Program PWSCF v.5.4.0 starts on 21Mar2017 at 22:37: 6 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 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: ./CsICl2.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 band group 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 20 20 5 582 582 86 Max 21 21 6 589 589 94 Sum 1477 1477 427 42099 42099 6617 bravais-lattice index = 14 lattice parameter (alat) = 7.6723 a.u. unit-cell volume = 435.5897 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.672288 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.145565 celldm(5)= -0.145565 celldm(6)= -0.145565 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.145565 0.989349 0.000000 ) a(3) = ( -0.145565 -0.168549 0.974886 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.147132 0.174753 ) b(2) = ( 0.000000 1.010766 0.174753 ) b(3) = ( 0.000000 0.000000 1.025761 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 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 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. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) I 7.00 126.90450 I( 1.00) Cs 9.00 132.90550 Cs( 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= 404 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0070398 -0.0081513 0.0068630), wk = 0.0024752 k( 3) = ( 0.0140795 -0.0163027 0.0137259), wk = 0.0024752 k( 4) = ( 0.0211193 -0.0244540 0.0205889), wk = 0.0024752 k( 5) = ( 0.0281591 -0.0326054 0.0274519), wk = 0.0024752 k( 6) = ( 0.0351989 -0.0407567 0.0343149), wk = 0.0024752 k( 7) = ( 0.0422386 -0.0489080 0.0411778), wk = 0.0024752 k( 8) = ( 0.0492784 -0.0570594 0.0480408), wk = 0.0024752 k( 9) = ( 0.0563182 -0.0652107 0.0549038), wk = 0.0024752 k( 10) = ( 0.0633579 -0.0733621 0.0617667), wk = 0.0024752 k( 11) = ( 0.0703977 -0.0815134 0.0686297), wk = 0.0024752 k( 12) = ( 0.0774375 -0.0896647 0.0754927), wk = 0.0024752 k( 13) = ( 0.0844773 -0.0978161 0.0823557), wk = 0.0024752 k( 14) = ( 0.0915170 -0.1059674 0.0892186), wk = 0.0024752 k( 15) = ( 0.0985568 -0.1141187 0.0960816), wk = 0.0024752 k( 16) = ( 0.1055966 -0.1222701 0.1029446), wk = 0.0024752 k( 17) = ( 0.1126363 -0.1304214 0.1098076), wk = 0.0024752 k( 18) = ( 0.1196761 -0.1385728 0.1166705), wk = 0.0024752 k( 19) = ( 0.1267159 -0.1467241 0.1235335), wk = 0.0024752 k( 20) = ( 0.1337557 -0.1548754 0.1303965), wk = 0.0024752 k( 21) = ( 0.1407954 -0.1630268 0.1372594), wk = 0.0024752 k( 22) = ( 0.1478352 -0.1711781 0.1441224), wk = 0.0024752 k( 23) = ( 0.1548750 -0.1793294 0.1509854), wk = 0.0024752 k( 24) = ( 0.1619147 -0.1874808 0.1578484), wk = 0.0024752 k( 25) = ( 0.1689545 -0.1956321 0.1647113), wk = 0.0024752 k( 26) = ( 0.1759943 -0.2037835 0.1715743), wk = 0.0024752 k( 27) = ( 0.1830341 -0.2119348 0.1784373), wk = 0.0024752 k( 28) = ( 0.1900738 -0.2200861 0.1853002), wk = 0.0024752 k( 29) = ( 0.1971136 -0.2282375 0.1921632), wk = 0.0024752 k( 30) = ( 0.2041534 -0.2363888 0.1990262), wk = 0.0024752 k( 31) = ( 0.2111931 -0.2445402 0.2058892), wk = 0.0024752 k( 32) = ( 0.2182329 -0.2526915 0.2127521), wk = 0.0024752 k( 33) = ( 0.2252727 -0.2608428 0.2196151), wk = 0.0024752 k( 34) = ( 0.2323125 -0.2689942 0.2264781), wk = 0.0024752 k( 35) = ( 0.2393522 -0.2771455 0.2333410), wk = 0.0024752 k( 36) = ( 0.2463920 -0.2852968 0.2402040), wk = 0.0024752 k( 37) = ( 0.2534318 -0.2934482 0.2470670), wk = 0.0024752 k( 38) = ( 0.2604715 -0.3015995 0.2539300), wk = 0.0024752 k( 39) = ( 0.2675113 -0.3097509 0.2607929), wk = 0.0024752 k( 40) = ( 0.2745511 -0.3179022 0.2676559), wk = 0.0024752 k( 41) = ( 0.2815909 -0.3260535 0.2745189), wk = 0.0024752 k( 42) = ( 0.2886306 -0.3342049 0.2813818), wk = 0.0024752 k( 43) = ( 0.2956704 -0.3423562 0.2882448), wk = 0.0024752 k( 44) = ( 0.3027102 -0.3505076 0.2951078), wk = 0.0024752 k( 45) = ( 0.3097499 -0.3586589 0.3019708), wk = 0.0024752 k( 46) = ( 0.3167897 -0.3668102 0.3088337), wk = 0.0024752 k( 47) = ( 0.3238295 -0.3749616 0.3156967), wk = 0.0024752 k( 48) = ( 0.3308693 -0.3831129 0.3225597), wk = 0.0024752 k( 49) = ( 0.3379090 -0.3912642 0.3294227), wk = 0.0024752 k( 50) = ( 0.3449488 -0.3994156 0.3362856), wk = 0.0024752 k( 51) = ( 0.3519886 -0.4075669 0.3431486), wk = 0.0024752 k( 52) = ( 0.3590283 -0.4157183 0.3500116), wk = 0.0024752 k( 53) = ( 0.3660681 -0.4238696 0.3568745), wk = 0.0024752 k( 54) = ( 0.3731079 -0.4320210 0.3637375), wk = 0.0024752 k( 55) = ( 0.3801477 -0.4401723 0.3706005), wk = 0.0024752 k( 56) = ( 0.3871874 -0.4483236 0.3774635), wk = 0.0024752 k( 57) = ( 0.3942272 -0.4564750 0.3843264), wk = 0.0024752 k( 58) = ( 0.4012670 -0.4646263 0.3911894), wk = 0.0024752 k( 59) = ( 0.4083067 -0.4727776 0.3980524), wk = 0.0024752 k( 60) = ( 0.4153465 -0.4809290 0.4049153), wk = 0.0024752 k( 61) = ( 0.4223863 -0.4890803 0.4117783), wk = 0.0024752 k( 62) = ( 0.4294261 -0.4972317 0.4186413), wk = 0.0024752 k( 63) = ( 0.4364658 -0.5053830 0.4255043), wk = 0.0024752 k( 64) = ( 0.4364658 -0.5053830 0.4255043), wk = 0.0024752 k( 65) = ( 0.4422417 -0.4986952 0.4334476), wk = 0.0024752 k( 66) = ( 0.4480175 -0.4920073 0.4413909), wk = 0.0024752 k( 67) = ( 0.4537933 -0.4853195 0.4493342), wk = 0.0024752 k( 68) = ( 0.4595692 -0.4786317 0.4572775), wk = 0.0024752 k( 69) = ( 0.4653450 -0.4719439 0.4652208), wk = 0.0024752 k( 70) = ( 0.4711208 -0.4652560 0.4731641), wk = 0.0024752 k( 71) = ( 0.4768967 -0.4585682 0.4811074), wk = 0.0024752 k( 72) = ( 0.4826725 -0.4518804 0.4890508), wk = 0.0024752 k( 73) = ( 0.4884483 -0.4451926 0.4969941), wk = 0.0024752 k( 74) = ( 0.4942242 -0.4385047 0.5049374), wk = 0.0024752 k( 75) = ( 0.5000000 -0.4318169 0.5128807), wk = 0.0024752 k( 76) = ( 0.5000000 -0.4318169 0.5128807), wk = 0.0024752 k( 77) = ( 0.4981313 -0.4191164 0.5128807), wk = 0.0024752 k( 78) = ( 0.4962627 -0.4064159 0.5128807), wk = 0.0024752 k( 79) = ( 0.4943940 -0.3937154 0.5128807), wk = 0.0024752 k( 80) = ( 0.4925254 -0.3810149 0.5128807), wk = 0.0024752 k( 81) = ( 0.4906567 -0.3683144 0.5128807), wk = 0.0024752 k( 82) = ( 0.4887881 -0.3556139 0.5128807), wk = 0.0024752 k( 83) = ( 0.4869194 -0.3429134 0.5128807), wk = 0.0024752 k( 84) = ( 0.4850508 -0.3302129 0.5128807), wk = 0.0024752 k( 85) = ( 0.4831821 -0.3175124 0.5128807), wk = 0.0024752 k( 86) = ( 0.4813135 -0.3048119 0.5128807), wk = 0.0024752 k( 87) = ( 0.4794448 -0.2921114 0.5128807), wk = 0.0024752 k( 88) = ( 0.4775762 -0.2794109 0.5128807), wk = 0.0024752 k( 89) = ( 0.4757075 -0.2667104 0.5128807), wk = 0.0024752 k( 90) = ( 0.4738389 -0.2540099 0.5128807), wk = 0.0024752 k( 91) = ( 0.4719702 -0.2413094 0.5128807), wk = 0.0024752 k( 92) = ( 0.4701016 -0.2286089 0.5128807), wk = 0.0024752 k( 93) = ( 0.4682329 -0.2159085 0.5128807), wk = 0.0024752 k( 94) = ( 0.4663643 -0.2032080 0.5128807), wk = 0.0024752 k( 95) = ( 0.4644956 -0.1905075 0.5128807), wk = 0.0024752 k( 96) = ( 0.4626270 -0.1778070 0.5128807), wk = 0.0024752 k( 97) = ( 0.4607583 -0.1651065 0.5128807), wk = 0.0024752 k( 98) = ( 0.4588897 -0.1524060 0.5128807), wk = 0.0024752 k( 99) = ( 0.4570210 -0.1397055 0.5128807), wk = 0.0024752 k( 100) = ( 0.4551524 -0.1270050 0.5128807), wk = 0.0024752 k( 101) = ( 0.4532837 -0.1143045 0.5128807), wk = 0.0024752 k( 102) = ( 0.4514150 -0.1016040 0.5128807), wk = 0.0024752 k( 103) = ( 0.4495464 -0.0889035 0.5128807), wk = 0.0024752 k( 104) = ( 0.4476777 -0.0762030 0.5128807), wk = 0.0024752 k( 105) = ( 0.4458091 -0.0635025 0.5128807), wk = 0.0024752 k( 106) = ( 0.4439404 -0.0508020 0.5128807), wk = 0.0024752 k( 107) = ( 0.4420718 -0.0381015 0.5128807), wk = 0.0024752 k( 108) = ( 0.4402031 -0.0254010 0.5128807), wk = 0.0024752 k( 109) = ( 0.4383345 -0.0127005 0.5128807), wk = 0.0024752 k( 110) = ( 0.4364658 0.0000000 0.5128807), wk = 0.0024752 k( 111) = ( 0.4345972 0.0127005 0.5128807), wk = 0.0024752 k( 112) = ( 0.4327285 0.0254010 0.5128807), wk = 0.0024752 k( 113) = ( 0.4308599 0.0381015 0.5128807), wk = 0.0024752 k( 114) = ( 0.4289912 0.0508020 0.5128807), wk = 0.0024752 k( 115) = ( 0.4271226 0.0635025 0.5128807), wk = 0.0024752 k( 116) = ( 0.4252539 0.0762030 0.5128807), wk = 0.0024752 k( 117) = ( 0.4233853 0.0889035 0.5128807), wk = 0.0024752 k( 118) = ( 0.4215166 0.1016040 0.5128807), wk = 0.0024752 k( 119) = ( 0.4196480 0.1143045 0.5128807), wk = 0.0024752 k( 120) = ( 0.4177793 0.1270050 0.5128807), wk = 0.0024752 k( 121) = ( 0.4159107 0.1397055 0.5128807), wk = 0.0024752 k( 122) = ( 0.4140420 0.1524060 0.5128807), wk = 0.0024752 k( 123) = ( 0.4121734 0.1651065 0.5128807), wk = 0.0024752 k( 124) = ( 0.4103047 0.1778070 0.5128807), wk = 0.0024752 k( 125) = ( 0.4084361 0.1905075 0.5128807), wk = 0.0024752 k( 126) = ( 0.4065674 0.2032080 0.5128807), wk = 0.0024752 k( 127) = ( 0.4046988 0.2159085 0.5128807), wk = 0.0024752 k( 128) = ( 0.4028301 0.2286090 0.5128807), wk = 0.0024752 k( 129) = ( 0.4009614 0.2413094 0.5128807), wk = 0.0024752 k( 130) = ( 0.3990928 0.2540099 0.5128807), wk = 0.0024752 k( 131) = ( 0.3972241 0.2667104 0.5128807), wk = 0.0024752 k( 132) = ( 0.3953555 0.2794109 0.5128807), wk = 0.0024752 k( 133) = ( 0.3934868 0.2921114 0.5128807), wk = 0.0024752 k( 134) = ( 0.3916182 0.3048119 0.5128807), wk = 0.0024752 k( 135) = ( 0.3897495 0.3175124 0.5128807), wk = 0.0024752 k( 136) = ( 0.3878809 0.3302129 0.5128807), wk = 0.0024752 k( 137) = ( 0.3860122 0.3429134 0.5128807), wk = 0.0024752 k( 138) = ( 0.3841436 0.3556139 0.5128807), wk = 0.0024752 k( 139) = ( 0.3822749 0.3683144 0.5128807), wk = 0.0024752 k( 140) = ( 0.3804063 0.3810149 0.5128807), wk = 0.0024752 k( 141) = ( 0.3785376 0.3937154 0.5128807), wk = 0.0024752 k( 142) = ( 0.3766690 0.4064159 0.5128807), wk = 0.0024752 k( 143) = ( 0.3748003 0.4191164 0.5128807), wk = 0.0024752 k( 144) = ( 0.3729317 0.4318169 0.5128807), wk = 0.0024752 k( 145) = ( 0.3729317 0.4318169 0.5128807), wk = 0.0024752 k( 146) = ( 0.3667162 0.4246200 0.5043327), wk = 0.0024752 k( 147) = ( 0.3605006 0.4174230 0.4957847), wk = 0.0024752 k( 148) = ( 0.3542851 0.4102261 0.4872367), wk = 0.0024752 k( 149) = ( 0.3480696 0.4030291 0.4786887), wk = 0.0024752 k( 150) = ( 0.3418540 0.3958322 0.4701406), wk = 0.0024752 k( 151) = ( 0.3356385 0.3886352 0.4615926), wk = 0.0024752 k( 152) = ( 0.3294230 0.3814383 0.4530446), wk = 0.0024752 k( 153) = ( 0.3232075 0.3742413 0.4444966), wk = 0.0024752 k( 154) = ( 0.3169919 0.3670444 0.4359486), wk = 0.0024752 k( 155) = ( 0.3107764 0.3598474 0.4274006), wk = 0.0024752 k( 156) = ( 0.3045609 0.3526505 0.4188526), wk = 0.0024752 k( 157) = ( 0.2983453 0.3454535 0.4103046), wk = 0.0024752 k( 158) = ( 0.2921298 0.3382566 0.4017565), wk = 0.0024752 k( 159) = ( 0.2859143 0.3310596 0.3932085), wk = 0.0024752 k( 160) = ( 0.2796988 0.3238627 0.3846605), wk = 0.0024752 k( 161) = ( 0.2734832 0.3166657 0.3761125), wk = 0.0024752 k( 162) = ( 0.2672677 0.3094688 0.3675645), wk = 0.0024752 k( 163) = ( 0.2610522 0.3022718 0.3590165), wk = 0.0024752 k( 164) = ( 0.2548366 0.2950749 0.3504685), wk = 0.0024752 k( 165) = ( 0.2486211 0.2878779 0.3419205), wk = 0.0024752 k( 166) = ( 0.2424056 0.2806810 0.3333725), wk = 0.0024752 k( 167) = ( 0.2361901 0.2734840 0.3248244), wk = 0.0024752 k( 168) = ( 0.2299745 0.2662871 0.3162764), wk = 0.0024752 k( 169) = ( 0.2237590 0.2590901 0.3077284), wk = 0.0024752 k( 170) = ( 0.2175435 0.2518932 0.2991804), wk = 0.0024752 k( 171) = ( 0.2113279 0.2446962 0.2906324), wk = 0.0024752 k( 172) = ( 0.2051124 0.2374993 0.2820844), wk = 0.0024752 k( 173) = ( 0.1988969 0.2303023 0.2735364), wk = 0.0024752 k( 174) = ( 0.1926814 0.2231054 0.2649884), wk = 0.0024752 k( 175) = ( 0.1864658 0.2159085 0.2564404), wk = 0.0024752 k( 176) = ( 0.1802503 0.2087115 0.2478923), wk = 0.0024752 k( 177) = ( 0.1740348 0.2015146 0.2393443), wk = 0.0024752 k( 178) = ( 0.1678193 0.1943176 0.2307963), wk = 0.0024752 k( 179) = ( 0.1616037 0.1871207 0.2222483), wk = 0.0024752 k( 180) = ( 0.1553882 0.1799237 0.2137003), wk = 0.0024752 k( 181) = ( 0.1491727 0.1727268 0.2051523), wk = 0.0024752 k( 182) = ( 0.1429571 0.1655298 0.1966043), wk = 0.0024752 k( 183) = ( 0.1367416 0.1583329 0.1880563), wk = 0.0024752 k( 184) = ( 0.1305261 0.1511359 0.1795082), wk = 0.0024752 k( 185) = ( 0.1243106 0.1439390 0.1709602), wk = 0.0024752 k( 186) = ( 0.1180950 0.1367420 0.1624122), wk = 0.0024752 k( 187) = ( 0.1118795 0.1295451 0.1538642), wk = 0.0024752 k( 188) = ( 0.1056640 0.1223481 0.1453162), wk = 0.0024752 k( 189) = ( 0.0994484 0.1151512 0.1367682), wk = 0.0024752 k( 190) = ( 0.0932329 0.1079542 0.1282202), wk = 0.0024752 k( 191) = ( 0.0870174 0.1007573 0.1196722), wk = 0.0024752 k( 192) = ( 0.0808019 0.0935603 0.1111241), wk = 0.0024752 k( 193) = ( 0.0745863 0.0863634 0.1025761), wk = 0.0024752 k( 194) = ( 0.0683708 0.0791664 0.0940281), wk = 0.0024752 k( 195) = ( 0.0621553 0.0719695 0.0854801), wk = 0.0024752 k( 196) = ( 0.0559398 0.0647725 0.0769321), wk = 0.0024752 k( 197) = ( 0.0497242 0.0575756 0.0683841), wk = 0.0024752 k( 198) = ( 0.0435087 0.0503786 0.0598361), wk = 0.0024752 k( 199) = ( 0.0372932 0.0431817 0.0512881), wk = 0.0024752 k( 200) = ( 0.0310776 0.0359847 0.0427401), wk = 0.0024752 k( 201) = ( 0.0248621 0.0287878 0.0341920), wk = 0.0024752 k( 202) = ( 0.0186466 0.0215908 0.0256440), wk = 0.0024752 k( 203) = ( 0.0124311 0.0143939 0.0170960), wk = 0.0024752 k( 204) = ( 0.0062155 0.0071970 0.0085480), wk = 0.0024752 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 207) = ( 0.0096154 -0.0083042 -0.0000000), wk = 0.0024752 k( 208) = ( 0.0192308 -0.0166083 -0.0000000), wk = 0.0024752 k( 209) = ( 0.0288462 -0.0249125 -0.0000000), wk = 0.0024752 k( 210) = ( 0.0384615 -0.0332167 -0.0000000), wk = 0.0024752 k( 211) = ( 0.0480769 -0.0415209 -0.0000000), wk = 0.0024752 k( 212) = ( 0.0576923 -0.0498250 -0.0000000), wk = 0.0024752 k( 213) = ( 0.0673077 -0.0581292 -0.0000000), wk = 0.0024752 k( 214) = ( 0.0769231 -0.0664334 -0.0000000), wk = 0.0024752 k( 215) = ( 0.0865385 -0.0747375 -0.0000000), wk = 0.0024752 k( 216) = ( 0.0961538 -0.0830417 -0.0000000), wk = 0.0024752 k( 217) = ( 0.1057692 -0.0913459 -0.0000000), wk = 0.0024752 k( 218) = ( 0.1153846 -0.0996501 -0.0000000), wk = 0.0024752 k( 219) = ( 0.1250000 -0.1079542 -0.0000000), wk = 0.0024752 k( 220) = ( 0.1346154 -0.1162584 -0.0000000), wk = 0.0024752 k( 221) = ( 0.1442308 -0.1245626 -0.0000000), wk = 0.0024752 k( 222) = ( 0.1538461 -0.1328667 -0.0000000), wk = 0.0024752 k( 223) = ( 0.1634615 -0.1411709 -0.0000000), wk = 0.0024752 k( 224) = ( 0.1730769 -0.1494751 -0.0000000), wk = 0.0024752 k( 225) = ( 0.1826923 -0.1577793 -0.0000000), wk = 0.0024752 k( 226) = ( 0.1923077 -0.1660834 -0.0000000), wk = 0.0024752 k( 227) = ( 0.2019231 -0.1743876 -0.0000000), wk = 0.0024752 k( 228) = ( 0.2115385 -0.1826918 -0.0000000), wk = 0.0024752 k( 229) = ( 0.2211539 -0.1909959 -0.0000000), wk = 0.0024752 k( 230) = ( 0.2307692 -0.1993001 -0.0000000), wk = 0.0024752 k( 231) = ( 0.2403846 -0.2076043 -0.0000000), wk = 0.0024752 k( 232) = ( 0.2500000 -0.2159085 -0.0000000), wk = 0.0024752 k( 233) = ( 0.2596154 -0.2242126 -0.0000000), wk = 0.0024752 k( 234) = ( 0.2692308 -0.2325168 -0.0000000), wk = 0.0024752 k( 235) = ( 0.2788462 -0.2408210 -0.0000000), wk = 0.0024752 k( 236) = ( 0.2884615 -0.2491251 -0.0000000), wk = 0.0024752 k( 237) = ( 0.2980769 -0.2574293 -0.0000000), wk = 0.0024752 k( 238) = ( 0.3076923 -0.2657335 -0.0000000), wk = 0.0024752 k( 239) = ( 0.3173077 -0.2740376 -0.0000000), wk = 0.0024752 k( 240) = ( 0.3269231 -0.2823418 -0.0000000), wk = 0.0024752 k( 241) = ( 0.3365385 -0.2906460 -0.0000000), wk = 0.0024752 k( 242) = ( 0.3461538 -0.2989502 -0.0000000), wk = 0.0024752 k( 243) = ( 0.3557692 -0.3072543 -0.0000000), wk = 0.0024752 k( 244) = ( 0.3653846 -0.3155585 -0.0000000), wk = 0.0024752 k( 245) = ( 0.3750000 -0.3238627 -0.0000000), wk = 0.0024752 k( 246) = ( 0.3846154 -0.3321668 -0.0000000), wk = 0.0024752 k( 247) = ( 0.3942308 -0.3404710 -0.0000000), wk = 0.0024752 k( 248) = ( 0.4038462 -0.3487752 -0.0000000), wk = 0.0024752 k( 249) = ( 0.4134615 -0.3570794 -0.0000000), wk = 0.0024752 k( 250) = ( 0.4230769 -0.3653835 -0.0000000), wk = 0.0024752 k( 251) = ( 0.4326923 -0.3736877 -0.0000000), wk = 0.0024752 k( 252) = ( 0.4423077 -0.3819919 -0.0000000), wk = 0.0024752 k( 253) = ( 0.4519231 -0.3902961 -0.0000000), wk = 0.0024752 k( 254) = ( 0.4615385 -0.3986002 -0.0000000), wk = 0.0024752 k( 255) = ( 0.4711538 -0.4069044 -0.0000000), wk = 0.0024752 k( 256) = ( 0.4807692 -0.4152086 -0.0000000), wk = 0.0024752 k( 257) = ( 0.4903846 -0.4235127 -0.0000000), wk = 0.0024752 k( 258) = ( 0.5000000 -0.4318169 -0.0000000), wk = 0.0024752 k( 259) = ( 0.5000000 -0.4318169 -0.0000000), wk = 0.0024752 k( 260) = ( 0.5018687 -0.4296532 -0.0125148), wk = 0.0024752 k( 261) = ( 0.5037373 -0.4274895 -0.0250297), wk = 0.0024752 k( 262) = ( 0.5056060 -0.4253258 -0.0375445), wk = 0.0024752 k( 263) = ( 0.5074746 -0.4231621 -0.0500593), wk = 0.0024752 k( 264) = ( 0.5093433 -0.4209984 -0.0625742), wk = 0.0024752 k( 265) = ( 0.5112119 -0.4188347 -0.0750890), wk = 0.0024752 k( 266) = ( 0.5130806 -0.4166709 -0.0876038), wk = 0.0024752 k( 267) = ( 0.5149492 -0.4145072 -0.1001186), wk = 0.0024752 k( 268) = ( 0.5168179 -0.4123435 -0.1126335), wk = 0.0024752 k( 269) = ( 0.5186865 -0.4101798 -0.1251483), wk = 0.0024752 k( 270) = ( 0.5205552 -0.4080161 -0.1376631), wk = 0.0024752 k( 271) = ( 0.5224238 -0.4058524 -0.1501780), wk = 0.0024752 k( 272) = ( 0.5242925 -0.4036887 -0.1626928), wk = 0.0024752 k( 273) = ( 0.5261611 -0.4015250 -0.1752076), wk = 0.0024752 k( 274) = ( 0.5280298 -0.3993613 -0.1877225), wk = 0.0024752 k( 275) = ( 0.5298984 -0.3971976 -0.2002373), wk = 0.0024752 k( 276) = ( 0.5317671 -0.3950339 -0.2127521), wk = 0.0024752 k( 277) = ( 0.5336357 -0.3928702 -0.2252670), wk = 0.0024752 k( 278) = ( 0.5355044 -0.3907064 -0.2377818), wk = 0.0024752 k( 279) = ( 0.5373730 -0.3885427 -0.2502966), wk = 0.0024752 k( 280) = ( 0.5392417 -0.3863790 -0.2628114), wk = 0.0024752 k( 281) = ( 0.5411103 -0.3842153 -0.2753263), wk = 0.0024752 k( 282) = ( 0.5429790 -0.3820516 -0.2878411), wk = 0.0024752 k( 283) = ( 0.5448476 -0.3798879 -0.3003559), wk = 0.0024752 k( 284) = ( 0.5467163 -0.3777242 -0.3128708), wk = 0.0024752 k( 285) = ( 0.5485849 -0.3755605 -0.3253856), wk = 0.0024752 k( 286) = ( 0.5504536 -0.3733968 -0.3379004), wk = 0.0024752 k( 287) = ( 0.5523223 -0.3712331 -0.3504153), wk = 0.0024752 k( 288) = ( 0.5541909 -0.3690694 -0.3629301), wk = 0.0024752 k( 289) = ( 0.5560595 -0.3669057 -0.3754449), wk = 0.0024752 k( 290) = ( 0.5579282 -0.3647419 -0.3879598), wk = 0.0024752 k( 291) = ( 0.5597969 -0.3625782 -0.4004746), wk = 0.0024752 k( 292) = ( 0.5616655 -0.3604145 -0.4129894), wk = 0.0024752 k( 293) = ( 0.5635342 -0.3582508 -0.4255043), wk = 0.0024752 k( 294) = ( 0.5635342 -0.3582508 -0.4255043), wk = 0.0024752 k( 295) = ( 0.5693100 -0.3515630 -0.4175609), wk = 0.0024752 k( 296) = ( 0.5750858 -0.3448752 -0.4096176), wk = 0.0024752 k( 297) = ( 0.5808617 -0.3381873 -0.4016743), wk = 0.0024752 k( 298) = ( 0.5866375 -0.3314995 -0.3937310), wk = 0.0024752 k( 299) = ( 0.5924133 -0.3248117 -0.3857877), wk = 0.0024752 k( 300) = ( 0.5981892 -0.3181239 -0.3778444), wk = 0.0024752 k( 301) = ( 0.6039650 -0.3114360 -0.3699011), wk = 0.0024752 k( 302) = ( 0.6097408 -0.3047482 -0.3619578), wk = 0.0024752 k( 303) = ( 0.6155167 -0.2980604 -0.3540144), wk = 0.0024752 k( 304) = ( 0.6212925 -0.2913726 -0.3460711), wk = 0.0024752 k( 305) = ( 0.6270683 -0.2846847 -0.3381278), wk = 0.0024752 k( 306) = ( 0.6270683 -0.2846847 -0.3381278), wk = 0.0024752 k( 307) = ( 0.6242446 -0.2767236 -0.3286722), wk = 0.0024752 k( 308) = ( 0.6214208 -0.2687625 -0.3192165), wk = 0.0024752 k( 309) = ( 0.6185971 -0.2608013 -0.3097609), wk = 0.0024752 k( 310) = ( 0.6157734 -0.2528402 -0.3003052), wk = 0.0024752 k( 311) = ( 0.6129496 -0.2448791 -0.2908495), wk = 0.0024752 k( 312) = ( 0.6101259 -0.2369179 -0.2813939), wk = 0.0024752 k( 313) = ( 0.6073021 -0.2289568 -0.2719383), wk = 0.0024752 k( 314) = ( 0.6044784 -0.2209957 -0.2624826), wk = 0.0024752 k( 315) = ( 0.6016547 -0.2130346 -0.2530270), wk = 0.0024752 k( 316) = ( 0.5988309 -0.2050734 -0.2435713), wk = 0.0024752 k( 317) = ( 0.5960072 -0.1971123 -0.2341157), wk = 0.0024752 k( 318) = ( 0.5931834 -0.1891512 -0.2246600), wk = 0.0024752 k( 319) = ( 0.5903597 -0.1811900 -0.2152044), wk = 0.0024752 k( 320) = ( 0.5875360 -0.1732289 -0.2057487), wk = 0.0024752 k( 321) = ( 0.5847122 -0.1652678 -0.1962931), wk = 0.0024752 k( 322) = ( 0.5818885 -0.1573067 -0.1868374), wk = 0.0024752 k( 323) = ( 0.5790647 -0.1493455 -0.1773818), wk = 0.0024752 k( 324) = ( 0.5762410 -0.1413844 -0.1679261), wk = 0.0024752 k( 325) = ( 0.5734172 -0.1334233 -0.1584705), wk = 0.0024752 k( 326) = ( 0.5705935 -0.1254621 -0.1490148), wk = 0.0024752 k( 327) = ( 0.5677698 -0.1175010 -0.1395591), wk = 0.0024752 k( 328) = ( 0.5649460 -0.1095399 -0.1301035), wk = 0.0024752 k( 329) = ( 0.5621223 -0.1015788 -0.1206478), wk = 0.0024752 k( 330) = ( 0.5592985 -0.0936176 -0.1111922), wk = 0.0024752 k( 331) = ( 0.5564748 -0.0856565 -0.1017366), wk = 0.0024752 k( 332) = ( 0.5536511 -0.0776954 -0.0922809), wk = 0.0024752 k( 333) = ( 0.5508273 -0.0697342 -0.0828253), wk = 0.0024752 k( 334) = ( 0.5480036 -0.0617731 -0.0733696), wk = 0.0024752 k( 335) = ( 0.5451799 -0.0538120 -0.0639140), wk = 0.0024752 k( 336) = ( 0.5423561 -0.0458509 -0.0544583), wk = 0.0024752 k( 337) = ( 0.5395324 -0.0378897 -0.0450027), wk = 0.0024752 k( 338) = ( 0.5367086 -0.0299286 -0.0355470), wk = 0.0024752 k( 339) = ( 0.5338849 -0.0219675 -0.0260914), wk = 0.0024752 k( 340) = ( 0.5310611 -0.0140063 -0.0166357), wk = 0.0024752 k( 341) = ( 0.5282374 -0.0060452 -0.0071801), wk = 0.0024752 k( 342) = ( 0.5254137 0.0019159 0.0022756), wk = 0.0024752 k( 343) = ( 0.5225899 0.0098771 0.0117313), wk = 0.0024752 k( 344) = ( 0.5197662 0.0178382 0.0211869), wk = 0.0024752 k( 345) = ( 0.5169424 0.0257993 0.0306426), wk = 0.0024752 k( 346) = ( 0.5141187 0.0337604 0.0400982), wk = 0.0024752 k( 347) = ( 0.5112950 0.0417216 0.0495539), wk = 0.0024752 k( 348) = ( 0.5084712 0.0496827 0.0590095), wk = 0.0024752 k( 349) = ( 0.5056475 0.0576438 0.0684651), wk = 0.0024752 k( 350) = ( 0.5028237 0.0656050 0.0779208), wk = 0.0024752 k( 351) = ( 0.5000000 0.0735661 0.0873764), wk = 0.0024752 k( 352) = ( 0.5000000 0.0735661 0.0873764), wk = 0.0024752 k( 353) = ( 0.5000000 0.0638472 0.0955592), wk = 0.0024752 k( 354) = ( 0.5000000 0.0541283 0.1037420), wk = 0.0024752 k( 355) = ( 0.5000000 0.0444094 0.1119248), wk = 0.0024752 k( 356) = ( 0.5000000 0.0346905 0.1201075), wk = 0.0024752 k( 357) = ( 0.5000000 0.0249716 0.1282903), wk = 0.0024752 k( 358) = ( 0.5000000 0.0152527 0.1364731), wk = 0.0024752 k( 359) = ( 0.5000000 0.0055338 0.1446559), wk = 0.0024752 k( 360) = ( 0.5000000 -0.0041851 0.1528386), wk = 0.0024752 k( 361) = ( 0.5000000 -0.0139040 0.1610214), wk = 0.0024752 k( 362) = ( 0.5000000 -0.0236230 0.1692042), wk = 0.0024752 k( 363) = ( 0.5000000 -0.0333419 0.1773870), wk = 0.0024752 k( 364) = ( 0.5000000 -0.0430608 0.1855697), wk = 0.0024752 k( 365) = ( 0.5000000 -0.0527797 0.1937525), wk = 0.0024752 k( 366) = ( 0.5000000 -0.0624986 0.2019353), wk = 0.0024752 k( 367) = ( 0.5000000 -0.0722175 0.2101181), wk = 0.0024752 k( 368) = ( 0.5000000 -0.0819364 0.2183008), wk = 0.0024752 k( 369) = ( 0.5000000 -0.0916553 0.2264836), wk = 0.0024752 k( 370) = ( 0.5000000 -0.1013742 0.2346664), wk = 0.0024752 k( 371) = ( 0.5000000 -0.1110931 0.2428492), wk = 0.0024752 k( 372) = ( 0.5000000 -0.1208120 0.2510319), wk = 0.0024752 k( 373) = ( 0.5000000 -0.1305309 0.2592147), wk = 0.0024752 k( 374) = ( 0.5000000 -0.1402498 0.2673975), wk = 0.0024752 k( 375) = ( 0.5000000 -0.1499687 0.2755803), wk = 0.0024752 k( 376) = ( 0.5000000 -0.1596876 0.2837630), wk = 0.0024752 k( 377) = ( 0.5000000 -0.1694065 0.2919458), wk = 0.0024752 k( 378) = ( 0.5000000 -0.1791254 0.3001286), wk = 0.0024752 k( 379) = ( 0.5000000 -0.1888443 0.3083113), wk = 0.0024752 k( 380) = ( 0.5000000 -0.1985632 0.3164941), wk = 0.0024752 k( 381) = ( 0.5000000 -0.2082821 0.3246769), wk = 0.0024752 k( 382) = ( 0.5000000 -0.2180010 0.3328597), wk = 0.0024752 k( 383) = ( 0.5000000 -0.2277199 0.3410424), wk = 0.0024752 k( 384) = ( 0.5000000 -0.2374388 0.3492252), wk = 0.0024752 k( 385) = ( 0.5000000 -0.2471577 0.3574080), wk = 0.0024752 k( 386) = ( 0.5000000 -0.2568766 0.3655908), wk = 0.0024752 k( 387) = ( 0.5000000 -0.2665955 0.3737735), wk = 0.0024752 k( 388) = ( 0.5000000 -0.2763144 0.3819563), wk = 0.0024752 k( 389) = ( 0.5000000 -0.2860333 0.3901391), wk = 0.0024752 k( 390) = ( 0.5000000 -0.2957523 0.3983219), wk = 0.0024752 k( 391) = ( 0.5000000 -0.3054712 0.4065046), wk = 0.0024752 k( 392) = ( 0.5000000 -0.3151901 0.4146874), wk = 0.0024752 k( 393) = ( 0.5000000 -0.3249090 0.4228702), wk = 0.0024752 k( 394) = ( 0.5000000 -0.3346279 0.4310530), wk = 0.0024752 k( 395) = ( 0.5000000 -0.3443468 0.4392357), wk = 0.0024752 k( 396) = ( 0.5000000 -0.3540657 0.4474185), wk = 0.0024752 k( 397) = ( 0.5000000 -0.3637846 0.4556013), wk = 0.0024752 k( 398) = ( 0.5000000 -0.3735035 0.4637841), wk = 0.0024752 k( 399) = ( 0.5000000 -0.3832224 0.4719668), wk = 0.0024752 k( 400) = ( 0.5000000 -0.3929413 0.4801496), wk = 0.0024752 k( 401) = ( 0.5000000 -0.4026602 0.4883324), wk = 0.0024752 k( 402) = ( 0.5000000 -0.4123791 0.4965152), wk = 0.0024752 k( 403) = ( 0.5000000 -0.4220980 0.5046979), wk = 0.0024752 k( 404) = ( 0.5000000 -0.4318169 0.5128807), wk = 0.0024752 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0070398 -0.0090893 0.0070398), wk = 0.0024752 k( 3) = ( 0.0140795 -0.0181785 0.0140795), wk = 0.0024752 k( 4) = ( 0.0211193 -0.0272678 0.0211193), wk = 0.0024752 k( 5) = ( 0.0281591 -0.0363570 0.0281591), wk = 0.0024752 k( 6) = ( 0.0351989 -0.0454463 0.0351989), wk = 0.0024752 k( 7) = ( 0.0422386 -0.0545356 0.0422386), wk = 0.0024752 k( 8) = ( 0.0492784 -0.0636248 0.0492784), wk = 0.0024752 k( 9) = ( 0.0563182 -0.0727141 0.0563182), wk = 0.0024752 k( 10) = ( 0.0633579 -0.0818033 0.0633579), wk = 0.0024752 k( 11) = ( 0.0703977 -0.0908926 0.0703977), wk = 0.0024752 k( 12) = ( 0.0774375 -0.0999819 0.0774375), wk = 0.0024752 k( 13) = ( 0.0844773 -0.1090711 0.0844773), wk = 0.0024752 k( 14) = ( 0.0915170 -0.1181604 0.0915170), wk = 0.0024752 k( 15) = ( 0.0985568 -0.1272496 0.0985568), wk = 0.0024752 k( 16) = ( 0.1055966 -0.1363389 0.1055966), wk = 0.0024752 k( 17) = ( 0.1126363 -0.1454282 0.1126363), wk = 0.0024752 k( 18) = ( 0.1196761 -0.1545174 0.1196761), wk = 0.0024752 k( 19) = ( 0.1267159 -0.1636067 0.1267159), wk = 0.0024752 k( 20) = ( 0.1337557 -0.1726959 0.1337557), wk = 0.0024752 k( 21) = ( 0.1407954 -0.1817852 0.1407954), wk = 0.0024752 k( 22) = ( 0.1478352 -0.1908745 0.1478352), wk = 0.0024752 k( 23) = ( 0.1548750 -0.1999637 0.1548750), wk = 0.0024752 k( 24) = ( 0.1619147 -0.2090530 0.1619147), wk = 0.0024752 k( 25) = ( 0.1689545 -0.2181423 0.1689545), wk = 0.0024752 k( 26) = ( 0.1759943 -0.2272315 0.1759943), wk = 0.0024752 k( 27) = ( 0.1830341 -0.2363208 0.1830341), wk = 0.0024752 k( 28) = ( 0.1900738 -0.2454100 0.1900738), wk = 0.0024752 k( 29) = ( 0.1971136 -0.2544993 0.1971136), wk = 0.0024752 k( 30) = ( 0.2041534 -0.2635886 0.2041534), wk = 0.0024752 k( 31) = ( 0.2111931 -0.2726778 0.2111931), wk = 0.0024752 k( 32) = ( 0.2182329 -0.2817671 0.2182329), wk = 0.0024752 k( 33) = ( 0.2252727 -0.2908563 0.2252727), wk = 0.0024752 k( 34) = ( 0.2323125 -0.2999456 0.2323125), wk = 0.0024752 k( 35) = ( 0.2393522 -0.3090349 0.2393522), wk = 0.0024752 k( 36) = ( 0.2463920 -0.3181241 0.2463920), wk = 0.0024752 k( 37) = ( 0.2534318 -0.3272134 0.2534318), wk = 0.0024752 k( 38) = ( 0.2604715 -0.3363026 0.2604715), wk = 0.0024752 k( 39) = ( 0.2675113 -0.3453919 0.2675113), wk = 0.0024752 k( 40) = ( 0.2745511 -0.3544812 0.2745511), wk = 0.0024752 k( 41) = ( 0.2815909 -0.3635704 0.2815909), wk = 0.0024752 k( 42) = ( 0.2886306 -0.3726597 0.2886306), wk = 0.0024752 k( 43) = ( 0.2956704 -0.3817489 0.2956704), wk = 0.0024752 k( 44) = ( 0.3027102 -0.3908382 0.3027102), wk = 0.0024752 k( 45) = ( 0.3097499 -0.3999275 0.3097499), wk = 0.0024752 k( 46) = ( 0.3167897 -0.4090167 0.3167897), wk = 0.0024752 k( 47) = ( 0.3238295 -0.4181060 0.3238295), wk = 0.0024752 k( 48) = ( 0.3308693 -0.4271953 0.3308693), wk = 0.0024752 k( 49) = ( 0.3379090 -0.4362845 0.3379090), wk = 0.0024752 k( 50) = ( 0.3449488 -0.4453738 0.3449488), wk = 0.0024752 k( 51) = ( 0.3519886 -0.4544630 0.3519886), wk = 0.0024752 k( 52) = ( 0.3590283 -0.4635523 0.3590283), wk = 0.0024752 k( 53) = ( 0.3660681 -0.4726416 0.3660681), wk = 0.0024752 k( 54) = ( 0.3731079 -0.4817308 0.3731079), wk = 0.0024752 k( 55) = ( 0.3801477 -0.4908201 0.3801477), wk = 0.0024752 k( 56) = ( 0.3871874 -0.4999093 0.3871874), wk = 0.0024752 k( 57) = ( 0.3942272 -0.5089986 0.3942272), wk = 0.0024752 k( 58) = ( 0.4012670 -0.5180879 0.4012670), wk = 0.0024752 k( 59) = ( 0.4083067 -0.5271771 0.4083067), wk = 0.0024752 k( 60) = ( 0.4153465 -0.5362664 0.4153465), wk = 0.0024752 k( 61) = ( 0.4223863 -0.5453556 0.4223863), wk = 0.0024752 k( 62) = ( 0.4294261 -0.5544449 0.4294261), wk = 0.0024752 k( 63) = ( 0.4364658 -0.5635342 0.4364658), wk = 0.0024752 k( 64) = ( 0.4364658 -0.5635342 0.4364658), wk = 0.0024752 k( 65) = ( 0.4422417 -0.5577583 0.4422417), wk = 0.0024752 k( 66) = ( 0.4480175 -0.5519825 0.4480175), wk = 0.0024752 k( 67) = ( 0.4537933 -0.5462067 0.4537933), wk = 0.0024752 k( 68) = ( 0.4595692 -0.5404308 0.4595692), wk = 0.0024752 k( 69) = ( 0.4653450 -0.5346550 0.4653450), wk = 0.0024752 k( 70) = ( 0.4711208 -0.5288792 0.4711208), wk = 0.0024752 k( 71) = ( 0.4768967 -0.5231033 0.4768967), wk = 0.0024752 k( 72) = ( 0.4826725 -0.5173275 0.4826725), wk = 0.0024752 k( 73) = ( 0.4884483 -0.5115517 0.4884483), wk = 0.0024752 k( 74) = ( 0.4942242 -0.5057758 0.4942242), wk = 0.0024752 k( 75) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0024752 k( 76) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0024752 k( 77) = ( 0.4981313 -0.4871628 0.4981313), wk = 0.0024752 k( 78) = ( 0.4962627 -0.4743255 0.4962627), wk = 0.0024752 k( 79) = ( 0.4943940 -0.4614883 0.4943940), wk = 0.0024752 k( 80) = ( 0.4925254 -0.4486511 0.4925254), wk = 0.0024752 k( 81) = ( 0.4906567 -0.4358139 0.4906567), wk = 0.0024752 k( 82) = ( 0.4887881 -0.4229766 0.4887881), wk = 0.0024752 k( 83) = ( 0.4869194 -0.4101394 0.4869194), wk = 0.0024752 k( 84) = ( 0.4850508 -0.3973022 0.4850508), wk = 0.0024752 k( 85) = ( 0.4831821 -0.3844649 0.4831821), wk = 0.0024752 k( 86) = ( 0.4813135 -0.3716277 0.4813135), wk = 0.0024752 k( 87) = ( 0.4794448 -0.3587905 0.4794448), wk = 0.0024752 k( 88) = ( 0.4775762 -0.3459532 0.4775762), wk = 0.0024752 k( 89) = ( 0.4757075 -0.3331160 0.4757075), wk = 0.0024752 k( 90) = ( 0.4738389 -0.3202788 0.4738389), wk = 0.0024752 k( 91) = ( 0.4719702 -0.3074415 0.4719702), wk = 0.0024752 k( 92) = ( 0.4701016 -0.2946043 0.4701016), wk = 0.0024752 k( 93) = ( 0.4682329 -0.2817671 0.4682329), wk = 0.0024752 k( 94) = ( 0.4663643 -0.2689299 0.4663643), wk = 0.0024752 k( 95) = ( 0.4644956 -0.2560926 0.4644956), wk = 0.0024752 k( 96) = ( 0.4626270 -0.2432554 0.4626270), wk = 0.0024752 k( 97) = ( 0.4607583 -0.2304182 0.4607583), wk = 0.0024752 k( 98) = ( 0.4588897 -0.2175809 0.4588897), wk = 0.0024752 k( 99) = ( 0.4570210 -0.2047437 0.4570210), wk = 0.0024752 k( 100) = ( 0.4551524 -0.1919065 0.4551524), wk = 0.0024752 k( 101) = ( 0.4532837 -0.1790692 0.4532837), wk = 0.0024752 k( 102) = ( 0.4514150 -0.1662320 0.4514150), wk = 0.0024752 k( 103) = ( 0.4495464 -0.1533948 0.4495464), wk = 0.0024752 k( 104) = ( 0.4476777 -0.1405575 0.4476777), wk = 0.0024752 k( 105) = ( 0.4458091 -0.1277203 0.4458091), wk = 0.0024752 k( 106) = ( 0.4439404 -0.1148831 0.4439404), wk = 0.0024752 k( 107) = ( 0.4420718 -0.1020458 0.4420718), wk = 0.0024752 k( 108) = ( 0.4402031 -0.0892086 0.4402031), wk = 0.0024752 k( 109) = ( 0.4383345 -0.0763714 0.4383345), wk = 0.0024752 k( 110) = ( 0.4364658 -0.0635342 0.4364658), wk = 0.0024752 k( 111) = ( 0.4345972 -0.0506969 0.4345972), wk = 0.0024752 k( 112) = ( 0.4327285 -0.0378597 0.4327285), wk = 0.0024752 k( 113) = ( 0.4308599 -0.0250225 0.4308599), wk = 0.0024752 k( 114) = ( 0.4289912 -0.0121852 0.4289912), wk = 0.0024752 k( 115) = ( 0.4271226 0.0006520 0.4271226), wk = 0.0024752 k( 116) = ( 0.4252539 0.0134892 0.4252539), wk = 0.0024752 k( 117) = ( 0.4233853 0.0263265 0.4233853), wk = 0.0024752 k( 118) = ( 0.4215166 0.0391637 0.4215166), wk = 0.0024752 k( 119) = ( 0.4196480 0.0520009 0.4196480), wk = 0.0024752 k( 120) = ( 0.4177793 0.0648381 0.4177793), wk = 0.0024752 k( 121) = ( 0.4159107 0.0776754 0.4159107), wk = 0.0024752 k( 122) = ( 0.4140420 0.0905126 0.4140420), wk = 0.0024752 k( 123) = ( 0.4121734 0.1033498 0.4121734), wk = 0.0024752 k( 124) = ( 0.4103047 0.1161871 0.4103047), wk = 0.0024752 k( 125) = ( 0.4084361 0.1290243 0.4084361), wk = 0.0024752 k( 126) = ( 0.4065674 0.1418615 0.4065674), wk = 0.0024752 k( 127) = ( 0.4046988 0.1546988 0.4046988), wk = 0.0024752 k( 128) = ( 0.4028301 0.1675360 0.4028301), wk = 0.0024752 k( 129) = ( 0.4009614 0.1803732 0.4009614), wk = 0.0024752 k( 130) = ( 0.3990928 0.1932105 0.3990928), wk = 0.0024752 k( 131) = ( 0.3972241 0.2060477 0.3972241), wk = 0.0024752 k( 132) = ( 0.3953555 0.2188849 0.3953555), wk = 0.0024752 k( 133) = ( 0.3934868 0.2317221 0.3934868), wk = 0.0024752 k( 134) = ( 0.3916182 0.2445594 0.3916182), wk = 0.0024752 k( 135) = ( 0.3897495 0.2573966 0.3897495), wk = 0.0024752 k( 136) = ( 0.3878809 0.2702338 0.3878809), wk = 0.0024752 k( 137) = ( 0.3860122 0.2830711 0.3860122), wk = 0.0024752 k( 138) = ( 0.3841436 0.2959083 0.3841436), wk = 0.0024752 k( 139) = ( 0.3822749 0.3087455 0.3822749), wk = 0.0024752 k( 140) = ( 0.3804063 0.3215827 0.3804063), wk = 0.0024752 k( 141) = ( 0.3785376 0.3344200 0.3785376), wk = 0.0024752 k( 142) = ( 0.3766690 0.3472572 0.3766690), wk = 0.0024752 k( 143) = ( 0.3748003 0.3600945 0.3748003), wk = 0.0024752 k( 144) = ( 0.3729317 0.3729317 0.3729317), wk = 0.0024752 k( 145) = ( 0.3729317 0.3729317 0.3729317), wk = 0.0024752 k( 146) = ( 0.3667162 0.3667162 0.3667161), wk = 0.0024752 k( 147) = ( 0.3605006 0.3605006 0.3605006), wk = 0.0024752 k( 148) = ( 0.3542851 0.3542851 0.3542851), wk = 0.0024752 k( 149) = ( 0.3480696 0.3480696 0.3480696), wk = 0.0024752 k( 150) = ( 0.3418540 0.3418540 0.3418540), wk = 0.0024752 k( 151) = ( 0.3356385 0.3356385 0.3356385), wk = 0.0024752 k( 152) = ( 0.3294230 0.3294230 0.3294230), wk = 0.0024752 k( 153) = ( 0.3232075 0.3232074 0.3232074), wk = 0.0024752 k( 154) = ( 0.3169919 0.3169919 0.3169919), wk = 0.0024752 k( 155) = ( 0.3107764 0.3107764 0.3107764), wk = 0.0024752 k( 156) = ( 0.3045609 0.3045609 0.3045609), wk = 0.0024752 k( 157) = ( 0.2983453 0.2983453 0.2983453), wk = 0.0024752 k( 158) = ( 0.2921298 0.2921298 0.2921298), wk = 0.0024752 k( 159) = ( 0.2859143 0.2859143 0.2859143), wk = 0.0024752 k( 160) = ( 0.2796988 0.2796988 0.2796988), wk = 0.0024752 k( 161) = ( 0.2734832 0.2734832 0.2734832), wk = 0.0024752 k( 162) = ( 0.2672677 0.2672677 0.2672677), wk = 0.0024752 k( 163) = ( 0.2610522 0.2610522 0.2610522), wk = 0.0024752 k( 164) = ( 0.2548366 0.2548366 0.2548366), wk = 0.0024752 k( 165) = ( 0.2486211 0.2486211 0.2486211), wk = 0.0024752 k( 166) = ( 0.2424056 0.2424056 0.2424056), wk = 0.0024752 k( 167) = ( 0.2361901 0.2361901 0.2361901), wk = 0.0024752 k( 168) = ( 0.2299745 0.2299745 0.2299745), wk = 0.0024752 k( 169) = ( 0.2237590 0.2237590 0.2237590), wk = 0.0024752 k( 170) = ( 0.2175435 0.2175435 0.2175435), wk = 0.0024752 k( 171) = ( 0.2113279 0.2113279 0.2113279), wk = 0.0024752 k( 172) = ( 0.2051124 0.2051124 0.2051124), wk = 0.0024752 k( 173) = ( 0.1988969 0.1988969 0.1988969), wk = 0.0024752 k( 174) = ( 0.1926814 0.1926814 0.1926814), wk = 0.0024752 k( 175) = ( 0.1864658 0.1864658 0.1864658), wk = 0.0024752 k( 176) = ( 0.1802503 0.1802503 0.1802503), wk = 0.0024752 k( 177) = ( 0.1740348 0.1740348 0.1740348), wk = 0.0024752 k( 178) = ( 0.1678193 0.1678193 0.1678193), wk = 0.0024752 k( 179) = ( 0.1616037 0.1616037 0.1616037), wk = 0.0024752 k( 180) = ( 0.1553882 0.1553882 0.1553882), wk = 0.0024752 k( 181) = ( 0.1491727 0.1491727 0.1491727), wk = 0.0024752 k( 182) = ( 0.1429571 0.1429571 0.1429571), wk = 0.0024752 k( 183) = ( 0.1367416 0.1367416 0.1367416), wk = 0.0024752 k( 184) = ( 0.1305261 0.1305261 0.1305261), wk = 0.0024752 k( 185) = ( 0.1243106 0.1243106 0.1243106), wk = 0.0024752 k( 186) = ( 0.1180950 0.1180950 0.1180950), wk = 0.0024752 k( 187) = ( 0.1118795 0.1118795 0.1118795), wk = 0.0024752 k( 188) = ( 0.1056640 0.1056640 0.1056640), wk = 0.0024752 k( 189) = ( 0.0994484 0.0994484 0.0994484), wk = 0.0024752 k( 190) = ( 0.0932329 0.0932329 0.0932329), wk = 0.0024752 k( 191) = ( 0.0870174 0.0870174 0.0870174), wk = 0.0024752 k( 192) = ( 0.0808019 0.0808019 0.0808019), wk = 0.0024752 k( 193) = ( 0.0745863 0.0745863 0.0745863), wk = 0.0024752 k( 194) = ( 0.0683708 0.0683708 0.0683708), wk = 0.0024752 k( 195) = ( 0.0621553 0.0621553 0.0621553), wk = 0.0024752 k( 196) = ( 0.0559398 0.0559398 0.0559397), wk = 0.0024752 k( 197) = ( 0.0497242 0.0497242 0.0497242), wk = 0.0024752 k( 198) = ( 0.0435087 0.0435087 0.0435087), wk = 0.0024752 k( 199) = ( 0.0372932 0.0372932 0.0372932), wk = 0.0024752 k( 200) = ( 0.0310776 0.0310776 0.0310776), wk = 0.0024752 k( 201) = ( 0.0248621 0.0248621 0.0248621), wk = 0.0024752 k( 202) = ( 0.0186466 0.0186466 0.0186466), wk = 0.0024752 k( 203) = ( 0.0124311 0.0124311 0.0124311), wk = 0.0024752 k( 204) = ( 0.0062155 0.0062155 0.0062155), wk = 0.0024752 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 207) = ( 0.0096154 -0.0096154 -0.0000000), wk = 0.0024752 k( 208) = ( 0.0192308 -0.0192308 -0.0000000), wk = 0.0024752 k( 209) = ( 0.0288462 -0.0288462 -0.0000000), wk = 0.0024752 k( 210) = ( 0.0384615 -0.0384615 -0.0000000), wk = 0.0024752 k( 211) = ( 0.0480769 -0.0480769 -0.0000000), wk = 0.0024752 k( 212) = ( 0.0576923 -0.0576923 -0.0000000), wk = 0.0024752 k( 213) = ( 0.0673077 -0.0673077 -0.0000000), wk = 0.0024752 k( 214) = ( 0.0769231 -0.0769231 -0.0000000), wk = 0.0024752 k( 215) = ( 0.0865385 -0.0865385 -0.0000000), wk = 0.0024752 k( 216) = ( 0.0961538 -0.0961538 0.0000000), wk = 0.0024752 k( 217) = ( 0.1057692 -0.1057692 -0.0000000), wk = 0.0024752 k( 218) = ( 0.1153846 -0.1153846 -0.0000000), wk = 0.0024752 k( 219) = ( 0.1250000 -0.1250000 0.0000000), wk = 0.0024752 k( 220) = ( 0.1346154 -0.1346154 -0.0000000), wk = 0.0024752 k( 221) = ( 0.1442308 -0.1442308 0.0000000), wk = 0.0024752 k( 222) = ( 0.1538461 -0.1538462 -0.0000000), wk = 0.0024752 k( 223) = ( 0.1634615 -0.1634615 0.0000000), wk = 0.0024752 k( 224) = ( 0.1730769 -0.1730769 -0.0000000), wk = 0.0024752 k( 225) = ( 0.1826923 -0.1826923 -0.0000000), wk = 0.0024752 k( 226) = ( 0.1923077 -0.1923077 0.0000000), wk = 0.0024752 k( 227) = ( 0.2019231 -0.2019231 -0.0000000), wk = 0.0024752 k( 228) = ( 0.2115385 -0.2115385 -0.0000000), wk = 0.0024752 k( 229) = ( 0.2211539 -0.2211539 0.0000000), wk = 0.0024752 k( 230) = ( 0.2307692 -0.2307692 -0.0000000), wk = 0.0024752 k( 231) = ( 0.2403846 -0.2403846 -0.0000000), wk = 0.0024752 k( 232) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0024752 k( 233) = ( 0.2596154 -0.2596154 0.0000000), wk = 0.0024752 k( 234) = ( 0.2692308 -0.2692308 0.0000000), wk = 0.0024752 k( 235) = ( 0.2788462 -0.2788462 0.0000000), wk = 0.0024752 k( 236) = ( 0.2884615 -0.2884615 0.0000000), wk = 0.0024752 k( 237) = ( 0.2980769 -0.2980769 -0.0000000), wk = 0.0024752 k( 238) = ( 0.3076923 -0.3076923 -0.0000000), wk = 0.0024752 k( 239) = ( 0.3173077 -0.3173077 -0.0000000), wk = 0.0024752 k( 240) = ( 0.3269231 -0.3269231 0.0000000), wk = 0.0024752 k( 241) = ( 0.3365385 -0.3365385 -0.0000000), wk = 0.0024752 k( 242) = ( 0.3461538 -0.3461538 -0.0000000), wk = 0.0024752 k( 243) = ( 0.3557692 -0.3557692 -0.0000000), wk = 0.0024752 k( 244) = ( 0.3653846 -0.3653846 -0.0000000), wk = 0.0024752 k( 245) = ( 0.3750000 -0.3750000 -0.0000000), wk = 0.0024752 k( 246) = ( 0.3846154 -0.3846154 0.0000000), wk = 0.0024752 k( 247) = ( 0.3942308 -0.3942308 0.0000000), wk = 0.0024752 k( 248) = ( 0.4038462 -0.4038462 -0.0000000), wk = 0.0024752 k( 249) = ( 0.4134615 -0.4134615 -0.0000000), wk = 0.0024752 k( 250) = ( 0.4230769 -0.4230769 -0.0000000), wk = 0.0024752 k( 251) = ( 0.4326923 -0.4326923 0.0000000), wk = 0.0024752 k( 252) = ( 0.4423077 -0.4423077 -0.0000000), wk = 0.0024752 k( 253) = ( 0.4519231 -0.4519231 -0.0000000), wk = 0.0024752 k( 254) = ( 0.4615385 -0.4615385 -0.0000000), wk = 0.0024752 k( 255) = ( 0.4711538 -0.4711538 -0.0000000), wk = 0.0024752 k( 256) = ( 0.4807692 -0.4807692 -0.0000000), wk = 0.0024752 k( 257) = ( 0.4903846 -0.4903846 -0.0000000), wk = 0.0024752 k( 258) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0024752 k( 259) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0024752 k( 260) = ( 0.5018687 -0.4981314 -0.0128372), wk = 0.0024752 k( 261) = ( 0.5037373 -0.4962627 -0.0256745), wk = 0.0024752 k( 262) = ( 0.5056060 -0.4943940 -0.0385117), wk = 0.0024752 k( 263) = ( 0.5074746 -0.4925254 -0.0513489), wk = 0.0024752 k( 264) = ( 0.5093433 -0.4906567 -0.0641861), wk = 0.0024752 k( 265) = ( 0.5112119 -0.4887881 -0.0770234), wk = 0.0024752 k( 266) = ( 0.5130806 -0.4869194 -0.0898606), wk = 0.0024752 k( 267) = ( 0.5149492 -0.4850508 -0.1026978), wk = 0.0024752 k( 268) = ( 0.5168179 -0.4831821 -0.1155351), wk = 0.0024752 k( 269) = ( 0.5186865 -0.4813135 -0.1283723), wk = 0.0024752 k( 270) = ( 0.5205552 -0.4794448 -0.1412095), wk = 0.0024752 k( 271) = ( 0.5224238 -0.4775762 -0.1540468), wk = 0.0024752 k( 272) = ( 0.5242925 -0.4757075 -0.1668840), wk = 0.0024752 k( 273) = ( 0.5261611 -0.4738389 -0.1797212), wk = 0.0024752 k( 274) = ( 0.5280298 -0.4719702 -0.1925585), wk = 0.0024752 k( 275) = ( 0.5298984 -0.4701016 -0.2053957), wk = 0.0024752 k( 276) = ( 0.5317671 -0.4682329 -0.2182329), wk = 0.0024752 k( 277) = ( 0.5336357 -0.4663643 -0.2310702), wk = 0.0024752 k( 278) = ( 0.5355044 -0.4644956 -0.2439074), wk = 0.0024752 k( 279) = ( 0.5373730 -0.4626270 -0.2567446), wk = 0.0024752 k( 280) = ( 0.5392417 -0.4607583 -0.2695818), wk = 0.0024752 k( 281) = ( 0.5411103 -0.4588897 -0.2824191), wk = 0.0024752 k( 282) = ( 0.5429790 -0.4570210 -0.2952563), wk = 0.0024752 k( 283) = ( 0.5448476 -0.4551524 -0.3080935), wk = 0.0024752 k( 284) = ( 0.5467163 -0.4532837 -0.3209308), wk = 0.0024752 k( 285) = ( 0.5485849 -0.4514151 -0.3337680), wk = 0.0024752 k( 286) = ( 0.5504536 -0.4495464 -0.3466052), wk = 0.0024752 k( 287) = ( 0.5523223 -0.4476777 -0.3594425), wk = 0.0024752 k( 288) = ( 0.5541909 -0.4458091 -0.3722797), wk = 0.0024752 k( 289) = ( 0.5560595 -0.4439404 -0.3851169), wk = 0.0024752 k( 290) = ( 0.5579282 -0.4420718 -0.3979542), wk = 0.0024752 k( 291) = ( 0.5597969 -0.4402031 -0.4107914), wk = 0.0024752 k( 292) = ( 0.5616655 -0.4383345 -0.4236286), wk = 0.0024752 k( 293) = ( 0.5635342 -0.4364658 -0.4364658), wk = 0.0024752 k( 294) = ( 0.5635342 -0.4364658 -0.4364658), wk = 0.0024752 k( 295) = ( 0.5693100 -0.4306900 -0.4306900), wk = 0.0024752 k( 296) = ( 0.5750858 -0.4249142 -0.4249142), wk = 0.0024752 k( 297) = ( 0.5808617 -0.4191383 -0.4191383), wk = 0.0024752 k( 298) = ( 0.5866375 -0.4133625 -0.4133625), wk = 0.0024752 k( 299) = ( 0.5924133 -0.4075867 -0.4075867), wk = 0.0024752 k( 300) = ( 0.5981892 -0.4018108 -0.4018108), wk = 0.0024752 k( 301) = ( 0.6039650 -0.3960350 -0.3960350), wk = 0.0024752 k( 302) = ( 0.6097408 -0.3902592 -0.3902592), wk = 0.0024752 k( 303) = ( 0.6155167 -0.3844833 -0.3844833), wk = 0.0024752 k( 304) = ( 0.6212925 -0.3787075 -0.3787075), wk = 0.0024752 k( 305) = ( 0.6270683 -0.3729317 -0.3729317), wk = 0.0024752 k( 306) = ( 0.6270683 -0.3729317 -0.3729317), wk = 0.0024752 k( 307) = ( 0.6242446 -0.3646443 -0.3646443), wk = 0.0024752 k( 308) = ( 0.6214208 -0.3563569 -0.3563569), wk = 0.0024752 k( 309) = ( 0.6185971 -0.3480696 -0.3480696), wk = 0.0024752 k( 310) = ( 0.6157734 -0.3397822 -0.3397822), wk = 0.0024752 k( 311) = ( 0.6129496 -0.3314948 -0.3314948), wk = 0.0024752 k( 312) = ( 0.6101259 -0.3232075 -0.3232075), wk = 0.0024752 k( 313) = ( 0.6073021 -0.3149201 -0.3149201), wk = 0.0024752 k( 314) = ( 0.6044784 -0.3066327 -0.3066327), wk = 0.0024752 k( 315) = ( 0.6016547 -0.2983453 -0.2983453), wk = 0.0024752 k( 316) = ( 0.5988309 -0.2900580 -0.2900580), wk = 0.0024752 k( 317) = ( 0.5960072 -0.2817706 -0.2817706), wk = 0.0024752 k( 318) = ( 0.5931834 -0.2734832 -0.2734832), wk = 0.0024752 k( 319) = ( 0.5903597 -0.2651959 -0.2651959), wk = 0.0024752 k( 320) = ( 0.5875360 -0.2569085 -0.2569085), wk = 0.0024752 k( 321) = ( 0.5847122 -0.2486211 -0.2486211), wk = 0.0024752 k( 322) = ( 0.5818885 -0.2403338 -0.2403337), wk = 0.0024752 k( 323) = ( 0.5790647 -0.2320464 -0.2320464), wk = 0.0024752 k( 324) = ( 0.5762410 -0.2237590 -0.2237590), wk = 0.0024752 k( 325) = ( 0.5734172 -0.2154716 -0.2154716), wk = 0.0024752 k( 326) = ( 0.5705935 -0.2071843 -0.2071843), wk = 0.0024752 k( 327) = ( 0.5677698 -0.1988969 -0.1988969), wk = 0.0024752 k( 328) = ( 0.5649460 -0.1906095 -0.1906095), wk = 0.0024752 k( 329) = ( 0.5621223 -0.1823222 -0.1823221), wk = 0.0024752 k( 330) = ( 0.5592985 -0.1740348 -0.1740348), wk = 0.0024752 k( 331) = ( 0.5564748 -0.1657474 -0.1657474), wk = 0.0024752 k( 332) = ( 0.5536511 -0.1574600 -0.1574600), wk = 0.0024752 k( 333) = ( 0.5508273 -0.1491727 -0.1491727), wk = 0.0024752 k( 334) = ( 0.5480036 -0.1408853 -0.1408853), wk = 0.0024752 k( 335) = ( 0.5451799 -0.1325979 -0.1325979), wk = 0.0024752 k( 336) = ( 0.5423561 -0.1243106 -0.1243106), wk = 0.0024752 k( 337) = ( 0.5395324 -0.1160232 -0.1160232), wk = 0.0024752 k( 338) = ( 0.5367086 -0.1077358 -0.1077358), wk = 0.0024752 k( 339) = ( 0.5338849 -0.0994485 -0.0994484), wk = 0.0024752 k( 340) = ( 0.5310611 -0.0911611 -0.0911611), wk = 0.0024752 k( 341) = ( 0.5282374 -0.0828737 -0.0828737), wk = 0.0024752 k( 342) = ( 0.5254137 -0.0745863 -0.0745863), wk = 0.0024752 k( 343) = ( 0.5225899 -0.0662990 -0.0662990), wk = 0.0024752 k( 344) = ( 0.5197662 -0.0580116 -0.0580116), wk = 0.0024752 k( 345) = ( 0.5169424 -0.0497242 -0.0497242), wk = 0.0024752 k( 346) = ( 0.5141187 -0.0414369 -0.0414368), wk = 0.0024752 k( 347) = ( 0.5112950 -0.0331495 -0.0331495), wk = 0.0024752 k( 348) = ( 0.5084712 -0.0248621 -0.0248621), wk = 0.0024752 k( 349) = ( 0.5056475 -0.0165747 -0.0165747), wk = 0.0024752 k( 350) = ( 0.5028237 -0.0082874 -0.0082874), wk = 0.0024752 k( 351) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024752 k( 352) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024752 k( 353) = ( 0.5000000 -0.0096154 0.0096154), wk = 0.0024752 k( 354) = ( 0.5000000 -0.0192308 0.0192308), wk = 0.0024752 k( 355) = ( 0.5000000 -0.0288462 0.0288461), wk = 0.0024752 k( 356) = ( 0.5000000 -0.0384615 0.0384615), wk = 0.0024752 k( 357) = ( 0.5000000 -0.0480769 0.0480769), wk = 0.0024752 k( 358) = ( 0.5000000 -0.0576923 0.0576923), wk = 0.0024752 k( 359) = ( 0.5000000 -0.0673077 0.0673077), wk = 0.0024752 k( 360) = ( 0.5000000 -0.0769231 0.0769231), wk = 0.0024752 k( 361) = ( 0.5000000 -0.0865385 0.0865385), wk = 0.0024752 k( 362) = ( 0.5000000 -0.0961539 0.0961538), wk = 0.0024752 k( 363) = ( 0.5000000 -0.1057692 0.1057692), wk = 0.0024752 k( 364) = ( 0.5000000 -0.1153846 0.1153846), wk = 0.0024752 k( 365) = ( 0.5000000 -0.1250000 0.1250000), wk = 0.0024752 k( 366) = ( 0.5000000 -0.1346154 0.1346154), wk = 0.0024752 k( 367) = ( 0.5000000 -0.1442308 0.1442308), wk = 0.0024752 k( 368) = ( 0.5000000 -0.1538462 0.1538461), wk = 0.0024752 k( 369) = ( 0.5000000 -0.1634615 0.1634615), wk = 0.0024752 k( 370) = ( 0.5000000 -0.1730769 0.1730769), wk = 0.0024752 k( 371) = ( 0.5000000 -0.1826923 0.1826923), wk = 0.0024752 k( 372) = ( 0.5000000 -0.1923077 0.1923077), wk = 0.0024752 k( 373) = ( 0.5000000 -0.2019231 0.2019231), wk = 0.0024752 k( 374) = ( 0.5000000 -0.2115385 0.2115385), wk = 0.0024752 k( 375) = ( 0.5000000 -0.2211539 0.2211539), wk = 0.0024752 k( 376) = ( 0.5000000 -0.2307692 0.2307692), wk = 0.0024752 k( 377) = ( 0.5000000 -0.2403846 0.2403846), wk = 0.0024752 k( 378) = ( 0.5000000 -0.2500000 0.2500000), wk = 0.0024752 k( 379) = ( 0.5000000 -0.2596154 0.2596154), wk = 0.0024752 k( 380) = ( 0.5000000 -0.2692308 0.2692308), wk = 0.0024752 k( 381) = ( 0.5000000 -0.2788462 0.2788461), wk = 0.0024752 k( 382) = ( 0.5000000 -0.2884615 0.2884615), wk = 0.0024752 k( 383) = ( 0.5000000 -0.2980769 0.2980769), wk = 0.0024752 k( 384) = ( 0.5000000 -0.3076923 0.3076923), wk = 0.0024752 k( 385) = ( 0.5000000 -0.3173077 0.3173077), wk = 0.0024752 k( 386) = ( 0.5000000 -0.3269231 0.3269231), wk = 0.0024752 k( 387) = ( 0.5000000 -0.3365385 0.3365385), wk = 0.0024752 k( 388) = ( 0.5000000 -0.3461538 0.3461538), wk = 0.0024752 k( 389) = ( 0.5000000 -0.3557692 0.3557692), wk = 0.0024752 k( 390) = ( 0.5000000 -0.3653846 0.3653846), wk = 0.0024752 k( 391) = ( 0.5000000 -0.3750000 0.3750000), wk = 0.0024752 k( 392) = ( 0.5000000 -0.3846154 0.3846154), wk = 0.0024752 k( 393) = ( 0.5000000 -0.3942308 0.3942308), wk = 0.0024752 k( 394) = ( 0.5000000 -0.4038462 0.4038462), wk = 0.0024752 k( 395) = ( 0.5000000 -0.4134615 0.4134615), wk = 0.0024752 k( 396) = ( 0.5000000 -0.4230769 0.4230769), wk = 0.0024752 k( 397) = ( 0.5000000 -0.4326923 0.4326923), wk = 0.0024752 k( 398) = ( 0.5000000 -0.4423077 0.4423077), wk = 0.0024752 k( 399) = ( 0.5000000 -0.4519231 0.4519231), wk = 0.0024752 k( 400) = ( 0.5000000 -0.4615385 0.4615385), wk = 0.0024752 k( 401) = ( 0.5000000 -0.4711538 0.4711538), wk = 0.0024752 k( 402) = ( 0.5000000 -0.4807692 0.4807692), wk = 0.0024752 k( 403) = ( 0.5000000 -0.4903846 0.4903846), wk = 0.0024752 k( 404) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0024752 Dense grid: 42099 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 162, 38) NL pseudopotentials 0.20 Mb ( 81, 164) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 583) G-vector shells 0.00 Mb ( 500) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 162, 152) Each subspace H/S matrix 0.01 Mb ( 25, 25) Each matrix 0.19 Mb ( 164, 2, 38) The potential is recalculated from file : ./CsICl2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 14.9 secs Computing kpt #: 10 total cpu time spent up to now is 16.0 secs Computing kpt #: 11 total cpu time spent up to now is 19.9 secs Computing kpt #: 12 total cpu time spent up to now is 21.0 secs Computing kpt #: 13 total cpu time spent up to now is 22.9 secs Computing kpt #: 14 total cpu time spent up to now is 24.0 secs Computing kpt #: 15 total cpu time spent up to now is 25.0 secs Computing kpt #: 16 total cpu time spent up to now is 26.1 secs Computing kpt #: 17 total cpu time spent up to now is 27.3 secs Computing kpt #: 18 total cpu time spent up to now is 28.5 secs Computing kpt #: 19 total cpu time spent up to now is 29.6 secs Computing kpt #: 20 total cpu time spent up to now is 30.8 secs Computing kpt #: 21 total cpu time spent up to now is 32.0 secs Computing kpt #: 22 total cpu time spent up to now is 33.1 secs Computing kpt #: 23 total cpu time spent up to now is 34.3 secs Computing kpt #: 24 total cpu time spent up to now is 35.6 secs Computing kpt #: 25 total cpu time spent up to now is 36.8 secs Computing kpt #: 26 total cpu time spent up to now is 38.0 secs Computing kpt #: 27 total cpu time spent up to now is 39.1 secs Computing kpt #: 28 total cpu time spent up to now is 40.2 secs Computing kpt #: 29 total cpu time spent up to now is 41.4 secs Computing kpt #: 30 total cpu time spent up to now is 42.8 secs Computing kpt #: 31 total cpu time spent up to now is 44.1 secs Computing kpt #: 32 total cpu time spent up to now is 45.3 secs Computing kpt #: 33 total cpu time spent up to now is 46.6 secs Computing kpt #: 34 total cpu time spent up to now is 47.9 secs Computing kpt #: 35 total cpu time spent up to now is 49.3 secs Computing kpt #: 36 total cpu time spent up to now is 50.4 secs Computing kpt #: 37 total cpu time spent up to now is 51.8 secs Computing kpt #: 38 total cpu time spent up to now is 53.1 secs Computing kpt #: 39 total cpu time spent up to now is 54.4 secs Computing kpt #: 40 total cpu time spent up to now is 55.7 secs Computing kpt #: 41 total cpu time spent up to now is 56.9 secs Computing kpt #: 42 total cpu time spent up to now is 58.3 secs Computing kpt #: 43 total cpu time spent up to now is 59.7 secs Computing kpt #: 44 total cpu time spent up to now is 60.9 secs Computing kpt #: 45 total cpu time spent up to now is 62.2 secs Computing kpt #: 46 total cpu time spent up to now is 63.5 secs Computing kpt #: 47 total cpu time spent up to now is 64.9 secs Computing kpt #: 48 total cpu time spent up to now is 66.1 secs Computing kpt #: 49 total cpu time spent up to now is 67.4 secs Computing kpt #: 50 total cpu time spent up to now is 68.4 secs Computing kpt #: 51 total cpu time spent up to now is 69.6 secs Computing kpt #: 52 total cpu time spent up to now is 70.7 secs Computing kpt #: 53 total cpu time spent up to now is 71.7 secs Computing kpt #: 54 total cpu time spent up to now is 72.7 secs Computing kpt #: 55 total cpu time spent up to now is 73.7 secs Computing kpt #: 56 total cpu time spent up to now is 74.6 secs Computing kpt #: 57 total cpu time spent up to now is 75.6 secs Computing kpt #: 58 total cpu time spent up to now is 76.6 secs Computing kpt #: 59 total cpu time spent up to now is 77.5 secs Computing kpt #: 60 total cpu time spent up to now is 78.4 secs Computing kpt #: 61 total cpu time spent up to now is 79.4 secs Computing kpt #: 62 total cpu time spent up to now is 80.3 secs Computing kpt #: 63 total cpu time spent up to now is 81.2 secs Computing kpt #: 64 total cpu time spent up to now is 82.0 secs Computing kpt #: 65 total cpu time spent up to now is 82.9 secs Computing kpt #: 66 total cpu time spent up to now is 83.8 secs Computing kpt #: 67 total cpu time spent up to now is 84.9 secs Computing kpt #: 68 total cpu time spent up to now is 85.9 secs Computing kpt #: 69 total cpu time spent up to now is 86.9 secs Computing kpt #: 70 total cpu time spent up to now is 87.8 secs Computing kpt #: 71 total cpu time spent up to now is 88.8 secs Computing kpt #: 72 total cpu time spent up to now is 89.9 secs Computing kpt #: 73 total cpu time spent up to now is 91.0 secs Computing kpt #: 74 total cpu time spent up to now is 92.0 secs Computing kpt #: 75 total cpu time spent up to now is 93.1 secs Computing kpt #: 76 total cpu time spent up to now is 94.2 secs Computing kpt #: 77 total cpu time spent up to now is 95.4 secs Computing kpt #: 78 total cpu time spent up to now is 96.6 secs Computing kpt #: 79 total cpu time spent up to now is 97.8 secs Computing kpt #: 80 total cpu time spent up to now is 98.9 secs Computing kpt #: 81 total cpu time spent up to now is 100.0 secs Computing kpt #: 82 total cpu time spent up to now is 101.3 secs Computing kpt #: 83 total cpu time spent up to now is 102.7 secs Computing kpt #: 84 total cpu time spent up to now is 103.9 secs Computing kpt #: 85 total cpu time spent up to now is 105.1 secs Computing kpt #: 86 total cpu time spent up to now is 106.2 secs Computing kpt #: 87 total cpu time spent up to now is 107.4 secs Computing kpt #: 88 total cpu time spent up to now is 108.8 secs Computing kpt #: 89 total cpu time spent up to now is 110.1 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.8 secs Computing kpt #: 91 total cpu time spent up to now is 116.6 secs Computing kpt #: 92 total cpu time spent up to now is 118.7 secs Computing kpt #: 93 total cpu time spent up to now is 120.1 secs Computing kpt #: 94 total cpu time spent up to now is 121.4 secs Computing kpt #: 95 total cpu time spent up to now is 122.5 secs Computing kpt #: 96 total cpu time spent up to now is 123.8 secs Computing kpt #: 97 total cpu time spent up to now is 125.1 secs Computing kpt #: 98 total cpu time spent up to now is 126.4 secs Computing kpt #: 99 total cpu time spent up to now is 127.7 secs Computing kpt #: 100 total cpu time spent up to now is 128.9 secs Computing kpt #: 101 total cpu time spent up to now is 130.8 secs Computing kpt #: 102 total cpu time spent up to now is 132.0 secs Computing kpt #: 103 total cpu time spent up to now is 133.2 secs Computing kpt #: 104 total cpu time spent up to now is 134.3 secs Computing kpt #: 105 total cpu time spent up to now is 135.4 secs Computing kpt #: 106 total cpu time spent up to now is 136.5 secs Computing kpt #: 107 total cpu time spent up to now is 137.7 secs Computing kpt #: 108 total cpu time spent up to now is 138.8 secs Computing kpt #: 109 total cpu time spent up to now is 139.9 secs Computing kpt #: 110 total cpu time spent up to now is 141.0 secs Computing kpt #: 111 total cpu time spent up to now is 142.2 secs Computing kpt #: 112 total cpu time spent up to now is 143.3 secs Computing kpt #: 113 total cpu time spent up to now is 144.5 secs Computing kpt #: 114 total cpu time spent up to now is 145.6 secs Computing kpt #: 115 total cpu time spent up to now is 146.8 secs Computing kpt #: 116 total cpu time spent up to now is 148.2 secs Computing kpt #: 117 total cpu time spent up to now is 149.4 secs Computing kpt #: 118 total cpu time spent up to now is 150.6 secs Computing kpt #: 119 total cpu time spent up to now is 151.7 secs Computing kpt #: 120 total cpu time spent up to now is 152.9 secs Computing kpt #: 121 total cpu time spent up to now is 154.0 secs Computing kpt #: 122 total cpu time spent up to now is 155.2 secs Computing kpt #: 123 total cpu time spent up to now is 156.3 secs Computing kpt #: 124 total cpu time spent up to now is 157.5 secs Computing kpt #: 125 total cpu time spent up to now is 158.7 secs Computing kpt #: 126 total cpu time spent up to now is 160.0 secs Computing kpt #: 127 total cpu time spent up to now is 161.3 secs Computing kpt #: 128 total cpu time spent up to now is 162.5 secs Computing kpt #: 129 total cpu time spent up to now is 163.9 secs Computing kpt #: 130 total cpu time spent up to now is 165.3 secs Computing kpt #: 131 total cpu time spent up to now is 166.6 secs Computing kpt #: 132 total cpu time spent up to now is 168.1 secs Computing kpt #: 133 total cpu time spent up to now is 169.4 secs Computing kpt #: 134 total cpu time spent up to now is 170.9 secs Computing kpt #: 135 total cpu time spent up to now is 172.5 secs Computing kpt #: 136 total cpu time spent up to now is 174.0 secs Computing kpt #: 137 total cpu time spent up to now is 175.7 secs Computing kpt #: 138 total cpu time spent up to now is 177.2 secs Computing kpt #: 139 total cpu time spent up to now is 178.8 secs Computing kpt #: 140 total cpu time spent up to now is 180.8 secs Computing kpt #: 141 total cpu time spent up to now is 182.7 secs Computing kpt #: 142 total cpu time spent up to now is 184.9 secs Computing kpt #: 143 total cpu time spent up to now is 186.4 secs Computing kpt #: 144 total cpu time spent up to now is 187.8 secs Computing kpt #: 145 total cpu time spent up to now is 188.9 secs Computing kpt #: 146 total cpu time spent up to now is 191.0 secs Computing kpt #: 147 total cpu time spent up to now is 192.9 secs Computing kpt #: 148 total cpu time spent up to now is 194.9 secs Computing kpt #: 149 total cpu time spent up to now is 196.8 secs Computing kpt #: 150 total cpu time spent up to now is 198.5 secs Computing kpt #: 151 total cpu time spent up to now is 199.8 secs Computing kpt #: 152 total cpu time spent up to now is 201.1 secs Computing kpt #: 153 total cpu time spent up to now is 202.6 secs Computing kpt #: 154 total cpu time spent up to now is 203.7 secs Computing kpt #: 155 total cpu time spent up to now is 204.9 secs Computing kpt #: 156 total cpu time spent up to now is 205.9 secs Computing kpt #: 157 total cpu time spent up to now is 207.2 secs Computing kpt #: 158 total cpu time spent up to now is 208.1 secs Computing kpt #: 159 total cpu time spent up to now is 209.2 secs Computing kpt #: 160 total cpu time spent up to now is 210.3 secs Computing kpt #: 161 total cpu time spent up to now is 211.4 secs Computing kpt #: 162 total cpu time spent up to now is 212.2 secs Computing kpt #: 163 total cpu time spent up to now is 213.1 secs Computing kpt #: 164 total cpu time spent up to now is 214.0 secs Computing kpt #: 165 total cpu time spent up to now is 214.9 secs Computing kpt #: 166 total cpu time spent up to now is 215.9 secs Computing kpt #: 167 total cpu time spent up to now is 216.8 secs Computing kpt #: 168 total cpu time spent up to now is 217.7 secs Computing kpt #: 169 total cpu time spent up to now is 218.5 secs Computing kpt #: 170 total cpu time spent up to now is 219.4 secs Computing kpt #: 171 total cpu time spent up to now is 220.3 secs Computing kpt #: 172 total cpu time spent up to now is 221.1 secs Computing kpt #: 173 total cpu time spent up to now is 222.0 secs Computing kpt #: 174 total cpu time spent up to now is 222.8 secs Computing kpt #: 175 total cpu time spent up to now is 223.6 secs Computing kpt #: 176 total cpu time spent up to now is 224.3 secs Computing kpt #: 177 total cpu time spent up to now is 225.1 secs Computing kpt #: 178 total cpu time spent up to now is 225.9 secs Computing kpt #: 179 total cpu time spent up to now is 226.7 secs Computing kpt #: 180 total cpu time spent up to now is 227.5 secs Computing kpt #: 181 total cpu time spent up to now is 228.4 secs Computing kpt #: 182 total cpu time spent up to now is 229.3 secs Computing kpt #: 183 total cpu time spent up to now is 230.1 secs Computing kpt #: 184 total cpu time spent up to now is 230.9 secs Computing kpt #: 185 total cpu time spent up to now is 231.7 secs Computing kpt #: 186 total cpu time spent up to now is 232.8 secs Computing kpt #: 187 total cpu time spent up to now is 233.6 secs Computing kpt #: 188 total cpu time spent up to now is 234.5 secs Computing kpt #: 189 total cpu time spent up to now is 235.3 secs Computing kpt #: 190 total cpu time spent up to now is 236.2 secs Computing kpt #: 191 total cpu time spent up to now is 237.0 secs Computing kpt #: 192 total cpu time spent up to now is 238.0 secs Computing kpt #: 193 total cpu time spent up to now is 238.8 secs Computing kpt #: 194 total cpu time spent up to now is 239.9 secs Computing kpt #: 195 total cpu time spent up to now is 240.8 secs Computing kpt #: 196 total cpu time spent up to now is 241.9 secs Computing kpt #: 197 total cpu time spent up to now is 242.8 secs Computing kpt #: 198 total cpu time spent up to now is 243.9 secs Computing kpt #: 199 total cpu time spent up to now is 245.0 secs Computing kpt #: 200 total cpu time spent up to now is 246.5 secs Computing kpt #: 201 total cpu time spent up to now is 247.6 secs Computing kpt #: 202 total cpu time spent up to now is 248.9 secs Computing kpt #: 203 total cpu time spent up to now is 250.2 secs Computing kpt #: 204 total cpu time spent up to now is 251.5 secs Computing kpt #: 205 total cpu time spent up to now is 252.6 secs Computing kpt #: 206 total cpu time spent up to now is 254.3 secs Computing kpt #: 207 total cpu time spent up to now is 255.5 secs Computing kpt #: 208 total cpu time spent up to now is 256.5 secs Computing kpt #: 209 total cpu time spent up to now is 257.8 secs Computing kpt #: 210 total cpu time spent up to now is 258.9 secs Computing kpt #: 211 total cpu time spent up to now is 260.1 secs Computing kpt #: 212 total cpu time spent up to now is 261.3 secs Computing kpt #: 213 total cpu time spent up to now is 262.3 secs Computing kpt #: 214 total cpu time spent up to now is 263.7 secs Computing kpt #: 215 total cpu time spent up to now is 264.9 secs Computing kpt #: 216 total cpu time spent up to now is 266.2 secs Computing kpt #: 217 total cpu time spent up to now is 267.2 secs Computing kpt #: 218 total cpu time spent up to now is 268.4 secs Computing kpt #: 219 total cpu time spent up to now is 269.5 secs Computing kpt #: 220 total cpu time spent up to now is 270.6 secs Computing kpt #: 221 total cpu time spent up to now is 271.8 secs Computing kpt #: 222 total cpu time spent up to now is 272.9 secs Computing kpt #: 223 total cpu time spent up to now is 274.0 secs Computing kpt #: 224 total cpu time spent up to now is 275.1 secs Computing kpt #: 225 total cpu time spent up to now is 276.3 secs Computing kpt #: 226 total cpu time spent up to now is 277.4 secs Computing kpt #: 227 total cpu time spent up to now is 278.5 secs Computing kpt #: 228 total cpu time spent up to now is 279.6 secs Computing kpt #: 229 total cpu time spent up to now is 280.7 secs Computing kpt #: 230 total cpu time spent up to now is 281.9 secs Computing kpt #: 231 total cpu time spent up to now is 283.0 secs Computing kpt #: 232 total cpu time spent up to now is 284.2 secs Computing kpt #: 233 total cpu time spent up to now is 285.3 secs Computing kpt #: 234 total cpu time spent up to now is 286.4 secs Computing kpt #: 235 total cpu time spent up to now is 287.5 secs Computing kpt #: 236 total cpu time spent up to now is 288.7 secs Computing kpt #: 237 total cpu time spent up to now is 290.0 secs Computing kpt #: 238 total cpu time spent up to now is 291.3 secs Computing kpt #: 239 total cpu time spent up to now is 292.5 secs Computing kpt #: 240 total cpu time spent up to now is 293.8 secs Computing kpt #: 241 total cpu time spent up to now is 295.0 secs Computing kpt #: 242 total cpu time spent up to now is 296.3 secs Computing kpt #: 243 total cpu time spent up to now is 297.7 secs Computing kpt #: 244 total cpu time spent up to now is 298.9 secs Computing kpt #: 245 total cpu time spent up to now is 300.3 secs Computing kpt #: 246 total cpu time spent up to now is 301.6 secs Computing kpt #: 247 total cpu time spent up to now is 303.0 secs Computing kpt #: 248 total cpu time spent up to now is 304.3 secs Computing kpt #: 249 total cpu time spent up to now is 305.6 secs Computing kpt #: 250 total cpu time spent up to now is 306.8 secs Computing kpt #: 251 total cpu time spent up to now is 308.2 secs Computing kpt #: 252 total cpu time spent up to now is 309.3 secs Computing kpt #: 253 total cpu time spent up to now is 310.5 secs Computing kpt #: 254 total cpu time spent up to now is 311.8 secs Computing kpt #: 255 total cpu time spent up to now is 313.1 secs Computing kpt #: 256 total cpu time spent up to now is 314.3 secs Computing kpt #: 257 total cpu time spent up to now is 315.5 secs Computing kpt #: 258 total cpu time spent up to now is 316.7 secs Computing kpt #: 259 total cpu time spent up to now is 317.9 secs Computing kpt #: 260 total cpu time spent up to now is 319.2 secs Computing kpt #: 261 total cpu time spent up to now is 320.3 secs Computing kpt #: 262 total cpu time spent up to now is 321.3 secs Computing kpt #: 263 total cpu time spent up to now is 322.4 secs Computing kpt #: 264 total cpu time spent up to now is 323.6 secs Computing kpt #: 265 total cpu time spent up to now is 324.9 secs Computing kpt #: 266 total cpu time spent up to now is 326.0 secs Computing kpt #: 267 total cpu time spent up to now is 327.2 secs Computing kpt #: 268 total cpu time spent up to now is 328.5 secs Computing kpt #: 269 total cpu time spent up to now is 329.6 secs Computing kpt #: 270 total cpu time spent up to now is 330.9 secs Computing kpt #: 271 total cpu time spent up to now is 332.2 secs Computing kpt #: 272 total cpu time spent up to now is 333.6 secs Computing kpt #: 273 total cpu time spent up to now is 334.8 secs Computing kpt #: 274 total cpu time spent up to now is 336.3 secs Computing kpt #: 275 total cpu time spent up to now is 337.9 secs Computing kpt #: 276 total cpu time spent up to now is 339.6 secs Computing kpt #: 277 total cpu time spent up to now is 341.0 secs Computing kpt #: 278 total cpu time spent up to now is 342.4 secs Computing kpt #: 279 total cpu time spent up to now is 343.6 secs Computing kpt #: 280 total cpu time spent up to now is 344.8 secs Computing kpt #: 281 total cpu time spent up to now is 345.8 secs Computing kpt #: 282 total cpu time spent up to now is 346.7 secs Computing kpt #: 283 total cpu time spent up to now is 347.6 secs Computing kpt #: 284 total cpu time spent up to now is 348.7 secs Computing kpt #: 285 total cpu time spent up to now is 349.6 secs Computing kpt #: 286 total cpu time spent up to now is 350.6 secs Computing kpt #: 287 total cpu time spent up to now is 351.6 secs Computing kpt #: 288 total cpu time spent up to now is 352.5 secs Computing kpt #: 289 total cpu time spent up to now is 353.5 secs Computing kpt #: 290 total cpu time spent up to now is 354.5 secs Computing kpt #: 291 total cpu time spent up to now is 355.4 secs Computing kpt #: 292 total cpu time spent up to now is 356.3 secs Computing kpt #: 293 total cpu time spent up to now is 357.3 secs Computing kpt #: 294 total cpu time spent up to now is 358.2 secs Computing kpt #: 295 total cpu time spent up to now is 359.2 secs Computing kpt #: 296 total cpu time spent up to now is 360.2 secs Computing kpt #: 297 total cpu time spent up to now is 361.0 secs Computing kpt #: 298 total cpu time spent up to now is 361.8 secs Computing kpt #: 299 total cpu time spent up to now is 362.6 secs Computing kpt #: 300 total cpu time spent up to now is 363.5 secs Computing kpt #: 301 total cpu time spent up to now is 364.4 secs Computing kpt #: 302 total cpu time spent up to now is 365.2 secs Computing kpt #: 303 total cpu time spent up to now is 366.1 secs Computing kpt #: 304 total cpu time spent up to now is 367.1 secs Computing kpt #: 305 total cpu time spent up to now is 368.4 secs Computing kpt #: 306 total cpu time spent up to now is 369.6 secs Computing kpt #: 307 total cpu time spent up to now is 371.2 secs Computing kpt #: 308 total cpu time spent up to now is 373.3 secs Computing kpt #: 309 total cpu time spent up to now is 375.1 secs Computing kpt #: 310 total cpu time spent up to now is 376.5 secs Computing kpt #: 311 total cpu time spent up to now is 378.1 secs Computing kpt #: 312 total cpu time spent up to now is 379.5 secs Computing kpt #: 313 total cpu time spent up to now is 380.7 secs Computing kpt #: 314 total cpu time spent up to now is 382.1 secs Computing kpt #: 315 total cpu time spent up to now is 383.4 secs Computing kpt #: 316 total cpu time spent up to now is 384.7 secs Computing kpt #: 317 total cpu time spent up to now is 386.2 secs Computing kpt #: 318 total cpu time spent up to now is 387.3 secs Computing kpt #: 319 total cpu time spent up to now is 388.4 secs Computing kpt #: 320 total cpu time spent up to now is 389.5 secs Computing kpt #: 321 total cpu time spent up to now is 390.6 secs Computing kpt #: 322 total cpu time spent up to now is 391.6 secs Computing kpt #: 323 total cpu time spent up to now is 392.5 secs Computing kpt #: 324 total cpu time spent up to now is 393.5 secs Computing kpt #: 325 total cpu time spent up to now is 394.5 secs Computing kpt #: 326 total cpu time spent up to now is 395.5 secs Computing kpt #: 327 total cpu time spent up to now is 396.5 secs Computing kpt #: 328 total cpu time spent up to now is 397.5 secs Computing kpt #: 329 total cpu time spent up to now is 398.4 secs Computing kpt #: 330 total cpu time spent up to now is 399.2 secs Computing kpt #: 331 total cpu time spent up to now is 400.0 secs Computing kpt #: 332 total cpu time spent up to now is 400.9 secs Computing kpt #: 333 total cpu time spent up to now is 401.8 secs Computing kpt #: 334 total cpu time spent up to now is 402.6 secs Computing kpt #: 335 total cpu time spent up to now is 403.5 secs Computing kpt #: 336 total cpu time spent up to now is 404.4 secs Computing kpt #: 337 total cpu time spent up to now is 405.3 secs Computing kpt #: 338 total cpu time spent up to now is 406.1 secs Computing kpt #: 339 total cpu time spent up to now is 407.0 secs Computing kpt #: 340 total cpu time spent up to now is 407.8 secs Computing kpt #: 341 total cpu time spent up to now is 408.7 secs Computing kpt #: 342 total cpu time spent up to now is 409.5 secs Computing kpt #: 343 total cpu time spent up to now is 410.4 secs Computing kpt #: 344 total cpu time spent up to now is 411.1 secs Computing kpt #: 345 total cpu time spent up to now is 411.9 secs Computing kpt #: 346 total cpu time spent up to now is 412.7 secs Computing kpt #: 347 total cpu time spent up to now is 413.5 secs Computing kpt #: 348 total cpu time spent up to now is 414.3 secs Computing kpt #: 349 total cpu time spent up to now is 415.1 secs Computing kpt #: 350 total cpu time spent up to now is 415.9 secs Computing kpt #: 351 total cpu time spent up to now is 416.8 secs Computing kpt #: 352 total cpu time spent up to now is 417.6 secs Computing kpt #: 353 total cpu time spent up to now is 418.4 secs Computing kpt #: 354 total cpu time spent up to now is 419.1 secs Computing kpt #: 355 total cpu time spent up to now is 419.8 secs Computing kpt #: 356 total cpu time spent up to now is 420.7 secs Computing kpt #: 357 total cpu time spent up to now is 421.4 secs Computing kpt #: 358 total cpu time spent up to now is 422.2 secs Computing kpt #: 359 total cpu time spent up to now is 423.0 secs Computing kpt #: 360 total cpu time spent up to now is 423.9 secs Computing kpt #: 361 total cpu time spent up to now is 424.6 secs Computing kpt #: 362 total cpu time spent up to now is 425.4 secs Computing kpt #: 363 total cpu time spent up to now is 426.1 secs Computing kpt #: 364 total cpu time spent up to now is 427.0 secs Computing kpt #: 365 total cpu time spent up to now is 427.8 secs Computing kpt #: 366 total cpu time spent up to now is 428.6 secs Computing kpt #: 367 total cpu time spent up to now is 429.4 secs Computing kpt #: 368 total cpu time spent up to now is 430.3 secs Computing kpt #: 369 total cpu time spent up to now is 431.2 secs Computing kpt #: 370 total cpu time spent up to now is 432.3 secs Computing kpt #: 371 total cpu time spent up to now is 433.3 secs Computing kpt #: 372 total cpu time spent up to now is 434.3 secs Computing kpt #: 373 total cpu time spent up to now is 435.6 secs Computing kpt #: 374 total cpu time spent up to now is 436.7 secs Computing kpt #: 375 total cpu time spent up to now is 437.8 secs Computing kpt #: 376 total cpu time spent up to now is 439.0 secs Computing kpt #: 377 total cpu time spent up to now is 440.2 secs Computing kpt #: 378 total cpu time spent up to now is 441.5 secs Computing kpt #: 379 total cpu time spent up to now is 442.8 secs Computing kpt #: 380 total cpu time spent up to now is 443.9 secs Computing kpt #: 381 total cpu time spent up to now is 445.0 secs Computing kpt #: 382 total cpu time spent up to now is 446.1 secs Computing kpt #: 383 total cpu time spent up to now is 447.3 secs Computing kpt #: 384 total cpu time spent up to now is 448.3 secs Computing kpt #: 385 total cpu time spent up to now is 449.4 secs Computing kpt #: 386 total cpu time spent up to now is 450.6 secs Computing kpt #: 387 total cpu time spent up to now is 451.7 secs Computing kpt #: 388 total cpu time spent up to now is 453.0 secs Computing kpt #: 389 total cpu time spent up to now is 454.3 secs Computing kpt #: 390 total cpu time spent up to now is 455.7 secs Computing kpt #: 391 total cpu time spent up to now is 457.5 secs Computing kpt #: 392 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 459.8 secs Computing kpt #: 393 total cpu time spent up to now is 461.8 secs Computing kpt #: 394 total cpu time spent up to now is 463.4 secs Computing kpt #: 395 total cpu time spent up to now is 465.0 secs Computing kpt #: 396 total cpu time spent up to now is 466.4 secs Computing kpt #: 397 total cpu time spent up to now is 467.8 secs Computing kpt #: 398 total cpu time spent up to now is 468.9 secs Computing kpt #: 399 total cpu time spent up to now is 470.1 secs Computing kpt #: 400 total cpu time spent up to now is 471.2 secs Computing kpt #: 401 total cpu time spent up to now is 472.3 secs Computing kpt #: 402 total cpu time spent up to now is 473.5 secs Computing kpt #: 403 total cpu time spent up to now is 474.8 secs Computing kpt #: 404 total cpu time spent up to now is 475.8 secs ethr = 3.33E-08, avg # of iterations = 36.3 total cpu time spent up to now is 475.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5249 PWs) bands (ev): -13.1422 -13.1422 -8.5274 -8.5274 -7.8350 -7.8350 -2.6501 -2.6501 -1.7459 -1.7459 1.2642 1.2642 4.9181 4.9181 5.0906 5.0906 5.7825 5.7825 6.2273 6.2273 6.6509 6.6509 14.5304 14.5304 16.5589 16.5589 16.6387 16.6387 16.6651 16.6651 17.0822 17.0822 18.7097 18.7097 18.8194 18.8194 19.0277 19.0277 k = 0.0070-0.0082 0.0069 ( 5247 PWs) bands (ev): -13.1419 -13.1419 -8.5293 -8.5293 -7.8331 -7.8331 -2.6505 -2.6505 -1.7463 -1.7463 1.2631 1.2631 4.9171 4.9171 5.0897 5.0897 5.7844 5.7844 6.2284 6.2284 6.6520 6.6520 14.5321 14.5321 16.5545 16.5545 16.6357 16.6357 16.6693 16.6693 17.0820 17.0820 18.7099 18.7099 18.8188 18.8188 19.0290 19.0290 k = 0.0141-0.0163 0.0137 ( 5245 PWs) bands (ev): -13.1409 -13.1409 -8.5351 -8.5351 -7.8275 -7.8275 -2.6515 -2.6515 -1.7474 -1.7474 1.2598 1.2598 4.9140 4.9140 5.0871 5.0871 5.7899 5.7899 6.2318 6.2318 6.6554 6.6554 14.5372 14.5372 16.5425 16.5425 16.6272 16.6272 16.6800 16.6800 17.0816 17.0816 18.7102 18.7102 18.8164 18.8164 19.0332 19.0332 k = 0.0211-0.0245 0.0206 ( 5249 PWs) bands (ev): -13.1393 -13.1393 -8.5445 -8.5445 -7.8183 -7.8183 -2.6531 -2.6531 -1.7493 -1.7493 1.2543 1.2543 4.9084 4.9084 5.0835 5.0835 5.7986 5.7986 6.2374 6.2374 6.6609 6.6609 14.5456 14.5456 16.5252 16.5252 16.6138 16.6138 16.6944 16.6944 17.0813 17.0813 18.7092 18.7092 18.8115 18.8115 19.0415 19.0415 k = 0.0282-0.0326 0.0275 ( 5245 PWs) bands (ev): -13.1371 -13.1371 -8.5572 -8.5572 -7.8060 -7.8060 -2.6555 -2.6555 -1.7520 -1.7520 1.2466 1.2466 4.8998 4.8998 5.0800 5.0800 5.8102 5.8102 6.2452 6.2452 6.6687 6.6687 14.5572 14.5572 16.5041 16.5041 16.5957 16.5957 16.7107 16.7107 17.0816 17.0816 18.7036 18.7036 18.8044 18.8044 19.0550 19.0550 k = 0.0352-0.0408 0.0343 ( 5247 PWs) bands (ev): -13.1343 -13.1343 -8.5730 -8.5730 -7.7907 -7.7907 -2.6585 -2.6585 -1.7554 -1.7554 1.2367 1.2367 4.8877 4.8877 5.0773 5.0773 5.8240 5.8240 6.2554 6.2554 6.6789 6.6789 14.5719 14.5719 16.4800 16.4800 16.5732 16.5732 16.7279 16.7279 17.0833 17.0833 18.6884 18.6884 18.7983 18.7983 19.0722 19.0722 k = 0.0422-0.0489 0.0412 ( 5243 PWs) bands (ev): -13.1308 -13.1308 -8.5913 -8.5913 -7.7728 -7.7728 -2.6621 -2.6621 -1.7595 -1.7595 1.2247 1.2247 4.8717 4.8717 5.0765 5.0765 5.8393 5.8393 6.2680 6.2680 6.6914 6.6914 14.5895 14.5895 16.4534 16.4534 16.5467 16.5467 16.7451 16.7451 17.0874 17.0874 18.6594 18.6594 18.7970 18.7970 19.0864 19.0864 k = 0.0493-0.0571 0.0480 ( 5241 PWs) bands (ev): -13.1268 -13.1268 -8.6120 -8.6120 -7.7528 -7.7528 -2.6665 -2.6665 -1.7644 -1.7644 1.2106 1.2106 4.8520 4.8520 5.0778 5.0778 5.8557 5.8557 6.2829 6.2829 6.7063 6.7063 14.6098 14.6098 16.4244 16.4244 16.5168 16.5168 16.7615 16.7615 17.0949 17.0949 18.6165 18.6165 18.8014 18.8014 19.0950 19.0950 k = 0.0563-0.0652 0.0549 ( 5245 PWs) bands (ev): -13.1221 -13.1221 -8.6345 -8.6345 -7.7308 -7.7308 -2.6714 -2.6714 -1.7700 -1.7700 1.1943 1.1943 4.8290 4.8290 5.0812 5.0812 5.8726 5.8726 6.3001 6.3001 6.7237 6.7237 14.6325 14.6325 16.3930 16.3930 16.4842 16.4842 16.7761 16.7761 17.1068 17.1068 18.5623 18.5623 18.8102 18.8102 19.1022 19.1022 k = 0.0634-0.0734 0.0618 ( 5252 PWs) bands (ev): -13.1168 -13.1168 -8.6587 -8.6587 -7.7073 -7.7073 -2.6770 -2.6770 -1.7762 -1.7762 1.1760 1.1760 4.8030 4.8030 5.0866 5.0866 5.8898 5.8898 6.3197 6.3197 6.7435 6.7435 14.6573 14.6573 16.3592 16.3592 16.4497 16.4497 16.7880 16.7880 17.1241 17.1241 18.4998 18.4998 18.8224 18.8224 19.1099 19.1099 k = 0.0704-0.0815 0.0686 ( 5247 PWs) bands (ev): -13.1110 -13.1110 -8.6841 -8.6841 -7.6825 -7.6825 -2.6833 -2.6833 -1.7832 -1.7832 1.1556 1.1556 4.7747 4.7747 5.0937 5.0937 5.9070 5.9070 6.3415 6.3415 6.7659 6.7659 14.6839 14.6839 16.3228 16.3228 16.4145 16.4145 16.7969 16.7969 17.1474 17.1474 18.4314 18.4314 18.8373 18.8373 19.1188 19.1188 k = 0.0774-0.0897 0.0755 ( 5250 PWs) bands (ev): -13.1046 -13.1046 -8.7107 -8.7107 -7.6566 -7.6566 -2.6901 -2.6901 -1.7908 -1.7908 1.1332 1.1332 4.7446 4.7446 5.1021 5.1021 5.9240 5.9240 6.3654 6.3654 6.7907 6.7907 14.7121 14.7121 16.2835 16.2835 16.3797 16.3797 16.8022 16.8022 17.1764 17.1764 18.3592 18.3592 18.8545 18.8545 19.1289 19.1289 k = 0.0845-0.0978 0.0824 ( 5252 PWs) bands (ev): -13.0977 -13.0977 -8.7381 -8.7381 -7.6297 -7.6297 -2.6976 -2.6976 -1.7991 -1.7991 1.1089 1.1089 4.7131 4.7131 5.1114 5.1114 5.9409 5.9409 6.3914 6.3914 6.8179 6.8179 14.7414 14.7414 16.2413 16.2413 16.3461 16.3461 16.8044 16.8044 17.2105 17.2105 18.2855 18.2855 18.8740 18.8740 19.1404 19.1404 k = 0.0915-0.1060 0.0892 ( 5249 PWs) bands (ev): -13.0903 -13.0903 -8.7662 -8.7662 -7.6021 -7.6021 -2.7056 -2.7056 -1.8080 -1.8080 1.0826 1.0826 4.6806 4.6806 5.1212 5.1212 5.9579 5.9579 6.4193 6.4193 6.8476 6.8476 14.7716 14.7716 16.1965 16.1965 16.3144 16.3144 16.8036 16.8036 17.2482 17.2482 18.2126 18.2126 18.8957 18.8957 19.1532 19.1532 k = 0.0986-0.1141 0.0961 ( 5244 PWs) bands (ev): -13.0823 -13.0823 -8.7949 -8.7949 -7.5739 -7.5739 -2.7143 -2.7143 -1.8175 -1.8175 1.0545 1.0545 4.6474 4.6474 5.1312 5.1312 5.9751 5.9751 6.4490 6.4490 6.8794 6.8794 14.8023 14.8023 16.1494 16.1494 16.2849 16.2849 16.8004 16.8004 17.2874 17.2874 18.1433 18.1433 18.9193 18.9193 19.1673 19.1673 k = 0.1056-0.1223 0.1029 ( 5249 PWs) bands (ev): -13.0739 -13.0739 -8.8239 -8.8239 -7.5451 -7.5451 -2.7234 -2.7234 -1.8275 -1.8275 1.0244 1.0244 4.6136 4.6136 5.1409 5.1409 5.9928 5.9928 6.4804 6.4804 6.9134 6.9134 14.8331 14.8331 16.1007 16.1007 16.2580 16.2580 16.7951 16.7951 17.3250 17.3250 18.0812 18.0812 18.9448 18.9448 19.1828 19.1828 k = 0.1126-0.1304 0.1098 ( 5251 PWs) bands (ev): -13.0650 -13.0650 -8.8533 -8.8533 -7.5159 -7.5159 -2.7332 -2.7332 -1.8381 -1.8381 0.9926 0.9926 4.5796 4.5796 5.1500 5.1500 6.0114 6.0114 6.5133 6.5133 6.9494 6.9494 14.8638 14.8638 16.0509 16.0509 16.2337 16.2337 16.7880 16.7880 17.3564 17.3564 18.0312 18.0312 18.9721 18.9721 19.1995 19.1995 k = 0.1197-0.1386 0.1167 ( 5251 PWs) bands (ev): -13.0557 -13.0557 -8.8828 -8.8828 -7.4863 -7.4863 -2.7434 -2.7434 -1.8492 -1.8492 0.9591 0.9591 4.5454 4.5454 5.1582 5.1582 6.0311 6.0311 6.5476 6.5476 6.9872 6.9872 14.8941 14.8941 16.0007 16.0007 16.2121 16.2121 16.7795 16.7795 17.3761 17.3761 17.9991 17.9991 19.0012 19.0012 19.2172 19.2172 k = 0.1267-0.1467 0.1235 ( 5253 PWs) bands (ev): -13.0460 -13.0460 -8.9125 -8.9125 -7.4564 -7.4564 -2.7541 -2.7541 -1.8608 -1.8608 0.9238 0.9238 4.5113 4.5113 5.1649 5.1649 6.0524 6.0524 6.5834 6.5834 7.0266 7.0266 14.9237 14.9237 15.9504 15.9504 16.1934 16.1934 16.7697 16.7697 17.3789 17.3789 17.9903 17.9903 19.0318 19.0318 19.2356 19.2356 k = 0.1338-0.1549 0.1304 ( 5253 PWs) bands (ev): -13.0359 -13.0359 -8.9422 -8.9422 -7.4262 -7.4262 -2.7653 -2.7653 -1.8727 -1.8727 0.8869 0.8869 4.4772 4.4772 5.1699 5.1699 6.0756 6.0756 6.6205 6.6205 7.0675 7.0675 14.9524 14.9524 15.9007 15.9007 16.1777 16.1777 16.7587 16.7587 17.3629 17.3629 18.0066 18.0066 19.0640 19.0640 19.2537 19.2537 k = 0.1408-0.1630 0.1373 ( 5250 PWs) bands (ev): -13.0254 -13.0254 -8.9718 -8.9718 -7.3958 -7.3958 -2.7769 -2.7769 -1.8851 -1.8851 0.8484 0.8484 4.4433 4.4433 5.1727 5.1727 6.1011 6.1011 6.6588 6.6588 7.1098 7.1098 14.9800 14.9800 15.8518 15.8518 16.1650 16.1650 16.7467 16.7467 17.3313 17.3313 18.0446 18.0446 19.0975 19.0975 19.2694 19.2694 k = 0.1478-0.1712 0.1441 ( 5254 PWs) bands (ev): -13.0146 -13.0146 -9.0014 -9.0014 -7.3651 -7.3651 -2.7889 -2.7889 -1.8979 -1.8979 0.8084 0.8084 4.4097 4.4097 5.1731 5.1731 6.1291 6.1291 6.6984 6.6984 7.1531 7.1531 15.0063 15.0063 15.8041 15.8041 16.1552 16.1552 16.7335 16.7335 17.2892 17.2892 18.0986 18.0986 19.1323 19.1323 19.2774 19.2774 k = 0.1549-0.1793 0.1510 ( 5264 PWs) bands (ev): -13.0034 -13.0034 -9.0307 -9.0307 -7.3342 -7.3342 -2.8013 -2.8013 -1.9109 -1.9109 0.7669 0.7669 4.3764 4.3764 5.1707 5.1707 6.1599 6.1599 6.7393 6.7393 7.1974 7.1974 15.0313 15.0313 15.7579 15.7579 16.1485 16.1485 16.7194 16.7194 17.2419 17.2419 18.1623 18.1623 19.1680 19.1680 19.2704 19.2704 k = 0.1619-0.1875 0.1578 ( 5258 PWs) bands (ev): -12.9921 -12.9921 -9.0600 -9.0600 -7.3031 -7.3031 -2.8140 -2.8140 -1.9242 -1.9242 0.7240 0.7240 4.3434 4.3434 5.1654 5.1654 6.1936 6.1936 6.7813 6.7813 7.2426 7.2426 15.0550 15.0550 15.7136 15.7136 16.1448 16.1448 16.7043 16.7043 17.1929 17.1929 18.2303 18.2303 19.2044 19.2044 19.2513 19.2513 k = 0.1690-0.1956 0.1647 ( 5254 PWs) bands (ev): -12.9804 -12.9804 -9.0889 -9.0889 -7.2719 -7.2719 -2.8269 -2.8269 -1.9377 -1.9377 0.6797 0.6797 4.3108 4.3108 5.1570 5.1570 6.2304 6.2304 6.8245 6.8245 7.2885 7.2885 15.0773 15.0773 15.6713 15.6713 16.1439 16.1439 16.6882 16.6882 17.1449 17.1449 18.2977 18.2977 19.2257 19.2257 19.2464 19.2464 k = 0.1760-0.2038 0.1716 ( 5260 PWs) bands (ev): -12.9685 -12.9685 -9.1176 -9.1176 -7.2404 -7.2404 -2.8401 -2.8401 -1.9515 -1.9515 0.6341 0.6341 4.2787 4.2787 5.1454 5.1454 6.2703 6.2703 6.8689 6.8689 7.3349 7.3349 15.0983 15.0983 15.6314 15.6314 16.1456 16.1456 16.6712 16.6712 17.0995 17.0995 18.3592 18.3592 19.2131 19.2131 19.2828 19.2828 k = 0.1830-0.2119 0.1784 ( 5260 PWs) bands (ev): -12.9565 -12.9565 -9.1460 -9.1460 -7.2087 -7.2087 -2.8535 -2.8535 -1.9653 -1.9653 0.5873 0.5873 4.2470 4.2470 5.1306 5.1306 6.3133 6.3133 6.9143 6.9143 7.3817 7.3817 15.1182 15.1182 15.5939 15.5939 16.1499 16.1499 16.6534 16.6534 17.0578 17.0578 18.4091 18.4091 19.2115 19.2115 19.3217 19.3217 k = 0.1901-0.2201 0.1853 ( 5258 PWs) bands (ev): -12.9443 -12.9443 -9.1741 -9.1741 -7.1769 -7.1769 -2.8671 -2.8671 -1.9793 -1.9793 0.5393 0.5393 4.2157 4.2157 5.1126 5.1126 6.3593 6.3593 6.9609 6.9609 7.4289 7.4289 15.1370 15.1370 15.5590 15.5590 16.1565 16.1565 16.6349 16.6349 17.0204 17.0204 18.4426 18.4426 19.2275 19.2275 19.3613 19.3613 k = 0.1971-0.2282 0.1922 ( 5253 PWs) bands (ev): -12.9319 -12.9319 -9.2019 -9.2019 -7.1448 -7.1448 -2.8807 -2.8807 -1.9933 -1.9933 0.4901 0.4901 4.1849 4.1849 5.0913 5.0913 6.4083 6.4083 7.0086 7.0086 7.4763 7.4763 15.1550 15.1550 15.5270 15.5270 16.1652 16.1652 16.6159 16.6159 16.9878 16.9878 18.4568 18.4568 19.2634 19.2634 19.4013 19.4013 k = 0.2042-0.2364 0.1990 ( 5257 PWs) bands (ev): -12.9195 -12.9195 -9.2292 -9.2292 -7.1125 -7.1125 -2.8943 -2.8943 -2.0073 -2.0073 0.4399 0.4399 4.1547 4.1547 5.0670 5.0670 6.4601 6.4601 7.0573 7.0573 7.5239 7.5239 15.1723 15.1723 15.4979 15.4979 16.1758 16.1758 16.5966 16.5966 16.9599 16.9599 18.4520 18.4520 19.3179 19.3179 19.4412 19.4412 k = 0.2112-0.2445 0.2059 ( 5263 PWs) bands (ev): -12.9070 -12.9070 -9.2562 -9.2562 -7.0800 -7.0800 -2.9080 -2.9080 -2.0213 -2.0213 0.3887 0.3887 4.1249 4.1249 5.0397 5.0397 6.5144 6.5144 7.1070 7.1070 7.5716 7.5716 15.1891 15.1891 15.4719 15.4719 16.1881 16.1881 16.5770 16.5770 16.9370 16.9370 18.4314 18.4314 19.3869 19.3869 19.4807 19.4807 k = 0.2182-0.2527 0.2128 ( 5259 PWs) bands (ev): -12.8945 -12.8945 -9.2828 -9.2828 -7.0472 -7.0472 -2.9216 -2.9216 -2.0353 -2.0353 0.3365 0.3365 4.0956 4.0956 5.0096 5.0096 6.5712 6.5712 7.1577 7.1577 7.6193 7.6193 15.2055 15.2055 15.4491 15.4491 16.2019 16.2019 16.5574 16.5574 16.9188 16.9188 18.3987 18.3987 19.4645 19.4645 19.5198 19.5198 k = 0.2253-0.2608 0.2196 ( 5262 PWs) bands (ev): -12.8819 -12.8819 -9.3091 -9.3091 -7.0142 -7.0142 -2.9351 -2.9351 -2.0491 -2.0491 0.2835 0.2835 4.0668 4.0668 4.9768 4.9768 6.6302 6.6302 7.2093 7.2093 7.6670 7.6670 15.2218 15.2218 15.4295 15.4295 16.2173 16.2173 16.5378 16.5378 16.9053 16.9053 18.3573 18.3573 19.5373 19.5373 19.5654 19.5654 k = 0.2323-0.2690 0.2265 ( 5267 PWs) bands (ev): -12.8694 -12.8694 -9.3348 -9.3348 -6.9809 -6.9809 -2.9484 -2.9484 -2.0628 -2.0628 0.2296 0.2296 4.0385 4.0385 4.9415 4.9415 6.6912 6.6912 7.2619 7.2619 7.7147 7.7147 15.2380 15.2380 15.4133 15.4133 16.2341 16.2341 16.5181 16.5181 16.8962 16.8962 18.3098 18.3098 19.5768 19.5768 19.6383 19.6383 k = 0.2394-0.2771 0.2333 ( 5267 PWs) bands (ev): -12.8569 -12.8569 -9.3602 -9.3602 -6.9473 -6.9473 -2.9616 -2.9616 -2.0763 -2.0763 0.1749 0.1749 4.0107 4.0107 4.9039 4.9039 6.7540 6.7540 7.3153 7.3153 7.7623 7.7623 15.2543 15.2543 15.4005 15.4005 16.2522 16.2522 16.4985 16.4985 16.8913 16.8913 18.2580 18.2580 19.6017 19.6017 19.7079 19.7079 k = 0.2464-0.2853 0.2402 ( 5271 PWs) bands (ev): -12.8445 -12.8445 -9.3852 -9.3852 -6.9134 -6.9134 -2.9744 -2.9744 -2.0895 -2.0895 0.1196 0.1196 3.9834 3.9834 4.8642 4.8642 6.8183 6.8183 7.3695 7.3695 7.8099 7.8099 15.2706 15.2706 15.3911 15.3911 16.2716 16.2716 16.4787 16.4787 16.8903 16.8903 18.2032 18.2032 19.6179 19.6179 19.7619 19.7619 k = 0.2534-0.2934 0.2471 ( 5271 PWs) bands (ev): -12.8322 -12.8322 -9.4097 -9.4097 -6.8792 -6.8792 -2.9870 -2.9870 -2.1026 -2.1026 0.0636 0.0636 3.9565 3.9565 4.8225 4.8225 6.8840 6.8840 7.4245 7.4245 7.8573 7.8573 15.2871 15.2871 15.3853 15.3853 16.2922 16.2922 16.4591 16.4591 16.8930 16.8930 18.1466 18.1466 19.6254 19.6254 19.8095 19.8095 k = 0.2605-0.3016 0.2539 ( 5277 PWs) bands (ev): -12.8201 -12.8201 -9.4339 -9.4339 -6.8446 -6.8446 -2.9992 -2.9992 -2.1153 -2.1153 0.0070 0.0070 3.9301 3.9301 4.7791 4.7791 6.9507 6.9507 7.4802 7.4802 7.9046 7.9046 15.3036 15.3036 15.3832 15.3832 16.3133 16.3133 16.4400 16.4400 16.8989 16.8989 18.0886 18.0886 19.6242 19.6242 19.8563 19.8563 k = 0.2675-0.3098 0.2608 ( 5280 PWs) bands (ev): -12.8081 -12.8081 -9.4576 -9.4576 -6.8096 -6.8096 -3.0110 -3.0110 -2.1277 -2.1277 -0.0501 -0.0501 3.9042 3.9042 4.7342 4.7342 7.0183 7.0183 7.5366 7.5366 7.9519 7.9519 15.3201 15.3201 15.3848 15.3848 16.3335 16.3335 16.4227 16.4227 16.9077 16.9077 18.0301 18.0301 19.6141 19.6141 19.9037 19.9037 k = 0.2746-0.3179 0.2677 ( 5274 PWs) bands (ev): -12.7962 -12.7962 -9.4809 -9.4809 -6.7742 -6.7742 -3.0224 -3.0224 -2.1398 -2.1398 -0.1077 -0.1077 3.8787 3.8787 4.6881 4.6881 7.0866 7.0866 7.5936 7.5936 7.9990 7.9990 15.3364 15.3364 15.3902 15.3902 16.3474 16.3474 16.4126 16.4126 16.9189 16.9189 17.9716 17.9716 19.5953 19.5953 19.9518 19.9518 k = 0.2816-0.3261 0.2745 ( 5274 PWs) bands (ev): -12.7846 -12.7846 -9.5038 -9.5038 -6.7385 -6.7385 -3.0334 -3.0334 -2.1515 -2.1515 -0.1657 -0.1657 3.8536 3.8536 4.6410 4.6410 7.1552 7.1552 7.6512 7.6512 8.0461 8.0461 15.3523 15.3523 15.3995 15.3995 16.3453 16.3453 16.4192 16.4192 16.9321 16.9321 17.9134 17.9134 19.5678 19.5678 20.0004 20.0004 k = 0.2886-0.3342 0.2814 ( 5282 PWs) bands (ev): -12.7732 -12.7732 -9.5264 -9.5264 -6.7023 -6.7023 -3.0439 -3.0439 -2.1628 -2.1628 -0.2241 -0.2241 3.8289 3.8289 4.5931 4.5931 7.2240 7.2240 7.7092 7.7092 8.0931 8.0931 15.3681 15.3681 15.4124 15.4124 16.3296 16.3296 16.4396 16.4396 16.9468 16.9468 17.8564 17.8564 19.5318 19.5318 20.0493 20.0493 k = 0.2957-0.3424 0.2882 ( 5280 PWs) bands (ev): -12.7621 -12.7621 -9.5485 -9.5485 -6.6656 -6.6656 -3.0538 -3.0538 -2.1736 -2.1736 -0.2827 -0.2827 3.8045 3.8045 4.5447 4.5447 7.2928 7.2928 7.7676 7.7676 8.1401 8.1401 15.3839 15.3839 15.4284 15.4284 16.3087 16.3087 16.4653 16.4653 16.9624 16.9624 17.8010 17.8010 19.4880 19.4880 20.0982 20.0982 k = 0.3027-0.3505 0.2951 ( 5284 PWs) bands (ev): -12.7512 -12.7512 -9.5703 -9.5703 -6.6285 -6.6285 -3.0633 -3.0633 -2.1840 -2.1840 -0.3417 -0.3417 3.7805 3.7805 4.4960 4.4960 7.3612 7.3612 7.8264 7.8264 8.1870 8.1870 15.4000 15.4000 15.4469 15.4469 16.2858 16.2858 16.4926 16.4926 16.9782 16.9782 17.7482 17.7482 19.4369 19.4369 20.1466 20.1466 k = 0.3097-0.3587 0.3020 ( 5280 PWs) bands (ev): -12.7406 -12.7406 -9.5918 -9.5918 -6.5910 -6.5910 -3.0722 -3.0722 -2.1939 -2.1939 -0.4008 -0.4008 3.7568 3.7568 4.4474 4.4474 7.4291 7.4291 7.8855 7.8855 8.2339 8.2339 15.4166 15.4166 15.4677 15.4677 16.2620 16.2620 16.5200 16.5200 16.9933 16.9933 17.6991 17.6991 19.3791 19.3791 20.1925 20.1925 k = 0.3168-0.3668 0.3088 ( 5282 PWs) bands (ev): -12.7303 -12.7303 -9.6129 -9.6129 -6.5529 -6.5529 -3.0805 -3.0805 -2.2033 -2.2033 -0.4601 -0.4601 3.7334 3.7334 4.3989 4.3989 7.4962 7.4962 7.9449 7.9449 8.2809 8.2809 15.4333 15.4333 15.4904 15.4904 16.2379 16.2379 16.5465 16.5465 17.0064 17.0064 17.6549 17.6549 19.3156 19.3156 20.2227 20.2227 k = 0.3238-0.3750 0.3157 ( 5278 PWs) bands (ev): -12.7203 -12.7203 -9.6337 -9.6337 -6.5143 -6.5143 -3.0883 -3.0883 -2.2122 -2.2122 -0.5195 -0.5195 3.7102 3.7102 4.3511 4.3511 7.5624 7.5624 8.0044 8.0044 8.3278 8.3278 15.4498 15.4498 15.5150 15.5150 16.2139 16.2139 16.5711 16.5711 17.0161 17.0161 17.6176 17.6176 19.2471 19.2471 20.2240 20.2240 k = 0.3309-0.3831 0.3226 ( 5276 PWs) bands (ev): -12.7107 -12.7107 -9.6542 -9.6542 -6.4752 -6.4752 -3.0955 -3.0955 -2.2205 -2.2205 -0.5789 -0.5789 3.6872 3.6872 4.3040 4.3040 7.6275 7.6275 8.0640 8.0640 8.3748 8.3748 15.4655 15.4655 15.5415 15.5415 16.1903 16.1903 16.5930 16.5930 17.0204 17.0204 17.5893 17.5893 19.1744 19.1744 20.2149 20.2149 k = 0.3379-0.3913 0.3294 ( 5282 PWs) bands (ev): -12.7013 -12.7013 -9.6744 -9.6744 -6.4356 -6.4356 -3.1022 -3.1022 -2.2283 -2.2283 -0.6384 -0.6384 3.6644 3.6644 4.2579 4.2579 7.6911 7.6911 8.1237 8.1237 8.4217 8.4217 15.4798 15.4798 15.5695 15.5695 16.1677 16.1677 16.6115 16.6115 17.0172 17.0172 17.5720 17.5720 19.0983 19.0983 20.2008 20.2008 k = 0.3449-0.3994 0.3363 ( 5278 PWs) bands (ev): -12.6924 -12.6924 -9.6943 -9.6943 -6.3954 -6.3954 -3.1083 -3.1083 -2.2355 -2.2355 -0.6978 -0.6978 3.6417 3.6417 4.2131 4.2131 7.7533 7.7533 8.1835 8.1835 8.4685 8.4685 15.4923 15.4923 15.5987 15.5987 16.1467 16.1467 16.6258 16.6258 17.0053 17.0053 17.5672 17.5672 19.0195 19.0195 20.1836 20.1836 k = 0.3520-0.4076 0.3431 ( 5284 PWs) bands (ev): -12.6837 -12.6837 -9.7140 -9.7140 -6.3546 -6.3546 -3.1139 -3.1139 -2.2421 -2.2421 -0.7572 -0.7572 3.6191 3.6191 4.1699 4.1699 7.8137 7.8137 8.2433 8.2433 8.5152 8.5152 15.5024 15.5024 15.6284 15.6284 16.1283 16.1283 16.6355 16.6355 16.9844 16.9844 17.5750 17.5750 18.9387 18.9387 20.1641 20.1641 k = 0.3590-0.4157 0.3500 ( 5286 PWs) bands (ev): -12.6754 -12.6754 -9.7334 -9.7334 -6.3133 -6.3133 -3.1189 -3.1189 -2.2481 -2.2481 -0.8164 -0.8164 3.5967 3.5967 4.1284 4.1284 7.8722 7.8722 8.3031 8.3031 8.5617 8.5617 15.5096 15.5096 15.6573 15.6573 16.1134 16.1134 16.6400 16.6400 16.9556 16.9556 17.5940 17.5940 18.8566 18.8566 20.1434 20.1434 k = 0.3661-0.4239 0.3569 ( 5286 PWs) bands (ev): -12.6675 -12.6675 -9.7526 -9.7526 -6.2714 -6.2714 -3.1235 -3.1235 -2.2535 -2.2535 -0.8755 -0.8755 3.5743 3.5743 4.0889 4.0889 7.9288 7.9288 8.3630 8.3630 8.6078 8.6078 15.5137 15.5137 15.6841 15.6841 16.1035 16.1035 16.6390 16.6390 16.9206 16.9206 17.6224 17.6224 18.7737 18.7737 20.1224 20.1224 k = 0.3731-0.4320 0.3637 ( 5284 PWs) bands (ev): -12.6600 -12.6600 -9.7716 -9.7716 -6.2289 -6.2289 -3.1276 -3.1276 -2.2583 -2.2583 -0.9344 -0.9344 3.5521 3.5521 4.0515 4.0515 7.9833 7.9833 8.4228 8.4228 8.6535 8.6535 15.5140 15.5140 15.7068 15.7068 16.1003 16.1003 16.6323 16.6323 16.8812 16.8812 17.6577 17.6577 18.6906 18.6906 20.1018 20.1018 k = 0.3801-0.4402 0.3706 ( 5298 PWs) bands (ev): -12.6528 -12.6528 -9.7905 -9.7905 -6.1858 -6.1858 -3.1312 -3.1312 -2.2625 -2.2625 -0.9931 -0.9931 3.5301 3.5301 4.0163 4.0163 8.0356 8.0356 8.4826 8.4826 8.6985 8.6985 15.5104 15.5104 15.7236 15.7236 16.1056 16.1056 16.6195 16.6195 16.8392 16.8392 17.6979 17.6979 18.6078 18.6078 20.0824 20.0824 k = 0.3872-0.4483 0.3775 ( 5292 PWs) bands (ev): -12.6460 -12.6460 -9.8092 -9.8092 -6.1421 -6.1421 -3.1345 -3.1345 -2.2660 -2.2660 -1.0514 -1.0514 3.5083 3.5083 3.9835 3.9835 8.0858 8.0858 8.5424 8.5424 8.7428 8.7428 15.5025 15.5025 15.7330 15.7330 16.1203 16.1203 16.6008 16.6008 16.7957 16.7957 17.7410 17.7410 18.5258 18.5258 20.0652 20.0652 k = 0.3942-0.4565 0.3843 ( 5298 PWs) bands (ev): -12.6395 -12.6395 -9.8277 -9.8277 -6.0977 -6.0977 -3.1373 -3.1373 -2.2690 -2.2690 -1.1095 -1.1095 3.4869 3.4869 3.9531 3.9531 8.1337 8.1337 8.6022 8.6022 8.7862 8.7862 15.4901 15.4901 15.7345 15.7345 16.1441 16.1441 16.5763 16.5763 16.7517 16.7517 17.7854 17.7854 18.4451 18.4451 20.0508 20.0508 k = 0.4013-0.4646 0.3912 ( 5298 PWs) bands (ev): -12.6335 -12.6335 -9.8461 -9.8461 -6.0528 -6.0528 -3.1398 -3.1398 -2.2713 -2.2713 -1.1672 -1.1672 3.4659 3.4659 3.9251 3.9251 8.1793 8.1793 8.6619 8.6619 8.8286 8.8286 15.4734 15.4734 15.7285 15.7285 16.1758 16.1758 16.5468 16.5468 16.7075 16.7075 17.8297 17.8297 18.3663 18.3663 20.0400 20.0400 k = 0.4083-0.4728 0.3981 ( 5295 PWs) bands (ev): -12.6277 -12.6277 -9.8643 -9.8643 -6.0072 -6.0072 -3.1419 -3.1419 -2.2730 -2.2730 -1.2246 -1.2246 3.4456 3.4456 3.8995 3.8995 8.2228 8.2228 8.7215 8.7215 8.8697 8.8697 15.4525 15.4525 15.7160 15.7160 16.2127 16.2127 16.5135 16.5135 16.6630 16.6630 17.8725 17.8725 18.2899 18.2899 20.0336 20.0336 k = 0.4153-0.4809 0.4049 ( 5305 PWs) bands (ev): -12.6224 -12.6224 -9.8825 -9.8825 -5.9611 -5.9611 -3.1437 -3.1437 -2.2741 -2.2741 -1.2815 -1.2815 3.4261 3.4261 3.8764 3.8764 8.2640 8.2640 8.7809 8.7809 8.9095 8.9095 15.4276 15.4276 15.6978 15.6978 16.2512 16.2512 16.4791 16.4791 16.6181 16.6181 17.9126 17.9126 18.2168 18.2168 20.0321 20.0321 k = 0.4224-0.4891 0.4118 ( 5311 PWs) bands (ev): -12.6174 -12.6174 -9.9005 -9.9005 -5.9143 -5.9143 -3.1453 -3.1453 -2.2746 -2.2746 -1.3380 -1.3380 3.4075 3.4075 3.8555 3.8555 8.3032 8.3032 8.8402 8.8402 8.9478 8.9478 15.3989 15.3989 15.6745 15.6745 16.2845 16.2845 16.4492 16.4492 16.5725 16.5725 17.9485 17.9485 18.1481 18.1481 20.0365 20.0365 k = 0.4294-0.4972 0.4186 ( 5308 PWs) bands (ev): -12.6127 -12.6127 -9.9185 -9.9185 -5.8668 -5.8668 -3.1466 -3.1466 -2.2745 -2.2745 -1.3941 -1.3941 3.3900 3.3900 3.8368 3.8368 8.3402 8.3402 8.8991 8.8991 8.9845 8.9845 15.3668 15.3668 15.6465 15.6465 16.2974 16.2974 16.4373 16.4373 16.5269 16.5269 17.9772 17.9772 18.0867 18.0867 20.0474 20.0474 k = 0.4365-0.5054 0.4255 ( 5311 PWs) bands (ev): -12.6084 -12.6084 -9.9364 -9.9364 -5.8188 -5.8188 -3.1477 -3.1477 -2.2739 -2.2739 -1.4496 -1.4496 3.3738 3.3738 3.8203 3.8203 8.3751 8.3751 8.9575 8.9575 9.0198 9.0198 15.3314 15.3314 15.6142 15.6142 16.2779 16.2779 16.4452 16.4452 16.4903 16.4903 17.9849 17.9849 18.0467 18.0467 20.0651 20.0651 k = 0.4365-0.5054 0.4255 ( 5311 PWs) bands (ev): -12.6084 -12.6084 -9.9364 -9.9364 -5.8188 -5.8188 -3.1477 -3.1477 -2.2739 -2.2739 -1.4496 -1.4496 3.3738 3.3738 3.8203 3.8203 8.3751 8.3751 8.9575 8.9575 9.0198 9.0198 15.3314 15.3314 15.6142 15.6142 16.2779 16.2779 16.4452 16.4452 16.4903 16.4903 17.9849 17.9849 18.0467 18.0467 20.0651 20.0651 k = 0.4422-0.4987 0.4334 ( 5311 PWs) bands (ev): -12.5942 -12.5942 -9.9961 -9.9961 -5.6501 -5.6501 -3.1523 -3.1523 -2.2708 -2.2708 -1.6403 -1.6403 3.3224 3.3224 3.7688 3.7688 8.4902 8.4902 9.1374 9.1374 9.1567 9.1567 15.2040 15.2040 15.4933 15.4933 16.1394 16.1394 16.4468 16.4468 16.4604 16.4604 17.9320 17.9320 17.9900 17.9900 20.1410 20.1410 k = 0.4480-0.4920 0.4414 ( 5317 PWs) bands (ev): -12.5804 -12.5804 -10.0511 -10.0511 -5.4797 -5.4797 -3.1594 -3.1594 -2.2678 -2.2678 -1.8282 -1.8282 3.2756 3.2756 3.7219 3.7219 8.5994 8.5994 9.2493 9.2493 9.3499 9.3499 15.0803 15.0803 15.3726 15.3726 15.9773 15.9773 16.4560 16.4560 16.4600 16.4600 17.8812 17.8812 17.9359 17.9359 20.2193 20.2193 k = 0.4538-0.4853 0.4493 ( 5323 PWs) bands (ev): -12.5674 -12.5674 -10.1012 -10.1012 -5.3082 -5.3082 -3.1704 -3.1704 -2.2650 -2.2650 -2.0113 -2.0113 3.2335 3.2335 3.6796 3.6796 8.7017 8.7017 9.3544 9.3544 9.5350 9.5350 14.9629 14.9629 15.2561 15.2561 15.8121 15.8121 16.4697 16.4697 16.4698 16.4698 17.8330 17.8330 17.8848 17.8848 20.2982 20.2982 k = 0.4596-0.4786 0.4573 ( 5329 PWs) bands (ev): -12.5552 -12.5552 -10.1460 -10.1460 -5.1357 -5.1357 -3.1872 -3.1872 -2.2623 -2.2623 -2.1870 -2.1870 3.1962 3.1962 3.6422 3.6422 8.7958 8.7958 9.4515 9.4515 9.7098 9.7098 14.8541 14.8541 15.1468 15.1468 15.6515 15.6515 16.4836 16.4836 16.4857 16.4857 17.7881 17.7881 17.8374 17.8374 20.3766 20.3766 k = 0.4653-0.4719 0.4652 ( 5323 PWs) bands (ev): -12.5442 -12.5442 -10.1855 -10.1855 -4.9629 -4.9629 -3.2132 -3.2132 -2.3514 -2.3514 -2.2599 -2.2599 3.1638 3.1638 3.6095 3.6095 8.8808 8.8808 9.5395 9.5395 9.8714 9.8714 14.7556 14.7556 15.0471 15.0471 15.5002 15.5002 16.4990 16.4990 16.5024 16.5024 17.7472 17.7472 17.7944 17.7944 20.4525 20.4525 k = 0.4711-0.4653 0.4732 ( 5314 PWs) bands (ev): -12.5344 -12.5344 -10.2193 -10.2193 -4.7907 -4.7907 -3.2532 -3.2532 -2.4987 -2.4987 -2.2578 -2.2578 3.1362 3.1362 3.5818 3.5818 8.9554 8.9554 9.6169 9.6169 10.0168 10.0168 14.6691 14.6691 14.9590 14.9590 15.3624 15.3624 16.5143 16.5143 16.5188 16.5188 17.7109 17.7109 17.7563 17.7563 20.5238 20.5238 k = 0.4769-0.4586 0.4811 ( 5302 PWs) bands (ev): -12.5261 -12.5261 -10.2472 -10.2472 -4.6206 -4.6206 -3.3131 -3.3131 -2.6213 -2.6213 -2.2561 -2.2561 3.1136 3.1136 3.5591 3.5591 9.0183 9.0183 9.6825 9.6825 10.1427 10.1427 14.5961 14.5961 14.8841 14.8841 15.2420 15.2420 16.5285 16.5285 16.5338 16.5338 17.6799 17.6799 17.7238 17.7238 20.5887 20.5887 k = 0.4827-0.4519 0.4891 ( 5266 PWs) bands (ev): -12.5194 -12.5194 -10.2692 -10.2692 -4.4555 -4.4555 -3.3961 -3.3961 -2.7130 -2.7130 -2.2547 -2.2547 3.0960 3.0960 3.5413 3.5413 9.0686 9.0686 9.7350 9.7350 10.2455 10.2455 14.5379 14.5379 14.8242 14.8242 15.1429 15.1429 16.5406 16.5406 16.5464 16.5464 17.6550 17.6550 17.6977 17.6977 20.6441 20.6441 k = 0.4884-0.4452 0.4970 ( 5266 PWs) bands (ev): -12.5146 -12.5146 -10.2850 -10.2850 -4.3016 -4.3016 -3.4968 -3.4968 -2.7731 -2.7731 -2.2536 -2.2536 3.0834 3.0834 3.5286 3.5286 9.1053 9.1053 9.7734 9.7734 10.3220 10.3220 14.4956 14.4956 14.7803 14.7803 15.0690 15.0690 16.5498 16.5498 16.5561 16.5561 17.6366 17.6366 17.6786 17.6786 20.6866 20.6866 k = 0.4942-0.4385 0.5049 ( 5278 PWs) bands (ev): -12.5116 -12.5116 -10.2945 -10.2945 -4.1759 -4.1759 -3.5941 -3.5941 -2.8059 -2.8059 -2.2530 -2.2530 3.0758 3.0758 3.5210 3.5210 9.1276 9.1276 9.7967 9.7967 10.3691 10.3691 14.4699 14.4699 14.7536 14.7536 15.0232 15.0232 16.5556 16.5556 16.5621 16.5621 17.6253 17.6253 17.6668 17.6668 20.7136 20.7136 k = 0.5000-0.4318 0.5129 ( 5272 PWs) bands (ev): -12.5106 -12.5106 -10.2977 -10.2977 -4.1210 -4.1210 -3.6401 -3.6401 -2.8161 -2.8161 -2.2528 -2.2528 3.0733 3.0733 3.5184 3.5184 9.1351 9.1351 9.8046 9.8046 10.3851 10.3851 14.4613 14.4613 14.7446 14.7446 15.0077 15.0077 16.5576 16.5576 16.5642 16.5642 17.6216 17.6216 17.6629 17.6629 20.7230 20.7230 k = 0.5000-0.4318 0.5129 ( 5272 PWs) bands (ev): -12.5106 -12.5106 -10.2977 -10.2977 -4.1210 -4.1210 -3.6401 -3.6401 -2.8161 -2.8161 -2.2528 -2.2528 3.0733 3.0733 3.5184 3.5184 9.1351 9.1351 9.8046 9.8046 10.3851 10.3851 14.4613 14.4613 14.7446 14.7446 15.0077 15.0077 16.5576 16.5576 16.5642 16.5642 17.6216 17.6216 17.6629 17.6629 20.7230 20.7230 k = 0.4981-0.4191 0.5129 ( 5276 PWs) bands (ev): -12.5111 -12.5111 -10.2969 -10.2969 -4.1370 -4.1370 -3.6261 -3.6261 -2.8132 -2.8132 -2.2527 -2.2527 3.0746 3.0746 3.5197 3.5197 9.1324 9.1324 9.8018 9.8018 10.3807 10.3807 14.4623 14.4623 14.7455 14.7455 15.0125 15.0125 16.5508 16.5508 16.5619 16.5619 17.6252 17.6252 17.6666 17.6666 20.7233 20.7233 k = 0.4963-0.4064 0.5129 ( 5286 PWs) bands (ev): -12.5123 -12.5123 -10.2947 -10.2947 -4.1803 -4.1803 -3.5892 -3.5892 -2.8040 -2.8040 -2.2523 -2.2523 3.0785 3.0785 3.5235 3.5235 9.1244 9.1244 9.7935 9.7935 10.3676 10.3676 14.4653 14.4653 14.7483 14.7483 15.0267 15.0267 16.5255 16.5255 16.5608 16.5608 17.6356 17.6356 17.6776 17.6776 20.7245 20.7245 k = 0.4944-0.3937 0.5129 ( 5293 PWs) bands (ev): -12.5143 -12.5143 -10.2909 -10.2909 -4.2415 -4.2415 -3.5391 -3.5391 -2.7884 -2.7884 -2.2517 -2.2517 3.0849 3.0849 3.5299 3.5299 9.1111 9.1111 9.7797 9.7797 10.3460 10.3460 14.4703 14.4703 14.7534 14.7534 15.0498 15.0498 16.4839 16.4839 16.5603 16.5603 17.6519 17.6519 17.6953 17.6953 20.7266 20.7266 k = 0.4925-0.3810 0.5129 ( 5297 PWs) bands (ev): -12.5171 -12.5171 -10.2857 -10.2857 -4.3133 -4.3133 -3.4838 -3.4838 -2.7654 -2.7654 -2.2509 -2.2509 3.0939 3.0939 3.5388 3.5388 9.0925 9.0925 9.7604 9.7604 10.3161 10.3161 14.4770 14.4770 14.7610 14.7610 15.0814 15.0814 16.4290 16.4290 16.5599 16.5599 17.6729 17.6729 17.7185 17.7185 20.7302 20.7303 k = 0.4907-0.3683 0.5129 ( 5300 PWs) bands (ev): -12.5206 -12.5206 -10.2790 -10.2790 -4.3914 -4.3914 -3.4285 -3.4285 -2.7344 -2.7344 -2.2497 -2.2497 3.1055 3.1055 3.5503 3.5503 9.0688 9.0688 9.7358 9.7358 10.2781 10.2781 14.4853 14.4853 14.7716 14.7716 15.1207 15.1207 16.3633 16.3633 16.5597 16.5597 17.6982 17.6982 17.7455 17.7455 20.7356 20.7356 k = 0.4888-0.3556 0.5129 ( 5298 PWs) bands (ev): -12.5249 -12.5249 -10.2709 -10.2709 -4.4733 -4.4733 -3.3766 -3.3766 -2.6947 -2.6947 -2.2482 -2.2482 3.1196 3.1196 3.5642 3.5642 9.0400 9.0400 9.7061 9.7061 10.2325 10.2325 14.4949 14.4949 14.7856 14.7856 15.1671 15.1671 16.2891 16.2891 16.5599 16.5599 17.7273 17.7273 17.7749 17.7749 20.7429 20.7429 k = 0.4869-0.3429 0.5129 ( 5295 PWs) bands (ev): -12.5299 -12.5299 -10.2614 -10.2614 -4.5574 -4.5574 -3.3300 -3.3300 -2.6457 -2.6457 -2.2464 -2.2464 3.1361 3.1361 3.5806 3.5806 9.0063 9.0063 9.6713 9.6713 10.1798 10.1798 14.5057 14.5057 14.8032 14.8032 15.2197 15.2197 16.2086 16.2086 16.5606 16.5606 17.7592 17.7592 17.8058 17.8058 20.7523 20.7523 k = 0.4851-0.3302 0.5129 ( 5293 PWs) bands (ev): -12.5356 -12.5356 -10.2505 -10.2505 -4.6428 -4.6428 -3.2897 -3.2897 -2.5877 -2.5877 -2.2441 -2.2441 3.1551 3.1551 3.5994 3.5994 8.9679 8.9679 9.6316 9.6316 10.1203 10.1203 14.5175 14.5175 14.8244 14.8244 15.2777 15.2777 16.1237 16.1237 16.5621 16.5621 17.7920 17.7920 17.8388 17.8388 20.7641 20.7641 k = 0.4832-0.3175 0.5129 ( 5301 PWs) bands (ev): -12.5419 -12.5419 -10.2382 -10.2382 -4.7290 -4.7290 -3.2556 -3.2556 -2.5212 -2.5212 -2.2413 -2.2413 3.1765 3.1765 3.6207 3.6207 8.9248 8.9248 9.5873 9.5873 10.0547 10.0547 14.5300 14.5300 14.8494 14.8494 15.3399 15.3399 16.0366 16.0366 16.5645 16.5645 17.8230 17.8230 17.8758 17.8758 20.7779 20.7779 k = 0.4813-0.3048 0.5129 ( 5303 PWs) bands (ev): -12.5488 -12.5488 -10.2245 -10.2245 -4.8155 -4.8155 -3.2274 -3.2274 -2.4474 -2.4474 -2.2377 -2.2377 3.2003 3.2003 3.6443 3.6443 8.8774 8.8774 9.5385 9.5385 9.9833 9.9833 14.5432 14.5432 14.8780 14.8780 15.4044 15.4044 15.9498 15.9498 16.5680 16.5680 17.8496 17.8496 17.9186 17.9186 20.7936 20.7936 k = 0.4794-0.2921 0.5129 ( 5298 PWs) bands (ev): -12.5562 -12.5562 -10.2096 -10.2096 -4.9021 -4.9021 -3.2043 -3.2043 -2.3681 -2.3681 -2.2326 -2.2326 3.2263 3.2263 3.6703 3.6703 8.8257 8.8257 9.4855 9.4855 9.9066 9.9066 14.5570 14.5570 14.9101 14.9101 15.4670 15.4670 15.8681 15.8681 16.5727 16.5727 17.8713 17.8713 17.9671 17.9671 20.8111 20.8111 k = 0.4776-0.2794 0.5129 ( 5302 PWs) bands (ev): -12.5641 -12.5641 -10.1934 -10.1934 -4.9886 -4.9886 -3.1853 -3.1853 -2.2889 -2.2889 -2.2217 -2.2217 3.2547 3.2547 3.6985 3.6985 8.7699 8.7699 9.4284 9.4284 9.8253 9.8253 14.5713 14.5713 14.9454 14.9454 15.5162 15.5162 15.8036 15.8036 16.5789 16.5789 17.8888 17.8888 18.0205 18.0205 20.8295 20.8295 k = 0.4757-0.2667 0.5129 ( 5302 PWs) bands (ev): -12.5724 -12.5724 -10.1759 -10.1759 -5.0749 -5.0749 -3.1698 -3.1698 -2.2424 -2.2424 -2.1732 -2.1732 3.2852 3.2852 3.7290 3.7290 8.7103 8.7103 9.3676 9.3676 9.7396 9.7396 14.5861 14.5861 14.9837 14.9837 15.5241 15.5241 15.7846 15.7846 16.5867 16.5867 17.9027 17.9027 18.0778 18.0778 20.8483 20.8483 k = 0.4738-0.2540 0.5129 ( 5296 PWs) bands (ev): -12.5812 -12.5812 -10.1573 -10.1573 -5.1607 -5.1607 -3.1571 -3.1571 -2.2309 -2.2309 -2.0858 -2.0858 3.3179 3.3179 3.7617 3.7617 8.6471 8.6471 9.3031 9.3031 9.6502 9.6502 14.6014 14.6014 15.0245 15.0245 15.4781 15.4781 15.8244 15.8244 16.5962 16.5962 17.9133 17.9133 18.1388 18.1388 20.8635 20.8639 k = 0.4720-0.2413 0.5129 ( 5294 PWs) bands (ev): -12.5902 -12.5902 -10.1374 -10.1374 -5.2461 -5.2461 -3.1467 -3.1467 -2.2241 -2.2241 -1.9904 -1.9904 3.3527 3.3527 3.7965 3.7965 8.5805 8.5805 9.2352 9.2352 9.5573 9.5573 14.6170 14.6170 15.0670 15.0670 15.4060 15.4060 15.8958 15.8958 16.6075 16.6075 17.9212 17.9212 18.2028 18.2028 20.8226 20.8226 k = 0.4701-0.2286 0.5129 ( 5292 PWs) bands (ev): -12.5995 -12.5995 -10.1164 -10.1164 -5.3310 -5.3310 -3.1381 -3.1381 -2.2179 -2.2179 -1.8916 -1.8916 3.3896 3.3896 3.8334 3.8334 8.5106 8.5106 9.1642 9.1642 9.4616 9.4616 14.6328 14.6328 15.1095 15.1095 15.3285 15.3285 15.9804 15.9804 16.6206 16.6206 17.9266 17.9266 18.2697 18.2697 20.7707 20.7707 k = 0.4682-0.2159 0.5129 ( 5282 PWs) bands (ev): -12.6091 -12.6091 -10.0944 -10.0944 -5.4153 -5.4153 -3.1310 -3.1310 -2.2117 -2.2117 -1.7905 -1.7905 3.4284 3.4284 3.8723 3.8723 8.4377 8.4377 9.0902 9.0902 9.3632 9.3632 14.6482 14.6482 15.1435 15.1435 15.2609 15.2609 16.0716 16.0716 16.6358 16.6358 17.9298 17.9298 18.3390 18.3390 20.7163 20.7163 k = 0.4664-0.2032 0.5129 ( 5274 PWs) bands (ev): -12.6189 -12.6189 -10.0712 -10.0712 -5.4989 -5.4989 -3.1253 -3.1253 -2.2053 -2.2053 -1.6878 -1.6878 3.4691 3.4691 3.9132 3.9132 8.3619 8.3619 9.0134 9.0134 9.2628 9.2628 14.6625 14.6625 15.1285 15.1285 15.2468 15.2468 16.1670 16.1670 16.6530 16.6530 17.9312 17.9312 18.4106 18.4106 20.6595 20.6595 k = 0.4645-0.1905 0.5129 ( 5272 PWs) bands (ev): -12.6287 -12.6287 -10.0470 -10.0470 -5.5819 -5.5819 -3.1208 -3.1208 -2.1986 -2.1986 -1.5838 -1.5838 3.5117 3.5117 3.9560 3.9560 8.2836 8.2836 8.9339 8.9339 9.1605 9.1605 14.6740 14.6740 15.0692 15.0692 15.2846 15.2846 16.2652 16.2652 16.6723 16.6723 17.9311 17.9311 18.4842 18.4842 20.6007 20.6007 k = 0.4626-0.1778 0.5129 ( 5268 PWs) bands (ev): -12.6387 -12.6387 -10.0217 -10.0217 -5.6643 -5.6643 -3.1171 -3.1171 -2.1917 -2.1917 -1.4789 -1.4789 3.5561 3.5561 4.0006 4.0006 8.2028 8.2028 8.8518 8.8518 9.0569 9.0569 14.6796 14.6796 15.0097 15.0097 15.3338 15.3338 16.3655 16.3655 16.6938 16.6938 17.9298 17.9298 18.5596 18.5596 20.5401 20.5401 k = 0.4608-0.1651 0.5129 ( 5267 PWs) bands (ev): -12.6486 -12.6486 -9.9955 -9.9955 -5.7459 -5.7459 -3.1144 -3.1144 -2.1846 -2.1846 -1.3732 -1.3732 3.6022 3.6022 4.0469 4.0469 8.1198 8.1198 8.7673 8.7673 8.9524 8.9524 14.6745 14.6745 14.9635 14.9635 15.3863 15.3863 16.4673 16.4673 16.7176 16.7176 17.9277 17.9277 18.6363 18.6363 20.4778 20.4778 k = 0.4589-0.1524 0.5129 ( 5265 PWs) bands (ev): -12.6586 -12.6586 -9.9682 -9.9682 -5.8268 -5.8268 -3.1124 -3.1124 -2.1774 -2.1774 -1.2670 -1.2670 3.6501 3.6501 4.0950 4.0950 8.0348 8.0348 8.6802 8.6802 8.8474 8.8474 14.6536 14.6536 14.9376 14.9376 15.4405 15.4405 16.5700 16.5700 16.7436 16.7436 17.9250 17.9250 18.7142 18.7142 20.4141 20.4141 k = 0.4570-0.1397 0.5129 ( 5263 PWs) bands (ev): -12.6684 -12.6684 -9.9400 -9.9400 -5.9070 -5.9070 -3.1110 -3.1110 -2.1701 -2.1701 -1.1605 -1.1605 3.6995 3.6995 4.1447 4.1447 7.9480 7.9480 8.5908 8.5908 8.7422 8.7422 14.6170 14.6170 14.9327 14.9327 15.4956 15.4956 16.6730 16.6730 16.7721 16.7721 17.9221 17.9221 18.7929 18.7929 20.3493 20.3493 k = 0.4552-0.1270 0.5129 ( 5257 PWs) bands (ev): -12.6782 -12.6782 -9.9109 -9.9109 -5.9864 -5.9864 -3.1102 -3.1102 -2.1628 -2.1628 -1.0538 -1.0538 3.7505 3.7505 4.1959 4.1959 7.8595 7.8595 8.4987 8.4987 8.6375 8.6375 14.5706 14.5706 14.9439 14.9439 15.5511 15.5511 16.7747 16.7747 16.8043 16.8043 17.9195 17.9195 18.8721 18.8721 20.2836 20.2836 k = 0.4533-0.1143 0.5129 ( 5258 PWs) bands (ev): -12.6878 -12.6878 -9.8808 -9.8808 -6.0651 -6.0651 -3.1099 -3.1099 -2.1555 -2.1555 -0.9471 -0.9471 3.8031 3.8031 4.2486 4.2486 7.7695 7.7695 8.4041 8.4041 8.5337 8.5337 14.5202 14.5202 14.9655 14.9655 15.6069 15.6069 16.8338 16.8338 16.8806 16.8806 17.9176 17.9176 18.9513 18.9513 20.2172 20.2173 k = 0.4514-0.1016 0.5129 ( 5256 PWs) bands (ev): -12.6973 -12.6973 -9.8499 -9.8499 -6.1431 -6.1431 -3.1100 -3.1100 -2.1485 -2.1485 -0.8406 -0.8406 3.8571 3.8571 4.3027 4.3027 7.6783 7.6783 8.3070 8.3070 8.4311 8.4311 14.4698 14.4698 14.9942 14.9942 15.6625 15.6625 16.8699 16.8699 16.9811 16.9811 17.9169 17.9169 19.0301 19.0301 20.1507 20.1507 k = 0.4495-0.0889 0.5129 ( 5260 PWs) bands (ev): -12.7065 -12.7065 -9.8180 -9.8180 -6.2203 -6.2203 -3.1105 -3.1105 -2.1417 -2.1417 -0.7345 -0.7345 3.9126 3.9126 4.3581 4.3581 7.5861 7.5861 8.2074 8.2074 8.3300 8.3300 14.4215 14.4215 15.0279 15.0279 15.7178 15.7178 16.9079 16.9079 17.0799 17.0799 17.9184 17.9184 19.1079 19.1079 20.0843 20.0843 k = 0.4477-0.0762 0.5129 ( 5262 PWs) bands (ev): -12.7155 -12.7155 -9.7853 -9.7853 -6.2968 -6.2968 -3.1113 -3.1113 -2.1352 -2.1352 -0.6288 -0.6288 3.9694 3.9694 4.4147 4.4147 7.4930 7.4930 8.1058 8.1058 8.2303 8.2303 14.3766 14.3766 15.0657 15.0657 15.7725 15.7725 16.9481 16.9481 17.1753 17.1753 17.9231 17.9231 19.1839 19.1839 20.0188 20.0188 k = 0.4458-0.0635 0.5129 ( 5262 PWs) bands (ev): -12.7241 -12.7241 -9.7516 -9.7516 -6.3725 -6.3725 -3.1123 -3.1123 -2.1292 -2.1292 -0.5238 -0.5238 4.0275 4.0275 4.4725 4.4725 7.3992 7.3992 8.0025 8.0025 8.1320 8.1320 14.3359 14.3359 15.1071 15.1071 15.8263 15.8263 16.9908 16.9908 17.2656 17.2656 17.9325 17.9325 19.2570 19.2570 19.9550 19.9550 k = 0.4439-0.0508 0.5129 ( 5260 PWs) bands (ev): -12.7325 -12.7325 -9.7172 -9.7172 -6.4475 -6.4475 -3.1135 -3.1135 -2.1237 -2.1237 -0.4196 -0.4196 4.0869 4.0869 4.5313 4.5313 7.3049 7.3049 7.8983 7.8983 8.0348 8.0348 14.3000 14.3000 15.1518 15.1518 15.8790 15.8790 17.0358 17.0358 17.3486 17.3486 17.9486 17.9486 19.3254 19.3254 19.8945 19.8945 k = 0.4421-0.0381 0.5129 ( 5260 PWs) bands (ev): -12.7405 -12.7405 -9.6818 -9.6818 -6.5218 -6.5218 -3.1149 -3.1149 -2.1188 -2.1188 -0.3165 -0.3165 4.1476 4.1476 4.5911 4.5911 7.2103 7.2103 7.7937 7.7937 7.9385 7.9385 14.2691 14.2691 15.1997 15.1997 15.9304 15.9304 17.0832 17.0832 17.4217 17.4217 17.9738 17.9738 19.3861 19.3861 19.8403 19.8403 k = 0.4402-0.0254 0.5129 ( 5264 PWs) bands (ev): -12.7481 -12.7481 -9.6456 -9.6456 -6.5953 -6.5953 -3.1163 -3.1163 -2.1146 -2.1146 -0.2145 -0.2145 4.2094 4.2094 4.6517 4.6517 7.1156 7.1156 7.6890 7.6890 7.8430 7.8430 14.2434 14.2434 15.2505 15.2505 15.9802 15.9802 17.1329 17.1329 17.4824 17.4824 18.0105 18.0105 19.4329 19.4329 19.7979 19.7979 k = 0.4383-0.0127 0.5129 ( 5263 PWs) bands (ev): -12.7554 -12.7554 -9.6086 -9.6086 -6.6681 -6.6681 -3.1179 -3.1179 -2.1112 -2.1112 -0.1140 -0.1140 4.2724 4.2724 4.7130 4.7130 7.0211 7.0211 7.5850 7.5850 7.7482 7.7482 14.2232 14.2232 15.3044 15.3044 16.0284 16.0284 17.1849 17.1849 17.5291 17.5291 18.0599 18.0599 19.4565 19.4565 19.7766 19.7766 k = 0.4365 0.0000 0.5129 ( 5268 PWs) bands (ev): -12.7623 -12.7623 -9.5708 -9.5708 -6.7401 -6.7401 -3.1194 -3.1194 -2.1086 -2.1086 -0.0150 -0.0150 4.3364 4.3364 4.7748 4.7748 6.9268 6.9268 7.4818 7.4818 7.6541 7.6541 14.2086 14.2086 15.3611 15.3611 16.0746 16.0746 17.2390 17.2390 17.5625 17.5625 18.1211 18.1211 19.4496 19.4496 19.7830 19.7830 k = 0.4346 0.0127 0.5129 ( 5261 PWs) bands (ev): -12.7687 -12.7687 -9.5321 -9.5321 -6.8114 -6.8114 -3.1210 -3.1210 -2.1068 -2.1068 0.0821 0.0821 4.4014 4.4014 4.8370 4.8370 6.8331 6.8331 7.3799 7.3799 7.5607 7.5607 14.1995 14.1995 15.4208 15.4208 16.1188 16.1188 17.2951 17.2951 17.5847 17.5847 18.1918 18.1918 19.4172 19.4172 19.8116 19.8116 k = 0.4327 0.0254 0.5129 ( 5261 PWs) bands (ev): -12.7747 -12.7747 -9.4926 -9.4926 -6.8820 -6.8820 -3.1225 -3.1225 -2.1060 -2.1060 0.1772 0.1772 4.4674 4.4674 4.8995 4.8995 6.7402 6.7402 7.2797 7.2797 7.4682 7.4682 14.1960 14.1960 15.4833 15.4833 16.1608 16.1608 17.3531 17.3531 17.5983 17.5983 18.2688 18.2688 19.3703 19.3703 19.8501 19.8501 k = 0.4309 0.0381 0.5129 ( 5263 PWs) bands (ev): -12.7802 -12.7802 -9.4524 -9.4524 -6.9518 -6.9518 -3.1239 -3.1239 -2.1060 -2.1060 0.2699 0.2699 4.5342 4.5342 4.9619 4.9619 6.6484 6.6484 7.1815 7.1815 7.3766 7.3766 14.1981 14.1981 15.5487 15.5487 16.2004 16.2004 17.4126 17.4126 17.6059 17.6059 18.3494 18.3494 19.3164 19.3164 19.8877 19.8877 k = 0.4290 0.0508 0.5129 ( 5267 PWs) bands (ev): -12.7853 -12.7853 -9.4113 -9.4113 -7.0208 -7.0208 -3.1253 -3.1253 -2.1071 -2.1071 0.3600 0.3600 4.6017 4.6017 5.0239 5.0239 6.5578 6.5578 7.0856 7.0856 7.2862 7.2862 14.2057 14.2057 15.6169 15.6169 16.2376 16.2376 17.4733 17.4733 17.6094 17.6094 18.4311 18.4311 19.2595 19.2595 19.9139 19.9139 k = 0.4271 0.0635 0.5129 ( 5272 PWs) bands (ev): -12.7899 -12.7899 -9.3695 -9.3695 -7.0891 -7.0891 -3.1265 -3.1265 -2.1090 -2.1090 0.4473 0.4473 4.6697 4.6697 5.0853 5.0853 6.4688 6.4688 6.9924 6.9924 7.1972 7.1972 14.2188 14.2188 15.6877 15.6877 16.2724 16.2724 17.5338 17.5338 17.6113 17.6113 18.5121 18.5121 19.2016 19.2016 19.9192 19.9192 k = 0.4253 0.0762 0.5129 ( 5274 PWs) bands (ev): -12.7941 -12.7941 -9.3269 -9.3269 -7.1565 -7.1565 -3.1277 -3.1277 -2.1120 -2.1120 0.5313 0.5313 4.7381 4.7381 5.1457 5.1457 6.3818 6.3818 6.9024 6.9024 7.1100 7.1100 14.2373 14.2373 15.7610 15.7610 16.3046 16.3046 17.5848 17.5848 17.6214 17.6214 18.5906 18.5906 19.1441 19.1441 19.9074 19.9074 k = 0.4234 0.0889 0.5129 ( 5274 PWs) bands (ev): -12.7978 -12.7978 -9.2837 -9.2837 -7.2232 -7.2232 -3.1287 -3.1287 -2.1158 -2.1158 0.6118 0.6118 4.8067 4.8067 5.2044 5.2044 6.2971 6.2971 6.8159 6.8159 7.0249 7.0249 14.2609 14.2609 15.8367 15.8367 16.3345 16.3345 17.5955 17.5955 17.6710 17.6710 18.6649 18.6649 19.0879 19.0879 19.8896 19.8896 k = 0.4215 0.1016 0.5129 ( 5272 PWs) bands (ev): -12.8010 -12.8010 -9.2398 -9.2398 -7.2889 -7.2889 -3.1296 -3.1296 -2.1205 -2.1205 0.6885 0.6885 4.8749 4.8749 5.2608 5.2608 6.2151 6.2151 6.7334 6.7334 6.9427 6.9427 14.2897 14.2897 15.9143 15.9143 16.3623 16.3623 17.5927 17.5927 17.7333 17.7333 18.7330 18.7330 19.0342 19.0342 19.8722 19.8722 k = 0.4196 0.1143 0.5129 ( 5272 PWs) bands (ev): -12.8037 -12.8037 -9.1952 -9.1952 -7.3538 -7.3538 -3.1303 -3.1303 -2.1261 -2.1261 0.7609 0.7609 4.9423 4.9423 5.3141 5.3141 6.1366 6.1366 6.6554 6.6554 6.8639 6.8639 14.3233 14.3233 15.9932 15.9932 16.3883 16.3883 17.5876 17.5876 17.7971 17.7971 18.7914 18.7914 18.9855 18.9855 19.8583 19.8583 k = 0.4178 0.1270 0.5129 ( 5276 PWs) bands (ev): -12.8059 -12.8059 -9.1502 -9.1502 -7.4176 -7.4176 -3.1309 -3.1309 -2.1325 -2.1325 0.8287 0.8287 5.0080 5.0080 5.3636 5.3636 6.0621 6.0621 6.5824 6.5824 6.7897 6.7897 14.3617 14.3617 16.0724 16.0724 16.4133 16.4133 17.5816 17.5816 17.8607 17.8607 18.8304 18.8304 18.9505 18.9505 19.8495 19.8495 k = 0.4159 0.1397 0.5129 ( 5278 PWs) bands (ev): -12.8077 -12.8077 -9.1046 -9.1046 -7.4804 -7.4804 -3.1315 -3.1315 -2.1396 -2.1396 0.8915 0.8915 5.0703 5.0703 5.4083 5.4083 5.9926 5.9926 6.5149 6.5149 6.7214 6.7214 14.4046 14.4046 16.1499 16.1499 16.4393 16.4393 17.5751 17.5751 17.9237 17.9237 18.8284 18.8284 18.9498 18.9498 19.8465 19.8465 k = 0.4140 0.1524 0.5129 ( 5273 PWs) bands (ev): -12.8090 -12.8090 -9.0588 -9.0588 -7.5420 -7.5420 -3.1319 -3.1319 -2.1474 -2.1474 0.9489 0.9489 5.1268 5.1268 5.4484 5.4484 5.9287 5.9287 6.4533 6.4533 6.6609 6.6609 14.4518 14.4518 16.2221 16.2221 16.4696 16.4696 17.5683 17.5683 17.9853 17.9853 18.7948 18.7948 18.9735 18.9735 19.8496 19.8496 k = 0.4122 0.1651 0.5129 ( 5266 PWs) bands (ev): -12.8099 -12.8099 -9.0128 -9.0128 -7.6022 -7.6022 -3.1322 -3.1322 -2.1558 -2.1558 1.0006 1.0006 5.1734 5.1734 5.4852 5.4852 5.8711 5.8711 6.3978 6.3978 6.6104 6.6104 14.5031 14.5031 16.2829 16.2829 16.5100 16.5100 17.5615 17.5615 18.0450 18.0450 18.7533 18.7533 18.9974 18.9974 19.8583 19.8583 k = 0.4103 0.1778 0.5129 ( 5266 PWs) bands (ev): -12.8103 -12.8103 -8.9668 -8.9668 -7.6608 -7.6608 -3.1324 -3.1324 -2.1646 -2.1646 1.0461 1.0461 5.2043 5.2043 5.5228 5.5228 5.8192 5.8192 6.3485 6.3485 6.5727 6.5727 14.5581 14.5581 16.3262 16.3262 16.5662 16.5662 17.5548 17.5548 18.1023 18.1023 18.7111 18.7111 19.0144 19.0144 19.8712 19.8712 k = 0.4084 0.1905 0.5129 ( 5262 PWs) bands (ev): -12.8102 -12.8102 -8.9212 -8.9212 -7.7175 -7.7175 -3.1325 -3.1325 -2.1738 -2.1738 1.0852 1.0852 5.2145 5.2145 5.5660 5.5660 5.7713 5.7713 6.3052 6.3052 6.5500 6.5500 14.6167 14.6167 16.3517 16.3517 16.6383 16.6383 17.5483 17.5483 18.1565 18.1565 18.6703 18.6703 19.0232 19.0232 19.8862 19.8862 k = 0.4066 0.2032 0.5129 ( 5266 PWs) bands (ev): -12.8098 -12.8098 -8.8763 -8.8763 -7.7720 -7.7720 -3.1327 -3.1327 -2.1834 -2.1834 1.1176 1.1176 5.2033 5.2033 5.6176 5.6176 5.7246 5.7246 6.2680 6.2680 6.5435 6.5435 14.6786 14.6786 16.3639 16.3639 16.7215 16.7215 17.5422 17.5422 18.2066 18.2066 18.6316 18.6316 19.0240 19.0240 19.9005 19.9005 k = 0.4047 0.2159 0.5129 ( 5266 PWs) bands (ev): -12.8089 -12.8089 -8.8327 -8.8327 -7.8236 -7.8236 -3.1328 -3.1328 -2.1931 -2.1931 1.1428 1.1428 5.1743 5.1743 5.6711 5.6711 5.6821 5.6821 6.2371 6.2371 6.5530 6.5530 14.7435 14.7435 16.3669 16.3669 16.8110 16.8110 17.5367 17.5367 18.2520 18.2520 18.5954 18.5954 19.0173 19.0173 19.9111 19.9111 k = 0.4028 0.2286 0.5129 ( 5264 PWs) bands (ev): -12.8077 -12.8077 -8.7911 -8.7911 -7.8717 -7.8717 -3.1329 -3.1329 -2.2029 -2.2029 1.1609 1.1609 5.1327 5.1327 5.6237 5.6237 5.7428 5.7428 6.2133 6.2133 6.5765 6.5765 14.8111 14.8111 16.3635 16.3635 16.9037 16.9037 17.5319 17.5319 18.2914 18.2914 18.5622 18.5622 19.0040 19.0040 19.9156 19.9156 k = 0.4010 0.2413 0.5129 ( 5260 PWs) bands (ev): -12.8060 -12.8060 -8.7526 -8.7526 -7.9151 -7.9151 -3.1330 -3.1330 -2.2126 -2.2126 1.1716 1.1716 5.0830 5.0830 5.5682 5.5682 5.8115 5.8115 6.1973 6.1973 6.6117 6.6117 14.8811 14.8811 16.3549 16.3549 16.9974 16.9974 17.5281 17.5281 18.3231 18.3231 18.5328 18.5328 18.9848 18.9848 19.9133 19.9133 k = 0.3991 0.2540 0.5129 ( 5258 PWs) bands (ev): -12.8040 -12.8040 -8.7186 -8.7186 -7.9524 -7.9524 -3.1332 -3.1332 -2.2222 -2.2222 1.1748 1.1748 5.0281 5.0281 5.5090 5.5090 5.8826 5.8826 6.1894 6.1894 6.6560 6.6560 14.9531 14.9531 16.3421 16.3421 17.0904 17.0904 17.5256 17.5256 18.3447 18.3447 18.5089 18.5089 18.9604 18.9604 19.9053 19.9053 k = 0.3972 0.2667 0.5129 ( 5262 PWs) bands (ev): -12.8017 -12.8017 -8.6908 -8.6908 -7.9820 -7.9820 -3.1334 -3.1334 -2.2316 -2.2316 1.1705 1.1705 4.9701 4.9701 5.4470 5.4470 5.9549 5.9549 6.1902 6.1902 6.7075 6.7075 15.0268 15.0268 16.3257 16.3257 17.1807 17.1807 17.5248 17.5248 18.3526 18.3526 18.4929 18.4929 18.9314 18.9314 19.8934 19.8934 k = 0.3954 0.2794 0.5129 ( 5262 PWs) bands (ev): -12.7990 -12.7990 -8.6712 -8.6712 -8.0018 -8.0018 -3.1337 -3.1337 -2.2407 -2.2407 1.1589 1.1589 4.9104 4.9104 5.3830 5.3830 6.0274 6.0274 6.2000 6.2000 6.7643 6.7643 15.1019 15.1019 16.3060 16.3060 17.2661 17.2661 17.5266 17.5266 18.3450 18.3450 18.4860 18.4860 18.8986 18.8986 19.8797 19.8797 k = 0.3935 0.2921 0.5129 ( 5258 PWs) bands (ev): -12.7961 -12.7961 -8.6616 -8.6616 -8.0099 -8.0099 -3.1341 -3.1341 -2.2493 -2.2493 1.1400 1.1400 4.8499 4.8499 5.3178 5.3178 6.0987 6.0987 6.2197 6.2197 6.8250 6.8250 15.1779 15.1779 16.2835 16.2835 17.3429 17.3429 17.5329 17.5329 18.3241 18.3241 18.4855 18.4855 18.8628 18.8628 19.8662 19.8662 k = 0.3916 0.3048 0.5129 ( 5263 PWs) bands (ev): -12.7929 -12.7929 -8.6631 -8.6631 -8.0054 -8.0054 -3.1346 -3.1346 -2.2574 -2.2574 1.1142 1.1142 4.7892 4.7892 5.2521 5.2521 6.1664 6.1664 6.2514 6.2514 6.8888 6.8888 15.2545 15.2545 16.2584 16.2584 17.4053 17.4053 17.5475 17.5475 18.2937 18.2937 18.4871 18.4871 18.8252 18.8252 19.8549 19.8549 k = 0.3897 0.3175 0.5129 ( 5267 PWs) bands (ev): -12.7894 -12.7894 -8.6756 -8.6756 -7.9883 -7.9883 -3.1351 -3.1351 -2.2649 -2.2649 1.0816 1.0816 4.7287 4.7287 5.1863 5.1863 6.2264 6.2264 6.2984 6.2984 6.9547 6.9547 15.3311 15.3311 16.2312 16.2312 17.4468 17.4468 17.5744 17.5744 18.2564 18.2564 18.4884 18.4884 18.7871 18.7871 19.8479 19.8480 k = 0.3879 0.3302 0.5129 ( 5266 PWs) bands (ev): -12.7856 -12.7856 -8.6977 -8.6977 -7.9599 -7.9599 -3.1358 -3.1358 -2.2717 -2.2717 1.0426 1.0426 4.6687 4.6687 5.1211 5.1211 6.2791 6.2791 6.3599 6.3599 7.0222 7.0222 15.4074 15.4074 16.2022 16.2022 17.4693 17.4693 17.6090 17.6090 18.2132 18.2132 18.4888 18.4888 18.7506 18.7506 19.8467 19.8467 k = 0.3860 0.3429 0.5129 ( 5268 PWs) bands (ev): -12.7817 -12.7817 -8.7277 -8.7277 -7.9220 -7.9220 -3.1366 -3.1366 -2.2778 -2.2778 0.9976 0.9976 4.6094 4.6094 5.0568 5.0568 6.3307 6.3307 6.4291 6.4291 7.0907 7.0907 15.4829 15.4829 16.1715 16.1715 17.4817 17.4817 17.6393 17.6393 18.1648 18.1648 18.4881 18.4881 18.7176 18.7176 19.8516 19.8516 k = 0.3841 0.3556 0.5129 ( 5274 PWs) bands (ev): -12.7776 -12.7776 -8.7637 -8.7637 -7.8765 -7.8765 -3.1374 -3.1374 -2.2831 -2.2831 0.9469 0.9469 4.5510 4.5510 4.9937 4.9937 6.3856 6.3856 6.5011 6.5011 7.1600 7.1600 15.5569 15.5569 16.1397 16.1397 17.4902 17.4902 17.6563 17.6563 18.1116 18.1116 18.4862 18.4862 18.6903 18.6903 19.8625 19.8625 k = 0.3823 0.3683 0.5129 ( 5276 PWs) bands (ev): -12.7733 -12.7733 -8.8041 -8.8041 -7.8248 -7.8248 -3.1382 -3.1382 -2.2876 -2.2876 0.8909 0.8909 4.4935 4.4935 4.9321 4.9321 6.4450 6.4450 6.5742 6.5742 7.2296 7.2296 15.6288 15.6288 16.1069 16.1069 17.4971 17.4971 17.6556 17.6556 18.0540 18.0540 18.4837 18.4837 18.6695 18.6695 19.8787 19.8787 k = 0.3804 0.3810 0.5129 ( 5280 PWs) bands (ev): -12.7689 -12.7689 -8.8477 -8.8477 -7.7684 -7.7684 -3.1391 -3.1391 -2.2913 -2.2913 0.8301 0.8301 4.4370 4.4370 4.8723 4.8723 6.5092 6.5092 6.6473 6.6473 7.2994 7.2994 15.6980 15.6980 16.0735 16.0735 17.5034 17.5034 17.6360 17.6360 17.9919 17.9919 18.4814 18.4814 18.6545 18.6545 19.8992 19.8992 k = 0.3785 0.3937 0.5129 ( 5288 PWs) bands (ev): -12.7643 -12.7643 -8.8934 -8.8934 -7.7080 -7.7080 -3.1399 -3.1399 -2.2942 -2.2942 0.7649 0.7649 4.3816 4.3816 4.8145 4.8145 6.5782 6.5782 6.7202 6.7202 7.3692 7.3692 15.7636 15.7636 16.0398 16.0398 17.5092 17.5092 17.5988 17.5988 17.9249 17.9249 18.4802 18.4802 18.6429 18.6429 19.9230 19.9230 k = 0.3767 0.4064 0.5129 ( 5290 PWs) bands (ev): -12.7597 -12.7597 -8.9408 -8.9408 -7.6444 -7.6444 -3.1407 -3.1407 -2.2962 -2.2962 0.6956 0.6956 4.3272 4.3272 4.7589 4.7589 6.6516 6.6516 6.7926 6.7926 7.4388 7.4388 15.8245 15.8245 16.0066 16.0066 17.5122 17.5122 17.5491 17.5491 17.8529 17.8529 18.4802 18.4802 18.6321 18.6321 19.9487 19.9487 k = 0.3748 0.4191 0.5129 ( 5284 PWs) bands (ev): -12.7550 -12.7550 -8.9891 -8.9891 -7.5780 -7.5780 -3.1414 -3.1414 -2.2974 -2.2974 0.6226 0.6226 4.2738 4.2738 4.7056 4.7056 6.7292 6.7292 6.8643 6.8643 7.5081 7.5081 15.8784 15.8784 15.9754 15.9754 17.4758 17.4758 17.5265 17.5265 17.7756 17.7756 18.4796 18.4796 18.6204 18.6204 19.9720 19.9720 k = 0.3729 0.4318 0.5129 ( 5281 PWs) bands (ev): -12.7502 -12.7502 -9.0381 -9.0381 -7.5093 -7.5093 -3.1419 -3.1419 -2.2977 -2.2977 0.5463 0.5463 4.2216 4.2216 4.6548 4.6548 6.8105 6.8105 6.9352 6.9352 7.5770 7.5770 15.9113 15.9113 15.9596 15.9596 17.4042 17.4042 17.5296 17.5296 17.6937 17.6937 18.4743 18.4743 18.6093 18.6093 19.9711 19.9711 k = 0.3729 0.4318 0.5129 ( 5281 PWs) bands (ev): -12.7502 -12.7502 -9.0381 -9.0381 -7.5093 -7.5093 -3.1419 -3.1419 -2.2977 -2.2977 0.5463 0.5463 4.2216 4.2216 4.6548 4.6548 6.8105 6.8105 6.9352 6.9352 7.5770 7.5770 15.9113 15.9113 15.9596 15.9596 17.4042 17.4042 17.5296 17.5296 17.6937 17.6937 18.4743 18.4743 18.6093 18.6093 19.9711 19.9711 k = 0.3667 0.4246 0.5043 ( 5278 PWs) bands (ev): -12.7594 -12.7594 -8.9380 -8.9380 -7.6483 -7.6483 -3.1408 -3.1408 -2.2975 -2.2975 0.6986 0.6986 4.3294 4.3294 4.7578 4.7578 6.6483 6.6483 6.7914 6.7914 7.4375 7.4375 15.8976 15.8976 15.9427 15.9427 17.5046 17.5046 17.5595 17.5595 17.8612 17.8612 18.4926 18.4926 18.6217 18.6217 19.9489 19.9489 k = 0.3605 0.4174 0.4958 ( 5284 PWs) bands (ev): -12.7674 -12.7674 -8.8416 -8.8416 -7.7769 -7.7769 -3.1393 -3.1393 -2.2965 -2.2965 0.8347 0.8347 4.4411 4.4411 4.8632 4.8632 6.5039 6.5039 6.6493 6.6493 7.3008 7.3008 15.8815 15.8815 15.9249 15.9249 17.4677 17.4677 17.6843 17.6843 18.0123 18.0123 18.5124 18.5124 18.6235 18.6235 19.9009 19.9009 k = 0.3543 0.4102 0.4872 ( 5281 PWs) bands (ev): -12.7742 -12.7742 -8.7551 -8.7551 -7.8889 -7.8889 -3.1372 -3.1372 -2.2949 -2.2949 0.9516 0.9516 4.5563 4.5563 4.9703 4.9703 6.3802 6.3802 6.5095 6.5095 7.1678 7.1678 15.8632 15.8632 15.9061 15.9061 17.4138 17.4138 17.7712 17.7712 18.1288 18.1288 18.5462 18.5462 18.6282 18.6282 19.8661 19.8661 k = 0.3481 0.4030 0.4787 ( 5269 PWs) bands (ev): -12.7797 -12.7797 -8.6898 -8.6898 -7.9731 -7.9731 -3.1344 -3.1344 -2.2924 -2.2924 1.0463 1.0463 4.6749 4.6749 5.0781 5.0781 6.2791 6.2791 6.3733 6.3733 7.0395 7.0395 15.8428 15.8428 15.8864 15.8864 17.3482 17.3482 17.8035 17.8035 18.1808 18.1808 18.6065 18.6065 18.6631 18.6631 19.8471 19.8471 k = 0.3419 0.3958 0.4701 ( 5275 PWs) bands (ev): -12.7839 -12.7839 -8.6632 -8.6632 -8.0120 -8.0120 -3.1311 -3.1311 -2.2892 -2.2892 1.1159 1.1159 4.7967 4.7967 5.1852 5.1852 6.1948 6.1948 6.2501 6.2501 6.9174 6.9174 15.8198 15.8198 15.8654 15.8654 17.2736 17.2736 17.7795 17.7795 18.1550 18.1550 18.6931 18.6931 18.7404 18.7404 19.8441 19.8441 k = 0.3356 0.3886 0.4616 ( 5275 PWs) bands (ev): -12.7868 -12.7868 -8.6875 -8.6875 -7.9933 -7.9933 -3.1271 -3.1271 -2.2851 -2.2851 1.1581 1.1581 4.9210 4.9210 5.2896 5.2896 6.0866 6.0866 6.1833 6.1833 6.8037 6.8037 15.7937 15.7937 15.8425 15.8425 17.1922 17.1922 17.7115 17.7115 18.0737 18.0737 18.7924 18.7924 18.8374 18.8374 19.8569 19.8569 k = 0.3294 0.3814 0.4530 ( 5275 PWs) bands (ev): -12.7885 -12.7885 -8.7542 -8.7542 -7.9254 -7.9254 -3.1225 -3.1225 -2.2801 -2.2801 1.1714 1.1714 5.0474 5.0474 5.3881 5.3881 5.9610 5.9610 6.1686 6.1686 6.7015 6.7015 15.7635 15.7635 15.8171 15.8171 17.1056 17.1056 17.6143 17.6143 17.9610 17.9610 18.8876 18.8876 18.9294 18.9294 19.8839 19.8839 k = 0.3232 0.3742 0.4445 ( 5275 PWs) bands (ev): -12.7889 -12.7889 -8.8455 -8.8455 -7.8264 -7.8264 -3.1171 -3.1171 -2.2743 -2.2743 1.1555 1.1555 5.1741 5.1741 5.4756 5.4756 5.8373 5.8373 6.1887 6.1887 6.6159 6.6159 15.7279 15.7279 15.7882 15.7882 17.0152 17.0152 17.4999 17.4999 17.8309 17.8309 18.9649 18.9649 19.0021 19.0021 19.8995 19.8995 k = 0.3170 0.3670 0.4359 ( 5269 PWs) bands (ev): -12.7880 -12.7880 -8.9484 -8.9484 -7.7090 -7.7090 -3.1111 -3.1111 -2.2676 -2.2676 1.1109 1.1109 5.2969 5.2969 5.5447 5.5447 5.7222 5.7222 6.2407 6.2407 6.5543 6.5543 15.6853 15.6853 15.7546 15.7546 16.9219 16.9219 17.3772 17.3772 17.6920 17.6920 19.0165 19.0165 19.0489 19.0489 19.8126 19.8126 k = 0.3108 0.3598 0.4274 ( 5263 PWs) bands (ev): -12.7860 -12.7860 -9.0562 -9.0562 -7.5801 -7.5801 -3.1044 -3.1044 -2.2601 -2.2601 1.0395 1.0395 5.3941 5.3941 5.5865 5.5865 5.6377 5.6377 6.3223 6.3223 6.5257 6.5257 15.6338 15.6338 15.7149 15.7149 16.8264 16.8264 17.2530 17.2530 17.5504 17.5504 19.0403 19.0403 19.0692 19.0692 19.6673 19.6673 k = 0.3046 0.3527 0.4189 ( 5267 PWs) bands (ev): -12.7828 -12.7828 -9.1651 -9.1651 -7.4432 -7.4432 -3.0971 -3.0971 -2.2516 -2.2516 0.9437 0.9437 5.3882 5.3882 5.5941 5.5941 5.6615 5.6615 6.4306 6.4306 6.5368 6.5368 15.5711 15.5711 15.6671 15.6671 16.7292 16.7292 17.1330 17.1330 17.4108 17.4108 19.0391 19.0391 19.0661 19.0661 19.5028 19.5028 k = 0.2983 0.3455 0.4103 ( 5267 PWs) bands (ev): -12.7786 -12.7786 -9.2732 -9.2732 -7.3003 -7.3003 -3.0891 -3.0891 -2.2423 -2.2423 0.8264 0.8264 5.2989 5.2989 5.5682 5.5682 5.7738 5.7738 6.5626 6.5626 6.5868 6.5868 15.4953 15.4953 15.6091 15.6091 16.6308 16.6308 17.0218 17.0218 17.2777 17.2777 19.0162 19.0162 19.0445 19.0445 19.3282 19.3282 k = 0.2921 0.3383 0.4018 ( 5276 PWs) bands (ev): -12.7734 -12.7734 -9.3794 -9.3794 -7.1524 -7.1524 -3.0805 -3.0805 -2.2322 -2.2322 0.6907 0.6907 5.1936 5.1936 5.5164 5.5164 5.9073 5.9073 6.6682 6.6682 6.7150 6.7150 15.4046 15.4046 15.5389 15.5389 16.5316 16.5316 16.9230 16.9230 17.1548 17.1548 18.9698 18.9698 19.0093 19.0093 19.1538 19.1538 k = 0.2859 0.3311 0.3932 ( 5288 PWs) bands (ev): -12.7674 -12.7674 -9.4829 -9.4829 -7.0003 -7.0003 -3.0713 -3.0713 -2.2212 -2.2212 0.5395 0.5395 5.0866 5.0866 5.4477 5.4477 6.0476 6.0476 6.7717 6.7717 6.8847 6.8847 15.2985 15.2985 15.4548 15.4548 16.4318 16.4318 16.8387 16.8387 17.0452 17.0452 18.8711 18.8711 18.9644 18.9644 19.0144 19.0144 k = 0.2797 0.3239 0.3847 ( 5288 PWs) bands (ev): -12.7605 -12.7605 -9.5831 -9.5831 -6.8443 -6.8443 -3.0617 -3.0617 -2.2094 -2.2094 0.3755 0.3755 4.9814 4.9814 5.3692 5.3692 6.1911 6.1911 6.8901 6.8901 7.0688 7.0688 15.1774 15.1774 15.3559 15.3559 16.3316 16.3316 16.7697 16.7697 16.9511 16.9511 18.6997 18.6997 18.9130 18.9130 18.9354 18.9354 k = 0.2735 0.3167 0.3761 ( 5282 PWs) bands (ev): -12.7531 -12.7531 -9.6796 -9.6796 -6.6849 -6.6849 -3.0516 -3.0516 -2.1969 -2.1969 0.2011 0.2011 4.8790 4.8790 5.2858 5.2858 6.3365 6.3365 7.0184 7.0184 7.2645 7.2645 15.0428 15.0428 15.2421 15.2421 16.2311 16.2311 16.7156 16.7156 16.8733 16.8733 18.5021 18.5021 18.8572 18.8572 18.8738 18.8738 k = 0.2673 0.3095 0.3676 ( 5285 PWs) bands (ev): -12.7451 -12.7451 -9.7722 -9.7722 -6.5222 -6.5222 -3.0412 -3.0412 -2.1837 -2.1837 0.0183 0.0183 4.7801 4.7801 5.2004 5.2004 6.4830 6.4830 7.1534 7.1534 7.4695 7.4695 14.8972 14.8972 15.1147 15.1147 16.1301 16.1301 16.6749 16.6749 16.8116 16.8116 18.2969 18.2969 18.7987 18.7987 18.8145 18.8145 k = 0.2611 0.3023 0.3590 ( 5258 PWs) bands (ev): -12.7369 -12.7369 -9.8604 -9.8604 -6.3565 -6.3565 -3.0306 -3.0306 -2.1698 -2.1698 -0.1711 -0.1711 4.6848 4.6848 5.1150 5.1150 6.6300 6.6300 7.2927 7.2927 7.6816 7.6816 14.7431 14.7431 14.9758 14.9758 16.0289 16.0289 16.6458 16.6458 16.7646 16.7646 18.0889 18.0889 18.7388 18.7388 18.7551 18.7551 k = 0.2548 0.2951 0.3505 ( 5258 PWs) bands (ev): -12.7285 -12.7285 -9.9439 -9.9439 -6.1880 -6.1880 -3.0199 -3.0199 -2.1553 -2.1553 -0.3653 -0.3653 4.5936 4.5936 5.0309 5.0309 6.7768 6.7768 7.4348 7.4348 7.8988 7.8988 14.5832 14.5832 14.8278 14.8278 15.9270 15.9270 16.6263 16.6263 16.7307 16.7307 17.8808 17.8808 18.6784 18.6784 18.6957 18.6957 k = 0.2486 0.2879 0.3419 ( 5264 PWs) bands (ev): -12.7203 -12.7203 -10.0225 -10.0225 -6.0167 -6.0167 -3.0094 -3.0094 -2.1403 -2.1403 -0.5632 -0.5632 4.5065 4.5065 4.9489 4.9489 6.9227 6.9227 7.5784 7.5784 8.1191 8.1191 14.4200 14.4200 14.6734 14.6734 15.8246 15.8246 16.6146 16.6146 16.7078 16.7078 17.6747 17.6747 18.6183 18.6183 18.6365 18.6365 k = 0.2424 0.2807 0.3334 ( 5264 PWs) bands (ev): -12.7123 -12.7123 -10.0959 -10.0959 -5.8430 -5.8430 -2.9992 -2.9992 -2.1248 -2.1248 -0.7633 -0.7633 4.4238 4.4238 4.8698 4.8698 7.0670 7.0670 7.7222 7.7222 8.3408 8.3408 14.2558 14.2558 14.5154 14.5154 15.7216 15.7216 16.6087 16.6087 16.6941 16.6941 17.4729 17.4729 18.5591 18.5591 18.5781 18.5781 k = 0.2362 0.2735 0.3248 ( 5276 PWs) bands (ev): -12.7049 -12.7049 -10.1638 -10.1638 -5.6668 -5.6668 -2.9898 -2.9898 -2.1088 -2.1088 -0.9645 -0.9645 4.3455 4.3455 4.7940 4.7940 7.2090 7.2090 7.8652 7.8652 8.5619 8.5619 14.0929 14.0929 14.3562 14.3562 15.6181 15.6181 16.6064 16.6064 16.6879 16.6879 17.2780 17.2780 18.5013 18.5013 18.5208 18.5208 k = 0.2300 0.2663 0.3163 ( 5291 PWs) bands (ev): -12.6983 -12.6983 -10.2259 -10.2259 -5.4885 -5.4885 -2.9815 -2.9815 -2.0925 -2.0925 -1.1655 -1.1655 4.2718 4.2718 4.7219 4.7219 7.3477 7.3477 8.0063 8.0063 8.7804 8.7804 13.9330 13.9330 14.1981 14.1981 15.5143 15.5143 16.6039 16.6039 16.6879 16.6879 17.0942 17.0942 18.4453 18.4453 18.4650 18.4650 k = 0.2238 0.2591 0.3077 ( 5303 PWs) bands (ev): -12.6928 -12.6928 -10.2819 -10.2819 -5.3082 -5.3082 -2.9752 -2.9752 -2.0760 -2.0760 -1.3650 -1.3650 4.2029 4.2029 4.6538 4.6538 7.4821 7.4821 8.1442 8.1442 8.9942 8.9942 13.7781 13.7781 14.0432 14.0432 15.4109 15.4109 16.5929 16.5929 16.6928 16.6928 16.9307 16.9307 18.3916 18.3916 18.4111 18.4111 k = 0.2175 0.2519 0.2992 ( 5282 PWs) bands (ev): -12.6885 -12.6885 -10.3314 -10.3314 -5.1262 -5.1262 -2.9719 -2.9719 -2.0592 -2.0592 -1.5612 -1.5612 4.1389 4.1389 4.5899 4.5899 7.6109 7.6109 8.2776 8.2776 9.2008 9.2008 13.6301 13.6301 13.8937 13.8937 15.3087 15.3087 16.5508 16.5508 16.7017 16.7017 16.8107 16.8107 18.3406 18.3406 18.3595 18.3595 k = 0.2113 0.2447 0.2906 ( 5276 PWs) bands (ev): -12.6859 -12.6859 -10.3744 -10.3744 -4.9429 -4.9429 -2.9733 -2.9733 -2.0423 -2.0423 -1.7517 -1.7517 4.0798 4.0798 4.5305 4.5305 7.7329 7.7329 8.4050 8.4050 9.3974 9.3974 13.4908 13.4908 13.7518 13.7518 15.2094 15.2094 16.4533 16.4533 16.7135 16.7135 16.7589 16.7589 18.2926 18.2926 18.3105 18.3105 k = 0.2051 0.2375 0.2821 ( 5276 PWs) bands (ev): -12.6850 -12.6850 -10.4104 -10.4104 -4.7588 -4.7588 -2.9823 -2.9823 -2.0254 -2.0254 -1.9329 -1.9329 4.0257 4.0257 4.4757 4.4757 7.8464 7.8464 8.5247 8.5247 9.5810 9.5810 13.3622 13.3622 13.6195 13.6195 15.1153 15.1153 16.3248 16.3248 16.7276 16.7276 16.7513 16.7513 18.2482 18.2482 18.2644 18.2644 k = 0.1989 0.2303 0.2735 ( 5270 PWs) bands (ev): -12.6861 -12.6861 -10.4394 -10.4394 -4.5747 -4.5747 -3.0033 -3.0033 -2.0996 -2.0996 -2.0085 -2.0085 3.9769 3.9769 4.4257 4.4257 7.9500 7.9500 8.6348 8.6348 9.7479 9.7479 13.2462 13.2462 13.4993 13.4993 15.0296 15.0296 16.1927 16.1927 16.7430 16.7430 16.7603 16.7603 18.2077 18.2077 18.2218 18.2218 k = 0.1927 0.2231 0.2650 ( 5264 PWs) bands (ev): -12.6894 -12.6894 -10.4611 -10.4611 -4.3916 -4.3916 -3.0429 -3.0429 -2.2437 -2.2437 -1.9917 -1.9917 3.9333 3.9333 4.3806 4.3806 8.0417 8.0417 8.7334 8.7334 9.8943 9.8943 13.1449 13.1449 13.3934 13.3934 14.9559 14.9559 16.0666 16.0666 16.7593 16.7593 16.7758 16.7758 18.1715 18.1715 18.1828 18.1828 k = 0.1865 0.2159 0.2564 ( 5264 PWs) bands (ev): -12.6949 -12.6949 -10.4754 -10.4754 -4.2120 -4.2120 -3.1079 -3.1079 -2.3563 -2.3563 -1.9752 -1.9752 3.8950 3.8950 4.3406 4.3406 8.1199 8.1199 8.8184 8.8184 10.0159 10.0159 13.0603 13.0603 13.3042 13.3042 14.8987 14.8987 15.9496 15.9496 16.7756 16.7756 16.7941 16.7941 18.1402 18.1402 18.1481 18.1481 k = 0.1803 0.2087 0.2479 ( 5264 PWs) bands (ev): -12.7026 -12.7026 -10.4822 -10.4822 -4.0405 -4.0405 -3.1989 -3.1989 -2.4317 -2.4317 -1.9589 -1.9589 3.8622 3.8622 4.3057 4.3057 8.1828 8.1828 8.8875 8.8875 10.1089 10.1089 12.9943 12.9943 13.2342 13.2342 14.8622 14.8622 15.8427 15.8427 16.7913 16.7913 16.8134 16.8134 18.1142 18.1142 18.1180 18.1180 k = 0.1740 0.2015 0.2393 ( 5240 PWs) bands (ev): -12.7126 -12.7126 -10.4817 -10.4817 -3.8904 -3.8904 -3.3009 -3.3009 -2.4718 -2.4718 -1.9430 -1.9430 3.8348 3.8348 4.2762 4.2762 8.2288 8.2288 8.9389 8.9389 10.1696 10.1696 12.9485 12.9485 13.1853 13.1853 14.8498 14.8498 15.7467 15.7467 16.8058 16.8058 16.8325 16.8325 18.0931 18.0931 18.0939 18.0939 k = 0.1678 0.1943 0.2308 ( 5234 PWs) bands (ev): -12.7248 -12.7248 -10.4737 -10.4737 -3.8038 -3.8038 -3.3657 -3.3657 -2.4827 -2.4827 -1.9275 -1.9275 3.8130 3.8130 4.2519 4.2519 8.2568 8.2568 8.9710 8.9710 10.1958 10.1958 12.9242 12.9242 13.1594 13.1594 14.8634 14.8634 15.6624 15.6624 16.8185 16.8185 16.8506 16.8506 18.0738 18.0738 18.0798 18.0798 k = 0.1616 0.1871 0.2222 ( 5234 PWs) bands (ev): -12.7391 -12.7391 -10.4586 -10.4586 -3.8444 -3.8444 -3.3248 -3.3248 -2.4691 -2.4691 -1.9124 -1.9124 3.7967 3.7967 4.2331 4.2331 8.2661 8.2661 8.9829 8.9829 10.1866 10.1866 12.9223 12.9223 13.1575 13.1575 14.9016 14.9016 15.5921 15.5921 16.8290 16.8290 16.8668 16.8668 18.0605 18.0605 18.0721 18.0721 k = 0.1554 0.1799 0.2137 ( 5246 PWs) bands (ev): -12.7553 -12.7553 -10.4365 -10.4365 -3.9758 -3.9758 -3.2142 -3.2142 -2.4317 -2.4317 -1.8980 -1.8980 3.7861 3.7861 4.2196 4.2196 8.2565 8.2565 8.9744 8.9744 10.1427 10.1427 12.9431 12.9431 13.1799 13.1799 14.9582 14.9582 15.5416 15.5416 16.8368 16.8368 16.8807 16.8807 18.0536 18.0536 18.0712 18.0712 k = 0.1492 0.1727 0.2052 ( 5252 PWs) bands (ev): -12.7731 -12.7731 -10.4075 -10.4075 -4.1400 -4.1400 -3.0951 -3.0951 -2.3673 -2.3673 -1.8841 -1.8841 3.7811 3.7811 4.2117 4.2117 8.2284 8.2284 8.9459 8.9459 10.0665 10.0665 12.9860 12.9860 13.2262 13.2262 15.0184 15.0184 15.5235 15.5235 16.8418 16.8418 16.8919 16.8919 18.0533 18.0533 18.0772 18.0772 k = 0.1430 0.1655 0.1966 ( 5258 PWs) bands (ev): -12.7923 -12.7923 -10.3719 -10.3719 -4.3164 -4.3164 -2.9921 -2.9921 -2.2719 -2.2719 -1.8709 -1.8709 3.7818 3.7818 4.2092 4.2092 8.1829 8.1829 8.8988 8.8988 9.9611 9.9611 13.0504 13.0504 13.2952 13.2952 15.0589 15.0589 15.5578 15.5578 16.8437 16.8437 16.8999 16.8999 18.0599 18.0599 18.0899 18.0899 k = 0.1367 0.1583 0.1881 ( 5264 PWs) bands (ev): -12.8127 -12.8127 -10.3301 -10.3301 -4.4979 -4.4979 -2.9125 -2.9125 -2.1453 -2.1453 -1.8583 -1.8583 3.7881 3.7881 4.2122 4.2122 8.1213 8.1213 8.8347 8.8347 9.8306 9.8306 13.1347 13.1347 13.3853 13.3853 15.0648 15.0648 15.6554 15.6554 16.8428 16.8428 16.9048 16.9048 18.0732 18.0732 18.1093 18.1093 k = 0.1305 0.1511 0.1795 ( 5273 PWs) bands (ev): -12.8339 -12.8339 -10.2822 -10.2822 -4.6816 -4.6816 -2.8545 -2.8545 -1.9926 -1.9926 -1.8465 -1.8465 3.8001 3.8001 4.2206 4.2206 8.0454 8.0454 8.7557 8.7557 9.6788 9.6788 13.2373 13.2373 13.4945 13.4945 15.0442 15.0442 15.8046 15.8046 16.8392 16.8392 16.9066 16.9066 18.0931 18.0931 18.1349 18.1349 k = 0.1243 0.1439 0.1710 ( 5279 PWs) bands (ev): -12.8558 -12.8558 -10.2286 -10.2286 -4.8657 -4.8657 -2.8125 -2.8125 -1.8354 -1.8354 -1.8211 -1.8211 3.8177 3.8177 4.2343 4.2343 7.9570 7.9570 8.6641 8.6641 9.5095 9.5095 13.3563 13.3563 13.6206 13.6206 15.0103 15.0103 15.9883 15.9883 16.8331 16.8331 16.9055 16.9055 18.1192 18.1192 18.1664 18.1664 k = 0.1181 0.1367 0.1624 ( 5273 PWs) bands (ev): -12.8780 -12.8780 -10.1695 -10.1695 -5.0494 -5.0494 -2.7816 -2.7816 -1.8250 -1.8250 -1.6370 -1.6370 3.8409 3.8409 4.2534 4.2534 7.8578 7.8578 8.5618 8.5618 9.3263 9.3263 13.4900 13.4900 13.7615 13.7615 14.9712 14.9712 16.1948 16.1948 16.8249 16.8249 16.9021 16.9021 18.1510 18.1510 18.2032 18.2032 k = 0.1119 0.1295 0.1539 ( 5273 PWs) bands (ev): -12.9004 -12.9004 -10.1052 -10.1052 -5.2320 -5.2320 -2.7579 -2.7579 -1.8154 -1.8154 -1.4450 -1.4450 3.8695 3.8695 4.2777 4.2777 7.7497 7.7497 8.4511 8.4511 9.1322 9.1322 13.6364 13.6364 13.9152 13.9152 14.9310 14.9310 16.4168 16.4168 16.8150 16.8150 16.8971 16.8971 18.1879 18.1879 18.2446 18.2446 k = 0.1057 0.1223 0.1453 ( 5264 PWs) bands (ev): -12.9226 -12.9226 -10.0360 -10.0360 -5.4131 -5.4131 -2.7392 -2.7392 -1.8065 -1.8065 -1.2480 -1.2480 3.9036 3.9036 4.3070 4.3070 7.6343 7.6343 8.3337 8.3337 8.9299 8.9299 13.7936 13.7936 14.0799 14.0799 14.8914 14.8914 16.6473 16.6473 16.8039 16.8039 16.8935 16.8935 18.2294 18.2294 18.2901 18.2901 k = 0.0994 0.1152 0.1368 ( 5258 PWs) bands (ev): -12.9445 -12.9445 -9.9620 -9.9620 -5.5923 -5.5923 -2.7240 -2.7240 -1.7983 -1.7983 -1.0482 -1.0482 3.9430 3.9430 4.3413 4.3413 7.5131 7.5131 8.2112 8.2112 8.7217 8.7217 13.9600 13.9600 14.2539 14.2539 14.8538 14.8538 16.7920 16.7920 16.8381 16.8381 16.9368 16.9368 18.2748 18.2748 18.3390 18.3390 k = 0.0932 0.1080 0.1282 ( 5252 PWs) bands (ev): -12.9659 -12.9659 -9.8836 -9.8836 -5.7695 -5.7695 -2.7115 -2.7115 -1.7909 -1.7909 -0.8471 -0.8471 3.9877 3.9877 4.3802 4.3802 7.3874 7.3874 8.0853 8.0853 8.5097 8.5097 14.1334 14.1334 14.4356 14.4356 14.8190 14.8190 16.7795 16.7795 16.8556 16.8556 17.1582 17.1582 18.3236 18.3236 18.3907 18.3907 k = 0.0870 0.1008 0.1197 ( 5246 PWs) bands (ev): -12.9866 -12.9866 -9.8009 -9.8009 -5.9443 -5.9443 -2.7010 -2.7010 -1.7842 -1.7842 -0.6462 -0.6462 4.0373 4.0373 4.4235 4.4235 7.2585 7.2585 7.9572 7.9572 8.2958 8.2958 14.3113 14.3113 14.6238 14.6238 14.7888 14.7888 16.7670 16.7670 16.8475 16.8475 17.4081 17.4081 18.3754 18.3754 18.4445 18.4445 k = 0.0808 0.0936 0.1111 ( 5246 PWs) bands (ev): -13.0065 -13.0065 -9.7142 -9.7142 -6.1167 -6.1167 -2.6920 -2.6920 -1.7781 -1.7781 -0.4466 -0.4466 4.0919 4.0919 4.4710 4.4710 7.1274 7.1274 7.8281 7.8281 8.0819 8.0819 14.4868 14.4868 14.7689 14.7689 14.8171 14.8171 16.7547 16.7547 16.8368 16.8368 17.6616 17.6616 18.4300 18.4300 18.4997 18.4997 k = 0.0746 0.0864 0.1026 ( 5243 PWs) bands (ev): -13.0253 -13.0253 -9.6237 -9.6237 -6.2863 -6.2863 -2.6844 -2.6844 -1.7727 -1.7727 -0.2495 -0.2495 4.1511 4.1511 4.5222 4.5222 6.9952 6.9952 7.6992 7.6992 7.8696 7.8696 14.6237 14.6237 14.7941 14.7941 15.0142 15.0142 16.7430 16.7430 16.8254 16.8254 17.9139 17.9139 18.4881 18.4881 18.5555 18.5555 k = 0.0684 0.0792 0.0940 ( 5246 PWs) bands (ev): -13.0431 -13.0431 -9.5296 -9.5296 -6.4530 -6.4530 -2.6779 -2.6779 -1.7679 -1.7679 -0.0563 -0.0563 4.2147 4.2147 4.5768 4.5768 6.8627 6.8627 7.5715 7.5715 7.6607 7.6607 14.6527 14.6527 14.9327 14.9327 15.2140 15.2140 16.7323 16.7323 16.8138 16.8138 18.1588 18.1588 18.5533 18.5533 18.6113 18.6113 k = 0.0622 0.0720 0.0855 ( 5249 PWs) bands (ev): -13.0596 -13.0596 -9.4322 -9.4322 -6.6166 -6.6166 -2.6723 -2.6723 -1.7637 -1.7637 0.1318 0.1318 4.2824 4.2824 4.6341 4.6341 6.7308 6.7308 7.4461 7.4461 7.4571 7.4571 14.6402 14.6402 15.1171 15.1171 15.4149 15.4149 16.7231 16.7231 16.8023 16.8023 18.3792 18.3792 18.6398 18.6398 18.6663 18.6663 k = 0.0559 0.0648 0.0769 ( 5249 PWs) bands (ev): -13.0748 -13.0748 -9.3318 -9.3318 -6.7768 -6.7768 -2.6676 -2.6676 -1.7600 -1.7600 0.3132 0.3132 4.3538 4.3538 4.6935 4.6935 6.6006 6.6006 7.2605 7.2605 7.3242 7.3242 14.6221 14.6221 15.3100 15.3100 15.6153 15.6153 16.7160 16.7160 16.7913 16.7913 18.5324 18.5324 18.7194 18.7194 18.7879 18.7879 k = 0.0497 0.0576 0.0684 ( 5243 PWs) bands (ev): -13.0886 -13.0886 -9.2288 -9.2288 -6.9332 -6.9332 -2.6636 -2.6636 -1.7568 -1.7568 0.4860 0.4860 4.4283 4.4283 4.7541 4.7541 6.4728 6.4728 7.0731 7.0731 7.2068 7.2068 14.6039 14.6039 15.5042 15.5042 15.8129 15.8129 16.7119 16.7119 16.7807 16.7807 18.6162 18.6162 18.7698 18.7698 18.9964 18.9964 k = 0.0435 0.0504 0.0598 ( 5243 PWs) bands (ev): -13.1009 -13.1009 -9.1236 -9.1236 -7.0855 -7.0855 -2.6602 -2.6602 -1.7541 -1.7541 0.6480 0.6480 4.5051 4.5051 4.8148 4.8148 6.3486 6.3486 6.8973 6.8973 7.0954 7.0954 14.5871 14.5871 15.6961 15.6961 16.0040 16.0040 16.7129 16.7129 16.7707 16.7707 18.6718 18.6718 18.8161 18.8161 19.2202 19.2202 k = 0.0373 0.0432 0.0513 ( 5240 PWs) bands (ev): -13.1117 -13.1117 -9.0170 -9.0170 -7.2328 -7.2328 -2.6573 -2.6573 -1.7518 -1.7518 0.7971 0.7971 4.5833 4.5833 4.8744 4.8744 6.2294 6.2294 6.7355 6.7355 6.9916 6.9916 14.5723 14.5723 15.8828 15.8828 16.1826 16.1826 16.7227 16.7227 16.7611 16.7611 18.7141 18.7141 18.8567 18.8567 19.4391 19.4391 k = 0.0311 0.0360 0.0427 ( 5225 PWs) bands (ev): -13.1210 -13.1210 -8.9102 -8.9102 -7.3740 -7.3740 -2.6550 -2.6550 -1.7500 -1.7500 0.9304 0.9304 4.6612 4.6612 4.9310 4.9310 6.1168 6.1168 6.5907 6.5907 6.8972 6.8972 14.5596 14.5596 16.0609 16.0609 16.3372 16.3372 16.7495 16.7495 16.7518 16.7518 18.7451 18.7451 18.8893 18.8893 19.4094 19.4094 k = 0.0249 0.0288 0.0342 ( 5237 PWs) bands (ev): -13.1286 -13.1286 -8.8051 -8.8051 -7.5073 -7.5073 -2.6532 -2.6532 -1.7485 -1.7485 1.0451 1.0451 4.7366 4.7366 4.9827 4.9827 6.0132 6.0132 6.4659 6.4659 6.8145 6.8145 14.5491 14.5491 16.2258 16.2258 16.4502 16.4502 16.7421 16.7421 16.8062 16.8062 18.7630 18.7630 18.9094 18.9094 19.2627 19.2627 k = 0.0186 0.0216 0.0256 ( 5243 PWs) bands (ev): -13.1345 -13.1345 -8.7051 -8.7051 -7.6291 -7.6291 -2.6519 -2.6519 -1.7474 -1.7474 1.1384 1.1384 4.8060 4.8060 5.0270 5.0270 5.9221 5.9221 6.3644 6.3644 6.7459 6.7459 14.5409 14.5409 16.3722 16.3722 16.5137 16.5137 16.7309 16.7309 16.8938 16.8938 18.7634 18.7634 18.9087 18.9087 19.1476 19.1476 k = 0.0124 0.0144 0.0171 ( 5243 PWs) bands (ev): -13.1388 -13.1388 -8.6168 -8.6168 -7.7330 -7.7330 -2.6509 -2.6509 -1.7466 -1.7466 1.2074 1.2074 4.8641 4.8641 5.0613 5.0613 5.8487 5.8487 6.2892 6.2892 6.6942 6.6942 14.5351 14.5351 16.4942 16.4942 16.5431 16.5431 16.7159 16.7159 16.9872 16.9872 18.7454 18.7454 18.8791 18.8791 19.0736 19.0736 k = 0.0062 0.0072 0.0085 ( 5243 PWs) bands (ev): -13.1414 -13.1414 -8.5521 -8.5521 -7.8072 -7.8072 -2.6503 -2.6503 -1.7461 -1.7461 1.2498 1.2498 4.9038 4.9038 5.0831 5.0831 5.7998 5.7998 6.2429 6.2429 6.6619 6.6619 14.5316 14.5316 16.5555 16.5555 16.5866 16.5866 16.6930 16.6930 17.0566 17.0566 18.7209 18.7209 18.8380 18.8380 19.0377 19.0377 k = 0.0000 0.0000 0.0000 ( 5249 PWs) bands (ev): -13.1422 -13.1422 -8.5274 -8.5274 -7.8350 -7.8350 -2.6501 -2.6501 -1.7459 -1.7459 1.2642 1.2642 4.9181 4.9181 5.0906 5.0906 5.7825 5.7825 6.2273 6.2273 6.6509 6.6509 14.5304 14.5304 16.5589 16.5589 16.6387 16.6387 16.6651 16.6651 17.0822 17.0822 18.7097 18.7097 18.8194 18.8194 19.0277 19.0277 k = 0.0000 0.0000 0.0000 ( 5249 PWs) bands (ev): -13.1422 -13.1422 -8.5274 -8.5274 -7.8350 -7.8350 -2.6501 -2.6501 -1.7459 -1.7459 1.2642 1.2642 4.9181 4.9181 5.0906 5.0906 5.7825 5.7825 6.2273 6.2273 6.6509 6.6509 14.5304 14.5304 16.5589 16.5589 16.6387 16.6387 16.6651 16.6651 17.0822 17.0822 18.7097 18.7097 18.8194 18.8194 19.0277 19.0277 k = 0.0096-0.0083-0.0000 ( 5245 PWs) bands (ev): -13.1419 -13.1419 -8.5275 -8.5275 -7.8352 -7.8352 -2.6505 -2.6505 -1.7463 -1.7463 1.2641 1.2641 4.9182 4.9182 5.0902 5.0902 5.7832 5.7832 6.2273 6.2273 6.6513 6.6513 14.5321 14.5321 16.5545 16.5545 16.6433 16.6433 16.6635 16.6635 17.0840 17.0840 18.7091 18.7091 18.8173 18.8173 19.0283 19.0283 k = 0.0192-0.0166-0.0000 ( 5245 PWs) bands (ev): -13.1411 -13.1411 -8.5279 -8.5279 -7.8357 -7.8357 -2.6515 -2.6515 -1.7475 -1.7475 1.2639 1.2639 4.9184 4.9184 5.0888 5.0888 5.7851 5.7851 6.2273 6.2273 6.6523 6.6523 14.5373 14.5373 16.5429 16.5429 16.6531 16.6531 16.6613 16.6613 17.0893 17.0893 18.7071 18.7071 18.8108 18.8108 19.0297 19.0297 k = 0.0288-0.0249-0.0000 ( 5245 PWs) bands (ev): -13.1397 -13.1397 -8.5285 -8.5285 -7.8366 -7.8366 -2.6532 -2.6532 -1.7495 -1.7495 1.2635 1.2635 4.9188 4.9188 5.0867 5.0867 5.7884 5.7884 6.2272 6.2272 6.6539 6.6539 14.5458 14.5458 16.5262 16.5262 16.6498 16.6498 16.6750 16.6750 17.0981 17.0981 18.7037 18.7037 18.8002 18.8002 19.0313 19.0313 k = 0.0385-0.0332-0.0000 ( 5247 PWs) bands (ev): -13.1378 -13.1378 -8.5293 -8.5293 -7.8378 -7.8378 -2.6556 -2.6556 -1.7522 -1.7522 1.2629 1.2629 4.9192 4.9192 5.0838 5.0838 5.7928 5.7928 6.2272 6.2272 6.6561 6.6561 14.5577 14.5577 16.5052 16.5052 16.6415 16.6415 16.6957 16.6957 17.1100 17.1100 18.6985 18.6985 18.7856 18.7856 19.0318 19.0318 k = 0.0481-0.0415-0.0000 ( 5249 PWs) bands (ev): -13.1354 -13.1354 -8.5303 -8.5303 -7.8394 -7.8394 -2.6587 -2.6587 -1.7557 -1.7557 1.2622 1.2622 4.9198 4.9198 5.0803 5.0803 5.7983 5.7983 6.2272 6.2272 6.6590 6.6590 14.5727 14.5727 16.4797 16.4797 16.6329 16.6329 16.7196 16.7196 17.1251 17.1251 18.6909 18.6909 18.7675 18.7675 19.0298 19.0298 k = 0.0577-0.0498-0.0000 ( 5245 PWs) bands (ev): -13.1324 -13.1324 -8.5316 -8.5316 -7.8413 -7.8413 -2.6625 -2.6625 -1.7599 -1.7599 1.2614 1.2614 4.9205 4.9205 5.0763 5.0763 5.8048 5.8048 6.2272 6.2272 6.6624 6.6624 14.5908 14.5908 16.4495 16.4495 16.6251 16.6251 16.7463 16.7463 17.1431 17.1431 18.6800 18.6800 18.7466 18.7466 19.0248 19.0248 k = 0.0673-0.0581-0.0000 ( 5241 PWs) bands (ev): -13.1289 -13.1289 -8.5331 -8.5331 -7.8435 -7.8435 -2.6669 -2.6669 -1.7649 -1.7649 1.2604 1.2604 4.9212 4.9212 5.0721 5.0721 5.8122 5.8122 6.2273 6.2273 6.6663 6.6663 14.6116 14.6116 16.4145 16.4145 16.6185 16.6185 16.7755 16.7755 17.1640 17.1640 18.6642 18.6642 18.7244 18.7244 19.0177 19.0177 k = 0.0769-0.0664-0.0000 ( 5243 PWs) bands (ev): -13.1249 -13.1249 -8.5348 -8.5348 -7.8461 -7.8461 -2.6720 -2.6720 -1.7705 -1.7705 1.2593 1.2593 4.9218 4.9218 5.0677 5.0677 5.8203 5.8203 6.2275 6.2275 6.6706 6.6706 14.6351 14.6351 16.3753 16.3753 16.6134 16.6134 16.8071 16.8071 17.1876 17.1876 18.6418 18.6418 18.7028 18.7028 19.0101 19.0101 k = 0.0865-0.0747-0.0000 ( 5243 PWs) bands (ev): -13.1205 -13.1205 -8.5367 -8.5367 -7.8489 -7.8489 -2.6778 -2.6778 -1.7769 -1.7769 1.2580 1.2580 4.9224 4.9224 5.0634 5.0634 5.8291 5.8291 6.2277 6.2277 6.6753 6.6753 14.6608 14.6608 16.3322 16.3322 16.6097 16.6097 16.8411 16.8411 17.2141 17.2141 18.6121 18.6121 18.6828 18.6828 19.0033 19.0033 k = 0.0962-0.0830-0.0000 ( 5247 PWs) bands (ev): -13.1155 -13.1155 -8.5388 -8.5388 -7.8520 -7.8520 -2.6842 -2.6842 -1.7839 -1.7839 1.2567 1.2567 4.9227 4.9227 5.0595 5.0595 5.8383 5.8383 6.2282 6.2282 6.6804 6.6804 14.6884 14.6884 16.2860 16.2860 16.6072 16.6072 16.8772 16.8772 17.2433 17.2433 18.5762 18.5762 18.6640 18.6640 18.9982 18.9982 k = 0.1058-0.0913-0.0000 ( 5257 PWs) bands (ev): -13.1101 -13.1101 -8.5411 -8.5411 -7.8554 -7.8554 -2.6914 -2.6914 -1.7915 -1.7915 1.2551 1.2551 4.9228 4.9228 5.0561 5.0561 5.8478 5.8478 6.2288 6.2288 6.6858 6.6858 14.7176 14.7176 16.2373 16.2373 16.6058 16.6058 16.9153 16.9153 17.2752 17.2752 18.5357 18.5357 18.6458 18.6458 18.9950 18.9950 k = 0.1154-0.0997-0.0000 ( 5251 PWs) bands (ev): -13.1042 -13.1042 -8.5436 -8.5436 -7.8591 -7.8591 -2.6991 -2.6991 -1.7998 -1.7998 1.2535 1.2535 4.9225 4.9225 5.0536 5.0536 5.8575 5.8575 6.2296 6.2296 6.6914 6.6914 14.7479 14.7479 16.1871 16.1871 16.6054 16.6054 16.9552 16.9552 17.3099 17.3099 18.4921 18.4921 18.6279 18.6279 18.9941 18.9941 k = 0.1250-0.1080-0.0000 ( 5247 PWs) bands (ev): -13.0979 -13.0979 -8.5462 -8.5462 -7.8630 -7.8630 -2.7076 -2.7076 -1.8085 -1.8085 1.2517 1.2517 4.9218 4.9218 5.0521 5.0521 5.8673 5.8673 6.2305 6.2305 6.6971 6.6971 14.7787 14.7787 16.1361 16.1361 16.6058 16.6058 16.9965 16.9965 17.3472 17.3472 18.4464 18.4464 18.6110 18.6110 18.9951 18.9951 k = 0.1346-0.1163-0.0000 ( 5255 PWs) bands (ev): -13.0912 -13.0912 -8.5491 -8.5491 -7.8671 -7.8671 -2.7166 -2.7166 -1.8178 -1.8178 1.2499 1.2499 4.9207 4.9207 5.0518 5.0518 5.8769 5.8769 6.2317 6.2317 6.7029 6.7029 14.8094 14.8094 16.0851 16.0851 16.6069 16.6069 17.0388 17.0388 17.3869 17.3869 18.3993 18.3993 18.5958 18.5958 18.9980 18.9980 k = 0.1442-0.1246-0.0000 ( 5253 PWs) bands (ev): -13.0841 -13.0841 -8.5521 -8.5521 -7.8714 -7.8714 -2.7263 -2.7263 -1.8275 -1.8275 1.2479 1.2479 4.9191 4.9191 5.0529 5.0529 5.8863 5.8863 6.2330 6.2330 6.7087 6.7087 14.8392 14.8392 16.0353 16.0353 16.6087 16.6087 17.0815 17.0815 17.4292 17.4292 18.3518 18.3518 18.5833 18.5833 19.0024 19.0024 k = 0.1538-0.1329-0.0000 ( 5247 PWs) bands (ev): -13.0766 -13.0766 -8.5552 -8.5552 -7.8759 -7.8759 -2.7366 -2.7366 -1.8377 -1.8377 1.2459 1.2459 4.9171 4.9171 5.0554 5.0554 5.8953 5.8953 6.2346 6.2346 6.7145 6.7145 14.8672 14.8672 15.9876 15.9876 16.6111 16.6111 17.1239 17.1239 17.4738 17.4738 18.3044 18.3044 18.5748 18.5748 19.0080 19.0080 k = 0.1635-0.1412-0.0000 ( 5255 PWs) bands (ev): -13.0688 -13.0688 -8.5585 -8.5585 -7.8805 -7.8805 -2.7476 -2.7476 -1.8483 -1.8483 1.2437 1.2437 4.9150 4.9150 5.0593 5.0593 5.9038 5.9038 6.2363 6.2363 6.7200 6.7200 14.8924 14.8924 15.9434 15.9434 16.6140 16.6140 17.1651 17.1651 17.5207 17.5207 18.2577 18.2577 18.5716 18.5716 19.0145 19.0145 k = 0.1731-0.1495-0.0000 ( 5255 PWs) bands (ev): -13.0607 -13.0607 -8.5618 -8.5618 -7.8853 -7.8853 -2.7591 -2.7591 -1.8591 -1.8591 1.2415 1.2415 4.9127 4.9127 5.0646 5.0646 5.9118 5.9118 6.2382 6.2382 6.7254 6.7254 14.9136 14.9136 15.9039 15.9039 16.6176 16.6176 17.2043 17.2043 17.5700 17.5700 18.2125 18.2125 18.5749 18.5749 19.0216 19.0216 k = 0.1827-0.1578-0.0000 ( 5259 PWs) bands (ev): -13.0524 -13.0524 -8.5653 -8.5653 -7.8902 -7.8902 -2.7711 -2.7711 -1.8703 -1.8703 1.2392 1.2392 4.9105 4.9105 5.0712 5.0712 5.9191 5.9191 6.2402 6.2402 6.7305 6.7305 14.9294 14.9294 15.8705 15.8705 16.6217 16.6217 17.2403 17.2403 17.6213 17.6213 18.1695 18.1695 18.5857 18.5857 19.0291 19.0291 k = 0.1923-0.1661-0.0000 ( 5253 PWs) bands (ev): -13.0437 -13.0437 -8.5689 -8.5689 -7.8952 -7.8952 -2.7837 -2.7837 -1.8817 -1.8817 1.2368 1.2368 4.9085 4.9085 5.0792 5.0792 5.9257 5.9257 6.2422 6.2422 6.7351 6.7351 14.9386 14.9386 15.8446 15.8446 16.6265 16.6265 17.2723 17.2723 17.6747 17.6747 18.1297 18.1297 18.6051 18.6051 19.0366 19.0366 k = 0.2019-0.1744-0.0000 ( 5257 PWs) bands (ev): -13.0349 -13.0349 -8.5726 -8.5726 -7.9003 -7.9003 -2.7968 -2.7968 -1.8932 -1.8932 1.2344 1.2344 4.9069 4.9069 5.0883 5.0883 5.9316 5.9316 6.2443 6.2443 6.7393 6.7393 14.9403 14.9403 15.8273 15.8273 16.6319 16.6319 17.2995 17.2995 17.7288 17.7288 18.0949 18.0949 18.6335 18.6335 19.0440 19.0440 k = 0.2115-0.1827-0.0000 ( 5259 PWs) bands (ev): -13.0258 -13.0258 -8.5763 -8.5763 -7.9055 -7.9055 -2.8104 -2.8104 -1.9049 -1.9049 1.2319 1.2319 4.9058 4.9058 5.0986 5.0986 5.9366 5.9366 6.2464 6.2464 6.7430 6.7430 14.9338 14.9338 15.8192 15.8192 16.6378 16.6378 17.3217 17.3217 17.7809 17.7809 18.0684 18.0684 18.6713 18.6713 19.0509 19.0509 k = 0.2212-0.1910-0.0000 ( 5259 PWs) bands (ev): -13.0166 -13.0166 -8.5801 -8.5801 -7.9106 -7.9106 -2.8245 -2.8245 -1.9166 -1.9166 1.2294 1.2294 4.9053 4.9053 5.1100 5.1100 5.9408 5.9408 6.2484 6.2484 6.7460 6.7460 14.9191 14.9191 15.8204 15.8204 16.6445 16.6445 17.3391 17.3391 17.8243 17.8243 18.0572 18.0572 18.7181 18.7181 19.0574 19.0574 k = 0.2308-0.1993-0.0000 ( 5259 PWs) bands (ev): -13.0073 -13.0073 -8.5840 -8.5840 -7.9158 -7.9158 -2.8389 -2.8389 -1.9284 -1.9284 1.2269 1.2269 4.9056 4.9056 5.1224 5.1224 5.9441 5.9441 6.2502 6.2502 6.7483 6.7483 14.8969 14.8969 15.8303 15.8303 16.6517 16.6517 17.3523 17.3523 17.8485 17.8485 18.0719 18.0719 18.7734 18.7734 19.0631 19.0632 k = 0.2404-0.2076-0.0000 ( 5267 PWs) bands (ev): -12.9978 -12.9978 -8.5879 -8.5879 -7.9209 -7.9209 -2.8538 -2.8538 -1.9401 -1.9401 1.2243 1.2243 4.9066 4.9066 5.1358 5.1358 5.9466 5.9466 6.2518 6.2518 6.7498 6.7498 14.8681 14.8681 15.8481 15.8481 16.6597 16.6597 17.3620 17.3620 17.8501 17.8501 18.1155 18.1155 18.8365 18.8365 19.0683 19.0683 k = 0.2500-0.2159-0.0000 ( 5263 PWs) bands (ev): -12.9883 -12.9883 -8.5917 -8.5917 -7.9261 -7.9261 -2.8689 -2.8689 -1.9518 -1.9518 1.2218 1.2218 4.9085 4.9085 5.1503 5.1503 5.9482 5.9482 6.2531 6.2531 6.7505 6.7505 14.8341 14.8341 15.8724 15.8724 16.6683 16.6683 17.3694 17.3694 17.8381 17.8381 18.1789 18.1789 18.9064 18.9064 19.0730 19.0730 k = 0.2596-0.2242-0.0000 ( 5267 PWs) bands (ev): -12.9788 -12.9788 -8.5956 -8.5956 -7.9312 -7.9312 -2.8844 -2.8844 -1.9633 -1.9633 1.2192 1.2192 4.9114 4.9114 5.1656 5.1656 5.9490 5.9490 6.2541 6.2541 6.7503 6.7503 14.7960 14.7960 15.9020 15.9020 16.6775 16.6775 17.3754 17.3754 17.8211 17.8211 18.2528 18.2528 18.9812 18.9812 19.0782 19.0782 k = 0.2692-0.2325-0.0000 ( 5254 PWs) bands (ev): -12.9693 -12.9693 -8.5995 -8.5995 -7.9362 -7.9362 -2.9000 -2.9000 -1.9746 -1.9746 1.2167 1.2167 4.9151 4.9151 5.1818 5.1818 5.9489 5.9489 6.2547 6.2547 6.7492 6.7492 14.7551 14.7551 15.9359 15.9359 16.6874 16.6874 17.3810 17.3810 17.8033 17.8033 18.3324 18.3324 19.0524 19.0524 19.0917 19.0917 k = 0.2788-0.2408-0.0000 ( 5256 PWs) bands (ev): -12.9598 -12.9598 -8.6033 -8.6033 -7.9411 -7.9411 -2.9158 -2.9158 -1.9858 -1.9858 1.2141 1.2141 4.9198 4.9198 5.1989 5.1989 5.9481 5.9481 6.2549 6.2549 6.7471 6.7471 14.7124 14.7124 15.9731 15.9731 16.6979 16.6979 17.3870 17.3870 17.7866 17.7866 18.4144 18.4144 19.0768 19.0768 19.1564 19.1564 k = 0.2885-0.2491-0.0000 ( 5256 PWs) bands (ev): -12.9504 -12.9504 -8.6071 -8.6071 -7.9459 -7.9459 -2.9317 -2.9317 -1.9967 -1.9967 1.2116 1.2116 4.9254 4.9254 5.2169 5.2169 5.9464 5.9464 6.2547 6.2547 6.7439 6.7439 14.6686 14.6686 16.0126 16.0126 16.7089 16.7089 17.3943 17.3943 17.7720 17.7720 18.4961 18.4961 19.0849 19.0849 19.2418 19.2418 k = 0.2981-0.2574-0.0000 ( 5258 PWs) bands (ev): -12.9412 -12.9412 -8.6109 -8.6109 -7.9506 -7.9506 -2.9476 -2.9476 -2.0073 -2.0073 1.2091 1.2091 4.9319 4.9319 5.2355 5.2355 5.9440 5.9440 6.2540 6.2540 6.7397 6.7397 14.6244 14.6244 16.0538 16.0538 16.7204 16.7204 17.4036 17.4036 17.7600 17.7600 18.5744 18.5744 19.0954 19.0954 19.3295 19.3295 k = 0.3077-0.2657-0.0000 ( 5258 PWs) bands (ev): -12.9320 -12.9320 -8.6145 -8.6145 -7.9552 -7.9552 -2.9635 -2.9635 -2.0175 -2.0175 1.2067 1.2067 4.9393 4.9393 5.2550 5.2550 5.9408 5.9408 6.2529 6.2529 6.7344 6.7344 14.5804 14.5804 16.0963 16.0963 16.7323 16.7323 17.4155 17.4155 17.7509 17.7509 18.6451 18.6451 19.1130 19.1130 19.4150 19.4150 k = 0.3173-0.2740-0.0000 ( 5258 PWs) bands (ev): -12.9231 -12.9231 -8.6181 -8.6181 -7.9596 -7.9596 -2.9792 -2.9792 -2.0274 -2.0274 1.2043 1.2043 4.9476 4.9476 5.2751 5.2751 5.9368 5.9368 6.2513 6.2513 6.7281 6.7281 14.5371 14.5371 16.1394 16.1394 16.7446 16.7446 17.4303 17.4303 17.7448 17.7448 18.7027 18.7027 19.1426 19.1426 19.4897 19.4897 k = 0.3269-0.2823-0.0000 ( 5260 PWs) bands (ev): -12.9143 -12.9143 -8.6216 -8.6216 -7.9638 -7.9638 -2.9948 -2.9948 -2.0370 -2.0370 1.2020 1.2020 4.9566 4.9566 5.2958 5.2958 5.9321 5.9321 6.2494 6.2494 6.7208 6.7208 14.4947 14.4947 16.1828 16.1828 16.7570 16.7570 17.4487 17.4487 17.7418 17.7418 18.7428 18.7428 19.1882 19.1882 19.5349 19.5349 k = 0.3365-0.2906-0.0000 ( 5258 PWs) bands (ev): -12.9059 -12.9059 -8.6250 -8.6250 -7.9679 -7.9679 -3.0101 -3.0101 -2.0461 -2.0461 1.1998 1.1998 4.9663 4.9663 5.3170 5.3170 5.9266 5.9266 6.2472 6.2472 6.7126 6.7126 14.4536 14.4536 16.2261 16.2261 16.7697 16.7697 17.4709 17.4709 17.7420 17.7420 18.7641 18.7641 19.2501 19.2501 19.5451 19.5451 k = 0.3462-0.2990-0.0000 ( 5258 PWs) bands (ev): -12.8977 -12.8977 -8.6282 -8.6282 -7.9718 -7.9718 -3.0250 -3.0250 -2.0548 -2.0548 1.1977 1.1977 4.9766 4.9766 5.3388 5.3388 5.9203 5.9203 6.2446 6.2446 6.7034 6.7034 14.4141 14.4141 16.2689 16.2689 16.7824 16.7824 17.4971 17.4971 17.7454 17.7454 18.7692 18.7692 19.3241 19.3241 19.5366 19.5366 k = 0.3558-0.3073-0.0000 ( 5260 PWs) bands (ev): -12.8898 -12.8898 -8.6314 -8.6314 -7.9755 -7.9755 -3.0395 -3.0395 -2.0630 -2.0630 1.1956 1.1956 4.9874 4.9874 5.3610 5.3610 5.9131 5.9131 6.2420 6.2420 6.6933 6.6933 14.3763 14.3763 16.3109 16.3109 16.7951 16.7951 17.5275 17.5275 17.7519 17.7519 18.7621 18.7621 19.4005 19.4005 19.5237 19.5237 k = 0.3654-0.3156-0.0000 ( 5260 PWs) bands (ev): -12.8822 -12.8822 -8.6343 -8.6343 -7.9790 -7.9790 -3.0536 -3.0536 -2.0708 -2.0708 1.1936 1.1936 4.9986 4.9986 5.3835 5.3835 5.9052 5.9052 6.2392 6.2392 6.6826 6.6826 14.3403 14.3403 16.3518 16.3518 16.8077 16.8077 17.5624 17.5624 17.7616 17.7616 18.7459 18.7459 19.4408 19.4408 19.5441 19.5441 k = 0.3750-0.3239-0.0000 ( 5256 PWs) bands (ev): -12.8751 -12.8751 -8.6372 -8.6372 -7.9823 -7.9823 -3.0670 -3.0670 -2.0781 -2.0781 1.1918 1.1918 5.0100 5.0100 5.4063 5.4063 5.8964 5.8964 6.2364 6.2364 6.6712 6.6712 14.3064 14.3064 16.3912 16.3912 16.8203 16.8203 17.6017 17.6017 17.7744 17.7744 18.7231 18.7231 19.4192 19.4192 19.6216 19.6216 k = 0.3846-0.3322-0.0000 ( 5266 PWs) bands (ev): -12.8683 -12.8683 -8.6398 -8.6398 -7.9853 -7.9853 -3.0798 -3.0798 -2.0849 -2.0849 1.1900 1.1900 5.0216 5.0216 5.4293 5.4293 5.8868 5.8868 6.2337 6.2337 6.6593 6.6593 14.2746 14.2746 16.4288 16.4288 16.8326 16.8326 17.6454 17.6454 17.7902 17.7902 18.6952 18.6952 19.3773 19.3773 19.7129 19.7129 k = 0.3942-0.3405-0.0000 ( 5266 PWs) bands (ev): -12.8620 -12.8620 -8.6423 -8.6423 -7.9882 -7.9882 -3.0919 -3.0919 -2.0911 -2.0911 1.1883 1.1883 5.0331 5.0331 5.4524 5.4524 5.8763 5.8763 6.2312 6.2312 6.6472 6.6472 14.2451 14.2451 16.4644 16.4644 16.8448 16.8448 17.6934 17.6934 17.8091 17.8091 18.6632 18.6632 19.3262 19.3262 19.8056 19.8056 k = 0.4038-0.3488-0.0000 ( 5262 PWs) bands (ev): -12.8561 -12.8561 -8.6446 -8.6446 -7.9908 -7.9908 -3.1031 -3.1031 -2.0969 -2.0969 1.1868 1.1868 5.0445 5.0445 5.4755 5.4755 5.8650 5.8650 6.2290 6.2290 6.6349 6.6349 14.2179 14.2179 16.4976 16.4976 16.8567 16.8567 17.7457 17.7457 17.8309 17.8309 18.6279 18.6279 19.2682 19.2682 19.8956 19.8956 k = 0.4135-0.3571-0.0000 ( 5268 PWs) bands (ev): -12.8508 -12.8508 -8.6467 -8.6467 -7.9931 -7.9931 -3.1136 -3.1136 -2.1021 -2.1021 1.1854 1.1854 5.0555 5.0555 5.4985 5.4985 5.8528 5.8528 6.2271 6.2271 6.6226 6.6226 14.1931 14.1931 16.5281 16.5281 16.8682 16.8682 17.8020 17.8020 17.8557 17.8557 18.5898 18.5898 19.2045 19.2045 19.9798 19.9798 k = 0.4231-0.3654-0.0000 ( 5268 PWs) bands (ev): -12.8459 -12.8459 -8.6486 -8.6486 -7.9952 -7.9952 -3.1230 -3.1230 -2.1068 -2.1068 1.1842 1.1842 5.0660 5.0660 5.5213 5.5213 5.8399 5.8399 6.2255 6.2255 6.6107 6.6107 14.1708 14.1708 16.5557 16.5557 16.8793 16.8793 17.8614 17.8614 17.8839 17.8839 18.5495 18.5495 19.1358 19.1358 20.0549 20.0549 k = 0.4327-0.3737-0.0000 ( 5268 PWs) bands (ev): -12.8415 -12.8415 -8.6503 -8.6503 -7.9971 -7.9971 -3.1316 -3.1316 -2.1110 -2.1110 1.1831 1.1831 5.0757 5.0757 5.5438 5.5438 5.8262 5.8262 6.2244 6.2244 6.5992 6.5992 14.1510 14.1510 16.5803 16.5803 16.8898 16.8898 17.9103 17.9103 17.9287 17.9287 18.5074 18.5074 19.0631 19.0631 20.1176 20.1176 k = 0.4423-0.3820-0.0000 ( 5270 PWs) bands (ev): -12.8377 -12.8377 -8.6518 -8.6518 -7.9988 -7.9988 -3.1391 -3.1391 -2.1146 -2.1146 1.1821 1.1821 5.0846 5.0846 5.5659 5.5659 5.8118 5.8118 6.2235 6.2235 6.5886 6.5886 14.1338 14.1338 16.6015 16.6015 16.8996 16.8996 17.9439 17.9439 17.9946 17.9946 18.4640 18.4640 18.9871 18.9871 20.1663 20.1663 k = 0.4519-0.3903-0.0000 ( 5270 PWs) bands (ev): -12.8345 -12.8345 -8.6531 -8.6531 -8.0001 -8.0001 -3.1455 -3.1455 -2.1176 -2.1176 1.1812 1.1812 5.0925 5.0925 5.5873 5.5873 5.7968 5.7968 6.2230 6.2230 6.5790 6.5790 14.1191 14.1191 16.6195 16.6195 16.9085 16.9085 17.9788 17.9788 18.0641 18.0641 18.4198 18.4198 18.9089 18.9089 20.2018 20.2018 k = 0.4615-0.3986-0.0000 ( 5270 PWs) bands (ev): -12.8318 -12.8318 -8.6541 -8.6541 -8.0013 -8.0013 -3.1508 -3.1508 -2.1202 -2.1202 1.1805 1.1805 5.0992 5.0992 5.6080 5.6080 5.7815 5.7815 6.2227 6.2227 6.5707 6.5707 14.1071 14.1071 16.6341 16.6341 16.9161 16.9161 18.0154 18.0154 18.1357 18.1357 18.3753 18.3753 18.8296 18.8296 20.2268 20.2268 k = 0.4712-0.4069-0.0000 ( 5268 PWs) bands (ev): -12.8297 -12.8297 -8.6549 -8.6549 -8.0022 -8.0022 -3.1549 -3.1549 -2.1221 -2.1221 1.1800 1.1800 5.1045 5.1045 5.6274 5.6274 5.7663 5.7663 6.2227 6.2227 6.5640 6.5640 14.0977 14.0977 16.6454 16.6454 16.9224 16.9224 18.0535 18.0535 18.2074 18.2074 18.3317 18.3317 18.7507 18.7507 20.2440 20.2440 k = 0.4808-0.4152-0.0000 ( 5266 PWs) bands (ev): -12.8282 -12.8282 -8.6555 -8.6555 -8.0028 -8.0028 -3.1579 -3.1579 -2.1235 -2.1235 1.1796 1.1796 5.1085 5.1085 5.6447 5.6447 5.7520 5.7520 6.2227 6.2227 6.5590 6.5590 14.0910 14.0910 16.6535 16.6535 16.9271 16.9271 18.0922 18.0922 18.2666 18.2666 18.2999 18.2999 18.6752 18.6752 20.2551 20.2551 k = 0.4904-0.4235-0.0000 ( 5264 PWs) bands (ev): -12.8273 -12.8273 -8.6558 -8.6558 -8.0032 -8.0032 -3.1597 -3.1597 -2.1243 -2.1243 1.1794 1.1794 5.1108 5.1108 5.6580 5.6580 5.7405 5.7405 6.2227 6.2227 6.5559 6.5559 14.0870 14.0870 16.6583 16.6583 16.9300 16.9300 18.1286 18.1286 18.2437 18.2437 18.3451 18.3451 18.6107 18.6107 20.2615 20.2615 k = 0.5000-0.4318-0.0000 ( 5268 PWs) bands (ev): -12.8270 -12.8270 -8.6560 -8.6560 -8.0033 -8.0033 -3.1603 -3.1603 -2.1246 -2.1246 1.1793 1.1793 5.1116 5.1116 5.6633 5.6633 5.7357 5.7357 6.2227 6.2227 6.5549 6.5549 14.0856 14.0856 16.6599 16.6599 16.9310 16.9310 18.1486 18.1486 18.2237 18.2237 18.3732 18.3732 18.5809 18.5809 20.2636 20.2636 k = 0.5000-0.4318-0.0000 ( 5268 PWs) bands (ev): -12.8270 -12.8270 -8.6560 -8.6560 -8.0033 -8.0033 -3.1603 -3.1603 -2.1246 -2.1246 1.1793 1.1793 5.1116 5.1116 5.6633 5.6633 5.7357 5.7357 6.2227 6.2227 6.5549 6.5549 14.0856 14.0856 16.6599 16.6599 16.9310 16.9310 18.1486 18.1486 18.2237 18.2237 18.3732 18.3732 18.5809 18.5809 20.2636 20.2636 k = 0.5019-0.4297-0.0125 ( 5268 PWs) bands (ev): -12.8267 -12.8267 -8.6607 -8.6607 -7.9978 -7.9978 -3.1602 -3.1602 -2.1251 -2.1251 1.1754 1.1754 5.1023 5.1023 5.6389 5.6389 5.7632 5.7632 6.2259 6.2259 6.5635 6.5635 14.0886 14.0886 16.6586 16.6586 16.9296 16.9296 18.1375 18.1375 18.2245 18.2245 18.3726 18.3726 18.5921 18.5921 20.2547 20.2547 k = 0.5037-0.4275-0.0250 ( 5262 PWs) bands (ev): -12.8259 -12.8259 -8.6745 -8.6745 -7.9817 -7.9817 -3.1599 -3.1599 -2.1264 -2.1264 1.1637 1.1637 5.0758 5.0758 5.5957 5.5957 5.8148 5.8148 6.2358 6.2358 6.5885 6.5885 14.0973 14.0973 16.6549 16.6549 16.9258 16.9258 18.1077 18.1077 18.2265 18.2265 18.3708 18.3708 18.6229 18.6229 20.2295 20.2295 k = 0.5056-0.4253-0.0375 ( 5264 PWs) bands (ev): -12.8246 -12.8246 -8.6963 -8.6963 -7.9563 -7.9563 -3.1593 -3.1593 -2.1286 -2.1286 1.1442 1.1442 5.0353 5.0353 5.5471 5.5471 5.8753 5.8753 6.2532 6.2532 6.6275 6.6275 14.1119 14.1119 16.6487 16.6487 16.9193 16.9193 18.0652 18.0652 18.2294 18.2294 18.3679 18.3679 18.6668 18.6668 20.1916 20.1916 k = 0.5075-0.4232-0.0501 ( 5254 PWs) bands (ev): -12.8226 -12.8226 -8.7244 -8.7244 -7.9229 -7.9229 -3.1586 -3.1586 -2.1317 -2.1317 1.1173 1.1173 4.9847 4.9847 5.4941 5.4941 5.9417 5.9417 6.2787 6.2787 6.6779 6.6779 14.1322 14.1322 16.6401 16.6401 16.9105 16.9105 18.0153 18.0153 18.2327 18.2327 18.3638 18.3638 18.7181 18.7181 20.1441 20.1441 k = 0.5093-0.4210-0.0626 ( 5260 PWs) bands (ev): -12.8202 -12.8202 -8.7574 -8.7574 -7.8832 -7.8832 -3.1577 -3.1577 -2.1356 -2.1356 1.0832 1.0832 4.9271 4.9271 5.4370 5.4370 6.0127 6.0127 6.3125 6.3125 6.7370 6.7370 14.1581 14.1581 16.6290 16.6290 16.8992 16.8992 17.9614 17.9614 18.2360 18.2360 18.3585 18.3585 18.7728 18.7728 20.0896 20.0896 k = 0.5112-0.4188-0.0751 ( 5258 PWs) bands (ev): -12.8173 -12.8173 -8.7941 -8.7941 -7.8383 -7.8383 -3.1566 -3.1566 -2.1402 -2.1402 1.0423 1.0423 4.8649 4.8649 5.3763 5.3763 6.0872 6.0872 6.3544 6.3544 6.8028 6.8028 14.1896 14.1896 16.6155 16.6155 16.8856 16.8856 17.9055 17.9055 18.2381 18.2381 18.3524 18.3524 18.8277 18.8277 20.0297 20.0297 k = 0.5131-0.4167-0.0876 ( 5265 PWs) bands (ev): -12.8138 -12.8138 -8.8334 -8.8334 -7.7892 -7.7892 -3.1553 -3.1553 -2.1455 -2.1455 0.9948 0.9948 4.7998 4.7998 5.3128 5.3128 6.1644 6.1644 6.4040 6.4040 6.8737 6.8737 14.2265 14.2265 16.5996 16.5996 16.8697 16.8697 17.8489 17.8489 18.2377 18.2377 18.3462 18.3462 18.8799 18.8799 19.9665 19.9665 k = 0.5149-0.4145-0.1001 ( 5259 PWs) bands (ev): -12.8098 -12.8098 -8.8747 -8.8747 -7.7367 -7.7367 -3.1540 -3.1540 -2.1515 -2.1515 0.9411 0.9411 4.7331 4.7331 5.2471 5.2471 6.2438 6.2438 6.4607 6.4607 6.9485 6.9485 14.2686 14.2686 16.5814 16.5814 16.8519 16.8519 17.7924 17.7924 18.2325 18.2325 18.3412 18.3412 18.9262 18.9262 19.9034 19.9034 k = 0.5168-0.4123-0.1126 ( 5259 PWs) bands (ev): -12.8054 -12.8054 -8.9172 -8.9172 -7.6814 -7.6814 -3.1525 -3.1525 -2.1580 -2.1580 0.8819 0.8819 4.6656 4.6656 5.1801 5.1801 6.3250 6.3250 6.5238 6.5238 7.0263 7.0263 14.3158 14.3158 16.5610 16.5610 16.8320 16.8320 17.7363 17.7363 18.2204 18.2204 18.3390 18.3390 18.9627 18.9627 19.8456 19.8456 k = 0.5187-0.4102-0.1251 ( 5252 PWs) bands (ev): -12.8004 -12.8004 -8.9607 -8.9607 -7.6237 -7.6237 -3.1509 -3.1509 -2.1650 -2.1650 0.8173 0.8173 4.5978 4.5978 5.1121 5.1121 6.4079 6.4079 6.5924 6.5924 7.1064 7.1064 14.3679 14.3679 16.5383 16.5383 16.8102 16.8102 17.6811 17.6811 18.2000 18.2000 18.3403 18.3403 18.9849 18.9849 19.7990 19.7990 k = 0.5206-0.4080-0.1377 ( 5263 PWs) bands (ev): -12.7950 -12.7950 -9.0047 -9.0047 -7.5639 -7.5639 -3.1493 -3.1493 -2.1724 -2.1724 0.7479 0.7479 4.5303 4.5303 5.0436 5.0436 6.4923 6.4923 6.6659 6.6659 7.1883 7.1883 14.4246 14.4246 16.5134 16.5134 16.7865 16.7865 17.6268 17.6268 18.1713 18.1713 18.3444 18.3444 18.9881 18.9881 19.7697 19.7697 k = 0.5224-0.4059-0.1502 ( 5257 PWs) bands (ev): -12.7892 -12.7892 -9.0491 -9.0491 -7.5021 -7.5021 -3.1477 -3.1477 -2.1800 -2.1800 0.6742 0.6742 4.4632 4.4632 4.9751 4.9751 6.5783 6.5783 6.7435 6.7435 7.2716 7.2716 14.4857 14.4857 16.4863 16.4863 16.7611 16.7611 17.5735 17.5735 18.1347 18.1347 18.3506 18.3506 18.9699 18.9699 19.7613 19.7613 k = 0.5243-0.4037-0.1627 ( 5257 PWs) bands (ev): -12.7830 -12.7830 -9.0936 -9.0936 -7.4387 -7.4387 -3.1460 -3.1460 -2.1879 -2.1879 0.5964 0.5964 4.3970 4.3970 4.9068 4.9068 6.6657 6.6657 6.8247 6.8247 7.3560 7.3560 14.5508 14.5508 16.4570 16.4570 16.7340 16.7340 17.5213 17.5213 18.0910 18.0910 18.3579 18.3579 18.9315 18.9315 19.7735 19.7735 k = 0.5262-0.4015-0.1752 ( 5257 PWs) bands (ev): -12.7763 -12.7763 -9.1382 -9.1382 -7.3737 -7.3737 -3.1444 -3.1444 -2.1959 -2.1959 0.5150 0.5150 4.3317 4.3317 4.8390 4.8390 6.7545 6.7545 6.9088 6.9088 7.4411 7.4411 14.6198 14.6198 16.4257 16.4257 16.7053 16.7053 17.4700 17.4700 18.0407 18.0407 18.3658 18.3658 18.8771 18.8771 19.8028 19.8028 k = 0.5280-0.3994-0.1877 ( 5257 PWs) bands (ev): -12.7693 -12.7693 -9.1827 -9.1827 -7.3072 -7.3072 -3.1429 -3.1429 -2.2039 -2.2039 0.4304 0.4304 4.2677 4.2677 4.7720 4.7720 6.8443 6.8443 6.9956 6.9956 7.5267 7.5267 14.6923 14.6923 16.3923 16.3923 16.6750 16.6750 17.4196 17.4196 17.9843 17.9843 18.3737 18.3737 18.8119 18.8119 19.8442 19.8442 k = 0.5299-0.3972-0.2002 ( 5259 PWs) bands (ev): -12.7620 -12.7620 -9.2270 -9.2270 -7.2394 -7.2394 -3.1415 -3.1415 -2.2119 -2.2119 0.3428 0.3428 4.2049 4.2049 4.7058 4.7058 6.9349 6.9349 7.0849 7.0849 7.6126 7.6126 14.7678 14.7678 16.3569 16.3569 16.6432 16.6432 17.3697 17.3697 17.9225 17.9225 18.3811 18.3811 18.7405 18.7405 19.8935 19.8935 k = 0.5318-0.3950-0.2128 ( 5254 PWs) bands (ev): -12.7543 -12.7543 -9.2710 -9.2710 -7.1702 -7.1702 -3.1403 -3.1403 -2.2196 -2.2196 0.2527 0.2527 4.1435 4.1435 4.6408 4.6408 7.0258 7.0258 7.1764 7.1764 7.6986 7.6986 14.8461 14.8461 16.3195 16.3195 16.6099 16.6099 17.3203 17.3203 17.8557 17.8557 18.3875 18.3875 18.6666 18.6666 19.9465 19.9465 k = 0.5336-0.3929-0.2253 ( 5260 PWs) bands (ev): -12.7464 -12.7464 -9.3147 -9.3147 -7.0997 -7.0997 -3.1392 -3.1392 -2.2271 -2.2271 0.1603 0.1603 4.0836 4.0836 4.5771 4.5771 7.1167 7.1167 7.2702 7.2702 7.7846 7.7846 14.9266 14.9266 16.2803 16.2803 16.5751 16.5751 17.2710 17.2710 17.7847 17.7847 18.3917 18.3917 18.5936 18.5936 19.9970 19.9970 k = 0.5355-0.3907-0.2378 ( 5262 PWs) bands (ev): -12.7382 -12.7382 -9.3581 -9.3581 -7.0280 -7.0280 -3.1382 -3.1382 -2.2343 -2.2343 0.0659 0.0659 4.0253 4.0253 4.5147 4.5147 7.2071 7.2071 7.3663 7.3663 7.8702 7.8702 15.0089 15.0089 16.2393 16.2393 16.5389 16.5389 17.2215 17.2215 17.7098 17.7098 18.3914 18.3914 18.5254 18.5254 20.0301 20.0301 k = 0.5374-0.3885-0.2503 ( 5268 PWs) bands (ev): -12.7298 -12.7298 -9.4010 -9.4010 -6.9551 -6.9551 -3.1375 -3.1375 -2.2410 -2.2410 -0.0302 -0.0302 3.9686 3.9686 4.4539 4.4539 7.2966 7.2966 7.4646 7.4646 7.9554 7.9554 15.0923 15.0923 16.1966 16.1966 16.5015 16.5015 17.1715 17.1715 17.6317 17.6317 18.3791 18.3791 18.4705 18.4705 20.0393 20.0393 k = 0.5392-0.3864-0.2628 ( 5270 PWs) bands (ev): -12.7212 -12.7212 -9.4435 -9.4435 -6.8809 -6.8809 -3.1370 -3.1370 -2.2473 -2.2473 -0.1278 -0.1278 3.9137 3.9137 4.3947 4.3947 7.3851 7.3851 7.5649 7.5649 8.0401 8.0401 15.1761 15.1761 16.1523 16.1523 16.4629 16.4629 17.1206 17.1206 17.5508 17.5508 18.3424 18.3424 18.4418 18.4418 20.0364 20.0364 k = 0.5411-0.3842-0.2753 ( 5278 PWs) bands (ev): -12.7124 -12.7124 -9.4854 -9.4854 -6.8057 -6.8057 -3.1367 -3.1367 -2.2530 -2.2530 -0.2267 -0.2267 3.8605 3.8605 4.3373 4.3373 7.4721 7.4721 7.6672 7.6672 8.1240 8.1240 15.2595 15.2595 16.1067 16.1067 16.4235 16.4235 17.0687 17.0687 17.4676 17.4676 18.2904 18.2904 18.4308 18.4308 20.0275 20.0275 k = 0.5430-0.3821-0.2878 ( 5274 PWs) bands (ev): -12.7035 -12.7035 -9.5269 -9.5269 -6.7292 -6.7292 -3.1366 -3.1366 -2.2582 -2.2582 -0.3267 -0.3267 3.8092 3.8092 4.2819 4.2819 7.5577 7.5577 7.7712 7.7712 8.2069 8.2069 15.3412 15.3412 16.0602 16.0602 16.3835 16.3835 17.0156 17.0156 17.3825 17.3825 18.2372 18.2372 18.4232 18.4232 20.0151 20.0151 k = 0.5448-0.3799-0.3004 ( 5280 PWs) bands (ev): -12.6945 -12.6945 -9.5677 -9.5677 -6.6517 -6.6517 -3.1367 -3.1367 -2.2627 -2.2627 -0.4276 -0.4276 3.7597 3.7597 4.2284 4.2284 7.6416 7.6416 7.8767 7.8767 8.2889 8.2889 15.4195 15.4195 16.0131 16.0131 16.3437 16.3437 16.9611 16.9611 17.2959 17.2959 18.1876 18.1876 18.4141 18.4141 20.0009 20.0009 k = 0.5467-0.3777-0.3129 ( 5284 PWs) bands (ev): -12.6855 -12.6855 -9.6079 -9.6079 -6.5731 -6.5731 -3.1371 -3.1371 -2.2666 -2.2666 -0.5291 -0.5291 3.7121 3.7121 4.1769 4.1769 7.7239 7.7239 7.9834 7.9834 8.3696 8.3696 15.4917 15.4917 15.9667 15.9667 16.3051 16.3051 16.9052 16.9052 17.2081 17.2081 18.1434 18.1434 18.4015 18.4015 19.9867 19.9867 k = 0.5486-0.3756-0.3254 ( 5290 PWs) bands (ev): -12.6764 -12.6764 -9.6475 -9.6475 -6.4934 -6.4934 -3.1376 -3.1376 -2.2699 -2.2699 -0.6312 -0.6312 3.6664 3.6664 4.1277 4.1277 7.8044 7.8044 8.0911 8.0911 8.4489 8.4489 15.5535 15.5535 15.9228 15.9228 16.2696 16.2696 16.8480 16.8480 17.1196 17.1196 18.1052 18.1052 18.3841 18.3841 19.9743 19.9743 k = 0.5505-0.3734-0.3379 ( 5290 PWs) bands (ev): -12.6674 -12.6674 -9.6864 -9.6864 -6.4126 -6.4126 -3.1384 -3.1384 -2.2725 -2.2725 -0.7337 -0.7337 3.6227 3.6227 4.0807 4.0807 7.8831 7.8831 8.1994 8.1994 8.5268 8.5268 15.5979 15.5979 15.8846 15.8846 16.2402 16.2402 16.7898 16.7898 17.0307 17.0307 18.0731 18.0731 18.3611 18.3611 19.9649 19.9649 k = 0.5523-0.3712-0.3504 ( 5291 PWs) bands (ev): -12.6585 -12.6585 -9.7246 -9.7246 -6.3308 -6.3308 -3.1393 -3.1393 -2.2745 -2.2745 -0.8364 -0.8364 3.5810 3.5810 4.0361 4.0361 7.9599 7.9599 8.3082 8.3082 8.6030 8.6030 15.6157 15.6157 15.8558 15.8558 16.2218 16.2218 16.7306 16.7306 16.9420 16.9420 18.0472 18.0472 18.3319 18.3319 19.9599 19.9599 k = 0.5542-0.3691-0.3629 ( 5299 PWs) bands (ev): -12.6496 -12.6496 -9.7620 -9.7620 -6.2479 -6.2479 -3.1403 -3.1403 -2.2758 -2.2758 -0.9392 -0.9392 3.5413 3.5413 3.9938 3.9938 8.0347 8.0347 8.4173 8.4173 8.6775 8.6775 15.6032 15.6032 15.8340 15.8340 16.2196 16.2196 16.6707 16.6707 16.8542 16.8542 18.0272 18.0272 18.2961 18.2961 19.9604 19.9604 k = 0.5561-0.3669-0.3754 ( 5303 PWs) bands (ev): -12.6409 -12.6409 -9.7986 -9.7986 -6.1640 -6.1640 -3.1415 -3.1415 -2.2765 -2.2765 -1.0420 -1.0420 3.5037 3.5037 3.9540 3.9540 8.1075 8.1075 8.5263 8.5263 8.7502 8.7502 15.5673 15.5673 15.8092 15.8092 16.2357 16.2357 16.6101 16.6101 16.7684 16.7684 18.0129 18.0129 18.2536 18.2536 19.9671 19.9671 k = 0.5579-0.3647-0.3880 ( 5304 PWs) bands (ev): -12.6324 -12.6324 -9.8344 -9.8344 -6.0791 -6.0791 -3.1429 -3.1429 -2.2766 -2.2766 -1.1445 -1.1445 3.4681 3.4681 3.9167 3.9167 8.1780 8.1780 8.6351 8.6351 8.8208 8.8208 15.5176 15.5176 15.7741 15.7741 16.2659 16.2659 16.5492 16.5492 16.6862 16.6862 18.0039 18.0039 18.2047 18.2047 19.9808 19.9808 k = 0.5598-0.3626-0.4005 ( 5308 PWs) bands (ev): -12.6241 -12.6241 -9.8693 -9.8693 -5.9933 -5.9933 -3.1444 -3.1444 -2.2762 -2.2762 -1.2467 -1.2467 3.4345 3.4345 3.8820 3.8820 8.2462 8.2462 8.7434 8.7434 8.8893 8.8893 15.4599 15.4599 15.7284 15.7284 16.2997 16.2997 16.4906 16.4906 16.6099 16.6099 17.9993 17.9993 18.1505 18.1505 20.0016 20.0016 k = 0.5617-0.3604-0.4130 ( 5306 PWs) bands (ev): -12.6161 -12.6161 -9.9034 -9.9034 -5.9065 -5.9065 -3.1460 -3.1460 -2.2753 -2.2753 -1.3485 -1.3485 3.4031 3.4031 3.8499 3.8499 8.3119 8.3119 8.8510 8.8510 8.9557 8.9557 15.3974 15.3974 15.6744 15.6744 16.3145 16.3145 16.4489 16.4489 16.5420 16.5420 17.9969 17.9969 18.0936 18.0936 20.0298 20.0298 k = 0.5635-0.3583-0.4255 ( 5311 PWs) bands (ev): -12.6084 -12.6084 -9.9364 -9.9364 -5.8188 -5.8188 -3.1477 -3.1477 -2.2739 -2.2739 -1.4496 -1.4496 3.3738 3.3738 3.8203 3.8203 8.3751 8.3751 8.9575 8.9575 9.0198 9.0198 15.3314 15.3314 15.6142 15.6142 16.2779 16.2779 16.4452 16.4452 16.4903 16.4903 17.9849 17.9849 18.0467 18.0467 20.0651 20.0651 k = 0.5635-0.3583-0.4255 ( 5311 PWs) bands (ev): -12.6084 -12.6084 -9.9364 -9.9364 -5.8188 -5.8188 -3.1477 -3.1477 -2.2739 -2.2739 -1.4496 -1.4496 3.3738 3.3738 3.8203 3.8203 8.3751 8.3751 8.9575 8.9575 9.0198 9.0198 15.3314 15.3314 15.6142 15.6142 16.2779 16.2779 16.4452 16.4452 16.4903 16.4903 17.9849 17.9849 18.0467 18.0467 20.0651 20.0651 k = 0.5693-0.3516-0.4176 ( 5314 PWs) bands (ev): -12.6229 -12.6229 -9.8722 -9.8722 -5.9857 -5.9857 -3.1449 -3.1449 -2.2770 -2.2770 -1.2571 -1.2571 3.4298 3.4298 3.8763 3.8763 8.2550 8.2550 8.7541 8.7541 8.8975 8.8975 15.4590 15.4590 15.7296 15.7296 16.3546 16.3546 16.4561 16.4561 16.5876 16.5876 18.0391 18.0391 18.1052 18.1052 19.9935 19.9935 k = 0.5751-0.3449-0.4096 ( 5308 PWs) bands (ev): -12.6375 -12.6375 -9.8037 -9.8037 -6.1506 -6.1506 -3.1433 -3.1433 -2.2801 -2.2801 -1.0640 -1.0640 3.4903 3.4903 3.9367 3.9367 8.1308 8.1308 8.5482 8.5482 8.7715 8.7715 15.5818 15.5818 15.8314 15.8314 16.3902 16.3902 16.4868 16.4868 16.7326 16.7326 18.0940 18.0940 18.1651 18.1651 19.9284 19.9284 k = 0.5809-0.3382-0.4017 ( 5308 PWs) bands (ev): -12.6520 -12.6520 -9.7311 -9.7311 -6.3133 -6.3133 -3.1425 -3.1425 -2.2832 -2.2832 -0.8712 -0.8712 3.5553 3.5553 4.0014 4.0014 8.0032 8.0032 8.3413 8.3413 8.6425 8.6425 15.6932 15.6932 15.9111 15.9111 16.4269 16.4269 16.5451 16.5451 16.8860 16.8860 18.1488 18.1488 18.2256 18.2256 19.8721 19.8721 k = 0.5866-0.3315-0.3937 ( 5320 PWs) bands (ev): -12.6664 -12.6664 -9.6548 -9.6548 -6.4736 -6.4736 -3.1422 -3.1422 -2.2861 -2.2861 -0.6795 -0.6795 3.6245 3.6245 4.0702 4.0702 7.8729 7.8729 8.1347 8.1347 8.5112 8.5112 15.7855 15.7855 15.9637 15.9637 16.4824 16.4824 16.6351 16.6351 17.0333 17.0333 18.2027 18.2027 18.2861 18.2861 19.8270 19.8270 k = 0.5924-0.3248-0.3858 ( 5323 PWs) bands (ev): -12.6803 -12.6803 -9.5748 -9.5748 -6.6313 -6.6313 -3.1423 -3.1423 -2.2888 -2.2888 -0.4898 -0.4898 3.6979 3.6979 4.1430 4.1430 7.7405 7.7405 7.9298 7.9298 8.3783 8.3783 15.8531 15.8531 15.9923 15.9923 16.5645 16.5645 16.7531 16.7531 17.1681 17.1681 18.2547 18.2547 18.3457 18.3457 19.7960 19.7960 k = 0.5982-0.3181-0.3778 ( 5293 PWs) bands (ev): -12.6938 -12.6938 -9.4915 -9.4915 -6.7863 -6.7863 -3.1424 -3.1424 -2.2912 -2.2912 -0.3030 -0.3030 3.7755 3.7755 4.2197 4.2197 7.6064 7.6064 7.7282 7.7282 8.2444 8.2444 15.8958 15.8958 16.0036 16.0036 16.6736 16.6736 16.8915 16.8915 17.2857 17.2857 18.3040 18.3040 18.4034 18.4034 19.7818 19.7818 k = 0.6040-0.3114-0.3699 ( 5287 PWs) bands (ev): -12.7066 -12.7066 -9.4052 -9.4052 -6.9384 -6.9384 -3.1427 -3.1427 -2.2933 -2.2933 -0.1200 -0.1200 3.8571 3.8571 4.3001 4.3001 7.4702 7.4702 7.5320 7.5320 8.1100 8.1100 15.9185 15.9185 16.0040 16.0040 16.8039 16.8039 17.0432 17.0432 17.3824 17.3824 18.3493 18.3493 18.4579 18.4579 19.7863 19.7863 k = 0.6097-0.3047-0.3620 ( 5293 PWs) bands (ev): -12.7188 -12.7188 -9.3162 -9.3162 -7.0872 -7.0872 -3.1428 -3.1428 -2.2951 -2.2951 0.0577 0.0577 3.9427 3.9427 4.3840 4.3840 7.3240 7.3240 7.3511 7.3511 7.9756 7.9756 15.9273 15.9273 15.9976 15.9976 16.9482 16.9482 17.2028 17.2028 17.4554 17.4554 18.3898 18.3898 18.5077 18.5077 19.8101 19.8101 k = 0.6155-0.2981-0.3540 ( 5299 PWs) bands (ev): -12.7302 -12.7302 -9.2249 -9.2249 -7.2324 -7.2324 -3.1428 -3.1428 -2.2965 -2.2965 0.2291 0.2291 4.0320 4.0320 4.4713 4.4713 7.1487 7.1487 7.2064 7.2064 7.8416 7.8416 15.9271 15.9271 15.9871 15.9871 17.1001 17.1001 17.3665 17.3665 17.5037 17.5037 18.4245 18.4245 18.5509 18.5509 19.8530 19.8530 k = 0.6213-0.2914-0.3461 ( 5293 PWs) bands (ev): -12.7407 -12.7407 -9.1319 -9.1319 -7.3733 -7.3733 -3.1425 -3.1425 -2.2973 -2.2973 0.3925 0.3925 4.1250 4.1250 4.5616 4.5616 6.9746 6.9746 7.0701 7.0701 7.7086 7.7086 15.9211 15.9211 15.9741 15.9741 17.2541 17.2541 17.5277 17.5277 17.5312 17.5312 18.4526 18.4526 18.5855 18.5855 19.9113 19.9113 k = 0.6271-0.2847-0.3381 ( 5281 PWs) bands (ev): -12.7502 -12.7502 -9.0381 -9.0381 -7.5093 -7.5093 -3.1419 -3.1419 -2.2977 -2.2977 0.5463 0.5463 4.2216 4.2216 4.6548 4.6548 6.8105 6.8105 6.9352 6.9352 7.5770 7.5770 15.9113 15.9113 15.9596 15.9596 17.4042 17.4042 17.5296 17.5296 17.6937 17.6937 18.4743 18.4743 18.6093 18.6093 19.9711 19.9711 k = 0.6271-0.2847-0.3381 ( 5281 PWs) bands (ev): -12.7502 -12.7502 -9.0381 -9.0381 -7.5093 -7.5093 -3.1419 -3.1419 -2.2977 -2.2977 0.5463 0.5463 4.2216 4.2216 4.6548 4.6548 6.8105 6.8105 6.9352 6.9352 7.5770 7.5770 15.9113 15.9113 15.9596 15.9596 17.4042 17.4042 17.5296 17.5296 17.6937 17.6937 18.4743 18.4743 18.6093 18.6093 19.9711 19.9711 k = 0.6242-0.2767-0.3287 ( 5280 PWs) bands (ev): -12.7572 -12.7572 -8.9641 -8.9641 -7.6126 -7.6126 -3.1411 -3.1411 -2.2974 -2.2974 0.6601 0.6601 4.3008 4.3008 4.7310 4.7310 6.6892 6.6892 6.8287 6.8287 7.4736 7.4736 15.8854 15.8854 15.9618 15.9618 17.5041 17.5041 17.5297 17.5297 17.8176 17.8176 18.4851 18.4851 18.6223 18.6223 19.9618 19.9618 k = 0.6214-0.2688-0.3192 ( 5284 PWs) bands (ev): -12.7637 -12.7637 -8.8917 -8.8917 -7.7106 -7.7106 -3.1400 -3.1400 -2.2964 -2.2964 0.7657 0.7657 4.3820 4.3820 4.8098 4.8098 6.5772 6.5772 6.7223 6.7223 7.3711 7.3711 15.8451 15.8451 15.9739 15.9739 17.4951 17.4951 17.6173 17.6173 17.9326 17.9326 18.4886 18.4886 18.6348 18.6348 19.9243 19.9243 k = 0.6186-0.2608-0.3098 ( 5283 PWs) bands (ev): -12.7696 -12.7696 -8.8226 -8.8226 -7.8015 -7.8015 -3.1386 -3.1386 -2.2946 -2.2946 0.8617 0.8617 4.4650 4.4650 4.8909 4.8909 6.4756 6.4756 6.6163 6.6163 7.2700 7.2700 15.8015 15.8015 15.9853 15.9853 17.4691 17.4691 17.6950 17.6950 18.0346 18.0346 18.4856 18.4856 18.6531 18.6531 19.8905 19.8905 k = 0.6158-0.2528-0.3003 ( 5279 PWs) bands (ev): -12.7750 -12.7750 -8.7597 -8.7597 -7.8825 -7.8825 -3.1368 -3.1368 -2.2919 -2.2919 0.9470 0.9470 4.5495 4.5495 4.9742 4.9742 6.3855 6.3855 6.5109 6.5109 7.1707 7.1707 15.7569 15.7569 15.9943 15.9943 17.4375 17.4375 17.7450 17.7450 18.1187 18.1187 18.4758 18.4758 18.6877 18.6877 19.8624 19.8624 k = 0.6129-0.2449-0.2908 ( 5272 PWs) bands (ev): -12.7799 -12.7799 -8.7075 -8.7075 -7.9491 -7.9491 -3.1347 -3.1347 -2.2885 -2.2885 1.0203 1.0203 4.6352 4.6352 5.0591 5.0591 6.3074 6.3074 6.4070 6.4070 7.0737 7.0737 15.7120 15.7120 16.0003 16.0003 17.4015 17.4015 17.7605 17.7605 18.1793 18.1793 18.4633 18.4633 18.7453 18.7453 19.8395 19.8395 k = 0.6101-0.2369-0.2814 ( 5268 PWs) bands (ev): -12.7842 -12.7842 -8.6727 -8.6727 -7.9945 -7.9945 -3.1321 -3.1321 -2.2842 -2.2842 1.0804 1.0804 4.7219 4.7219 5.1454 5.1454 6.2395 6.2395 6.3082 6.3082 6.9799 6.9799 15.6672 15.6672 16.0033 16.0033 17.3620 17.3620 17.7401 17.7401 18.2071 18.2071 18.4610 18.4610 18.8228 18.8228 19.8212 19.8212 k = 0.6073-0.2290-0.2719 ( 5261 PWs) bands (ev): -12.7880 -12.7880 -8.6624 -8.6624 -8.0118 -8.0118 -3.1291 -3.1291 -2.2791 -2.2791 1.1262 1.1262 4.8090 4.8090 5.2322 5.2322 6.1669 6.1669 6.2303 6.2303 6.8899 6.8899 15.6226 15.6226 16.0031 16.0031 17.3192 17.3192 17.6881 17.6881 18.1953 18.1953 18.4800 18.4800 18.9106 18.9106 19.8084 19.8084 k = 0.6045-0.2210-0.2625 ( 5259 PWs) bands (ev): -12.7912 -12.7912 -8.6797 -8.6797 -7.9977 -7.9977 -3.1257 -3.1257 -2.2732 -2.2732 1.1568 1.1568 4.8962 4.8962 5.3184 5.3184 6.0743 6.0743 6.1902 6.1902 6.8053 6.8053 15.5782 15.5782 15.9999 15.9999 17.2733 17.2733 17.6110 17.6110 18.1535 18.1535 18.5138 18.5138 18.9969 18.9969 19.8053 19.8053 k = 0.6017-0.2130-0.2530 ( 5261 PWs) bands (ev): -12.7939 -12.7939 -8.7208 -8.7208 -7.9562 -7.9562 -3.1219 -3.1219 -2.2664 -2.2664 1.1715 1.1715 4.9828 4.9828 5.4025 5.4025 5.9749 5.9749 6.1757 6.1757 6.7275 6.7275 15.5341 15.5341 15.9935 15.9935 17.2239 17.2239 17.5153 17.5153 18.0956 18.0956 18.5506 18.5506 19.0693 19.0693 19.8187 19.8187 k = 0.5988-0.2051-0.2436 ( 5255 PWs) bands (ev): -12.7960 -12.7960 -8.7784 -8.7784 -7.8943 -7.8943 -3.1176 -3.1176 -2.2588 -2.2588 1.1702 1.1702 5.0679 5.0679 5.4816 5.4816 5.8764 5.8764 6.1810 6.1810 6.6591 6.6591 15.4901 15.4901 15.9841 15.9841 17.1702 17.1702 17.4066 17.4066 18.0303 18.0303 18.5841 18.5841 19.1160 19.1160 19.8563 19.8563 k = 0.5960-0.1971-0.2341 ( 5253 PWs) bands (ev): -12.7976 -12.7976 -8.8461 -8.8461 -7.8187 -7.8187 -3.1129 -3.1129 -2.2505 -2.2505 1.1528 1.1528 5.1498 5.1498 5.5492 5.5492 5.7849 5.7849 6.2045 6.2045 6.6035 6.6035 15.4460 15.4460 15.9717 15.9717 17.1106 17.1106 17.2902 17.2902 17.9621 17.9621 18.6117 18.6117 19.1307 19.1307 19.9082 19.9082 k = 0.5932-0.1892-0.2247 ( 5253 PWs) bands (ev): -12.7986 -12.7986 -8.9193 -8.9193 -7.7337 -7.7337 -3.1077 -3.1077 -2.2414 -2.2414 1.1197 1.1197 5.2260 5.2260 5.5795 5.5795 5.7252 5.7252 6.2449 6.2449 6.5652 6.5652 15.4014 15.4014 15.9564 15.9564 17.0413 17.0413 17.1728 17.1728 17.8938 17.8938 18.6327 18.6327 19.1153 19.1153 19.8757 19.8757 k = 0.5904-0.1812-0.2152 ( 5259 PWs) bands (ev): -12.7991 -12.7991 -8.9955 -8.9955 -7.6420 -7.6420 -3.1020 -3.1020 -2.2315 -2.2315 1.0715 1.0715 5.2911 5.2911 5.5314 5.5314 5.7395 5.7395 6.3002 6.3002 6.5498 6.5498 15.3557 15.3557 15.9382 15.9382 16.9542 16.9542 17.0647 17.0647 17.8275 17.8275 18.6470 18.6470 19.0769 19.0769 19.7918 19.7918 k = 0.5875-0.1732-0.2057 ( 5267 PWs) bands (ev): -12.7991 -12.7991 -9.0729 -9.0729 -7.5454 -7.5454 -3.0959 -3.0959 -2.2210 -2.2210 1.0094 1.0094 5.3305 5.3305 5.4595 5.4595 5.7842 5.7842 6.3681 6.3681 6.5621 6.5621 15.3083 15.3083 15.9171 15.9171 16.8445 16.8445 16.9732 16.9732 17.7645 17.7645 18.6546 18.6546 19.0222 19.0222 19.6951 19.6951 k = 0.5847-0.1653-0.1963 ( 5271 PWs) bands (ev): -12.7985 -12.7985 -9.1504 -9.1504 -7.4449 -7.4449 -3.0893 -3.0893 -2.2098 -2.2098 0.9344 0.9344 5.3011 5.3011 5.4299 5.4299 5.8356 5.8356 6.4459 6.4459 6.6044 6.6044 15.2583 15.2583 15.8930 15.8930 16.7220 16.7220 16.8908 16.8908 17.7056 17.7056 18.6554 18.6554 18.9564 18.9564 19.5922 19.5922 k = 0.5819-0.1573-0.1868 ( 5265 PWs) bands (ev): -12.7974 -12.7974 -9.2273 -9.2273 -7.3412 -7.3412 -3.0823 -3.0823 -2.1981 -2.1981 0.8476 0.8476 5.2184 5.2184 5.4281 5.4281 5.8948 5.8948 6.5324 6.5324 6.6745 6.6745 15.2047 15.2047 15.8658 15.8658 16.5969 16.5969 16.8100 16.8100 17.6513 17.6513 18.6484 18.6484 18.8827 18.8827 19.4870 19.4870 k = 0.5791-0.1493-0.1774 ( 5267 PWs) bands (ev): -12.7959 -12.7959 -9.3032 -9.3032 -7.2347 -7.2347 -3.0748 -3.0748 -2.1858 -2.1858 0.7504 0.7504 5.1252 5.1252 5.4134 5.4134 5.9645 5.9645 6.6275 6.6275 6.7665 6.7665 15.1461 15.1461 15.8352 15.8352 16.4748 16.4748 16.7280 16.7280 17.6015 17.6015 18.6320 18.6320 18.8035 18.8035 19.3832 19.3832 k = 0.5762-0.1414-0.1679 ( 5269 PWs) bands (ev): -12.7939 -12.7939 -9.3778 -9.3778 -7.1257 -7.1257 -3.0670 -3.0670 -2.1730 -2.1730 0.6440 0.6440 5.0300 5.0300 5.3824 5.3824 6.0439 6.0439 6.7310 6.7310 6.8746 6.8746 15.0810 15.0810 15.8011 15.8011 16.3590 16.3590 16.6448 16.6448 17.5562 17.5562 18.6033 18.6033 18.7202 18.7202 19.2852 19.2852 k = 0.5734-0.1334-0.1585 ( 5271 PWs) bands (ev): -12.7915 -12.7915 -9.4508 -9.4508 -7.0144 -7.0144 -3.0588 -3.0588 -2.1597 -2.1597 0.5295 0.5295 4.9350 4.9350 5.3394 5.3394 6.1307 6.1307 6.8422 6.8422 6.9943 6.9943 15.0081 15.0081 15.7630 15.7630 16.2520 16.2520 16.5609 16.5609 17.5149 17.5149 18.5588 18.5588 18.6342 18.6342 19.1980 19.1980 k = 0.5706-0.1255-0.1490 ( 5267 PWs) bands (ev): -12.7886 -12.7886 -9.5220 -9.5220 -6.9011 -6.9011 -3.0502 -3.0502 -2.1461 -2.1461 0.4080 0.4080 4.8408 4.8408 5.2885 5.2885 6.2229 6.2229 6.9594 6.9594 7.1232 7.1232 14.9261 14.9261 15.7207 15.7207 16.1555 16.1555 16.4776 16.4776 17.4772 17.4772 18.4952 18.4952 18.5460 18.5460 19.1263 19.1263 k = 0.5678-0.1175-0.1396 ( 5267 PWs) bands (ev): -12.7853 -12.7853 -9.5914 -9.5914 -6.7858 -6.7858 -3.0414 -3.0414 -2.1322 -2.1322 0.2806 0.2806 4.7481 4.7481 5.2327 5.2327 6.3188 6.3188 7.0811 7.0811 7.2595 7.2595 14.8342 14.8342 15.6739 15.6739 16.0705 16.0705 16.3960 16.3960 17.4425 17.4425 18.4122 18.4122 18.4554 18.4554 19.0723 19.0723 k = 0.5649-0.1095-0.1301 ( 5268 PWs) bands (ev): -12.7817 -12.7817 -9.6587 -9.6587 -6.6687 -6.6687 -3.0324 -3.0324 -2.1181 -2.1181 0.1480 0.1480 4.6570 4.6570 5.1743 5.1743 6.4174 6.4174 7.2060 7.2060 7.4021 7.4021 14.7324 14.7324 15.6225 15.6225 15.9971 15.9971 16.3174 16.3174 17.4103 17.4103 18.3120 18.3120 18.3629 18.3629 19.0350 19.0350 k = 0.5621-0.1016-0.1206 ( 5264 PWs) bands (ev): -12.7777 -12.7777 -9.7239 -9.7239 -6.5498 -6.5498 -3.0232 -3.0232 -2.1038 -2.1038 0.0112 0.0112 4.5678 4.5678 5.1149 5.1149 6.5178 6.5178 7.3328 7.3328 7.5500 7.5500 14.6213 14.6213 15.5660 15.5660 15.9349 15.9349 16.2429 16.2429 17.3802 17.3802 18.1978 18.1978 18.2699 18.2699 19.0115 19.0115 k = 0.5593-0.0936-0.1112 ( 5268 PWs) bands (ev): -12.7734 -12.7734 -9.7868 -9.7868 -6.4292 -6.4292 -3.0140 -3.0140 -2.0895 -2.0895 -0.1291 -0.1291 4.4807 4.4807 5.0553 5.0553 6.6196 6.6196 7.4606 7.4606 7.7024 7.7024 14.5022 14.5022 15.5038 15.5038 15.8832 15.8832 16.1733 16.1733 17.3517 17.3517 18.0739 18.0739 18.1770 18.1770 18.9982 18.9982 k = 0.5565-0.0857-0.1017 ( 5265 PWs) bands (ev): -12.7689 -12.7689 -9.8475 -9.8475 -6.3070 -6.3070 -3.0048 -3.0048 -2.0752 -2.0752 -0.2723 -0.2723 4.3959 4.3959 4.9964 4.9964 6.7221 6.7221 7.5888 7.5888 7.8585 7.8585 14.3767 14.3767 15.4357 15.4357 15.8414 15.8414 16.1086 16.1086 17.3242 17.3242 17.9444 17.9444 18.0844 18.0845 18.9926 18.9926 k = 0.5537-0.0777-0.0923 ( 5273 PWs) bands (ev): -12.7641 -12.7641 -9.9058 -9.9058 -6.1832 -6.1832 -2.9957 -2.9957 -2.0609 -2.0609 -0.4177 -0.4177 4.3137 4.3137 4.9386 4.9386 6.8251 6.8251 7.7167 7.7167 8.0172 8.0172 14.2464 14.2464 15.3615 15.3615 15.8086 15.8086 16.0486 16.0486 17.2970 17.2970 17.8129 17.8129 17.9923 17.9923 18.9928 18.9928 k = 0.5508-0.0697-0.0828 ( 5269 PWs) bands (ev): -12.7591 -12.7591 -9.9617 -9.9617 -6.0580 -6.0580 -2.9869 -2.9869 -2.0469 -2.0469 -0.5648 -0.5648 4.2343 4.2343 4.8826 4.8826 6.9282 6.9282 7.8438 7.8438 8.1779 8.1779 14.1129 14.1129 15.2821 15.2821 15.7836 15.7836 15.9927 15.9927 17.2689 17.2689 17.6827 17.6827 17.9010 17.9010 18.9976 18.9976 k = 0.5480-0.0618-0.0734 ( 5271 PWs) bands (ev): -12.7540 -12.7540 -10.0150 -10.0150 -5.9313 -5.9313 -2.9784 -2.9784 -2.0332 -2.0332 -0.7129 -0.7129 4.1577 4.1577 4.8284 4.8284 7.0309 7.0309 7.9696 7.9696 8.3397 8.3397 13.9777 13.9777 15.1984 15.1984 15.7648 15.7648 15.9403 15.9403 17.2377 17.2377 17.5583 17.5583 17.8105 17.8105 19.0060 19.0060 k = 0.5452-0.0538-0.0639 ( 5265 PWs) bands (ev): -12.7487 -12.7487 -10.0658 -10.0658 -5.8032 -5.8032 -2.9706 -2.9706 -2.0200 -2.0200 -0.8617 -0.8617 4.0843 4.0843 4.7765 4.7765 7.1329 7.1329 8.0935 8.0935 8.5018 8.5018 13.8420 13.8420 15.1116 15.1116 15.7496 15.7496 15.8917 15.8917 17.1983 17.1983 17.4461 17.4461 17.7212 17.7212 19.0176 19.0176 k = 0.5424-0.0459-0.0545 ( 5265 PWs) bands (ev): -12.7435 -12.7435 -10.1140 -10.1140 -5.6738 -5.6738 -2.9636 -2.9636 -2.0074 -2.0074 -1.0104 -1.0104 4.0143 4.0143 4.7269 4.7269 7.2338 7.2338 8.2152 8.2152 8.6632 8.6632 13.7071 13.7071 15.0232 15.0232 15.7330 15.7330 15.8496 15.8496 17.1422 17.1422 17.3565 17.3565 17.6334 17.6334 19.0317 19.0317 k = 0.5395-0.0379-0.0450 ( 5263 PWs) bands (ev): -12.7382 -12.7382 -10.1594 -10.1594 -5.5432 -5.5432 -2.9576 -2.9576 -1.9957 -1.9957 -1.1583 -1.1583 3.9477 3.9477 4.6799 4.6799 7.3332 7.3332 8.3340 8.3340 8.8233 8.8233 13.5739 13.5739 14.9343 14.9343 15.7059 15.7059 15.8211 15.8211 17.0643 17.0643 17.2963 17.2963 17.5473 17.5473 19.0482 19.0482 k = 0.5367-0.0299-0.0355 ( 5258 PWs) bands (ev): -12.7329 -12.7329 -10.2021 -10.2021 -5.4115 -5.4115 -2.9530 -2.9530 -1.9852 -1.9852 -1.3047 -1.3047 3.8848 3.8848 4.6357 4.6357 7.4305 7.4305 8.4494 8.4494 8.9809 8.9809 13.4436 13.4436 14.8460 14.8460 15.6621 15.6621 15.8105 15.8105 16.9735 16.9735 17.2580 17.2580 17.4632 17.4632 19.0665 19.0665 k = 0.5339-0.0220-0.0261 ( 5260 PWs) bands (ev): -12.7278 -12.7278 -10.2419 -10.2419 -5.2787 -5.2787 -2.9503 -2.9503 -1.9767 -1.9767 -1.4482 -1.4482 3.8257 3.8257 4.5943 4.5943 7.5253 7.5253 8.5607 8.5607 9.1352 9.1352 13.3169 13.3169 14.7595 14.7595 15.6051 15.6051 15.8131 15.8131 16.8813 16.8813 17.2314 17.2314 17.3813 17.3813 19.0864 19.0864 k = 0.5311-0.0140-0.0166 ( 5256 PWs) bands (ev): -12.7228 -12.7228 -10.2789 -10.2789 -5.1450 -5.1450 -2.9501 -2.9501 -1.9718 -1.9718 -1.5864 -1.5864 3.7707 3.7707 4.5558 4.5558 7.6168 7.6168 8.6674 8.6674 9.2850 9.2850 13.1950 13.1950 14.6757 14.6757 15.5395 15.5395 15.8233 15.8233 16.7945 16.7945 17.2107 17.2107 17.3024 17.3024 19.1075 19.1075 k = 0.5282-0.0060-0.0072 ( 5251 PWs) bands (ev): -12.7180 -12.7180 -10.3129 -10.3129 -5.0105 -5.0105 -2.9533 -2.9533 -1.9751 -1.9751 -1.7137 -1.7137 3.7198 3.7198 4.5204 4.5204 7.7046 7.7046 8.7688 8.7688 9.4294 9.4294 13.0787 13.0787 14.5956 14.5956 15.4678 15.4678 15.8386 15.8386 16.7161 16.7161 17.1916 17.1916 17.2283 17.2283 19.1295 19.1295 k = 0.5254 0.0019 0.0023 ( 5251 PWs) bands (ev): -12.7134 -12.7134 -10.3439 -10.3439 -4.8755 -4.8755 -2.9609 -2.9609 -2.0011 -2.0011 -1.8143 -1.8143 3.6733 3.6733 4.4881 4.4881 7.7877 7.7877 8.8641 8.8641 9.5668 9.5668 12.9690 12.9690 14.5200 14.5200 15.3919 15.3919 15.8573 15.8573 16.6474 16.6474 17.1470 17.1470 17.1855 17.1855 19.1519 19.1519 k = 0.5226 0.0099 0.0117 ( 5253 PWs) bands (ev): -12.7092 -12.7092 -10.3718 -10.3718 -4.7402 -4.7402 -2.9747 -2.9747 -2.0716 -2.0716 -1.8643 -1.8643 3.6312 3.6312 4.4591 4.4591 7.8656 7.8656 8.9525 8.9525 9.6961 9.6961 12.8668 12.8668 14.4499 14.4499 15.3138 15.3138 15.8786 15.8786 16.5885 16.5885 17.0796 17.0796 17.1712 17.1712 19.1743 19.1743 k = 0.5198 0.0178 0.0212 ( 5253 PWs) bands (ev): -12.7053 -12.7053 -10.3965 -10.3965 -4.6050 -4.6050 -2.9970 -2.9970 -2.1695 -2.1695 -1.8784 -1.8784 3.5938 3.5938 4.4333 4.4333 7.9372 7.9372 9.0333 9.0333 9.8158 9.8158 12.7732 12.7732 14.3860 14.3860 15.2358 15.2358 15.9016 15.9016 16.5390 16.5390 17.0147 17.0147 17.1604 17.1604 19.1962 19.1962 k = 0.5169 0.0258 0.0306 ( 5255 PWs) bands (ev): -12.7019 -12.7019 -10.4181 -10.4181 -4.4705 -4.4705 -3.0305 -3.0305 -2.2676 -2.2676 -1.8805 -1.8805 3.5611 3.5611 4.4108 4.4108 8.0018 8.0018 9.1055 9.1055 9.9242 9.9242 12.6893 12.6893 14.3291 14.3291 15.1605 15.1605 15.9255 15.9255 16.4983 16.4983 16.9546 16.9546 17.1515 17.1515 19.2169 19.2169 k = 0.5141 0.0338 0.0401 ( 5256 PWs) bands (ev): -12.6989 -12.6989 -10.4364 -10.4364 -4.3374 -4.3374 -3.0780 -3.0780 -2.3538 -2.3538 -1.8790 -1.8790 3.5332 3.5332 4.3917 4.3917 8.0584 8.0584 9.1685 9.1685 10.0197 10.0197 12.6159 12.6159 14.2800 14.2800 15.0906 15.0906 15.9492 15.9492 16.4656 16.4656 16.9002 16.9002 17.1441 17.1441 19.2360 19.2360 k = 0.5113 0.0417 0.0496 ( 5254 PWs) bands (ev): -12.6963 -12.6963 -10.4515 -10.4515 -4.2074 -4.2074 -3.1405 -3.1405 -2.4231 -2.4231 -1.8765 -1.8765 3.5103 3.5103 4.3760 4.3760 8.1062 8.1062 9.2213 9.2213 10.1007 10.1007 12.5543 12.5543 14.2391 14.2391 15.0288 15.0288 15.9716 15.9716 16.4399 16.4399 16.8527 16.8527 17.1381 17.1381 19.2527 19.2527 k = 0.5085 0.0497 0.0590 ( 5251 PWs) bands (ev): -12.6943 -12.6943 -10.4633 -10.4633 -4.0829 -4.0829 -3.2158 -3.2158 -2.4740 -2.4740 -1.8741 -1.8741 3.4923 3.4923 4.3638 4.3638 8.1443 8.1443 9.2632 9.2632 10.1656 10.1656 12.5052 12.5052 14.2069 14.2069 14.9775 14.9775 15.9913 15.9913 16.4206 16.4206 16.8135 16.8135 17.1335 17.1335 19.2665 19.2665 k = 0.5056 0.0576 0.0685 ( 5255 PWs) bands (ev): -12.6929 -12.6929 -10.4717 -10.4717 -3.9697 -3.9697 -3.2967 -3.2967 -2.5077 -2.5077 -1.8721 -1.8721 3.4795 3.4795 4.3550 4.3550 8.1721 8.1721 9.2937 9.2937 10.2131 10.2131 12.4695 12.4695 14.1838 14.1838 14.9392 14.9392 16.0070 16.0070 16.4073 16.4073 16.7840 16.7840 17.1303 17.1303 19.2768 19.2768 k = 0.5028 0.0656 0.0779 ( 5261 PWs) bands (ev): -12.6920 -12.6920 -10.4768 -10.4768 -3.8812 -3.8812 -3.3673 -3.3673 -2.5267 -2.5267 -1.8709 -1.8709 3.4718 3.4718 4.3498 4.3498 8.1890 8.1890 9.3122 9.3122 10.2421 10.2421 12.4479 12.4479 14.1698 14.1698 14.9154 14.9154 16.0171 16.0171 16.3994 16.3994 16.7656 16.7656 17.1283 17.1283 19.2832 19.2832 k = 0.5000 0.0736 0.0874 ( 5258 PWs) bands (ev): -12.6917 -12.6917 -10.4784 -10.4784 -3.8447 -3.8447 -3.3980 -3.3980 -2.5328 -2.5328 -1.8705 -1.8705 3.4692 3.4692 4.3480 4.3480 8.1947 8.1947 9.3184 9.3184 10.2518 10.2518 12.4406 12.4406 14.1652 14.1652 14.9073 14.9073 16.0206 16.0206 16.3968 16.3968 16.7593 16.7593 17.1276 17.1276 19.2854 19.2854 k = 0.5000 0.0736 0.0874 ( 5258 PWs) bands (ev): -12.6917 -12.6917 -10.4784 -10.4784 -3.8447 -3.8447 -3.3980 -3.3980 -2.5328 -2.5328 -1.8705 -1.8705 3.4692 3.4692 4.3480 4.3480 8.1947 8.1947 9.3184 9.3184 10.2518 10.2518 12.4406 12.4406 14.1652 14.1652 14.9073 14.9073 16.0206 16.0206 16.3968 16.3968 16.7593 16.7593 17.1276 17.1276 19.2854 19.2854 k = 0.5000 0.0638 0.0956 ( 5260 PWs) bands (ev): -12.6916 -12.6916 -10.4783 -10.4783 -3.8450 -3.8450 -3.3982 -3.3982 -2.5331 -2.5331 -1.8709 -1.8709 3.4691 3.4691 4.3474 4.3474 8.1955 8.1955 9.3187 9.3187 10.2520 10.2520 12.4421 12.4421 14.1656 14.1656 14.9075 14.9075 16.0009 16.0009 16.4186 16.4186 16.7286 16.7286 17.1615 17.1615 19.2863 19.2863 k = 0.5000 0.0541 0.1037 ( 5256 PWs) bands (ev): -12.6911 -12.6911 -10.4778 -10.4778 -3.8458 -3.8458 -3.3989 -3.3989 -2.5339 -2.5339 -1.8723 -1.8723 3.4690 3.4690 4.3457 4.3457 8.1980 8.1980 9.3198 9.3198 10.2524 10.2524 12.4467 12.4467 14.1669 14.1669 14.9080 14.9080 15.9517 15.9517 16.4741 16.4741 16.6573 16.6573 17.2425 17.2425 19.2893 19.2893 k = 0.5000 0.0444 0.1119 ( 5250 PWs) bands (ev): -12.6903 -12.6903 -10.4770 -10.4770 -3.8471 -3.8471 -3.4001 -3.4001 -2.5354 -2.5354 -1.8746 -1.8746 3.4687 3.4687 4.3427 4.3427 8.2022 8.2022 9.3217 9.3217 10.2532 10.2532 12.4542 12.4542 14.1691 14.1691 14.9089 14.9089 15.8884 15.8884 16.5475 16.5475 16.5711 16.5711 17.3450 17.3450 19.2944 19.2944 k = 0.5000 0.0347 0.1201 ( 5248 PWs) bands (ev): -12.6892 -12.6892 -10.4758 -10.4758 -3.8489 -3.8489 -3.4017 -3.4017 -2.5373 -2.5373 -1.8778 -1.8778 3.4684 3.4684 4.3386 4.3386 8.2080 8.2080 9.3242 9.3242 10.2542 10.2542 12.4648 12.4648 14.1721 14.1721 14.9101 14.9101 15.8200 15.8200 16.4798 16.4798 16.6307 16.6307 17.4581 17.4581 19.3016 19.3016 k = 0.5000 0.0250 0.1283 ( 5252 PWs) bands (ev): -12.6877 -12.6877 -10.4744 -10.4744 -3.8513 -3.8513 -3.4037 -3.4037 -2.5399 -2.5399 -1.8819 -1.8819 3.4678 3.4678 4.3333 4.3333 8.2154 8.2154 9.3274 9.3274 10.2555 10.2555 12.4784 12.4784 14.1760 14.1760 14.9116 14.9116 15.7507 15.7507 16.3890 16.3890 16.7180 16.7180 17.5775 17.5775 19.3113 19.3113 k = 0.5000 0.0153 0.1365 ( 5248 PWs) bands (ev): -12.6860 -12.6860 -10.4726 -10.4726 -3.8542 -3.8542 -3.4062 -3.4062 -2.5430 -2.5430 -1.8868 -1.8868 3.4672 3.4672 4.3267 4.3267 8.2245 8.2245 9.3314 9.3314 10.2571 10.2571 12.4949 12.4949 14.1807 14.1807 14.9135 14.9135 15.6829 15.6829 16.3001 16.3001 16.8073 16.8073 17.7011 17.7011 19.3235 19.3235 k = 0.5000 0.0055 0.1447 ( 5254 PWs) bands (ev): -12.6839 -12.6839 -10.4705 -10.4705 -3.8576 -3.8576 -3.4092 -3.4092 -2.5466 -2.5466 -1.8926 -1.8926 3.4663 3.4663 4.3190 4.3190 8.2351 8.2351 9.3360 9.3360 10.2591 10.2591 12.5144 12.5144 14.1862 14.1862 14.9158 14.9158 15.6177 15.6177 16.2143 16.2143 16.8970 16.8970 17.8279 17.8279 19.3385 19.3385 k = 0.5000-0.0042 0.1528 ( 5252 PWs) bands (ev): -12.6816 -12.6816 -10.4681 -10.4681 -3.8614 -3.8614 -3.4126 -3.4126 -2.5507 -2.5507 -1.8991 -1.8991 3.4652 3.4652 4.3101 4.3101 8.2472 8.2472 9.3412 9.3412 10.2613 10.2613 12.5367 12.5367 14.1925 14.1925 14.9183 14.9183 15.5559 15.5559 16.1320 16.1320 16.9859 16.9859 17.9571 17.9571 19.3567 19.3567 k = 0.5000-0.0139 0.1610 ( 5258 PWs) bands (ev): -12.6789 -12.6789 -10.4654 -10.4654 -3.8657 -3.8657 -3.4163 -3.4163 -2.5553 -2.5553 -1.9064 -1.9064 3.4638 3.4638 4.2999 4.2999 8.2609 8.2609 9.3471 9.3471 10.2638 10.2638 12.5619 12.5619 14.1995 14.1995 14.9212 14.9212 15.4981 15.4981 16.0536 16.0536 17.0730 17.0730 18.0882 18.0882 19.3783 19.3783 k = 0.5000-0.0236 0.1692 ( 5268 PWs) bands (ev): -12.6760 -12.6760 -10.4625 -10.4625 -3.8705 -3.8705 -3.4205 -3.4205 -2.5603 -2.5603 -1.9144 -1.9144 3.4622 3.4622 4.2884 4.2884 8.2760 8.2760 9.3536 9.3536 10.2666 10.2666 12.5899 12.5899 14.2072 14.2072 14.9243 14.9243 15.4447 15.4447 15.9796 15.9796 17.1573 17.1573 18.2208 18.2208 19.4036 19.4036 k = 0.5000-0.0333 0.1774 ( 5264 PWs) bands (ev): -12.6729 -12.6729 -10.4592 -10.4592 -3.8756 -3.8756 -3.4250 -3.4250 -2.5658 -2.5658 -1.9230 -1.9230 3.4602 3.4602 4.2758 4.2758 8.2925 8.2925 9.3607 9.3607 10.2697 10.2697 12.6207 12.6207 14.2155 14.2155 14.9278 14.9278 15.3960 15.3960 15.9100 15.9100 17.2381 17.2381 18.3545 18.3545 19.4330 19.4330 k = 0.5000-0.0431 0.1856 ( 5256 PWs) bands (ev): -12.6694 -12.6694 -10.4557 -10.4557 -3.8812 -3.8812 -3.4299 -3.4299 -2.5717 -2.5717 -1.9323 -1.9323 3.4578 3.4578 4.2619 4.2619 8.3104 8.3104 9.3683 9.3683 10.2731 10.2731 12.6541 12.6541 14.2245 14.2245 14.9315 14.9315 15.3523 15.3523 15.8451 15.8451 17.3146 17.3146 18.4888 18.4888 19.4668 19.4668 k = 0.5000-0.0528 0.1938 ( 5264 PWs) bands (ev): -12.6657 -12.6657 -10.4520 -10.4520 -3.8872 -3.8872 -3.4351 -3.4351 -2.5780 -2.5780 -1.9421 -1.9421 3.4550 3.4550 4.2468 4.2468 8.3295 8.3295 9.3765 9.3765 10.2767 10.2767 12.6901 12.6901 14.2340 14.2340 14.9355 14.9355 15.3138 15.3138 15.7849 15.7849 17.3861 17.3861 18.6233 18.6233 19.5050 19.5050 k = 0.5000-0.0625 0.2019 ( 5274 PWs) bands (ev): -12.6618 -12.6618 -10.4480 -10.4480 -3.8935 -3.8935 -3.4407 -3.4407 -2.5846 -2.5846 -1.9524 -1.9524 3.4518 3.4518 4.2304 4.2304 8.3500 8.3500 9.3851 9.3851 10.2806 10.2806 12.7286 12.7286 14.2440 14.2440 14.9397 14.9397 15.2807 15.2807 15.7297 15.7297 17.4521 17.4521 18.7575 18.7575 19.5478 19.5478 k = 0.5000-0.0722 0.2101 ( 5268 PWs) bands (ev): -12.6577 -12.6577 -10.4439 -10.4439 -3.9001 -3.9001 -3.4465 -3.4465 -2.5915 -2.5915 -1.9632 -1.9632 3.4481 3.4481 4.2129 4.2129 8.3716 8.3716 9.3942 9.3942 10.2848 10.2848 12.7696 12.7696 14.2544 14.2544 14.9440 14.9440 15.2533 15.2533 15.6796 15.6796 17.5122 17.5122 18.8909 18.8909 19.5950 19.5950 k = 0.5000-0.0819 0.2183 ( 5268 PWs) bands (ev): -12.6533 -12.6533 -10.4395 -10.4395 -3.9070 -3.9070 -3.4526 -3.4526 -2.5988 -2.5988 -1.9743 -1.9743 3.4438 3.4438 4.1942 4.1942 8.3943 8.3943 9.4038 9.4038 10.2892 10.2892 12.8130 12.8130 14.2653 14.2653 14.9485 14.9485 15.2315 15.2315 15.6346 15.6346 17.5660 17.5660 19.0223 19.0223 19.6457 19.6457 k = 0.5000-0.0917 0.2265 ( 5268 PWs) bands (ev): -12.6488 -12.6488 -10.4349 -10.4349 -3.9142 -3.9142 -3.4589 -3.4589 -2.6063 -2.6063 -1.9858 -1.9858 3.4390 3.4390 4.1743 4.1743 8.4180 8.4180 9.4138 9.4138 10.2938 10.2938 12.8586 12.8586 14.2765 14.2765 14.9531 14.9531 15.2155 15.2155 15.5947 15.5947 17.6136 17.6136 19.1505 19.1505 19.6969 19.6969 k = 0.5000-0.1014 0.2347 ( 5266 PWs) bands (ev): -12.6441 -12.6441 -10.4301 -10.4301 -3.9217 -3.9217 -3.4655 -3.4655 -2.6140 -2.6140 -1.9975 -1.9975 3.4336 3.4336 4.1534 4.1534 8.4427 8.4427 9.4241 9.4241 10.2985 10.2985 12.9064 12.9064 14.2880 14.2880 14.9577 14.9577 15.2054 15.2054 15.5601 15.5601 17.6549 17.6549 19.2721 19.2721 19.7249 19.7249 k = 0.5000-0.1111 0.2428 ( 5266 PWs) bands (ev): -12.6392 -12.6392 -10.4252 -10.4252 -3.9294 -3.9294 -3.4722 -3.4722 -2.6219 -2.6219 -2.0094 -2.0094 3.4275 3.4275 4.1315 4.1315 8.4683 8.4683 9.4348 9.4348 10.3035 10.3035 12.9562 12.9562 14.2997 14.2997 14.9623 14.9623 15.2012 15.2012 15.5308 15.5308 17.6900 17.6900 19.3784 19.3784 19.7072 19.7072 k = 0.5000-0.1208 0.2510 ( 5262 PWs) bands (ev): -12.6342 -12.6342 -10.4202 -10.4202 -3.9372 -3.9372 -3.4791 -3.4791 -2.6300 -2.6300 -2.0215 -2.0215 3.4208 3.4208 4.1086 4.1086 8.4947 8.4947 9.4458 9.4458 10.3085 10.3085 13.0079 13.0079 14.3117 14.3117 14.9668 14.9668 15.2028 15.2028 15.5067 15.5067 17.7194 17.7194 19.4459 19.4459 19.7112 19.7112 k = 0.5000-0.1305 0.2592 ( 5264 PWs) bands (ev): -12.6291 -12.6291 -10.4150 -10.4150 -3.9453 -3.9453 -3.4862 -3.4862 -2.6382 -2.6382 -2.0336 -2.0336 3.4135 3.4135 4.0848 4.0848 8.5218 8.5218 9.4572 9.4572 10.3137 10.3137 13.0614 13.0614 14.3239 14.3239 14.9714 14.9714 15.2101 15.2101 15.4879 15.4879 17.7434 17.7434 19.4501 19.4501 19.7723 19.7723 k = 0.5000-0.1402 0.2674 ( 5262 PWs) bands (ev): -12.6238 -12.6238 -10.4098 -10.4098 -3.9534 -3.9534 -3.4934 -3.4934 -2.6466 -2.6466 -2.0458 -2.0458 3.4054 3.4054 4.0603 4.0603 8.5495 8.5495 9.4689 9.4689 10.3189 10.3189 13.1166 13.1166 14.3363 14.3363 14.9760 14.9760 15.2230 15.2230 15.4744 15.4744 17.7623 17.7623 19.4133 19.4133 19.8696 19.8696 k = 0.5000-0.1500 0.2756 ( 5264 PWs) bands (ev): -12.6185 -12.6185 -10.4044 -10.4044 -3.9616 -3.9616 -3.5006 -3.5006 -2.6550 -2.6550 -2.0580 -2.0580 3.3967 3.3967 4.0351 4.0351 8.5777 8.5777 9.4808 9.4808 10.3241 10.3241 13.1733 13.1733 14.3490 14.3490 14.9806 14.9806 15.2412 15.2412 15.4662 15.4662 17.7768 17.7768 19.3607 19.3607 19.9779 19.9779 k = 0.5000-0.1597 0.2838 ( 5264 PWs) bands (ev): -12.6131 -12.6131 -10.3990 -10.3990 -3.9699 -3.9699 -3.5079 -3.5079 -2.6634 -2.6634 -2.0700 -2.0700 3.3872 3.3872 4.0093 4.0093 8.6063 8.6063 9.4930 9.4930 10.3294 10.3294 13.2314 13.2314 14.3618 14.3618 14.9852 14.9852 15.2645 15.2645 15.4632 15.4632 17.7872 17.7872 19.3013 19.3013 20.0880 20.0880 k = 0.5000-0.1694 0.2919 ( 5254 PWs) bands (ev): -12.6077 -12.6077 -10.3936 -10.3936 -3.9783 -3.9783 -3.5152 -3.5152 -2.6719 -2.6719 -2.0820 -2.0820 3.3771 3.3771 3.9830 3.9830 8.6352 8.6352 9.5054 9.5054 10.3345 10.3345 13.2906 13.2906 14.3748 14.3748 14.9899 14.9899 15.2927 15.2927 15.4654 15.4654 17.7940 17.7940 19.2384 19.2384 20.1960 20.1961 k = 0.5000-0.1791 0.3001 ( 5256 PWs) bands (ev): -12.6022 -12.6022 -10.3881 -10.3881 -3.9866 -3.9866 -3.5225 -3.5225 -2.6803 -2.6803 -2.0937 -2.0937 3.3663 3.3663 3.9565 3.9565 8.6643 8.6643 9.5181 9.5181 10.3396 10.3396 13.3508 13.3508 14.3880 14.3880 14.9946 14.9946 15.3256 15.3256 15.4727 15.4727 17.7977 17.7977 19.1735 19.1735 20.2999 20.2999 k = 0.5000-0.1888 0.3083 ( 5260 PWs) bands (ev): -12.5968 -12.5968 -10.3827 -10.3827 -3.9949 -3.9949 -3.5299 -3.5299 -2.6887 -2.6887 -2.1052 -2.1052 3.3549 3.3549 3.9297 3.9297 8.6934 8.6934 9.5310 9.5310 10.3445 10.3445 13.4119 13.4119 14.4014 14.4014 14.9992 14.9992 15.3627 15.3627 15.4851 15.4851 17.7987 17.7987 19.1071 19.1071 20.3903 20.3903 k = 0.5000-0.1986 0.3165 ( 5268 PWs) bands (ev): -12.5913 -12.5913 -10.3772 -10.3772 -4.0032 -4.0032 -3.5371 -3.5371 -2.6971 -2.6971 -2.1165 -2.1165 3.3428 3.3428 3.9028 3.9028 8.7225 8.7225 9.5441 9.5441 10.3493 10.3493 13.4736 13.4736 14.4150 14.4150 15.0038 15.0038 15.4039 15.4039 15.5025 15.5025 17.7974 17.7974 19.0397 19.0397 20.4588 20.4588 k = 0.5000-0.2083 0.3247 ( 5264 PWs) bands (ev): -12.5859 -12.5859 -10.3718 -10.3718 -4.0113 -4.0113 -3.5443 -3.5443 -2.7053 -2.7053 -2.1274 -2.1274 3.3301 3.3301 3.8761 3.8761 8.7514 8.7514 9.5575 9.5575 10.3539 10.3539 13.5358 13.5358 14.4288 14.4288 15.0082 15.0082 15.4488 15.4488 15.5249 15.5249 17.7941 17.7941 18.9715 18.9715 20.5231 20.5231 k = 0.5000-0.2180 0.3329 ( 5270 PWs) bands (ev): -12.5805 -12.5805 -10.3665 -10.3665 -4.0194 -4.0194 -3.5513 -3.5513 -2.7134 -2.7134 -2.1380 -2.1380 3.3168 3.3168 3.8495 3.8495 8.7800 8.7800 9.5710 9.5710 10.3582 10.3582 13.5981 13.5981 14.4427 14.4427 15.0124 15.0124 15.4968 15.4968 15.5524 15.5524 17.7892 17.7892 18.9028 18.9028 20.5847 20.5847 k = 0.5000-0.2277 0.3410 ( 5278 PWs) bands (ev): -12.5752 -12.5752 -10.3612 -10.3612 -4.0273 -4.0273 -3.5583 -3.5583 -2.7213 -2.7213 -2.1482 -2.1482 3.3030 3.3030 3.8233 3.8233 8.8082 8.8082 9.5847 9.5847 10.3623 10.3623 13.6605 13.6605 14.4568 14.4568 15.0164 15.0164 15.5470 15.5470 15.5853 15.5853 17.7829 17.7829 18.8336 18.8336 20.6436 20.6436 k = 0.5000-0.2374 0.3492 ( 5280 PWs) bands (ev): -12.5700 -12.5700 -10.3561 -10.3561 -4.0350 -4.0350 -3.5651 -3.5651 -2.7291 -2.7291 -2.1580 -2.1580 3.2888 3.2888 3.7976 3.7976 8.8358 8.8358 9.5985 9.5985 10.3661 10.3661 13.7226 13.7226 14.4710 14.4710 15.0202 15.0202 15.5972 15.5972 15.6254 15.6254 17.7756 17.7756 18.7641 18.7641 20.6997 20.6997 k = 0.5000-0.2472 0.3574 ( 5280 PWs) bands (ev): -12.5649 -12.5649 -10.3510 -10.3510 -4.0426 -4.0426 -3.5717 -3.5717 -2.7367 -2.7367 -2.1674 -2.1674 3.2743 3.2743 3.7726 3.7726 8.8627 8.8627 9.6125 9.6125 10.3695 10.3695 13.7842 13.7842 14.4853 14.4853 15.0236 15.0236 15.6448 15.6448 15.6747 15.6747 17.7674 17.7674 18.6944 18.6944 20.7529 20.7529 k = 0.5000-0.2569 0.3656 ( 5282 PWs) bands (ev): -12.5599 -12.5599 -10.3461 -10.3461 -4.0499 -4.0499 -3.5781 -3.5781 -2.7441 -2.7441 -2.1763 -2.1763 3.2594 3.2594 3.7482 3.7482 8.8888 8.8888 9.6266 9.6266 10.3727 10.3727 13.8450 13.8450 14.4997 14.4997 15.0266 15.0266 15.6912 15.6912 15.7312 15.7312 17.7586 17.7586 18.6246 18.6246 20.8032 20.8032 k = 0.5000-0.2666 0.3738 ( 5276 PWs) bands (ev): -12.5551 -12.5551 -10.3413 -10.3413 -4.0570 -4.0570 -3.5843 -3.5843 -2.7512 -2.7512 -2.1847 -2.1847 3.2444 3.2444 3.7248 3.7248 8.9140 8.9140 9.6407 9.6407 10.3755 10.3755 13.9047 13.9047 14.5143 14.5143 15.0293 15.0293 15.7392 15.7392 15.7913 15.7913 17.7493 17.7493 18.5547 18.5547 20.8506 20.8506 k = 0.5000-0.2763 0.3820 ( 5280 PWs) bands (ev): -12.5505 -12.5505 -10.3367 -10.3367 -4.0638 -4.0638 -3.5902 -3.5902 -2.7580 -2.7580 -2.1927 -2.1927 3.2293 3.2293 3.7023 3.7023 8.9381 8.9381 9.6548 9.6548 10.3780 10.3780 13.9631 13.9631 14.5288 14.5288 15.0315 15.0315 15.7896 15.7896 15.8534 15.8534 17.7398 17.7398 18.4850 18.4850 20.8950 20.8950 k = 0.5000-0.2860 0.3901 ( 5284 PWs) bands (ev): -12.5460 -12.5460 -10.3323 -10.3323 -4.0703 -4.0703 -3.5959 -3.5959 -2.7646 -2.7646 -2.2001 -2.2001 3.2141 3.2141 3.6808 3.6808 8.9612 8.9612 9.6689 9.6689 10.3801 10.3801 14.0198 14.0198 14.5435 14.5435 15.0332 15.0332 15.8426 15.8426 15.9167 15.9167 17.7302 17.7302 18.4155 18.4155 20.9365 20.9365 k = 0.5000-0.2958 0.3983 ( 5288 PWs) bands (ev): -12.5417 -12.5417 -10.3281 -10.3281 -4.0764 -4.0764 -3.6013 -3.6013 -2.7709 -2.7709 -2.2071 -2.2071 3.1992 3.1992 3.6605 3.6605 8.9830 8.9830 9.6829 9.6829 10.3819 10.3819 14.0744 14.0744 14.5584 14.5584 15.0344 15.0344 15.8979 15.8979 15.9804 15.9804 17.7206 17.7206 18.3462 18.3462 20.9751 20.9751 k = 0.5000-0.3055 0.4065 ( 5294 PWs) bands (ev): -12.5377 -12.5377 -10.3242 -10.3242 -4.0823 -4.0823 -3.6065 -3.6065 -2.7768 -2.7768 -2.2135 -2.2135 3.1845 3.1845 3.6413 3.6413 9.0036 9.0036 9.6966 9.6966 10.3834 10.3834 14.1267 14.1267 14.5734 14.5734 15.0351 15.0351 15.9553 15.9553 16.0440 16.0440 17.7111 17.7111 18.2775 18.2775 21.0105 21.0105 k = 0.5000-0.3152 0.4147 ( 5302 PWs) bands (ev): -12.5339 -12.5339 -10.3204 -10.3204 -4.0878 -4.0878 -3.6113 -3.6113 -2.7823 -2.7823 -2.2195 -2.2195 3.1702 3.1702 3.6235 3.6235 9.0228 9.0228 9.7100 9.7100 10.3845 10.3845 14.1762 14.1762 14.5886 14.5886 15.0352 15.0352 16.0143 16.0143 16.1068 16.1068 17.7019 17.7019 18.2094 18.2094 21.0396 21.0409 k = 0.5000-0.3249 0.4229 ( 5300 PWs) bands (ev): -12.5303 -12.5303 -10.3169 -10.3169 -4.0929 -4.0929 -3.6157 -3.6157 -2.7875 -2.7875 -2.2249 -2.2249 3.1564 3.1564 3.6069 3.6069 9.0405 9.0405 9.7230 9.7230 10.3853 10.3853 14.2225 14.2225 14.6041 14.6041 15.0347 15.0347 16.0745 16.0745 16.1681 16.1681 17.6930 17.6930 18.1422 18.1422 21.0315 21.0316 k = 0.5000-0.3346 0.4311 ( 5300 PWs) bands (ev): -12.5270 -12.5270 -10.3137 -10.3137 -4.0977 -4.0977 -3.6199 -3.6199 -2.7923 -2.7923 -2.2298 -2.2298 3.1433 3.1433 3.5917 3.5917 9.0569 9.0569 9.7355 9.7355 10.3859 10.3859 14.2652 14.2652 14.6199 14.6199 15.0336 15.0336 16.1353 16.1353 16.2274 16.2274 17.6846 17.6846 18.0763 18.0763 21.0074 21.0074 k = 0.5000-0.3443 0.4392 ( 5296 PWs) bands (ev): -12.5240 -12.5240 -10.3107 -10.3107 -4.1020 -4.1020 -3.6236 -3.6236 -2.7968 -2.7968 -2.2343 -2.2343 3.1310 3.1310 3.5779 3.5779 9.0717 9.0717 9.7474 9.7474 10.3862 10.3862 14.3040 14.3040 14.6361 14.6361 15.0318 15.0318 16.1961 16.1961 16.2838 16.2838 17.6767 17.6767 18.0119 18.0119 20.9733 20.9733 k = 0.5000-0.3541 0.4474 ( 5300 PWs) bands (ev): -12.5212 -12.5212 -10.3080 -10.3080 -4.1059 -4.1059 -3.6270 -3.6270 -2.8007 -2.8007 -2.2382 -2.2382 3.1196 3.1196 3.5655 3.5655 9.0850 9.0850 9.7584 9.7584 10.3864 10.3864 14.3386 14.3386 14.6525 14.6525 15.0295 15.0295 16.2561 16.2561 16.3369 16.3369 17.6693 17.6693 17.9496 17.9496 20.9330 20.9330 k = 0.5000-0.3638 0.4556 ( 5300 PWs) bands (ev): -12.5188 -12.5188 -10.3056 -10.3056 -4.1094 -4.1094 -3.6301 -3.6301 -2.8043 -2.8043 -2.2417 -2.2417 3.1092 3.1092 3.5545 3.5545 9.0967 9.0967 9.7686 9.7686 10.3863 10.3863 14.3688 14.3688 14.6690 14.6690 15.0266 15.0266 16.3145 16.3145 16.3858 16.3858 17.6625 17.6625 17.8901 17.8901 20.8910 20.8910 k = 0.5000-0.3735 0.4638 ( 5300 PWs) bands (ev): -12.5167 -12.5167 -10.3035 -10.3035 -4.1124 -4.1124 -3.6327 -3.6327 -2.8074 -2.8074 -2.2447 -2.2447 3.1000 3.1000 3.5450 3.5450 9.1069 9.1069 9.7777 9.7777 10.3862 10.3862 14.3944 14.3944 14.6853 14.6853 15.0233 15.0233 16.3701 16.3701 16.4299 16.4299 17.6562 17.6562 17.8343 17.8343 20.8505 20.8505 k = 0.5000-0.3832 0.4720 ( 5298 PWs) bands (ev): -12.5148 -12.5148 -10.3018 -10.3018 -4.1150 -4.1150 -3.6350 -3.6350 -2.8101 -2.8101 -2.2472 -2.2472 3.0920 3.0920 3.5369 3.5369 9.1155 9.1155 9.7856 9.7856 10.3860 10.3860 14.4156 14.4156 14.7009 14.7009 15.0198 15.0198 16.4216 16.4216 16.4686 16.4686 17.6504 17.6504 17.7834 17.7834 20.8136 20.8136 k = 0.5000-0.3929 0.4801 ( 5300 PWs) bands (ev): -12.5133 -12.5133 -10.3003 -10.3003 -4.1172 -4.1172 -3.6368 -3.6368 -2.8122 -2.8122 -2.2492 -2.2492 3.0854 3.0854 3.5302 3.5302 9.1226 9.1226 9.7923 9.7923 10.3857 10.3857 14.4325 14.4325 14.7151 14.7151 15.0162 15.0162 16.4675 16.4675 16.5012 16.5012 17.6448 17.6448 17.7390 17.7390 20.7819 20.7819 k = 0.5000-0.4027 0.4883 ( 5294 PWs) bands (ev): -12.5122 -12.5122 -10.2991 -10.2991 -4.1188 -4.1188 -3.6383 -3.6383 -2.8139 -2.8139 -2.2508 -2.2508 3.0801 3.0801 3.5251 3.5251 9.1281 9.1281 9.7976 9.7976 10.3855 10.3855 14.4453 14.4453 14.7273 14.7273 15.0128 15.0128 16.5060 16.5060 16.5273 16.5273 17.6389 17.6389 17.7034 17.7034 20.7565 20.7565 k = 0.5000-0.4124 0.4965 ( 5288 PWs) bands (ev): -12.5113 -12.5113 -10.2983 -10.2983 -4.1200 -4.1200 -3.6393 -3.6393 -2.8152 -2.8152 -2.2519 -2.2519 3.0764 3.0764 3.5214 3.5214 9.1320 9.1320 9.8015 9.8015 10.3853 10.3853 14.4542 14.4542 14.7367 14.7367 15.0101 15.0101 16.5349 16.5349 16.5466 16.5466 17.6318 17.6318 17.6790 17.6790 20.7380 20.7380 k = 0.5000-0.4221 0.5047 ( 5278 PWs) bands (ev): -12.5108 -12.5108 -10.2978 -10.2978 -4.1207 -4.1207 -3.6399 -3.6399 -2.8159 -2.8159 -2.2526 -2.2526 3.0741 3.0741 3.5192 3.5192 9.1343 9.1343 9.8038 9.8038 10.3851 10.3851 14.4595 14.4595 14.7426 14.7426 15.0083 15.0083 16.5522 16.5522 16.5593 16.5593 17.6247 17.6247 17.6664 17.6664 20.7267 20.7267 k = 0.5000-0.4318 0.5129 ( 5272 PWs) bands (ev): -12.5106 -12.5106 -10.2977 -10.2977 -4.1210 -4.1210 -3.6401 -3.6401 -2.8161 -2.8161 -2.2528 -2.2528 3.0733 3.0733 3.5184 3.5184 9.1351 9.1351 9.8046 9.8046 10.3851 10.3851 14.4613 14.4613 14.7446 14.7446 15.0077 15.0077 16.5576 16.5576 16.5642 16.5642 17.6216 17.6216 17.6629 17.6629 20.7230 20.7230 Writing output data file CsICl2.save init_run : 1.22s CPU 0.77s WALL ( 1 calls) electrons : 580.94s CPU 472.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.08s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 580.94s CPU 472.79s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.58s CPU 0.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.35s WALL ( 404 calls) cegterg : 528.40s CPU 438.60s WALL ( 900 calls) Called by sum_band: Called by *egterg: h_psi : 314.69s CPU 237.82s WALL ( 15957 calls) s_psi : 8.93s CPU 7.04s WALL ( 15957 calls) g_psi : 0.28s CPU 0.23s WALL ( 14653 calls) cdiaghg : 202.32s CPU 180.24s WALL ( 15057 calls) cegterg:over : 17.62s CPU 14.96s WALL ( 14653 calls) cegterg:upda : 9.45s CPU 7.92s WALL ( 14653 calls) cegterg:last : 5.04s CPU 4.63s WALL ( 2485 calls) cdiaghg:chol : 7.73s CPU 6.89s WALL ( 15057 calls) cdiaghg:inve : 2.32s CPU 2.16s WALL ( 15057 calls) cdiaghg:para : 13.39s CPU 12.20s WALL ( 30114 calls) Called by h_psi: h_psi:vloc : 282.70s CPU 212.76s WALL ( 15957 calls) h_psi:vnl : 31.74s CPU 24.87s WALL ( 15957 calls) add_vuspsi : 20.02s CPU 15.13s WALL ( 15957 calls) General routines calbec : 11.66s CPU 9.69s WALL ( 15957 calls) fft : 0.06s CPU 0.03s WALL ( 15 calls) fftw : 277.04s CPU 208.50s WALL ( 1088840 calls) davcio : 0.42s CPU 1.86s WALL ( 808 calls) Parallel routines fft_scatter : 182.61s CPU 147.85s WALL ( 1088855 calls) PWSCF : 10m18.88s CPU 8m51.47s WALL This run was terminated on: 22:45:57 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=