Program PWSCF v.5.1.1 starts on 20Jul2015 at 1: 7:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./ICl3.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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 33 9 1934 1434 213 Max 41 34 10 1944 1455 219 Sum 1965 1617 453 93143 69297 10347 bravais-lattice index = 14 lattice parameter (alat) = 10.3557 a.u. unit-cell volume = 1644.8169 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.355698 celldm(2)= 1.041971 celldm(3)= 1.531549 celldm(4)= 0.307279 celldm(5)= 0.194632 celldm(6)= 0.159364 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.166053 1.028654 0.000000 ) a(3) = ( 0.298089 0.428585 1.439826 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.161427 -0.158980 ) b(2) = ( 0.000000 0.972144 -0.289373 ) b(3) = ( 0.000000 0.000000 0.694528 ) PseudoPot. # 1 for Cl read from file: /home/autes/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: /home/autes/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 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) I 7.00 126.90450 I( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 229 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0807137 -0.0794900), wk = 0.0043668 k( 2) = ( 0.4833333 -0.0780232 -0.0768403), wk = 0.0043668 k( 3) = ( 0.4666667 -0.0753328 -0.0741907), wk = 0.0043668 k( 4) = ( 0.4500000 -0.0726423 -0.0715410), wk = 0.0043668 k( 5) = ( 0.4333333 -0.0699519 -0.0688913), wk = 0.0043668 k( 6) = ( 0.4166667 -0.0672614 -0.0662417), wk = 0.0043668 k( 7) = ( 0.4000000 -0.0645709 -0.0635920), wk = 0.0043668 k( 8) = ( 0.3833333 -0.0618805 -0.0609423), wk = 0.0043668 k( 9) = ( 0.3666667 -0.0591900 -0.0582927), wk = 0.0043668 k( 10) = ( 0.3500000 -0.0564996 -0.0556430), wk = 0.0043668 k( 11) = ( 0.3333333 -0.0538091 -0.0529933), wk = 0.0043668 k( 12) = ( 0.3166667 -0.0511187 -0.0503437), wk = 0.0043668 k( 13) = ( 0.3000000 -0.0484282 -0.0476940), wk = 0.0043668 k( 14) = ( 0.2833333 -0.0457378 -0.0450443), wk = 0.0043668 k( 15) = ( 0.2666667 -0.0430473 -0.0423947), wk = 0.0043668 k( 16) = ( 0.2500000 -0.0403568 -0.0397450), wk = 0.0043668 k( 17) = ( 0.2333333 -0.0376664 -0.0370953), wk = 0.0043668 k( 18) = ( 0.2166667 -0.0349759 -0.0344457), wk = 0.0043668 k( 19) = ( 0.2000000 -0.0322855 -0.0317960), wk = 0.0043668 k( 20) = ( 0.1833333 -0.0295950 -0.0291463), wk = 0.0043668 k( 21) = ( 0.1666667 -0.0269046 -0.0264967), wk = 0.0043668 k( 22) = ( 0.1500000 -0.0242141 -0.0238470), wk = 0.0043668 k( 23) = ( 0.1333333 -0.0215236 -0.0211973), wk = 0.0043668 k( 24) = ( 0.1166667 -0.0188332 -0.0185477), wk = 0.0043668 k( 25) = ( 0.1000000 -0.0161427 -0.0158980), wk = 0.0043668 k( 26) = ( 0.0833333 -0.0134523 -0.0132483), wk = 0.0043668 k( 27) = ( 0.0666667 -0.0107618 -0.0105987), wk = 0.0043668 k( 28) = ( 0.0500000 -0.0080714 -0.0079490), wk = 0.0043668 k( 29) = ( 0.0333333 -0.0053809 -0.0052993), wk = 0.0043668 k( 30) = ( 0.0166667 -0.0026905 -0.0026497), wk = 0.0043668 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 33) = ( 0.0000000 0.0162024 -0.0048229), wk = 0.0043668 k( 34) = ( 0.0000000 0.0324048 -0.0096458), wk = 0.0043668 k( 35) = ( 0.0000000 0.0486072 -0.0144687), wk = 0.0043668 k( 36) = ( 0.0000000 0.0648096 -0.0192915), wk = 0.0043668 k( 37) = ( 0.0000000 0.0810120 -0.0241144), wk = 0.0043668 k( 38) = ( 0.0000000 0.0972144 -0.0289373), wk = 0.0043668 k( 39) = ( 0.0000000 0.1134168 -0.0337602), wk = 0.0043668 k( 40) = ( 0.0000000 0.1296192 -0.0385831), wk = 0.0043668 k( 41) = ( 0.0000000 0.1458216 -0.0434060), wk = 0.0043668 k( 42) = ( 0.0000000 0.1620240 -0.0482288), wk = 0.0043668 k( 43) = ( 0.0000000 0.1782264 -0.0530517), wk = 0.0043668 k( 44) = ( 0.0000000 0.1944288 -0.0578746), wk = 0.0043668 k( 45) = ( 0.0000000 0.2106312 -0.0626975), wk = 0.0043668 k( 46) = ( 0.0000000 0.2268336 -0.0675204), wk = 0.0043668 k( 47) = ( 0.0000000 0.2430360 -0.0723433), wk = 0.0043668 k( 48) = ( 0.0000000 0.2592384 -0.0771661), wk = 0.0043668 k( 49) = ( 0.0000000 0.2754408 -0.0819890), wk = 0.0043668 k( 50) = ( 0.0000000 0.2916432 -0.0868119), wk = 0.0043668 k( 51) = ( 0.0000000 0.3078456 -0.0916348), wk = 0.0043668 k( 52) = ( 0.0000000 0.3240480 -0.0964577), wk = 0.0043668 k( 53) = ( 0.0000000 0.3402504 -0.1012806), wk = 0.0043668 k( 54) = ( 0.0000000 0.3564528 -0.1061034), wk = 0.0043668 k( 55) = ( 0.0000000 0.3726552 -0.1109263), wk = 0.0043668 k( 56) = ( 0.0000000 0.3888576 -0.1157492), wk = 0.0043668 k( 57) = ( 0.0000000 0.4050600 -0.1205721), wk = 0.0043668 k( 58) = ( 0.0000000 0.4212624 -0.1253950), wk = 0.0043668 k( 59) = ( 0.0000000 0.4374648 -0.1302179), wk = 0.0043668 k( 60) = ( 0.0000000 0.4536672 -0.1350407), wk = 0.0043668 k( 61) = ( 0.0000000 0.4698696 -0.1398636), wk = 0.0043668 k( 62) = ( 0.0000000 0.4860720 -0.1446865), wk = 0.0043668 k( 63) = ( 0.5000000 0.4053583 -0.2241765), wk = 0.0043668 k( 64) = ( 0.4875000 0.3952243 -0.2185721), wk = 0.0043668 k( 65) = ( 0.4750000 0.3850904 -0.2129677), wk = 0.0043668 k( 66) = ( 0.4625000 0.3749564 -0.2073633), wk = 0.0043668 k( 67) = ( 0.4500000 0.3648225 -0.2017589), wk = 0.0043668 k( 68) = ( 0.4375000 0.3546885 -0.1961545), wk = 0.0043668 k( 69) = ( 0.4250000 0.3445545 -0.1905501), wk = 0.0043668 k( 70) = ( 0.4125000 0.3344206 -0.1849456), wk = 0.0043668 k( 71) = ( 0.4000000 0.3242866 -0.1793412), wk = 0.0043668 k( 72) = ( 0.3875000 0.3141527 -0.1737368), wk = 0.0043668 k( 73) = ( 0.3750000 0.3040187 -0.1681324), wk = 0.0043668 k( 74) = ( 0.3625000 0.2938848 -0.1625280), wk = 0.0043668 k( 75) = ( 0.3500000 0.2837508 -0.1569236), wk = 0.0043668 k( 76) = ( 0.3375000 0.2736168 -0.1513192), wk = 0.0043668 k( 77) = ( 0.3250000 0.2634829 -0.1457147), wk = 0.0043668 k( 78) = ( 0.3125000 0.2533489 -0.1401103), wk = 0.0043668 k( 79) = ( 0.3000000 0.2432150 -0.1345059), wk = 0.0043668 k( 80) = ( 0.2875000 0.2330810 -0.1289015), wk = 0.0043668 k( 81) = ( 0.2750000 0.2229471 -0.1232971), wk = 0.0043668 k( 82) = ( 0.2625000 0.2128131 -0.1176927), wk = 0.0043668 k( 83) = ( 0.2500000 0.2026791 -0.1120883), wk = 0.0043668 k( 84) = ( 0.2375000 0.1925452 -0.1064839), wk = 0.0043668 k( 85) = ( 0.2250000 0.1824112 -0.1008794), wk = 0.0043668 k( 86) = ( 0.2125000 0.1722773 -0.0952750), wk = 0.0043668 k( 87) = ( 0.2000000 0.1621433 -0.0896706), wk = 0.0043668 k( 88) = ( 0.1875000 0.1520094 -0.0840662), wk = 0.0043668 k( 89) = ( 0.1750000 0.1418754 -0.0784618), wk = 0.0043668 k( 90) = ( 0.1625000 0.1317414 -0.0728574), wk = 0.0043668 k( 91) = ( 0.1500000 0.1216075 -0.0672530), wk = 0.0043668 k( 92) = ( 0.1375000 0.1114735 -0.0616485), wk = 0.0043668 k( 93) = ( 0.1250000 0.1013396 -0.0560441), wk = 0.0043668 k( 94) = ( 0.1125000 0.0912056 -0.0504397), wk = 0.0043668 k( 95) = ( 0.1000000 0.0810717 -0.0448353), wk = 0.0043668 k( 96) = ( 0.0875000 0.0709377 -0.0392309), wk = 0.0043668 k( 97) = ( 0.0750000 0.0608037 -0.0336265), wk = 0.0043668 k( 98) = ( 0.0625000 0.0506698 -0.0280221), wk = 0.0043668 k( 99) = ( 0.0500000 0.0405358 -0.0224177), wk = 0.0043668 k( 100) = ( 0.0375000 0.0304019 -0.0168132), wk = 0.0043668 k( 101) = ( 0.0250000 0.0202679 -0.0112088), wk = 0.0043668 k( 102) = ( 0.0125000 0.0101340 -0.0056044), wk = 0.0043668 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 105) = ( 0.0000000 0.0000000 0.0173632), wk = 0.0043668 k( 106) = ( 0.0000000 0.0000000 0.0347264), wk = 0.0043668 k( 107) = ( 0.0000000 0.0000000 0.0520896), wk = 0.0043668 k( 108) = ( 0.0000000 0.0000000 0.0694528), wk = 0.0043668 k( 109) = ( 0.0000000 0.0000000 0.0868161), wk = 0.0043668 k( 110) = ( 0.0000000 0.0000000 0.1041793), wk = 0.0043668 k( 111) = ( 0.0000000 0.0000000 0.1215425), wk = 0.0043668 k( 112) = ( 0.0000000 0.0000000 0.1389057), wk = 0.0043668 k( 113) = ( 0.0000000 0.0000000 0.1562689), wk = 0.0043668 k( 114) = ( 0.0000000 0.0000000 0.1736321), wk = 0.0043668 k( 115) = ( 0.0000000 0.0000000 0.1909953), wk = 0.0043668 k( 116) = ( 0.0000000 0.0000000 0.2083585), wk = 0.0043668 k( 117) = ( 0.0000000 0.0000000 0.2257217), wk = 0.0043668 k( 118) = ( 0.0000000 0.0000000 0.2430850), wk = 0.0043668 k( 119) = ( 0.0000000 0.0000000 0.2604482), wk = 0.0043668 k( 120) = ( 0.0000000 0.0000000 0.2778114), wk = 0.0043668 k( 121) = ( 0.0000000 0.0000000 0.2951746), wk = 0.0043668 k( 122) = ( 0.0000000 0.0000000 0.3125378), wk = 0.0043668 k( 123) = ( 0.0000000 0.0000000 0.3299010), wk = 0.0043668 k( 124) = ( 0.0000000 0.0000000 0.3472642), wk = 0.0043668 k( 125) = ( 0.5000000 -0.0807137 0.2677742), wk = 0.0043668 k( 126) = ( 0.4848485 -0.0782678 0.2596598), wk = 0.0043668 k( 127) = ( 0.4696970 -0.0758219 0.2515455), wk = 0.0043668 k( 128) = ( 0.4545455 -0.0733761 0.2434311), wk = 0.0043668 k( 129) = ( 0.4393939 -0.0709302 0.2353167), wk = 0.0043668 k( 130) = ( 0.4242424 -0.0684843 0.2272024), wk = 0.0043668 k( 131) = ( 0.4090909 -0.0660385 0.2190880), wk = 0.0043668 k( 132) = ( 0.3939394 -0.0635926 0.2109736), wk = 0.0043668 k( 133) = ( 0.3787879 -0.0611467 0.2028592), wk = 0.0043668 k( 134) = ( 0.3636364 -0.0587009 0.1947449), wk = 0.0043668 k( 135) = ( 0.3484849 -0.0562550 0.1866305), wk = 0.0043668 k( 136) = ( 0.3333333 -0.0538091 0.1785161), wk = 0.0043668 k( 137) = ( 0.3181818 -0.0513633 0.1704018), wk = 0.0043668 k( 138) = ( 0.3030303 -0.0489174 0.1622874), wk = 0.0043668 k( 139) = ( 0.2878788 -0.0464715 0.1541730), wk = 0.0043668 k( 140) = ( 0.2727273 -0.0440256 0.1460587), wk = 0.0043668 k( 141) = ( 0.2575758 -0.0415798 0.1379443), wk = 0.0043668 k( 142) = ( 0.2424242 -0.0391339 0.1298299), wk = 0.0043668 k( 143) = ( 0.2272727 -0.0366880 0.1217156), wk = 0.0043668 k( 144) = ( 0.2121212 -0.0342422 0.1136012), wk = 0.0043668 k( 145) = ( 0.1969697 -0.0317963 0.1054868), wk = 0.0043668 k( 146) = ( 0.1818182 -0.0293504 0.0973724), wk = 0.0043668 k( 147) = ( 0.1666667 -0.0269046 0.0892581), wk = 0.0043668 k( 148) = ( 0.1515151 -0.0244587 0.0811437), wk = 0.0043668 k( 149) = ( 0.1363636 -0.0220128 0.0730293), wk = 0.0043668 k( 150) = ( 0.1212121 -0.0195670 0.0649150), wk = 0.0043668 k( 151) = ( 0.1060606 -0.0171211 0.0568006), wk = 0.0043668 k( 152) = ( 0.0909091 -0.0146752 0.0486862), wk = 0.0043668 k( 153) = ( 0.0757576 -0.0122293 0.0405719), wk = 0.0043668 k( 154) = ( 0.0606061 -0.0097835 0.0324575), wk = 0.0043668 k( 155) = ( 0.0454546 -0.0073376 0.0243431), wk = 0.0043668 k( 156) = ( 0.0303030 -0.0048917 0.0162287), wk = 0.0043668 k( 157) = ( 0.0151515 -0.0024459 0.0081144), wk = 0.0043668 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 160) = ( 0.0000000 0.0156797 0.0065348), wk = 0.0043668 k( 161) = ( 0.0000000 0.0313595 0.0130695), wk = 0.0043668 k( 162) = ( 0.0000000 0.0470392 0.0196043), wk = 0.0043668 k( 163) = ( 0.0000000 0.0627190 0.0261391), wk = 0.0043668 k( 164) = ( 0.0000000 0.0783987 0.0326738), wk = 0.0043668 k( 165) = ( 0.0000000 0.0940784 0.0392086), wk = 0.0043668 k( 166) = ( 0.0000000 0.1097582 0.0457434), wk = 0.0043668 k( 167) = ( 0.0000000 0.1254379 0.0522781), wk = 0.0043668 k( 168) = ( 0.0000000 0.1411177 0.0588129), wk = 0.0043668 k( 169) = ( 0.0000000 0.1567974 0.0653476), wk = 0.0043668 k( 170) = ( 0.0000000 0.1724771 0.0718824), wk = 0.0043668 k( 171) = ( 0.0000000 0.1881569 0.0784172), wk = 0.0043668 k( 172) = ( 0.0000000 0.2038366 0.0849519), wk = 0.0043668 k( 173) = ( 0.0000000 0.2195164 0.0914867), wk = 0.0043668 k( 174) = ( 0.0000000 0.2351961 0.0980215), wk = 0.0043668 k( 175) = ( 0.0000000 0.2508759 0.1045562), wk = 0.0043668 k( 176) = ( 0.0000000 0.2665556 0.1110910), wk = 0.0043668 k( 177) = ( 0.0000000 0.2822353 0.1176258), wk = 0.0043668 k( 178) = ( 0.0000000 0.2979151 0.1241605), wk = 0.0043668 k( 179) = ( 0.0000000 0.3135948 0.1306953), wk = 0.0043668 k( 180) = ( 0.0000000 0.3292746 0.1372301), wk = 0.0043668 k( 181) = ( 0.0000000 0.3449543 0.1437648), wk = 0.0043668 k( 182) = ( 0.0000000 0.3606340 0.1502996), wk = 0.0043668 k( 183) = ( 0.0000000 0.3763138 0.1568344), wk = 0.0043668 k( 184) = ( 0.0000000 0.3919935 0.1633691), wk = 0.0043668 k( 185) = ( 0.0000000 0.4076733 0.1699039), wk = 0.0043668 k( 186) = ( 0.0000000 0.4233530 0.1764386), wk = 0.0043668 k( 187) = ( 0.0000000 0.4390327 0.1829734), wk = 0.0043668 k( 188) = ( 0.0000000 0.4547125 0.1895082), wk = 0.0043668 k( 189) = ( 0.0000000 0.4703922 0.1960429), wk = 0.0043668 k( 190) = ( 0.0000000 0.4860720 0.2025777), wk = 0.0043668 k( 191) = ( 0.5000000 0.4053583 0.1230877), wk = 0.0043668 k( 192) = ( 0.4868421 0.3946910 0.1198485), wk = 0.0043668 k( 193) = ( 0.4736842 0.3840236 0.1166094), wk = 0.0043668 k( 194) = ( 0.4605263 0.3733563 0.1133702), wk = 0.0043668 k( 195) = ( 0.4473684 0.3626890 0.1101311), wk = 0.0043668 k( 196) = ( 0.4342105 0.3520217 0.1068919), wk = 0.0043668 k( 197) = ( 0.4210526 0.3413543 0.1036528), wk = 0.0043668 k( 198) = ( 0.4078947 0.3306870 0.1004136), wk = 0.0043668 k( 199) = ( 0.3947368 0.3200197 0.0971745), wk = 0.0043668 k( 200) = ( 0.3815789 0.3093524 0.0939353), wk = 0.0043668 k( 201) = ( 0.3684211 0.2986851 0.0906962), wk = 0.0043668 k( 202) = ( 0.3552632 0.2880177 0.0874570), wk = 0.0043668 k( 203) = ( 0.3421053 0.2773504 0.0842179), wk = 0.0043668 k( 204) = ( 0.3289474 0.2666831 0.0809787), wk = 0.0043668 k( 205) = ( 0.3157895 0.2560158 0.0777396), wk = 0.0043668 k( 206) = ( 0.3026316 0.2453484 0.0745004), wk = 0.0043668 k( 207) = ( 0.2894737 0.2346811 0.0712613), wk = 0.0043668 k( 208) = ( 0.2763158 0.2240138 0.0680221), wk = 0.0043668 k( 209) = ( 0.2631579 0.2133465 0.0647830), wk = 0.0043668 k( 210) = ( 0.2500000 0.2026791 0.0615438), wk = 0.0043668 k( 211) = ( 0.2368421 0.1920118 0.0583047), wk = 0.0043668 k( 212) = ( 0.2236842 0.1813445 0.0550655), wk = 0.0043668 k( 213) = ( 0.2105263 0.1706772 0.0518264), wk = 0.0043668 k( 214) = ( 0.1973684 0.1600098 0.0485872), wk = 0.0043668 k( 215) = ( 0.1842105 0.1493425 0.0453481), wk = 0.0043668 k( 216) = ( 0.1710526 0.1386752 0.0421089), wk = 0.0043668 k( 217) = ( 0.1578947 0.1280079 0.0388698), wk = 0.0043668 k( 218) = ( 0.1447368 0.1173406 0.0356306), wk = 0.0043668 k( 219) = ( 0.1315790 0.1066732 0.0323915), wk = 0.0043668 k( 220) = ( 0.1184210 0.0960059 0.0291523), wk = 0.0043668 k( 221) = ( 0.1052632 0.0853386 0.0259132), wk = 0.0043668 k( 222) = ( 0.0921053 0.0746713 0.0226740), wk = 0.0043668 k( 223) = ( 0.0789474 0.0640039 0.0194349), wk = 0.0043668 k( 224) = ( 0.0657895 0.0533366 0.0161957), wk = 0.0043668 k( 225) = ( 0.0526316 0.0426693 0.0129566), wk = 0.0043668 k( 226) = ( 0.0394737 0.0320020 0.0097174), wk = 0.0043668 k( 227) = ( 0.0263158 0.0213346 0.0064783), wk = 0.0043668 k( 228) = ( 0.0131579 0.0106673 0.0032391), wk = 0.0043668 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 cryst. coord. k( 1) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0043668 k( 2) = ( 0.4833333 -0.0000000 0.0000000), wk = 0.0043668 k( 3) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0043668 k( 4) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0043668 k( 5) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0043668 k( 6) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0043668 k( 7) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0043668 k( 8) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0043668 k( 9) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0043668 k( 10) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0043668 k( 11) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0043668 k( 12) = ( 0.3166667 -0.0000000 0.0000000), wk = 0.0043668 k( 13) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0043668 k( 14) = ( 0.2833333 -0.0000000 0.0000000), wk = 0.0043668 k( 15) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0043668 k( 16) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0043668 k( 17) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0043668 k( 18) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0043668 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0043668 k( 20) = ( 0.1833333 -0.0000000 0.0000000), wk = 0.0043668 k( 21) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0043668 k( 22) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0043668 k( 23) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0043668 k( 24) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0043668 k( 25) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0043668 k( 26) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0043668 k( 27) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0043668 k( 28) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0043668 k( 29) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0043668 k( 30) = ( 0.0166667 -0.0000000 0.0000000), wk = 0.0043668 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 33) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043668 k( 34) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043668 k( 35) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043668 k( 36) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043668 k( 37) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043668 k( 38) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043668 k( 39) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043668 k( 40) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043668 k( 41) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043668 k( 42) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043668 k( 43) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043668 k( 44) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043668 k( 45) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043668 k( 46) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043668 k( 47) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043668 k( 48) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043668 k( 49) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043668 k( 50) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043668 k( 51) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043668 k( 52) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043668 k( 53) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043668 k( 54) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043668 k( 55) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043668 k( 56) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043668 k( 57) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043668 k( 58) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043668 k( 59) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043668 k( 60) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043668 k( 61) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043668 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043668 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043668 k( 64) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0043668 k( 65) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0043668 k( 66) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0043668 k( 67) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0043668 k( 68) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0043668 k( 69) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0043668 k( 70) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0043668 k( 71) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0043668 k( 72) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0043668 k( 73) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0043668 k( 74) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0043668 k( 75) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0043668 k( 76) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0043668 k( 77) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0043668 k( 78) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0043668 k( 79) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0043668 k( 80) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0043668 k( 81) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0043668 k( 82) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0043668 k( 83) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043668 k( 84) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0043668 k( 85) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0043668 k( 86) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0043668 k( 87) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0043668 k( 88) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0043668 k( 89) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0043668 k( 90) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0043668 k( 91) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0043668 k( 92) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0043668 k( 93) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0043668 k( 94) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0043668 k( 95) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0043668 k( 96) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0043668 k( 97) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0043668 k( 98) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0043668 k( 99) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0043668 k( 100) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0043668 k( 101) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0043668 k( 102) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0043668 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 105) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0043668 k( 106) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0043668 k( 107) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0043668 k( 108) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0043668 k( 109) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0043668 k( 110) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0043668 k( 111) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0043668 k( 112) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0043668 k( 113) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0043668 k( 114) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0043668 k( 115) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0043668 k( 116) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0043668 k( 117) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0043668 k( 118) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0043668 k( 119) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0043668 k( 120) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0043668 k( 121) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0043668 k( 122) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0043668 k( 123) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0043668 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043668 k( 125) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0043668 k( 126) = ( 0.4848485 -0.0000000 0.4848485), wk = 0.0043668 k( 127) = ( 0.4696970 -0.0000000 0.4696970), wk = 0.0043668 k( 128) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0043668 k( 129) = ( 0.4393939 -0.0000000 0.4393939), wk = 0.0043668 k( 130) = ( 0.4242424 -0.0000000 0.4242424), wk = 0.0043668 k( 131) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0043668 k( 132) = ( 0.3939394 0.0000000 0.3939394), wk = 0.0043668 k( 133) = ( 0.3787879 -0.0000000 0.3787879), wk = 0.0043668 k( 134) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0043668 k( 135) = ( 0.3484849 -0.0000000 0.3484849), wk = 0.0043668 k( 136) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0043668 k( 137) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0043668 k( 138) = ( 0.3030303 -0.0000000 0.3030303), wk = 0.0043668 k( 139) = ( 0.2878788 0.0000000 0.2878788), wk = 0.0043668 k( 140) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0043668 k( 141) = ( 0.2575758 -0.0000000 0.2575758), wk = 0.0043668 k( 142) = ( 0.2424242 -0.0000000 0.2424242), wk = 0.0043668 k( 143) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0043668 k( 144) = ( 0.2121212 -0.0000000 0.2121212), wk = 0.0043668 k( 145) = ( 0.1969697 -0.0000000 0.1969697), wk = 0.0043668 k( 146) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0043668 k( 147) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0043668 k( 148) = ( 0.1515151 -0.0000000 0.1515151), wk = 0.0043668 k( 149) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0043668 k( 150) = ( 0.1212121 -0.0000000 0.1212121), wk = 0.0043668 k( 151) = ( 0.1060606 0.0000000 0.1060606), wk = 0.0043668 k( 152) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0043668 k( 153) = ( 0.0757576 -0.0000000 0.0757576), wk = 0.0043668 k( 154) = ( 0.0606061 -0.0000000 0.0606061), wk = 0.0043668 k( 155) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0043668 k( 156) = ( 0.0303030 -0.0000000 0.0303030), wk = 0.0043668 k( 157) = ( 0.0151515 0.0000000 0.0151515), wk = 0.0043668 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 160) = ( 0.0000000 0.0161290 0.0161290), wk = 0.0043668 k( 161) = ( 0.0000000 0.0322581 0.0322581), wk = 0.0043668 k( 162) = ( 0.0000000 0.0483871 0.0483871), wk = 0.0043668 k( 163) = ( 0.0000000 0.0645161 0.0645161), wk = 0.0043668 k( 164) = ( 0.0000000 0.0806452 0.0806452), wk = 0.0043668 k( 165) = ( 0.0000000 0.0967742 0.0967742), wk = 0.0043668 k( 166) = ( 0.0000000 0.1129032 0.1129032), wk = 0.0043668 k( 167) = ( 0.0000000 0.1290323 0.1290323), wk = 0.0043668 k( 168) = ( 0.0000000 0.1451613 0.1451613), wk = 0.0043668 k( 169) = ( 0.0000000 0.1612903 0.1612903), wk = 0.0043668 k( 170) = ( 0.0000000 0.1774194 0.1774194), wk = 0.0043668 k( 171) = ( 0.0000000 0.1935484 0.1935484), wk = 0.0043668 k( 172) = ( 0.0000000 0.2096774 0.2096774), wk = 0.0043668 k( 173) = ( 0.0000000 0.2258064 0.2258064), wk = 0.0043668 k( 174) = ( 0.0000000 0.2419355 0.2419355), wk = 0.0043668 k( 175) = ( 0.0000000 0.2580645 0.2580645), wk = 0.0043668 k( 176) = ( 0.0000000 0.2741936 0.2741936), wk = 0.0043668 k( 177) = ( 0.0000000 0.2903226 0.2903226), wk = 0.0043668 k( 178) = ( 0.0000000 0.3064516 0.3064516), wk = 0.0043668 k( 179) = ( 0.0000000 0.3225807 0.3225807), wk = 0.0043668 k( 180) = ( 0.0000000 0.3387097 0.3387097), wk = 0.0043668 k( 181) = ( 0.0000000 0.3548387 0.3548387), wk = 0.0043668 k( 182) = ( 0.0000000 0.3709677 0.3709677), wk = 0.0043668 k( 183) = ( 0.0000000 0.3870968 0.3870968), wk = 0.0043668 k( 184) = ( 0.0000000 0.4032258 0.4032258), wk = 0.0043668 k( 185) = ( 0.0000000 0.4193548 0.4193548), wk = 0.0043668 k( 186) = ( 0.0000000 0.4354839 0.4354839), wk = 0.0043668 k( 187) = ( 0.0000000 0.4516129 0.4516129), wk = 0.0043668 k( 188) = ( 0.0000000 0.4677419 0.4677419), wk = 0.0043668 k( 189) = ( 0.0000000 0.4838710 0.4838710), wk = 0.0043668 k( 190) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0043668 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043668 k( 192) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0043668 k( 193) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0043668 k( 194) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0043668 k( 195) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0043668 k( 196) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0043668 k( 197) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0043668 k( 198) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0043668 k( 199) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0043668 k( 200) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0043668 k( 201) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0043668 k( 202) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0043668 k( 203) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0043668 k( 204) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0043668 k( 205) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0043668 k( 206) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0043668 k( 207) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0043668 k( 208) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0043668 k( 209) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0043668 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0043668 k( 211) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0043668 k( 212) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0043668 k( 213) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0043668 k( 214) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0043668 k( 215) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0043668 k( 216) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0043668 k( 217) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0043668 k( 218) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0043668 k( 219) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0043668 k( 220) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0043668 k( 221) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0043668 k( 222) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0043668 k( 223) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0043668 k( 224) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0043668 k( 225) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0043668 k( 226) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0043668 k( 227) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0043668 k( 228) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0043668 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 Dense grid: 93143 G-vectors FFT dimensions: ( 50, 54, 75) Smooth grid: 69297 G-vectors FFT dimensions: ( 45, 48, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 366, 68) NL pseudopotentials 0.76 Mb ( 183, 272) Each V/rho on FFT grid 0.08 Mb ( 5400) Each G-vector array 0.01 Mb ( 1939) G-vector shells 0.01 Mb ( 1904) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.52 Mb ( 366, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.56 Mb ( 272, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ICl3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.6 secs Computing kpt #: 2 total cpu time spent up to now is 52.5 secs Computing kpt #: 3 total cpu time spent up to now is 58.5 secs Computing kpt #: 4 total cpu time spent up to now is 64.7 secs Computing kpt #: 5 total cpu time spent up to now is 70.3 secs Computing kpt #: 6 total cpu time spent up to now is 75.6 secs Computing kpt #: 7 total cpu time spent up to now is 80.8 secs Computing kpt #: 8 total cpu time spent up to now is 86.0 secs Computing kpt #: 9 total cpu time spent up to now is 92.0 secs Computing kpt #: 10 total cpu time spent up to now is 98.0 secs Computing kpt #: 11 total cpu time spent up to now is 105.0 secs Computing kpt #: 12 total cpu time spent up to now is 112.4 secs Computing kpt #: 13 total cpu time spent up to now is 120.4 secs Computing kpt #: 14 total cpu time spent up to now is 128.6 secs Computing kpt #: 15 total cpu time spent up to now is 136.6 secs Computing kpt #: 16 total cpu time spent up to now is 143.9 secs Computing kpt #: 17 total cpu time spent up to now is 151.2 secs Computing kpt #: 18 total cpu time spent up to now is 158.9 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.3 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.8 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.5 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.8 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.1 secs Computing kpt #: 24 total cpu time spent up to now is 209.1 secs Computing kpt #: 25 total cpu time spent up to now is 215.8 secs Computing kpt #: 26 total cpu time spent up to now is 222.5 secs Computing kpt #: 27 total cpu time spent up to now is 228.4 secs Computing kpt #: 28 total cpu time spent up to now is 234.3 secs Computing kpt #: 29 total cpu time spent up to now is 240.3 secs Computing kpt #: 30 total cpu time spent up to now is 246.1 secs Computing kpt #: 31 total cpu time spent up to now is 252.2 secs Computing kpt #: 32 total cpu time spent up to now is 257.8 secs Computing kpt #: 33 total cpu time spent up to now is 263.8 secs Computing kpt #: 34 total cpu time spent up to now is 269.9 secs Computing kpt #: 35 total cpu time spent up to now is 276.3 secs Computing kpt #: 36 total cpu time spent up to now is 282.9 secs Computing kpt #: 37 total cpu time spent up to now is 289.7 secs Computing kpt #: 38 total cpu time spent up to now is 296.8 secs Computing kpt #: 39 total cpu time spent up to now is 303.8 secs Computing kpt #: 40 total cpu time spent up to now is 310.8 secs Computing kpt #: 41 total cpu time spent up to now is 317.0 secs Computing kpt #: 42 total cpu time spent up to now is 323.0 secs Computing kpt #: 43 total cpu time spent up to now is 328.3 secs Computing kpt #: 44 total cpu time spent up to now is 333.5 secs Computing kpt #: 45 total cpu time spent up to now is 338.7 secs Computing kpt #: 46 total cpu time spent up to now is 343.8 secs Computing kpt #: 47 total cpu time spent up to now is 348.9 secs Computing kpt #: 48 total cpu time spent up to now is 353.9 secs Computing kpt #: 49 total cpu time spent up to now is 360.7 secs Computing kpt #: 50 total cpu time spent up to now is 365.5 secs Computing kpt #: 51 total cpu time spent up to now is 370.3 secs Computing kpt #: 52 total cpu time spent up to now is 375.0 secs Computing kpt #: 53 total cpu time spent up to now is 379.9 secs Computing kpt #: 54 total cpu time spent up to now is 384.8 secs Computing kpt #: 55 total cpu time spent up to now is 389.6 secs Computing kpt #: 56 total cpu time spent up to now is 394.4 secs Computing kpt #: 57 total cpu time spent up to now is 399.3 secs Computing kpt #: 58 total cpu time spent up to now is 404.3 secs Computing kpt #: 59 total cpu time spent up to now is 409.2 secs Computing kpt #: 60 total cpu time spent up to now is 414.2 secs Computing kpt #: 61 total cpu time spent up to now is 419.2 secs Computing kpt #: 62 total cpu time spent up to now is 424.3 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.5 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.1 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.7 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 458.1 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.9 secs Computing kpt #: 68 total cpu time spent up to now is 474.4 secs Computing kpt #: 69 total cpu time spent up to now is 482.3 secs Computing kpt #: 70 total cpu time spent up to now is 489.5 secs Computing kpt #: 71 total cpu time spent up to now is 496.7 secs Computing kpt #: 72 total cpu time spent up to now is 502.8 secs Computing kpt #: 73 total cpu time spent up to now is 508.8 secs Computing kpt #: 74 total cpu time spent up to now is 515.0 secs Computing kpt #: 75 total cpu time spent up to now is 521.3 secs Computing kpt #: 76 total cpu time spent up to now is 527.5 secs Computing kpt #: 77 total cpu time spent up to now is 534.0 secs Computing kpt #: 78 total cpu time spent up to now is 541.2 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.8 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.4 secs Computing kpt #: 81 total cpu time spent up to now is 566.3 secs Computing kpt #: 82 total cpu time spent up to now is 573.4 secs Computing kpt #: 83 total cpu time spent up to now is 579.2 secs Computing kpt #: 84 total cpu time spent up to now is 584.7 secs Computing kpt #: 85 total cpu time spent up to now is 590.1 secs Computing kpt #: 86 total cpu time spent up to now is 595.5 secs Computing kpt #: 87 total cpu time spent up to now is 600.9 secs Computing kpt #: 88 total cpu time spent up to now is 606.7 secs Computing kpt #: 89 total cpu time spent up to now is 612.7 secs Computing kpt #: 90 total cpu time spent up to now is 619.4 secs Computing kpt #: 91 total cpu time spent up to now is 626.4 secs Computing kpt #: 92 total cpu time spent up to now is 633.5 secs Computing kpt #: 93 total cpu time spent up to now is 640.9 secs Computing kpt #: 94 total cpu time spent up to now is 648.3 secs Computing kpt #: 95 total cpu time spent up to now is 656.0 secs Computing kpt #: 96 total cpu time spent up to now is 663.2 secs Computing kpt #: 97 total cpu time spent up to now is 669.8 secs Computing kpt #: 98 total cpu time spent up to now is 676.0 secs Computing kpt #: 99 total cpu time spent up to now is 682.5 secs Computing kpt #: 100 total cpu time spent up to now is 688.5 secs Computing kpt #: 101 total cpu time spent up to now is 694.0 secs Computing kpt #: 102 total cpu time spent up to now is 699.5 secs Computing kpt #: 103 total cpu time spent up to now is 705.3 secs Computing kpt #: 104 total cpu time spent up to now is 711.1 secs Computing kpt #: 105 total cpu time spent up to now is 716.8 secs Computing kpt #: 106 total cpu time spent up to now is 722.7 secs Computing kpt #: 107 total cpu time spent up to now is 728.5 secs Computing kpt #: 108 total cpu time spent up to now is 734.3 secs Computing kpt #: 109 total cpu time spent up to now is 740.1 secs Computing kpt #: 110 total cpu time spent up to now is 745.9 secs Computing kpt #: 111 total cpu time spent up to now is 751.8 secs Computing kpt #: 112 total cpu time spent up to now is 757.6 secs Computing kpt #: 113 total cpu time spent up to now is 763.4 secs Computing kpt #: 114 total cpu time spent up to now is 769.5 secs Computing kpt #: 115 total cpu time spent up to now is 775.5 secs Computing kpt #: 116 total cpu time spent up to now is 781.3 secs Computing kpt #: 117 total cpu time spent up to now is 787.0 secs Computing kpt #: 118 total cpu time spent up to now is 792.3 secs Computing kpt #: 119 total cpu time spent up to now is 797.4 secs Computing kpt #: 120 total cpu time spent up to now is 802.5 secs Computing kpt #: 121 total cpu time spent up to now is 807.4 secs Computing kpt #: 122 total cpu time spent up to now is 812.1 secs Computing kpt #: 123 total cpu time spent up to now is 816.8 secs Computing kpt #: 124 total cpu time spent up to now is 821.1 secs Computing kpt #: 125 total cpu time spent up to now is 826.2 secs Computing kpt #: 126 total cpu time spent up to now is 831.2 secs Computing kpt #: 127 total cpu time spent up to now is 836.2 secs Computing kpt #: 128 total cpu time spent up to now is 841.2 secs Computing kpt #: 129 total cpu time spent up to now is 846.2 secs Computing kpt #: 130 total cpu time spent up to now is 851.2 secs Computing kpt #: 131 total cpu time spent up to now is 856.1 secs Computing kpt #: 132 total cpu time spent up to now is 861.4 secs Computing kpt #: 133 total cpu time spent up to now is 866.9 secs Computing kpt #: 134 total cpu time spent up to now is 873.0 secs Computing kpt #: 135 total cpu time spent up to now is 879.2 secs Computing kpt #: 136 total cpu time spent up to now is 885.5 secs Computing kpt #: 137 total cpu time spent up to now is 891.7 secs Computing kpt #: 138 total cpu time spent up to now is 897.6 secs Computing kpt #: 139 total cpu time spent up to now is 903.4 secs Computing kpt #: 140 total cpu time spent up to now is 908.7 secs Computing kpt #: 141 total cpu time spent up to now is 914.0 secs Computing kpt #: 142 total cpu time spent up to now is 919.3 secs Computing kpt #: 143 total cpu time spent up to now is 924.5 secs Computing kpt #: 144 total cpu time spent up to now is 929.8 secs Computing kpt #: 145 total cpu time spent up to now is 935.1 secs Computing kpt #: 146 total cpu time spent up to now is 940.9 secs Computing kpt #: 147 total cpu time spent up to now is 947.2 secs Computing kpt #: 148 total cpu time spent up to now is 954.6 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 962.9 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 971.3 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 981.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 989.9 secs Computing kpt #: 153 total cpu time spent up to now is 996.7 secs Computing kpt #: 154 total cpu time spent up to now is 1003.2 secs Computing kpt #: 155 total cpu time spent up to now is 1009.7 secs Computing kpt #: 156 total cpu time spent up to now is 1015.7 secs Computing kpt #: 157 total cpu time spent up to now is 1021.5 secs Computing kpt #: 158 total cpu time spent up to now is 1027.2 secs Computing kpt #: 159 total cpu time spent up to now is 1033.1 secs Computing kpt #: 160 total cpu time spent up to now is 1039.1 secs Computing kpt #: 161 total cpu time spent up to now is 1045.1 secs Computing kpt #: 162 total cpu time spent up to now is 1050.9 secs Computing kpt #: 163 total cpu time spent up to now is 1056.8 secs Computing kpt #: 164 total cpu time spent up to now is 1062.7 secs Computing kpt #: 165 total cpu time spent up to now is 1068.6 secs Computing kpt #: 166 total cpu time spent up to now is 1074.4 secs Computing kpt #: 167 total cpu time spent up to now is 1080.5 secs Computing kpt #: 168 total cpu time spent up to now is 1086.7 secs Computing kpt #: 169 total cpu time spent up to now is 1092.8 secs Computing kpt #: 170 total cpu time spent up to now is 1098.8 secs Computing kpt #: 171 total cpu time spent up to now is 1104.7 secs Computing kpt #: 172 total cpu time spent up to now is 1110.8 secs Computing kpt #: 173 total cpu time spent up to now is 1116.8 secs Computing kpt #: 174 total cpu time spent up to now is 1122.7 secs Computing kpt #: 175 total cpu time spent up to now is 1128.6 secs Computing kpt #: 176 total cpu time spent up to now is 1134.1 secs Computing kpt #: 177 total cpu time spent up to now is 1140.2 secs Computing kpt #: 178 total cpu time spent up to now is 1146.4 secs Computing kpt #: 179 total cpu time spent up to now is 1153.4 secs Computing kpt #: 180 total cpu time spent up to now is 1159.7 secs Computing kpt #: 181 total cpu time spent up to now is 1166.2 secs Computing kpt #: 182 total cpu time spent up to now is 1172.4 secs Computing kpt #: 183 total cpu time spent up to now is 1178.5 secs Computing kpt #: 184 total cpu time spent up to now is 1184.6 secs Computing kpt #: 185 total cpu time spent up to now is 1190.0 secs Computing kpt #: 186 total cpu time spent up to now is 1195.4 secs Computing kpt #: 187 total cpu time spent up to now is 1200.7 secs Computing kpt #: 188 total cpu time spent up to now is 1205.9 secs Computing kpt #: 189 total cpu time spent up to now is 1211.0 secs Computing kpt #: 190 total cpu time spent up to now is 1216.0 secs Computing kpt #: 191 total cpu time spent up to now is 1220.9 secs Computing kpt #: 192 total cpu time spent up to now is 1226.0 secs Computing kpt #: 193 total cpu time spent up to now is 1231.3 secs Computing kpt #: 194 total cpu time spent up to now is 1236.7 secs Computing kpt #: 195 total cpu time spent up to now is 1242.1 secs Computing kpt #: 196 total cpu time spent up to now is 1247.5 secs Computing kpt #: 197 total cpu time spent up to now is 1252.8 secs Computing kpt #: 198 total cpu time spent up to now is 1258.2 secs Computing kpt #: 199 total cpu time spent up to now is 1263.8 secs Computing kpt #: 200 total cpu time spent up to now is 1269.3 secs Computing kpt #: 201 total cpu time spent up to now is 1274.8 secs Computing kpt #: 202 total cpu time spent up to now is 1280.8 secs Computing kpt #: 203 total cpu time spent up to now is 1286.8 secs Computing kpt #: 204 total cpu time spent up to now is 1293.1 secs Computing kpt #: 205 total cpu time spent up to now is 1299.5 secs Computing kpt #: 206 total cpu time spent up to now is 1306.4 secs Computing kpt #: 207 total cpu time spent up to now is 1313.7 secs Computing kpt #: 208 total cpu time spent up to now is 1321.5 secs Computing kpt #: 209 total cpu time spent up to now is 1330.0 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1338.3 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1346.8 secs Computing kpt #: 212 total cpu time spent up to now is 1354.8 secs Computing kpt #: 213 total cpu time spent up to now is 1362.9 secs Computing kpt #: 214 total cpu time spent up to now is 1370.7 secs Computing kpt #: 215 total cpu time spent up to now is 1378.3 secs Computing kpt #: 216 total cpu time spent up to now is 1385.5 secs Computing kpt #: 217 total cpu time spent up to now is 1392.6 secs Computing kpt #: 218 total cpu time spent up to now is 1399.4 secs Computing kpt #: 219 total cpu time spent up to now is 1406.2 secs Computing kpt #: 220 total cpu time spent up to now is 1412.6 secs Computing kpt #: 221 total cpu time spent up to now is 1419.3 secs Computing kpt #: 222 total cpu time spent up to now is 1425.9 secs Computing kpt #: 223 total cpu time spent up to now is 1431.9 secs Computing kpt #: 224 total cpu time spent up to now is 1437.9 secs Computing kpt #: 225 total cpu time spent up to now is 1443.7 secs Computing kpt #: 226 total cpu time spent up to now is 1449.8 secs Computing kpt #: 227 total cpu time spent up to now is 1455.5 secs Computing kpt #: 228 total cpu time spent up to now is 1460.7 secs Computing kpt #: 229 total cpu time spent up to now is 1466.0 secs ethr = 1.79E-11, avg # of iterations = 73.5 total cpu time spent up to now is 1466.2 secs End of band structure calculation k = 0.5000-0.0807-0.0795 ( 8682 PWs) bands (ev): -13.8592 -13.8592 -13.6527 -13.6527 -12.4210 -12.4210 -12.3206 -12.3206 -12.2501 -12.2501 -11.9577 -11.9577 -10.1235 -10.1235 -9.5420 -9.5420 -3.7507 -3.7507 -3.3464 -3.3464 -3.0382 -3.0382 -2.8542 -2.8542 -1.6934 -1.6934 -1.2812 -1.2812 -0.7952 -0.7952 -0.5365 -0.5365 -0.2077 -0.2077 -0.1377 -0.1377 -0.0317 -0.0317 -0.0118 -0.0118 0.2875 0.2875 0.4740 0.4740 0.5819 0.5819 0.6780 0.6780 0.7435 0.7435 0.8256 0.8256 1.6285 1.6285 1.7953 1.7953 3.9407 3.9407 4.1461 4.1461 4.4470 4.4470 4.8532 4.8532 9.1471 9.1471 9.4323 9.4323 k = 0.4833-0.0780-0.0768 ( 8684 PWs) bands (ev): -13.8600 -13.8600 -13.6522 -13.6522 -12.4206 -12.4206 -12.3205 -12.3205 -12.2501 -12.2501 -11.9578 -11.9578 -10.1232 -10.1232 -9.5421 -9.5421 -3.7502 -3.7502 -3.3461 -3.3461 -3.0384 -3.0384 -2.8541 -2.8541 -1.6935 -1.6935 -1.2799 -1.2799 -0.7954 -0.7954 -0.5364 -0.5364 -0.2125 -0.2125 -0.1344 -0.1344 -0.0323 -0.0323 -0.0096 -0.0096 0.2860 0.2860 0.4732 0.4732 0.5823 0.5823 0.6775 0.6775 0.7425 0.7425 0.8250 0.8250 1.6274 1.6274 1.7944 1.7944 3.9412 3.9412 4.1483 4.1483 4.4474 4.4474 4.8535 4.8535 9.1505 9.1505 9.4315 9.4315 k = 0.4667-0.0753-0.0742 ( 8688 PWs) bands (ev): -13.8624 -13.8624 -13.6506 -13.6506 -12.4196 -12.4196 -12.3203 -12.3203 -12.2501 -12.2501 -11.9581 -11.9581 -10.1221 -10.1221 -9.5426 -9.5426 -3.7487 -3.7487 -3.3451 -3.3451 -3.0389 -3.0389 -2.8538 -2.8538 -1.6938 -1.6938 -1.2760 -1.2760 -0.7960 -0.7960 -0.5360 -0.5360 -0.2248 -0.2248 -0.1264 -0.1264 -0.0332 -0.0332 -0.0041 -0.0041 0.2818 0.2818 0.4708 0.4708 0.5833 0.5833 0.6761 0.6761 0.7398 0.7398 0.8232 0.8232 1.6242 1.6242 1.7916 1.7916 3.9427 3.9427 4.1548 4.1548 4.4485 4.4485 4.8546 4.8546 9.1606 9.1606 9.4284 9.4284 k = 0.4500-0.0726-0.0715 ( 8683 PWs) bands (ev): -13.8662 -13.8662 -13.6482 -13.6482 -12.4179 -12.4179 -12.3199 -12.3199 -12.2502 -12.2502 -11.9587 -11.9587 -10.1204 -10.1204 -9.5435 -9.5435 -3.7462 -3.7462 -3.3434 -3.3434 -3.0398 -3.0398 -2.8533 -2.8533 -1.6942 -1.6942 -1.2696 -1.2696 -0.7970 -0.7970 -0.5355 -0.5355 -0.2415 -0.2415 -0.1169 -0.1169 -0.0334 -0.0334 0.0035 0.0035 0.2749 0.2749 0.4671 0.4671 0.5843 0.5843 0.6737 0.6737 0.7356 0.7356 0.8204 0.8204 1.6188 1.6188 1.7869 1.7869 3.9454 3.9454 4.1654 4.1654 4.4505 4.4505 4.8564 4.8564 9.1772 9.1772 9.4214 9.4214 k = 0.4333-0.0700-0.0689 ( 8678 PWs) bands (ev): -13.8714 -13.8714 -13.6450 -13.6450 -12.4156 -12.4156 -12.3194 -12.3194 -12.2503 -12.2503 -11.9594 -11.9594 -10.1180 -10.1180 -9.5447 -9.5447 -3.7427 -3.7427 -3.3410 -3.3410 -3.0410 -3.0410 -2.8527 -2.8527 -1.6946 -1.6946 -1.2609 -1.2609 -0.7983 -0.7983 -0.5349 -0.5349 -0.2605 -0.2605 -0.1073 -0.1073 -0.0324 -0.0324 0.0119 0.0119 0.2660 0.2660 0.4623 0.4623 0.5848 0.5848 0.6703 0.6703 0.7305 0.7305 0.8167 0.8167 1.6114 1.6114 1.7804 1.7804 3.9492 3.9492 4.1798 4.1798 4.4533 4.4533 4.8589 4.8589 9.2000 9.2000 9.4073 9.4073 k = 0.4167-0.0673-0.0662 ( 8679 PWs) bands (ev): -13.8777 -13.8777 -13.6411 -13.6411 -12.4126 -12.4126 -12.3187 -12.3187 -12.2504 -12.2504 -11.9604 -11.9604 -10.1150 -10.1150 -9.5462 -9.5462 -3.7382 -3.7382 -3.3381 -3.3381 -3.0425 -3.0425 -2.8518 -2.8518 -1.6948 -1.6948 -1.2498 -1.2498 -0.7999 -0.7999 -0.5345 -0.5345 -0.2809 -0.2809 -0.0986 -0.0986 -0.0301 -0.0301 0.0204 0.0204 0.2556 0.2556 0.4565 0.4565 0.5840 0.5840 0.6658 0.6658 0.7250 0.7250 0.8122 0.8122 1.6021 1.6021 1.7720 1.7720 3.9542 3.9542 4.1974 4.1974 4.4571 4.4571 4.8621 4.8621 9.2285 9.2285 9.3823 9.3823 k = 0.4000-0.0646-0.0636 ( 8683 PWs) bands (ev): -13.8849 -13.8849 -13.6368 -13.6368 -12.4090 -12.4090 -12.3179 -12.3179 -12.2505 -12.2505 -11.9616 -11.9616 -10.1113 -10.1113 -9.5481 -9.5481 -3.7329 -3.7329 -3.3346 -3.3346 -3.0442 -3.0442 -2.8509 -2.8509 -1.6948 -1.6948 -1.2367 -1.2367 -0.8017 -0.8017 -0.5344 -0.5344 -0.3018 -0.3018 -0.0912 -0.0912 -0.0264 -0.0264 0.0280 0.0280 0.2446 0.2446 0.4501 0.4501 0.5812 0.5812 0.6600 0.6600 0.7198 0.7198 0.8072 0.8072 1.5912 1.5912 1.7620 1.7620 3.9604 3.9604 4.2177 4.2177 4.4620 4.4620 4.8661 4.8661 9.2613 9.2613 9.3444 9.3444 k = 0.3833-0.0619-0.0609 ( 8679 PWs) bands (ev): -13.8929 -13.8929 -13.6323 -13.6323 -12.4048 -12.4048 -12.3169 -12.3169 -12.2507 -12.2507 -11.9631 -11.9631 -10.1070 -10.1070 -9.5502 -9.5502 -3.7267 -3.7267 -3.3305 -3.3305 -3.0461 -3.0461 -2.8498 -2.8498 -1.6944 -1.6944 -1.2217 -1.2217 -0.8037 -0.8037 -0.5351 -0.5351 -0.3228 -0.3228 -0.0853 -0.0853 -0.0214 -0.0214 0.0337 0.0337 0.2340 0.2340 0.4431 0.4431 0.5759 0.5759 0.6529 0.6529 0.7157 0.7157 0.8019 0.8019 1.5787 1.5787 1.7502 1.7502 3.9677 3.9677 4.2403 4.2403 4.4683 4.4683 4.8709 4.8709 9.2760 9.2760 9.3159 9.3159 k = 0.3667-0.0592-0.0583 ( 8673 PWs) bands (ev): -13.9015 -13.9015 -13.6275 -13.6275 -12.4001 -12.4001 -12.3158 -12.3158 -12.2508 -12.2508 -11.9647 -11.9647 -10.1021 -10.1021 -9.5527 -9.5527 -3.7197 -3.7197 -3.3260 -3.3260 -3.0481 -3.0481 -2.8487 -2.8487 -1.6934 -1.6934 -1.2049 -1.2049 -0.8057 -0.8057 -0.5368 -0.5368 -0.3432 -0.3432 -0.0813 -0.0813 -0.0157 -0.0157 0.0365 0.0365 0.2253 0.2253 0.4357 0.4357 0.5680 0.5680 0.6445 0.6445 0.7127 0.7127 0.7967 0.7967 1.5650 1.5650 1.7369 1.7369 3.9759 3.9759 4.2646 4.2646 4.4759 4.4759 4.8765 4.8765 9.2208 9.2208 9.3513 9.3513 k = 0.3500-0.0565-0.0556 ( 8667 PWs) bands (ev): -13.9105 -13.9105 -13.6228 -13.6228 -12.3949 -12.3949 -12.3146 -12.3146 -12.2509 -12.2509 -11.9666 -11.9666 -10.0967 -10.0967 -9.5555 -9.5555 -3.7119 -3.7119 -3.3210 -3.3210 -3.0503 -3.0503 -2.8476 -2.8476 -1.6918 -1.6918 -1.1866 -1.1866 -0.8077 -0.8077 -0.5401 -0.5401 -0.3623 -0.3623 -0.0793 -0.0793 -0.0100 -0.0100 0.0361 0.0361 0.2196 0.2196 0.4282 0.4282 0.5574 0.5574 0.6350 0.6350 0.7110 0.7110 0.7917 0.7917 1.5502 1.5502 1.7223 1.7223 3.9848 3.9848 4.2901 4.2901 4.4852 4.4852 4.8831 4.8831 9.1515 9.1515 9.3973 9.3973 k = 0.3333-0.0538-0.0530 ( 8672 PWs) bands (ev): -13.9197 -13.9197 -13.6181 -13.6181 -12.3893 -12.3893 -12.3132 -12.3132 -12.2511 -12.2511 -11.9688 -11.9688 -10.0907 -10.0907 -9.5587 -9.5587 -3.7035 -3.7035 -3.3157 -3.3157 -3.0525 -3.0525 -2.8464 -2.8464 -1.6893 -1.6893 -1.1669 -1.1669 -0.8097 -0.8097 -0.5454 -0.5454 -0.3796 -0.3796 -0.0795 -0.0795 -0.0071 -0.0071 0.0342 0.0342 0.2177 0.2177 0.4207 0.4207 0.5444 0.5444 0.6246 0.6246 0.7101 0.7101 0.7871 0.7871 1.5347 1.5347 1.7063 1.7063 3.9943 3.9943 4.3161 4.3161 4.4961 4.4961 4.8906 4.8906 9.0776 9.0776 9.4460 9.4460 k = 0.3167-0.0511-0.0503 ( 8664 PWs) bands (ev): -13.9292 -13.9292 -13.6135 -13.6135 -12.3833 -12.3833 -12.3116 -12.3116 -12.2512 -12.2512 -11.9711 -11.9711 -10.0843 -10.0843 -9.5621 -9.5621 -3.6945 -3.6945 -3.3101 -3.3101 -3.0547 -3.0547 -2.8452 -2.8452 -1.6858 -1.6858 -1.1460 -1.1460 -0.8116 -0.8116 -0.5533 -0.5533 -0.3946 -0.3946 -0.0822 -0.0822 -0.0111 -0.0111 0.0349 0.0349 0.2195 0.2195 0.4137 0.4137 0.5294 0.5294 0.6135 0.6135 0.7099 0.7099 0.7830 0.7830 1.5185 1.5185 1.6894 1.6894 4.0040 4.0040 4.3423 4.3423 4.5088 4.5088 4.8992 4.8992 9.0015 9.0015 9.4946 9.4946 k = 0.3000-0.0484-0.0477 ( 8671 PWs) bands (ev): -13.9386 -13.9386 -13.6091 -13.6091 -12.3771 -12.3771 -12.3099 -12.3099 -12.2513 -12.2513 -11.9737 -11.9737 -10.0775 -10.0775 -9.5657 -9.5657 -3.6850 -3.6850 -3.3042 -3.3042 -3.0569 -3.0569 -2.8441 -2.8441 -1.6815 -1.6815 -1.1241 -1.1241 -0.8135 -0.8135 -0.5638 -0.5638 -0.4069 -0.4069 -0.0874 -0.0874 -0.0236 -0.0236 0.0404 0.0404 0.2243 0.2243 0.4076 0.4076 0.5127 0.5127 0.6021 0.6021 0.7098 0.7098 0.7793 0.7793 1.5021 1.5021 1.6717 1.6717 4.0137 4.0137 4.3683 4.3683 4.5232 4.5232 4.9089 4.9089 8.9248 8.9248 9.5400 9.5400 k = 0.2833-0.0457-0.0450 ( 8676 PWs) bands (ev): -13.9480 -13.9480 -13.6050 -13.6050 -12.3708 -12.3708 -12.3079 -12.3079 -12.2514 -12.2514 -11.9765 -11.9765 -10.0703 -10.0703 -9.5697 -9.5697 -3.6751 -3.6751 -3.2982 -3.2982 -3.0591 -3.0591 -2.8430 -2.8430 -1.6761 -1.6761 -1.1013 -1.1013 -0.8153 -0.8153 -0.5767 -0.5767 -0.4167 -0.4167 -0.0957 -0.0957 -0.0413 -0.0413 0.0485 0.0485 0.2312 0.2312 0.4028 0.4028 0.4948 0.4948 0.5904 0.5904 0.7099 0.7099 0.7760 0.7760 1.4856 1.4856 1.6535 1.6535 4.0232 4.0232 4.3936 4.3936 4.5390 4.5390 4.9199 4.9199 8.8483 8.8483 9.5774 9.5774 k = 0.2667-0.0430-0.0424 ( 8675 PWs) bands (ev): -13.9572 -13.9572 -13.6012 -13.6012 -12.3644 -12.3644 -12.3055 -12.3055 -12.2515 -12.2515 -11.9795 -11.9795 -10.0627 -10.0627 -9.5738 -9.5738 -3.6649 -3.6649 -3.2920 -3.2920 -3.0613 -3.0613 -2.8419 -2.8419 -1.6697 -1.6697 -1.0777 -1.0777 -0.8171 -0.8171 -0.5914 -0.5914 -0.4246 -0.4246 -0.1080 -0.1080 -0.0605 -0.0605 0.0572 0.0572 0.2393 0.2393 0.3996 0.3996 0.4762 0.4762 0.5787 0.5787 0.7099 0.7099 0.7730 0.7730 1.4692 1.4692 1.6350 1.6350 4.0323 4.0323 4.4181 4.4181 4.5559 4.5559 4.9322 4.9322 8.7731 8.7731 9.6031 9.6031 k = 0.2500-0.0404-0.0397 ( 8677 PWs) bands (ev): -13.9663 -13.9663 -13.5976 -13.5976 -12.3582 -12.3582 -12.3028 -12.3028 -12.2516 -12.2516 -11.9828 -11.9828 -10.0550 -10.0550 -9.5782 -9.5782 -3.6545 -3.6545 -3.2857 -3.2857 -3.0633 -3.0633 -2.8409 -2.8409 -1.6622 -1.6622 -1.0537 -1.0537 -0.8191 -0.8191 -0.6069 -0.6069 -0.4312 -0.4312 -0.1255 -0.1255 -0.0784 -0.0784 0.0655 0.0655 0.2481 0.2481 0.3978 0.3978 0.4577 0.4577 0.5671 0.5671 0.7097 0.7097 0.7701 0.7701 1.4531 1.4531 1.6165 1.6165 4.0408 4.0408 4.4416 4.4416 4.5737 4.5737 4.9457 4.9457 8.6996 8.6996 9.6180 9.6180 k = 0.2333-0.0377-0.0371 ( 8669 PWs) bands (ev): -13.9750 -13.9750 -13.5944 -13.5944 -12.3523 -12.3523 -12.2996 -12.2996 -12.2516 -12.2516 -11.9862 -11.9862 -10.0470 -10.0470 -9.5827 -9.5827 -3.6440 -3.6440 -3.2794 -3.2794 -3.0654 -3.0654 -2.8399 -2.8399 -1.6538 -1.6538 -1.0293 -1.0293 -0.8213 -0.8213 -0.6226 -0.6226 -0.4372 -0.4372 -0.1481 -0.1481 -0.0935 -0.0935 0.0723 0.0723 0.2572 0.2572 0.3963 0.3963 0.4411 0.4411 0.5556 0.5556 0.7093 0.7093 0.7672 0.7672 1.4375 1.4375 1.5983 1.5983 4.0486 4.0486 4.4641 4.4641 4.5917 4.5917 4.9605 4.9605 8.6286 8.6286 9.6258 9.6258 k = 0.2167-0.0350-0.0344 ( 8666 PWs) bands (ev): -13.9833 -13.9833 -13.5914 -13.5914 -12.3469 -12.3469 -12.2959 -12.2959 -12.2516 -12.2516 -11.9897 -11.9897 -10.0390 -10.0390 -9.5873 -9.5873 -3.6336 -3.6336 -3.2731 -3.2731 -3.0674 -3.0674 -2.8390 -2.8390 -1.6446 -1.6446 -1.0049 -1.0049 -0.8239 -0.8239 -0.6374 -0.6374 -0.4432 -0.4432 -0.1745 -0.1745 -0.1061 -0.1061 0.0771 0.0771 0.2665 0.2665 0.3910 0.3910 0.4308 0.4308 0.5444 0.5444 0.7085 0.7085 0.7642 0.7642 1.4225 1.4225 1.5807 1.5807 4.0556 4.0556 4.4855 4.4855 4.6097 4.6097 4.9765 4.9765 8.5603 8.5603 9.6291 9.6291 k = 0.2000-0.0323-0.0318 ( 8663 PWs) bands (ev): -13.9913 -13.9913 -13.5888 -13.5888 -12.3421 -12.3421 -12.2916 -12.2916 -12.2516 -12.2516 -11.9934 -11.9934 -10.0309 -10.0309 -9.5921 -9.5921 -3.6234 -3.6234 -3.2667 -3.2667 -3.0694 -3.0694 -2.8382 -2.8382 -1.6345 -1.6345 -0.9807 -0.9807 -0.8270 -0.8270 -0.6509 -0.6509 -0.4497 -0.4497 -0.2027 -0.2027 -0.1169 -0.1169 0.0794 0.0794 0.2760 0.2760 0.3785 0.3785 0.4305 0.4305 0.5335 0.5335 0.7073 0.7073 0.7610 0.7610 1.4083 1.4083 1.5638 1.5638 4.0619 4.0619 4.5057 4.5057 4.6272 4.6272 4.9934 4.9934 8.4954 8.4954 9.6293 9.6293 k = 0.1833-0.0296-0.0291 ( 8667 PWs) bands (ev): -13.9987 -13.9987 -13.5864 -13.5864 -12.3380 -12.3380 -12.2866 -12.2866 -12.2515 -12.2515 -11.9973 -11.9973 -10.0229 -10.0229 -9.5968 -9.5968 -3.6134 -3.6134 -3.2605 -3.2605 -3.0713 -3.0713 -2.8373 -2.8373 -1.6238 -1.6238 -0.9569 -0.9569 -0.8308 -0.8308 -0.6623 -0.6623 -0.4570 -0.4570 -0.2316 -0.2316 -0.1263 -0.1263 0.0787 0.0787 0.2858 0.2858 0.3620 0.3620 0.4372 0.4372 0.5230 0.5230 0.7054 0.7054 0.7578 0.7578 1.3950 1.3950 1.5478 1.5478 4.0674 4.0674 4.5246 4.5246 4.6441 4.6441 5.0109 5.0109 8.4340 8.4340 9.6270 9.6270 k = 0.1667-0.0269-0.0265 ( 8675 PWs) bands (ev): -14.0057 -14.0057 -13.5843 -13.5843 -12.3346 -12.3346 -12.2812 -12.2812 -12.2515 -12.2515 -12.0011 -12.0011 -10.0151 -10.0151 -9.6016 -9.6016 -3.6039 -3.6039 -3.2543 -3.2543 -3.0734 -3.0734 -2.8366 -2.8366 -1.6127 -1.6127 -0.9342 -0.9342 -0.8351 -0.8351 -0.6715 -0.6715 -0.4650 -0.4650 -0.2603 -0.2603 -0.1342 -0.1342 0.0750 0.0750 0.2955 0.2955 0.3450 0.3450 0.4474 0.4474 0.5129 0.5129 0.7027 0.7027 0.7545 0.7545 1.3826 1.3826 1.5330 1.5330 4.0721 4.0721 4.5419 4.5419 4.6601 4.6601 5.0288 5.0288 8.3767 8.3767 9.6192 9.6192 k = 0.1500-0.0242-0.0238 ( 8670 PWs) bands (ev): -14.0121 -14.0121 -13.5825 -13.5825 -12.3318 -12.3318 -12.2754 -12.2754 -12.2514 -12.2514 -12.0050 -12.0050 -10.0075 -10.0075 -9.6063 -9.6063 -3.5950 -3.5950 -3.2483 -3.2483 -3.0754 -3.0754 -2.8358 -2.8358 -1.6014 -1.6014 -0.9131 -0.9131 -0.8393 -0.8393 -0.6784 -0.6784 -0.4738 -0.4738 -0.2879 -0.2879 -0.1407 -0.1407 0.0684 0.0684 0.3038 0.3038 0.3305 0.3305 0.4595 0.4595 0.5036 0.5036 0.6990 0.6990 0.7512 0.7512 1.3712 1.3712 1.5195 1.5195 4.0762 4.0762 4.5576 4.5576 4.6753 4.6753 5.0465 5.0465 8.3237 8.3237 9.5939 9.5939 k = 0.1333-0.0215-0.0212 ( 8671 PWs) bands (ev): -14.0179 -14.0179 -13.5809 -13.5809 -12.3296 -12.3296 -12.2696 -12.2696 -12.2512 -12.2512 -12.0088 -12.0088 -10.0003 -10.0003 -9.6108 -9.6108 -3.5866 -3.5866 -3.2425 -3.2425 -3.0775 -3.0775 -2.8351 -2.8351 -1.5901 -1.5901 -0.8954 -0.8954 -0.8417 -0.8417 -0.6833 -0.6833 -0.4831 -0.4831 -0.3137 -0.3137 -0.1460 -0.1460 0.0593 0.0593 0.3029 0.3029 0.3266 0.3266 0.4715 0.4715 0.4962 0.4962 0.6941 0.6941 0.7482 0.7482 1.3610 1.3610 1.5074 1.5074 4.0796 4.0796 4.5715 4.5715 4.6895 4.6895 5.0638 5.0638 8.2754 8.2754 9.5623 9.5623 k = 0.1167-0.0188-0.0185 ( 8679 PWs) bands (ev): -14.0232 -14.0232 -13.5795 -13.5795 -12.3279 -12.3279 -12.2638 -12.2638 -12.2511 -12.2511 -12.0125 -12.0125 -9.9936 -9.9936 -9.6150 -9.6150 -3.5791 -3.5791 -3.2369 -3.2369 -3.0797 -3.0797 -2.8344 -2.8344 -1.5791 -1.5791 -0.8842 -0.8842 -0.8391 -0.8391 -0.6869 -0.6869 -0.4927 -0.4927 -0.3369 -0.3369 -0.1503 -0.1503 0.0483 0.0483 0.2920 0.2920 0.3344 0.3344 0.4760 0.4760 0.4977 0.4977 0.6879 0.6879 0.7455 0.7455 1.3518 1.3518 1.4968 1.4968 4.0825 4.0825 4.5836 4.5836 4.7026 4.7026 5.0801 5.0801 8.2320 8.2320 9.5318 9.5318 k = 0.1000-0.0161-0.0159 ( 8684 PWs) bands (ev): -14.0277 -14.0277 -13.5784 -13.5784 -12.3265 -12.3265 -12.2584 -12.2584 -12.2507 -12.2507 -12.0160 -12.0160 -9.9875 -9.9875 -9.6189 -9.6189 -3.5723 -3.5723 -3.2316 -3.2316 -3.0818 -3.0818 -2.8338 -2.8338 -1.5686 -1.5686 -0.8816 -0.8816 -0.8292 -0.8292 -0.6899 -0.6899 -0.5022 -0.5022 -0.3568 -0.3568 -0.1537 -0.1537 0.0361 0.0361 0.2803 0.2803 0.3447 0.3447 0.4703 0.4703 0.5104 0.5104 0.6802 0.6802 0.7433 0.7433 1.3438 1.3438 1.4876 1.4876 4.0849 4.0849 4.5938 4.5938 4.7146 4.7146 5.0951 5.0951 8.1938 8.1938 9.5040 9.5040 k = 0.0833-0.0135-0.0132 ( 8680 PWs) bands (ev): -14.0316 -14.0316 -13.5775 -13.5775 -12.3255 -12.3255 -12.2541 -12.2541 -12.2498 -12.2498 -12.0192 -12.0192 -9.9820 -9.9820 -9.6225 -9.6225 -3.5665 -3.5665 -3.2268 -3.2268 -3.0839 -3.0839 -2.8333 -2.8333 -1.5591 -1.5591 -0.8840 -0.8840 -0.8150 -0.8150 -0.6932 -0.6932 -0.5113 -0.5113 -0.3730 -0.3730 -0.1567 -0.1567 0.0238 0.0238 0.2700 0.2700 0.3552 0.3552 0.4624 0.4624 0.5260 0.5260 0.6711 0.6711 0.7415 0.7415 1.3370 1.3370 1.4798 1.4798 4.0868 4.0868 4.6023 4.6023 4.7251 4.7251 5.1085 5.1085 8.1611 8.1611 9.4796 9.4796 k = 0.0667-0.0108-0.0106 ( 8680 PWs) bands (ev): -14.0348 -14.0348 -13.5767 -13.5767 -12.3247 -12.3247 -12.2522 -12.2522 -12.2472 -12.2472 -12.0220 -12.0220 -9.9774 -9.9774 -9.6255 -9.6255 -3.5617 -3.5617 -3.2226 -3.2226 -3.0858 -3.0858 -2.8328 -2.8328 -1.5508 -1.5508 -0.8879 -0.8879 -0.8000 -0.8000 -0.6974 -0.6974 -0.5196 -0.5196 -0.3850 -0.3850 -0.1594 -0.1594 0.0122 0.0122 0.2613 0.2613 0.3655 0.3655 0.4543 0.4543 0.5423 0.5423 0.6606 0.6606 0.7401 0.7401 1.3314 1.3314 1.4736 1.4736 4.0882 4.0882 4.6090 4.6090 4.7341 4.7341 5.1198 5.1198 8.1340 8.1340 9.4592 9.4592 k = 0.0500-0.0081-0.0079 ( 8681 PWs) bands (ev): -14.0374 -14.0374 -13.5761 -13.5761 -12.3241 -12.3241 -12.2517 -12.2517 -12.2440 -12.2440 -12.0243 -12.0243 -9.9737 -9.9737 -9.6279 -9.6279 -3.5579 -3.5579 -3.2191 -3.2191 -3.0875 -3.0875 -2.8324 -2.8324 -1.5439 -1.5439 -0.8917 -0.8917 -0.7855 -0.7855 -0.7029 -0.7029 -0.5266 -0.5266 -0.3933 -0.3933 -0.1617 -0.1617 0.0022 0.0022 0.2545 0.2545 0.3750 0.3750 0.4465 0.4465 0.5588 0.5588 0.6489 0.6489 0.7390 0.7390 1.3270 1.3270 1.4688 1.4688 4.0894 4.0894 4.6141 4.6141 4.7413 4.7413 5.1289 5.1289 8.1128 8.1128 9.4430 9.4430 k = 0.0333-0.0054-0.0053 ( 8681 PWs) bands (ev): -14.0392 -14.0392 -13.5757 -13.5757 -12.3237 -12.3237 -12.2515 -12.2515 -12.2414 -12.2414 -12.0261 -12.0261 -9.9710 -9.9710 -9.6298 -9.6298 -3.5551 -3.5551 -3.2164 -3.2164 -3.0888 -3.0888 -2.8321 -2.8321 -1.5388 -1.5388 -0.8947 -0.8947 -0.7723 -0.7723 -0.7095 -0.7095 -0.5320 -0.5320 -0.3982 -0.3982 -0.1638 -0.1638 -0.0054 -0.0054 0.2496 0.2496 0.3834 0.3834 0.4395 0.4395 0.5750 0.5750 0.6361 0.6361 0.7383 0.7383 1.3238 1.3238 1.4654 1.4654 4.0901 4.0901 4.6176 4.6176 4.7466 4.7466 5.1356 5.1356 8.0975 8.0975 9.4313 9.4313 k = 0.0167-0.0027-0.0026 ( 8687 PWs) bands (ev): -14.0403 -14.0403 -13.5755 -13.5755 -12.3235 -12.3235 -12.2514 -12.2514 -12.2398 -12.2398 -12.0271 -12.0271 -9.9693 -9.9693 -9.6309 -9.6309 -3.5535 -3.5535 -3.2148 -3.2148 -3.0897 -3.0897 -2.8319 -2.8319 -1.5357 -1.5357 -0.8966 -0.8966 -0.7620 -0.7620 -0.7160 -0.7160 -0.5353 -0.5353 -0.4008 -0.4008 -0.1652 -0.1652 -0.0102 -0.0102 0.2466 0.2466 0.3896 0.3896 0.4341 0.4341 0.5907 0.5907 0.6226 0.6226 0.7379 0.7379 1.3219 1.3219 1.4633 1.4633 4.0906 4.0906 4.6197 4.6197 4.7499 4.7499 5.1396 5.1396 8.0883 8.0883 9.4242 9.4242 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -14.0406 -14.0406 -13.5754 -13.5754 -12.3234 -12.3234 -12.2514 -12.2514 -12.2392 -12.2392 -12.0275 -12.0275 -9.9688 -9.9688 -9.6312 -9.6312 -3.5529 -3.5529 -3.2142 -3.2142 -3.0899 -3.0899 -2.8319 -2.8319 -1.5346 -1.5346 -0.8972 -0.8972 -0.7576 -0.7576 -0.7191 -0.7191 -0.5365 -0.5365 -0.4015 -0.4015 -0.1657 -0.1657 -0.0118 -0.0118 0.2457 0.2457 0.3920 0.3920 0.4319 0.4319 0.6020 0.6020 0.6120 0.6120 0.7377 0.7377 1.3213 1.3213 1.4627 1.4627 4.0907 4.0907 4.6204 4.6204 4.7510 4.7510 5.1410 5.1410 8.0852 8.0852 9.4218 9.4218 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -14.0406 -14.0406 -13.5754 -13.5754 -12.3234 -12.3234 -12.2514 -12.2514 -12.2392 -12.2392 -12.0275 -12.0275 -9.9688 -9.9688 -9.6312 -9.6312 -3.5529 -3.5529 -3.2142 -3.2142 -3.0899 -3.0899 -2.8319 -2.8319 -1.5346 -1.5346 -0.8972 -0.8972 -0.7576 -0.7576 -0.7191 -0.7191 -0.5365 -0.5365 -0.4015 -0.4015 -0.1657 -0.1657 -0.0118 -0.0118 0.2457 0.2457 0.3920 0.3920 0.4319 0.4319 0.6020 0.6020 0.6120 0.6120 0.7377 0.7377 1.3213 1.3213 1.4627 1.4627 4.0907 4.0907 4.6204 4.6204 4.7510 4.7510 5.1410 5.1410 8.0852 8.0852 9.4218 9.4218 k = 0.0000 0.0162-0.0048 ( 8688 PWs) bands (ev): -14.0403 -14.0403 -13.5755 -13.5755 -12.3233 -12.3233 -12.2522 -12.2522 -12.2393 -12.2393 -12.0273 -12.0273 -9.9689 -9.9689 -9.6307 -9.6307 -3.5534 -3.5534 -3.2149 -3.2149 -3.0909 -3.0909 -2.8324 -2.8324 -1.5350 -1.5350 -0.8975 -0.8975 -0.7601 -0.7601 -0.7152 -0.7152 -0.5348 -0.5348 -0.4013 -0.4013 -0.1636 -0.1636 -0.0100 -0.0100 0.2449 0.2449 0.3906 0.3906 0.4307 0.4307 0.6030 0.6030 0.6144 0.6144 0.7370 0.7370 1.3214 1.3214 1.4627 1.4627 4.0893 4.0893 4.6185 4.6185 4.7496 4.7496 5.1396 5.1396 8.0876 8.0876 9.4240 9.4240 k = 0.0000 0.0324-0.0096 ( 8685 PWs) bands (ev): -14.0394 -14.0394 -13.5755 -13.5755 -12.3231 -12.3231 -12.2544 -12.2544 -12.2397 -12.2397 -12.0266 -12.0266 -9.9694 -9.9694 -9.6293 -9.6293 -3.5547 -3.5547 -3.2169 -3.2169 -3.0937 -3.0937 -2.8339 -2.8339 -1.5362 -1.5362 -0.8981 -0.8981 -0.7652 -0.7652 -0.7058 -0.7058 -0.5296 -0.5296 -0.4005 -0.4005 -0.1574 -0.1574 -0.0045 -0.0045 0.2426 0.2426 0.3869 0.3869 0.4268 0.4268 0.6069 0.6069 0.6205 0.6205 0.7350 0.7350 1.3216 1.3216 1.4629 1.4629 4.0850 4.0850 4.6127 4.6127 4.7456 4.7456 5.1353 5.1353 8.0950 8.0950 9.4307 9.4307 k = 0.0000 0.0486-0.0145 ( 8683 PWs) bands (ev): -14.0379 -14.0379 -13.5756 -13.5756 -12.3227 -12.3227 -12.2581 -12.2581 -12.2404 -12.2404 -12.0254 -12.0254 -9.9702 -9.9702 -9.6269 -9.6269 -3.5570 -3.5570 -3.2203 -3.2203 -3.0983 -3.0983 -2.8365 -2.8365 -1.5381 -1.5381 -0.8994 -0.8994 -0.7700 -0.7700 -0.6937 -0.6937 -0.5211 -0.5211 -0.3985 -0.3985 -0.1478 -0.1478 0.0045 0.0045 0.2384 0.2384 0.3824 0.3824 0.4202 0.4202 0.6141 0.6141 0.6288 0.6288 0.7320 0.7320 1.3220 1.3220 1.4632 1.4632 4.0779 4.0779 4.6031 4.6031 4.7390 4.7390 5.1282 5.1282 8.1072 8.1072 9.4413 9.4413 k = 0.0000 0.0648-0.0193 ( 8676 PWs) bands (ev): -14.0357 -14.0357 -13.5757 -13.5757 -12.3222 -12.3222 -12.2629 -12.2629 -12.2414 -12.2414 -12.0238 -12.0238 -9.9713 -9.9713 -9.6236 -9.6236 -3.5601 -3.5601 -3.2248 -3.2248 -3.1046 -3.1046 -2.8400 -2.8400 -1.5408 -1.5408 -0.9015 -0.9015 -0.7731 -0.7731 -0.6803 -0.6803 -0.5097 -0.5097 -0.3949 -0.3949 -0.1355 -0.1355 0.0170 0.0170 0.2321 0.2321 0.3780 0.3780 0.4116 0.4116 0.6232 0.6232 0.6385 0.6385 0.7285 0.7285 1.3224 1.3224 1.4637 1.4637 4.0680 4.0680 4.5900 4.5900 4.7296 4.7296 5.1185 5.1185 8.1242 8.1242 9.4554 9.4554 k = 0.0000 0.0810-0.0241 ( 8678 PWs) bands (ev): -14.0330 -14.0330 -13.5759 -13.5759 -12.3216 -12.3216 -12.2689 -12.2689 -12.2427 -12.2427 -12.0218 -12.0218 -9.9727 -9.9727 -9.6194 -9.6194 -3.5640 -3.5640 -3.2306 -3.2306 -3.1126 -3.1126 -2.8445 -2.8445 -1.5442 -1.5442 -0.9044 -0.9044 -0.7735 -0.7735 -0.6662 -0.6662 -0.4957 -0.4957 -0.3889 -0.3889 -0.1211 -0.1211 0.0327 0.0327 0.2236 0.2236 0.3737 0.3737 0.4027 0.4027 0.6314 0.6314 0.6507 0.6507 0.7254 0.7254 1.3230 1.3230 1.4642 1.4642 4.0556 4.0556 4.5735 4.5735 4.7176 4.7176 5.1061 5.1061 8.1457 8.1457 9.4714 9.4714 k = 0.0000 0.0972-0.0289 ( 8677 PWs) bands (ev): -14.0297 -14.0297 -13.5760 -13.5760 -12.3212 -12.3212 -12.2760 -12.2760 -12.2442 -12.2442 -12.0195 -12.0195 -9.9744 -9.9744 -9.6144 -9.6144 -3.5687 -3.5687 -3.2374 -3.2374 -3.1220 -3.1220 -2.8499 -2.8499 -1.5482 -1.5482 -0.9085 -0.9085 -0.7707 -0.7707 -0.6520 -0.6520 -0.4794 -0.4794 -0.3801 -0.3801 -0.1055 -0.1055 0.0513 0.0513 0.2133 0.2133 0.3673 0.3673 0.3972 0.3972 0.6359 0.6359 0.6653 0.6653 0.7239 0.7239 1.3235 1.3235 1.4650 1.4650 4.0406 4.0406 4.5538 4.5538 4.7031 4.7031 5.0914 5.0914 8.1716 8.1716 9.4869 9.4869 k = 0.0000 0.1134-0.0338 ( 8669 PWs) bands (ev): -14.0259 -14.0259 -13.5763 -13.5763 -12.3209 -12.3209 -12.2840 -12.2840 -12.2458 -12.2458 -12.0169 -12.0169 -9.9763 -9.9763 -9.6087 -9.6087 -3.5740 -3.5740 -3.2451 -3.2451 -3.1328 -3.1328 -2.8562 -2.8562 -1.5529 -1.5529 -0.9137 -0.9137 -0.7646 -0.7646 -0.6379 -0.6379 -0.4611 -0.4611 -0.3683 -0.3683 -0.0892 -0.0892 0.0718 0.0718 0.2018 0.2018 0.3572 0.3572 0.3974 0.3974 0.6358 0.6358 0.6806 0.6806 0.7261 0.7261 1.3241 1.3241 1.4660 1.4660 4.0234 4.0234 4.5313 4.5313 4.6860 4.6860 5.0744 5.0744 8.2016 8.2016 9.4984 9.4984 k = 0.0000 0.1296-0.0386 ( 8673 PWs) bands (ev): -14.0216 -14.0216 -13.5765 -13.5765 -12.3211 -12.3211 -12.2927 -12.2927 -12.2472 -12.2472 -12.0140 -12.0140 -9.9785 -9.9785 -9.6023 -9.6023 -3.5800 -3.5800 -3.2537 -3.2537 -3.1448 -3.1448 -2.8633 -2.8633 -1.5580 -1.5580 -0.9200 -0.9200 -0.7552 -0.7552 -0.6238 -0.6238 -0.4411 -0.4411 -0.3534 -0.3534 -0.0725 -0.0725 0.0928 0.0928 0.1903 0.1903 0.3452 0.3452 0.4024 0.4024 0.6314 0.6314 0.6940 0.6940 0.7339 0.7339 1.3246 1.3246 1.4671 1.4671 4.0040 4.0040 4.5062 4.5062 4.6665 4.6665 5.0553 5.0553 8.2356 8.2356 9.5031 9.5031 k = 0.0000 0.1458-0.0434 ( 8668 PWs) bands (ev): -14.0168 -14.0168 -13.5767 -13.5767 -12.3223 -12.3223 -12.3016 -12.3016 -12.2485 -12.2485 -12.0109 -12.0109 -9.9809 -9.9809 -9.5953 -9.5953 -3.5866 -3.5866 -3.2630 -3.2630 -3.1578 -3.1578 -2.8712 -2.8712 -1.5635 -1.5635 -0.9271 -0.9271 -0.7426 -0.7426 -0.6099 -0.6099 -0.4196 -0.4196 -0.3359 -0.3359 -0.0558 -0.0558 0.1113 0.1113 0.1813 0.1813 0.3335 0.3335 0.4106 0.4106 0.6235 0.6235 0.7036 0.7036 0.7478 0.7478 1.3250 1.3250 1.4684 1.4684 3.9827 3.9827 4.4787 4.4787 4.6448 4.6448 5.0343 5.0343 8.2731 8.2731 9.5015 9.5015 k = 0.0000 0.1620-0.0482 ( 8671 PWs) bands (ev): -14.0116 -14.0116 -13.5770 -13.5770 -12.3258 -12.3258 -12.3093 -12.3093 -12.2494 -12.2494 -12.0077 -12.0077 -9.9835 -9.9835 -9.5878 -9.5878 -3.5936 -3.5936 -3.2728 -3.2728 -3.1716 -3.1716 -2.8797 -2.8797 -1.5693 -1.5693 -0.9350 -0.9350 -0.7271 -0.7271 -0.5958 -0.5958 -0.3967 -0.3967 -0.3162 -0.3162 -0.0392 -0.0392 0.1214 0.1214 0.1796 0.1796 0.3240 0.3240 0.4210 0.4210 0.6134 0.6134 0.7103 0.7103 0.7660 0.7660 1.3254 1.3254 1.4699 1.4699 3.9597 3.9597 4.4493 4.4493 4.6212 4.6212 5.0116 5.0116 8.3137 8.3137 9.4952 9.4952 k = 0.0000 0.1782-0.0531 ( 8667 PWs) bands (ev): -14.0060 -14.0060 -13.5773 -13.5773 -12.3333 -12.3333 -12.3142 -12.3142 -12.2498 -12.2498 -12.0043 -12.0043 -9.9862 -9.9862 -9.5799 -9.5799 -3.6011 -3.6011 -3.2830 -3.2830 -3.1861 -3.1861 -2.8888 -2.8888 -1.5752 -1.5752 -0.9435 -0.9435 -0.7091 -0.7091 -0.5815 -0.5815 -0.3729 -0.3729 -0.2952 -0.2952 -0.0232 -0.0232 0.1196 0.1196 0.1873 0.1873 0.3183 0.3183 0.4331 0.4331 0.6024 0.6024 0.7152 0.7152 0.7863 0.7863 1.3257 1.3257 1.4715 1.4715 3.9353 3.9353 4.4182 4.4182 4.5958 4.5958 4.9875 4.9875 8.3572 8.3572 9.4856 9.4856 k = 0.0000 0.1944-0.0579 ( 8668 PWs) bands (ev): -14.0000 -14.0000 -13.5776 -13.5776 -12.3439 -12.3439 -12.3170 -12.3170 -12.2496 -12.2496 -12.0010 -12.0010 -9.9890 -9.9890 -9.5716 -9.5716 -3.6088 -3.6088 -3.2935 -3.2935 -3.2010 -3.2010 -2.8983 -2.8983 -1.5810 -1.5810 -0.9523 -0.9523 -0.6890 -0.6890 -0.5668 -0.5668 -0.3485 -0.3485 -0.2734 -0.2734 -0.0079 -0.0079 0.1113 0.1113 0.1976 0.1976 0.3180 0.3180 0.4464 0.4464 0.5918 0.5918 0.7188 0.7188 0.8074 0.8074 1.3259 1.3259 1.4732 1.4732 3.9098 3.9098 4.3858 4.3858 4.5690 4.5690 4.9622 4.9622 8.4031 8.4031 9.4736 9.4736 k = 0.0000 0.2106-0.0627 ( 8668 PWs) bands (ev): -13.9938 -13.9938 -13.5779 -13.5779 -12.3560 -12.3560 -12.3194 -12.3194 -12.2489 -12.2489 -11.9976 -11.9976 -9.9920 -9.9920 -9.5632 -9.5632 -3.6168 -3.6168 -3.3041 -3.3041 -3.2162 -3.2162 -2.9083 -2.9083 -1.5868 -1.5868 -0.9613 -0.9613 -0.6670 -0.6670 -0.5513 -0.5513 -0.3242 -0.3242 -0.2515 -0.2515 0.0061 0.0061 0.1016 0.1016 0.2054 0.2054 0.3228 0.3228 0.4607 0.4607 0.5834 0.5834 0.7212 0.7212 0.8286 0.8286 1.3262 1.3262 1.4751 1.4751 3.8833 3.8833 4.3523 4.3523 4.5412 4.5412 4.9358 4.9358 8.4508 8.4508 9.4597 9.4597 k = 0.0000 0.2268-0.0675 ( 8669 PWs) bands (ev): -13.9873 -13.9873 -13.5782 -13.5782 -12.3688 -12.3688 -12.3217 -12.3217 -12.2476 -12.2476 -11.9942 -11.9942 -9.9950 -9.9950 -9.5546 -9.5546 -3.6249 -3.6249 -3.3147 -3.3147 -3.2315 -3.2315 -2.9185 -2.9185 -1.5923 -1.5923 -0.9704 -0.9704 -0.6436 -0.6436 -0.5351 -0.5351 -0.3008 -0.3008 -0.2297 -0.2297 0.0180 0.0180 0.0931 0.0931 0.2103 0.2103 0.3300 0.3300 0.4756 0.4756 0.5786 0.5786 0.7225 0.7225 0.8496 0.8496 1.3265 1.3265 1.4769 1.4769 3.8563 3.8563 4.3182 4.3182 4.5125 4.5125 4.9086 4.9086 8.4999 8.4999 9.4441 9.4441 k = 0.0000 0.2430-0.0723 ( 8668 PWs) bands (ev): -13.9807 -13.9807 -13.5785 -13.5785 -12.3820 -12.3820 -12.3242 -12.3242 -12.2458 -12.2458 -11.9910 -11.9910 -9.9980 -9.9980 -9.5459 -9.5459 -3.6330 -3.6330 -3.3251 -3.3251 -3.2468 -3.2468 -2.9288 -2.9288 -1.5975 -1.5975 -0.9796 -0.9796 -0.6192 -0.6192 -0.5179 -0.5179 -0.2797 -0.2797 -0.2080 -0.2080 0.0263 0.0263 0.0879 0.0879 0.2146 0.2146 0.3357 0.3357 0.4911 0.4911 0.5793 0.5793 0.7227 0.7227 0.8702 0.8702 1.3269 1.3269 1.4788 1.4788 3.8289 3.8289 4.2837 4.2837 4.4835 4.4835 4.8809 4.8809 8.5496 8.5496 9.4272 9.4272 k = 0.0000 0.2592-0.0772 ( 8664 PWs) bands (ev): -13.9740 -13.9740 -13.5788 -13.5788 -12.3954 -12.3954 -12.3270 -12.3270 -12.2436 -12.2436 -11.9878 -11.9878 -10.0010 -10.0010 -9.5374 -9.5374 -3.6411 -3.6411 -3.3352 -3.3352 -3.2619 -3.2619 -2.9392 -2.9392 -1.6023 -1.6023 -0.9886 -0.9886 -0.5942 -0.5942 -0.4997 -0.4997 -0.2622 -0.2622 -0.1860 -0.1860 0.0295 0.0295 0.0875 0.0875 0.2204 0.2204 0.3370 0.3370 0.5072 0.5072 0.5860 0.5860 0.7218 0.7218 0.8900 0.8900 1.3274 1.3274 1.4805 1.4805 3.8015 3.8015 4.2491 4.2491 4.4545 4.4545 4.8529 4.8529 8.5995 8.5995 9.4095 9.4095 k = 0.0000 0.2754-0.0820 ( 8654 PWs) bands (ev): -13.9673 -13.9673 -13.5792 -13.5792 -12.4087 -12.4087 -12.3298 -12.3298 -12.2412 -12.2412 -11.9848 -11.9848 -10.0041 -10.0041 -9.5289 -9.5289 -3.6491 -3.6491 -3.3450 -3.3450 -3.2767 -3.2767 -2.9495 -2.9495 -1.6066 -1.6066 -0.9975 -0.9975 -0.5688 -0.5688 -0.4804 -0.4804 -0.2494 -0.2494 -0.1634 -0.1634 0.0277 0.0277 0.0918 0.0918 0.2289 0.2289 0.3330 0.3330 0.5238 0.5238 0.5985 0.5985 0.7198 0.7198 0.9089 0.9089 1.3282 1.3282 1.4822 1.4822 3.7744 3.7744 4.2150 4.2150 4.4259 4.4259 4.8249 4.8249 8.6487 8.6487 9.3915 9.3915 k = 0.0000 0.2916-0.0868 ( 8652 PWs) bands (ev): -13.9606 -13.9606 -13.5795 -13.5795 -12.4218 -12.4218 -12.3327 -12.3327 -12.2385 -12.2385 -11.9819 -11.9819 -10.0070 -10.0070 -9.5208 -9.5208 -3.6569 -3.6569 -3.3543 -3.3543 -3.2910 -3.2910 -2.9596 -2.9596 -1.6105 -1.6105 -1.0061 -1.0061 -0.5435 -0.5435 -0.4602 -0.4602 -0.2415 -0.2415 -0.1403 -0.1403 0.0224 0.0224 0.0991 0.0991 0.2404 0.2404 0.3247 0.3247 0.5406 0.5406 0.6152 0.6152 0.7169 0.7169 0.9268 0.9268 1.3292 1.3292 1.4837 1.4837 3.7479 3.7479 4.1814 4.1814 4.3980 4.3980 4.7970 4.7970 8.6965 8.6965 9.3736 9.3736 k = 0.0000 0.3078-0.0916 ( 8651 PWs) bands (ev): -13.9541 -13.9541 -13.5797 -13.5797 -12.4346 -12.4346 -12.3356 -12.3356 -12.2356 -12.2356 -11.9792 -11.9792 -10.0098 -10.0098 -9.5129 -9.5129 -3.6643 -3.6643 -3.3630 -3.3630 -3.3047 -3.3047 -2.9694 -2.9694 -1.6138 -1.6138 -1.0143 -1.0143 -0.5187 -0.5187 -0.4391 -0.4391 -0.2379 -0.2379 -0.1174 -0.1174 0.0155 0.0155 0.1073 0.1073 0.2539 0.2539 0.3147 0.3147 0.5569 0.5569 0.6345 0.6345 0.7132 0.7132 0.9436 0.9436 1.3304 1.3304 1.4849 1.4849 3.7223 3.7223 4.1489 4.1489 4.3711 4.3711 4.7697 4.7697 8.7420 8.7420 9.3566 9.3566 k = 0.0000 0.3240-0.0965 ( 8654 PWs) bands (ev): -13.9478 -13.9478 -13.5800 -13.5800 -12.4468 -12.4468 -12.3384 -12.3384 -12.2328 -12.2328 -11.9767 -11.9767 -10.0125 -10.0125 -9.5055 -9.5055 -3.6714 -3.6714 -3.3710 -3.3710 -3.3178 -3.3178 -2.9788 -2.9788 -1.6167 -1.6167 -1.0222 -1.0222 -0.4946 -0.4946 -0.4172 -0.4172 -0.2376 -0.2376 -0.0958 -0.0958 0.0079 0.0079 0.1154 0.1154 0.2650 0.2650 0.3086 0.3086 0.5724 0.5724 0.6545 0.6545 0.7092 0.7092 0.9591 0.9591 1.3320 1.3320 1.4860 1.4860 3.6979 3.6979 4.1176 4.1176 4.3457 4.3457 4.7432 4.7432 8.7843 8.7843 9.3410 9.3410 k = 0.0000 0.3403-0.1013 ( 8658 PWs) bands (ev): -13.9418 -13.9418 -13.5803 -13.5803 -12.4584 -12.4584 -12.3411 -12.3411 -12.2300 -12.2300 -11.9744 -11.9744 -10.0151 -10.0151 -9.4985 -9.4985 -3.6781 -3.6781 -3.3783 -3.3783 -3.3300 -3.3300 -2.9876 -2.9876 -1.6190 -1.6190 -1.0296 -1.0296 -0.4715 -0.4715 -0.3947 -0.3947 -0.2396 -0.2396 -0.0765 -0.0765 -0.0000 -0.0000 0.1229 0.1229 0.2647 0.2647 0.3161 0.3161 0.5863 0.5863 0.6728 0.6728 0.7064 0.7064 0.9732 0.9732 1.3338 1.3338 1.4867 1.4867 3.6750 3.6750 4.0881 4.0881 4.3219 4.3219 4.7179 4.7179 8.8227 8.8227 9.3273 9.3273 k = 0.0000 0.3565-0.1061 ( 8655 PWs) bands (ev): -13.9361 -13.9361 -13.5805 -13.5805 -12.4692 -12.4692 -12.3436 -12.3436 -12.2273 -12.2273 -11.9723 -11.9723 -10.0175 -10.0175 -9.4920 -9.4920 -3.6843 -3.6843 -3.3848 -3.3848 -3.3414 -3.3414 -2.9958 -2.9958 -1.6210 -1.6210 -1.0365 -1.0365 -0.4499 -0.4499 -0.3720 -0.3720 -0.2427 -0.2427 -0.0608 -0.0608 -0.0078 -0.0078 0.1297 0.1297 0.2555 0.2555 0.3352 0.3352 0.5979 0.5979 0.6839 0.6839 0.7099 0.7099 0.9860 0.9860 1.3360 1.3360 1.4872 1.4872 3.6537 3.6537 4.0604 4.0604 4.3001 4.3001 4.6940 4.6940 8.8565 8.8565 9.3160 9.3160 k = 0.0000 0.3727-0.1109 ( 8656 PWs) bands (ev): -13.9309 -13.9309 -13.5807 -13.5807 -12.4791 -12.4791 -12.3459 -12.3459 -12.2248 -12.2248 -11.9705 -11.9705 -10.0196 -10.0196 -9.4862 -9.4862 -3.6898 -3.6898 -3.3904 -3.3904 -3.3519 -3.3519 -3.0032 -3.0032 -1.6225 -1.6225 -1.0427 -1.0427 -0.4300 -0.4300 -0.3494 -0.3494 -0.2459 -0.2459 -0.0499 -0.0499 -0.0150 -0.0150 0.1359 0.1359 0.2451 0.2451 0.3587 0.3587 0.6060 0.6060 0.6851 0.6851 0.7228 0.7228 0.9972 0.9972 1.3383 1.3383 1.4874 1.4874 3.6345 3.6345 4.0351 4.0351 4.2805 4.2805 4.6718 4.6718 8.8850 8.8850 9.3074 9.3074 k = 0.0000 0.3889-0.1157 ( 8660 PWs) bands (ev): -13.9262 -13.9262 -13.5809 -13.5809 -12.4879 -12.4879 -12.3480 -12.3480 -12.2225 -12.2225 -11.9688 -11.9688 -10.0216 -10.0216 -9.4811 -9.4811 -3.6948 -3.6948 -3.3951 -3.3951 -3.3613 -3.3613 -3.0098 -3.0098 -1.6237 -1.6237 -1.0483 -1.0483 -0.4122 -0.4122 -0.3276 -0.3276 -0.2482 -0.2482 -0.0451 -0.0451 -0.0212 -0.0212 0.1419 0.1419 0.2359 0.2359 0.3839 0.3839 0.6094 0.6094 0.6843 0.6843 0.7377 0.7377 1.0070 1.0070 1.3408 1.3408 1.4874 1.4874 3.6174 3.6174 4.0124 4.0124 4.2633 4.2633 4.6518 4.6518 8.9082 8.9082 9.3014 9.3014 k = 0.0000 0.4051-0.1206 ( 8659 PWs) bands (ev): -13.9221 -13.9221 -13.5811 -13.5811 -12.4955 -12.4955 -12.3498 -12.3498 -12.2205 -12.2205 -11.9675 -11.9675 -10.0232 -10.0232 -9.4766 -9.4766 -3.6991 -3.6991 -3.3989 -3.3989 -3.3697 -3.3697 -3.0156 -3.0156 -1.6246 -1.6246 -1.0531 -1.0531 -0.3968 -0.3968 -0.3082 -0.3082 -0.2479 -0.2479 -0.0468 -0.0468 -0.0261 -0.0261 0.1480 0.1480 0.2287 0.2287 0.4095 0.4095 0.6070 0.6070 0.6852 0.6852 0.7515 0.7515 1.0152 1.0152 1.3432 1.3432 1.4871 1.4871 3.6027 3.6027 3.9926 3.9926 4.2486 4.2486 4.6342 4.6342 8.9260 8.9260 9.2979 9.2979 k = 0.0000 0.4213-0.1254 ( 8669 PWs) bands (ev): -13.9187 -13.9187 -13.5812 -13.5812 -12.5019 -12.5019 -12.3512 -12.3512 -12.2188 -12.2188 -11.9664 -11.9664 -10.0246 -10.0246 -9.4729 -9.4729 -3.7027 -3.7027 -3.4017 -3.4017 -3.3769 -3.3769 -3.0204 -3.0204 -1.6252 -1.6252 -1.0571 -1.0571 -0.3840 -0.3840 -0.2935 -0.2935 -0.2429 -0.2429 -0.0533 -0.0533 -0.0305 -0.0305 0.1543 0.1543 0.2234 0.2234 0.4350 0.4350 0.5994 0.5994 0.6879 0.6879 0.7631 0.7631 1.0219 1.0219 1.3456 1.3456 1.4868 1.4868 3.5905 3.5905 3.9760 3.9760 4.2365 4.2365 4.6193 4.6193 8.9392 8.9392 9.2964 9.2964 k = 0.0000 0.4375-0.1302 ( 8660 PWs) bands (ev): -13.9159 -13.9159 -13.5813 -13.5813 -12.5070 -12.5070 -12.3524 -12.3524 -12.2174 -12.2174 -11.9655 -11.9655 -10.0257 -10.0257 -9.4700 -9.4700 -3.7055 -3.7055 -3.4037 -3.4037 -3.3828 -3.3828 -3.0242 -3.0242 -1.6256 -1.6256 -1.0603 -1.0603 -0.3742 -0.3742 -0.2852 -0.2852 -0.2321 -0.2321 -0.0627 -0.0627 -0.0347 -0.0347 0.1605 0.1605 0.2195 0.2195 0.4597 0.4597 0.5878 0.5878 0.6914 0.6914 0.7722 0.7722 1.0271 1.0271 1.3476 1.3476 1.4864 1.4864 3.5809 3.5809 3.9627 3.9627 4.2270 4.2270 4.6074 4.6074 8.9482 8.9482 9.2961 9.2961 k = 0.0000 0.4537-0.1350 ( 8654 PWs) bands (ev): -13.9140 -13.9140 -13.5814 -13.5814 -12.5107 -12.5107 -12.3533 -12.3533 -12.2164 -12.2164 -11.9649 -11.9649 -10.0265 -10.0265 -9.4679 -9.4679 -3.7075 -3.7075 -3.4048 -3.4048 -3.3873 -3.3873 -3.0269 -3.0269 -1.6259 -1.6259 -1.0626 -1.0626 -0.3673 -0.3673 -0.2815 -0.2815 -0.2186 -0.2186 -0.0732 -0.0732 -0.0382 -0.0382 0.1658 0.1658 0.2167 0.2167 0.4829 0.4829 0.5735 0.5735 0.6946 0.6946 0.7788 0.7788 1.0308 1.0308 1.3492 1.3492 1.4861 1.4861 3.5739 3.5739 3.9531 3.9531 4.2202 4.2202 4.5987 4.5987 8.9540 8.9540 9.2964 9.2964 k = 0.0000 0.4699-0.1399 ( 8649 PWs) bands (ev): -13.9128 -13.9128 -13.5814 -13.5814 -12.5129 -12.5129 -12.3538 -12.3538 -12.2158 -12.2158 -11.9645 -11.9645 -10.0270 -10.0270 -9.4666 -9.4666 -3.7087 -3.7087 -3.4054 -3.4054 -3.3902 -3.3902 -3.0286 -3.0286 -1.6261 -1.6261 -1.0640 -1.0640 -0.3632 -0.3632 -0.2800 -0.2800 -0.2074 -0.2074 -0.0820 -0.0820 -0.0405 -0.0405 0.1695 0.1695 0.2149 0.2149 0.5031 0.5031 0.5585 0.5585 0.6967 0.6967 0.7828 0.7828 1.0330 1.0330 1.3502 1.3502 1.4858 1.4858 3.5698 3.5698 3.9473 3.9473 4.2162 4.2162 4.5935 4.5935 8.9572 8.9572 9.2969 9.2969 k = 0.0000 0.4861-0.1447 ( 8648 PWs) bands (ev): -13.9123 -13.9123 -13.5815 -13.5815 -12.5136 -12.5136 -12.3540 -12.3540 -12.2156 -12.2156 -11.9644 -11.9644 -10.0271 -10.0271 -9.4662 -9.4662 -3.7091 -3.7091 -3.4055 -3.4055 -3.3912 -3.3912 -3.0291 -3.0291 -1.6261 -1.6261 -1.0645 -1.0645 -0.3619 -0.3619 -0.2796 -0.2796 -0.2030 -0.2030 -0.0855 -0.0855 -0.0413 -0.0413 0.1708 0.1708 0.2143 0.2143 0.5134 0.5134 0.5499 0.5499 0.6975 0.6975 0.7841 0.7841 1.0338 1.0338 1.3506 1.3506 1.4857 1.4857 3.5684 3.5684 3.9453 3.9453 4.2148 4.2148 4.5917 4.5917 8.9583 8.9583 9.2971 9.2971 k = 0.5000 0.4054-0.2242 ( 8638 PWs) bands (ev): -13.8028 -13.8028 -13.5987 -13.5987 -12.4028 -12.4028 -12.4024 -12.4024 -12.3298 -12.3298 -11.9630 -11.9630 -10.1276 -10.1276 -9.5667 -9.5667 -3.6935 -3.6935 -3.3059 -3.3059 -3.0598 -3.0598 -2.7479 -2.7479 -2.1225 -2.1225 -1.6690 -1.6690 -0.8114 -0.8114 -0.5151 -0.5151 -0.2161 -0.2161 -0.2150 -0.2150 0.2630 0.2630 0.5267 0.5267 0.5506 0.5506 0.6148 0.6148 0.7152 0.7152 0.7476 0.7476 0.7787 0.7787 0.7938 0.7938 1.5688 1.5688 1.8251 1.8251 3.8961 3.8961 4.0738 4.0738 4.4749 4.4749 4.9132 4.9132 8.9954 8.9954 9.6249 9.6249 k = 0.4875 0.3952-0.2186 ( 8641 PWs) bands (ev): -13.8030 -13.8030 -13.5988 -13.5988 -12.4083 -12.4083 -12.3976 -12.3976 -12.3289 -12.3289 -11.9628 -11.9628 -10.1274 -10.1274 -9.5662 -9.5662 -3.6934 -3.6934 -3.3063 -3.3063 -3.0618 -3.0618 -2.7493 -2.7493 -2.1221 -2.1221 -1.6679 -1.6679 -0.8089 -0.8089 -0.5131 -0.5131 -0.2235 -0.2235 -0.2055 -0.2055 0.2625 0.2625 0.5199 0.5199 0.5475 0.5475 0.6193 0.6193 0.7143 0.7143 0.7490 0.7490 0.7783 0.7783 0.7962 0.7962 1.5681 1.5681 1.8249 1.8249 3.8957 3.8957 4.0745 4.0745 4.4726 4.4726 4.9100 4.9100 8.9965 8.9965 9.6208 9.6208 k = 0.4750 0.3851-0.2130 ( 8648 PWs) bands (ev): -13.8036 -13.8036 -13.5990 -13.5990 -12.4146 -12.4146 -12.3937 -12.3937 -12.3262 -12.3262 -11.9622 -11.9622 -10.1270 -10.1270 -9.5650 -9.5650 -3.6930 -3.6930 -3.3072 -3.3072 -3.0677 -3.0677 -2.7537 -2.7537 -2.1208 -2.1208 -1.6647 -1.6647 -0.8014 -0.8014 -0.5073 -0.5073 -0.2293 -0.2293 -0.1935 -0.1935 0.2609 0.2609 0.4994 0.4994 0.5437 0.5437 0.6273 0.6273 0.7124 0.7124 0.7520 0.7520 0.7782 0.7782 0.8032 0.8032 1.5662 1.5662 1.8245 1.8245 3.8943 3.8943 4.0764 4.0764 4.4658 4.4658 4.9003 4.9003 8.9996 8.9996 9.6138 9.6138 k = 0.4625 0.3750-0.2074 ( 8654 PWs) bands (ev): -13.8047 -13.8047 -13.5995 -13.5995 -12.4212 -12.4212 -12.3908 -12.3908 -12.3221 -12.3221 -11.9613 -11.9613 -10.1264 -10.1264 -9.5631 -9.5631 -3.6925 -3.6925 -3.3089 -3.3089 -3.0772 -3.0772 -2.7609 -2.7609 -2.1185 -2.1185 -1.6593 -1.6593 -0.7892 -0.7892 -0.4981 -0.4981 -0.2327 -0.2327 -0.1797 -0.1797 0.2583 0.2583 0.4703 0.4703 0.5412 0.5412 0.6327 0.6327 0.7106 0.7106 0.7541 0.7541 0.7796 0.7796 0.8143 0.8143 1.5629 1.5629 1.8238 1.8238 3.8920 3.8920 4.0793 4.0793 4.4548 4.4548 4.8846 4.8846 9.0046 9.0046 9.6043 9.6043 k = 0.4500 0.3648-0.2018 ( 8664 PWs) bands (ev): -13.8062 -13.8062 -13.6001 -13.6001 -12.4277 -12.4277 -12.3888 -12.3888 -12.3169 -12.3169 -11.9601 -11.9601 -10.1254 -10.1254 -9.5604 -9.5604 -3.6918 -3.6918 -3.3113 -3.3113 -3.0896 -3.0896 -2.7706 -2.7706 -2.1153 -2.1153 -1.6518 -1.6518 -0.7726 -0.7726 -0.4865 -0.4865 -0.2335 -0.2335 -0.1641 -0.1641 0.2545 0.2545 0.4368 0.4368 0.5390 0.5390 0.6333 0.6333 0.7096 0.7096 0.7542 0.7542 0.7826 0.7826 0.8286 0.8286 1.5585 1.5585 1.8227 1.8227 3.8888 3.8888 4.0829 4.0829 4.4403 4.4403 4.8635 4.8635 9.0115 9.0115 9.5922 9.5922 k = 0.4375 0.3547-0.1962 ( 8656 PWs) bands (ev): -13.8081 -13.8081 -13.6008 -13.6008 -12.4339 -12.4339 -12.3875 -12.3875 -12.3109 -12.3109 -11.9586 -11.9586 -10.1241 -10.1241 -9.5571 -9.5571 -3.6910 -3.6910 -3.3145 -3.3145 -3.1044 -3.1044 -2.7825 -2.7825 -2.1111 -2.1111 -1.6424 -1.6424 -0.7521 -0.7521 -0.4733 -0.4733 -0.2317 -0.2317 -0.1469 -0.1469 0.2495 0.2495 0.4011 0.4011 0.5366 0.5366 0.6295 0.6295 0.7093 0.7093 0.7527 0.7527 0.7865 0.7865 0.8451 0.8451 1.5529 1.5529 1.8211 1.8211 3.8846 3.8846 4.0869 4.0869 4.4232 4.4232 4.8376 4.8376 9.0197 9.0197 9.5771 9.5771 k = 0.4250 0.3446-0.1906 ( 8651 PWs) bands (ev): -13.8106 -13.8106 -13.6016 -13.6016 -12.4397 -12.4397 -12.3868 -12.3868 -12.3046 -12.3046 -11.9569 -11.9569 -10.1225 -10.1225 -9.5533 -9.5533 -3.6902 -3.6902 -3.3187 -3.3187 -3.1207 -3.1207 -2.7961 -2.7961 -2.1058 -2.1058 -1.6311 -1.6311 -0.7285 -0.7285 -0.4595 -0.4595 -0.2270 -0.2270 -0.1284 -0.1284 0.2431 0.2431 0.3644 0.3644 0.5342 0.5342 0.6220 0.6220 0.7092 0.7092 0.7502 0.7502 0.7910 0.7910 0.8624 0.8624 1.5462 1.5462 1.8191 1.8191 3.8792 3.8792 4.0906 4.0906 4.4044 4.4044 4.8080 4.8080 9.0291 9.0291 9.5591 9.5591 k = 0.4125 0.3344-0.1849 ( 8652 PWs) bands (ev): -13.8136 -13.8136 -13.6024 -13.6024 -12.4449 -12.4449 -12.3864 -12.3864 -12.2981 -12.2981 -11.9550 -11.9550 -10.1204 -10.1204 -9.5491 -9.5491 -3.6896 -3.6896 -3.3239 -3.3239 -3.1378 -3.1378 -2.8110 -2.8110 -2.0993 -2.0993 -1.6180 -1.6180 -0.7025 -0.7025 -0.4459 -0.4459 -0.2194 -0.2194 -0.1090 -0.1090 0.2347 0.2347 0.3282 0.3282 0.5318 0.5318 0.6119 0.6119 0.7089 0.7089 0.7471 0.7471 0.7958 0.7958 0.8792 0.8792 1.5386 1.5386 1.8165 1.8165 3.8727 3.8727 4.0934 4.0934 4.3853 4.3853 4.7759 4.7759 9.0389 9.0389 9.5386 9.5386 k = 0.4000 0.3243-0.1793 ( 8654 PWs) bands (ev): -13.8172 -13.8172 -13.6033 -13.6033 -12.4492 -12.4492 -12.3863 -12.3863 -12.2917 -12.2917 -11.9530 -11.9530 -10.1180 -10.1180 -9.5446 -9.5446 -3.6892 -3.6892 -3.3302 -3.3302 -3.1547 -3.1547 -2.8267 -2.8267 -2.0917 -2.0917 -1.6031 -1.6031 -0.6751 -0.6751 -0.4329 -0.4329 -0.2092 -0.2092 -0.0894 -0.0894 0.2231 0.2231 0.2946 0.2946 0.5294 0.5294 0.5997 0.5997 0.7084 0.7084 0.7437 0.7437 0.8007 0.8007 0.8950 0.8950 1.5302 1.5302 1.8131 1.8131 3.8650 3.8650 4.0943 4.0943 4.3669 4.3669 4.7428 4.7428 9.0483 9.0483 9.5162 9.5162 k = 0.3875 0.3142-0.1737 ( 8655 PWs) bands (ev): -13.8214 -13.8214 -13.6040 -13.6040 -12.4527 -12.4527 -12.3862 -12.3862 -12.2856 -12.2856 -11.9510 -11.9510 -10.1152 -10.1152 -9.5400 -9.5400 -3.6892 -3.6892 -3.3376 -3.3376 -3.1709 -3.1709 -2.8425 -2.8425 -2.0829 -2.0829 -1.5867 -1.5867 -0.6475 -0.6475 -0.4207 -0.4207 -0.1968 -0.1968 -0.0705 -0.0705 0.2057 0.2057 0.2667 0.2667 0.5272 0.5272 0.5861 0.5861 0.7075 0.7075 0.7400 0.7400 0.8056 0.8056 0.9090 0.9090 1.5210 1.5210 1.8091 1.8091 3.8560 3.8560 4.0928 4.0928 4.3505 4.3505 4.7101 4.7101 9.0561 9.0561 9.4935 9.4935 k = 0.3750 0.3040-0.1681 ( 8661 PWs) bands (ev): -13.8262 -13.8262 -13.6047 -13.6047 -12.4552 -12.4552 -12.3861 -12.3861 -12.2799 -12.2799 -11.9491 -11.9491 -10.1120 -10.1120 -9.5355 -9.5355 -3.6897 -3.6897 -3.3460 -3.3460 -3.1856 -3.1856 -2.8581 -2.8581 -2.0729 -2.0729 -1.5687 -1.5687 -0.6210 -0.6210 -0.4089 -0.4089 -0.1828 -0.1828 -0.0536 -0.0536 0.1810 0.1810 0.2471 0.2471 0.5248 0.5248 0.5719 0.5719 0.7063 0.7063 0.7361 0.7361 0.8102 0.8102 0.9210 0.9210 1.5111 1.5111 1.8042 1.8042 3.8458 3.8458 4.0883 4.0883 4.3367 4.3367 4.6797 4.6797 9.0608 9.0608 9.4723 9.4723 k = 0.3625 0.2939-0.1625 ( 8659 PWs) bands (ev): -13.8317 -13.8317 -13.6053 -13.6053 -12.4567 -12.4567 -12.3858 -12.3858 -12.2748 -12.2748 -11.9472 -11.9472 -10.1083 -10.1083 -9.5311 -9.5311 -3.6908 -3.6908 -3.3550 -3.3550 -3.1987 -3.1987 -2.8728 -2.8728 -2.0616 -2.0616 -1.5492 -1.5492 -0.5969 -0.5969 -0.3968 -0.3968 -0.1678 -0.1678 -0.0400 -0.0400 0.1522 0.1522 0.2337 0.2337 0.5210 0.5210 0.5586 0.5586 0.7047 0.7047 0.7321 0.7321 0.8142 0.8142 0.9309 0.9309 1.5008 1.5008 1.7983 1.7983 3.8346 3.8346 4.0809 4.0809 4.3256 4.3256 4.6533 4.6533 9.0603 9.0603 9.4548 9.4548 k = 0.3500 0.2838-0.1569 ( 8655 PWs) bands (ev): -13.8378 -13.8378 -13.6056 -13.6056 -12.4571 -12.4571 -12.3853 -12.3853 -12.2702 -12.2702 -11.9455 -11.9455 -10.1042 -10.1042 -9.5269 -9.5269 -3.6925 -3.6925 -3.3642 -3.3642 -3.2098 -3.2098 -2.8863 -2.8863 -2.0492 -2.0492 -1.5283 -1.5283 -0.5765 -0.5765 -0.3841 -0.3841 -0.1526 -0.1526 -0.0317 -0.0317 0.1240 0.1240 0.2235 0.2235 0.5127 0.5127 0.5494 0.5494 0.7029 0.7029 0.7282 0.7282 0.8170 0.8170 0.9386 0.9386 1.4900 1.4900 1.7916 1.7916 3.8226 3.8226 4.0713 4.0713 4.3168 4.3168 4.6325 4.6325 9.0528 9.0528 9.4434 9.4434 k = 0.3375 0.2736-0.1513 ( 8655 PWs) bands (ev): -13.8445 -13.8445 -13.6058 -13.6058 -12.4565 -12.4565 -12.3845 -12.3845 -12.2663 -12.2663 -11.9440 -11.9440 -10.0996 -10.0996 -9.5232 -9.5232 -3.6949 -3.6949 -3.3731 -3.3731 -3.2191 -3.2191 -2.8982 -2.8982 -2.0355 -2.0355 -1.5060 -1.5060 -0.5608 -0.5608 -0.3705 -0.3705 -0.1380 -0.1380 -0.0304 -0.0304 0.1001 0.1001 0.2150 0.2150 0.4983 0.4983 0.5459 0.5459 0.7007 0.7007 0.7246 0.7246 0.8182 0.8182 0.9440 0.9440 1.4790 1.4790 1.7838 1.7838 3.8103 3.8103 4.0605 4.0605 4.3097 4.3097 4.6185 4.6185 9.0369 9.0369 9.4394 9.4394 k = 0.3250 0.2635-0.1457 ( 8653 PWs) bands (ev): -13.8519 -13.8519 -13.6057 -13.6057 -12.4548 -12.4548 -12.3834 -12.3834 -12.2630 -12.2630 -11.9428 -11.9428 -10.0947 -10.0947 -9.5201 -9.5201 -3.6979 -3.6979 -3.3813 -3.3813 -3.2265 -3.2265 -2.9084 -2.9084 -2.0207 -2.0207 -1.4824 -1.4824 -0.5501 -0.5501 -0.3566 -0.3566 -0.1250 -0.1250 -0.0373 -0.0373 0.0829 0.0829 0.2076 0.2076 0.4797 0.4797 0.5461 0.5461 0.6980 0.6980 0.7214 0.7214 0.8172 0.8172 0.9475 0.9475 1.4679 1.4679 1.7750 1.7750 3.7982 3.7982 4.0497 4.0497 4.3040 4.3040 4.6116 4.6116 9.0125 9.0125 9.4432 9.4432 k = 0.3125 0.2533-0.1401 ( 8651 PWs) bands (ev): -13.8599 -13.8599 -13.6054 -13.6054 -12.4520 -12.4520 -12.3818 -12.3818 -12.2604 -12.2604 -11.9419 -11.9419 -10.0895 -10.0895 -9.5175 -9.5175 -3.7013 -3.7013 -3.3882 -3.3882 -3.2322 -3.2322 -2.9166 -2.9166 -2.0047 -2.0047 -1.4577 -1.4577 -0.5443 -0.5443 -0.3438 -0.3438 -0.1148 -0.1148 -0.0507 -0.0507 0.0726 0.0726 0.2015 0.2015 0.4588 0.4588 0.5477 0.5477 0.6948 0.6948 0.7188 0.7188 0.8132 0.8132 0.9490 0.9490 1.4567 1.4567 1.7651 1.7651 3.7870 3.7870 4.0402 4.0402 4.2999 4.2999 4.6117 4.6117 8.9804 8.9804 9.4532 9.4532 k = 0.3000 0.2432-0.1345 ( 8659 PWs) bands (ev): -13.8684 -13.8684 -13.6049 -13.6049 -12.4482 -12.4482 -12.3798 -12.3798 -12.2584 -12.2584 -11.9414 -11.9414 -10.0839 -10.0839 -9.5158 -9.5158 -3.7049 -3.7049 -3.3936 -3.3936 -3.2362 -3.2362 -2.9227 -2.9227 -1.9876 -1.9876 -1.4318 -1.4318 -0.5426 -0.5426 -0.3339 -0.3339 -0.1096 -0.1096 -0.0661 -0.0661 0.0669 0.0669 0.1973 0.1973 0.4365 0.4365 0.5493 0.5493 0.6908 0.6908 0.7164 0.7164 0.8059 0.8059 0.9489 0.9489 1.4457 1.4457 1.7542 1.7542 3.7773 3.7773 4.0334 4.0334 4.2977 4.2977 4.6178 4.6178 8.9422 8.9422 9.4662 9.4662 k = 0.2875 0.2331-0.1289 ( 8664 PWs) bands (ev): -13.8773 -13.8773 -13.6041 -13.6041 -12.4435 -12.4435 -12.3772 -12.3772 -12.2570 -12.2570 -11.9413 -11.9413 -10.0780 -10.0780 -9.5148 -9.5148 -3.7083 -3.7083 -3.3973 -3.3973 -3.2387 -3.2387 -2.9269 -2.9269 -1.9694 -1.9694 -1.4048 -1.4048 -0.5445 -0.5445 -0.3286 -0.3286 -0.1135 -0.1135 -0.0760 -0.0760 0.0627 0.0627 0.1963 0.1963 0.4133 0.4133 0.5502 0.5502 0.6862 0.6862 0.7137 0.7137 0.7949 0.7949 0.9471 0.9471 1.4349 1.4349 1.7423 1.7423 3.7698 3.7698 4.0304 4.0304 4.2980 4.2980 4.6289 4.6289 8.8994 8.8994 9.4764 9.4764 k = 0.2750 0.2229-0.1233 ( 8662 PWs) bands (ev): -13.8867 -13.8867 -13.6031 -13.6031 -12.4379 -12.4379 -12.3740 -12.3740 -12.2562 -12.2562 -11.9417 -11.9417 -10.0719 -10.0719 -9.5148 -9.5148 -3.7113 -3.7113 -3.3992 -3.3992 -3.2397 -3.2397 -2.9291 -2.9291 -1.9501 -1.9501 -1.3769 -1.3769 -0.5494 -0.5494 -0.3294 -0.3294 -0.1275 -0.1275 -0.0773 -0.0773 0.0573 0.0573 0.1998 0.1998 0.3896 0.3896 0.5499 0.5499 0.6809 0.6809 0.7099 0.7099 0.7800 0.7800 0.9439 0.9439 1.4244 1.4244 1.7294 1.7294 3.7650 3.7650 4.0322 4.0322 4.3012 4.3012 4.6439 4.6439 8.8533 8.8533 9.4796 9.4796 k = 0.2625 0.2128-0.1177 ( 8665 PWs) bands (ev): -13.8964 -13.8964 -13.6019 -13.6019 -12.4316 -12.4316 -12.3703 -12.3703 -12.2560 -12.2560 -11.9425 -11.9425 -10.0657 -10.0657 -9.5156 -9.5156 -3.7135 -3.7135 -3.3993 -3.3993 -3.2393 -3.2393 -2.9296 -2.9296 -1.9299 -1.9299 -1.3481 -1.3481 -0.5568 -0.5568 -0.3366 -0.3366 -0.1464 -0.1464 -0.0742 -0.0742 0.0491 0.0491 0.2084 0.2084 0.3658 0.3658 0.5484 0.5484 0.6751 0.6751 0.7042 0.7042 0.7614 0.7614 0.9392 0.9392 1.4143 1.4143 1.7157 1.7157 3.7636 3.7636 4.0396 4.0396 4.3076 4.3076 4.6619 4.6619 8.8049 8.8049 9.4791 9.4791 k = 0.2500 0.2027-0.1121 ( 8663 PWs) bands (ev): -13.9064 -13.9064 -13.6006 -13.6006 -12.4245 -12.4245 -12.3659 -12.3659 -12.2563 -12.2563 -11.9439 -11.9439 -10.0593 -10.0593 -9.5174 -9.5174 -3.7146 -3.7146 -3.3975 -3.3975 -3.2374 -3.2374 -2.9284 -2.9284 -1.9088 -1.9088 -1.3185 -1.3185 -0.5664 -0.5664 -0.3493 -0.3493 -0.1676 -0.1676 -0.0695 -0.0695 0.0379 0.0379 0.2211 0.2211 0.3430 0.3430 0.5457 0.5457 0.6684 0.6684 0.6960 0.6960 0.7396 0.7396 0.9329 0.9329 1.4048 1.4048 1.7011 1.7011 3.7658 3.7658 4.0530 4.0530 4.3172 4.3172 4.6821 4.6821 8.7552 8.7552 9.4782 9.4782 k = 0.2375 0.1925-0.1065 ( 8669 PWs) bands (ev): -13.9165 -13.9165 -13.5991 -13.5991 -12.4170 -12.4170 -12.3609 -12.3609 -12.2570 -12.2570 -11.9457 -11.9457 -10.0528 -10.0528 -9.5202 -9.5202 -3.7144 -3.7144 -3.3941 -3.3941 -3.2343 -3.2343 -2.9257 -2.9257 -1.8868 -1.8868 -1.2882 -1.2882 -0.5778 -0.5778 -0.3661 -0.3661 -0.1907 -0.1907 -0.0656 -0.0656 0.0254 0.0254 0.2344 0.2344 0.3231 0.3231 0.5419 0.5419 0.6599 0.6599 0.6850 0.6850 0.7155 0.7155 0.9250 0.9250 1.3957 1.3957 1.6859 1.6859 3.7721 3.7721 4.0723 4.0723 4.3301 4.3301 4.7040 4.7040 8.7048 8.7048 9.4785 9.4785 k = 0.2250 0.1824-0.1009 ( 8666 PWs) bands (ev): -13.9267 -13.9267 -13.5975 -13.5975 -12.4089 -12.4089 -12.3553 -12.3553 -12.2581 -12.2581 -11.9481 -11.9481 -10.0464 -10.0464 -9.5239 -9.5239 -3.7126 -3.7126 -3.3889 -3.3889 -3.2298 -3.2298 -2.9218 -2.9218 -1.8640 -1.8640 -1.2574 -1.2574 -0.5909 -0.5909 -0.3856 -0.3856 -0.2154 -0.2154 -0.0662 -0.0662 0.0155 0.0155 0.2412 0.2412 0.3122 0.3122 0.5371 0.5371 0.6478 0.6478 0.6708 0.6708 0.6923 0.6923 0.9155 0.9155 1.3873 1.3873 1.6702 1.6702 3.7824 3.7824 4.0972 4.0972 4.3463 4.3463 4.7270 4.7270 8.6542 8.6542 9.4803 9.4803 k = 0.2125 0.1723-0.0953 ( 8666 PWs) bands (ev): -13.9368 -13.9368 -13.5958 -13.5958 -12.4006 -12.4006 -12.3490 -12.3490 -12.2594 -12.2594 -11.9510 -11.9510 -10.0399 -10.0399 -9.5285 -9.5285 -3.7091 -3.7091 -3.3821 -3.3821 -3.2243 -3.2243 -2.9168 -2.9168 -1.8406 -1.8406 -1.2261 -1.2261 -0.6056 -0.6056 -0.4067 -0.4067 -0.2413 -0.2413 -0.0755 -0.0755 0.0122 0.0122 0.2333 0.2333 0.3169 0.3169 0.5314 0.5314 0.6291 0.6291 0.6507 0.6507 0.6765 0.6765 0.9044 0.9044 1.3793 1.3793 1.6540 1.6540 3.7967 3.7967 4.1271 4.1271 4.3655 4.3655 4.7511 4.7511 8.6039 8.6039 9.4836 9.4836 k = 0.2000 0.1621-0.0897 ( 8661 PWs) bands (ev): -13.9469 -13.9469 -13.5940 -13.5940 -12.3921 -12.3921 -12.3422 -12.3422 -12.2610 -12.2610 -11.9544 -11.9544 -10.0335 -10.0335 -9.5339 -9.5339 -3.7039 -3.7039 -3.3739 -3.3739 -3.2176 -3.2176 -2.9109 -2.9109 -1.8166 -1.8166 -1.1945 -1.1945 -0.6216 -0.6216 -0.4285 -0.4285 -0.2678 -0.2678 -0.0940 -0.0940 0.0155 0.0155 0.2150 0.2150 0.3317 0.3317 0.5249 0.5249 0.6036 0.6036 0.6271 0.6271 0.6679 0.6679 0.8918 0.8918 1.3719 1.3719 1.6377 1.6377 3.8145 3.8145 4.1612 4.1612 4.3878 4.3878 4.7759 4.7759 8.5542 8.5542 9.4881 9.4881 k = 0.1875 0.1520-0.0841 ( 8664 PWs) bands (ev): -13.9567 -13.9567 -13.5922 -13.5922 -12.3835 -12.3835 -12.3349 -12.3349 -12.2626 -12.2626 -11.9583 -11.9583 -10.0272 -10.0272 -9.5401 -9.5401 -3.6970 -3.6970 -3.3643 -3.3643 -3.2099 -3.2099 -2.9045 -2.9045 -1.7922 -1.7922 -1.1627 -1.1627 -0.6390 -0.6390 -0.4507 -0.4507 -0.2943 -0.2943 -0.1185 -0.1185 0.0220 0.0220 0.1936 0.1936 0.3478 0.3478 0.5174 0.5174 0.5746 0.5746 0.6031 0.6031 0.6626 0.6626 0.8776 0.8776 1.3650 1.3650 1.6212 1.6212 3.8354 3.8354 4.1986 4.1986 4.4128 4.4128 4.8013 4.8013 8.5056 8.5056 9.4935 9.4935 k = 0.1750 0.1419-0.0785 ( 8668 PWs) bands (ev): -13.9663 -13.9663 -13.5904 -13.5904 -12.3750 -12.3750 -12.3271 -12.3271 -12.2641 -12.2641 -11.9627 -11.9627 -10.0210 -10.0210 -9.5469 -9.5469 -3.6885 -3.6885 -3.3536 -3.3536 -3.2014 -3.2014 -2.8975 -2.8975 -1.7676 -1.7676 -1.1310 -1.1310 -0.6577 -0.6577 -0.4727 -0.4727 -0.3202 -0.3202 -0.1464 -0.1464 0.0281 0.0281 0.1725 0.1725 0.3601 0.3601 0.5084 0.5084 0.5469 0.5469 0.5798 0.5798 0.6591 0.6591 0.8622 0.8622 1.3586 1.3586 1.6049 1.6049 3.8586 3.8586 4.2384 4.2384 4.4403 4.4403 4.8274 4.8274 8.4583 8.4583 9.4992 9.4992 k = 0.1625 0.1317-0.0729 ( 8671 PWs) bands (ev): -13.9756 -13.9756 -13.5886 -13.5886 -12.3667 -12.3667 -12.3191 -12.3191 -12.2655 -12.2655 -11.9675 -11.9675 -10.0150 -10.0150 -9.5543 -9.5543 -3.6785 -3.6785 -3.3419 -3.3419 -3.1920 -3.1920 -2.8903 -2.8903 -1.7428 -1.7428 -1.0993 -1.0993 -0.6775 -0.6775 -0.4945 -0.4945 -0.3451 -0.3451 -0.1761 -0.1761 0.0308 0.0308 0.1543 0.1543 0.3637 0.3637 0.4971 0.4971 0.5249 0.5249 0.5593 0.5593 0.6572 0.6572 0.8456 0.8456 1.3527 1.3527 1.5888 1.5888 3.8833 3.8833 4.2795 4.2795 4.4699 4.4699 4.8542 4.8542 8.4127 8.4127 9.5042 9.5042 k = 0.1500 0.1216-0.0673 ( 8675 PWs) bands (ev): -13.9845 -13.9845 -13.5869 -13.5869 -12.3588 -12.3588 -12.3109 -12.3109 -12.2666 -12.2666 -11.9727 -11.9727 -10.0092 -10.0092 -9.5622 -9.5622 -3.6672 -3.6672 -3.3295 -3.3295 -3.1820 -3.1820 -2.8831 -2.8831 -1.7182 -1.7182 -1.0681 -1.0681 -0.6982 -0.6982 -0.5157 -0.5157 -0.3684 -0.3684 -0.2067 -0.2067 0.0270 0.0270 0.1410 0.1410 0.3550 0.3550 0.4837 0.4837 0.5098 0.5098 0.5449 0.5449 0.6567 0.6567 0.8282 0.8282 1.3473 1.3473 1.5731 1.5731 3.9088 3.9088 4.3211 4.3211 4.5010 4.5010 4.8815 4.8815 8.3689 8.3689 9.5075 9.5075 k = 0.1375 0.1115-0.0616 ( 8670 PWs) bands (ev): -13.9928 -13.9928 -13.5852 -13.5852 -12.3513 -12.3513 -12.3028 -12.3028 -12.2671 -12.2671 -11.9782 -11.9782 -10.0037 -10.0037 -9.5703 -9.5703 -3.6549 -3.6549 -3.3166 -3.3166 -3.1715 -3.1715 -2.8759 -2.8759 -1.6939 -1.6939 -1.0374 -1.0374 -0.7197 -0.7197 -0.5363 -0.5363 -0.3902 -0.3902 -0.2372 -0.2372 0.0155 0.0155 0.1333 0.1333 0.3356 0.3356 0.4675 0.4675 0.4999 0.4999 0.5394 0.5394 0.6577 0.6577 0.8102 0.8102 1.3425 1.3425 1.5579 1.5579 3.9342 3.9342 4.3623 4.3623 4.5328 4.5328 4.9096 4.9096 8.3274 8.3274 9.5077 9.5077 k = 0.1250 0.1013-0.0560 ( 8676 PWs) bands (ev): -14.0007 -14.0007 -13.5837 -13.5837 -12.3445 -12.3445 -12.2950 -12.2950 -12.2668 -12.2668 -11.9841 -11.9841 -9.9983 -9.9983 -9.5785 -9.5785 -3.6420 -3.6420 -3.3034 -3.3034 -3.1606 -3.1606 -2.8690 -2.8690 -1.6702 -1.6702 -1.0077 -1.0077 -0.7413 -0.7413 -0.5560 -0.5560 -0.4102 -0.4102 -0.2669 -0.2669 -0.0024 -0.0024 0.1283 0.1283 0.3117 0.3117 0.4487 0.4487 0.4925 0.4925 0.5412 0.5412 0.6602 0.6602 0.7920 0.7920 1.3382 1.3382 1.5433 1.5433 3.9590 3.9590 4.4024 4.4024 4.5647 4.5647 4.9383 4.9383 8.2883 8.2883 9.5038 9.5038 k = 0.1125 0.0912-0.0504 ( 8679 PWs) bands (ev): -14.0080 -14.0080 -13.5822 -13.5822 -12.3387 -12.3387 -12.2876 -12.2876 -12.2655 -12.2655 -11.9900 -11.9900 -9.9933 -9.9933 -9.5867 -9.5867 -3.6287 -3.6287 -3.2902 -3.2902 -3.1496 -3.1496 -2.8624 -2.8624 -1.6474 -1.6474 -0.9791 -0.9791 -0.7624 -0.7624 -0.5750 -0.5750 -0.4288 -0.4288 -0.2951 -0.2951 -0.0240 -0.0240 0.1217 0.1217 0.2895 0.2895 0.4296 0.4296 0.4858 0.4858 0.5468 0.5468 0.6638 0.6638 0.7741 0.7741 1.3344 1.3344 1.5296 1.5296 3.9825 3.9825 4.4406 4.4406 4.5956 4.5956 4.9673 4.9673 8.2520 8.2520 9.4959 9.4959 k = 0.1000 0.0811-0.0448 ( 8684 PWs) bands (ev): -14.0146 -14.0146 -13.5808 -13.5808 -12.3338 -12.3338 -12.2808 -12.2808 -12.2632 -12.2632 -11.9961 -11.9961 -9.9887 -9.9887 -9.5946 -9.5946 -3.6155 -3.6155 -3.2773 -3.2773 -3.1388 -3.1388 -2.8563 -2.8563 -1.6259 -1.6259 -0.9523 -0.9523 -0.7820 -0.7820 -0.5931 -0.5931 -0.4462 -0.4462 -0.3209 -0.3209 -0.0472 -0.0472 0.1101 0.1101 0.2731 0.2731 0.4123 0.4123 0.4791 0.4791 0.5534 0.5534 0.6678 0.6678 0.7573 0.7573 1.3311 1.3311 1.5167 1.5167 4.0043 4.0043 4.4764 4.4764 4.6250 4.6250 4.9963 4.9963 8.2187 8.2187 9.4852 9.4852 k = 0.0875 0.0709-0.0392 ( 8679 PWs) bands (ev): -14.0205 -14.0205 -13.5796 -13.5796 -12.3301 -12.3301 -12.2748 -12.2748 -12.2597 -12.2597 -12.0021 -12.0021 -9.9843 -9.9843 -9.6022 -9.6022 -3.6027 -3.6027 -3.2648 -3.2648 -3.1285 -3.1285 -2.8508 -2.8508 -1.6059 -1.6059 -0.9281 -0.9281 -0.7988 -0.7988 -0.6108 -0.6108 -0.4627 -0.4627 -0.3435 -0.3435 -0.0704 -0.0704 0.0927 0.0927 0.2633 0.2633 0.3979 0.3979 0.4725 0.4725 0.5598 0.5598 0.6707 0.6707 0.7430 0.7430 1.3284 1.3284 1.5049 1.5049 4.0240 4.0240 4.5090 4.5090 4.6523 4.6523 5.0247 5.0247 8.1886 8.1886 9.4732 9.4732 k = 0.0750 0.0608-0.0336 ( 8683 PWs) bands (ev): -14.0258 -14.0258 -13.5785 -13.5785 -12.3274 -12.3274 -12.2694 -12.2694 -12.2556 -12.2556 -12.0078 -12.0078 -9.9805 -9.9805 -9.6093 -9.6093 -3.5907 -3.5907 -3.2531 -3.2531 -3.1189 -3.1189 -2.8459 -2.8459 -1.5879 -1.5879 -0.9082 -0.9082 -0.8106 -0.8106 -0.6282 -0.6282 -0.4785 -0.4785 -0.3623 -0.3623 -0.0925 -0.0925 0.0716 0.0716 0.2583 0.2583 0.3875 0.3875 0.4658 0.4658 0.5657 0.5657 0.6700 0.6700 0.7331 0.7331 1.3262 1.3262 1.4943 1.4943 4.0414 4.0414 4.5381 4.5381 4.6768 4.6768 5.0518 5.0518 8.1619 8.1619 9.4611 9.4611 k = 0.0625 0.0507-0.0280 ( 8681 PWs) bands (ev): -14.0303 -14.0303 -13.5776 -13.5776 -12.3257 -12.3257 -12.2645 -12.2645 -12.2513 -12.2513 -12.0132 -12.0132 -9.9771 -9.9771 -9.6156 -9.6156 -3.5799 -3.5799 -3.2423 -3.2423 -3.1104 -3.1104 -2.8417 -2.8417 -1.5721 -1.5721 -0.8953 -0.8953 -0.8144 -0.8144 -0.6455 -0.6455 -0.4934 -0.4934 -0.3770 -0.3770 -0.1129 -0.1129 0.0496 0.0496 0.2554 0.2554 0.3816 0.3816 0.4590 0.4590 0.5713 0.5713 0.6640 0.6640 0.7292 0.7292 1.3245 1.3245 1.4850 1.4850 4.0563 4.0563 4.5631 4.5631 4.6984 4.6984 5.0767 5.0767 8.1389 8.1389 9.4500 9.4500 k = 0.0500 0.0405-0.0224 ( 8675 PWs) bands (ev): -14.0340 -14.0340 -13.5768 -13.5768 -12.3246 -12.3246 -12.2602 -12.2602 -12.2473 -12.2473 -12.0180 -12.0180 -9.9742 -9.9742 -9.6210 -9.6210 -3.5705 -3.5705 -3.2329 -3.2329 -3.1031 -3.1031 -2.8382 -2.8382 -1.5589 -1.5589 -0.8908 -0.8908 -0.8083 -0.8083 -0.6628 -0.6628 -0.5073 -0.5073 -0.3876 -0.3876 -0.1307 -0.1307 0.0292 0.0292 0.2530 0.2530 0.3801 0.3801 0.4521 0.4521 0.5769 0.5769 0.6537 0.6537 0.7298 0.7298 1.3232 1.3232 1.4772 1.4772 4.0686 4.0686 4.5838 4.5838 4.7167 4.7167 5.0986 5.0986 8.1198 8.1198 9.4403 9.4403 k = 0.0375 0.0304-0.0168 ( 8681 PWs) bands (ev): -14.0369 -14.0369 -13.5762 -13.5762 -12.3239 -12.3239 -12.2565 -12.2565 -12.2439 -12.2439 -12.0220 -12.0220 -9.9719 -9.9719 -9.6254 -9.6254 -3.5630 -3.5630 -3.2250 -3.2250 -3.0974 -3.0974 -2.8354 -2.8354 -1.5484 -1.5484 -0.8918 -0.8918 -0.7953 -0.7953 -0.6801 -0.6801 -0.5192 -0.5192 -0.3946 -0.3946 -0.1454 -0.1454 0.0119 0.0119 0.2504 0.2504 0.3821 0.3821 0.4453 0.4453 0.5828 0.5828 0.6417 0.6417 0.7324 0.7324 1.3223 1.3223 1.4710 1.4710 4.0783 4.0783 4.5998 4.5998 4.7314 4.7314 5.1166 5.1166 8.1048 8.1048 9.4324 9.4324 k = 0.0250 0.0203-0.0112 ( 8682 PWs) bands (ev): -14.0390 -14.0390 -13.5758 -13.5758 -12.3236 -12.3236 -12.2537 -12.2537 -12.2414 -12.2414 -12.0250 -12.0250 -9.9702 -9.9702 -9.6286 -9.6286 -3.5575 -3.5575 -3.2191 -3.2191 -3.0933 -3.0933 -2.8335 -2.8335 -1.5408 -1.5408 -0.8944 -0.8944 -0.7797 -0.7797 -0.6968 -0.6968 -0.5285 -0.5285 -0.3988 -0.3988 -0.1565 -0.1565 -0.0010 -0.0010 0.2480 0.2480 0.3862 0.3862 0.4389 0.4389 0.5894 0.5894 0.6296 0.6296 0.7351 0.7351 1.3217 1.3217 1.4664 1.4664 4.0852 4.0852 4.6113 4.6113 4.7422 4.7422 5.1300 5.1300 8.0939 8.0939 9.4265 9.4265 k = 0.0125 0.0101-0.0056 ( 8687 PWs) bands (ev): -14.0402 -14.0402 -13.5755 -13.5755 -12.3235 -12.3235 -12.2520 -12.2520 -12.2398 -12.2398 -12.0269 -12.0269 -9.9691 -9.9691 -9.6306 -9.6306 -3.5541 -3.5541 -3.2155 -3.2155 -3.0908 -3.0908 -2.8323 -2.8323 -1.5362 -1.5362 -0.8965 -0.8965 -0.7650 -0.7650 -0.7117 -0.7117 -0.5345 -0.5345 -0.4009 -0.4009 -0.1633 -0.1633 -0.0091 -0.0091 0.2463 0.2463 0.3902 0.3902 0.4339 0.4339 0.5967 0.5967 0.6186 0.6186 0.7370 0.7370 1.3214 1.3214 1.4636 1.4636 4.0893 4.0893 4.6181 4.6181 4.7487 4.7487 5.1382 5.1382 8.0874 8.0874 9.4230 9.4230 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -14.0406 -14.0406 -13.5754 -13.5754 -12.3234 -12.3234 -12.2514 -12.2514 -12.2392 -12.2392 -12.0275 -12.0275 -9.9688 -9.9688 -9.6312 -9.6312 -3.5529 -3.5529 -3.2142 -3.2142 -3.0899 -3.0899 -2.8319 -2.8319 -1.5346 -1.5346 -0.8972 -0.8972 -0.7576 -0.7576 -0.7191 -0.7191 -0.5365 -0.5365 -0.4015 -0.4015 -0.1657 -0.1657 -0.0118 -0.0118 0.2457 0.2457 0.3920 0.3920 0.4319 0.4319 0.6020 0.6020 0.6120 0.6120 0.7377 0.7377 1.3213 1.3213 1.4627 1.4627 4.0907 4.0907 4.6204 4.6204 4.7510 4.7510 5.1410 5.1410 8.0852 8.0852 9.4218 9.4218 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -14.0406 -14.0406 -13.5754 -13.5754 -12.3234 -12.3234 -12.2514 -12.2514 -12.2392 -12.2392 -12.0275 -12.0275 -9.9688 -9.9688 -9.6312 -9.6312 -3.5529 -3.5529 -3.2142 -3.2142 -3.0899 -3.0899 -2.8319 -2.8319 -1.5346 -1.5346 -0.8972 -0.8972 -0.7576 -0.7576 -0.7191 -0.7191 -0.5365 -0.5365 -0.4015 -0.4015 -0.1657 -0.1657 -0.0118 -0.0118 0.2457 0.2457 0.3920 0.3920 0.4319 0.4319 0.6020 0.6020 0.6120 0.6120 0.7377 0.7377 1.3213 1.3213 1.4627 1.4627 4.0907 4.0907 4.6204 4.6204 4.7510 4.7510 5.1410 5.1410 8.0852 8.0852 9.4218 9.4218 k = 0.0000 0.0000 0.0174 ( 8684 PWs) bands (ev): -14.0402 -14.0402 -13.5761 -13.5761 -12.3234 -12.3234 -12.2518 -12.2518 -12.2390 -12.2390 -12.0272 -12.0272 -9.9693 -9.9693 -9.6304 -9.6304 -3.5543 -3.5543 -3.2146 -3.2146 -3.0912 -3.0912 -2.8318 -2.8318 -1.5337 -1.5337 -0.8978 -0.8978 -0.7581 -0.7581 -0.7183 -0.7183 -0.5342 -0.5342 -0.4035 -0.4035 -0.1630 -0.1630 -0.0114 -0.0114 0.2473 0.2473 0.3900 0.3900 0.4339 0.4339 0.6011 0.6011 0.6121 0.6121 0.7375 0.7375 1.3208 1.3208 1.4644 1.4644 4.0900 4.0900 4.6173 4.6173 4.7497 4.7497 5.1398 5.1398 8.0875 8.0875 9.4213 9.4213 k = 0.0000 0.0000 0.0347 ( 8685 PWs) bands (ev): -14.0389 -14.0389 -13.5780 -13.5780 -12.3234 -12.3234 -12.2528 -12.2528 -12.2383 -12.2383 -12.0261 -12.0261 -9.9707 -9.9707 -9.6281 -9.6281 -3.5583 -3.5583 -3.2158 -3.2158 -3.0948 -3.0948 -2.8314 -2.8314 -1.5307 -1.5307 -0.8995 -0.8995 -0.7599 -0.7599 -0.7155 -0.7155 -0.5277 -0.5277 -0.4089 -0.4089 -0.1553 -0.1553 -0.0102 -0.0102 0.2521 0.2521 0.3850 0.3850 0.4387 0.4387 0.5985 0.5985 0.6123 0.6123 0.7367 0.7367 1.3195 1.3195 1.4696 1.4696 4.0878 4.0878 4.6079 4.6079 4.7458 4.7458 5.1362 5.1362 8.0946 8.0946 9.4196 9.4196 k = 0.0000 0.0000 0.0521 ( 8684 PWs) bands (ev): -14.0368 -14.0368 -13.5813 -13.5813 -12.3233 -12.3233 -12.2543 -12.2543 -12.2373 -12.2373 -12.0245 -12.0245 -9.9731 -9.9731 -9.6244 -9.6244 -3.5649 -3.5649 -3.2177 -3.2177 -3.1005 -3.1005 -2.8310 -2.8310 -1.5258 -1.5258 -0.9020 -0.9020 -0.7645 -0.7645 -0.7095 -0.7095 -0.5176 -0.5176 -0.4167 -0.4167 -0.1435 -0.1435 -0.0078 -0.0078 0.2590 0.2590 0.3790 0.3790 0.4449 0.4449 0.5948 0.5948 0.6126 0.6126 0.7353 0.7353 1.3176 1.3176 1.4779 1.4779 4.0840 4.0840 4.5926 4.5926 4.7394 4.7394 5.1306 5.1306 8.1064 8.1064 9.4167 9.4167 k = 0.0000 0.0000 0.0695 ( 8682 PWs) bands (ev): -14.0338 -14.0338 -13.5857 -13.5857 -12.3233 -12.3233 -12.2562 -12.2562 -12.2363 -12.2363 -12.0223 -12.0223 -9.9762 -9.9762 -9.6193 -9.6193 -3.5739 -3.5739 -3.2203 -3.2203 -3.1081 -3.1081 -2.8304 -2.8304 -1.5189 -1.5189 -0.9048 -0.9048 -0.7727 -0.7727 -0.6998 -0.6998 -0.5055 -0.5055 -0.4250 -0.4250 -0.1288 -0.1288 -0.0037 -0.0037 0.2665 0.2665 0.3741 0.3741 0.4512 0.4512 0.5906 0.5906 0.6129 0.6129 0.7335 0.7335 1.3153 1.3153 1.4887 1.4887 4.0785 4.0785 4.5716 4.5716 4.7306 4.7306 5.1232 5.1232 8.1227 8.1227 9.4124 9.4124 k = 0.0000 0.0000 0.0868 ( 8682 PWs) bands (ev): -14.0301 -14.0301 -13.5913 -13.5913 -12.3231 -12.3231 -12.2582 -12.2582 -12.2352 -12.2352 -12.0195 -12.0195 -9.9799 -9.9799 -9.6132 -9.6132 -3.5850 -3.5850 -3.2237 -3.2237 -3.1173 -3.1173 -2.8298 -2.8298 -1.5102 -1.5102 -0.9078 -0.9078 -0.7846 -0.7846 -0.6864 -0.6864 -0.4937 -0.4937 -0.4314 -0.4314 -0.1122 -0.1122 0.0022 0.0022 0.2724 0.2724 0.3721 0.3721 0.4571 0.4571 0.5863 0.5863 0.6137 0.6137 0.7312 0.7312 1.3130 1.3130 1.5014 1.5014 4.0710 4.0710 4.5454 4.5454 4.7199 4.7199 5.1145 5.1145 8.1435 8.1435 9.4063 9.4063 k = 0.0000 0.0000 0.1042 ( 8680 PWs) bands (ev): -14.0256 -14.0256 -13.5980 -13.5980 -12.3229 -12.3229 -12.2605 -12.2605 -12.2343 -12.2343 -12.0163 -12.0163 -9.9841 -9.9841 -9.6062 -9.6062 -3.5980 -3.5980 -3.2276 -3.2276 -3.1277 -3.1277 -2.8293 -2.8293 -1.4996 -1.4996 -0.9107 -0.9107 -0.7998 -0.7998 -0.6700 -0.6700 -0.4862 -0.4862 -0.4322 -0.4322 -0.0947 -0.0947 0.0103 0.0103 0.2747 0.2747 0.3747 0.3747 0.4618 0.4618 0.5826 0.5826 0.6154 0.6154 0.7284 0.7284 1.3106 1.3106 1.5157 1.5157 4.0615 4.0615 4.5145 4.5145 4.7078 4.7078 5.1049 5.1049 8.1684 8.1684 9.3981 9.3981 k = 0.0000 0.0000 0.1215 ( 8683 PWs) bands (ev): -14.0204 -14.0204 -13.6056 -13.6056 -12.3225 -12.3225 -12.2628 -12.2628 -12.2334 -12.2334 -12.0128 -12.0128 -9.9886 -9.9886 -9.5985 -9.5985 -3.6126 -3.6126 -3.2321 -3.2321 -3.1389 -3.1389 -2.8287 -2.8287 -1.4872 -1.4872 -0.9134 -0.9134 -0.8180 -0.8180 -0.6511 -0.6511 -0.4856 -0.4856 -0.4249 -0.4249 -0.0767 -0.0767 0.0201 0.0201 0.2727 0.2727 0.3821 0.3821 0.4650 0.4650 0.5800 0.5800 0.6187 0.6187 0.7252 0.7252 1.3084 1.3084 1.5309 1.5309 4.0498 4.0498 4.4793 4.4793 4.6949 4.6949 5.0948 5.0948 8.1975 8.1975 9.3875 9.3875 k = 0.0000 0.0000 0.1389 ( 8680 PWs) bands (ev): -14.0146 -14.0146 -13.6140 -13.6140 -12.3220 -12.3220 -12.2652 -12.2652 -12.2326 -12.2326 -12.0091 -12.0091 -9.9932 -9.9932 -9.5904 -9.5904 -3.6282 -3.6282 -3.2370 -3.2370 -3.1506 -3.1506 -2.8281 -2.8281 -1.4732 -1.4732 -0.9161 -0.9161 -0.8383 -0.8383 -0.6311 -0.6311 -0.4887 -0.4887 -0.4124 -0.4124 -0.0591 -0.0591 0.0311 0.0311 0.2678 0.2678 0.3924 0.3924 0.4671 0.4671 0.5787 0.5787 0.6243 0.6243 0.7219 0.7219 1.3064 1.3064 1.5466 1.5466 4.0358 4.0358 4.4405 4.4405 4.6820 4.6820 5.0845 5.0845 8.2303 8.2303 9.3740 9.3740 k = 0.0000 0.0000 0.1563 ( 8681 PWs) bands (ev): -14.0082 -14.0082 -13.6232 -13.6232 -12.3214 -12.3214 -12.2678 -12.2678 -12.2319 -12.2319 -12.0051 -12.0051 -9.9979 -9.9979 -9.5821 -9.5821 -3.6446 -3.6446 -3.2422 -3.2422 -3.1626 -3.1626 -2.8275 -2.8275 -1.4575 -1.4575 -0.9195 -0.9195 -0.8597 -0.8597 -0.6115 -0.6115 -0.4910 -0.4910 -0.3984 -0.3984 -0.0423 -0.0423 0.0419 0.0419 0.2622 0.2622 0.4027 0.4027 0.4691 0.4691 0.5782 0.5782 0.6324 0.6324 0.7189 0.7189 1.3046 1.3046 1.5624 1.5624 4.0197 4.0197 4.3987 4.3987 4.6698 4.6698 5.0744 5.0744 8.2668 8.2668 9.3571 9.3571 k = 0.0000 0.0000 0.1736 ( 8677 PWs) bands (ev): -14.0013 -14.0013 -13.6329 -13.6329 -12.3205 -12.3205 -12.2703 -12.2703 -12.2313 -12.2313 -12.0012 -12.0012 -10.0024 -10.0024 -9.5738 -9.5738 -3.6612 -3.6612 -3.2477 -3.2477 -3.1745 -3.1745 -2.8269 -2.8269 -1.4402 -1.4402 -0.9256 -0.9256 -0.8796 -0.8796 -0.5954 -0.5954 -0.4884 -0.4884 -0.3847 -0.3847 -0.0270 -0.0270 0.0511 0.0511 0.2579 0.2579 0.4101 0.4101 0.4734 0.4734 0.5781 0.5781 0.6422 0.6422 0.7173 0.7173 1.3030 1.3030 1.5780 1.5780 4.0017 4.0017 4.3549 4.3549 4.6588 4.6588 5.0645 5.0645 8.3066 8.3066 9.3363 9.3363 k = 0.0000 0.0000 0.1910 ( 8671 PWs) bands (ev): -13.9940 -13.9940 -13.6429 -13.6429 -12.3195 -12.3195 -12.2730 -12.2730 -12.2308 -12.2308 -11.9973 -11.9973 -10.0068 -10.0068 -9.5657 -9.5657 -3.6778 -3.6778 -3.2532 -3.2532 -3.1861 -3.1861 -2.8262 -2.8262 -1.4214 -1.4214 -0.9388 -0.9388 -0.8936 -0.8936 -0.5856 -0.5856 -0.4777 -0.4777 -0.3719 -0.3719 -0.0145 -0.0145 0.0578 0.0578 0.2561 0.2561 0.4133 0.4133 0.4815 0.4815 0.5782 0.5782 0.6513 0.6513 0.7190 0.7190 1.3016 1.3016 1.5929 1.5929 3.9824 3.9824 4.3099 4.3099 4.6495 4.6495 5.0550 5.0550 8.3495 8.3495 9.3111 9.3111 k = 0.0000 0.0000 0.2084 ( 8667 PWs) bands (ev): -13.9866 -13.9866 -13.6530 -13.6530 -12.3183 -12.3183 -12.2756 -12.2756 -12.2304 -12.2304 -11.9936 -11.9936 -10.0108 -10.0108 -9.5580 -9.5580 -3.6937 -3.6937 -3.2587 -3.2587 -3.1970 -3.1970 -2.8254 -2.8254 -1.4012 -1.4012 -0.9605 -0.9605 -0.9000 -0.9000 -0.5826 -0.5826 -0.4586 -0.4586 -0.3602 -0.3602 -0.0068 -0.0068 0.0627 0.0627 0.2571 0.2571 0.4135 0.4135 0.4930 0.4930 0.5785 0.5785 0.6564 0.6564 0.7265 0.7265 1.3003 1.3003 1.6069 1.6069 3.9624 3.9624 4.2648 4.2648 4.6419 4.6419 5.0461 5.0461 8.3951 8.3951 9.2810 9.2810 k = 0.0000 0.0000 0.2257 ( 8670 PWs) bands (ev): -13.9791 -13.9791 -13.6631 -13.6631 -12.3169 -12.3169 -12.2783 -12.2783 -12.2300 -12.2300 -11.9901 -11.9901 -10.0145 -10.0145 -9.5508 -9.5508 -3.7088 -3.7088 -3.2641 -3.2641 -3.2071 -3.2071 -2.8246 -2.8246 -1.3796 -1.3796 -0.9869 -0.9869 -0.9022 -0.9022 -0.5843 -0.5843 -0.4337 -0.4337 -0.3496 -0.3496 -0.0066 -0.0066 0.0683 0.0683 0.2595 0.2595 0.4133 0.4133 0.5060 0.5060 0.5792 0.5792 0.6561 0.6561 0.7401 0.7401 1.2992 1.2992 1.6197 1.6197 3.9424 3.9424 4.2207 4.2207 4.6361 4.6361 5.0378 5.0378 8.4432 8.4432 9.2457 9.2457 k = 0.0000 0.0000 0.2431 ( 8666 PWs) bands (ev): -13.9717 -13.9717 -13.6728 -13.6728 -12.3154 -12.3154 -12.2810 -12.2810 -12.2298 -12.2298 -11.9869 -11.9869 -10.0178 -10.0178 -9.5442 -9.5442 -3.7226 -3.7226 -3.2694 -3.2694 -3.2160 -3.2160 -2.8238 -2.8238 -1.3568 -1.3568 -1.0154 -1.0154 -0.9027 -0.9027 -0.5882 -0.5882 -0.4062 -0.4062 -0.3395 -0.3395 -0.0147 -0.0147 0.0763 0.0763 0.2613 0.2613 0.4146 0.4146 0.5192 0.5192 0.5804 0.5804 0.6519 0.6519 0.7572 0.7572 1.2981 1.2981 1.6311 1.6311 3.9234 3.9234 4.1789 4.1789 4.6320 4.6320 5.0303 5.0303 8.4934 8.4934 9.2054 9.2054 k = 0.0000 0.0000 0.2604 ( 8666 PWs) bands (ev): -13.9647 -13.9647 -13.6819 -13.6819 -12.3137 -12.3137 -12.2837 -12.2837 -12.2296 -12.2296 -11.9841 -11.9841 -10.0206 -10.0206 -9.5385 -9.5385 -3.7348 -3.7348 -3.2743 -3.2743 -3.2236 -3.2236 -2.8230 -2.8230 -1.3328 -1.3328 -1.0450 -1.0450 -0.9024 -0.9024 -0.5928 -0.5928 -0.3789 -0.3789 -0.3289 -0.3289 -0.0297 -0.0297 0.0863 0.0863 0.2612 0.2612 0.4182 0.4182 0.5313 0.5313 0.5825 0.5825 0.6457 0.6457 0.7753 0.7753 1.2972 1.2972 1.6410 1.6410 3.9060 3.9060 4.1406 4.1406 4.6292 4.6292 5.0237 5.0237 8.5451 8.5451 9.1606 9.1606 k = 0.0000 0.0000 0.2778 ( 8663 PWs) bands (ev): -13.9584 -13.9584 -13.6900 -13.6900 -12.3119 -12.3119 -12.2863 -12.2863 -12.2294 -12.2294 -11.9817 -11.9817 -10.0230 -10.0230 -9.5336 -9.5336 -3.7452 -3.7452 -3.2786 -3.2786 -3.2298 -3.2298 -2.8223 -2.8223 -1.3078 -1.3078 -1.0749 -1.0749 -0.9018 -0.9018 -0.5973 -0.5973 -0.3562 -0.3562 -0.3148 -0.3148 -0.0490 -0.0490 0.0968 0.0968 0.2588 0.2588 0.4238 0.4238 0.5413 0.5413 0.5858 0.5858 0.6385 0.6385 0.7922 0.7922 1.2965 1.2965 1.6491 1.6491 3.8911 3.8911 4.1069 4.1069 4.6275 4.6275 5.0181 5.0181 8.5975 8.5975 9.1127 9.1127 k = 0.0000 0.0000 0.2952 ( 8665 PWs) bands (ev): -13.9530 -13.9530 -13.6968 -13.6968 -12.3102 -12.3102 -12.2887 -12.2887 -12.2293 -12.2293 -11.9798 -11.9798 -10.0248 -10.0248 -9.5298 -9.5298 -3.7535 -3.7535 -3.2823 -3.2823 -3.2347 -3.2347 -2.8217 -2.8217 -1.2818 -1.2818 -1.1049 -1.1049 -0.9011 -0.9011 -0.6011 -0.6011 -0.3419 -0.3419 -0.2948 -0.2948 -0.0704 -0.0704 0.1067 0.1067 0.2547 0.2547 0.4302 0.4302 0.5486 0.5486 0.5904 0.5904 0.6313 0.6313 0.8067 0.8067 1.2958 1.2958 1.6556 1.6556 3.8791 3.8791 4.0791 4.0791 4.6265 4.6265 5.0135 5.0135 8.6493 8.6493 9.0634 9.0634 k = 0.0000 0.0000 0.3125 ( 8661 PWs) bands (ev): -13.9489 -13.9489 -13.7019 -13.7019 -12.3085 -12.3085 -12.2907 -12.2907 -12.2292 -12.2292 -11.9784 -11.9784 -10.0261 -10.0261 -9.5270 -9.5270 -3.7595 -3.7595 -3.2851 -3.2851 -3.2381 -3.2381 -2.8212 -2.8212 -1.2553 -1.2553 -1.1344 -1.1344 -0.9006 -0.9006 -0.6041 -0.6041 -0.3345 -0.3345 -0.2721 -0.2721 -0.0915 -0.0915 0.1149 0.1149 0.2503 0.2503 0.4360 0.4360 0.5531 0.5531 0.5956 0.5956 0.6246 0.6246 0.8178 0.8178 1.2954 1.2954 1.6602 1.6602 3.8704 3.8704 4.0582 4.0582 4.6260 4.6260 5.0102 5.0102 8.6978 8.6978 9.0161 9.0161 k = 0.0000 0.0000 0.3299 ( 8653 PWs) bands (ev): -13.9463 -13.9463 -13.7051 -13.7051 -12.3073 -12.3073 -12.2922 -12.2922 -12.2291 -12.2291 -11.9776 -11.9776 -10.0270 -10.0270 -9.5253 -9.5253 -3.7632 -3.7632 -3.2869 -3.2869 -3.2401 -3.2401 -2.8209 -2.8209 -1.2292 -1.2292 -1.1623 -1.1623 -0.9002 -0.9002 -0.6059 -0.6059 -0.3309 -0.3309 -0.2534 -0.2534 -0.1085 -0.1085 0.1204 0.1204 0.2468 0.2468 0.4400 0.4400 0.5556 0.5556 0.6003 0.6003 0.6193 0.6193 0.8247 0.8247 1.2951 1.2951 1.6630 1.6630 3.8651 3.8651 4.0453 4.0453 4.6258 4.6258 5.0082 5.0082 8.7369 8.7369 8.9777 8.9777 k = 0.0000 0.0000 0.3473 ( 8660 PWs) bands (ev): -13.9455 -13.9455 -13.7062 -13.7062 -12.3068 -12.3068 -12.2928 -12.2928 -12.2291 -12.2291 -11.9773 -11.9773 -10.0272 -10.0272 -9.5247 -9.5247 -3.7644 -3.7644 -3.2875 -3.2875 -3.2408 -3.2408 -2.8208 -2.8208 -1.2125 -1.2125 -1.1796 -1.1796 -0.9001 -0.9001 -0.6065 -0.6065 -0.3298 -0.3298 -0.2458 -0.2458 -0.1154 -0.1154 0.1223 0.1223 0.2456 0.2456 0.4414 0.4414 0.5564 0.5564 0.6025 0.6025 0.6169 0.6169 0.8270 0.8270 1.2950 1.2950 1.6639 1.6639 3.8634 3.8634 4.0409 4.0409 4.6258 4.6258 5.0075 5.0075 8.7533 8.7533 8.9614 8.9614 k = 0.5000-0.0807 0.2678 ( 8660 PWs) bands (ev): -13.7999 -13.7999 -13.6966 -13.6966 -12.4521 -12.4521 -12.4521 -12.4521 -12.1606 -12.1606 -11.9294 -11.9294 -10.0286 -10.0286 -9.5658 -9.5658 -3.6904 -3.6904 -3.4163 -3.4163 -3.3412 -3.3412 -3.0673 -3.0673 -1.8918 -1.8918 -0.9008 -0.9008 -0.3565 -0.3565 -0.2863 -0.2863 -0.2065 -0.2065 -0.1610 -0.1610 0.0550 0.0550 0.1342 0.1342 0.2772 0.2772 0.3355 0.3355 0.3923 0.3923 0.8154 0.8154 0.8305 0.8305 1.0166 1.0166 1.3812 1.3812 2.0028 2.0028 3.5475 3.5475 3.9600 3.9600 4.0951 4.0951 4.6723 4.6723 9.1510 9.1510 9.2059 9.2059 k = 0.4848-0.0783 0.2597 ( 8670 PWs) bands (ev): -13.8006 -13.8006 -13.6963 -13.6963 -12.4522 -12.4522 -12.4511 -12.4511 -12.1608 -12.1608 -11.9295 -11.9295 -10.0292 -10.0292 -9.5653 -9.5653 -3.6911 -3.6911 -3.4167 -3.4167 -3.3392 -3.3392 -3.0662 -3.0662 -1.8915 -1.8915 -0.9005 -0.9005 -0.3577 -0.3577 -0.2882 -0.2882 -0.2046 -0.2046 -0.1603 -0.1603 0.0528 0.0528 0.1329 0.1329 0.2756 0.2756 0.3322 0.3322 0.3958 0.3958 0.8146 0.8146 0.8309 0.8309 1.0158 1.0158 1.3810 1.3810 2.0017 2.0017 3.5501 3.5501 3.9601 3.9601 4.0981 4.0981 4.6722 4.6722 9.1478 9.1478 9.2116 9.2116 k = 0.4697-0.0758 0.2515 ( 8676 PWs) bands (ev): -13.8027 -13.8027 -13.6955 -13.6955 -12.4515 -12.4515 -12.4491 -12.4491 -12.1614 -12.1614 -11.9298 -11.9298 -10.0309 -10.0309 -9.5639 -9.5639 -3.6930 -3.6930 -3.4175 -3.4175 -3.3335 -3.3335 -3.0627 -3.0627 -1.8905 -1.8905 -0.8996 -0.8996 -0.3615 -0.3615 -0.2928 -0.2928 -0.1995 -0.1995 -0.1579 -0.1579 0.0461 0.0461 0.1291 0.1291 0.2709 0.2709 0.3237 0.3237 0.4046 0.4046 0.8114 0.8114 0.8327 0.8327 1.0132 1.0132 1.3805 1.3805 1.9986 1.9986 3.5581 3.5581 3.9609 3.9609 4.1070 4.1070 4.6719 4.6719 9.1403 9.1403 9.2261 9.2261 k = 0.4545-0.0734 0.2434 ( 8674 PWs) bands (ev): -13.8063 -13.8063 -13.6940 -13.6940 -12.4501 -12.4501 -12.4461 -12.4461 -12.1623 -12.1623 -11.9303 -11.9303 -10.0337 -10.0337 -9.5617 -9.5617 -3.6960 -3.6960 -3.4181 -3.4181 -3.3251 -3.3251 -3.0569 -3.0569 -1.8890 -1.8890 -0.8982 -0.8982 -0.3695 -0.3695 -0.2974 -0.2974 -0.1927 -0.1927 -0.1541 -0.1541 0.0354 0.0354 0.1232 0.1232 0.2634 0.2634 0.3125 0.3125 0.4161 0.4161 0.8050 0.8050 0.8363 0.8363 1.0092 1.0092 1.3798 1.3798 1.9935 1.9935 3.5711 3.5711 3.9630 3.9630 4.1209 4.1209 4.6714 4.6714 9.1311 9.1311 9.2461 9.2461 k = 0.4394-0.0709 0.2353 ( 8672 PWs) bands (ev): -13.8111 -13.8111 -13.6920 -13.6920 -12.4481 -12.4481 -12.4420 -12.4420 -12.1636 -12.1636 -11.9311 -11.9311 -10.0373 -10.0373 -9.5588 -9.5588 -3.7000 -3.7000 -3.4178 -3.4178 -3.3148 -3.3148 -3.0488 -3.0488 -1.8868 -1.8868 -0.8962 -0.8962 -0.3828 -0.3828 -0.2997 -0.2997 -0.1854 -0.1854 -0.1489 -0.1489 0.0210 0.0210 0.1154 0.1154 0.2534 0.2534 0.2996 0.2996 0.4291 0.4291 0.7956 0.7956 0.8412 0.8412 1.0037 1.0037 1.3788 1.3788 1.9862 1.9862 3.5888 3.5888 3.9672 3.9672 4.1390 4.1390 4.6709 4.6709 9.1204 9.1204 9.2697 9.2697 k = 0.4242-0.0685 0.2272 ( 8668 PWs) bands (ev): -13.8171 -13.8171 -13.6895 -13.6895 -12.4455 -12.4455 -12.4369 -12.4369 -12.1653 -12.1653 -11.9320 -11.9320 -10.0418 -10.0418 -9.5553 -9.5553 -3.7047 -3.7047 -3.4161 -3.4161 -3.3034 -3.3034 -3.0384 -3.0384 -1.8840 -1.8840 -0.8937 -0.8937 -0.4013 -0.4013 -0.2991 -0.2991 -0.1784 -0.1784 -0.1427 -0.1427 0.0039 0.0039 0.1061 0.1061 0.2415 0.2415 0.2855 0.2855 0.4427 0.4427 0.7836 0.7836 0.8465 0.8465 0.9970 0.9970 1.3776 1.3776 1.9769 1.9769 3.6108 3.6108 3.9743 3.9743 4.1605 4.1605 4.6703 4.6703 9.1076 9.1076 9.2958 9.2958 k = 0.4091-0.0660 0.2191 ( 8669 PWs) bands (ev): -13.8241 -13.8241 -13.6866 -13.6866 -12.4423 -12.4423 -12.4310 -12.4310 -12.1672 -12.1672 -11.9332 -11.9332 -10.0467 -10.0467 -9.5514 -9.5514 -3.7097 -3.7097 -3.4130 -3.4130 -3.2916 -3.2916 -3.0259 -3.0259 -1.8805 -1.8805 -0.8906 -0.8906 -0.4241 -0.4241 -0.2965 -0.2965 -0.1721 -0.1721 -0.1362 -0.1362 -0.0146 -0.0146 0.0958 0.0958 0.2281 0.2281 0.2702 0.2702 0.4566 0.4566 0.7692 0.7692 0.8513 0.8513 0.9893 0.9893 1.3762 1.3762 1.9655 1.9655 3.6365 3.6365 3.9848 3.9848 4.1846 4.1846 4.6699 4.6699 9.0915 9.0915 9.3228 9.3228 k = 0.3939-0.0636 0.2110 ( 8669 PWs) bands (ev): -13.8322 -13.8322 -13.6832 -13.6832 -12.4386 -12.4386 -12.4242 -12.4242 -12.1695 -12.1695 -11.9346 -11.9346 -10.0520 -10.0520 -9.5473 -9.5473 -3.7147 -3.7147 -3.4082 -3.4082 -3.2797 -3.2797 -3.0115 -3.0115 -1.8762 -1.8762 -0.8869 -0.8869 -0.4503 -0.4503 -0.2928 -0.2928 -0.1671 -0.1671 -0.1305 -0.1305 -0.0323 -0.0323 0.0846 0.0846 0.2138 0.2138 0.2539 0.2539 0.4704 0.4704 0.7530 0.7530 0.8549 0.8549 0.9808 0.9808 1.3748 1.3748 1.9521 1.9521 3.6652 3.6652 3.9993 3.9993 4.2105 4.2105 4.6699 4.6699 9.0708 9.0708 9.3492 9.3492 k = 0.3788-0.0611 0.2029 ( 8672 PWs) bands (ev): -13.8410 -13.8410 -13.6795 -13.6795 -12.4343 -12.4343 -12.4168 -12.4168 -12.1720 -12.1720 -11.9362 -11.9362 -10.0573 -10.0573 -9.5432 -9.5432 -3.7195 -3.7195 -3.4018 -3.4018 -3.2680 -3.2680 -2.9955 -2.9955 -1.8713 -1.8713 -0.8826 -0.8826 -0.4791 -0.4791 -0.2891 -0.2891 -0.1650 -0.1650 -0.1263 -0.1263 -0.0463 -0.0463 0.0729 0.0729 0.1993 0.1993 0.2366 0.2366 0.4839 0.4839 0.7352 0.7352 0.8566 0.8566 0.9717 0.9717 1.3733 1.3733 1.9367 1.9367 3.6964 3.6964 4.0178 4.0178 4.2378 4.2378 4.6705 4.6705 9.0448 9.0448 9.3732 9.3732 k = 0.3636-0.0587 0.1947 ( 8676 PWs) bands (ev): -13.8506 -13.8506 -13.6755 -13.6755 -12.4296 -12.4296 -12.4089 -12.4089 -12.1748 -12.1748 -11.9381 -11.9381 -10.0625 -10.0625 -9.5393 -9.5393 -3.7238 -3.7238 -3.3940 -3.3940 -3.2566 -3.2566 -2.9780 -2.9780 -1.8655 -1.8655 -0.8777 -0.8777 -0.5099 -0.5099 -0.2869 -0.2869 -0.1680 -0.1680 -0.1231 -0.1231 -0.0543 -0.0543 0.0611 0.0611 0.1847 0.1847 0.2189 0.2189 0.4967 0.4967 0.7163 0.7163 0.8560 0.8560 0.9621 0.9621 1.3719 1.3719 1.9195 1.9195 3.7293 3.7293 4.0406 4.0406 4.2657 4.2657 4.6720 4.6720 9.0130 9.0130 9.3937 9.3937 k = 0.3485-0.0563 0.1866 ( 8675 PWs) bands (ev): -13.8608 -13.8608 -13.6711 -13.6711 -12.4244 -12.4244 -12.4006 -12.4006 -12.1778 -12.1778 -11.9403 -11.9403 -10.0673 -10.0673 -9.5358 -9.5358 -3.7273 -3.7273 -3.3849 -3.3849 -3.2457 -3.2457 -2.9596 -2.9596 -1.8588 -1.8588 -0.8723 -0.8723 -0.5421 -0.5421 -0.2883 -0.2883 -0.1762 -0.1762 -0.1195 -0.1195 -0.0565 -0.0565 0.0495 0.0495 0.1699 0.1699 0.2022 0.2022 0.5087 0.5087 0.6969 0.6969 0.8530 0.8530 0.9521 0.9521 1.3705 1.3705 1.9004 1.9004 3.7633 3.7633 4.0674 4.0674 4.2937 4.2937 4.6749 4.6749 8.9756 8.9756 9.4102 9.4102 k = 0.3333-0.0538 0.1785 ( 8675 PWs) bands (ev): -13.8714 -13.8714 -13.6665 -13.6665 -12.4188 -12.4188 -12.3920 -12.3920 -12.1810 -12.1810 -11.9427 -11.9427 -10.0716 -10.0716 -9.5327 -9.5327 -3.7298 -3.7298 -3.3747 -3.3747 -3.2351 -3.2351 -2.9407 -2.9407 -1.8513 -1.8513 -0.8663 -0.8663 -0.5752 -0.5752 -0.2956 -0.2956 -0.1856 -0.1856 -0.1162 -0.1162 -0.0548 -0.0548 0.0385 0.0385 0.1536 0.1536 0.1890 0.1890 0.5194 0.5194 0.6774 0.6774 0.8474 0.8474 0.9415 0.9415 1.3692 1.3692 1.8797 1.8797 3.7981 3.7981 4.0979 4.0979 4.3211 4.3211 4.6798 4.6798 8.9333 8.9333 9.4234 9.4234 k = 0.3182-0.0514 0.1704 ( 8678 PWs) bands (ev): -13.8824 -13.8824 -13.6616 -13.6616 -12.4129 -12.4129 -12.3833 -12.3833 -12.1844 -12.1844 -11.9454 -11.9454 -10.0751 -10.0751 -9.5304 -9.5304 -3.7312 -3.7312 -3.3636 -3.3636 -3.2248 -3.2248 -2.9217 -2.9217 -1.8428 -1.8428 -0.8597 -0.8597 -0.6086 -0.6086 -0.3106 -0.3106 -0.1922 -0.1922 -0.1157 -0.1157 -0.0505 -0.0505 0.0281 0.0281 0.1346 0.1346 0.1821 0.1821 0.5281 0.5281 0.6588 0.6588 0.8394 0.8394 0.9303 0.9303 1.3679 1.3679 1.8575 1.8575 3.8331 3.8331 4.1315 4.1315 4.3475 4.3475 4.6871 4.6871 8.8866 8.8866 9.4341 9.4341 k = 0.3030-0.0489 0.1623 ( 8672 PWs) bands (ev): -13.8937 -13.8937 -13.6565 -13.6565 -12.4066 -12.4066 -12.3745 -12.3745 -12.1879 -12.1879 -11.9484 -11.9484 -10.0778 -10.0778 -9.5288 -9.5288 -3.7312 -3.7312 -3.3518 -3.3518 -3.2148 -3.2148 -2.9031 -2.9031 -1.8333 -1.8333 -0.8525 -0.8525 -0.6420 -0.6420 -0.3322 -0.3322 -0.1954 -0.1954 -0.1202 -0.1202 -0.0439 -0.0439 0.0186 0.0186 0.1139 0.1139 0.1819 0.1819 0.5340 0.5340 0.6421 0.6421 0.8289 0.8289 0.9186 0.9186 1.3667 1.3667 1.8341 1.8341 3.8680 3.8680 4.1673 4.1673 4.3722 4.3722 4.6976 4.6976 8.8367 8.8367 9.4434 9.4434 k = 0.2879-0.0465 0.1542 ( 8667 PWs) bands (ev): -13.9050 -13.9050 -13.6512 -13.6512 -12.4001 -12.4001 -12.3657 -12.3657 -12.1916 -12.1916 -11.9516 -11.9516 -10.0795 -10.0795 -9.5280 -9.5280 -3.7299 -3.7299 -3.3396 -3.3396 -3.2049 -3.2049 -2.8853 -2.8853 -1.8227 -1.8227 -0.8448 -0.8448 -0.6747 -0.6747 -0.3583 -0.3583 -0.1972 -0.1972 -0.1296 -0.1296 -0.0379 -0.0379 0.0118 0.0118 0.0932 0.0932 0.1880 0.1880 0.5357 0.5357 0.6288 0.6288 0.8161 0.8161 0.9064 0.9064 1.3655 1.3655 1.8096 1.8096 3.9025 3.9025 4.2044 4.2044 4.3953 4.3953 4.7116 4.7116 8.7842 8.7842 9.4521 9.4521 k = 0.2727-0.0440 0.1461 ( 8670 PWs) bands (ev): -13.9164 -13.9164 -13.6457 -13.6457 -12.3935 -12.3935 -12.3570 -12.3570 -12.1953 -12.1953 -11.9551 -11.9551 -10.0800 -10.0800 -9.5282 -9.5282 -3.7271 -3.7271 -3.3271 -3.3271 -3.1951 -3.1951 -2.8687 -2.8687 -1.8109 -1.8109 -0.8366 -0.8366 -0.7063 -0.7063 -0.3869 -0.3869 -0.2001 -0.2001 -0.1420 -0.1420 -0.0395 -0.0395 0.0121 0.0121 0.0749 0.0749 0.1992 0.1992 0.5318 0.5318 0.6204 0.6204 0.8011 0.8011 0.8939 0.8939 1.3643 1.3643 1.7842 1.7842 3.9361 3.9361 4.2415 4.2415 4.4169 4.4169 4.7295 4.7295 8.7302 8.7302 9.4610 9.4610 k = 0.2576-0.0416 0.1379 ( 8664 PWs) bands (ev): -13.9278 -13.9278 -13.6402 -13.6402 -12.3868 -12.3868 -12.3484 -12.3484 -12.1992 -12.1992 -11.9589 -11.9589 -10.0793 -10.0793 -9.5294 -9.5294 -3.7228 -3.7228 -3.3147 -3.3147 -3.1852 -3.1852 -2.8536 -2.8536 -1.7979 -1.7979 -0.8281 -0.8281 -0.7364 -0.7364 -0.4165 -0.4165 -0.2074 -0.2074 -0.1542 -0.1542 -0.0520 -0.0520 0.0188 0.0188 0.0631 0.0631 0.2145 0.2145 0.5225 0.5225 0.6166 0.6166 0.7841 0.7841 0.8813 0.8813 1.3630 1.3630 1.7583 1.7583 3.9683 3.9683 4.2776 4.2776 4.4378 4.4378 4.7511 4.7511 8.6753 8.6753 9.4704 9.4704 k = 0.2424-0.0391 0.1298 ( 8663 PWs) bands (ev): -13.9389 -13.9389 -13.6346 -13.6346 -12.3801 -12.3801 -12.3400 -12.3400 -12.2031 -12.2031 -11.9630 -11.9630 -10.0774 -10.0774 -9.5317 -9.5317 -3.7170 -3.7170 -3.3026 -3.3026 -3.1753 -3.1753 -2.8405 -2.8405 -1.7837 -1.7837 -0.8194 -0.8194 -0.7642 -0.7642 -0.4464 -0.4464 -0.2214 -0.2214 -0.1634 -0.1634 -0.0715 -0.0715 0.0204 0.0204 0.0657 0.0657 0.2329 0.2329 0.5096 0.5096 0.6157 0.6157 0.7653 0.7653 0.8689 0.8689 1.3616 1.3616 1.7320 1.7320 3.9986 3.9986 4.3112 4.3112 4.4592 4.4592 4.7761 4.7761 8.6203 8.6203 9.4806 9.4806 k = 0.2273-0.0367 0.1217 ( 8655 PWs) bands (ev): -13.9498 -13.9498 -13.6289 -13.6289 -12.3735 -12.3735 -12.3317 -12.3317 -12.2070 -12.2070 -11.9673 -11.9673 -10.0742 -10.0742 -9.5350 -9.5350 -3.7098 -3.7098 -3.2911 -3.2911 -3.1652 -3.1652 -2.8296 -2.8296 -1.7683 -1.7683 -0.8119 -0.8119 -0.7884 -0.7884 -0.4758 -0.4758 -0.2417 -0.2417 -0.1706 -0.1706 -0.0944 -0.0944 0.0148 0.0148 0.0819 0.0819 0.2535 0.2535 0.4948 0.4948 0.6155 0.6155 0.7455 0.7455 0.8568 0.8568 1.3600 1.3600 1.7056 1.7056 4.0262 4.0262 4.3416 4.3416 4.4822 4.4822 4.8039 4.8039 8.5657 8.5657 9.4918 9.4918 k = 0.2121-0.0342 0.1136 ( 8656 PWs) bands (ev): -13.9604 -13.9604 -13.6233 -13.6233 -12.3671 -12.3671 -12.3235 -12.3235 -12.2110 -12.2110 -11.9719 -11.9719 -10.0698 -10.0698 -9.5393 -9.5393 -3.7011 -3.7011 -3.2802 -3.2802 -3.1551 -3.1551 -2.8209 -2.8209 -1.7516 -1.7516 -0.8183 -0.8183 -0.7960 -0.7960 -0.5043 -0.5043 -0.2658 -0.2658 -0.1789 -0.1789 -0.1172 -0.1172 0.0080 0.0080 0.1040 0.1040 0.2755 0.2755 0.4795 0.4795 0.6139 0.6139 0.7257 0.7257 0.8452 0.8452 1.3583 1.3583 1.6794 1.6794 4.0505 4.0505 4.3688 4.3688 4.5075 4.5075 4.8339 4.8339 8.5122 8.5122 9.5039 9.5039 k = 0.1970-0.0318 0.1055 ( 8656 PWs) bands (ev): -13.9705 -13.9705 -13.6178 -13.6178 -12.3610 -12.3610 -12.3154 -12.3154 -12.2149 -12.2149 -11.9766 -11.9766 -10.0641 -10.0641 -9.5446 -9.5446 -3.6911 -3.6911 -3.2702 -3.2702 -3.1449 -3.1449 -2.8146 -2.8146 -1.7338 -1.7338 -0.8370 -0.8370 -0.7886 -0.7886 -0.5315 -0.5315 -0.2919 -0.2919 -0.1928 -0.1928 -0.1356 -0.1356 0.0020 0.0020 0.1285 0.1285 0.2982 0.2982 0.4643 0.4643 0.6090 0.6090 0.7078 0.7078 0.8340 0.8340 1.3563 1.3563 1.6536 1.6536 4.0707 4.0707 4.3934 4.3934 4.5346 4.5346 4.8653 4.8653 8.4602 8.4602 9.5166 9.5166 k = 0.1818-0.0294 0.0974 ( 8657 PWs) bands (ev): -13.9802 -13.9802 -13.6124 -13.6124 -12.3553 -12.3553 -12.3073 -12.3073 -12.2188 -12.2188 -11.9816 -11.9816 -10.0574 -10.0574 -9.5508 -9.5508 -3.6799 -3.6799 -3.2611 -3.2611 -3.1349 -3.1349 -2.8107 -2.8107 -1.7150 -1.7150 -0.8543 -0.8543 -0.7803 -0.7803 -0.5571 -0.5571 -0.3189 -0.3189 -0.2144 -0.2144 -0.1470 -0.1470 -0.0028 -0.0028 0.1542 0.1542 0.3210 0.3210 0.4499 0.4499 0.5993 0.5993 0.6934 0.6934 0.8233 0.8233 1.3540 1.3540 1.6285 1.6285 4.0865 4.0865 4.4167 4.4167 4.5626 4.5626 4.8973 4.8973 8.4102 8.4102 9.5294 9.5294 k = 0.1667-0.0269 0.0893 ( 8668 PWs) bands (ev): -13.9893 -13.9893 -13.6072 -13.6072 -12.3501 -12.3501 -12.2994 -12.2994 -12.2227 -12.2227 -11.9867 -11.9867 -10.0497 -10.0497 -9.5579 -9.5579 -3.6676 -3.6676 -3.2530 -3.2530 -3.1253 -3.1253 -2.8089 -2.8089 -1.6954 -1.6954 -0.8688 -0.8688 -0.7725 -0.7725 -0.5808 -0.5808 -0.3460 -0.3460 -0.2411 -0.2411 -0.1533 -0.1533 -0.0065 -0.0065 0.1802 0.1802 0.3429 0.3429 0.4365 0.4365 0.5847 0.5847 0.6834 0.6834 0.8130 0.8130 1.3514 1.3514 1.6044 1.6044 4.0977 4.0977 4.4399 4.4399 4.5905 4.5905 4.9294 4.9294 8.3626 8.3626 9.5415 9.5415 k = 0.1515-0.0245 0.0811 ( 8669 PWs) bands (ev): -13.9978 -13.9978 -13.6023 -13.6023 -12.3453 -12.3453 -12.2915 -12.2915 -12.2265 -12.2265 -11.9918 -11.9918 -10.0411 -10.0411 -9.5657 -9.5657 -3.6546 -3.6546 -3.2458 -3.2458 -3.1163 -3.1163 -2.8090 -2.8090 -1.6753 -1.6753 -0.8804 -0.8804 -0.7661 -0.7661 -0.6021 -0.6021 -0.3725 -0.3725 -0.2694 -0.2694 -0.1571 -0.1571 -0.0095 -0.0095 0.2061 0.2061 0.3617 0.3617 0.4256 0.4256 0.5670 0.5670 0.6769 0.6769 0.8031 0.8031 1.3486 1.3486 1.5815 1.5815 4.1048 4.1048 4.4632 4.4632 4.6173 4.6173 4.9609 4.9609 8.3177 8.3177 9.5508 9.5508 k = 0.1364-0.0220 0.0730 ( 8674 PWs) bands (ev): -14.0056 -14.0056 -13.5976 -13.5976 -12.3411 -12.3411 -12.2838 -12.2838 -12.2302 -12.2302 -11.9970 -11.9970 -10.0319 -10.0319 -9.5740 -9.5740 -3.6409 -3.6409 -3.2395 -3.2395 -3.1082 -3.1082 -2.8106 -2.8106 -1.6548 -1.6548 -0.8892 -0.8892 -0.7615 -0.7615 -0.6210 -0.6210 -0.3980 -0.3980 -0.2973 -0.2973 -0.1597 -0.1597 -0.0117 -0.0117 0.2312 0.2312 0.3726 0.3726 0.4211 0.4211 0.5493 0.5493 0.6724 0.6724 0.7935 0.7935 1.3455 1.3455 1.5600 1.5600 4.1083 4.1083 4.4868 4.4868 4.6423 4.6423 4.9913 4.9913 8.2760 8.2760 9.5536 9.5536 k = 0.1212-0.0196 0.0649 ( 8671 PWs) bands (ev): -14.0128 -14.0128 -13.5932 -13.5932 -12.3373 -12.3373 -12.2764 -12.2764 -12.2336 -12.2336 -12.0021 -12.0021 -10.0222 -10.0222 -9.5827 -9.5827 -3.6269 -3.6269 -3.2341 -3.2341 -3.1014 -3.1014 -2.8134 -2.8134 -1.6345 -1.6345 -0.8953 -0.8953 -0.7591 -0.7591 -0.6374 -0.6374 -0.4220 -0.4220 -0.3233 -0.3233 -0.1616 -0.1616 -0.0133 -0.0133 0.2546 0.2546 0.3702 0.3702 0.4269 0.4269 0.5347 0.5347 0.6684 0.6684 0.7843 0.7843 1.3421 1.3421 1.5403 1.5403 4.1090 4.1090 4.5102 4.5102 4.6650 4.6650 5.0200 5.0200 8.2377 8.2377 9.5438 9.5438 k = 0.1061-0.0171 0.0568 ( 8679 PWs) bands (ev): -14.0192 -14.0192 -13.5893 -13.5893 -12.3340 -12.3340 -12.2693 -12.2693 -12.2368 -12.2368 -12.0071 -12.0071 -10.0125 -10.0125 -9.5916 -9.5916 -3.6129 -3.6129 -3.2294 -3.2294 -3.0960 -3.0960 -2.8167 -2.8167 -1.6148 -1.6148 -0.8991 -0.8991 -0.7586 -0.7586 -0.6517 -0.6517 -0.4444 -0.4444 -0.3464 -0.3464 -0.1629 -0.1629 -0.0144 -0.0144 0.2747 0.2747 0.3605 0.3605 0.4362 0.4362 0.5264 0.5264 0.6644 0.6644 0.7755 0.7755 1.3385 1.3385 1.5225 1.5225 4.1076 4.1076 4.5327 4.5327 4.6853 4.6853 5.0465 5.0465 8.2031 8.2031 9.5232 9.5232 k = 0.0909-0.0147 0.0487 ( 8676 PWs) bands (ev): -14.0248 -14.0248 -13.5857 -13.5857 -12.3312 -12.3312 -12.2628 -12.2628 -12.2397 -12.2397 -12.0118 -12.0118 -10.0028 -10.0028 -9.6003 -9.6003 -3.5994 -3.5994 -3.2255 -3.2255 -3.0922 -3.0922 -2.8203 -2.8203 -1.5960 -1.5960 -0.9009 -0.9009 -0.7596 -0.7596 -0.6646 -0.6646 -0.4652 -0.4652 -0.3655 -0.3655 -0.1639 -0.1639 -0.0149 -0.0149 0.2879 0.2879 0.3524 0.3524 0.4416 0.4416 0.5269 0.5269 0.6597 0.6597 0.7671 0.7671 1.3349 1.3349 1.5068 1.5068 4.1050 4.1050 4.5538 4.5538 4.7029 4.7029 5.0703 5.0703 8.1726 8.1726 9.4996 9.4996 k = 0.0758-0.0122 0.0406 ( 8684 PWs) bands (ev): -14.0296 -14.0296 -13.5827 -13.5827 -12.3288 -12.3288 -12.2572 -12.2572 -12.2420 -12.2420 -12.0162 -12.0162 -9.9937 -9.9937 -9.6085 -9.6085 -3.5868 -3.5868 -3.2221 -3.2221 -3.0899 -3.0899 -2.8237 -2.8237 -1.5789 -1.5789 -0.9012 -0.9012 -0.7611 -0.7611 -0.6766 -0.6766 -0.4842 -0.4842 -0.3800 -0.3800 -0.1646 -0.1646 -0.0149 -0.0149 0.2888 0.2888 0.3533 0.3533 0.4421 0.4421 0.5354 0.5354 0.6540 0.6540 0.7593 0.7593 1.3314 1.3314 1.4934 1.4934 4.1017 4.1017 4.5728 4.5728 4.7177 4.7177 5.0912 5.0912 8.1464 8.1464 9.4772 9.4772 k = 0.0606-0.0098 0.0325 ( 8688 PWs) bands (ev): -14.0335 -14.0335 -13.5801 -13.5801 -12.3269 -12.3269 -12.2529 -12.2529 -12.2434 -12.2434 -12.0200 -12.0200 -9.9855 -9.9855 -9.6160 -9.6160 -3.5755 -3.5755 -3.2193 -3.2193 -3.0889 -3.0889 -2.8266 -2.8266 -1.5639 -1.5639 -0.9005 -0.9005 -0.7621 -0.7621 -0.6883 -0.6883 -0.5013 -0.5013 -0.3900 -0.3900 -0.1650 -0.1650 -0.0144 -0.0144 0.2792 0.2792 0.3625 0.3625 0.4398 0.4398 0.5486 0.5486 0.6473 0.6473 0.7523 0.7523 1.3282 1.3282 1.4823 1.4823 4.0983 4.0983 4.5893 4.5893 4.7298 4.7298 5.1088 5.1088 8.1246 8.1246 9.4579 9.4579 k = 0.0455-0.0073 0.0243 ( 8687 PWs) bands (ev): -14.0366 -14.0366 -13.5781 -13.5781 -12.3254 -12.3254 -12.2509 -12.2509 -12.2430 -12.2430 -12.0231 -12.0231 -9.9785 -9.9785 -9.6223 -9.6223 -3.5660 -3.5660 -3.2171 -3.2171 -3.0888 -3.0888 -2.8289 -2.8289 -1.5515 -1.5515 -0.8994 -0.8994 -0.7620 -0.7620 -0.6993 -0.6993 -0.5158 -0.5158 -0.3962 -0.3962 -0.1653 -0.1653 -0.0136 -0.0136 0.2667 0.2667 0.3738 0.3738 0.4369 0.4369 0.5635 0.5635 0.6394 0.6394 0.7463 0.7463 1.3253 1.3253 1.4737 1.4737 4.0952 4.0952 4.6026 4.6026 4.7391 4.7391 5.1227 5.1227 8.1075 8.1075 9.4423 9.4423 k = 0.0303-0.0049 0.0162 ( 8681 PWs) bands (ev): -14.0388 -14.0388 -13.5766 -13.5766 -12.3243 -12.3243 -12.2508 -12.2508 -12.2413 -12.2413 -12.0255 -12.0255 -9.9732 -9.9732 -9.6272 -9.6272 -3.5589 -3.5589 -3.2155 -3.2155 -3.0893 -3.0893 -2.8306 -2.8306 -1.5423 -1.5423 -0.8983 -0.8983 -0.7606 -0.7606 -0.7091 -0.7091 -0.5270 -0.5270 -0.3995 -0.3995 -0.1655 -0.1655 -0.0127 -0.0127 0.2556 0.2556 0.3834 0.3834 0.4344 0.4344 0.5786 0.5786 0.6303 0.6303 0.7417 0.7417 1.3231 1.3231 1.4676 1.4676 4.0928 4.0928 4.6124 4.6124 4.7457 4.7457 5.1328 5.1328 8.0951 8.0951 9.4310 9.4310 k = 0.0152-0.0024 0.0081 ( 8683 PWs) bands (ev): -14.0402 -14.0402 -13.5757 -13.5757 -12.3236 -12.3236 -12.2512 -12.2512 -12.2398 -12.2398 -12.0270 -12.0270 -9.9699 -9.9699 -9.6302 -9.6302 -3.5545 -3.5545 -3.2146 -3.2146 -3.0897 -3.0897 -2.8315 -2.8315 -1.5366 -1.5366 -0.8975 -0.8975 -0.7586 -0.7586 -0.7163 -0.7163 -0.5341 -0.5341 -0.4011 -0.4011 -0.1656 -0.1656 -0.0120 -0.0120 0.2482 0.2482 0.3898 0.3898 0.4326 0.4326 0.5926 0.5926 0.6200 0.6200 0.7387 0.7387 1.3218 1.3218 1.4639 1.4639 4.0913 4.0913 4.6184 4.6184 4.7497 4.7497 5.1389 5.1389 8.0877 8.0877 9.4241 9.4241 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -14.0406 -14.0406 -13.5754 -13.5754 -12.3234 -12.3234 -12.2514 -12.2514 -12.2392 -12.2392 -12.0275 -12.0275 -9.9688 -9.9688 -9.6312 -9.6312 -3.5529 -3.5529 -3.2142 -3.2142 -3.0899 -3.0899 -2.8319 -2.8319 -1.5346 -1.5346 -0.8972 -0.8972 -0.7576 -0.7576 -0.7191 -0.7191 -0.5365 -0.5365 -0.4015 -0.4015 -0.1657 -0.1657 -0.0118 -0.0118 0.2457 0.2457 0.3920 0.3920 0.4319 0.4319 0.6020 0.6020 0.6120 0.6120 0.7377 0.7377 1.3213 1.3213 1.4627 1.4627 4.0907 4.0907 4.6204 4.6204 4.7510 4.7510 5.1410 5.1410 8.0852 8.0852 9.4218 9.4218 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -14.0406 -14.0406 -13.5754 -13.5754 -12.3234 -12.3234 -12.2514 -12.2514 -12.2392 -12.2392 -12.0275 -12.0275 -9.9688 -9.9688 -9.6312 -9.6312 -3.5529 -3.5529 -3.2142 -3.2142 -3.0899 -3.0899 -2.8319 -2.8319 -1.5346 -1.5346 -0.8972 -0.8972 -0.7576 -0.7576 -0.7191 -0.7191 -0.5365 -0.5365 -0.4015 -0.4015 -0.1657 -0.1657 -0.0118 -0.0118 0.2457 0.2457 0.3920 0.3920 0.4319 0.4319 0.6020 0.6020 0.6120 0.6120 0.7377 0.7377 1.3213 1.3213 1.4627 1.4627 4.0907 4.0907 4.6204 4.6204 4.7510 4.7510 5.1410 5.1410 8.0852 8.0852 9.4218 9.4218 k = 0.0000 0.0157 0.0065 ( 8686 PWs) bands (ev): -14.0403 -14.0403 -13.5755 -13.5755 -12.3234 -12.3234 -12.2516 -12.2516 -12.2396 -12.2396 -12.0273 -12.0273 -9.9689 -9.9689 -9.6310 -9.6310 -3.5538 -3.5538 -3.2142 -3.2142 -3.0904 -3.0904 -2.8315 -2.8315 -1.5348 -1.5348 -0.8981 -0.8981 -0.7592 -0.7592 -0.7177 -0.7177 -0.5340 -0.5340 -0.4010 -0.4010 -0.1650 -0.1650 -0.0116 -0.0116 0.2463 0.2463 0.3914 0.3914 0.4307 0.4307 0.6012 0.6012 0.6135 0.6135 0.7381 0.7381 1.3206 1.3206 1.4638 1.4638 4.0906 4.0906 4.6196 4.6196 4.7503 4.7503 5.1397 5.1397 8.0881 8.0881 9.4226 9.4226 k = 0.0000 0.0314 0.0131 ( 8692 PWs) bands (ev): -14.0394 -14.0394 -13.5758 -13.5758 -12.3233 -12.3233 -12.2522 -12.2522 -12.2408 -12.2408 -12.0268 -12.0268 -9.9693 -9.9693 -9.6303 -9.6303 -3.5562 -3.5562 -3.2143 -3.2143 -3.0917 -3.0917 -2.8303 -2.8303 -1.5353 -1.5353 -0.9004 -0.9004 -0.7634 -0.7634 -0.7140 -0.7140 -0.5268 -0.5268 -0.3992 -0.3992 -0.1631 -0.1631 -0.0112 -0.0112 0.2480 0.2480 0.3898 0.3898 0.4271 0.4271 0.5998 0.5998 0.6168 0.6168 0.7394 0.7394 1.3185 1.3185 1.4669 1.4669 4.0902 4.0902 4.6170 4.6170 4.7482 4.7482 5.1357 5.1357 8.0967 8.0967 9.4249 9.4249 k = 0.0000 0.0470 0.0196 ( 8684 PWs) bands (ev): -14.0378 -14.0378 -13.5763 -13.5763 -12.3231 -12.3231 -12.2533 -12.2533 -12.2427 -12.2427 -12.0259 -12.0259 -9.9700 -9.9700 -9.6290 -9.6290 -3.5602 -3.5602 -3.2145 -3.2145 -3.0938 -3.0938 -2.8284 -2.8284 -1.5362 -1.5362 -0.9038 -0.9038 -0.7692 -0.7692 -0.7087 -0.7087 -0.5156 -0.5156 -0.3963 -0.3963 -0.1598 -0.1598 -0.0106 -0.0106 0.2510 0.2510 0.3873 0.3873 0.4214 0.4214 0.5988 0.5988 0.6209 0.6209 0.7414 0.7414 1.3152 1.3152 1.4721 1.4721 4.0895 4.0895 4.6126 4.6126 4.7448 4.7448 5.1292 5.1292 8.1110 8.1110 9.4287 9.4287 k = 0.0000 0.0627 0.0261 ( 8683 PWs) bands (ev): -14.0356 -14.0356 -13.5770 -13.5770 -12.3229 -12.3229 -12.2547 -12.2547 -12.2452 -12.2452 -12.0247 -12.0247 -9.9709 -9.9709 -9.6274 -9.6274 -3.5657 -3.5657 -3.2149 -3.2149 -3.0968 -3.0968 -2.8257 -2.8257 -1.5375 -1.5375 -0.9076 -0.9076 -0.7761 -0.7761 -0.7025 -0.7025 -0.5016 -0.5016 -0.3921 -0.3921 -0.1552 -0.1552 -0.0096 -0.0096 0.2552 0.2552 0.3840 0.3840 0.4140 0.4140 0.5984 0.5984 0.6252 0.6252 0.7440 0.7440 1.3106 1.3106 1.4791 1.4791 4.0886 4.0886 4.6066 4.6066 4.7402 4.7402 5.1202 5.1202 8.1309 8.1309 9.4340 9.4340 k = 0.0000 0.0784 0.0327 ( 8682 PWs) bands (ev): -14.0328 -14.0328 -13.5779 -13.5779 -12.3228 -12.3228 -12.2566 -12.2566 -12.2483 -12.2483 -12.0233 -12.0233 -9.9720 -9.9720 -9.6253 -9.6253 -3.5725 -3.5725 -3.2156 -3.2156 -3.1006 -3.1006 -2.8222 -2.8222 -1.5393 -1.5393 -0.9112 -0.9112 -0.7837 -0.7837 -0.6957 -0.6957 -0.4860 -0.4860 -0.3865 -0.3865 -0.1493 -0.1493 -0.0084 -0.0084 0.2606 0.2606 0.3802 0.3802 0.4056 0.4056 0.5987 0.5987 0.6295 0.6295 0.7471 0.7471 1.3049 1.3049 1.4876 1.4876 4.0873 4.0873 4.5988 4.5988 4.7343 4.7343 5.1090 5.1090 8.1562 8.1562 9.4406 9.4406 k = 0.0000 0.0941 0.0392 ( 8674 PWs) bands (ev): -14.0295 -14.0295 -13.5790 -13.5790 -12.3227 -12.3227 -12.2590 -12.2590 -12.2516 -12.2516 -12.0216 -12.0216 -9.9734 -9.9734 -9.6227 -9.6227 -3.5804 -3.5804 -3.2166 -3.2166 -3.1051 -3.1051 -2.8180 -2.8180 -1.5416 -1.5416 -0.9140 -0.9140 -0.7921 -0.7921 -0.6883 -0.6883 -0.4698 -0.4698 -0.3794 -0.3794 -0.1420 -0.1420 -0.0069 -0.0069 0.2673 0.2673 0.3755 0.3755 0.3975 0.3975 0.5995 0.5995 0.6336 0.6336 0.7506 0.7506 1.2983 1.2983 1.4975 1.4975 4.0857 4.0857 4.5893 4.5893 4.7272 4.7272 5.0958 5.0958 8.1866 8.1866 9.4484 9.4484 k = 0.0000 0.1098 0.0457 ( 8673 PWs) bands (ev): -14.0255 -14.0255 -13.5803 -13.5803 -12.3229 -12.3229 -12.2622 -12.2622 -12.2549 -12.2549 -12.0197 -12.0197 -9.9749 -9.9749 -9.6199 -9.6199 -3.5893 -3.5893 -3.2181 -3.2181 -3.1103 -3.1103 -2.8130 -2.8130 -1.5443 -1.5443 -0.9156 -0.9156 -0.8012 -0.8012 -0.6805 -0.6805 -0.4541 -0.4541 -0.3706 -0.3706 -0.1334 -0.1334 -0.0053 -0.0053 0.2753 0.2753 0.3687 0.3687 0.3916 0.3916 0.6006 0.6006 0.6375 0.6375 0.7543 0.7543 1.2907 1.2907 1.5084 1.5084 4.0837 4.0837 4.5781 4.5781 4.7190 4.7190 5.0810 5.0810 8.2219 8.2219 9.4573 9.4573 k = 0.0000 0.1254 0.0523 ( 8669 PWs) bands (ev): -14.0210 -14.0210 -13.5818 -13.5818 -12.3232 -12.3232 -12.2661 -12.2661 -12.2578 -12.2578 -12.0177 -12.0177 -9.9766 -9.9766 -9.6166 -9.6166 -3.5990 -3.5990 -3.2200 -3.2200 -3.1160 -3.1160 -2.8074 -2.8074 -1.5475 -1.5475 -0.9158 -0.9158 -0.8112 -0.8112 -0.6725 -0.6725 -0.4397 -0.4397 -0.3602 -0.3602 -0.1234 -0.1234 -0.0036 -0.0036 0.2847 0.2847 0.3595 0.3595 0.3892 0.3892 0.6018 0.6018 0.6411 0.6411 0.7581 0.7581 1.2822 1.2822 1.5202 1.5202 4.0813 4.0813 4.5654 4.5654 4.7096 4.7096 5.0648 5.0648 8.2618 8.2618 9.4672 9.4672 k = 0.0000 0.1411 0.0588 ( 8673 PWs) bands (ev): -14.0160 -14.0160 -13.5835 -13.5835 -12.3240 -12.3240 -12.2708 -12.2708 -12.2602 -12.2602 -12.0156 -12.0156 -9.9785 -9.9785 -9.6131 -9.6131 -3.6093 -3.6093 -3.2225 -3.2225 -3.1223 -3.1223 -2.8011 -2.8011 -1.5509 -1.5509 -0.9144 -0.9144 -0.8223 -0.8223 -0.6642 -0.6642 -0.4269 -0.4269 -0.3483 -0.3483 -0.1122 -0.1122 -0.0019 -0.0019 0.2954 0.2954 0.3489 0.3489 0.3900 0.3900 0.6030 0.6030 0.6445 0.6445 0.7619 0.7619 1.2731 1.2731 1.5326 1.5326 4.0785 4.0785 4.5512 4.5512 4.6990 4.6990 5.0477 5.0477 8.3059 8.3059 9.4778 9.4778 k = 0.0000 0.1568 0.0653 ( 8674 PWs) bands (ev): -14.0104 -14.0104 -13.5855 -13.5855 -12.3252 -12.3252 -12.2760 -12.2760 -12.2621 -12.2621 -12.0135 -12.0135 -9.9805 -9.9805 -9.6094 -9.6094 -3.6201 -3.6201 -3.2256 -3.2256 -3.1290 -3.1290 -2.7943 -2.7943 -1.5546 -1.5546 -0.9116 -0.9116 -0.8342 -0.8342 -0.6559 -0.6559 -0.4157 -0.4157 -0.3355 -0.3355 -0.0998 -0.0998 -0.0003 -0.0003 0.3070 0.3070 0.3386 0.3386 0.3935 0.3935 0.6041 0.6041 0.6477 0.6477 0.7656 0.7656 1.2632 1.2632 1.5454 1.5454 4.0751 4.0751 4.5357 4.5357 4.6871 4.6871 5.0301 5.0301 8.3540 8.3540 9.4891 9.4891 k = 0.0000 0.1725 0.0719 ( 8667 PWs) bands (ev): -14.0044 -14.0044 -13.5876 -13.5876 -12.3270 -12.3270 -12.2816 -12.2816 -12.2636 -12.2636 -12.0113 -12.0113 -9.9826 -9.9826 -9.6054 -9.6054 -3.6312 -3.6312 -3.2292 -3.2292 -3.1361 -3.1361 -2.7870 -2.7870 -1.5582 -1.5582 -0.9081 -0.9081 -0.8468 -0.8468 -0.6475 -0.6475 -0.4059 -0.4059 -0.3223 -0.3223 -0.0863 -0.0863 0.0013 0.0013 0.3156 0.3156 0.3333 0.3333 0.3992 0.3992 0.6050 0.6050 0.6506 0.6506 0.7693 0.7693 1.2528 1.2528 1.5584 1.5584 4.0712 4.0712 4.5191 4.5191 4.6739 4.6739 5.0124 5.0124 8.4056 8.4056 9.5008 9.5008 k = 0.0000 0.1882 0.0784 ( 8673 PWs) bands (ev): -13.9980 -13.9980 -13.5900 -13.5900 -12.3294 -12.3294 -12.2873 -12.2873 -12.2646 -12.2646 -12.0092 -12.0092 -9.9847 -9.9847 -9.6013 -9.6013 -3.6425 -3.6425 -3.2334 -3.2334 -3.1433 -3.1433 -2.7793 -2.7793 -1.5616 -1.5616 -0.9055 -0.9055 -0.8586 -0.8586 -0.6392 -0.6392 -0.3970 -0.3970 -0.3095 -0.3095 -0.0719 -0.0719 0.0029 0.0029 0.3116 0.3116 0.3429 0.3429 0.4069 0.4069 0.6057 0.6057 0.6532 0.6532 0.7728 0.7728 1.2419 1.2419 1.5715 1.5715 4.0668 4.0668 4.5013 4.5013 4.6594 4.6594 4.9950 4.9950 8.4604 8.4604 9.5127 9.5127 k = 0.0000 0.2038 0.0850 ( 8669 PWs) bands (ev): -13.9912 -13.9912 -13.5927 -13.5927 -12.3325 -12.3325 -12.2932 -12.2932 -12.2651 -12.2651 -12.0071 -12.0071 -9.9869 -9.9869 -9.5971 -9.5971 -3.6538 -3.6538 -3.2381 -3.2381 -3.1507 -3.1507 -2.7713 -2.7713 -1.5646 -1.5646 -0.9076 -0.9076 -0.8662 -0.8662 -0.6310 -0.6310 -0.3885 -0.3885 -0.2976 -0.2976 -0.0570 -0.0570 0.0050 0.0050 0.3038 0.3038 0.3588 0.3588 0.4164 0.4164 0.6062 0.6062 0.6555 0.6555 0.7763 0.7763 1.2306 1.2306 1.5845 1.5845 4.0618 4.0618 4.4826 4.4826 4.6437 4.6437 4.9784 4.9784 8.5178 8.5178 9.5244 9.5244 k = 0.0000 0.2195 0.0915 ( 8673 PWs) bands (ev): -13.9840 -13.9840 -13.5955 -13.5955 -12.3361 -12.3361 -12.2990 -12.2990 -12.2650 -12.2650 -12.0050 -12.0050 -9.9891 -9.9891 -9.5928 -9.5928 -3.6650 -3.6650 -3.2433 -3.2433 -3.1582 -3.1582 -2.7632 -2.7632 -1.5669 -1.5669 -0.9183 -0.9183 -0.8658 -0.8658 -0.6231 -0.6231 -0.3803 -0.3803 -0.2870 -0.2870 -0.0426 -0.0426 0.0084 0.0084 0.2969 0.2969 0.3764 0.3764 0.4272 0.4272 0.6064 0.6064 0.6576 0.6576 0.7797 0.7797 1.2190 1.2190 1.5973 1.5973 4.0562 4.0562 4.4630 4.4630 4.6269 4.6269 4.9628 4.9628 8.5775 8.5775 9.5353 9.5353 k = 0.0000 0.2352 0.0980 ( 8671 PWs) bands (ev): -13.9765 -13.9765 -13.5986 -13.5986 -12.3403 -12.3403 -12.3049 -12.3049 -12.2646 -12.2646 -12.0031 -12.0031 -9.9913 -9.9913 -9.5884 -9.5884 -3.6760 -3.6760 -3.2489 -3.2489 -3.1656 -3.1656 -2.7550 -2.7550 -1.5683 -1.5683 -0.9357 -0.9357 -0.8598 -0.8598 -0.6155 -0.6155 -0.3718 -0.3718 -0.2782 -0.2782 -0.0305 -0.0305 0.0149 0.0149 0.2920 0.2920 0.3945 0.3945 0.4389 0.4389 0.6066 0.6066 0.6594 0.6594 0.7831 0.7831 1.2072 1.2072 1.6097 1.6097 4.0500 4.0500 4.4426 4.4426 4.6095 4.6095 4.9484 4.9484 8.6389 8.6389 9.5449 9.5449 k = 0.0000 0.2509 0.1046 ( 8671 PWs) bands (ev): -13.9688 -13.9688 -13.6019 -13.6019 -12.3448 -12.3448 -12.3107 -12.3107 -12.2637 -12.2637 -12.0012 -12.0012 -9.9935 -9.9935 -9.5842 -9.5842 -3.6868 -3.6868 -3.2548 -3.2548 -3.1728 -3.1728 -2.7467 -2.7467 -1.5686 -1.5686 -0.9566 -0.9566 -0.8513 -0.8513 -0.6084 -0.6084 -0.3631 -0.3631 -0.2713 -0.2713 -0.0229 -0.0229 0.0266 0.0266 0.2896 0.2896 0.4126 0.4126 0.4511 0.4511 0.6068 0.6068 0.6611 0.6611 0.7865 0.7865 1.1954 1.1954 1.6217 1.6217 4.0434 4.0434 4.4211 4.4211 4.5918 4.5918 4.9354 4.9354 8.7015 8.7015 9.5520 9.5520 k = 0.0000 0.2666 0.1111 ( 8663 PWs) bands (ev): -13.9609 -13.9609 -13.6053 -13.6053 -12.3496 -12.3496 -12.3165 -12.3165 -12.2625 -12.2625 -11.9994 -11.9994 -9.9957 -9.9957 -9.5799 -9.5799 -3.6971 -3.6971 -3.2609 -3.2609 -3.1799 -3.1799 -2.7386 -2.7386 -1.5678 -1.5678 -0.9798 -0.9798 -0.8418 -0.8418 -0.6017 -0.6017 -0.3539 -0.3539 -0.2663 -0.2663 -0.0203 -0.0203 0.0437 0.0437 0.2901 0.2901 0.4300 0.4300 0.4632 0.4632 0.6072 0.6072 0.6625 0.6625 0.7897 0.7897 1.1839 1.1839 1.6332 1.6332 4.0364 4.0364 4.3988 4.3988 4.5742 4.5742 4.9238 4.9238 8.7648 8.7648 9.5554 9.5554 k = 0.0000 0.2822 0.1176 ( 8657 PWs) bands (ev): -13.9528 -13.9528 -13.6090 -13.6090 -12.3545 -12.3545 -12.3221 -12.3221 -12.2611 -12.2611 -11.9978 -11.9978 -9.9978 -9.9978 -9.5758 -9.5758 -3.7070 -3.7070 -3.2672 -3.2672 -3.1867 -3.1867 -2.7307 -2.7307 -1.5655 -1.5655 -1.0047 -1.0047 -0.8319 -0.8319 -0.5956 -0.5956 -0.3443 -0.3443 -0.2632 -0.2632 -0.0213 -0.0213 0.0645 0.0645 0.2936 0.2936 0.4464 0.4464 0.4746 0.4746 0.6080 0.6080 0.6637 0.6637 0.7929 0.7929 1.1726 1.1726 1.6442 1.6442 4.0290 4.0290 4.3755 4.3755 4.5574 4.5574 4.9135 4.9135 8.8281 8.8281 9.5536 9.5536 k = 0.0000 0.2979 0.1242 ( 8660 PWs) bands (ev): -13.9447 -13.9447 -13.6128 -13.6128 -12.3594 -12.3594 -12.3275 -12.3275 -12.2596 -12.2596 -11.9962 -11.9962 -9.9998 -9.9998 -9.5718 -9.5718 -3.7164 -3.7164 -3.2734 -3.2734 -3.1932 -3.1932 -2.7230 -2.7230 -1.5619 -1.5619 -1.0308 -1.0308 -0.8220 -0.8220 -0.5899 -0.5899 -0.3343 -0.3343 -0.2614 -0.2614 -0.0248 -0.0248 0.0876 0.0876 0.3001 0.3001 0.4612 0.4612 0.4848 0.4848 0.6096 0.6096 0.6647 0.6647 0.7959 0.7959 1.1620 1.1620 1.6545 1.6545 4.0216 4.0216 4.3512 4.3512 4.5417 4.5417 4.9046 4.9046 8.8908 8.8908 9.5451 9.5451 k = 0.0000 0.3136 0.1307 ( 8662 PWs) bands (ev): -13.9367 -13.9367 -13.6167 -13.6167 -12.3642 -12.3642 -12.3328 -12.3328 -12.2580 -12.2580 -11.9948 -11.9948 -10.0017 -10.0017 -9.5680 -9.5680 -3.7253 -3.7253 -3.2797 -3.2797 -3.1994 -3.1994 -2.7157 -2.7157 -1.5567 -1.5567 -1.0578 -1.0578 -0.8124 -0.8124 -0.5849 -0.5849 -0.3241 -0.3241 -0.2606 -0.2606 -0.0303 -0.0303 0.1124 0.1124 0.3094 0.3094 0.4737 0.4737 0.4936 0.4936 0.6122 0.6122 0.6654 0.6654 0.7987 0.7987 1.1521 1.1521 1.6642 1.6642 4.0142 4.0142 4.3262 4.3262 4.5275 4.5275 4.8968 4.8968 8.9521 8.9521 9.5291 9.5291 k = 0.0000 0.3293 0.1372 ( 8659 PWs) bands (ev): -13.9287 -13.9287 -13.6207 -13.6207 -12.3688 -12.3688 -12.3378 -12.3378 -12.2563 -12.2563 -11.9935 -11.9935 -10.0035 -10.0035 -9.5644 -9.5644 -3.7335 -3.7335 -3.2857 -3.2857 -3.2051 -3.2051 -2.7088 -2.7088 -1.5499 -1.5499 -1.0855 -1.0855 -0.8032 -0.8032 -0.5803 -0.5803 -0.3143 -0.3143 -0.2600 -0.2600 -0.0376 -0.0376 0.1383 0.1383 0.3211 0.3211 0.4831 0.4831 0.5012 0.5012 0.6161 0.6161 0.6657 0.6657 0.8009 0.8009 1.1432 1.1432 1.6732 1.6732 4.0072 4.0072 4.3008 4.3008 4.5149 4.5149 4.8901 4.8901 9.0111 9.0111 9.5058 9.5058 k = 0.0000 0.3450 0.1438 ( 8660 PWs) bands (ev): -13.9210 -13.9210 -13.6247 -13.6247 -12.3731 -12.3731 -12.3426 -12.3426 -12.2547 -12.2547 -11.9924 -11.9924 -10.0051 -10.0051 -9.5611 -9.5611 -3.7410 -3.7410 -3.2915 -3.2915 -3.2104 -3.2104 -2.7024 -2.7024 -1.5416 -1.5416 -1.1135 -1.1135 -0.7946 -0.7946 -0.5763 -0.5763 -0.3055 -0.3055 -0.2586 -0.2586 -0.0464 -0.0464 0.1650 0.1650 0.3345 0.3345 0.4885 0.4885 0.5083 0.5083 0.6211 0.6211 0.6657 0.6657 0.8024 0.8024 1.1356 1.1356 1.6814 1.6814 4.0006 4.0006 4.2752 4.2752 4.5040 4.5040 4.8843 4.8843 9.0668 9.0668 9.4769 9.4769 k = 0.0000 0.3606 0.1503 ( 8659 PWs) bands (ev): -13.9136 -13.9136 -13.6286 -13.6286 -12.3771 -12.3771 -12.3470 -12.3470 -12.2531 -12.2531 -11.9913 -11.9913 -10.0067 -10.0067 -9.5580 -9.5580 -3.7478 -3.7478 -3.2970 -3.2970 -3.2152 -3.2152 -2.6965 -2.6965 -1.5318 -1.5318 -1.1417 -1.1417 -0.7867 -0.7867 -0.5727 -0.5727 -0.2989 -0.2989 -0.2550 -0.2550 -0.0564 -0.0564 0.1921 0.1921 0.3491 0.3491 0.4900 0.4900 0.5146 0.5146 0.6270 0.6270 0.6655 0.6655 0.8031 0.8031 1.1292 1.1292 1.6888 1.6888 3.9947 3.9947 4.2501 4.2501 4.4948 4.4948 4.8794 4.8794 9.1180 9.1180 9.4452 9.4452 k = 0.0000 0.3763 0.1568 ( 8662 PWs) bands (ev): -13.9066 -13.9066 -13.6325 -13.6325 -12.3807 -12.3807 -12.3510 -12.3510 -12.2516 -12.2516 -11.9904 -11.9904 -10.0080 -10.0080 -9.5553 -9.5553 -3.7539 -3.7539 -3.3020 -3.3020 -3.2195 -3.2195 -2.6913 -2.6913 -1.5204 -1.5204 -1.1696 -1.1696 -0.7795 -0.7795 -0.5697 -0.5697 -0.2952 -0.2952 -0.2483 -0.2483 -0.0674 -0.0674 0.2194 0.2194 0.3642 0.3642 0.4885 0.4885 0.5197 0.5197 0.6328 0.6328 0.6657 0.6657 0.8028 0.8028 1.1243 1.1243 1.6954 1.6954 3.9898 3.9898 4.2258 4.2258 4.4871 4.4871 4.8753 4.8753 9.1633 9.1633 9.4131 9.4131 k = 0.0000 0.3920 0.1634 ( 8664 PWs) bands (ev): -13.9002 -13.9002 -13.6361 -13.6361 -12.3839 -12.3839 -12.3547 -12.3547 -12.2502 -12.2502 -11.9896 -11.9896 -10.0092 -10.0092 -9.5528 -9.5528 -3.7593 -3.7593 -3.3065 -3.3065 -3.2233 -3.2233 -2.6866 -2.6866 -1.5078 -1.5078 -1.1970 -1.1970 -0.7732 -0.7732 -0.5672 -0.5672 -0.2942 -0.2942 -0.2388 -0.2388 -0.0792 -0.0792 0.2464 0.2464 0.3790 0.3790 0.4846 0.4846 0.5232 0.5232 0.6372 0.6372 0.6672 0.6672 0.8014 0.8014 1.1206 1.1206 1.7012 1.7012 3.9858 3.9858 4.2029 4.2029 4.4808 4.4808 4.8718 4.8718 9.2016 9.2016 9.3826 9.3826 k = 0.0000 0.4077 0.1699 ( 8659 PWs) bands (ev): -13.8945 -13.8945 -13.6394 -13.6394 -12.3867 -12.3867 -12.3578 -12.3578 -12.2491 -12.2491 -11.9889 -11.9889 -10.0103 -10.0103 -9.5507 -9.5507 -3.7638 -3.7638 -3.3104 -3.3104 -3.2265 -3.2265 -2.6826 -2.6826 -1.4941 -1.4941 -1.2234 -1.2234 -0.7678 -0.7678 -0.5650 -0.5650 -0.2946 -0.2946 -0.2273 -0.2273 -0.0917 -0.0917 0.2729 0.2729 0.3929 0.3929 0.4786 0.4786 0.5254 0.5254 0.6391 0.6391 0.6710 0.6710 0.7992 0.7992 1.1181 1.1181 1.7062 1.7062 3.9829 3.9829 4.1820 4.1820 4.4758 4.4758 4.8690 4.8690 9.2318 9.2318 9.3551 9.3551 k = 0.0000 0.4234 0.1764 ( 8667 PWs) bands (ev): -13.8896 -13.8896 -13.6423 -13.6423 -12.3889 -12.3889 -12.3605 -12.3605 -12.2481 -12.2481 -11.9884 -11.9884 -10.0112 -10.0112 -9.5490 -9.5490 -3.7675 -3.7675 -3.3137 -3.3137 -3.2291 -3.2291 -2.6793 -2.6793 -1.4798 -1.4798 -1.2483 -1.2483 -0.7633 -0.7633 -0.5634 -0.5634 -0.2956 -0.2956 -0.2147 -0.2147 -0.1046 -0.1046 0.2983 0.2983 0.4052 0.4052 0.4708 0.4708 0.5266 0.5266 0.6385 0.6385 0.6767 0.6767 0.7963 0.7963 1.1165 1.1165 1.7102 1.7102 3.9810 3.9810 4.1636 4.1636 4.4719 4.4719 4.8667 4.8667 9.2540 9.2540 9.3314 9.3314 k = 0.0000 0.4390 0.1830 ( 8668 PWs) bands (ev): -13.8856 -13.8856 -13.6447 -13.6447 -12.3907 -12.3907 -12.3626 -12.3626 -12.2473 -12.2473 -11.9880 -11.9880 -10.0118 -10.0118 -9.5476 -9.5476 -3.7705 -3.7705 -3.3164 -3.3164 -3.2312 -3.2312 -2.6767 -2.6767 -1.4655 -1.4655 -1.2710 -1.2710 -0.7597 -0.7597 -0.5621 -0.5621 -0.2968 -0.2968 -0.2015 -0.2015 -0.1179 -0.1179 0.3220 0.3220 0.4150 0.4150 0.4618 0.4618 0.5272 0.5272 0.6367 0.6367 0.6828 0.6828 0.7932 0.7932 1.1156 1.1156 1.7134 1.7134 3.9800 3.9800 4.1483 4.1483 4.4690 4.4690 4.8650 4.8650 9.2690 9.2690 9.3124 9.3124 k = 0.0000 0.4547 0.1895 ( 8667 PWs) bands (ev): -13.8827 -13.8827 -13.6465 -13.6465 -12.3920 -12.3920 -12.3641 -12.3641 -12.2467 -12.2467 -11.9877 -11.9877 -10.0123 -10.0123 -9.5466 -9.5466 -3.7725 -3.7725 -3.3183 -3.3183 -3.2327 -3.2327 -2.6748 -2.6748 -1.4524 -1.4524 -1.2901 -1.2901 -0.7572 -0.7572 -0.5612 -0.5612 -0.2978 -0.2978 -0.1879 -0.1879 -0.1314 -0.1314 0.3430 0.3430 0.4215 0.4215 0.4525 0.4525 0.5275 0.5275 0.6346 0.6346 0.6882 0.6882 0.7903 0.7903 1.1151 1.1151 1.7157 1.7157 3.9796 3.9796 4.1368 4.1368 4.4670 4.4670 4.8638 4.8638 9.2782 9.2782 9.2985 9.2985 k = 0.0000 0.4704 0.1960 ( 8654 PWs) bands (ev): -13.8809 -13.8809 -13.6476 -13.6476 -12.3927 -12.3927 -12.3650 -12.3650 -12.2463 -12.2463 -11.9875 -11.9875 -10.0126 -10.0126 -9.5460 -9.5460 -3.7738 -3.7738 -3.3194 -3.3194 -3.2336 -3.2336 -2.6737 -2.6737 -1.4426 -1.4426 -1.3035 -1.3035 -0.7557 -0.7557 -0.5607 -0.5607 -0.2984 -0.2984 -0.1745 -0.1745 -0.1448 -0.1448 0.3589 0.3589 0.4235 0.4235 0.4458 0.4458 0.5276 0.5276 0.6331 0.6331 0.6918 0.6918 0.7882 0.7882 1.1149 1.1149 1.7171 1.7171 3.9796 3.9796 4.1296 4.1296 4.4659 4.4659 4.8631 4.8631 9.2831 9.2831 9.2898 9.2898 k = 0.0000 0.4861 0.2026 ( 8652 PWs) bands (ev): -13.8803 -13.8803 -13.6480 -13.6480 -12.3930 -12.3930 -12.3653 -12.3653 -12.2462 -12.2462 -11.9874 -11.9874 -10.0127 -10.0127 -9.5458 -9.5458 -3.7742 -3.7742 -3.3198 -3.3198 -3.2339 -3.2339 -2.6733 -2.6733 -1.4389 -1.4389 -1.3085 -1.3085 -0.7551 -0.7551 -0.5605 -0.5605 -0.2986 -0.2986 -0.1649 -0.1649 -0.1544 -0.1544 0.3654 0.3654 0.4229 0.4229 0.4437 0.4437 0.5277 0.5277 0.6326 0.6326 0.6931 0.6931 0.7875 0.7875 1.1149 1.1149 1.7175 1.7175 3.9796 3.9796 4.1272 4.1272 4.4655 4.4655 4.8628 4.8628 9.2852 9.2852 9.2865 9.2865 k = 0.5000 0.4054 0.1231 ( 8670 PWs) bands (ev): -13.7946 -13.7946 -13.6263 -13.6263 -12.4091 -12.4091 -12.3900 -12.3900 -12.2207 -12.2207 -12.0441 -12.0441 -10.0286 -10.0286 -9.7327 -9.7327 -3.4255 -3.4255 -3.1703 -3.1703 -2.9973 -2.9973 -2.7878 -2.7878 -2.3473 -2.3473 -1.2549 -1.2549 -0.9069 -0.9069 -0.7105 -0.7105 -0.4741 -0.4741 -0.1183 -0.1183 0.0742 0.0742 0.2234 0.2234 0.5079 0.5079 0.5255 0.5255 0.6564 0.6564 0.7396 0.7396 0.7704 0.7704 0.7887 0.7887 1.5885 1.5885 1.8006 1.8006 3.9543 3.9543 4.6067 4.6067 4.6621 4.6621 5.1517 5.1517 9.3179 9.3179 9.5320 9.5320 k = 0.4868 0.3947 0.1198 ( 8667 PWs) bands (ev): -13.7948 -13.7948 -13.6265 -13.6265 -12.4092 -12.4092 -12.3900 -12.3900 -12.2208 -12.2208 -12.0436 -12.0436 -10.0293 -10.0293 -9.7313 -9.7313 -3.4277 -3.4277 -3.1706 -3.1706 -2.9985 -2.9985 -2.7879 -2.7879 -2.3465 -2.3465 -1.2539 -1.2539 -0.9065 -0.9065 -0.7097 -0.7097 -0.4714 -0.4714 -0.1191 -0.1191 0.0740 0.0740 0.2278 0.2278 0.5057 0.5057 0.5261 0.5261 0.6553 0.6553 0.7396 0.7396 0.7698 0.7698 0.7886 0.7886 1.5875 1.5875 1.8010 1.8010 3.9543 3.9543 4.6033 4.6033 4.6607 4.6607 5.1490 5.1490 9.3127 9.3127 9.5340 9.5340 k = 0.4737 0.3840 0.1166 ( 8672 PWs) bands (ev): -13.7951 -13.7951 -13.6272 -13.6272 -12.4093 -12.4093 -12.3901 -12.3901 -12.2211 -12.2211 -12.0421 -12.0421 -10.0314 -10.0314 -9.7271 -9.7271 -3.4342 -3.4342 -3.1718 -3.1718 -3.0023 -3.0023 -2.7881 -2.7881 -2.3442 -2.3442 -1.2511 -1.2511 -0.9055 -0.9055 -0.7069 -0.7069 -0.4637 -0.4637 -0.1216 -0.1216 0.0739 0.0739 0.2402 0.2402 0.5001 0.5001 0.5272 0.5272 0.6521 0.6521 0.7396 0.7396 0.7680 0.7680 0.7882 0.7882 1.5846 1.5846 1.8021 1.8021 3.9545 3.9545 4.5934 4.5934 4.6563 4.6563 5.1412 5.1412 9.2981 9.2981 9.5391 9.5391 k = 0.4605 0.3734 0.1134 ( 8673 PWs) bands (ev): -13.7957 -13.7957 -13.6284 -13.6284 -12.4096 -12.4096 -12.3902 -12.3902 -12.2216 -12.2216 -12.0395 -12.0395 -10.0346 -10.0346 -9.7204 -9.7204 -3.4447 -3.4447 -3.1737 -3.1737 -3.0084 -3.0084 -2.7885 -2.7885 -2.3403 -2.3403 -1.2466 -1.2466 -0.9038 -0.9038 -0.7018 -0.7018 -0.4521 -0.4521 -0.1254 -0.1254 0.0754 0.0754 0.2591 0.2591 0.4917 0.4917 0.5281 0.5281 0.6471 0.6471 0.7391 0.7391 0.7652 0.7652 0.7875 0.7875 1.5798 1.5798 1.8038 1.8038 3.9547 3.9547 4.5780 4.5780 4.6482 4.6482 5.1286 5.1286 9.2765 9.2765 9.5452 9.5452 k = 0.4474 0.3627 0.1101 ( 8671 PWs) bands (ev): -13.7967 -13.7967 -13.6299 -13.6299 -12.4098 -12.4098 -12.3903 -12.3903 -12.2223 -12.2223 -12.0361 -12.0361 -10.0388 -10.0388 -9.7115 -9.7115 -3.4589 -3.4589 -3.1767 -3.1767 -3.0166 -3.0166 -2.7887 -2.7887 -2.3347 -2.3347 -1.2405 -1.2405 -0.9016 -0.9016 -0.6936 -0.6936 -0.4382 -0.4382 -0.1301 -0.1301 0.0794 0.0794 0.2826 0.2826 0.4814 0.4814 0.5284 0.5284 0.6407 0.6407 0.7378 0.7378 0.7618 0.7618 0.7865 0.7865 1.5734 1.5734 1.8058 1.8058 3.9548 3.9548 4.5581 4.5581 4.6357 4.6357 5.1122 5.1122 9.2500 9.2500 9.5509 9.5509 k = 0.4342 0.3520 0.1069 ( 8673 PWs) bands (ev): -13.7981 -13.7981 -13.6317 -13.6317 -12.4101 -12.4101 -12.3905 -12.3905 -12.2231 -12.2231 -12.0320 -12.0320 -10.0436 -10.0436 -9.7007 -9.7007 -3.4762 -3.4762 -3.1808 -3.1808 -3.0268 -3.0268 -2.7887 -2.7887 -2.3274 -2.3274 -1.2331 -1.2331 -0.8991 -0.8991 -0.6819 -0.6819 -0.4235 -0.4235 -0.1351 -0.1351 0.0867 0.0867 0.3090 0.3090 0.4695 0.4695 0.5280 0.5280 0.6333 0.6333 0.7351 0.7351 0.7583 0.7583 0.7851 0.7851 1.5655 1.5655 1.8079 1.8079 3.9546 3.9546 4.5347 4.5347 4.6186 4.6186 5.0930 5.0930 9.2201 9.2201 9.5553 9.5553 k = 0.4211 0.3414 0.1037 ( 8671 PWs) bands (ev): -13.8000 -13.8000 -13.6336 -13.6336 -12.4102 -12.4102 -12.3906 -12.3906 -12.2240 -12.2240 -12.0272 -12.0272 -10.0487 -10.0487 -9.6886 -9.6886 -3.4961 -3.4961 -3.1863 -3.1863 -3.0384 -3.0384 -2.7883 -2.7883 -2.3184 -2.3184 -1.2244 -1.2244 -0.8962 -0.8962 -0.6665 -0.6665 -0.4096 -0.4096 -0.1397 -0.1397 0.0969 0.0969 0.3369 0.3369 0.4569 0.4569 0.5268 0.5268 0.6258 0.6258 0.7309 0.7309 0.7549 0.7549 0.7834 0.7834 1.5563 1.5563 1.8098 1.8098 3.9539 3.9539 4.5083 4.5083 4.5969 4.5969 5.0719 5.0719 9.1878 9.1878 9.5587 9.5587 k = 0.4079 0.3307 0.1004 ( 8679 PWs) bands (ev): -13.8026 -13.8026 -13.6354 -13.6354 -12.4102 -12.4102 -12.3907 -12.3907 -12.2251 -12.2251 -12.0219 -12.0219 -10.0538 -10.0538 -9.6755 -9.6755 -3.5179 -3.5179 -3.1933 -3.1933 -3.0510 -3.0510 -2.7875 -2.7875 -2.3077 -2.3077 -1.2148 -1.2148 -0.8930 -0.8930 -0.6477 -0.6477 -0.3976 -0.3976 -0.1433 -0.1433 0.1092 0.1092 0.3645 0.3645 0.4448 0.4448 0.5243 0.5243 0.6186 0.6186 0.7252 0.7252 0.7519 0.7519 0.7814 0.7814 1.5460 1.5460 1.8113 1.8113 3.9524 3.9524 4.4795 4.4795 4.5716 4.5716 5.0501 5.0501 9.1536 9.1536 9.5612 9.5612 k = 0.3947 0.3200 0.0972 ( 8684 PWs) bands (ev): -13.8059 -13.8059 -13.6371 -13.6371 -12.4099 -12.4099 -12.3907 -12.3907 -12.2263 -12.2263 -12.0163 -12.0163 -10.0587 -10.0587 -9.6617 -9.6617 -3.5411 -3.5411 -3.2018 -3.2018 -3.0639 -3.0639 -2.7861 -2.7861 -2.2952 -2.2952 -1.2044 -1.2044 -0.8894 -0.8894 -0.6259 -0.6259 -0.3880 -0.3880 -0.1458 -0.1458 0.1217 0.1217 0.3891 0.3891 0.4357 0.4357 0.5205 0.5205 0.6128 0.6128 0.7187 0.7187 0.7492 0.7492 0.7789 0.7789 1.5347 1.5347 1.8122 1.8122 3.9500 3.9500 4.4485 4.4485 4.5439 4.5439 5.0283 5.0283 9.1177 9.1177 9.5632 9.5632 k = 0.3816 0.3094 0.0939 ( 8678 PWs) bands (ev): -13.8101 -13.8101 -13.6384 -13.6384 -12.4093 -12.4093 -12.3905 -12.3905 -12.2275 -12.2275 -12.0105 -12.0105 -10.0632 -10.0632 -9.6476 -9.6476 -3.5650 -3.5650 -3.2121 -3.2121 -3.0766 -3.0766 -2.7842 -2.7842 -2.2810 -2.2810 -1.1933 -1.1933 -0.8853 -0.8853 -0.6017 -0.6017 -0.3808 -0.3808 -0.1473 -0.1473 0.1323 0.1323 0.4026 0.4026 0.4373 0.4373 0.5152 0.5152 0.6088 0.6088 0.7119 0.7119 0.7470 0.7470 0.7762 0.7762 1.5227 1.5227 1.8121 1.8121 3.9465 3.9465 4.4151 4.4151 4.5159 4.5159 5.0071 5.0071 9.0805 9.0805 9.5651 9.5651 k = 0.3684 0.2987 0.0907 ( 8678 PWs) bands (ev): -13.8152 -13.8152 -13.6393 -13.6393 -12.4084 -12.4084 -12.3902 -12.3902 -12.2288 -12.2288 -12.0046 -12.0046 -10.0672 -10.0672 -9.6335 -9.6335 -3.5891 -3.5891 -3.2239 -3.2239 -3.0885 -3.0885 -2.7818 -2.7818 -2.2650 -2.2650 -1.1817 -1.1817 -0.8806 -0.8806 -0.5761 -0.5761 -0.3753 -0.3753 -0.1480 -0.1480 0.1384 0.1384 0.4020 0.4020 0.4516 0.4516 0.5096 0.5096 0.6069 0.6069 0.7057 0.7057 0.7457 0.7457 0.7732 0.7732 1.5101 1.5101 1.8110 1.8110 3.9421 3.9421 4.3788 4.3788 4.4900 4.4900 4.9870 4.9870 9.0419 9.0419 9.5671 9.5671 k = 0.3553 0.2880 0.0875 ( 8682 PWs) bands (ev): -13.8213 -13.8213 -13.6396 -13.6396 -12.4071 -12.4071 -12.3897 -12.3897 -12.2301 -12.2301 -11.9989 -11.9989 -10.0705 -10.0705 -9.6198 -9.6198 -3.6128 -3.6128 -3.2371 -3.2371 -3.0993 -3.0993 -2.7792 -2.7792 -2.2474 -2.2474 -1.1695 -1.1695 -0.8755 -0.8755 -0.5503 -0.5503 -0.3701 -0.3701 -0.1484 -0.1484 0.1379 0.1379 0.3976 0.3976 0.4650 0.4650 0.5067 0.5067 0.6059 0.6059 0.7007 0.7007 0.7456 0.7456 0.7703 0.7703 1.4969 1.4969 1.8087 1.8087 3.9369 3.9369 4.3400 4.3400 4.4682 4.4682 4.9681 4.9681 9.0021 9.0021 9.5695 9.5695 k = 0.3421 0.2774 0.0842 ( 8671 PWs) bands (ev): -13.8284 -13.8284 -13.6392 -13.6392 -12.4054 -12.4054 -12.3889 -12.3889 -12.2315 -12.2315 -11.9933 -11.9933 -10.0731 -10.0731 -9.6066 -9.6066 -3.6358 -3.6358 -3.2511 -3.2511 -3.1087 -3.1087 -2.7763 -2.7763 -2.2281 -2.2281 -1.1569 -1.1569 -0.8699 -0.8699 -0.5258 -0.5258 -0.3638 -0.3638 -0.1491 -0.1491 0.1303 0.1303 0.3911 0.3911 0.4714 0.4714 0.5107 0.5107 0.6043 0.6043 0.6974 0.6974 0.7463 0.7463 0.7689 0.7689 1.4833 1.4833 1.8051 1.8051 3.9315 3.9315 4.2996 4.2996 4.4511 4.4511 4.9504 4.9504 8.9612 8.9612 9.5724 9.5724 k = 0.3289 0.2667 0.0810 ( 8673 PWs) bands (ev): -13.8365 -13.8365 -13.6383 -13.6383 -12.4033 -12.4033 -12.3877 -12.3877 -12.2329 -12.2329 -11.9880 -11.9880 -10.0749 -10.0749 -9.5941 -9.5941 -3.6574 -3.6574 -3.2655 -3.2655 -3.1166 -3.1166 -2.7734 -2.7734 -2.2072 -2.2072 -1.1439 -1.1439 -0.8639 -0.8639 -0.5043 -0.5043 -0.3543 -0.3543 -0.1507 -0.1507 0.1162 0.1162 0.3802 0.3802 0.4738 0.4738 0.5200 0.5200 0.6005 0.6005 0.6954 0.6954 0.7459 0.7459 0.7714 0.7714 1.4695 1.4695 1.8000 1.8000 3.9266 3.9266 4.2595 4.2595 4.4390 4.4390 4.9340 4.9340 8.9193 8.9193 9.5759 9.5759 k = 0.3158 0.2560 0.0777 ( 8672 PWs) bands (ev): -13.8454 -13.8454 -13.6367 -13.6367 -12.4008 -12.4008 -12.3862 -12.3862 -12.2343 -12.2343 -11.9831 -11.9831 -10.0759 -10.0759 -9.5827 -9.5827 -3.6773 -3.6773 -3.2796 -3.2796 -3.1233 -3.1233 -2.7706 -2.7706 -2.1847 -2.1847 -1.1306 -1.1306 -0.8577 -0.8577 -0.4874 -0.4874 -0.3401 -0.3401 -0.1538 -0.1538 0.0972 0.0972 0.3635 0.3635 0.4764 0.4764 0.5303 0.5303 0.5942 0.5942 0.6940 0.6940 0.7426 0.7426 0.7794 0.7794 1.4556 1.4556 1.7935 1.7935 3.9228 3.9228 4.2216 4.2216 4.4312 4.4312 4.9189 4.9189 8.8765 8.8765 9.5799 9.5799 k = 0.3026 0.2453 0.0745 ( 8668 PWs) bands (ev): -13.8551 -13.8551 -13.6345 -13.6345 -12.3979 -12.3979 -12.3841 -12.3841 -12.2358 -12.2358 -11.9787 -11.9787 -10.0762 -10.0762 -9.5723 -9.5723 -3.6952 -3.6952 -3.2928 -3.2928 -3.1287 -3.1287 -2.7681 -2.7681 -2.1607 -2.1607 -1.1168 -1.1168 -0.8512 -0.8512 -0.4757 -0.4757 -0.3207 -0.3207 -0.1590 -0.1590 0.0750 0.0750 0.3417 0.3417 0.4795 0.4795 0.5395 0.5395 0.5860 0.5860 0.6924 0.6924 0.7369 0.7369 0.7907 0.7907 1.4418 1.4418 1.7856 1.7856 3.9207 3.9207 4.1880 4.1880 4.4273 4.4273 4.9052 4.9052 8.8329 8.8329 9.5845 9.5845 k = 0.2895 0.2347 0.0713 ( 8668 PWs) bands (ev): -13.8655 -13.8655 -13.6319 -13.6319 -12.3947 -12.3947 -12.3816 -12.3816 -12.2372 -12.2372 -11.9749 -11.9749 -10.0756 -10.0756 -9.5633 -9.5633 -3.7108 -3.7108 -3.3047 -3.3047 -3.1331 -3.1331 -2.7661 -2.7661 -2.1351 -2.1351 -1.1028 -1.1028 -0.8448 -0.8448 -0.4683 -0.4683 -0.2972 -0.2972 -0.1668 -0.1668 0.0513 0.0513 0.3162 0.3162 0.4822 0.4822 0.5459 0.5459 0.5772 0.5772 0.6903 0.6903 0.7299 0.7299 0.8028 0.8028 1.4282 1.4282 1.7762 1.7762 3.9209 3.9209 4.1606 4.1606 4.4265 4.4265 4.8928 4.8928 8.7888 8.7888 9.5894 9.5894 k = 0.2763 0.2240 0.0680 ( 8671 PWs) bands (ev): -13.8763 -13.8763 -13.6289 -13.6289 -12.3911 -12.3911 -12.3785 -12.3785 -12.2386 -12.2386 -11.9717 -11.9717 -10.0743 -10.0743 -9.5556 -9.5556 -3.7238 -3.7238 -3.3148 -3.3148 -3.1364 -3.1364 -2.7645 -2.7645 -2.1082 -2.1082 -1.0884 -1.0884 -0.8385 -0.8385 -0.4639 -0.4639 -0.2717 -0.2717 -0.1772 -0.1772 0.0273 0.0273 0.2880 0.2880 0.4839 0.4839 0.5473 0.5473 0.5696 0.5696 0.6871 0.6871 0.7220 0.7220 0.8137 0.8137 1.4150 1.4150 1.7654 1.7654 3.9233 3.9233 4.1412 4.1412 4.4282 4.4282 4.8820 4.8820 8.7441 8.7441 9.5943 9.5943 k = 0.2632 0.2133 0.0648 ( 8679 PWs) bands (ev): -13.8876 -13.8876 -13.6255 -13.6255 -12.3873 -12.3873 -12.3748 -12.3748 -12.2400 -12.2400 -11.9691 -11.9691 -10.0723 -10.0723 -9.5495 -9.5495 -3.7341 -3.7341 -3.3227 -3.3227 -3.1388 -3.1388 -2.7635 -2.7635 -2.0799 -2.0799 -1.0736 -1.0736 -0.8325 -0.8325 -0.4611 -0.4611 -0.2487 -0.2487 -0.1878 -0.1878 0.0042 0.0042 0.2579 0.2579 0.4845 0.4845 0.5419 0.5419 0.5653 0.5653 0.6822 0.6822 0.7135 0.7135 0.8223 0.8223 1.4025 1.4025 1.7533 1.7533 3.9278 3.9278 4.1313 4.1313 4.4321 4.4321 4.8729 4.8729 8.6991 8.6991 9.5987 9.5987 k = 0.2500 0.2027 0.0615 ( 8678 PWs) bands (ev): -13.8991 -13.8991 -13.6219 -13.6219 -12.3833 -12.3833 -12.3704 -12.3704 -12.2414 -12.2414 -11.9673 -11.9673 -10.0696 -10.0696 -9.5448 -9.5448 -3.7415 -3.7415 -3.3284 -3.3284 -3.1403 -3.1403 -2.7633 -2.7633 -2.0503 -2.0503 -1.0586 -1.0586 -0.8270 -0.8270 -0.4591 -0.4591 -0.2411 -0.2411 -0.1869 -0.1869 -0.0177 -0.0177 0.2266 0.2266 0.4837 0.4837 0.5322 0.5322 0.5618 0.5618 0.6748 0.6748 0.7050 0.7050 0.8279 0.8279 1.3907 1.3907 1.7399 1.7399 3.9341 3.9341 4.1318 4.1318 4.4377 4.4377 4.8657 4.8657 8.6539 8.6539 9.6011 9.6011 k = 0.2368 0.1920 0.0583 ( 8674 PWs) bands (ev): -13.9107 -13.9107 -13.6182 -13.6182 -12.3791 -12.3791 -12.3654 -12.3654 -12.2427 -12.2427 -11.9662 -11.9662 -10.0662 -10.0662 -9.5418 -9.5418 -3.7459 -3.7459 -3.3316 -3.3316 -3.1411 -3.1411 -2.7638 -2.7638 -2.0194 -2.0194 -1.0433 -1.0433 -0.8221 -0.8221 -0.4574 -0.4574 -0.2568 -0.2568 -0.1675 -0.1675 -0.0383 -0.0383 0.1948 0.1948 0.4812 0.4812 0.5211 0.5211 0.5567 0.5567 0.6645 0.6645 0.6969 0.6969 0.8303 0.8303 1.3798 1.3798 1.7255 1.7255 3.9421 3.9421 4.1429 4.1429 4.4449 4.4449 4.8606 4.8606 8.6088 8.6088 9.5991 9.5991 k = 0.2237 0.1813 0.0551 ( 8676 PWs) bands (ev): -13.9224 -13.9224 -13.6144 -13.6144 -12.3747 -12.3747 -12.3598 -12.3598 -12.2439 -12.2439 -11.9658 -11.9658 -10.0622 -10.0622 -9.5404 -9.5404 -3.7474 -3.7474 -3.3323 -3.3323 -3.1410 -3.1410 -2.7651 -2.7651 -1.9875 -1.9875 -1.0278 -1.0278 -0.8182 -0.8182 -0.4556 -0.4556 -0.2826 -0.2826 -0.1432 -0.1432 -0.0574 -0.0574 0.1631 0.1631 0.4763 0.4763 0.5104 0.5104 0.5491 0.5491 0.6509 0.6509 0.6896 0.6896 0.8297 0.8297 1.3698 1.3698 1.7100 1.7100 3.9520 3.9520 4.1634 4.1634 4.4537 4.4537 4.8578 4.8578 8.5640 8.5640 9.5909 9.5909 k = 0.2105 0.1707 0.0518 ( 8671 PWs) bands (ev): -13.9339 -13.9339 -13.6105 -13.6105 -12.3702 -12.3702 -12.3536 -12.3536 -12.2451 -12.2451 -11.9663 -11.9663 -10.0575 -10.0575 -9.5405 -9.5405 -3.7458 -3.7458 -3.3305 -3.3305 -3.1403 -3.1403 -2.7673 -2.7673 -1.9546 -1.9546 -1.0121 -1.0121 -0.8153 -0.8153 -0.4538 -0.4538 -0.3123 -0.3123 -0.1227 -0.1227 -0.0731 -0.0731 0.1322 0.1322 0.4675 0.4675 0.5014 0.5014 0.5391 0.5391 0.6348 0.6348 0.6833 0.6833 0.8266 0.8266 1.3608 1.3608 1.6936 1.6936 3.9640 3.9640 4.1919 4.1919 4.4643 4.4643 4.8575 4.8575 8.5197 8.5197 9.5781 9.5781 k = 0.1974 0.1600 0.0486 ( 8671 PWs) bands (ev): -13.9452 -13.9452 -13.6067 -13.6067 -12.3655 -12.3655 -12.3469 -12.3469 -12.2462 -12.2462 -11.9675 -11.9675 -10.0524 -10.0524 -9.5422 -9.5422 -3.7414 -3.7414 -3.3265 -3.3265 -3.1388 -3.1388 -2.7702 -2.7702 -1.9209 -1.9209 -0.9963 -0.9963 -0.8137 -0.8137 -0.4523 -0.4523 -0.3434 -0.3434 -0.1205 -0.1205 -0.0736 -0.0736 0.1028 0.1028 0.4545 0.4545 0.4941 0.4941 0.5276 0.5276 0.6169 0.6169 0.6777 0.6777 0.8216 0.8216 1.3526 1.3526 1.6765 1.6765 3.9780 3.9780 4.2261 4.2261 4.4771 4.4771 4.8601 4.8601 8.4760 8.4760 9.5637 9.5637 k = 0.1842 0.1493 0.0453 ( 8674 PWs) bands (ev): -13.9562 -13.9562 -13.6030 -13.6030 -12.3609 -12.3609 -12.3396 -12.3396 -12.2472 -12.2472 -11.9694 -11.9694 -10.0467 -10.0467 -9.5453 -9.5453 -3.7343 -3.7343 -3.3204 -3.3204 -3.1367 -3.1367 -2.7739 -2.7739 -1.8865 -1.8865 -0.9803 -0.9803 -0.8136 -0.8136 -0.4522 -0.4522 -0.3737 -0.3737 -0.1385 -0.1385 -0.0591 -0.0591 0.0760 0.0760 0.4380 0.4380 0.4865 0.4865 0.5163 0.5163 0.5981 0.5981 0.6729 0.6729 0.8153 0.8153 1.3453 1.3453 1.6587 1.6587 3.9937 3.9937 4.2640 4.2640 4.4927 4.4927 4.8657 4.8657 8.4333 8.4333 9.5489 9.5489 k = 0.1711 0.1387 0.0421 ( 8677 PWs) bands (ev): -13.9668 -13.9668 -13.5994 -13.5994 -12.3563 -12.3563 -12.3318 -12.3318 -12.2481 -12.2481 -11.9721 -11.9721 -10.0406 -10.0406 -9.5497 -9.5497 -3.7245 -3.7245 -3.3125 -3.3125 -3.1339 -3.1339 -2.7782 -2.7782 -1.8517 -1.8517 -0.9644 -0.9644 -0.8152 -0.8152 -0.4563 -0.4563 -0.3997 -0.3997 -0.1633 -0.1633 -0.0456 -0.0456 0.0533 0.0533 0.4194 0.4194 0.4759 0.4759 0.5071 0.5071 0.5799 0.5799 0.6687 0.6687 0.8083 0.8083 1.3389 1.3389 1.6405 1.6405 4.0102 4.0102 4.3037 4.3037 4.5115 4.5115 4.8746 4.8746 8.3919 8.3919 9.5344 9.5344 k = 0.1579 0.1280 0.0389 ( 8676 PWs) bands (ev): -13.9769 -13.9769 -13.5960 -13.5960 -12.3518 -12.3518 -12.3236 -12.3236 -12.2488 -12.2488 -11.9755 -11.9755 -10.0341 -10.0341 -9.5553 -9.5553 -3.7125 -3.7125 -3.3032 -3.3032 -3.1305 -3.1305 -2.7832 -2.7832 -1.8167 -1.8167 -0.9485 -0.9485 -0.8183 -0.8183 -0.4696 -0.4696 -0.4158 -0.4158 -0.1909 -0.1909 -0.0403 -0.0403 0.0379 0.0379 0.4004 0.4004 0.4615 0.4615 0.5000 0.5000 0.5640 0.5640 0.6650 0.6650 0.8009 0.8009 1.3333 1.3333 1.6219 1.6219 4.0265 4.0265 4.3434 4.3434 4.5337 4.5337 4.8872 4.8872 8.3519 8.3519 9.5204 9.5204 k = 0.1447 0.1173 0.0356 ( 8678 PWs) bands (ev): -13.9865 -13.9865 -13.5928 -13.5928 -12.3475 -12.3475 -12.3149 -12.3149 -12.2495 -12.2495 -11.9795 -11.9795 -10.0273 -10.0273 -9.5619 -9.5619 -3.6984 -3.6984 -3.2929 -3.2929 -3.1265 -3.1265 -2.7887 -2.7887 -1.7817 -1.7817 -0.9330 -0.9330 -0.8230 -0.8230 -0.4919 -0.4919 -0.4225 -0.4225 -0.2200 -0.2200 -0.0470 -0.0470 0.0316 0.0316 0.3826 0.3826 0.4439 0.4439 0.4931 0.4931 0.5521 0.5521 0.6617 0.6617 0.7936 0.7936 1.3286 1.3286 1.6033 1.6033 4.0417 4.0417 4.3819 4.3819 4.5589 4.5589 4.9036 4.9036 8.3137 8.3137 9.5069 9.5069 k = 0.1316 0.1067 0.0324 ( 8680 PWs) bands (ev): -13.9954 -13.9954 -13.5898 -13.5898 -12.3435 -12.3435 -12.3060 -12.3060 -12.2500 -12.2500 -11.9842 -11.9842 -10.0202 -10.0202 -9.5693 -9.5693 -3.6827 -3.6827 -3.2820 -3.2820 -3.1221 -3.1221 -2.7945 -2.7945 -1.7472 -1.7472 -0.9180 -0.9180 -0.8288 -0.8288 -0.5171 -0.5171 -0.4259 -0.4259 -0.2494 -0.2494 -0.0626 -0.0626 0.0306 0.0306 0.3677 0.3677 0.4243 0.4243 0.4852 0.4852 0.5453 0.5453 0.6586 0.6586 0.7863 0.7863 1.3246 1.3246 1.5847 1.5847 4.0550 4.0550 4.4186 4.4186 4.5860 4.5860 4.9239 4.9239 8.2775 8.2775 9.4941 9.4941 k = 0.1184 0.0960 0.0292 ( 8677 PWs) bands (ev): -14.0037 -14.0037 -13.5871 -13.5871 -12.3397 -12.3397 -12.2969 -12.2969 -12.2504 -12.2504 -11.9893 -11.9893 -10.0130 -10.0130 -9.5774 -9.5774 -3.6658 -3.6658 -3.2710 -3.2710 -3.1173 -3.1173 -2.8005 -2.8005 -1.7135 -1.7135 -0.9044 -0.9044 -0.8347 -0.8347 -0.5422 -0.5422 -0.4301 -0.4301 -0.2780 -0.2780 -0.0816 -0.0816 0.0294 0.0294 0.3563 0.3563 0.4038 0.4038 0.4767 0.4767 0.5431 0.5431 0.6557 0.6557 0.7793 0.7793 1.3215 1.3215 1.5664 1.5664 4.0660 4.0660 4.4533 4.4533 4.6134 4.6134 4.9480 4.9480 8.2437 8.2437 9.4819 9.4819 k = 0.1053 0.0853 0.0259 ( 8681 PWs) bands (ev): -14.0112 -14.0112 -13.5847 -13.5847 -12.3363 -12.3363 -12.2877 -12.2877 -12.2506 -12.2506 -11.9947 -11.9947 -10.0057 -10.0057 -9.5858 -9.5858 -3.6482 -3.6482 -3.2602 -3.2602 -3.1124 -3.1124 -2.8064 -2.8064 -1.6811 -1.6811 -0.8935 -0.8935 -0.8386 -0.8386 -0.5665 -0.5665 -0.4367 -0.4367 -0.3045 -0.3045 -0.1007 -0.1007 0.0259 0.0259 0.3469 0.3469 0.3852 0.3852 0.4684 0.4684 0.5444 0.5444 0.6528 0.6528 0.7724 0.7724 1.3193 1.3193 1.5486 1.5486 4.0745 4.0745 4.4859 4.4859 4.6397 4.6397 4.9753 4.9753 8.2124 8.2124 9.4705 9.4705 k = 0.0921 0.0747 0.0227 ( 8679 PWs) bands (ev): -14.0179 -14.0179 -13.5825 -13.5825 -12.3333 -12.3333 -12.2787 -12.2787 -12.2508 -12.2508 -12.0004 -12.0004 -9.9986 -9.9986 -9.5943 -9.5943 -3.6304 -3.6304 -3.2502 -3.2502 -3.1075 -3.1075 -2.8120 -2.8120 -1.6505 -1.6505 -0.8877 -0.8877 -0.8375 -0.8375 -0.5899 -0.5899 -0.4468 -0.4468 -0.3282 -0.3282 -0.1183 -0.1183 0.0202 0.0202 0.3349 0.3349 0.3735 0.3735 0.4607 0.4607 0.5481 0.5481 0.6496 0.6496 0.7657 0.7657 1.3179 1.3179 1.5316 1.5316 4.0807 4.0807 4.5160 4.5160 4.6639 4.6639 5.0046 5.0046 8.1840 8.1840 9.4600 9.4600 k = 0.0789 0.0640 0.0194 ( 8684 PWs) bands (ev): -14.0238 -14.0238 -13.5807 -13.5807 -12.3306 -12.3306 -12.2701 -12.2701 -12.2507 -12.2507 -12.0062 -12.0062 -9.9918 -9.9918 -9.6026 -9.6026 -3.6130 -3.6130 -3.2410 -3.2410 -3.1029 -3.1029 -2.8172 -2.8172 -1.6222 -1.6222 -0.8878 -0.8878 -0.8298 -0.8298 -0.6127 -0.6127 -0.4603 -0.4603 -0.3485 -0.3485 -0.1331 -0.1331 0.0132 0.0132 0.3178 0.3178 0.3709 0.3709 0.4538 0.4538 0.5536 0.5536 0.6462 0.6462 0.7594 0.7594 1.3173 1.3173 1.5156 1.5156 4.0850 4.0850 4.5431 4.5431 4.6855 4.6855 5.0345 5.0345 8.1587 8.1587 9.4505 9.4505 k = 0.0658 0.0533 0.0162 ( 8683 PWs) bands (ev): -14.0289 -14.0289 -13.5791 -13.5791 -12.3284 -12.3284 -12.2622 -12.2622 -12.2505 -12.2505 -12.0117 -12.0117 -9.9855 -9.9855 -9.6104 -9.6104 -3.5966 -3.5966 -3.2330 -3.2330 -3.0988 -3.0988 -2.8217 -2.8217 -1.5970 -1.5970 -0.8908 -0.8908 -0.8180 -0.8180 -0.6351 -0.6351 -0.4764 -0.4764 -0.3653 -0.3653 -0.1447 -0.1447 0.0060 0.0060 0.2991 0.2991 0.3736 0.3736 0.4478 0.4478 0.5606 0.5606 0.6421 0.6421 0.7534 0.7534 1.3174 1.3174 1.5010 1.5010 4.0877 4.0877 4.5666 4.5666 4.7044 4.7044 5.0632 5.0632 8.1368 8.1368 9.4421 9.4421 k = 0.0526 0.0427 0.0130 ( 8679 PWs) bands (ev): -14.0331 -14.0331 -13.5777 -13.5777 -12.3266 -12.3266 -12.2556 -12.2556 -12.2498 -12.2498 -12.0168 -12.0168 -9.9799 -9.9799 -9.6174 -9.6174 -3.5820 -3.5820 -3.2264 -3.2264 -3.0955 -3.0955 -2.8255 -2.8255 -1.5754 -1.5754 -0.8940 -0.8940 -0.8042 -0.8042 -0.6570 -0.6570 -0.4935 -0.4935 -0.3788 -0.3788 -0.1533 -0.1533 -0.0004 -0.0004 0.2815 0.2815 0.3784 0.3784 0.4426 0.4426 0.5687 0.5687 0.6373 0.6373 0.7482 0.7482 1.3181 1.3181 1.4882 1.4882 4.0893 4.0893 4.5861 4.5861 4.7203 4.7203 5.0892 5.0892 8.1185 8.1185 9.4350 9.4350 k = 0.0395 0.0320 0.0097 ( 8677 PWs) bands (ev): -14.0364 -14.0364 -13.5767 -13.5767 -12.3252 -12.3252 -12.2524 -12.2524 -12.2468 -12.2468 -12.0212 -12.0212 -9.9752 -9.9752 -9.6232 -9.6232 -3.5698 -3.5698 -3.2211 -3.2211 -3.0929 -3.0929 -2.8283 -2.8283 -1.5579 -1.5579 -0.8961 -0.8961 -0.7899 -0.7899 -0.6779 -0.6779 -0.5100 -0.5100 -0.3890 -0.3890 -0.1592 -0.1592 -0.0055 -0.0055 0.2666 0.2666 0.3835 0.3835 0.4383 0.4383 0.5776 0.5776 0.6315 0.6315 0.7438 0.7438 1.3191 1.3191 1.4775 1.4775 4.0902 4.0902 4.6012 4.6012 4.7333 4.7333 5.1110 5.1110 8.1041 8.1041 9.4293 9.4293 k = 0.0263 0.0213 0.0065 ( 8681 PWs) bands (ev): -14.0387 -14.0387 -13.5760 -13.5760 -12.3242 -12.3242 -12.2517 -12.2517 -12.2429 -12.2429 -12.0246 -12.0246 -9.9717 -9.9717 -9.6276 -9.6276 -3.5606 -3.5606 -3.2173 -3.2173 -3.0912 -3.0912 -2.8303 -2.8303 -1.5451 -1.5451 -0.8971 -0.8971 -0.7759 -0.7759 -0.6968 -0.6968 -0.5239 -0.5239 -0.3961 -0.3961 -0.1629 -0.1629 -0.0090 -0.0090 0.2552 0.2552 0.3879 0.3879 0.4349 0.4349 0.5870 0.5870 0.6247 0.6247 0.7405 0.7405 1.3202 1.3202 1.4694 1.4694 4.0906 4.0906 4.6119 4.6119 4.7430 4.7430 5.1274 5.1274 8.0936 8.0936 9.4252 9.4252 k = 0.0132 0.0107 0.0032 ( 8684 PWs) bands (ev): -14.0402 -14.0402 -13.5756 -13.5756 -12.3236 -12.3236 -12.2514 -12.2514 -12.2402 -12.2402 -12.0268 -12.0268 -9.9695 -9.9695 -9.6303 -9.6303 -3.5549 -3.5549 -3.2150 -3.2150 -3.0903 -3.0903 -2.8315 -2.8315 -1.5373 -1.5373 -0.8973 -0.8973 -0.7636 -0.7636 -0.7121 -0.7121 -0.5332 -0.5332 -0.4002 -0.4002 -0.1650 -0.1650 -0.0111 -0.0111 0.2481 0.2481 0.3909 0.3909 0.4327 0.4327 0.5962 0.5962 0.6172 0.6172 0.7384 0.7384 1.3210 1.3210 1.4644 1.4644 4.0907 4.0907 4.6183 4.6183 4.7489 4.7489 5.1376 5.1376 8.0873 8.0873 9.4227 9.4227 k = 0.0000 0.0000 0.0000 ( 8687 PWs) bands (ev): -14.0406 -14.0406 -13.5754 -13.5754 -12.3234 -12.3234 -12.2514 -12.2514 -12.2392 -12.2392 -12.0275 -12.0275 -9.9688 -9.9688 -9.6312 -9.6312 -3.5529 -3.5529 -3.2142 -3.2142 -3.0899 -3.0899 -2.8319 -2.8319 -1.5346 -1.5346 -0.8972 -0.8972 -0.7576 -0.7576 -0.7191 -0.7191 -0.5365 -0.5365 -0.4015 -0.4015 -0.1657 -0.1657 -0.0118 -0.0118 0.2457 0.2457 0.3920 0.3920 0.4319 0.4319 0.6020 0.6020 0.6120 0.6120 0.7377 0.7377 1.3213 1.3213 1.4627 1.4627 4.0907 4.0907 4.6204 4.6204 4.7510 4.7510 5.1410 5.1410 8.0852 8.0852 9.4218 9.4218 Writing output data file ICl3.save init_run : 3.33s CPU 13.35s WALL ( 1 calls) electrons : 1414.48s CPU 1427.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.64s WALL ( 1 calls) Called by electrons: c_bands : 1414.46s CPU 1427.63s WALL ( 1 calls) v_of_rho : 0.05s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.61s WALL ( 1 calls) newd : 0.78s CPU 0.91s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.15s WALL ( 229 calls) cegterg : 1360.92s CPU 1372.13s WALL ( 947 calls) Called by sum_band: Called by *egterg: h_psi : 567.80s CPU 581.63s WALL ( 18015 calls) s_psi : 90.84s CPU 91.36s WALL ( 18015 calls) g_psi : 1.38s CPU 1.44s WALL ( 16839 calls) cdiaghg : 503.04s CPU 499.80s WALL ( 17068 calls) cegterg:over : 100.39s CPU 97.34s WALL ( 16839 calls) cegterg:upda : 36.27s CPU 41.48s WALL ( 16839 calls) cegterg:last : 21.33s CPU 21.94s WALL ( 1634 calls) Called by h_psi: h_psi:vloc : 394.09s CPU 403.03s WALL ( 18015 calls) h_psi:vnl : 173.06s CPU 177.21s WALL ( 18015 calls) add_vuspsi : 71.94s CPU 77.56s WALL ( 18015 calls) General routines calbec : 101.04s CPU 99.45s WALL ( 18015 calls) fft : 0.25s CPU 1.31s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 378.74s CPU 384.76s WALL ( 1303620 calls) interpolate : 0.09s CPU 0.15s WALL ( 4 calls) davcio : 0.02s CPU 1.66s WALL ( 458 calls) Parallel routines fft_scatter : 237.27s CPU 238.37s WALL ( 1303643 calls) PWSCF : 24m41.23s CPU 27m 3.16s WALL This run was terminated on: 1:34:18 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=