936 -7.4355 -7.4355 -5.1996 -5.1996 -1.7902 -1.7902 -1.3915 -1.3915 -1.0410 -1.0410 -0.5908 -0.5908 0.2106 0.2106 0.4426 0.4426 0.9157 0.9157 1.3651 1.3651 1.4831 1.4831 1.7932 1.7932 2.0914 2.0914 2.3796 2.3796 2.6700 2.6700 4.1749 4.1749 4.7583 4.7583 5.5875 5.5875 5.9967 5.9967 k = 0.2125-0.0306 0.1120 ( 5918 PWs) bands (ev): -10.9164 -10.9164 -10.0335 -10.0335 -9.1687 -9.1687 -8.9926 -8.9926 -7.4487 -7.4487 -5.1924 -5.1924 -1.7810 -1.7810 -1.3926 -1.3926 -1.0208 -1.0208 -0.5563 -0.5563 0.2319 0.2319 0.4469 0.4469 0.9378 0.9378 1.3793 1.3793 1.4996 1.4996 1.7977 1.7977 2.0839 2.0839 2.3854 2.3854 2.6589 2.6589 4.1639 4.1639 4.7484 4.7484 5.5843 5.5843 6.0011 6.0011 k = 0.2000-0.0288 0.1054 ( 5921 PWs) bands (ev): -10.9263 -10.9263 -10.0343 -10.0343 -9.1654 -9.1654 -8.9918 -8.9918 -7.4616 -7.4616 -5.1858 -5.1858 -1.7712 -1.7712 -1.3954 -1.3954 -0.9980 -0.9980 -0.5215 -0.5215 0.2542 0.2542 0.4524 0.4524 0.9595 0.9595 1.3910 1.3910 1.5160 1.5160 1.8028 1.8028 2.0736 2.0736 2.3886 2.3886 2.6463 2.6463 4.1555 4.1555 4.7372 4.7372 5.5825 5.5825 6.0053 6.0053 k = 0.1875-0.0270 0.0988 ( 5920 PWs) bands (ev): -10.9358 -10.9358 -10.0351 -10.0351 -9.1619 -9.1619 -8.9914 -8.9914 -7.4743 -7.4743 -5.1797 -5.1797 -1.7609 -1.7609 -1.4000 -1.4000 -0.9725 -0.9725 -0.4869 -0.4869 0.2767 0.2767 0.4595 0.4595 0.9806 0.9806 1.3999 1.3999 1.5325 1.5325 1.8078 1.8078 2.0616 2.0616 2.3893 2.3893 2.6323 2.6323 4.1497 4.1497 4.7247 4.7247 5.5822 5.5822 6.0088 6.0088 k = 0.1750-0.0252 0.0922 ( 5919 PWs) bands (ev): -10.9451 -10.9451 -10.0358 -10.0358 -9.1582 -9.1582 -8.9913 -8.9913 -7.4866 -7.4866 -5.1743 -5.1743 -1.7501 -1.7501 -1.4063 -1.4063 -0.9446 -0.9446 -0.4525 -0.4525 0.2985 0.2985 0.4687 0.4687 1.0010 1.0010 1.4062 1.4062 1.5490 1.5490 1.8116 1.8116 2.0491 2.0491 2.3876 2.3876 2.6168 2.6168 4.1466 4.1466 4.7113 4.7113 5.5832 5.5832 6.0114 6.0114 k = 0.1625-0.0234 0.0856 ( 5921 PWs) bands (ev): -10.9539 -10.9539 -10.0365 -10.0365 -9.1543 -9.1543 -8.9914 -8.9914 -7.4985 -7.4985 -5.1694 -5.1694 -1.7389 -1.7389 -1.4140 -1.4140 -0.9145 -0.9145 -0.4189 -0.4189 0.3184 0.3184 0.4809 0.4809 1.0205 1.0205 1.4101 1.4101 1.5648 1.5648 1.8129 1.8129 2.0381 2.0381 2.3837 2.3837 2.5999 2.5999 4.1460 4.1460 4.6971 4.6971 5.5850 5.5850 6.0129 6.0129 k = 0.1500-0.0216 0.0790 ( 5924 PWs) bands (ev): -10.9623 -10.9623 -10.0372 -10.0372 -9.1503 -9.1503 -8.9918 -8.9918 -7.5099 -7.5099 -5.1651 -5.1651 -1.7273 -1.7273 -1.4230 -1.4230 -0.8824 -0.8824 -0.3863 -0.3863 0.3354 0.3354 0.4966 0.4966 1.0390 1.0390 1.4121 1.4121 1.5790 1.5790 1.8110 1.8110 2.0303 2.0303 2.3778 2.3778 2.5818 2.5818 4.1478 4.1478 4.6825 4.6825 5.5875 5.5875 6.0134 6.0134 k = 0.1375-0.0198 0.0724 ( 5929 PWs) bands (ev): -10.9702 -10.9702 -10.0378 -10.0378 -9.1462 -9.1462 -8.9923 -8.9923 -7.5208 -7.5208 -5.1612 -5.1612 -1.7155 -1.7155 -1.4331 -1.4331 -0.8489 -0.8489 -0.3551 -0.3551 0.3487 0.3487 0.5161 0.5161 1.0563 1.0563 1.4125 1.4125 1.5901 1.5901 1.8059 1.8059 2.0272 2.0272 2.3701 2.3701 2.5628 2.5628 4.1518 4.1518 4.6675 4.6675 5.5904 5.5904 6.0128 6.0128 k = 0.1250-0.0180 0.0659 ( 5923 PWs) bands (ev): -10.9775 -10.9775 -10.0383 -10.0383 -9.1422 -9.1422 -8.9931 -8.9931 -7.5309 -7.5309 -5.1579 -5.1579 -1.7034 -1.7034 -1.4441 -1.4441 -0.8144 -0.8144 -0.3255 -0.3255 0.3583 0.3583 0.5392 0.5392 1.0724 1.0724 1.4115 1.4115 1.5960 1.5960 1.7997 1.7997 2.0290 2.0290 2.3608 2.3608 2.5432 2.5432 4.1575 4.1575 4.6524 4.6524 5.5935 5.5935 6.0113 6.0113 k = 0.1125-0.0162 0.0593 ( 5921 PWs) bands (ev): -10.9843 -10.9843 -10.0388 -10.0388 -9.1382 -9.1382 -8.9940 -8.9940 -7.5404 -7.5404 -5.1551 -5.1551 -1.6910 -1.6910 -1.4558 -1.4558 -0.7796 -0.7796 -0.2980 -0.2980 0.3647 0.3647 0.5647 0.5647 1.0871 1.0871 1.4097 1.4097 1.5947 1.5947 1.7953 1.7953 2.0353 2.0353 2.3502 2.3502 2.5232 2.5232 4.1647 4.1647 4.6374 4.6374 5.5965 5.5965 6.0091 6.0091 k = 0.1000-0.0144 0.0527 ( 5914 PWs) bands (ev): -10.9904 -10.9904 -10.0393 -10.0393 -9.1344 -9.1344 -8.9950 -8.9950 -7.5490 -7.5490 -5.1526 -5.1526 -1.6785 -1.6785 -1.4680 -1.4680 -0.7450 -0.7450 -0.2729 -0.2729 0.3687 0.3687 0.5917 0.5917 1.1004 1.1004 1.4071 1.4071 1.5852 1.5852 1.7951 1.7951 2.0450 2.0450 2.3385 2.3385 2.5032 2.5032 4.1729 4.1729 4.6227 4.6227 5.5994 5.5994 6.0063 6.0063 k = 0.0875-0.0126 0.0461 ( 5913 PWs) bands (ev): -10.9959 -10.9959 -10.0397 -10.0397 -9.1307 -9.1307 -8.9961 -8.9961 -7.5568 -7.5568 -5.1506 -5.1506 -1.6659 -1.6659 -1.4807 -1.4807 -0.7116 -0.7116 -0.2504 -0.2504 0.3710 0.3710 0.6189 0.6189 1.1122 1.1122 1.4040 1.4040 1.5684 1.5684 1.7997 1.7997 2.0569 2.0569 2.3260 2.3260 2.4836 2.4836 4.1818 4.1818 4.6086 4.6086 5.6019 5.6019 6.0030 6.0030 k = 0.0750-0.0108 0.0395 ( 5919 PWs) bands (ev): -11.0007 -11.0007 -10.0400 -10.0400 -9.1273 -9.1273 -8.9972 -8.9972 -7.5637 -7.5637 -5.1489 -5.1489 -1.6531 -1.6531 -1.4936 -1.4936 -0.6800 -0.6800 -0.2307 -0.2307 0.3721 0.3721 0.6452 0.6452 1.1224 1.1224 1.4008 1.4008 1.5469 1.5469 1.8078 1.8078 2.0703 2.0703 2.3130 2.3130 2.4648 2.4648 4.1909 4.1909 4.5953 4.5953 5.6042 5.6042 5.9995 5.9995 k = 0.0625-0.0090 0.0329 ( 5925 PWs) bands (ev): -11.0048 -11.0048 -10.0404 -10.0404 -9.1243 -9.1243 -8.9983 -8.9983 -7.5696 -7.5696 -5.1476 -5.1476 -1.6402 -1.6402 -1.5067 -1.5067 -0.6511 -0.6511 -0.2141 -0.2141 0.3725 0.3725 0.6697 0.6697 1.1310 1.1310 1.3979 1.3979 1.5234 1.5234 1.8177 1.8177 2.0844 2.0844 2.2998 2.2998 2.4474 2.4474 4.1998 4.1998 4.5832 4.5832 5.6061 5.6061 5.9961 5.9961 k = 0.0500-0.0072 0.0263 ( 5919 PWs) bands (ev): -11.0082 -11.0082 -10.0406 -10.0406 -9.1217 -9.1217 -8.9993 -8.9993 -7.5745 -7.5745 -5.1465 -5.1465 -1.6273 -1.6273 -1.5198 -1.5198 -0.6258 -0.6258 -0.2005 -0.2005 0.3724 0.3724 0.6914 0.6914 1.1380 1.1380 1.3955 1.3955 1.5004 1.5004 1.8277 1.8277 2.0983 2.0983 2.2869 2.2869 2.4320 2.4320 4.2081 4.2081 4.5725 4.5725 5.6077 5.6077 5.9928 5.9928 k = 0.0375-0.0054 0.0198 ( 5928 PWs) bands (ev): -11.0109 -11.0109 -10.0408 -10.0408 -9.1196 -9.1196 -9.0001 -9.0001 -7.5784 -7.5784 -5.1457 -5.1457 -1.6144 -1.6144 -1.5330 -1.5330 -0.6050 -0.6050 -0.1901 -0.1901 0.3721 0.3721 0.7094 0.7094 1.1434 1.1434 1.3940 1.3940 1.4798 1.4798 1.8368 1.8368 2.1113 2.1113 2.2749 2.2749 2.4190 2.4190 4.2152 4.2152 4.5636 4.5636 5.6090 5.6090 5.9900 5.9900 k = 0.0250-0.0036 0.0132 ( 5927 PWs) bands (ev): -11.0128 -11.0128 -10.0409 -10.0409 -9.1180 -9.1180 -9.0007 -9.0007 -7.5811 -7.5811 -5.1451 -5.1451 -1.6017 -1.6017 -1.5459 -1.5459 -0.5895 -0.5895 -0.1827 -0.1827 0.3717 0.3717 0.7229 0.7229 1.1472 1.1472 1.3935 1.3935 1.4632 1.4632 1.8439 1.8439 2.1224 2.1224 2.2647 2.2647 2.4093 2.4093 4.2207 4.2207 4.5568 4.5568 5.6099 5.6099 5.9879 5.9879 k = 0.0125-0.0018 0.0066 ( 5931 PWs) bands (ev): -11.0140 -11.0140 -10.0410 -10.0410 -9.1171 -9.1171 -9.0011 -9.0011 -7.5828 -7.5828 -5.1448 -5.1448 -1.5895 -1.5895 -1.5582 -1.5582 -0.5799 -0.5799 -0.1783 -0.1783 0.3715 0.3715 0.7313 0.7313 1.1495 1.1495 1.3938 1.3938 1.4521 1.4521 1.8484 1.8484 2.1301 2.1301 2.2576 2.2576 2.4032 2.4032 4.2242 4.2242 4.5527 4.5527 5.6104 5.6104 5.9866 5.9866 k = 0.0000 0.0000 0.0000 ( 5929 PWs) bands (ev): -11.0143 -11.0143 -10.0410 -10.0410 -9.1167 -9.1167 -9.0012 -9.0012 -7.5834 -7.5834 -5.1447 -5.1447 -1.5821 -1.5821 -1.5656 -1.5656 -0.5766 -0.5766 -0.1769 -0.1769 0.3714 0.3714 0.7342 0.7342 1.1502 1.1502 1.3940 1.3940 1.4482 1.4482 1.8499 1.8499 2.1328 2.1328 2.2551 2.2551 2.4011 2.4011 4.2254 4.2254 4.5512 4.5512 5.6106 5.6106 5.9861 5.9861 k = 0.0000 0.0000 0.0000 ( 5929 PWs) bands (ev): -11.0143 -11.0143 -10.0410 -10.0410 -9.1167 -9.1167 -9.0012 -9.0012 -7.5834 -7.5834 -5.1447 -5.1447 -1.5821 -1.5821 -1.5656 -1.5656 -0.5766 -0.5766 -0.1769 -0.1769 0.3714 0.3714 0.7342 0.7342 1.1502 1.1502 1.3940 1.3940 1.4482 1.4482 1.8499 1.8499 2.1328 2.1328 2.2551 2.2551 2.4011 2.4011 4.2254 4.2254 4.5512 4.5512 5.6106 5.6106 5.9861 5.9861 k = 0.0000 0.0113 0.0091 ( 5933 PWs) bands (ev): -11.0139 -11.0139 -10.0412 -10.0412 -9.1175 -9.1175 -9.0019 -9.0019 -7.5822 -7.5822 -5.1442 -5.1442 -1.5815 -1.5815 -1.5655 -1.5655 -0.5778 -0.5778 -0.1763 -0.1763 0.3727 0.3727 0.7339 0.7339 1.1489 1.1489 1.3931 1.3931 1.4495 1.4495 1.8483 1.8483 2.1323 2.1323 2.2520 2.2520 2.4027 2.4027 4.2257 4.2257 4.5522 4.5522 5.6112 5.6112 5.9867 5.9867 k = 0.0000 0.0225 0.0181 ( 5926 PWs) bands (ev): -11.0128 -11.0128 -10.0415 -10.0415 -9.1197 -9.1197 -9.0037 -9.0037 -7.5787 -7.5787 -5.1428 -5.1428 -1.5803 -1.5803 -1.5645 -1.5645 -0.5813 -0.5813 -0.1745 -0.1745 0.3767 0.3767 0.7330 0.7330 1.1449 1.1449 1.3904 1.3904 1.4531 1.4531 1.8435 1.8435 2.1306 2.1306 2.2435 2.2435 2.4070 2.4070 4.2264 4.2264 4.5550 4.5550 5.6132 5.6132 5.9884 5.9884 k = 0.0000 0.0338 0.0272 ( 5930 PWs) bands (ev): -11.0108 -11.0108 -10.0421 -10.0421 -9.1234 -9.1234 -9.0069 -9.0069 -7.5730 -7.5730 -5.1406 -5.1406 -1.5799 -1.5799 -1.5611 -1.5611 -0.5869 -0.5869 -0.1718 -0.1718 0.3833 0.3833 0.7315 0.7315 1.1384 1.1384 1.3866 1.3866 1.4582 1.4582 1.8359 1.8359 2.1276 2.1276 2.2308 2.2308 2.4126 2.4126 4.2277 4.2277 4.5598 4.5598 5.6164 5.6164 5.9911 5.9911 k = 0.0000 0.0450 0.0363 ( 5934 PWs) bands (ev): -11.0081 -11.0081 -10.0429 -10.0429 -9.1285 -9.1285 -9.0112 -9.0112 -7.5650 -7.5650 -5.1375 -5.1375 -1.5814 -1.5814 -1.5544 -1.5544 -0.5945 -0.5945 -0.1686 -0.1686 0.3923 0.3923 0.7296 0.7296 1.1296 1.1296 1.3823 1.3823 1.4641 1.4641 1.8260 1.8260 2.1231 2.1231 2.2154 2.2154 2.4181 2.4181 4.2295 4.2295 4.5665 4.5665 5.6208 5.6208 5.9949 5.9950 k = 0.0000 0.0563 0.0453 ( 5930 PWs) bands (ev): -11.0047 -11.0047 -10.0440 -10.0440 -9.1349 -9.1349 -9.0167 -9.0167 -7.5550 -7.5550 -5.1335 -5.1335 -1.5846 -1.5846 -1.5444 -1.5444 -0.6038 -0.6038 -0.1652 -0.1652 0.4034 0.4034 0.7273 0.7273 1.1188 1.1188 1.3779 1.3779 1.4701 1.4701 1.8144 1.8144 2.1166 2.1166 2.1988 2.1988 2.4224 2.4224 4.2317 4.2317 4.5752 4.5752 5.6263 5.6263 5.9997 5.9997 k = 0.0000 0.0675 0.0544 ( 5931 PWs) bands (ev): -11.0006 -11.0006 -10.0452 -10.0452 -9.1424 -9.1424 -9.0234 -9.0234 -7.5431 -7.5431 -5.1288 -5.1288 -1.5889 -1.5889 -1.5318 -1.5318 -0.6144 -0.6144 -0.1620 -0.1620 0.4165 0.4165 0.7249 0.7249 1.1064 1.1064 1.3736 1.3736 1.4756 1.4756 1.8018 1.8018 2.1078 2.1078 2.1819 2.1819 2.4248 2.4248 4.2344 4.2344 4.5858 4.5858 5.6327 5.6327 6.0053 6.0053 k = 0.0000 0.0788 0.0634 ( 5932 PWs) bands (ev): -10.9958 -10.9958 -10.0466 -10.0466 -9.1509 -9.1509 -9.0311 -9.0311 -7.5295 -7.5295 -5.1233 -5.1233 -1.5941 -1.5941 -1.5167 -1.5167 -0.6262 -0.6262 -0.1595 -0.1595 0.4310 0.4310 0.7225 0.7225 1.0926 1.0926 1.3696 1.3696 1.4803 1.4803 1.7889 1.7889 2.0963 2.0963 2.1658 2.1658 2.4250 2.4250 4.2374 4.2374 4.5982 4.5982 5.6400 5.6400 6.0117 6.0117 k = 0.0000 0.0900 0.0725 ( 5930 PWs) bands (ev): -10.9904 -10.9904 -10.0482 -10.0482 -9.1603 -9.1603 -9.0398 -9.0398 -7.5143 -7.5143 -5.1171 -5.1171 -1.5999 -1.5999 -1.4995 -1.4995 -0.6388 -0.6388 -0.1579 -0.1579 0.4464 0.4464 0.7203 0.7203 1.0778 1.0778 1.3658 1.3658 1.4840 1.4840 1.7762 1.7762 2.0820 2.0820 2.1510 2.1510 2.4226 2.4226 4.2408 4.2408 4.6122 4.6122 5.6479 5.6479 6.0187 6.0187 k = 0.0000 0.1013 0.0816 ( 5927 PWs) bands (ev): -10.9844 -10.9844 -10.0500 -10.0500 -9.1704 -9.1704 -9.0495 -9.0495 -7.4978 -7.4978 -5.1103 -5.1103 -1.6062 -1.6062 -1.4801 -1.4801 -0.6521 -0.6521 -0.1575 -0.1575 0.4619 0.4619 0.7187 0.7187 1.0625 1.0625 1.3621 1.3621 1.4863 1.4863 1.7643 1.7643 2.0653 2.0653 2.1377 2.1377 2.4177 2.4177 4.2445 4.2445 4.6276 4.6276 5.6563 5.6563 6.0263 6.0263 k = 0.0000 0.1125 0.0906 ( 5925 PWs) bands (ev): -10.9778 -10.9778 -10.0519 -10.0519 -9.1811 -9.1811 -9.0599 -9.0599 -7.4801 -7.4801 -5.1029 -5.1029 -1.6129 -1.6129 -1.4590 -1.4590 -0.6659 -0.6659 -0.1584 -0.1584 0.4768 0.4768 0.7177 0.7177 1.0469 1.0469 1.3585 1.3585 1.4874 1.4874 1.7536 1.7536 2.0470 2.0470 2.1254 2.1254 2.4107 2.4107 4.2486 4.2486 4.6440 4.6440 5.6651 5.6651 6.0343 6.0343 k = 0.0000 0.1238 0.0997 ( 5928 PWs) bands (ev): -10.9708 -10.9708 -10.0539 -10.0539 -9.1923 -9.1923 -9.0711 -9.0711 -7.4615 -7.4615 -5.0950 -5.0950 -1.6198 -1.6198 -1.4361 -1.4361 -0.6799 -0.6799 -0.1606 -0.1606 0.4904 0.4904 0.7177 0.7177 1.0313 1.0313 1.3546 1.3546 1.4877 1.4877 1.7443 1.7443 2.0278 2.0278 2.1139 2.1139 2.4018 2.4018 4.2529 4.2529 4.6609 4.6609 5.6740 5.6740 6.0427 6.0427 k = 0.0000 0.1350 0.1088 ( 5927 PWs) bands (ev): -10.9634 -10.9634 -10.0559 -10.0559 -9.2037 -9.2037 -9.0828 -9.0828 -7.4423 -7.4423 -5.0868 -5.0868 -1.6268 -1.6268 -1.4118 -1.4118 -0.6940 -0.6940 -0.1642 -0.1642 0.5018 0.5018 0.7186 0.7186 1.0160 1.0160 1.3499 1.3499 1.4877 1.4877 1.7364 1.7364 2.0085 2.0085 2.1029 2.1029 2.3915 2.3915 4.2577 4.2577 4.6778 4.6778 5.6831 5.6831 6.0513 6.0513 k = 0.0000 0.1463 0.1178 ( 5930 PWs) bands (ev): -10.9557 -10.9557 -10.0581 -10.0581 -9.2154 -9.2154 -9.0950 -9.0950 -7.4226 -7.4226 -5.0782 -5.0782 -1.6339 -1.6339 -1.3863 -1.3863 -0.7079 -0.7079 -0.1692 -0.1692 0.5107 0.5107 0.7204 0.7204 1.0014 1.0014 1.3438 1.3438 1.4885 1.4885 1.7298 1.7298 1.9893 1.9893 2.0923 2.0923 2.3805 2.3805 4.2630 4.2630 4.6940 4.6940 5.6921 5.6921 6.0601 6.0601 k = 0.0000 0.1575 0.1269 ( 5932 PWs) bands (ev): -10.9478 -10.9478 -10.0602 -10.0602 -9.2270 -9.2270 -9.1075 -9.1075 -7.4026 -7.4026 -5.0695 -5.0695 -1.6409 -1.6409 -1.3599 -1.3599 -0.7212 -0.7212 -0.1755 -0.1755 0.5166 0.5166 0.7228 0.7228 0.9875 0.9875 1.3359 1.3359 1.4908 1.4908 1.7244 1.7244 1.9707 1.9707 2.0820 2.0820 2.3693 2.3693 4.2688 4.2688 4.7090 4.7090 5.7010 5.7010 6.0690 6.0690 k = 0.0000 0.1688 0.1360 ( 5930 PWs) bands (ev): -10.9397 -10.9397 -10.0624 -10.0624 -9.2385 -9.2385 -9.1201 -9.1201 -7.3827 -7.3827 -5.0606 -5.0606 -1.6477 -1.6477 -1.3331 -1.3331 -0.7337 -0.7337 -0.1831 -0.1831 0.5196 0.5196 0.7255 0.7255 0.9745 0.9745 1.3259 1.3259 1.4954 1.4954 1.7198 1.7198 1.9529 1.9529 2.0720 2.0720 2.3587 2.3587 4.2753 4.2753 4.7222 4.7222 5.7096 5.7096 6.0778 6.0778 k = 0.0000 0.1800 0.1450 ( 5921 PWs) bands (ev): -10.9315 -10.9315 -10.0646 -10.0646 -9.2499 -9.2499 -9.1327 -9.1327 -7.3631 -7.3631 -5.0518 -5.0518 -1.6543 -1.6543 -1.3063 -1.3063 -0.7449 -0.7449 -0.1918 -0.1918 0.5199 0.5199 0.7280 0.7280 0.9623 0.9623 1.3141 1.3141 1.5024 1.5024 1.7159 1.7159 1.9358 1.9358 2.0622 2.0622 2.3493 2.3493 4.2825 4.2825 4.7330 4.7330 5.7179 5.7179 6.0865 6.0865 k = 0.0000 0.1913 0.1541 ( 5919 PWs) bands (ev): -10.9233 -10.9233 -10.0667 -10.0667 -9.2609 -9.2609 -9.1451 -9.1451 -7.3439 -7.3439 -5.0430 -5.0430 -1.6606 -1.6606 -1.2800 -1.2800 -0.7544 -0.7544 -0.2016 -0.2016 0.5175 0.5175 0.7300 0.7300 0.9508 0.9508 1.3010 1.3010 1.5116 1.5116 1.7124 1.7124 1.9197 1.9197 2.0528 2.0528 2.3416 2.3416 4.2907 4.2907 4.7409 4.7409 5.7259 5.7259 6.0950 6.0950 k = 0.0000 0.2025 0.1632 ( 5928 PWs) bands (ev): -10.9153 -10.9153 -10.0687 -10.0687 -9.2715 -9.2715 -9.1573 -9.1573 -7.3253 -7.3253 -5.0345 -5.0345 -1.6665 -1.6665 -1.2549 -1.2549 -0.7615 -0.7615 -0.2125 -0.2125 0.5129 0.5129 0.7315 0.7315 0.9400 0.9400 1.2873 1.2873 1.5224 1.5224 1.7094 1.7094 1.9044 1.9044 2.0437 2.0437 2.3361 2.3361 4.2999 4.2999 4.7456 4.7456 5.7335 5.7335 6.1031 6.1031 k = 0.0000 0.2138 0.1722 ( 5929 PWs) bands (ev): -10.9076 -10.9076 -10.0707 -10.0707 -9.2815 -9.2815 -9.1689 -9.1689 -7.3077 -7.3077 -5.0262 -5.0262 -1.6719 -1.6719 -1.2316 -1.2316 -0.7657 -0.7657 -0.2243 -0.2243 0.5062 0.5062 0.7325 0.7325 0.9297 0.9297 1.2734 1.2734 1.5343 1.5343 1.7065 1.7065 1.8900 1.8900 2.0349 2.0349 2.3329 2.3329 4.3103 4.3103 4.7469 4.7469 5.7407 5.7407 6.1108 6.1108 k = 0.0000 0.2250 0.1813 ( 5931 PWs) bands (ev): -10.9001 -10.9001 -10.0725 -10.0725 -9.2910 -9.2910 -9.1799 -9.1799 -7.2911 -7.2911 -5.0184 -5.0184 -1.6769 -1.6769 -1.2108 -1.2108 -0.7665 -0.7665 -0.2371 -0.2371 0.4980 0.4980 0.7333 0.7333 0.9197 0.9197 1.2600 1.2600 1.5466 1.5466 1.7038 1.7038 1.8768 1.8768 2.0265 2.0265 2.3321 2.3321 4.3217 4.3217 4.7446 4.7446 5.7476 5.7476 6.1179 6.1179 k = 0.0000 0.2363 0.1903 ( 5930 PWs) bands (ev): -10.8931 -10.8931 -10.0742 -10.0742 -9.2997 -9.2997 -9.1902 -9.1902 -7.2757 -7.2757 -5.0111 -5.0111 -1.6813 -1.6813 -1.1931 -1.1931 -0.7635 -0.7635 -0.2507 -0.2507 0.4884 0.4884 0.7339 0.7339 0.9101 0.9101 1.2475 1.2475 1.5590 1.5590 1.7009 1.7009 1.8648 1.8648 2.0186 2.0186 2.3335 2.3335 4.3343 4.3343 4.7389 4.7389 5.7541 5.7541 6.1244 6.1244 k = 0.0000 0.2475 0.1994 ( 5924 PWs) bands (ev): -10.8866 -10.8866 -10.0758 -10.0758 -9.3077 -9.3077 -9.1995 -9.1995 -7.2617 -7.2617 -5.0045 -5.0045 -1.6853 -1.6853 -1.1788 -1.1788 -0.7566 -0.7566 -0.2650 -0.2650 0.4780 0.4780 0.7347 0.7347 0.9010 0.9010 1.2360 1.2360 1.5711 1.5711 1.6976 1.6976 1.8542 1.8542 2.0114 2.0114 2.3367 2.3367 4.3479 4.3479 4.7301 4.7301 5.7602 5.7602 6.1301 6.1301 k = 0.0000 0.2588 0.2085 ( 5924 PWs) bands (ev): -10.8808 -10.8808 -10.0772 -10.0772 -9.3148 -9.3148 -9.2079 -9.2079 -7.2493 -7.2493 -4.9985 -4.9985 -1.6887 -1.6887 -1.1678 -1.1678 -0.7462 -0.7462 -0.2799 -0.2799 0.4674 0.4674 0.7358 0.7358 0.8924 0.8924 1.2258 1.2258 1.5827 1.5827 1.6936 1.6936 1.8452 1.8452 2.0050 2.0050 2.3413 2.3413 4.3624 4.3624 4.7186 4.7186 5.7659 5.7659 6.1351 6.1351 k = 0.0000 0.2700 0.2175 ( 5920 PWs) bands (ev): -10.8757 -10.8757 -10.0784 -10.0784 -9.3210 -9.3210 -9.2151 -9.2151 -7.2385 -7.2385 -4.9933 -4.9933 -1.6915 -1.6915 -1.1600 -1.1600 -0.7332 -0.7332 -0.2947 -0.2947 0.4570 0.4570 0.7370 0.7370 0.8846 0.8846 1.2169 1.2169 1.5939 1.5939 1.6885 1.6885 1.8379 1.8379 1.9994 1.9994 2.3465 2.3465 4.3773 4.3773 4.7053 4.7053 5.7710 5.7710 6.1392 6.1392 k = 0.0000 0.2813 0.2266 ( 5917 PWs) bands (ev): -10.8714 -10.8714 -10.0794 -10.0794 -9.3261 -9.3261 -9.2211 -9.2211 -7.2296 -7.2296 -4.9889 -4.9889 -1.6938 -1.6938 -1.1548 -1.1548 -0.7189 -0.7189 -0.3091 -0.3091 0.4476 0.4476 0.7384 0.7384 0.8778 0.8778 1.2094 1.2094 1.6048 1.6048 1.6821 1.6821 1.8323 1.8323 1.9949 1.9949 2.3519 2.3519 4.3922 4.3922 4.6910 4.6910 5.7755 5.7755 6.1426 6.1426 k = 0.0000 0.2925 0.2357 ( 5914 PWs) bands (ev): -10.8680 -10.8680 -10.0801 -10.0801 -9.3302 -9.3302 -9.2259 -9.2259 -7.2225 -7.2225 -4.9855 -4.9855 -1.6956 -1.6956 -1.1516 -1.1516 -0.7049 -0.7049 -0.3222 -0.3222 0.4395 0.4395 0.7397 0.7397 0.8722 0.8722 1.2035 1.2035 1.6154 1.6154 1.6746 1.6746 1.8283 1.8283 1.9913 1.9913 2.3568 2.3568 4.4061 4.4061 4.6770 4.6770 5.7792 5.7792 6.1451 6.1451 k = 0.0000 0.3038 0.2447 ( 5917 PWs) bands (ev): -10.8655 -10.8655 -10.0807 -10.0807 -9.3331 -9.3331 -9.2293 -9.2293 -7.2174 -7.2174 -4.9830 -4.9830 -1.6969 -1.6969 -1.1498 -1.1498 -0.6930 -0.6930 -0.3328 -0.3328 0.4334 0.4334 0.7409 0.7409 0.8680 0.8680 1.1992 1.1992 1.6260 1.6260 1.6660 1.6660 1.8257 1.8257 1.9888 1.9888 2.3607 2.3607 4.4178 4.4178 4.6650 4.6650 5.7819 5.7819 6.1469 6.1469 k = 0.0000 0.3150 0.2538 ( 5922 PWs) bands (ev): -10.8640 -10.8640 -10.0811 -10.0811 -9.3349 -9.3349 -9.2314 -9.2314 -7.2143 -7.2143 -4.9815 -4.9815 -1.6976 -1.6976 -1.1489 -1.1489 -0.6849 -0.6849 -0.3399 -0.3399 0.4296 0.4296 0.7417 0.7417 0.8654 0.8654 1.1966 1.1966 1.6364 1.6364 1.6566 1.6566 1.8242 1.8242 1.9873 1.9873 2.3632 2.3632 4.4257 4.4257 4.6568 4.6568 5.7836 5.7836 6.1479 6.1479 k = 0.0000 0.3263 0.2629 ( 5922 PWs) bands (ev): -10.8635 -10.8635 -10.0812 -10.0812 -9.3355 -9.3355 -9.2321 -9.2321 -7.2133 -7.2133 -4.9810 -4.9810 -1.6979 -1.6979 -1.1486 -1.1486 -0.6821 -0.6821 -0.3424 -0.3424 0.4283 0.4283 0.7420 0.7420 0.8646 0.8646 1.1958 1.1958 1.6458 1.6458 1.6476 1.6476 1.8238 1.8238 1.9869 1.9869 2.3641 2.3641 4.4285 4.4285 4.6538 4.6538 5.7842 5.7842 6.1483 6.1483 k = 0.5000 0.2542 0.2121 ( 5918 PWs) bands (ev): -10.7560 -10.7560 -9.9754 -9.9754 -9.1210 -9.1210 -9.1021 -9.1021 -7.3752 -7.3752 -5.2729 -5.2729 -1.9801 -1.9801 -1.2981 -1.2981 -1.2796 -1.2796 -0.5867 -0.5867 0.0480 0.0480 0.3340 0.3340 0.5583 0.5583 1.1574 1.1574 1.1721 1.1721 1.5199 1.5199 1.8890 1.8890 2.1425 2.1425 2.8029 2.8029 3.9485 3.9485 5.0406 5.0406 5.7421 5.7421 6.1961 6.1961 k = 0.4881 0.2482 0.2070 ( 5921 PWs) bands (ev): -10.7564 -10.7564 -9.9755 -9.9755 -9.1212 -9.1212 -9.1019 -9.1019 -7.3754 -7.3754 -5.2724 -5.2724 -1.9796 -1.9796 -1.2992 -1.2992 -1.2783 -1.2783 -0.5870 -0.5870 0.0464 0.0464 0.3342 0.3342 0.5613 0.5613 1.1510 1.1510 1.1794 1.1794 1.5213 1.5213 1.8889 1.8889 2.1435 2.1435 2.8022 2.8022 3.9492 3.9492 5.0404 5.0404 5.7429 5.7429 6.1951 6.1951 k = 0.4762 0.2421 0.2020 ( 5920 PWs) bands (ev): -10.7575 -10.7575 -9.9757 -9.9757 -9.1217 -9.1217 -9.1013 -9.1013 -7.3760 -7.3760 -5.2710 -5.2710 -1.9782 -1.9782 -1.3018 -1.3018 -1.2751 -1.2751 -0.5877 -0.5877 0.0417 0.0417 0.3349 0.3349 0.5701 0.5701 1.1412 1.1412 1.1915 1.1915 1.5256 1.5256 1.8888 1.8888 2.1465 2.1465 2.8003 2.8003 3.9514 3.9514 5.0396 5.0396 5.7451 5.7451 6.1920 6.1920 k = 0.4643 0.2361 0.1969 ( 5924 PWs) bands (ev): -10.7594 -10.7594 -9.9762 -9.9762 -9.1226 -9.1226 -9.1002 -9.1002 -7.3769 -7.3769 -5.2688 -5.2688 -1.9758 -1.9758 -1.3051 -1.3051 -1.2709 -1.2709 -0.5889 -0.5889 0.0342 0.0342 0.3367 0.3367 0.5836 0.5836 1.1322 1.1322 1.2044 1.2044 1.5327 1.5327 1.8887 1.8887 2.1515 2.1515 2.7971 2.7971 3.9550 3.9550 5.0384 5.0384 5.7487 5.7487 6.1869 6.1869 k = 0.4524 0.2300 0.1919 ( 5927 PWs) bands (ev): -10.7620 -10.7620 -9.9767 -9.9767 -9.1236 -9.1236 -9.0989 -9.0989 -7.3782 -7.3782 -5.2657 -5.2657 -1.9725 -1.9725 -1.3085 -1.3085 -1.2662 -1.2662 -0.5905 -0.5905 0.0243 0.0243 0.3402 0.3402 0.6006 0.6006 1.1248 1.1248 1.2176 1.2176 1.5424 1.5424 1.8887 1.8887 2.1582 2.1582 2.7927 2.7927 3.9600 3.9600 5.0366 5.0366 5.7534 5.7534 6.1801 6.1801 k = 0.4405 0.2240 0.1868 ( 5926 PWs) bands (ev): -10.7654 -10.7654 -9.9775 -9.9775 -9.1248 -9.1248 -9.0973 -9.0973 -7.3799 -7.3799 -5.2619 -5.2619 -1.9682 -1.9682 -1.3117 -1.3117 -1.2614 -1.2614 -0.5923 -0.5923 0.0126 0.0126 0.3458 0.3458 0.6200 0.6200 1.1194 1.1194 1.2309 1.2309 1.5546 1.5546 1.8890 1.8890 2.1664 2.1664 2.7871 2.7871 3.9663 3.9663 5.0343 5.0343 5.7589 5.7589 6.1717 6.1717 k = 0.4286 0.2179 0.1818 ( 5921 PWs) bands (ev): -10.7694 -10.7694 -9.9784 -9.9784 -9.1261 -9.1261 -9.0955 -9.0955 -7.3819 -7.3819 -5.2572 -5.2572 -1.9630 -1.9630 -1.3145 -1.3145 -1.2565 -1.2565 -0.5943 -0.5943 -0.0002 -0.0002 0.3535 0.3535 0.6406 0.6406 1.1164 1.1164 1.2441 1.2441 1.5689 1.5689 1.8897 1.8897 2.1760 2.1760 2.7805 2.7805 3.9738 3.9738 5.0313 5.0313 5.7648 5.7648 6.1619 6.1619 k = 0.4167 0.2119 0.1767 ( 5919 PWs) bands (ev): -10.7742 -10.7742 -9.9794 -9.9794 -9.1274 -9.1274 -9.0935 -9.0935 -7.3844 -7.3844 -5.2520 -5.2520 -1.9570 -1.9570 -1.3167 -1.3167 -1.2517 -1.2517 -0.5963 -0.5963 -0.0134 -0.0134 0.3634 0.3634 0.6615 0.6615 1.1159 1.1159 1.2572 1.2572 1.5850 1.5850 1.8911 1.8911 2.1867 2.1867 2.7730 2.7730 3.9825 3.9825 5.0275 5.0275 5.7706 5.7706 6.1510 6.1510 k = 0.4048 0.2058 0.1717 ( 5918 PWs) bands (ev): -10.7795 -10.7795 -9.9806 -9.9806 -9.1287 -9.1287 -9.0913 -9.0913 -7.3873 -7.3873 -5.2461 -5.2461 -1.9500 -1.9500 -1.3183 -1.3183 -1.2472 -1.2472 -0.5981 -0.5981 -0.0263 -0.0263 0.3752 0.3752 0.6821 0.6821 1.1183 1.1183 1.2702 1.2702 1.6026 1.6026 1.8934 1.8934 2.1981 2.1981 2.7646 2.7646 3.9922 3.9922 5.0228 5.0228 5.7756 5.7756 6.1393 6.1393 k = 0.3929 0.1998 0.1666 ( 5923 PWs) bands (ev): -10.7855 -10.7855 -9.9820 -9.9820 -9.1301 -9.1301 -9.0890 -9.0890 -7.3906 -7.3906 -5.2398 -5.2398 -1.9423 -1.9423 -1.3190 -1.3190 -1.2432 -1.2432 -0.5994 -0.5994 -0.0383 -0.0383 0.3884 0.3884 0.7019 0.7019 1.1236 1.1236 1.2831 1.2831 1.6213 1.6213 1.8967 1.8967 2.2100 2.2100 2.7555 2.7555 4.0028 4.0028 5.0171 5.0171 5.7794 5.7794 6.1272 6.1272 k = 0.3810 0.1937 0.1616 ( 5926 PWs) bands (ev): -10.7920 -10.7920 -9.9835 -9.9835 -9.1314 -9.1314 -9.0865 -9.0865 -7.3943 -7.3943 -5.2330 -5.2330 -1.9337 -1.9337 -1.3187 -1.3187 -1.2398 -1.2398 -0.6001 -0.6001 -0.0488 -0.0488 0.4027 0.4027 0.7207 0.7207 1.1318 1.1318 1.2959 1.2959 1.6406 1.6406 1.9014 1.9014 2.2220 2.2220 2.7459 2.7459 4.0142 4.0142 5.0103 5.0103 5.7814 5.7814 6.1148 6.1148 k = 0.3690 0.1876 0.1565 ( 5917 PWs) bands (ev): -10.7991 -10.7991 -9.9851 -9.9851 -9.1326 -9.1326 -9.0839 -9.0839 -7.3984 -7.3984 -5.2260 -5.2260 -1.9243 -1.9243 -1.3174 -1.3174 -1.2372 -1.2372 -0.5999 -0.5999 -0.0574 -0.0574 0.4176 0.4176 0.7386 0.7386 1.1427 1.1427 1.3087 1.3087 1.6599 1.6599 1.9077 1.9077 2.2338 2.2338 2.7359 2.7359 4.0261 4.0261 5.0022 5.0022 5.7809 5.7809 6.1027 6.1027 k = 0.3571 0.1816 0.1515 ( 5915 PWs) bands (ev): -10.8067 -10.8067 -9.9869 -9.9869 -9.1338 -9.1338 -9.0811 -9.0811 -7.4029 -7.4029 -5.2188 -5.2188 -1.9142 -1.9142 -1.3150 -1.3150 -1.2354 -1.2354 -0.5986 -0.5986 -0.0637 -0.0637 0.4325 0.4325 0.7557 0.7557 1.1560 1.1560 1.3216 1.3216 1.6789 1.6789 1.9159 1.9159 2.2450 2.2450 2.7257 2.7257 4.0384 4.0384 4.9927 4.9927 5.7776 5.7776 6.0910 6.0910 k = 0.3452 0.1755 0.1464 ( 5914 PWs) bands (ev): -10.8147 -10.8147 -9.9887 -9.9887 -9.1348 -9.1348 -9.0782 -9.0782 -7.4079 -7.4079 -5.2114 -5.2114 -1.9034 -1.9034 -1.3115 -1.3115 -1.2344 -1.2344 -0.5959 -0.5959 -0.0673 -0.0673 0.4469 0.4469 0.7725 0.7725 1.1713 1.1713 1.3347 1.3347 1.6970 1.6970 1.9262 1.9262 2.2552 2.2552 2.7155 2.7155 4.0509 4.0509 4.9816 4.9816 5.7713 5.7713 6.0803 6.0803 k = 0.3333 0.1695 0.1414 ( 5913 PWs) bands (ev): -10.8231 -10.8231 -9.9907 -9.9907 -9.1358 -9.1358 -9.0752 -9.0752 -7.4133 -7.4133 -5.2041 -5.2041 -1.8920 -1.8920 -1.3073 -1.3073 -1.2340 -1.2340 -0.5917 -0.5917 -0.0681 -0.0681 0.4604 0.4604 0.7893 0.7893 1.1882 1.1882 1.3480 1.3480 1.7137 1.7137 1.9387 1.9387 2.2641 2.2641 2.7053 2.7053 4.0634 4.0634 4.9690 4.9690 5.7619 5.7619 6.0708 6.0708 k = 0.3214 0.1634 0.1363 ( 5914 PWs) bands (ev): -10.8318 -10.8318 -9.9928 -9.9928 -9.1366 -9.1366 -9.0720 -9.0720 -7.4191 -7.4191 -5.1969 -5.1969 -1.8799 -1.8799 -1.3028 -1.3028 -1.2337 -1.2337 -0.5857 -0.5857 -0.0656 -0.0656 0.4724 0.4724 0.8066 0.8066 1.2062 1.2062 1.3616 1.3616 1.7289 1.7289 1.9533 1.9533 2.2713 2.2713 2.6952 2.6952 4.0756 4.0756 4.9548 4.9548 5.7499 5.7499 6.0628 6.0628 k = 0.3095 0.1574 0.1313 ( 5916 PWs) bands (ev): -10.8409 -10.8409 -9.9950 -9.9950 -9.1373 -9.1373 -9.0687 -9.0687 -7.4252 -7.4252 -5.1899 -5.1899 -1.8673 -1.8673 -1.2991 -1.2991 -1.2323 -1.2323 -0.5779 -0.5779 -0.0599 -0.0599 0.4828 0.4828 0.8246 0.8246 1.2248 1.2248 1.3757 1.3757 1.7425 1.7425 1.9700 1.9700 2.2766 2.2766 2.6854 2.6854 4.0874 4.0874 4.9389 4.9389 5.7358 5.7358 6.0564 6.0564 k = 0.2976 0.1513 0.1262 ( 5919 PWs) bands (ev): -10.8501 -10.8501 -9.9973 -9.9973 -9.1378 -9.1378 -9.0653 -9.0653 -7.4318 -7.4318 -5.1832 -5.1832 -1.8541 -1.8541 -1.2977 -1.2977 -1.2282 -1.2282 -0.5683 -0.5683 -0.0509 -0.0509 0.4912 0.4912 0.8434 0.8434 1.2436 1.2436 1.3904 1.3904 1.7544 1.7544 1.9882 1.9882 2.2797 2.2797 2.6758 2.6758 4.0986 4.0986 4.9215 4.9215 5.7204 5.7204 6.0516 6.0516 k = 0.2857 0.1453 0.1212 ( 5918 PWs) bands (ev): -10.8596 -10.8596 -9.9996 -9.9996 -9.1381 -9.1381 -9.0618 -9.0618 -7.4387 -7.4387 -5.1768 -5.1768 -1.8405 -1.8405 -1.2999 -1.2999 -1.2200 -1.2200 -0.5567 -0.5567 -0.0384 -0.0384 0.4975 0.4975 0.8632 0.8632 1.2623 1.2623 1.4059 1.4059 1.7648 1.7648 2.0075 2.0075 2.2804 2.2804 2.6664 2.6664 4.1091 4.1091 4.9027 4.9027 5.7045 5.7045 6.0482 6.0482 k = 0.2738 0.1392 0.1161 ( 5920 PWs) bands (ev): -10.8692 -10.8692 -10.0020 -10.0020 -9.1382 -9.1382 -9.0583 -9.0583 -7.4459 -7.4459 -5.1709 -5.1709 -1.8266 -1.8266 -1.3058 -1.3058 -1.2074 -1.2074 -0.5433 -0.5433 -0.0226 -0.0226 0.5019 0.5019 0.8836 0.8836 1.2805 1.2805 1.4222 1.4222 1.7739 1.7739 2.0274 2.0274 2.2788 2.2788 2.6569 2.6569 4.1187 4.1187 4.8826 4.8826 5.6890 5.6890 6.0460 6.0460 k = 0.2619 0.1332 0.1111 ( 5914 PWs) bands (ev): -10.8788 -10.8788 -10.0044 -10.0044 -9.1382 -9.1382 -9.0546 -9.0546 -7.4534 -7.4534 -5.1654 -5.1654 -1.8122 -1.8122 -1.3149 -1.3149 -1.1908 -1.1908 -0.5281 -0.5281 -0.0035 -0.0035 0.5043 0.5043 0.9046 0.9046 1.2979 1.2979 1.4396 1.4396 1.7819 1.7819 2.0471 2.0471 2.2749 2.2749 2.6474 2.6474 4.1273 4.1273 4.8616 4.8616 5.6746 5.6746 6.0449 6.0449 k = 0.2500 0.1271 0.1060 ( 5919 PWs) bands (ev): -10.8885 -10.8885 -10.0069 -10.0069 -9.1380 -9.1380 -9.0510 -9.0510 -7.4611 -7.4611 -5.1605 -5.1605 -1.7977 -1.7977 -1.3264 -1.3264 -1.1708 -1.1708 -0.5113 -0.5113 0.0188 0.0188 0.5050 0.5050 0.9259 0.9259 1.3143 1.3143 1.4581 1.4581 1.7890 1.7890 2.0660 2.0660 2.2690 2.2690 2.6376 2.6376 4.1351 4.1351 4.8397 4.8397 5.6619 5.6619 6.0444 6.0444 k = 0.2381 0.1211 0.1010 ( 5919 PWs) bands (ev): -10.8981 -10.8981 -10.0094 -10.0094 -9.1376 -9.1376 -9.0473 -9.0473 -7.4691 -7.4691 -5.1561 -5.1561 -1.7829 -1.7829 -1.3396 -1.3396 -1.1479 -1.1479 -0.4931 -0.4931 0.0440 0.0440 0.5042 0.5042 0.9470 0.9470 1.3295 1.3295 1.4778 1.4778 1.7951 1.7951 2.0836 2.0836 2.2612 2.2612 2.6273 2.6273 4.1419 4.1419 4.8173 4.8173 5.6513 5.6513 6.0443 6.0443 k = 0.2262 0.1150 0.0959 ( 5920 PWs) bands (ev): -10.9077 -10.9077 -10.0118 -10.0118 -9.1370 -9.1370 -9.0436 -9.0436 -7.4772 -7.4772 -5.1522 -5.1522 -1.7681 -1.7681 -1.3541 -1.3541 -1.1223 -1.1223 -0.4736 -0.4736 0.0721 0.0721 0.5020 0.5020 0.9676 0.9676 1.3434 1.3434 1.4986 1.4986 1.8003 1.8003 2.0989 2.0989 2.2525 2.2525 2.6166 2.6166 4.1480 4.1480 4.7947 4.7947 5.6430 5.6430 6.0444 6.0444 k = 0.2143 0.1090 0.0909 ( 5921 PWs) bands (ev): -10.9171 -10.9171 -10.0143 -10.0143 -9.1363 -9.1363 -9.0400 -9.0400 -7.4854 -7.4854 -5.1489 -5.1489 -1.7532 -1.7532 -1.3694 -1.3694 -1.0943 -1.0943 -0.4530 -0.4530 0.1027 0.1027 0.4989 0.4989 0.9875 0.9875 1.3560 1.3560 1.5203 1.5203 1.8044 1.8044 2.1109 2.1109 2.2437 2.2437 2.6052 2.6052 4.1534 4.1534 4.7720 4.7720 5.6369 5.6369 6.0444 6.0444 k = 0.2024 0.1029 0.0858 ( 5920 PWs) bands (ev): -10.9263 -10.9263 -10.0167 -10.0167 -9.1353 -9.1353 -9.0364 -9.0364 -7.4936 -7.4936 -5.1462 -5.1462 -1.7384 -1.7384 -1.3853 -1.3853 -1.0642 -1.0642 -0.4316 -0.4316 0.1355 0.1355 0.4950 0.4950 1.0064 1.0064 1.3673 1.3673 1.5426 1.5426 1.8071 1.8071 2.1185 2.1185 2.2364 2.2364 2.5932 2.5932 4.1583 4.1583 4.7497 4.7497 5.6330 5.6330 6.0441 6.0441 k = 0.1905 0.0968 0.0808 ( 5929 PWs) bands (ev): -10.9352 -10.9352 -10.0191 -10.0191 -9.1343 -9.1343 -9.0328 -9.0328 -7.5019 -7.5019 -5.1441 -5.1441 -1.7238 -1.7238 -1.4015 -1.4015 -1.0321 -1.0321 -0.4097 -0.4097 0.1702 0.1702 0.4906 0.4906 1.0240 1.0240 1.3774 1.3774 1.5651 1.5651 1.8083 1.8083 2.1206 2.1206 2.2322 2.2322 2.5806 2.5806 4.1629 4.1629 4.7278 4.7278 5.6308 5.6308 6.0434 6.0434 k = 0.1786 0.0908 0.0757 ( 5930 PWs) bands (ev): -10.9439 -10.9439 -10.0215 -10.0215 -9.1331 -9.1331 -9.0294 -9.0294 -7.5100 -7.5100 -5.1424 -5.1424 -1.7095 -1.7095 -1.4178 -1.4178 -0.9983 -0.9983 -0.3873 -0.3873 0.2062 0.2062 0.4862 0.4862 1.0404 1.0404 1.3862 1.3862 1.5872 1.5872 1.8073 1.8073 2.1174 2.1174 2.2316 2.2316 2.5674 2.5674 4.1673 4.1673 4.7068 4.7068 5.6301 5.6301 6.0421 6.0421 k = 0.1667 0.0847 0.0707 ( 5925 PWs) bands (ev): -10.9522 -10.9522 -10.0237 -10.0237 -9.1318 -9.1318 -9.0261 -9.0261 -7.5180 -7.5180 -5.1412 -5.1412 -1.6955 -1.6955 -1.4338 -1.4338 -0.9631 -0.9631 -0.3649 -0.3649 0.2429 0.2429 0.4824 0.4824 1.0554 1.0554 1.3937 1.3937 1.6083 1.6083 1.8039 1.8039 2.1106 2.1106 2.2339 2.2339 2.5538 2.5538 4.1717 4.1717 4.6868 4.6868 5.6302 5.6302 6.0401 6.0401 k = 0.1548 0.0787 0.0656 ( 5925 PWs) bands (ev): -10.9602 -10.9602 -10.0259 -10.0259 -9.1304 -9.1304 -9.0229 -9.0229 -7.5259 -7.5259 -5.1404 -5.1404 -1.6819 -1.6819 -1.4495 -1.4495 -0.9268 -0.9268 -0.3427 -0.3427 0.2792 0.2792 0.4799 0.4799 1.0689 1.0689 1.3999 1.3999 1.6271 1.6271 1.7981 1.7981 2.1026 2.1026 2.2380 2.2380 2.5396 2.5396 4.1762 4.1762 4.6679 4.6679 5.6307 5.6307 6.0375 6.0375 k = 0.1429 0.0726 0.0606 ( 5928 PWs) bands (ev): -10.9677 -10.9677 -10.0280 -10.0280 -9.1290 -9.1290 -9.0199 -9.0199 -7.5334 -7.5334 -5.1400 -5.1400 -1.6689 -1.6689 -1.4646 -1.4646 -0.8896 -0.8896 -0.3210 -0.3210 0.3135 0.3135 0.4802 0.4802 1.0810 1.0810 1.4049 1.4049 1.6420 1.6420 1.7909 1.7909 2.0956 2.0956 2.2425 2.2425 2.5252 2.5252 4.1807 4.1807 4.6504 4.6504 5.6312 5.6312 6.0341 6.0341 k = 0.1310 0.0666 0.0555 ( 5928 PWs) bands (ev): -10.9748 -10.9748 -10.0299 -10.0299 -9.1275 -9.1275 -9.0170 -9.0170 -7.5406 -7.5406 -5.1399 -5.1399 -1.6566 -1.6566 -1.4791 -1.4791 -0.8521 -0.8521 -0.2999 -0.2999 0.3432 0.3432 0.4856 0.4856 1.0919 1.0919 1.4085 1.4085 1.6499 1.6499 1.7846 1.7846 2.0910 2.0910 2.2468 2.2468 2.5105 2.5105 4.1853 4.1853 4.6344 4.6344 5.6314 5.6314 6.0301 6.0301 k = 0.1190 0.0605 0.0505 ( 5925 PWs) bands (ev): -10.9814 -10.9814 -10.0317 -10.0317 -9.1260 -9.1260 -9.0144 -9.0144 -7.5475 -7.5475 -5.1401 -5.1401 -1.6449 -1.6449 -1.4927 -1.4927 -0.8147 -0.8147 -0.2799 -0.2799 0.3651 0.3651 0.4991 0.4991 1.1016 1.1016 1.4108 1.4108 1.6479 1.6479 1.7825 1.7825 2.0893 2.0893 2.2504 2.2504 2.4958 2.4958 4.1901 4.1901 4.6198 4.6198 5.6309 5.6309 6.0255 6.0255 k = 0.1071 0.0545 0.0454 ( 5920 PWs) bands (ev): -10.9874 -10.9874 -10.0334 -10.0334 -9.1245 -9.1245 -9.0119 -9.0119 -7.5539 -7.5539 -5.1405 -5.1405 -1.6341 -1.6341 -1.5054 -1.5054 -0.7778 -0.7778 -0.2612 -0.2612 0.3776 0.3776 0.5219 0.5219 1.1101 1.1101 1.4117 1.4117 1.6350 1.6350 1.7863 1.7863 2.0905 2.0905 2.2532 2.2532 2.4813 2.4813 4.1950 4.1950 4.6066 4.6066 5.6298 5.6298 6.0205 6.0205 k = 0.0952 0.0484 0.0404 ( 5918 PWs) bands (ev): -10.9929 -10.9929 -10.0350 -10.0350 -9.1231 -9.1231 -9.0097 -9.0097 -7.5598 -7.5598 -5.1410 -5.1410 -1.6241 -1.6241 -1.5171 -1.5171 -0.7421 -0.7421 -0.2439 -0.2439 0.3827 0.3827 0.5514 0.5514 1.1178 1.1178 1.4112 1.4112 1.6135 1.6135 1.7945 1.7945 2.0941 2.0941 2.2552 2.2552 2.4671 2.4671 4.1999 4.1999 4.5950 4.5950 5.6279 5.6279 6.0151 6.0151 k = 0.0833 0.0424 0.0353 ( 5924 PWs) bands (ev): -10.9979 -10.9979 -10.0364 -10.0364 -9.1217 -9.1217 -9.0078 -9.0078 -7.5651 -7.5651 -5.1416 -5.1416 -1.6151 -1.6151 -1.5276 -1.5276 -0.7082 -0.7082 -0.2284 -0.2284 0.3835 0.3835 0.5841 0.5841 1.1246 1.1246 1.4097 1.4097 1.5871 1.5871 1.8048 1.8048 2.0995 2.0995 2.2563 2.2563 2.4536 2.4536 4.2048 4.2048 4.5848 4.5848 5.6254 5.6254 6.0097 6.0097 k = 0.0714 0.0363 0.0303 ( 5924 PWs) bands (ev): -11.0022 -11.0022 -10.0376 -10.0376 -9.1205 -9.1205 -9.0061 -9.0061 -7.5698 -7.5698 -5.1423 -5.1423 -1.6071 -1.6071 -1.5370 -1.5370 -0.6766 -0.6766 -0.2147 -0.2147 0.3820 0.3820 0.6173 0.6173 1.1307 1.1307 1.4071 1.4071 1.5586 1.5586 1.8154 1.8154 2.1060 2.1060 2.2568 2.2568 2.4411 2.4411 4.2095 4.2095 4.5759 4.5759 5.6226 5.6226 6.0043 6.0043 k = 0.0595 0.0303 0.0252 ( 5920 PWs) bands (ev): -11.0058 -11.0058 -10.0386 -10.0386 -9.1194 -9.1194 -9.0046 -9.0046 -7.5739 -7.5739 -5.1429 -5.1429 -1.6001 -1.6001 -1.5451 -1.5451 -0.6482 -0.6482 -0.2031 -0.2031 0.3797 0.3797 0.6488 0.6488 1.1361 1.1361 1.4040 1.4040 1.5304 1.5304 1.8253 1.8253 2.1127 2.1127 2.2567 2.2567 2.4297 2.4297 4.2138 4.2138 4.5684 4.5684 5.6196 5.6196 5.9993 5.9993 k = 0.0476 0.0242 0.0202 ( 5920 PWs) bands (ev): -11.0089 -11.0089 -10.0395 -10.0395 -9.1185 -9.1185 -9.0034 -9.0034 -7.5772 -7.5772 -5.1435 -5.1435 -1.5941 -1.5941 -1.5520 -1.5520 -0.6236 -0.6236 -0.1936 -0.1936 0.3771 0.3771 0.6772 0.6772 1.1408 1.1408 1.4007 1.4007 1.5041 1.5041 1.8338 1.8338 2.1192 2.1192 2.2564 2.2564 2.4199 2.4199 4.2177 4.2177 4.5623 4.5623 5.6167 5.6167 5.9949 5.9949 k = 0.0357 0.0182 0.0151 ( 5920 PWs) bands (ev): -11.0113 -11.0113 -10.0402 -10.0402 -9.1177 -9.1177 -9.0025 -9.0025 -7.5799 -7.5799 -5.1440 -5.1440 -1.5893 -1.5893 -1.5576 -1.5576 -0.6036 -0.6036 -0.1862 -0.1862 0.3748 0.3748 0.7010 0.7010 1.1448 1.1448 1.3978 1.3978 1.4814 1.4814 1.8408 1.8408 2.1248 2.1248 2.2559 2.2559 2.4119 2.4119 4.2209 4.2209 4.5575 4.5575 5.6142 5.6142 5.9912 5.9912 k = 0.0238 0.0121 0.0101 ( 5927 PWs) bands (ev): -11.0130 -11.0130 -10.0406 -10.0406 -9.1172 -9.1172 -9.0018 -9.0018 -7.5818 -7.5818 -5.1443 -5.1443 -1.5855 -1.5855 -1.5618 -1.5618 -0.5888 -0.5888 -0.1810 -0.1810 0.3729 0.3729 0.7190 0.7190 1.1477 1.1477 1.3956 1.3956 1.4637 1.4637 1.8458 1.8458 2.1292 2.1292 2.2555 2.2555 2.4060 2.4060 4.2234 4.2234 4.5540 4.5540 5.6122 5.6122 5.9884 5.9884 k = 0.0119 0.0061 0.0050 ( 5933 PWs) bands (ev): -11.0140 -11.0140 -10.0409 -10.0409 -9.1168 -9.1168 -9.0014 -9.0014 -7.5830 -7.5830 -5.1446 -5.1446 -1.5830 -1.5830 -1.5646 -1.5646 -0.5797 -0.5797 -0.1779 -0.1779 0.3718 0.3718 0.7303 0.7303 1.1496 1.1496 1.3944 1.3944 1.4522 1.4522 1.8489 1.8489 2.1319 2.1319 2.2552 2.2552 2.4023 2.4023 4.2249 4.2249 4.5519 4.5519 5.6110 5.6110 5.9867 5.9867 k = 0.0000 0.0000 0.0000 ( 5929 PWs) bands (ev): -11.0143 -11.0143 -10.0410 -10.0410 -9.1167 -9.1167 -9.0012 -9.0012 -7.5834 -7.5834 -5.1447 -5.1447 -1.5821 -1.5821 -1.5656 -1.5656 -0.5766 -0.5766 -0.1769 -0.1769 0.3714 0.3714 0.7342 0.7342 1.1502 1.1502 1.3940 1.3940 1.4482 1.4482 1.8499 1.8499 2.1328 2.1328 2.2551 2.2551 2.4011 2.4011 4.2254 4.2254 4.5512 4.5512 5.6106 5.6106 5.9861 5.9861 Writing output data file PI2.save init_run : 0.20s CPU 0.30s WALL ( 1 calls) electrons : 139.62s CPU 141.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 139.62s CPU 141.43s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 238 calls) cegterg : 127.92s CPU 129.36s WALL ( 238 calls) Called by sum_band: Called by *egterg: h_psi : 69.50s CPU 71.12s WALL ( 4314 calls) s_psi : 4.02s CPU 4.10s WALL ( 4314 calls) g_psi : 0.10s CPU 0.10s WALL ( 3838 calls) cdiaghg : 51.08s CPU 51.31s WALL ( 4076 calls) cegterg:over : 5.27s CPU 5.07s WALL ( 3838 calls) cegterg:upda : 2.82s CPU 2.87s WALL ( 3838 calls) cegterg:last : 1.77s CPU 1.76s WALL ( 714 calls) cdiaghg:chol : 1.79s CPU 1.93s WALL ( 4076 calls) cdiaghg:inve : 1.00s CPU 1.10s WALL ( 4076 calls) cdiaghg:para : 2.86s CPU 2.90s WALL ( 8152 calls) Called by h_psi: h_psi:vloc : 60.35s CPU 61.81s WALL ( 4314 calls) h_psi:vnl : 9.04s CPU 9.22s WALL ( 4314 calls) add_vuspsi : 4.84s CPU 4.86s WALL ( 4314 calls) General routines calbec : 4.18s CPU 4.35s WALL ( 4314 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 58.82s CPU 60.29s WALL ( 453892 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.10s WALL ( 476 calls) Parallel routines fft_scatter : 44.24s CPU 45.55s WALL ( 453915 calls) PWSCF : 2m44.42s CPU 2m55.14s WALL This run was terminated on: 1:13:31 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=