Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:16:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li4NCl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 79 22 2028 2028 302 Max 80 80 23 2032 2032 305 Sum 2867 2867 801 73065 73065 10909 bravais-lattice index = 14 lattice parameter (alat) = 13.0769 a.u. unit-cell volume = 516.5376 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.076880 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.859940 celldm(5)= 0.859940 celldm(6)= 0.859940 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.859940 0.510395 0.000000 ) a(3) = ( 0.859940 0.235980 0.452567 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.684850 -1.021613 ) b(2) = ( 0.000000 1.959265 -1.021613 ) b(3) = ( 0.000000 0.000000 2.209618 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0098039 -0.0165181 -0.0100158), wk = 0.0030211 k( 3) = ( 0.0196078 -0.0330363 -0.0200316), wk = 0.0030211 k( 4) = ( 0.0294118 -0.0495544 -0.0300474), wk = 0.0030211 k( 5) = ( 0.0392157 -0.0660726 -0.0400633), wk = 0.0030211 k( 6) = ( 0.0490196 -0.0825907 -0.0500791), wk = 0.0030211 k( 7) = ( 0.0588235 -0.0991088 -0.0600949), wk = 0.0030211 k( 8) = ( 0.0686275 -0.1156270 -0.0701107), wk = 0.0030211 k( 9) = ( 0.0784314 -0.1321451 -0.0801265), wk = 0.0030211 k( 10) = ( 0.0882353 -0.1486632 -0.0901423), wk = 0.0030211 k( 11) = ( 0.0980392 -0.1651814 -0.1001581), wk = 0.0030211 k( 12) = ( 0.1078431 -0.1816995 -0.1101740), wk = 0.0030211 k( 13) = ( 0.1176471 -0.1982177 -0.1201898), wk = 0.0030211 k( 14) = ( 0.1274510 -0.2147358 -0.1302056), wk = 0.0030211 k( 15) = ( 0.1372549 -0.2312539 -0.1402214), wk = 0.0030211 k( 16) = ( 0.1470588 -0.2477721 -0.1502372), wk = 0.0030211 k( 17) = ( 0.1568627 -0.2642902 -0.1602530), wk = 0.0030211 k( 18) = ( 0.1666667 -0.2808084 -0.1702688), wk = 0.0030211 k( 19) = ( 0.1764706 -0.2973265 -0.1802847), wk = 0.0030211 k( 20) = ( 0.1862745 -0.3138446 -0.1903005), wk = 0.0030211 k( 21) = ( 0.1960784 -0.3303628 -0.2003163), wk = 0.0030211 k( 22) = ( 0.2058823 -0.3468809 -0.2103321), wk = 0.0030211 k( 23) = ( 0.2156863 -0.3633990 -0.2203479), wk = 0.0030211 k( 24) = ( 0.2254902 -0.3799172 -0.2303637), wk = 0.0030211 k( 25) = ( 0.2352941 -0.3964353 -0.2403795), wk = 0.0030211 k( 26) = ( 0.2450980 -0.4129535 -0.2503954), wk = 0.0030211 k( 27) = ( 0.2549020 -0.4294716 -0.2604112), wk = 0.0030211 k( 28) = ( 0.2647059 -0.4459897 -0.2704270), wk = 0.0030211 k( 29) = ( 0.2745098 -0.4625079 -0.2804428), wk = 0.0030211 k( 30) = ( 0.2843137 -0.4790260 -0.2904586), wk = 0.0030211 k( 31) = ( 0.2941177 -0.4955442 -0.3004744), wk = 0.0030211 k( 32) = ( 0.3039216 -0.5120623 -0.3104902), wk = 0.0030211 k( 33) = ( 0.3137255 -0.5285804 -0.3205061), wk = 0.0030211 k( 34) = ( 0.3235294 -0.5450986 -0.3305219), wk = 0.0030211 k( 35) = ( 0.3333333 -0.5616167 -0.3405377), wk = 0.0030211 k( 36) = ( 0.3431373 -0.5781348 -0.3505535), wk = 0.0030211 k( 37) = ( 0.3529412 -0.5946530 -0.3605693), wk = 0.0030211 k( 38) = ( 0.3627451 -0.6111711 -0.3705851), wk = 0.0030211 k( 39) = ( 0.3725490 -0.6276893 -0.3806009), wk = 0.0030211 k( 40) = ( 0.3823529 -0.6442074 -0.3906167), wk = 0.0030211 k( 41) = ( 0.3921569 -0.6607255 -0.4006326), wk = 0.0030211 k( 42) = ( 0.4019608 -0.6772437 -0.4106484), wk = 0.0030211 k( 43) = ( 0.4117647 -0.6937618 -0.4206642), wk = 0.0030211 k( 44) = ( 0.4215686 -0.7102800 -0.4306800), wk = 0.0030211 k( 45) = ( 0.4313726 -0.7267981 -0.4406958), wk = 0.0030211 k( 46) = ( 0.4411765 -0.7433162 -0.4507116), wk = 0.0030211 k( 47) = ( 0.4509804 -0.7598344 -0.4607274), wk = 0.0030211 k( 48) = ( 0.4607843 -0.7763525 -0.4707433), wk = 0.0030211 k( 49) = ( 0.4705882 -0.7928706 -0.4807591), wk = 0.0030211 k( 50) = ( 0.4803922 -0.8093888 -0.4907749), wk = 0.0030211 k( 51) = ( 0.4901961 -0.8259069 -0.5007907), wk = 0.0030211 k( 52) = ( 0.5000000 -0.8424251 -0.5108065), wk = 0.0030211 k( 53) = ( 0.5000000 -0.8424251 -0.5108065), wk = 0.0030211 k( 54) = ( 0.5000000 -0.8311696 -0.5293691), wk = 0.0030211 k( 55) = ( 0.5000000 -0.8199141 -0.5479317), wk = 0.0030211 k( 56) = ( 0.5000000 -0.8086586 -0.5664943), wk = 0.0030211 k( 57) = ( 0.5000000 -0.7974032 -0.5850569), wk = 0.0030211 k( 58) = ( 0.5000000 -0.7861477 -0.6036194), wk = 0.0030211 k( 59) = ( 0.5000000 -0.7748922 -0.6221820), wk = 0.0030211 k( 60) = ( 0.5000000 -0.7636368 -0.6407446), wk = 0.0030211 k( 61) = ( 0.5000000 -0.7523813 -0.6593072), wk = 0.0030211 k( 62) = ( 0.5000000 -0.7411258 -0.6778698), wk = 0.0030211 k( 63) = ( 0.5000000 -0.7298704 -0.6964324), wk = 0.0030211 k( 64) = ( 0.5000000 -0.7186149 -0.7149949), wk = 0.0030211 k( 65) = ( 0.5000000 -0.7073594 -0.7335575), wk = 0.0030211 k( 66) = ( 0.5000000 -0.6961040 -0.7521201), wk = 0.0030211 k( 67) = ( 0.5000000 -0.6848485 -0.7706827), wk = 0.0030211 k( 68) = ( 0.5000000 -0.6735930 -0.7892452), wk = 0.0030211 k( 69) = ( 0.5000000 -0.6623376 -0.8078078), wk = 0.0030211 k( 70) = ( 0.5000000 -0.6510821 -0.8263704), wk = 0.0030211 k( 71) = ( 0.5000000 -0.6398266 -0.8449330), wk = 0.0030211 k( 72) = ( 0.5000000 -0.6285712 -0.8634956), wk = 0.0030211 k( 73) = ( 0.5000000 -0.6173157 -0.8820582), wk = 0.0030211 k( 74) = ( 0.5000000 -0.6060602 -0.9006207), wk = 0.0030211 k( 75) = ( 0.5000000 -0.5948048 -0.9191833), wk = 0.0030211 k( 76) = ( 0.5000000 -0.5835493 -0.9377459), wk = 0.0030211 k( 77) = ( 0.5000000 -0.5722938 -0.9563085), wk = 0.0030211 k( 78) = ( 0.5000000 -0.5610384 -0.9748711), wk = 0.0030211 k( 79) = ( 0.5000000 -0.5497829 -0.9934337), wk = 0.0030211 k( 80) = ( 0.5000000 -0.5385274 -1.0119963), wk = 0.0030211 k( 81) = ( 0.5000000 -0.5272719 -1.0305588), wk = 0.0030211 k( 82) = ( 0.5000000 -0.5160165 -1.0491214), wk = 0.0030211 k( 83) = ( 0.5000000 -0.5047610 -1.0676840), wk = 0.0030211 k( 84) = ( 0.5000000 -0.4935056 -1.0862466), wk = 0.0030211 k( 85) = ( 0.5000000 -0.4822501 -1.1048091), wk = 0.0030211 k( 86) = ( 0.8161683 -0.3954887 -0.9384169), wk = 0.0030211 k( 87) = ( 0.8104198 -0.3858034 -0.9198421), wk = 0.0030211 k( 88) = ( 0.8046713 -0.3761180 -0.9012674), wk = 0.0030211 k( 89) = ( 0.7989228 -0.3664326 -0.8826926), wk = 0.0030211 k( 90) = ( 0.7931743 -0.3567472 -0.8641178), wk = 0.0030211 k( 91) = ( 0.7874258 -0.3470618 -0.8455430), wk = 0.0030211 k( 92) = ( 0.7816772 -0.3373764 -0.8269682), wk = 0.0030211 k( 93) = ( 0.7759287 -0.3276910 -0.8083934), wk = 0.0030211 k( 94) = ( 0.7701802 -0.3180056 -0.7898186), wk = 0.0030211 k( 95) = ( 0.7644317 -0.3083203 -0.7712439), wk = 0.0030211 k( 96) = ( 0.7586832 -0.2986349 -0.7526691), wk = 0.0030211 k( 97) = ( 0.7529347 -0.2889495 -0.7340943), wk = 0.0030211 k( 98) = ( 0.7471861 -0.2792641 -0.7155195), wk = 0.0030211 k( 99) = ( 0.7414376 -0.2695787 -0.6969448), wk = 0.0030211 k( 100) = ( 0.7356891 -0.2598933 -0.6783700), wk = 0.0030211 k( 101) = ( 0.7299406 -0.2502079 -0.6597952), wk = 0.0030211 k( 102) = ( 0.7241921 -0.2405226 -0.6412204), wk = 0.0030211 k( 103) = ( 0.7184436 -0.2308372 -0.6226456), wk = 0.0030211 k( 104) = ( 0.7126951 -0.2211518 -0.6040708), wk = 0.0030211 k( 105) = ( 0.7069465 -0.2114664 -0.5854961), wk = 0.0030211 k( 106) = ( 0.7011980 -0.2017810 -0.5669213), wk = 0.0030211 k( 107) = ( 0.6954495 -0.1920956 -0.5483465), wk = 0.0030211 k( 108) = ( 0.6897010 -0.1824102 -0.5297717), wk = 0.0030211 k( 109) = ( 0.6839525 -0.1727249 -0.5111969), wk = 0.0030211 k( 110) = ( 0.6782040 -0.1630395 -0.4926221), wk = 0.0030211 k( 111) = ( 0.6724555 -0.1533541 -0.4740474), wk = 0.0030211 k( 112) = ( 0.6667069 -0.1436687 -0.4554726), wk = 0.0030211 k( 113) = ( 0.6609584 -0.1339833 -0.4368978), wk = 0.0030211 k( 114) = ( 0.6552099 -0.1242979 -0.4183230), wk = 0.0030211 k( 115) = ( 0.6494614 -0.1146125 -0.3997482), wk = 0.0030211 k( 116) = ( 0.6437129 -0.1049271 -0.3811734), wk = 0.0030211 k( 117) = ( 0.6379644 -0.0952418 -0.3625986), wk = 0.0030211 k( 118) = ( 0.6322159 -0.0855564 -0.3440239), wk = 0.0030211 k( 119) = ( 0.6264673 -0.0758710 -0.3254491), wk = 0.0030211 k( 120) = ( 0.6207188 -0.0661856 -0.3068743), wk = 0.0030211 k( 121) = ( 0.6149703 -0.0565002 -0.2882995), wk = 0.0030211 k( 122) = ( 0.6092218 -0.0468148 -0.2697248), wk = 0.0030211 k( 123) = ( 0.6034733 -0.0371294 -0.2511500), wk = 0.0030211 k( 124) = ( 0.5977248 -0.0274441 -0.2325752), wk = 0.0030211 k( 125) = ( 0.5919762 -0.0177587 -0.2140004), wk = 0.0030211 k( 126) = ( 0.5862277 -0.0080733 -0.1954256), wk = 0.0030211 k( 127) = ( 0.5804792 0.0016121 -0.1768508), wk = 0.0030211 k( 128) = ( 0.5747307 0.0112975 -0.1582761), wk = 0.0030211 k( 129) = ( 0.5689822 0.0209829 -0.1397013), wk = 0.0030211 k( 130) = ( 0.5632337 0.0306683 -0.1211265), wk = 0.0030211 k( 131) = ( 0.5574851 0.0403537 -0.1025517), wk = 0.0030211 k( 132) = ( 0.5517366 0.0500390 -0.0839769), wk = 0.0030211 k( 133) = ( 0.5459881 0.0597244 -0.0654021), wk = 0.0030211 k( 134) = ( 0.5402396 0.0694098 -0.0468274), wk = 0.0030211 k( 135) = ( 0.5344911 0.0790952 -0.0282526), wk = 0.0030211 k( 136) = ( 0.5287426 0.0887806 -0.0096778), wk = 0.0030211 k( 137) = ( 0.5229941 0.0984660 0.0088970), wk = 0.0030211 k( 138) = ( 0.5172456 0.1081513 0.0274718), wk = 0.0030211 k( 139) = ( 0.5114970 0.1178367 0.0460466), wk = 0.0030211 k( 140) = ( 0.5057485 0.1275221 0.0646213), wk = 0.0030211 k( 141) = ( 0.5000000 0.1372075 0.0831961), wk = 0.0030211 k( 142) = ( 0.5000000 0.1372075 0.0831961), wk = 0.0030211 k( 143) = ( 0.4791667 0.1314905 0.0797296), wk = 0.0030211 k( 144) = ( 0.4583333 0.1257736 0.0762631), wk = 0.0030211 k( 145) = ( 0.4375000 0.1200566 0.0727966), wk = 0.0030211 k( 146) = ( 0.4166667 0.1143396 0.0693301), wk = 0.0030211 k( 147) = ( 0.3958333 0.1086226 0.0658636), wk = 0.0030211 k( 148) = ( 0.3750000 0.1029056 0.0623971), wk = 0.0030211 k( 149) = ( 0.3541667 0.0971887 0.0589306), wk = 0.0030211 k( 150) = ( 0.3333333 0.0914717 0.0554641), wk = 0.0030211 k( 151) = ( 0.3125000 0.0857547 0.0519976), wk = 0.0030211 k( 152) = ( 0.2916667 0.0800377 0.0485311), wk = 0.0030211 k( 153) = ( 0.2708333 0.0743207 0.0450646), wk = 0.0030211 k( 154) = ( 0.2500000 0.0686038 0.0415981), wk = 0.0030211 k( 155) = ( 0.2291667 0.0628868 0.0381316), wk = 0.0030211 k( 156) = ( 0.2083333 0.0571698 0.0346650), wk = 0.0030211 k( 157) = ( 0.1875000 0.0514528 0.0311985), wk = 0.0030211 k( 158) = ( 0.1666667 0.0457358 0.0277320), wk = 0.0030211 k( 159) = ( 0.1458333 0.0400189 0.0242655), wk = 0.0030211 k( 160) = ( 0.1250000 0.0343019 0.0207990), wk = 0.0030211 k( 161) = ( 0.1041667 0.0285849 0.0173325), wk = 0.0030211 k( 162) = ( 0.0833333 0.0228679 0.0138660), wk = 0.0030211 k( 163) = ( 0.0625000 0.0171509 0.0103995), wk = 0.0030211 k( 164) = ( 0.0416667 0.0114340 0.0069330), wk = 0.0030211 k( 165) = ( 0.0208333 0.0057170 0.0034665), wk = 0.0030211 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 168) = ( 0.0057952 -0.0097640 -0.0187256), wk = 0.0030211 k( 169) = ( 0.0115904 -0.0195280 -0.0374512), wk = 0.0030211 k( 170) = ( 0.0173855 -0.0292920 -0.0561767), wk = 0.0030211 k( 171) = ( 0.0231807 -0.0390561 -0.0749023), wk = 0.0030211 k( 172) = ( 0.0289759 -0.0488201 -0.0936279), wk = 0.0030211 k( 173) = ( 0.0347711 -0.0585841 -0.1123535), wk = 0.0030211 k( 174) = ( 0.0405663 -0.0683481 -0.1310791), wk = 0.0030211 k( 175) = ( 0.0463615 -0.0781121 -0.1498046), wk = 0.0030211 k( 176) = ( 0.0521566 -0.0878761 -0.1685302), wk = 0.0030211 k( 177) = ( 0.0579518 -0.0976402 -0.1872558), wk = 0.0030211 k( 178) = ( 0.0637470 -0.1074042 -0.2059814), wk = 0.0030211 k( 179) = ( 0.0695422 -0.1171682 -0.2247069), wk = 0.0030211 k( 180) = ( 0.0753374 -0.1269322 -0.2434325), wk = 0.0030211 k( 181) = ( 0.0811326 -0.1366962 -0.2621581), wk = 0.0030211 k( 182) = ( 0.0869277 -0.1464602 -0.2808837), wk = 0.0030211 k( 183) = ( 0.0927229 -0.1562243 -0.2996093), wk = 0.0030211 k( 184) = ( 0.0985181 -0.1659883 -0.3183348), wk = 0.0030211 k( 185) = ( 0.1043133 -0.1757523 -0.3370604), wk = 0.0030211 k( 186) = ( 0.1101085 -0.1855163 -0.3557860), wk = 0.0030211 k( 187) = ( 0.1159037 -0.1952803 -0.3745116), wk = 0.0030211 k( 188) = ( 0.1216989 -0.2050443 -0.3932372), wk = 0.0030211 k( 189) = ( 0.1274940 -0.2148083 -0.4119627), wk = 0.0030211 k( 190) = ( 0.1332892 -0.2245724 -0.4306883), wk = 0.0030211 k( 191) = ( 0.1390844 -0.2343364 -0.4494139), wk = 0.0030211 k( 192) = ( 0.1448796 -0.2441004 -0.4681395), wk = 0.0030211 k( 193) = ( 0.1506748 -0.2538644 -0.4868650), wk = 0.0030211 k( 194) = ( 0.1564700 -0.2636284 -0.5055906), wk = 0.0030211 k( 195) = ( 0.1622651 -0.2733924 -0.5243162), wk = 0.0030211 k( 196) = ( 0.1680603 -0.2831564 -0.5430418), wk = 0.0030211 k( 197) = ( 0.1738555 -0.2929205 -0.5617674), wk = 0.0030211 k( 198) = ( 0.1796507 -0.3026845 -0.5804929), wk = 0.0030211 k( 199) = ( 0.1854459 -0.3124485 -0.5992185), wk = 0.0030211 k( 200) = ( 0.1912411 -0.3222125 -0.6179441), wk = 0.0030211 k( 201) = ( 0.1970362 -0.3319765 -0.6366697), wk = 0.0030211 k( 202) = ( 0.2028314 -0.3417406 -0.6553953), wk = 0.0030211 k( 203) = ( 0.2086266 -0.3515046 -0.6741208), wk = 0.0030211 k( 204) = ( 0.2144218 -0.3612686 -0.6928464), wk = 0.0030211 k( 205) = ( 0.2202170 -0.3710326 -0.7115720), wk = 0.0030211 k( 206) = ( 0.2260122 -0.3807966 -0.7302976), wk = 0.0030211 k( 207) = ( 0.2318073 -0.3905606 -0.7490231), wk = 0.0030211 k( 208) = ( 0.2376025 -0.4003246 -0.7677487), wk = 0.0030211 k( 209) = ( 0.2433977 -0.4100887 -0.7864743), wk = 0.0030211 k( 210) = ( 0.2491929 -0.4198527 -0.8051999), wk = 0.0030211 k( 211) = ( 0.2549881 -0.4296167 -0.8239255), wk = 0.0030211 k( 212) = ( 0.2607833 -0.4393807 -0.8426510), wk = 0.0030211 k( 213) = ( 0.2665785 -0.4491447 -0.8613766), wk = 0.0030211 k( 214) = ( 0.2723736 -0.4589087 -0.8801022), wk = 0.0030211 k( 215) = ( 0.2781688 -0.4686727 -0.8988278), wk = 0.0030211 k( 216) = ( 0.2839640 -0.4784368 -0.9175534), wk = 0.0030211 k( 217) = ( 0.2897592 -0.4882008 -0.9362789), wk = 0.0030211 k( 218) = ( 0.2955544 -0.4979648 -0.9550045), wk = 0.0030211 k( 219) = ( 0.3013496 -0.5077288 -0.9737301), wk = 0.0030211 k( 220) = ( 0.3071447 -0.5174928 -0.9924557), wk = 0.0030211 k( 221) = ( 0.3129399 -0.5272568 -1.0111812), wk = 0.0030211 k( 222) = ( 0.3187351 -0.5370209 -1.0299068), wk = 0.0030211 k( 223) = ( 0.3245303 -0.5467849 -1.0486324), wk = 0.0030211 k( 224) = ( 0.3303255 -0.5565489 -1.0673580), wk = 0.0030211 k( 225) = ( 0.3361207 -0.5663129 -1.0860836), wk = 0.0030211 k( 226) = ( 0.3419158 -0.5760769 -1.1048091), wk = 0.0030211 k( 227) = ( 0.6580842 -0.4388694 -1.0216130), wk = 0.0030211 k( 228) = ( 0.6524383 -0.4182952 -1.0216130), wk = 0.0030211 k( 229) = ( 0.6467924 -0.3977211 -1.0216130), wk = 0.0030211 k( 230) = ( 0.6411466 -0.3771469 -1.0216130), wk = 0.0030211 k( 231) = ( 0.6355007 -0.3565727 -1.0216130), wk = 0.0030211 k( 232) = ( 0.6298548 -0.3359985 -1.0216130), wk = 0.0030211 k( 233) = ( 0.6242090 -0.3154244 -1.0216130), wk = 0.0030211 k( 234) = ( 0.6185631 -0.2948502 -1.0216130), wk = 0.0030211 k( 235) = ( 0.6129173 -0.2742760 -1.0216130), wk = 0.0030211 k( 236) = ( 0.6072714 -0.2537018 -1.0216130), wk = 0.0030211 k( 237) = ( 0.6016255 -0.2331277 -1.0216130), wk = 0.0030211 k( 238) = ( 0.5959797 -0.2125535 -1.0216130), wk = 0.0030211 k( 239) = ( 0.5903338 -0.1919793 -1.0216130), wk = 0.0030211 k( 240) = ( 0.5846879 -0.1714051 -1.0216130), wk = 0.0030211 k( 241) = ( 0.5790421 -0.1508309 -1.0216130), wk = 0.0030211 k( 242) = ( 0.5733962 -0.1302568 -1.0216130), wk = 0.0030211 k( 243) = ( 0.5677504 -0.1096826 -1.0216130), wk = 0.0030211 k( 244) = ( 0.5621045 -0.0891084 -1.0216130), wk = 0.0030211 k( 245) = ( 0.5564586 -0.0685342 -1.0216130), wk = 0.0030211 k( 246) = ( 0.5508128 -0.0479601 -1.0216130), wk = 0.0030211 k( 247) = ( 0.5451669 -0.0273859 -1.0216130), wk = 0.0030211 k( 248) = ( 0.5395210 -0.0068117 -1.0216130), wk = 0.0030211 k( 249) = ( 0.5338752 0.0137625 -1.0216130), wk = 0.0030211 k( 250) = ( 0.5282293 0.0343366 -1.0216130), wk = 0.0030211 k( 251) = ( 0.5225834 0.0549108 -1.0216130), wk = 0.0030211 k( 252) = ( 0.5169376 0.0754850 -1.0216130), wk = 0.0030211 k( 253) = ( 0.5112917 0.0960592 -1.0216130), wk = 0.0030211 k( 254) = ( 0.5056459 0.1166334 -1.0216130), wk = 0.0030211 k( 255) = ( 0.5000000 0.1372075 -1.0216130), wk = 0.0030211 k( 256) = ( 0.5000000 0.1372075 -1.0216130), wk = 0.0030211 k( 257) = ( 0.5175649 0.1420276 -1.0123690), wk = 0.0030211 k( 258) = ( 0.5351298 0.1468477 -1.0031250), wk = 0.0030211 k( 259) = ( 0.5526947 0.1516677 -0.9938810), wk = 0.0030211 k( 260) = ( 0.5702596 0.1564878 -0.9846370), wk = 0.0030211 k( 261) = ( 0.5878245 0.1613079 -0.9753930), wk = 0.0030211 k( 262) = ( 0.6053894 0.1661280 -0.9661490), wk = 0.0030211 k( 263) = ( 0.6229543 0.1709480 -0.9569049), wk = 0.0030211 k( 264) = ( 0.6405193 0.1757681 -0.9476609), wk = 0.0030211 k( 265) = ( 0.6580842 0.1805882 -0.9384169), wk = 0.0030211 k( 266) = ( 0.6580842 0.1805882 -0.9384169), wk = 0.0030211 k( 267) = ( 0.6547207 0.1796652 -0.9166805), wk = 0.0030211 k( 268) = ( 0.6513572 0.1787422 -0.8949440), wk = 0.0030211 k( 269) = ( 0.6479937 0.1778192 -0.8732076), wk = 0.0030211 k( 270) = ( 0.6446302 0.1768962 -0.8514711), wk = 0.0030211 k( 271) = ( 0.6412667 0.1759732 -0.8297347), wk = 0.0030211 k( 272) = ( 0.6379032 0.1750502 -0.8079982), wk = 0.0030211 k( 273) = ( 0.6345397 0.1741272 -0.7862618), wk = 0.0030211 k( 274) = ( 0.6311762 0.1732042 -0.7645253), wk = 0.0030211 k( 275) = ( 0.6278127 0.1722813 -0.7427889), wk = 0.0030211 k( 276) = ( 0.6244492 0.1713583 -0.7210525), wk = 0.0030211 k( 277) = ( 0.6210857 0.1704353 -0.6993160), wk = 0.0030211 k( 278) = ( 0.6177223 0.1695123 -0.6775796), wk = 0.0030211 k( 279) = ( 0.6143588 0.1685893 -0.6558431), wk = 0.0030211 k( 280) = ( 0.6109953 0.1676663 -0.6341067), wk = 0.0030211 k( 281) = ( 0.6076318 0.1667433 -0.6123702), wk = 0.0030211 k( 282) = ( 0.6042683 0.1658203 -0.5906338), wk = 0.0030211 k( 283) = ( 0.6009048 0.1648973 -0.5688973), wk = 0.0030211 k( 284) = ( 0.5975413 0.1639743 -0.5471609), wk = 0.0030211 k( 285) = ( 0.5941778 0.1630513 -0.5254244), wk = 0.0030211 k( 286) = ( 0.5908143 0.1621283 -0.5036880), wk = 0.0030211 k( 287) = ( 0.5874508 0.1612053 -0.4819515), wk = 0.0030211 k( 288) = ( 0.5840873 0.1602823 -0.4602151), wk = 0.0030211 k( 289) = ( 0.5807238 0.1593593 -0.4384786), wk = 0.0030211 k( 290) = ( 0.5773603 0.1584364 -0.4167422), wk = 0.0030211 k( 291) = ( 0.5739968 0.1575134 -0.3950057), wk = 0.0030211 k( 292) = ( 0.5706334 0.1565904 -0.3732693), wk = 0.0030211 k( 293) = ( 0.5672699 0.1556674 -0.3515328), wk = 0.0030211 k( 294) = ( 0.5639064 0.1547444 -0.3297964), wk = 0.0030211 k( 295) = ( 0.5605429 0.1538214 -0.3080599), wk = 0.0030211 k( 296) = ( 0.5571794 0.1528984 -0.2863235), wk = 0.0030211 k( 297) = ( 0.5538159 0.1519754 -0.2645870), wk = 0.0030211 k( 298) = ( 0.5504524 0.1510524 -0.2428506), wk = 0.0030211 k( 299) = ( 0.5470889 0.1501294 -0.2211141), wk = 0.0030211 k( 300) = ( 0.5437254 0.1492064 -0.1993777), wk = 0.0030211 k( 301) = ( 0.5403619 0.1482834 -0.1776413), wk = 0.0030211 k( 302) = ( 0.5369984 0.1473604 -0.1559048), wk = 0.0030211 k( 303) = ( 0.5336349 0.1464374 -0.1341684), wk = 0.0030211 k( 304) = ( 0.5302714 0.1455145 -0.1124319), wk = 0.0030211 k( 305) = ( 0.5269079 0.1445915 -0.0906955), wk = 0.0030211 k( 306) = ( 0.5235445 0.1436685 -0.0689590), wk = 0.0030211 k( 307) = ( 0.5201810 0.1427455 -0.0472226), wk = 0.0030211 k( 308) = ( 0.5168175 0.1418225 -0.0254861), wk = 0.0030211 k( 309) = ( 0.5134540 0.1408995 -0.0037497), wk = 0.0030211 k( 310) = ( 0.5100905 0.1399765 0.0179868), wk = 0.0030211 k( 311) = ( 0.5067270 0.1390535 0.0397232), wk = 0.0030211 k( 312) = ( 0.5033635 0.1381305 0.0614597), wk = 0.0030211 k( 313) = ( 0.5000000 0.1372075 0.0831961), wk = 0.0030211 k( 314) = ( 0.5000000 -0.8424251 -0.5108065), wk = 0.0030211 k( 315) = ( 0.5185981 -0.8343540 -0.5059126), wk = 0.0030211 k( 316) = ( 0.5371963 -0.8262830 -0.5010187), wk = 0.0030211 k( 317) = ( 0.5557944 -0.8182120 -0.4961248), wk = 0.0030211 k( 318) = ( 0.5743926 -0.8101409 -0.4912310), wk = 0.0030211 k( 319) = ( 0.5929907 -0.8020699 -0.4863371), wk = 0.0030211 k( 320) = ( 0.6115888 -0.7939989 -0.4814432), wk = 0.0030211 k( 321) = ( 0.6301870 -0.7859278 -0.4765493), wk = 0.0030211 k( 322) = ( 0.6487851 -0.7778568 -0.4716554), wk = 0.0030211 k( 323) = ( 0.6673832 -0.7697858 -0.4667615), wk = 0.0030211 k( 324) = ( 0.6859814 -0.7617147 -0.4618676), wk = 0.0030211 k( 325) = ( 0.7045795 -0.7536437 -0.4569737), wk = 0.0030211 k( 326) = ( 0.7231777 -0.7455727 -0.4520799), wk = 0.0030211 k( 327) = ( 0.7417758 -0.7375017 -0.4471860), wk = 0.0030211 k( 328) = ( 0.7603739 -0.7294306 -0.4422921), wk = 0.0030211 k( 329) = ( 0.7789721 -0.7213596 -0.4373982), wk = 0.0030211 k( 330) = ( 0.7975702 -0.7132886 -0.4325043), wk = 0.0030211 k( 331) = ( 0.8161683 -0.7052175 -0.4276104), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0030211 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0030211 k( 4) = ( 0.0294118 0.0000000 0.0000000), wk = 0.0030211 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0030211 k( 6) = ( 0.0490196 -0.0000000 0.0000000), wk = 0.0030211 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0030211 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0030211 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0030211 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0030211 k( 11) = ( 0.0980392 -0.0000000 0.0000000), wk = 0.0030211 k( 12) = ( 0.1078431 -0.0000000 0.0000000), wk = 0.0030211 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0030211 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0030211 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0030211 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0030211 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0030211 k( 18) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0030211 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0030211 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0030211 k( 21) = ( 0.1960784 -0.0000000 -0.0000000), wk = 0.0030211 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0030211 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0030211 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0030211 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0030211 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0030211 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0030211 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0030211 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0030211 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0030211 k( 31) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0030211 k( 32) = ( 0.3039216 0.0000000 0.0000000), wk = 0.0030211 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0030211 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0030211 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0030211 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0030211 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0030211 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0030211 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0030211 k( 40) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0030211 k( 41) = ( 0.3921569 -0.0000000 -0.0000000), wk = 0.0030211 k( 42) = ( 0.4019608 -0.0000000 0.0000000), wk = 0.0030211 k( 43) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0030211 k( 44) = ( 0.4215686 -0.0000000 0.0000000), wk = 0.0030211 k( 45) = ( 0.4313726 -0.0000000 0.0000000), wk = 0.0030211 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0030211 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0030211 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0030211 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0030211 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0030211 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0030211 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 54) = ( 0.5000000 0.0057447 -0.0057447), wk = 0.0030211 k( 55) = ( 0.5000000 0.0114895 -0.0114895), wk = 0.0030211 k( 56) = ( 0.5000000 0.0172342 -0.0172342), wk = 0.0030211 k( 57) = ( 0.5000000 0.0229790 -0.0229790), wk = 0.0030211 k( 58) = ( 0.5000000 0.0287237 -0.0287237), wk = 0.0030211 k( 59) = ( 0.5000000 0.0344684 -0.0344684), wk = 0.0030211 k( 60) = ( 0.5000000 0.0402132 -0.0402132), wk = 0.0030211 k( 61) = ( 0.5000000 0.0459579 -0.0459579), wk = 0.0030211 k( 62) = ( 0.5000000 0.0517027 -0.0517027), wk = 0.0030211 k( 63) = ( 0.5000000 0.0574474 -0.0574474), wk = 0.0030211 k( 64) = ( 0.5000000 0.0631921 -0.0631921), wk = 0.0030211 k( 65) = ( 0.5000000 0.0689369 -0.0689369), wk = 0.0030211 k( 66) = ( 0.5000000 0.0746816 -0.0746816), wk = 0.0030211 k( 67) = ( 0.5000000 0.0804264 -0.0804263), wk = 0.0030211 k( 68) = ( 0.5000000 0.0861711 -0.0861711), wk = 0.0030211 k( 69) = ( 0.5000000 0.0919158 -0.0919158), wk = 0.0030211 k( 70) = ( 0.5000000 0.0976606 -0.0976606), wk = 0.0030211 k( 71) = ( 0.5000000 0.1034053 -0.1034053), wk = 0.0030211 k( 72) = ( 0.5000000 0.1091501 -0.1091500), wk = 0.0030211 k( 73) = ( 0.5000000 0.1148948 -0.1148948), wk = 0.0030211 k( 74) = ( 0.5000000 0.1206395 -0.1206395), wk = 0.0030211 k( 75) = ( 0.5000000 0.1263843 -0.1263843), wk = 0.0030211 k( 76) = ( 0.5000000 0.1321290 -0.1321290), wk = 0.0030211 k( 77) = ( 0.5000000 0.1378738 -0.1378737), wk = 0.0030211 k( 78) = ( 0.5000000 0.1436185 -0.1436185), wk = 0.0030211 k( 79) = ( 0.5000000 0.1493632 -0.1493632), wk = 0.0030211 k( 80) = ( 0.5000000 0.1551080 -0.1551080), wk = 0.0030211 k( 81) = ( 0.5000000 0.1608527 -0.1608527), wk = 0.0030211 k( 82) = ( 0.5000000 0.1665975 -0.1665975), wk = 0.0030211 k( 83) = ( 0.5000000 0.1723422 -0.1723422), wk = 0.0030211 k( 84) = ( 0.5000000 0.1780869 -0.1780869), wk = 0.0030211 k( 85) = ( 0.5000000 0.1838317 -0.1838317), wk = 0.0030211 k( 86) = ( 0.8161683 0.5000000 0.1838317), wk = 0.0030211 k( 87) = ( 0.8104198 0.5000000 0.1895802), wk = 0.0030211 k( 88) = ( 0.8046713 0.5000000 0.1953287), wk = 0.0030211 k( 89) = ( 0.7989228 0.5000000 0.2010772), wk = 0.0030211 k( 90) = ( 0.7931743 0.5000000 0.2068257), wk = 0.0030211 k( 91) = ( 0.7874258 0.5000000 0.2125742), wk = 0.0030211 k( 92) = ( 0.7816772 0.5000000 0.2183228), wk = 0.0030211 k( 93) = ( 0.7759287 0.5000000 0.2240713), wk = 0.0030211 k( 94) = ( 0.7701802 0.5000000 0.2298198), wk = 0.0030211 k( 95) = ( 0.7644317 0.5000000 0.2355683), wk = 0.0030211 k( 96) = ( 0.7586832 0.5000000 0.2413168), wk = 0.0030211 k( 97) = ( 0.7529347 0.5000000 0.2470653), wk = 0.0030211 k( 98) = ( 0.7471861 0.5000000 0.2528139), wk = 0.0030211 k( 99) = ( 0.7414376 0.5000000 0.2585624), wk = 0.0030211 k( 100) = ( 0.7356891 0.5000000 0.2643109), wk = 0.0030211 k( 101) = ( 0.7299406 0.5000000 0.2700594), wk = 0.0030211 k( 102) = ( 0.7241921 0.5000000 0.2758079), wk = 0.0030211 k( 103) = ( 0.7184436 0.5000000 0.2815564), wk = 0.0030211 k( 104) = ( 0.7126951 0.5000000 0.2873049), wk = 0.0030211 k( 105) = ( 0.7069465 0.5000000 0.2930535), wk = 0.0030211 k( 106) = ( 0.7011980 0.5000000 0.2988020), wk = 0.0030211 k( 107) = ( 0.6954495 0.5000000 0.3045505), wk = 0.0030211 k( 108) = ( 0.6897010 0.5000000 0.3102990), wk = 0.0030211 k( 109) = ( 0.6839525 0.5000000 0.3160475), wk = 0.0030211 k( 110) = ( 0.6782040 0.5000000 0.3217960), wk = 0.0030211 k( 111) = ( 0.6724555 0.5000000 0.3275445), wk = 0.0030211 k( 112) = ( 0.6667069 0.5000000 0.3332931), wk = 0.0030211 k( 113) = ( 0.6609584 0.5000000 0.3390416), wk = 0.0030211 k( 114) = ( 0.6552099 0.5000000 0.3447901), wk = 0.0030211 k( 115) = ( 0.6494614 0.5000000 0.3505386), wk = 0.0030211 k( 116) = ( 0.6437129 0.5000000 0.3562871), wk = 0.0030211 k( 117) = ( 0.6379644 0.5000000 0.3620356), wk = 0.0030211 k( 118) = ( 0.6322159 0.5000000 0.3677841), wk = 0.0030211 k( 119) = ( 0.6264673 0.5000000 0.3735327), wk = 0.0030211 k( 120) = ( 0.6207188 0.5000000 0.3792812), wk = 0.0030211 k( 121) = ( 0.6149703 0.5000000 0.3850297), wk = 0.0030211 k( 122) = ( 0.6092218 0.5000000 0.3907782), wk = 0.0030211 k( 123) = ( 0.6034733 0.5000000 0.3965267), wk = 0.0030211 k( 124) = ( 0.5977248 0.5000000 0.4022752), wk = 0.0030211 k( 125) = ( 0.5919762 0.5000000 0.4080238), wk = 0.0030211 k( 126) = ( 0.5862277 0.5000000 0.4137723), wk = 0.0030211 k( 127) = ( 0.5804792 0.5000000 0.4195208), wk = 0.0030211 k( 128) = ( 0.5747307 0.5000000 0.4252693), wk = 0.0030211 k( 129) = ( 0.5689822 0.5000000 0.4310178), wk = 0.0030211 k( 130) = ( 0.5632337 0.5000000 0.4367663), wk = 0.0030211 k( 131) = ( 0.5574851 0.5000000 0.4425148), wk = 0.0030211 k( 132) = ( 0.5517366 0.5000000 0.4482634), wk = 0.0030211 k( 133) = ( 0.5459881 0.5000000 0.4540119), wk = 0.0030211 k( 134) = ( 0.5402396 0.5000000 0.4597604), wk = 0.0030211 k( 135) = ( 0.5344911 0.5000000 0.4655089), wk = 0.0030211 k( 136) = ( 0.5287426 0.5000000 0.4712574), wk = 0.0030211 k( 137) = ( 0.5229941 0.5000000 0.4770059), wk = 0.0030211 k( 138) = ( 0.5172456 0.5000000 0.4827544), wk = 0.0030211 k( 139) = ( 0.5114970 0.5000000 0.4885030), wk = 0.0030211 k( 140) = ( 0.5057485 0.5000000 0.4942515), wk = 0.0030211 k( 141) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 143) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0030211 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0030211 k( 145) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0030211 k( 146) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030211 k( 147) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0030211 k( 148) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030211 k( 149) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0030211 k( 150) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030211 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0030211 k( 152) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0030211 k( 153) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0030211 k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030211 k( 155) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0030211 k( 156) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0030211 k( 157) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0030211 k( 158) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030211 k( 159) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0030211 k( 160) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030211 k( 161) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0030211 k( 162) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030211 k( 163) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0030211 k( 164) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0030211 k( 165) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0030211 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 168) = ( 0.0057952 0.0000000 -0.0057952), wk = 0.0030211 k( 169) = ( 0.0115904 0.0000000 -0.0115904), wk = 0.0030211 k( 170) = ( 0.0173855 -0.0000000 -0.0173855), wk = 0.0030211 k( 171) = ( 0.0231807 0.0000000 -0.0231807), wk = 0.0030211 k( 172) = ( 0.0289759 0.0000000 -0.0289759), wk = 0.0030211 k( 173) = ( 0.0347711 -0.0000000 -0.0347711), wk = 0.0030211 k( 174) = ( 0.0405663 0.0000000 -0.0405663), wk = 0.0030211 k( 175) = ( 0.0463615 0.0000000 -0.0463615), wk = 0.0030211 k( 176) = ( 0.0521566 0.0000000 -0.0521566), wk = 0.0030211 k( 177) = ( 0.0579518 0.0000000 -0.0579518), wk = 0.0030211 k( 178) = ( 0.0637470 0.0000000 -0.0637470), wk = 0.0030211 k( 179) = ( 0.0695422 -0.0000000 -0.0695422), wk = 0.0030211 k( 180) = ( 0.0753374 -0.0000000 -0.0753374), wk = 0.0030211 k( 181) = ( 0.0811326 0.0000000 -0.0811326), wk = 0.0030211 k( 182) = ( 0.0869277 0.0000000 -0.0869277), wk = 0.0030211 k( 183) = ( 0.0927229 0.0000000 -0.0927229), wk = 0.0030211 k( 184) = ( 0.0985181 0.0000000 -0.0985181), wk = 0.0030211 k( 185) = ( 0.1043133 0.0000000 -0.1043133), wk = 0.0030211 k( 186) = ( 0.1101085 0.0000000 -0.1101085), wk = 0.0030211 k( 187) = ( 0.1159037 0.0000000 -0.1159037), wk = 0.0030211 k( 188) = ( 0.1216989 0.0000000 -0.1216989), wk = 0.0030211 k( 189) = ( 0.1274940 0.0000000 -0.1274940), wk = 0.0030211 k( 190) = ( 0.1332892 -0.0000000 -0.1332892), wk = 0.0030211 k( 191) = ( 0.1390844 0.0000000 -0.1390844), wk = 0.0030211 k( 192) = ( 0.1448796 0.0000000 -0.1448796), wk = 0.0030211 k( 193) = ( 0.1506748 0.0000000 -0.1506748), wk = 0.0030211 k( 194) = ( 0.1564700 -0.0000000 -0.1564700), wk = 0.0030211 k( 195) = ( 0.1622651 0.0000000 -0.1622651), wk = 0.0030211 k( 196) = ( 0.1680603 0.0000000 -0.1680603), wk = 0.0030211 k( 197) = ( 0.1738555 0.0000000 -0.1738555), wk = 0.0030211 k( 198) = ( 0.1796507 -0.0000000 -0.1796507), wk = 0.0030211 k( 199) = ( 0.1854459 0.0000000 -0.1854459), wk = 0.0030211 k( 200) = ( 0.1912411 0.0000000 -0.1912411), wk = 0.0030211 k( 201) = ( 0.1970362 0.0000000 -0.1970362), wk = 0.0030211 k( 202) = ( 0.2028314 -0.0000000 -0.2028314), wk = 0.0030211 k( 203) = ( 0.2086266 -0.0000000 -0.2086266), wk = 0.0030211 k( 204) = ( 0.2144218 -0.0000000 -0.2144218), wk = 0.0030211 k( 205) = ( 0.2202170 0.0000000 -0.2202170), wk = 0.0030211 k( 206) = ( 0.2260122 0.0000000 -0.2260122), wk = 0.0030211 k( 207) = ( 0.2318073 0.0000000 -0.2318073), wk = 0.0030211 k( 208) = ( 0.2376025 0.0000000 -0.2376025), wk = 0.0030211 k( 209) = ( 0.2433977 0.0000000 -0.2433977), wk = 0.0030211 k( 210) = ( 0.2491929 0.0000000 -0.2491929), wk = 0.0030211 k( 211) = ( 0.2549881 0.0000000 -0.2549881), wk = 0.0030211 k( 212) = ( 0.2607833 0.0000000 -0.2607833), wk = 0.0030211 k( 213) = ( 0.2665785 -0.0000000 -0.2665784), wk = 0.0030211 k( 214) = ( 0.2723736 0.0000000 -0.2723736), wk = 0.0030211 k( 215) = ( 0.2781688 0.0000000 -0.2781688), wk = 0.0030211 k( 216) = ( 0.2839640 0.0000000 -0.2839640), wk = 0.0030211 k( 217) = ( 0.2897592 0.0000000 -0.2897592), wk = 0.0030211 k( 218) = ( 0.2955544 0.0000000 -0.2955544), wk = 0.0030211 k( 219) = ( 0.3013496 -0.0000000 -0.3013495), wk = 0.0030211 k( 220) = ( 0.3071447 0.0000000 -0.3071447), wk = 0.0030211 k( 221) = ( 0.3129399 -0.0000000 -0.3129399), wk = 0.0030211 k( 222) = ( 0.3187351 0.0000000 -0.3187351), wk = 0.0030211 k( 223) = ( 0.3245303 0.0000000 -0.3245303), wk = 0.0030211 k( 224) = ( 0.3303255 0.0000000 -0.3303255), wk = 0.0030211 k( 225) = ( 0.3361207 0.0000000 -0.3361206), wk = 0.0030211 k( 226) = ( 0.3419158 -0.0000000 -0.3419158), wk = 0.0030211 k( 227) = ( 0.6580842 0.3419158 -0.0000000), wk = 0.0030211 k( 228) = ( 0.6524383 0.3475617 0.0000000), wk = 0.0030211 k( 229) = ( 0.6467924 0.3532076 0.0000000), wk = 0.0030211 k( 230) = ( 0.6411466 0.3588534 0.0000000), wk = 0.0030211 k( 231) = ( 0.6355007 0.3644993 0.0000000), wk = 0.0030211 k( 232) = ( 0.6298548 0.3701452 0.0000000), wk = 0.0030211 k( 233) = ( 0.6242090 0.3757910 -0.0000000), wk = 0.0030211 k( 234) = ( 0.6185631 0.3814369 -0.0000000), wk = 0.0030211 k( 235) = ( 0.6129173 0.3870827 -0.0000000), wk = 0.0030211 k( 236) = ( 0.6072714 0.3927286 0.0000000), wk = 0.0030211 k( 237) = ( 0.6016255 0.3983745 -0.0000000), wk = 0.0030211 k( 238) = ( 0.5959797 0.4040203 -0.0000000), wk = 0.0030211 k( 239) = ( 0.5903338 0.4096662 -0.0000000), wk = 0.0030211 k( 240) = ( 0.5846879 0.4153121 0.0000000), wk = 0.0030211 k( 241) = ( 0.5790421 0.4209579 0.0000000), wk = 0.0030211 k( 242) = ( 0.5733962 0.4266038 0.0000000), wk = 0.0030211 k( 243) = ( 0.5677504 0.4322496 0.0000000), wk = 0.0030211 k( 244) = ( 0.5621045 0.4378955 0.0000000), wk = 0.0030211 k( 245) = ( 0.5564586 0.4435414 0.0000000), wk = 0.0030211 k( 246) = ( 0.5508128 0.4491872 0.0000000), wk = 0.0030211 k( 247) = ( 0.5451669 0.4548331 0.0000000), wk = 0.0030211 k( 248) = ( 0.5395210 0.4604790 -0.0000000), wk = 0.0030211 k( 249) = ( 0.5338752 0.4661248 -0.0000000), wk = 0.0030211 k( 250) = ( 0.5282293 0.4717707 -0.0000000), wk = 0.0030211 k( 251) = ( 0.5225834 0.4774165 0.0000000), wk = 0.0030211 k( 252) = ( 0.5169376 0.4830624 0.0000000), wk = 0.0030211 k( 253) = ( 0.5112917 0.4887083 -0.0000000), wk = 0.0030211 k( 254) = ( 0.5056459 0.4943541 0.0000000), wk = 0.0030211 k( 255) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 256) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030211 k( 257) = ( 0.5175649 0.5175649 0.0204257), wk = 0.0030211 k( 258) = ( 0.5351298 0.5351298 0.0408515), wk = 0.0030211 k( 259) = ( 0.5526947 0.5526947 0.0612772), wk = 0.0030211 k( 260) = ( 0.5702596 0.5702596 0.0817030), wk = 0.0030211 k( 261) = ( 0.5878245 0.5878245 0.1021287), wk = 0.0030211 k( 262) = ( 0.6053894 0.6053895 0.1225544), wk = 0.0030211 k( 263) = ( 0.6229543 0.6229544 0.1429802), wk = 0.0030211 k( 264) = ( 0.6405193 0.6405193 0.1634059), wk = 0.0030211 k( 265) = ( 0.6580842 0.6580842 0.1838317), wk = 0.0030211 k( 266) = ( 0.6580842 0.6580842 0.1838317), wk = 0.0030211 k( 267) = ( 0.6547207 0.6547207 0.1905587), wk = 0.0030211 k( 268) = ( 0.6513572 0.6513572 0.1972856), wk = 0.0030211 k( 269) = ( 0.6479937 0.6479937 0.2040126), wk = 0.0030211 k( 270) = ( 0.6446302 0.6446302 0.2107396), wk = 0.0030211 k( 271) = ( 0.6412667 0.6412667 0.2174666), wk = 0.0030211 k( 272) = ( 0.6379032 0.6379032 0.2241936), wk = 0.0030211 k( 273) = ( 0.6345397 0.6345397 0.2309206), wk = 0.0030211 k( 274) = ( 0.6311762 0.6311762 0.2376476), wk = 0.0030211 k( 275) = ( 0.6278127 0.6278127 0.2443745), wk = 0.0030211 k( 276) = ( 0.6244492 0.6244492 0.2511015), wk = 0.0030211 k( 277) = ( 0.6210857 0.6210857 0.2578285), wk = 0.0030211 k( 278) = ( 0.6177223 0.6177223 0.2645555), wk = 0.0030211 k( 279) = ( 0.6143588 0.6143588 0.2712825), wk = 0.0030211 k( 280) = ( 0.6109953 0.6109953 0.2780095), wk = 0.0030211 k( 281) = ( 0.6076318 0.6076318 0.2847365), wk = 0.0030211 k( 282) = ( 0.6042683 0.6042683 0.2914634), wk = 0.0030211 k( 283) = ( 0.6009048 0.6009048 0.2981904), wk = 0.0030211 k( 284) = ( 0.5975413 0.5975413 0.3049174), wk = 0.0030211 k( 285) = ( 0.5941778 0.5941778 0.3116444), wk = 0.0030211 k( 286) = ( 0.5908143 0.5908143 0.3183714), wk = 0.0030211 k( 287) = ( 0.5874508 0.5874508 0.3250984), wk = 0.0030211 k( 288) = ( 0.5840873 0.5840873 0.3318254), wk = 0.0030211 k( 289) = ( 0.5807238 0.5807238 0.3385523), wk = 0.0030211 k( 290) = ( 0.5773603 0.5773603 0.3452793), wk = 0.0030211 k( 291) = ( 0.5739968 0.5739968 0.3520063), wk = 0.0030211 k( 292) = ( 0.5706334 0.5706334 0.3587333), wk = 0.0030211 k( 293) = ( 0.5672699 0.5672699 0.3654603), wk = 0.0030211 k( 294) = ( 0.5639064 0.5639064 0.3721873), wk = 0.0030211 k( 295) = ( 0.5605429 0.5605429 0.3789143), wk = 0.0030211 k( 296) = ( 0.5571794 0.5571794 0.3856412), wk = 0.0030211 k( 297) = ( 0.5538159 0.5538159 0.3923682), wk = 0.0030211 k( 298) = ( 0.5504524 0.5504524 0.3990952), wk = 0.0030211 k( 299) = ( 0.5470889 0.5470889 0.4058222), wk = 0.0030211 k( 300) = ( 0.5437254 0.5437254 0.4125492), wk = 0.0030211 k( 301) = ( 0.5403619 0.5403619 0.4192762), wk = 0.0030211 k( 302) = ( 0.5369984 0.5369984 0.4260032), wk = 0.0030211 k( 303) = ( 0.5336349 0.5336349 0.4327301), wk = 0.0030211 k( 304) = ( 0.5302714 0.5302714 0.4394571), wk = 0.0030211 k( 305) = ( 0.5269079 0.5269079 0.4461841), wk = 0.0030211 k( 306) = ( 0.5235445 0.5235445 0.4529111), wk = 0.0030211 k( 307) = ( 0.5201810 0.5201810 0.4596381), wk = 0.0030211 k( 308) = ( 0.5168175 0.5168175 0.4663651), wk = 0.0030211 k( 309) = ( 0.5134540 0.5134540 0.4730921), wk = 0.0030211 k( 310) = ( 0.5100905 0.5100905 0.4798190), wk = 0.0030211 k( 311) = ( 0.5067270 0.5067270 0.4865460), wk = 0.0030211 k( 312) = ( 0.5033635 0.5033635 0.4932730), wk = 0.0030211 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 314) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030211 k( 315) = ( 0.5185981 0.0201127 0.0201127), wk = 0.0030211 k( 316) = ( 0.5371963 0.0402254 0.0402254), wk = 0.0030211 k( 317) = ( 0.5557944 0.0603381 0.0603381), wk = 0.0030211 k( 318) = ( 0.5743926 0.0804508 0.0804508), wk = 0.0030211 k( 319) = ( 0.5929907 0.1005635 0.1005635), wk = 0.0030211 k( 320) = ( 0.6115888 0.1206762 0.1206762), wk = 0.0030211 k( 321) = ( 0.6301870 0.1407889 0.1407889), wk = 0.0030211 k( 322) = ( 0.6487851 0.1609016 0.1609016), wk = 0.0030211 k( 323) = ( 0.6673832 0.1810143 0.1810143), wk = 0.0030211 k( 324) = ( 0.6859814 0.2011270 0.2011270), wk = 0.0030211 k( 325) = ( 0.7045795 0.2212397 0.2212397), wk = 0.0030211 k( 326) = ( 0.7231777 0.2413524 0.2413523), wk = 0.0030211 k( 327) = ( 0.7417758 0.2614650 0.2614651), wk = 0.0030211 k( 328) = ( 0.7603739 0.2815777 0.2815777), wk = 0.0030211 k( 329) = ( 0.7789721 0.3016904 0.3016904), wk = 0.0030211 k( 330) = ( 0.7975702 0.3218031 0.3218031), wk = 0.0030211 k( 331) = ( 0.8161683 0.3419158 0.3419158), wk = 0.0030211 Dense grid: 73065 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 514, 32) NL pseudopotentials 0.41 Mb ( 257, 104) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2029) G-vector shells 0.01 Mb ( 1654) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.00 Mb ( 514, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.10 Mb ( 104, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li4NCl.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.2 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.5 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.8 secs Computing kpt #: 13 total cpu time spent up to now is 16.9 secs Computing kpt #: 14 total cpu time spent up to now is 17.9 secs Computing kpt #: 15 total cpu time spent up to now is 18.8 secs Computing kpt #: 16 total cpu time spent up to now is 19.8 secs Computing kpt #: 17 total cpu time spent up to now is 20.7 secs Computing kpt #: 18 total cpu time spent up to now is 21.6 secs Computing kpt #: 19 total cpu time spent up to now is 22.5 secs Computing kpt #: 20 total cpu time spent up to now is 23.4 secs Computing kpt #: 21 total cpu time spent up to now is 24.2 secs Computing kpt #: 22 total cpu time spent up to now is 25.1 secs Computing kpt #: 23 total cpu time spent up to now is 26.0 secs Computing kpt #: 24 total cpu time spent up to now is 26.9 secs Computing kpt #: 25 total cpu time spent up to now is 27.8 secs Computing kpt #: 26 total cpu time spent up to now is 28.7 secs Computing kpt #: 27 total cpu time spent up to now is 29.6 secs Computing kpt #: 28 total cpu time spent up to now is 30.6 secs Computing kpt #: 29 total cpu time spent up to now is 31.5 secs Computing kpt #: 30 total cpu time spent up to now is 32.4 secs Computing kpt #: 31 total cpu time spent up to now is 33.3 secs Computing kpt #: 32 total cpu time spent up to now is 34.2 secs Computing kpt #: 33 total cpu time spent up to now is 35.1 secs Computing kpt #: 34 total cpu time spent up to now is 36.0 secs Computing kpt #: 35 total cpu time spent up to now is 36.9 secs Computing kpt #: 36 total cpu time spent up to now is 37.8 secs Computing kpt #: 37 total cpu time spent up to now is 38.7 secs Computing kpt #: 38 total cpu time spent up to now is 39.7 secs Computing kpt #: 39 total cpu time spent up to now is 40.6 secs Computing kpt #: 40 total cpu time spent up to now is 41.6 secs Computing kpt #: 41 total cpu time spent up to now is 42.5 secs Computing kpt #: 42 total cpu time spent up to now is 43.4 secs Computing kpt #: 43 total cpu time spent up to now is 44.3 secs Computing kpt #: 44 total cpu time spent up to now is 45.3 secs Computing kpt #: 45 total cpu time spent up to now is 46.2 secs Computing kpt #: 46 total cpu time spent up to now is 47.2 secs Computing kpt #: 47 total cpu time spent up to now is 48.1 secs Computing kpt #: 48 total cpu time spent up to now is 49.0 secs Computing kpt #: 49 total cpu time spent up to now is 50.0 secs Computing kpt #: 50 total cpu time spent up to now is 51.0 secs Computing kpt #: 51 total cpu time spent up to now is 51.9 secs Computing kpt #: 52 total cpu time spent up to now is 52.9 secs Computing kpt #: 53 total cpu time spent up to now is 53.8 secs Computing kpt #: 54 total cpu time spent up to now is 54.8 secs Computing kpt #: 55 total cpu time spent up to now is 55.7 secs Computing kpt #: 56 total cpu time spent up to now is 56.7 secs Computing kpt #: 57 total cpu time spent up to now is 57.6 secs Computing kpt #: 58 total cpu time spent up to now is 58.6 secs Computing kpt #: 59 total cpu time spent up to now is 59.6 secs Computing kpt #: 60 total cpu time spent up to now is 60.5 secs Computing kpt #: 61 total cpu time spent up to now is 61.5 secs Computing kpt #: 62 total cpu time spent up to now is 62.4 secs Computing kpt #: 63 total cpu time spent up to now is 63.4 secs Computing kpt #: 64 total cpu time spent up to now is 64.4 secs Computing kpt #: 65 total cpu time spent up to now is 65.3 secs Computing kpt #: 66 total cpu time spent up to now is 66.3 secs Computing kpt #: 67 total cpu time spent up to now is 67.2 secs Computing kpt #: 68 total cpu time spent up to now is 68.2 secs Computing kpt #: 69 total cpu time spent up to now is 69.1 secs Computing kpt #: 70 total cpu time spent up to now is 70.0 secs Computing kpt #: 71 total cpu time spent up to now is 71.0 secs Computing kpt #: 72 total cpu time spent up to now is 72.1 secs Computing kpt #: 73 total cpu time spent up to now is 73.2 secs Computing kpt #: 74 total cpu time spent up to now is 74.3 secs Computing kpt #: 75 total cpu time spent up to now is 75.4 secs Computing kpt #: 76 total cpu time spent up to now is 76.5 secs Computing kpt #: 77 total cpu time spent up to now is 77.5 secs Computing kpt #: 78 total cpu time spent up to now is 78.6 secs Computing kpt #: 79 total cpu time spent up to now is 79.6 secs Computing kpt #: 80 total cpu time spent up to now is 80.5 secs Computing kpt #: 81 total cpu time spent up to now is 81.4 secs Computing kpt #: 82 total cpu time spent up to now is 82.4 secs Computing kpt #: 83 total cpu time spent up to now is 83.3 secs Computing kpt #: 84 total cpu time spent up to now is 84.2 secs Computing kpt #: 85 total cpu time spent up to now is 85.1 secs Computing kpt #: 86 total cpu time spent up to now is 86.0 secs Computing kpt #: 87 total cpu time spent up to now is 86.9 secs Computing kpt #: 88 total cpu time spent up to now is 87.8 secs Computing kpt #: 89 total cpu time spent up to now is 88.7 secs Computing kpt #: 90 total cpu time spent up to now is 89.6 secs Computing kpt #: 91 total cpu time spent up to now is 90.5 secs Computing kpt #: 92 total cpu time spent up to now is 91.5 secs Computing kpt #: 93 total cpu time spent up to now is 92.4 secs Computing kpt #: 94 total cpu time spent up to now is 93.3 secs Computing kpt #: 95 total cpu time spent up to now is 94.2 secs Computing kpt #: 96 total cpu time spent up to now is 95.2 secs Computing kpt #: 97 total cpu time spent up to now is 96.1 secs Computing kpt #: 98 total cpu time spent up to now is 97.0 secs Computing kpt #: 99 total cpu time spent up to now is 97.9 secs Computing kpt #: 100 total cpu time spent up to now is 98.9 secs Computing kpt #: 101 total cpu time spent up to now is 99.8 secs Computing kpt #: 102 total cpu time spent up to now is 100.7 secs Computing kpt #: 103 total cpu time spent up to now is 101.6 secs Computing kpt #: 104 total cpu time spent up to now is 102.6 secs Computing kpt #: 105 total cpu time spent up to now is 103.7 secs Computing kpt #: 106 total cpu time spent up to now is 104.6 secs Computing kpt #: 107 total cpu time spent up to now is 105.6 secs Computing kpt #: 108 total cpu time spent up to now is 106.5 secs Computing kpt #: 109 total cpu time spent up to now is 107.5 secs Computing kpt #: 110 total cpu time spent up to now is 108.4 secs Computing kpt #: 111 total cpu time spent up to now is 109.3 secs Computing kpt #: 112 total cpu time spent up to now is 110.2 secs Computing kpt #: 113 total cpu time spent up to now is 111.1 secs Computing kpt #: 114 total cpu time spent up to now is 112.0 secs Computing kpt #: 115 total cpu time spent up to now is 112.9 secs Computing kpt #: 116 total cpu time spent up to now is 113.8 secs Computing kpt #: 117 total cpu time spent up to now is 114.7 secs Computing kpt #: 118 total cpu time spent up to now is 115.6 secs Computing kpt #: 119 total cpu time spent up to now is 116.5 secs Computing kpt #: 120 total cpu time spent up to now is 117.3 secs Computing kpt #: 121 total cpu time spent up to now is 118.2 secs Computing kpt #: 122 total cpu time spent up to now is 119.1 secs Computing kpt #: 123 total cpu time spent up to now is 120.0 secs Computing kpt #: 124 total cpu time spent up to now is 120.9 secs Computing kpt #: 125 total cpu time spent up to now is 121.7 secs Computing kpt #: 126 total cpu time spent up to now is 122.6 secs Computing kpt #: 127 total cpu time spent up to now is 123.7 secs Computing kpt #: 128 total cpu time spent up to now is 124.8 secs Computing kpt #: 129 total cpu time spent up to now is 125.8 secs Computing kpt #: 130 total cpu time spent up to now is 126.9 secs Computing kpt #: 131 total cpu time spent up to now is 128.0 secs Computing kpt #: 132 total cpu time spent up to now is 129.0 secs Computing kpt #: 133 total cpu time spent up to now is 130.1 secs Computing kpt #: 134 total cpu time spent up to now is 131.2 secs Computing kpt #: 135 total cpu time spent up to now is 132.3 secs Computing kpt #: 136 total cpu time spent up to now is 133.4 secs Computing kpt #: 137 total cpu time spent up to now is 134.6 secs Computing kpt #: 138 total cpu time spent up to now is 136.0 secs Computing kpt #: 139 total cpu time spent up to now is 137.3 secs Computing kpt #: 140 total cpu time spent up to now is 138.7 secs Computing kpt #: 141 total cpu time spent up to now is 139.8 secs Computing kpt #: 142 total cpu time spent up to now is 140.8 secs Computing kpt #: 143 total cpu time spent up to now is 141.8 secs Computing kpt #: 144 total cpu time spent up to now is 142.8 secs Computing kpt #: 145 total cpu time spent up to now is 143.8 secs Computing kpt #: 146 total cpu time spent up to now is 144.7 secs Computing kpt #: 147 total cpu time spent up to now is 145.7 secs Computing kpt #: 148 total cpu time spent up to now is 146.7 secs Computing kpt #: 149 total cpu time spent up to now is 147.8 secs Computing kpt #: 150 total cpu time spent up to now is 148.8 secs Computing kpt #: 151 total cpu time spent up to now is 149.7 secs Computing kpt #: 152 total cpu time spent up to now is 150.5 secs Computing kpt #: 153 total cpu time spent up to now is 151.4 secs Computing kpt #: 154 total cpu time spent up to now is 152.4 secs Computing kpt #: 155 total cpu time spent up to now is 153.5 secs Computing kpt #: 156 total cpu time spent up to now is 154.3 secs Computing kpt #: 157 total cpu time spent up to now is 155.3 secs Computing kpt #: 158 total cpu time spent up to now is 156.2 secs Computing kpt #: 159 total cpu time spent up to now is 157.2 secs Computing kpt #: 160 total cpu time spent up to now is 158.2 secs Computing kpt #: 161 total cpu time spent up to now is 159.2 secs Computing kpt #: 162 total cpu time spent up to now is 160.1 secs Computing kpt #: 163 total cpu time spent up to now is 160.9 secs Computing kpt #: 164 total cpu time spent up to now is 161.9 secs Computing kpt #: 165 total cpu time spent up to now is 162.8 secs Computing kpt #: 166 total cpu time spent up to now is 163.6 secs Computing kpt #: 167 total cpu time spent up to now is 164.4 secs Computing kpt #: 168 total cpu time spent up to now is 165.5 secs Computing kpt #: 169 total cpu time spent up to now is 166.6 secs Computing kpt #: 170 total cpu time spent up to now is 167.9 secs Computing kpt #: 171 total cpu time spent up to now is 169.0 secs Computing kpt #: 172 total cpu time spent up to now is 170.1 secs Computing kpt #: 173 total cpu time spent up to now is 171.2 secs Computing kpt #: 174 total cpu time spent up to now is 172.3 secs Computing kpt #: 175 total cpu time spent up to now is 173.4 secs Computing kpt #: 176 total cpu time spent up to now is 174.4 secs Computing kpt #: 177 total cpu time spent up to now is 175.5 secs Computing kpt #: 178 total cpu time spent up to now is 176.6 secs Computing kpt #: 179 total cpu time spent up to now is 177.5 secs Computing kpt #: 180 total cpu time spent up to now is 178.4 secs Computing kpt #: 181 total cpu time spent up to now is 179.3 secs Computing kpt #: 182 total cpu time spent up to now is 180.3 secs Computing kpt #: 183 total cpu time spent up to now is 181.1 secs Computing kpt #: 184 total cpu time spent up to now is 182.0 secs Computing kpt #: 185 total cpu time spent up to now is 182.9 secs Computing kpt #: 186 total cpu time spent up to now is 183.8 secs Computing kpt #: 187 total cpu time spent up to now is 184.7 secs Computing kpt #: 188 total cpu time spent up to now is 185.6 secs Computing kpt #: 189 total cpu time spent up to now is 186.5 secs Computing kpt #: 190 total cpu time spent up to now is 187.4 secs Computing kpt #: 191 total cpu time spent up to now is 188.3 secs Computing kpt #: 192 total cpu time spent up to now is 189.2 secs Computing kpt #: 193 total cpu time spent up to now is 190.1 secs Computing kpt #: 194 total cpu time spent up to now is 191.0 secs Computing kpt #: 195 total cpu time spent up to now is 191.9 secs Computing kpt #: 196 total cpu time spent up to now is 192.8 secs Computing kpt #: 197 total cpu time spent up to now is 193.8 secs Computing kpt #: 198 total cpu time spent up to now is 194.7 secs Computing kpt #: 199 total cpu time spent up to now is 195.7 secs Computing kpt #: 200 total cpu time spent up to now is 196.6 secs Computing kpt #: 201 total cpu time spent up to now is 197.8 secs Computing kpt #: 202 total cpu time spent up to now is 198.7 secs Computing kpt #: 203 total cpu time spent up to now is 199.7 secs Computing kpt #: 204 total cpu time spent up to now is 200.6 secs Computing kpt #: 205 total cpu time spent up to now is 201.6 secs Computing kpt #: 206 total cpu time spent up to now is 202.6 secs Computing kpt #: 207 total cpu time spent up to now is 203.5 secs Computing kpt #: 208 total cpu time spent up to now is 204.5 secs Computing kpt #: 209 total cpu time spent up to now is 205.4 secs Computing kpt #: 210 total cpu time spent up to now is 206.3 secs Computing kpt #: 211 total cpu time spent up to now is 207.3 secs Computing kpt #: 212 total cpu time spent up to now is 208.2 secs Computing kpt #: 213 total cpu time spent up to now is 209.3 secs Computing kpt #: 214 total cpu time spent up to now is 210.4 secs Computing kpt #: 215 total cpu time spent up to now is 211.5 secs Computing kpt #: 216 total cpu time spent up to now is 212.6 secs Computing kpt #: 217 total cpu time spent up to now is 213.7 secs Computing kpt #: 218 total cpu time spent up to now is 214.8 secs Computing kpt #: 219 total cpu time spent up to now is 215.9 secs Computing kpt #: 220 total cpu time spent up to now is 217.1 secs Computing kpt #: 221 total cpu time spent up to now is 218.4 secs Computing kpt #: 222 total cpu time spent up to now is 219.5 secs Computing kpt #: 223 total cpu time spent up to now is 220.6 secs Computing kpt #: 224 total cpu time spent up to now is 221.7 secs Computing kpt #: 225 total cpu time spent up to now is 222.8 secs Computing kpt #: 226 total cpu time spent up to now is 223.7 secs Computing kpt #: 227 total cpu time spent up to now is 224.6 secs Computing kpt #: 228 total cpu time spent up to now is 225.5 secs Computing kpt #: 229 total cpu time spent up to now is 226.4 secs Computing kpt #: 230 total cpu time spent up to now is 227.3 secs Computing kpt #: 231 total cpu time spent up to now is 228.3 secs Computing kpt #: 232 total cpu time spent up to now is 229.1 secs Computing kpt #: 233 total cpu time spent up to now is 230.0 secs Computing kpt #: 234 total cpu time spent up to now is 231.0 secs Computing kpt #: 235 total cpu time spent up to now is 231.9 secs Computing kpt #: 236 total cpu time spent up to now is 232.9 secs Computing kpt #: 237 total cpu time spent up to now is 233.8 secs Computing kpt #: 238 total cpu time spent up to now is 234.7 secs Computing kpt #: 239 total cpu time spent up to now is 235.7 secs Computing kpt #: 240 total cpu time spent up to now is 236.6 secs Computing kpt #: 241 total cpu time spent up to now is 237.5 secs Computing kpt #: 242 total cpu time spent up to now is 238.4 secs Computing kpt #: 243 total cpu time spent up to now is 239.4 secs Computing kpt #: 244 total cpu time spent up to now is 240.3 secs Computing kpt #: 245 total cpu time spent up to now is 241.2 secs Computing kpt #: 246 total cpu time spent up to now is 242.1 secs Computing kpt #: 247 total cpu time spent up to now is 243.0 secs Computing kpt #: 248 total cpu time spent up to now is 243.9 secs Computing kpt #: 249 total cpu time spent up to now is 244.8 secs Computing kpt #: 250 total cpu time spent up to now is 245.7 secs Computing kpt #: 251 total cpu time spent up to now is 246.6 secs Computing kpt #: 252 total cpu time spent up to now is 247.6 secs Computing kpt #: 253 total cpu time spent up to now is 248.5 secs Computing kpt #: 254 total cpu time spent up to now is 249.4 secs Computing kpt #: 255 total cpu time spent up to now is 250.2 secs Computing kpt #: 256 total cpu time spent up to now is 251.1 secs Computing kpt #: 257 total cpu time spent up to now is 251.9 secs Computing kpt #: 258 total cpu time spent up to now is 252.8 secs Computing kpt #: 259 total cpu time spent up to now is 253.7 secs Computing kpt #: 260 total cpu time spent up to now is 254.6 secs Computing kpt #: 261 total cpu time spent up to now is 255.5 secs Computing kpt #: 262 total cpu time spent up to now is 256.3 secs Computing kpt #: 263 total cpu time spent up to now is 257.2 secs Computing kpt #: 264 total cpu time spent up to now is 258.1 secs Computing kpt #: 265 total cpu time spent up to now is 258.9 secs Computing kpt #: 266 total cpu time spent up to now is 259.8 secs Computing kpt #: 267 total cpu time spent up to now is 260.7 secs Computing kpt #: 268 total cpu time spent up to now is 261.5 secs Computing kpt #: 269 total cpu time spent up to now is 262.4 secs Computing kpt #: 270 total cpu time spent up to now is 263.3 secs Computing kpt #: 271 total cpu time spent up to now is 264.1 secs Computing kpt #: 272 total cpu time spent up to now is 265.0 secs Computing kpt #: 273 total cpu time spent up to now is 265.9 secs Computing kpt #: 274 total cpu time spent up to now is 266.8 secs Computing kpt #: 275 total cpu time spent up to now is 267.7 secs Computing kpt #: 276 total cpu time spent up to now is 268.6 secs Computing kpt #: 277 total cpu time spent up to now is 269.5 secs Computing kpt #: 278 total cpu time spent up to now is 270.4 secs Computing kpt #: 279 total cpu time spent up to now is 271.3 secs Computing kpt #: 280 total cpu time spent up to now is 272.1 secs Computing kpt #: 281 total cpu time spent up to now is 273.0 secs Computing kpt #: 282 total cpu time spent up to now is 273.9 secs Computing kpt #: 283 total cpu time spent up to now is 274.8 secs Computing kpt #: 284 total cpu time spent up to now is 275.7 secs Computing kpt #: 285 total cpu time spent up to now is 276.6 secs Computing kpt #: 286 total cpu time spent up to now is 277.5 secs Computing kpt #: 287 total cpu time spent up to now is 278.4 secs Computing kpt #: 288 total cpu time spent up to now is 279.3 secs Computing kpt #: 289 total cpu time spent up to now is 280.1 secs Computing kpt #: 290 total cpu time spent up to now is 281.0 secs Computing kpt #: 291 total cpu time spent up to now is 281.9 secs Computing kpt #: 292 total cpu time spent up to now is 282.8 secs Computing kpt #: 293 total cpu time spent up to now is 283.6 secs Computing kpt #: 294 total cpu time spent up to now is 284.5 secs Computing kpt #: 295 total cpu time spent up to now is 285.4 secs Computing kpt #: 296 total cpu time spent up to now is 286.3 secs Computing kpt #: 297 total cpu time spent up to now is 287.1 secs Computing kpt #: 298 total cpu time spent up to now is 288.0 secs Computing kpt #: 299 total cpu time spent up to now is 288.9 secs Computing kpt #: 300 total cpu time spent up to now is 289.8 secs Computing kpt #: 301 total cpu time spent up to now is 290.8 secs Computing kpt #: 302 total cpu time spent up to now is 291.9 secs Computing kpt #: 303 total cpu time spent up to now is 292.9 secs Computing kpt #: 304 total cpu time spent up to now is 294.0 secs Computing kpt #: 305 total cpu time spent up to now is 295.0 secs Computing kpt #: 306 total cpu time spent up to now is 296.1 secs Computing kpt #: 307 total cpu time spent up to now is 297.2 secs Computing kpt #: 308 total cpu time spent up to now is 298.4 secs Computing kpt #: 309 total cpu time spent up to now is 299.6 secs Computing kpt #: 310 total cpu time spent up to now is 300.9 secs Computing kpt #: 311 total cpu time spent up to now is 302.3 secs Computing kpt #: 312 total cpu time spent up to now is 303.5 secs Computing kpt #: 313 total cpu time spent up to now is 304.5 secs Computing kpt #: 314 total cpu time spent up to now is 305.5 secs Computing kpt #: 315 total cpu time spent up to now is 306.4 secs Computing kpt #: 316 total cpu time spent up to now is 307.4 secs Computing kpt #: 317 total cpu time spent up to now is 308.4 secs Computing kpt #: 318 total cpu time spent up to now is 309.3 secs Computing kpt #: 319 total cpu time spent up to now is 310.2 secs Computing kpt #: 320 total cpu time spent up to now is 311.1 secs Computing kpt #: 321 total cpu time spent up to now is 312.0 secs Computing kpt #: 322 total cpu time spent up to now is 312.9 secs Computing kpt #: 323 total cpu time spent up to now is 313.8 secs Computing kpt #: 324 total cpu time spent up to now is 314.7 secs Computing kpt #: 325 total cpu time spent up to now is 315.6 secs Computing kpt #: 326 total cpu time spent up to now is 316.5 secs Computing kpt #: 327 total cpu time spent up to now is 317.3 secs Computing kpt #: 328 total cpu time spent up to now is 318.2 secs Computing kpt #: 329 total cpu time spent up to now is 319.1 secs Computing kpt #: 330 total cpu time spent up to now is 319.9 secs Computing kpt #: 331 total cpu time spent up to now is 320.8 secs ethr = 4.17E-08, avg # of iterations = 20.1 total cpu time spent up to now is 320.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9137 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6240 -7.6240 -1.9198 -1.9198 -0.3931 -0.3931 -0.3075 -0.3075 2.3183 2.3183 3.7964 3.7964 3.8064 3.8064 5.6812 5.6812 7.9358 7.9358 9.4182 9.4182 10.3380 10.3385 k = 0.0098-0.0165-0.0100 ( 9144 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6964 -40.6964 -40.4325 -40.4325 -13.2326 -13.2326 -7.6239 -7.6239 -1.9194 -1.9194 -0.3947 -0.3947 -0.3092 -0.3092 2.3187 2.3187 3.7941 3.7941 3.8043 3.8043 5.6849 5.6849 7.9388 7.9388 9.4141 9.4141 10.3383 10.3386 k = 0.0196-0.0330-0.0200 ( 9150 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6963 -40.6963 -40.4326 -40.4326 -13.2316 -13.2316 -7.6236 -7.6236 -1.9181 -1.9181 -0.3999 -0.3999 -0.3141 -0.3141 2.3200 2.3200 3.7862 3.7862 3.7991 3.7991 5.6962 5.6962 7.9478 7.9478 9.4021 9.4021 10.3387 10.3387 k = 0.0294-0.0496-0.0300 ( 9148 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6960 -40.6960 -40.4329 -40.4329 -13.2300 -13.2300 -7.6231 -7.6231 -1.9160 -1.9160 -0.4090 -0.4090 -0.3216 -0.3216 2.3221 2.3221 3.7716 3.7716 3.7923 3.7923 5.7146 5.7146 7.9629 7.9629 9.3825 9.3825 10.3389 10.3389 k = 0.0392-0.0661-0.0401 ( 9140 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6956 -40.6956 -40.4333 -40.4333 -13.2278 -13.2278 -7.6224 -7.6224 -1.9131 -1.9131 -0.4228 -0.4228 -0.3310 -0.3310 2.3251 2.3251 3.7506 3.7506 3.7838 3.7838 5.7399 5.7399 7.9837 7.9837 9.3558 9.3558 10.3387 10.3387 k = 0.0490-0.0826-0.0501 ( 9138 PWs) bands (ev): -41.7952 -41.7952 -41.7918 -41.7918 -40.6951 -40.6951 -40.4338 -40.4338 -13.2249 -13.2249 -7.6215 -7.6215 -1.9094 -1.9094 -0.4417 -0.4417 -0.3414 -0.3414 2.3289 2.3289 3.7239 3.7239 3.7735 3.7735 5.7717 5.7717 8.0103 8.0103 9.3228 9.3228 10.3376 10.3376 k = 0.0588-0.0991-0.0601 ( 9134 PWs) bands (ev): -41.7952 -41.7952 -41.7917 -41.7917 -40.6945 -40.6945 -40.4344 -40.4344 -13.2214 -13.2214 -7.6204 -7.6204 -1.9048 -1.9048 -0.4663 -0.4663 -0.3522 -0.3522 2.3335 2.3335 3.6921 3.6921 3.7611 3.7611 5.8093 5.8093 8.0425 8.0425 9.2842 9.2842 10.3354 10.3354 k = 0.0686-0.1156-0.0701 ( 9128 PWs) bands (ev): -41.7952 -41.7952 -41.7917 -41.7917 -40.6937 -40.6937 -40.4351 -40.4351 -13.2173 -13.2173 -7.6192 -7.6192 -1.8995 -1.8995 -0.4965 -0.4965 -0.3632 -0.3632 2.3390 2.3390 3.6558 3.6558 3.7467 3.7467 5.8521 5.8521 8.0799 8.0799 9.2407 9.2407 10.3316 10.3316 k = 0.0784-0.1321-0.0801 ( 9129 PWs) bands (ev): -41.7951 -41.7951 -41.7917 -41.7917 -40.6929 -40.6929 -40.4359 -40.4359 -13.2126 -13.2126 -7.6177 -7.6177 -1.8934 -1.8934 -0.5320 -0.5320 -0.3744 -0.3744 2.3454 2.3454 3.6155 3.6155 3.7305 3.7305 5.8997 5.8997 8.1224 8.1224 9.1933 9.1933 10.3262 10.3262 k = 0.0882-0.1487-0.0901 ( 9126 PWs) bands (ev): -41.7951 -41.7951 -41.7917 -41.7917 -40.6919 -40.6919 -40.4368 -40.4368 -13.2074 -13.2074 -7.6161 -7.6161 -1.8866 -1.8866 -0.5723 -0.5723 -0.3858 -0.3858 2.3526 2.3526 3.5718 3.5718 3.7125 3.7125 5.9514 5.9514 8.1696 8.1696 9.1424 9.1424 10.3189 10.3189 k = 0.0980-0.1652-0.1002 ( 9126 PWs) bands (ev): -41.7951 -41.7951 -41.7917 -41.7917 -40.6909 -40.6909 -40.4378 -40.4378 -13.2015 -13.2015 -7.6143 -7.6143 -1.8790 -1.8790 -0.6170 -0.6170 -0.3977 -0.3977 2.3606 2.3606 3.5250 3.5250 3.6927 3.6927 6.0067 6.0067 8.2210 8.2210 9.0889 9.0889 10.3098 10.3098 k = 0.1078-0.1817-0.1102 ( 9117 PWs) bands (ev): -41.7950 -41.7950 -41.7916 -41.7916 -40.6897 -40.6897 -40.4389 -40.4389 -13.1952 -13.1952 -7.6123 -7.6123 -1.8707 -1.8707 -0.6656 -0.6656 -0.4100 -0.4100 2.3694 2.3694 3.4756 3.4756 3.6714 3.6714 6.0650 6.0650 8.2763 8.2763 9.0334 9.0334 10.2990 10.2990 k = 0.1176-0.1982-0.1202 ( 9121 PWs) bands (ev): -41.7949 -41.7949 -41.7916 -41.7916 -40.6885 -40.6885 -40.4402 -40.4402 -13.1882 -13.1882 -7.6102 -7.6102 -1.8617 -1.8617 -0.7176 -0.7176 -0.4229 -0.4229 2.3791 2.3791 3.4240 3.4240 3.6486 3.6486 6.1258 6.1258 8.3347 8.3347 8.9767 8.9767 10.2866 10.2866 k = 0.1275-0.2147-0.1302 ( 9117 PWs) bands (ev): -41.7949 -41.7949 -41.7916 -41.7916 -40.6871 -40.6871 -40.4415 -40.4415 -13.1808 -13.1808 -7.6080 -7.6080 -1.8521 -1.8521 -0.7727 -0.7727 -0.4363 -0.4363 2.3895 2.3895 3.3707 3.3707 3.6245 3.6245 6.1885 6.1885 8.3952 8.3952 8.9195 8.9195 10.2729 10.2729 k = 0.1373-0.2313-0.1402 ( 9107 PWs) bands (ev): -41.7948 -41.7948 -41.7916 -41.7916 -40.6856 -40.6856 -40.4429 -40.4429 -13.1729 -13.1729 -7.6055 -7.6055 -1.8420 -1.8420 -0.8304 -0.8304 -0.4503 -0.4503 2.4008 2.4008 3.3160 3.3160 3.5993 3.5993 6.2529 6.2529 8.4564 8.4564 8.8633 8.8633 10.2581 10.2581 k = 0.1471-0.2478-0.1502 ( 9109 PWs) bands (ev): -41.7947 -41.7947 -41.7916 -41.7916 -40.6841 -40.6841 -40.4444 -40.4444 -13.1646 -13.1646 -7.6030 -7.6030 -1.8312 -1.8312 -0.8903 -0.8903 -0.4647 -0.4647 2.4127 2.4127 3.2601 3.2601 3.5729 3.5729 6.3184 6.3184 8.5150 8.5150 8.8109 8.8109 10.2425 10.2425 k = 0.1569-0.2643-0.1603 ( 9103 PWs) bands (ev): -41.7947 -41.7947 -41.7915 -41.7915 -40.6824 -40.6824 -40.4460 -40.4460 -13.1558 -13.1558 -7.6003 -7.6003 -1.8199 -1.8199 -0.9521 -0.9521 -0.4797 -0.4797 2.4254 2.4254 3.2035 3.2035 3.5457 3.5457 6.3846 6.3846 8.5625 8.5625 8.7705 8.7705 10.2265 10.2265 k = 0.1667-0.2808-0.1703 ( 9099 PWs) bands (ev): -41.7946 -41.7946 -41.7915 -41.7915 -40.6806 -40.6806 -40.4477 -40.4477 -13.1466 -13.1466 -7.5975 -7.5975 -1.8083 -1.8083 -1.0155 -1.0155 -0.4951 -0.4951 2.4387 2.4387 3.1464 3.1464 3.5177 3.5177 6.4512 6.4512 8.5780 8.5780 8.7622 8.7622 10.2105 10.2105 k = 0.1765-0.2973-0.1803 ( 9102 PWs) bands (ev): -41.7945 -41.7945 -41.7915 -41.7915 -40.6788 -40.6788 -40.4495 -40.4495 -13.1370 -13.1370 -7.5946 -7.5946 -1.7962 -1.7962 -1.0800 -1.0800 -0.5109 -0.5109 2.4525 2.4525 3.0891 3.0891 3.4890 3.4890 6.5179 6.5179 8.5513 8.5513 8.7953 8.7953 10.1946 10.1946 k = 0.1863-0.3138-0.1903 ( 9101 PWs) bands (ev): -41.7944 -41.7944 -41.7914 -41.7914 -40.6769 -40.6769 -40.4514 -40.4514 -13.1271 -13.1271 -7.5916 -7.5916 -1.7839 -1.7839 -1.1453 -1.1453 -0.5270 -0.5270 2.4668 2.4668 3.0320 3.0320 3.4598 3.4598 6.5843 6.5843 8.5036 8.5036 8.8481 8.8481 10.1790 10.1790 k = 0.1961-0.3304-0.2003 ( 9102 PWs) bands (ev): -41.7943 -41.7943 -41.7914 -41.7914 -40.6748 -40.6748 -40.4534 -40.4534 -13.1169 -13.1169 -7.5886 -7.5886 -1.7714 -1.7714 -1.2110 -1.2110 -0.5434 -0.5434 2.4813 2.4813 2.9755 2.9755 3.4303 3.4303 6.6500 6.6500 8.4487 8.4487 8.9054 8.9054 10.1637 10.1637 k = 0.2059-0.3469-0.2103 ( 9106 PWs) bands (ev): -41.7942 -41.7942 -41.7914 -41.7914 -40.6727 -40.6727 -40.4554 -40.4554 -13.1065 -13.1065 -7.5854 -7.5854 -1.7590 -1.7590 -1.2766 -1.2766 -0.5600 -0.5600 2.4958 2.4958 2.9199 2.9199 3.4005 3.4005 6.7148 6.7148 8.3915 8.3915 8.9613 8.9613 10.1482 10.1482 k = 0.2157-0.3634-0.2203 ( 9106 PWs) bands (ev): -41.7942 -41.7942 -41.7914 -41.7914 -40.6706 -40.6706 -40.4575 -40.4575 -13.0957 -13.0957 -7.5822 -7.5822 -1.7469 -1.7469 -1.3417 -1.3417 -0.5768 -0.5768 2.5098 2.5098 2.8658 2.8658 3.3705 3.3705 6.7784 6.7784 8.3336 8.3336 9.0130 9.0130 10.1317 10.1317 k = 0.2255-0.3799-0.2304 ( 9113 PWs) bands (ev): -41.7941 -41.7941 -41.7913 -41.7913 -40.6683 -40.6683 -40.4597 -40.4597 -13.0848 -13.0848 -7.5790 -7.5790 -1.7358 -1.7358 -1.4056 -1.4056 -0.5936 -0.5936 2.5224 2.5224 2.8144 2.8144 3.3406 3.3406 6.8405 6.8405 8.2760 8.2760 9.0588 9.0588 10.1131 10.1131 k = 0.2353-0.3964-0.2404 ( 9114 PWs) bands (ev): -41.7940 -41.7940 -41.7913 -41.7913 -40.6660 -40.6660 -40.4620 -40.4620 -13.0738 -13.0738 -7.5757 -7.5757 -1.7266 -1.7266 -1.4669 -1.4669 -0.6105 -0.6105 2.5320 2.5320 2.7673 2.7673 3.3108 3.3108 6.9007 6.9007 8.2189 8.2189 9.0975 9.0975 10.0908 10.0908 k = 0.2451-0.4130-0.2504 ( 9108 PWs) bands (ev): -41.7939 -41.7939 -41.7913 -41.7913 -40.6636 -40.6636 -40.4643 -40.4643 -13.0626 -13.0626 -7.5723 -7.5723 -1.7218 -1.7218 -1.5230 -1.5230 -0.6273 -0.6273 2.5352 2.5352 2.7280 2.7280 3.2812 3.2812 6.9588 6.9588 8.1628 8.1628 9.1284 9.1284 10.0637 10.0637 k = 0.2549-0.4295-0.2604 ( 9107 PWs) bands (ev): -41.7938 -41.7938 -41.7913 -41.7913 -40.6611 -40.6611 -40.4667 -40.4667 -13.0513 -13.0513 -7.5690 -7.5690 -1.7266 -1.7266 -1.5686 -1.5686 -0.6441 -0.6441 2.5271 2.5271 2.7016 2.7016 3.2519 3.2519 7.0145 7.0145 8.1080 8.1080 9.1515 9.1515 10.0310 10.0310 k = 0.2647-0.4460-0.2704 ( 9105 PWs) bands (ev): -41.7937 -41.7937 -41.7912 -41.7912 -40.6586 -40.6586 -40.4692 -40.4692 -13.0400 -13.0400 -7.5657 -7.5657 -1.7489 -1.7489 -1.5956 -1.5956 -0.6606 -0.6606 2.5044 2.5044 2.6914 2.6914 3.2230 3.2230 7.0674 7.0674 8.0544 8.0544 9.1672 9.1672 9.9929 9.9929 k = 0.2745-0.4625-0.2804 ( 9113 PWs) bands (ev): -41.7936 -41.7936 -41.7912 -41.7912 -40.6560 -40.6560 -40.4717 -40.4717 -13.0287 -13.0287 -7.5624 -7.5624 -1.7894 -1.7894 -1.6032 -1.6032 -0.6770 -0.6770 2.4701 2.4701 2.6944 2.6944 3.1947 3.1947 7.1172 7.1172 8.0024 8.0024 9.1759 9.1759 9.9504 9.9504 k = 0.2843-0.4790-0.2905 ( 9113 PWs) bands (ev): -41.7935 -41.7935 -41.7912 -41.7912 -40.6534 -40.6534 -40.4742 -40.4742 -13.0175 -13.0175 -7.5591 -7.5591 -1.8399 -1.8399 -1.5995 -1.5995 -0.6931 -0.6931 2.4295 2.4295 2.7054 2.7054 3.1669 3.1669 7.1637 7.1637 7.9521 7.9521 9.1786 9.1786 9.9052 9.9052 k = 0.2941-0.4955-0.3005 ( 9108 PWs) bands (ev): -41.7934 -41.7934 -41.7912 -41.7912 -40.6508 -40.6508 -40.4768 -40.4768 -13.0063 -13.0063 -7.5558 -7.5558 -1.8940 -1.8940 -1.5906 -1.5906 -0.7089 -0.7089 2.3864 2.3864 2.7206 2.7206 3.1398 3.1398 7.2063 7.2063 7.9036 7.9036 9.1761 9.1761 9.8589 9.8589 k = 0.3039-0.5121-0.3105 ( 9110 PWs) bands (ev): -41.7933 -41.7933 -41.7911 -41.7911 -40.6481 -40.6481 -40.4795 -40.4795 -12.9953 -12.9953 -7.5526 -7.5526 -1.9490 -1.9490 -1.5794 -1.5794 -0.7242 -0.7242 2.3427 2.3427 2.7382 2.7382 3.1136 3.1136 7.2450 7.2450 7.8570 7.8570 9.1691 9.1691 9.8134 9.8134 k = 0.3137-0.5286-0.3205 ( 9111 PWs) bands (ev): -41.7932 -41.7932 -41.7911 -41.7911 -40.6454 -40.6454 -40.4821 -40.4821 -12.9845 -12.9845 -7.5495 -7.5495 -2.0034 -2.0034 -1.5670 -1.5670 -0.7392 -0.7392 2.2994 2.2994 2.7572 2.7572 3.0881 3.0881 7.2793 7.2793 7.8125 7.8125 9.1582 9.1582 9.7703 9.7703 k = 0.3235-0.5451-0.3305 ( 9112 PWs) bands (ev): -41.7931 -41.7931 -41.7911 -41.7911 -40.6426 -40.6426 -40.4848 -40.4848 -12.9739 -12.9739 -7.5464 -7.5464 -2.0565 -2.0565 -1.5542 -1.5542 -0.7537 -0.7537 2.2571 2.2571 2.7769 2.7769 3.0636 3.0636 7.3091 7.3091 7.7701 7.7701 9.1440 9.1440 9.7310 9.7310 k = 0.3333-0.5616-0.3405 ( 9117 PWs) bands (ev): -41.7930 -41.7930 -41.7911 -41.7911 -40.6399 -40.6399 -40.4875 -40.4875 -12.9636 -12.9636 -7.5434 -7.5434 -2.1080 -2.1080 -1.5412 -1.5412 -0.7676 -0.7676 2.2162 2.2162 2.7969 2.7969 3.0400 3.0400 7.3342 7.3342 7.7299 7.7299 9.1269 9.1269 9.6968 9.6968 k = 0.3431-0.5781-0.3506 ( 9120 PWs) bands (ev): -41.7930 -41.7930 -41.7911 -41.7911 -40.6372 -40.6372 -40.4902 -40.4902 -12.9536 -12.9536 -7.5406 -7.5406 -2.1574 -2.1574 -1.5283 -1.5283 -0.7810 -0.7810 2.1769 2.1769 2.8171 2.8171 3.0175 3.0175 7.3544 7.3544 7.6922 7.6922 9.1073 9.1073 9.6686 9.6686 k = 0.3529-0.5947-0.3606 ( 9116 PWs) bands (ev): -41.7929 -41.7929 -41.7910 -41.7910 -40.6344 -40.6344 -40.4928 -40.4928 -12.9439 -12.9439 -7.5378 -7.5378 -2.2047 -2.2047 -1.5156 -1.5156 -0.7938 -0.7938 2.1393 2.1393 2.8372 2.8372 2.9961 2.9961 7.3698 7.3698 7.6569 7.6569 9.0858 9.0858 9.6468 9.6468 k = 0.3627-0.6112-0.3706 ( 9116 PWs) bands (ev): -41.7928 -41.7928 -41.7910 -41.7910 -40.6317 -40.6317 -40.4955 -40.4955 -12.9347 -12.9347 -7.5352 -7.5352 -2.2496 -2.2496 -1.5033 -1.5033 -0.8059 -0.8059 2.1037 2.1037 2.8570 2.8570 2.9759 2.9759 7.3805 7.3805 7.6241 7.6241 9.0629 9.0629 9.6318 9.6318 k = 0.3725-0.6277-0.3806 ( 9123 PWs) bands (ev): -41.7927 -41.7927 -41.7910 -41.7910 -40.6291 -40.6291 -40.4981 -40.4981 -12.9259 -12.9259 -7.5327 -7.5327 -2.2919 -2.2919 -1.4915 -1.4915 -0.8173 -0.8173 2.0701 2.0701 2.8762 2.8762 2.9569 2.9569 7.3867 7.3867 7.5939 7.5939 9.0390 9.0390 9.6234 9.6234 k = 0.3824-0.6442-0.3906 ( 9129 PWs) bands (ev): -41.7927 -41.7927 -41.7910 -41.7910 -40.6265 -40.6265 -40.5007 -40.5007 -12.9176 -12.9176 -7.5303 -7.5303 -2.3316 -2.3316 -1.4803 -1.4803 -0.8280 -0.8280 2.0387 2.0387 2.8947 2.8947 2.9392 2.9392 7.3890 7.3890 7.5662 7.5662 9.0150 9.0150 9.6213 9.6213 k = 0.3922-0.6607-0.4006 ( 9133 PWs) bands (ev): -41.7926 -41.7926 -41.7910 -41.7910 -40.6239 -40.6239 -40.5032 -40.5032 -12.9097 -12.9097 -7.5281 -7.5281 -2.3684 -2.3684 -1.4696 -1.4696 -0.8380 -0.8380 2.0095 2.0095 2.9115 2.9115 2.9237 2.9237 7.3877 7.3877 7.5409 7.5409 8.9912 8.9912 9.6250 9.6250 k = 0.4020-0.6772-0.4106 ( 9132 PWs) bands (ev): -41.7925 -41.7925 -41.7910 -41.7910 -40.6215 -40.6215 -40.5056 -40.5056 -12.9025 -12.9025 -7.5260 -7.5260 -2.4024 -2.4024 -1.4597 -1.4597 -0.8472 -0.8472 1.9826 1.9826 2.9064 2.9064 2.9306 2.9306 7.3837 7.3837 7.5180 7.5180 8.9683 8.9683 9.6336 9.6336 k = 0.4118-0.6938-0.4207 ( 9133 PWs) bands (ev): -41.7925 -41.7925 -41.7910 -41.7910 -40.6191 -40.6191 -40.5079 -40.5079 -12.8958 -12.8958 -7.5241 -7.5241 -2.4334 -2.4334 -1.4505 -1.4505 -0.8556 -0.8556 1.9581 1.9581 2.8929 2.8929 2.9460 2.9460 7.3778 7.3778 7.4971 7.4971 8.9467 8.9467 9.6465 9.6465 k = 0.4216-0.7103-0.4307 ( 9138 PWs) bands (ev): -41.7924 -41.7924 -41.7910 -41.7910 -40.6169 -40.6169 -40.5101 -40.5101 -12.8897 -12.8897 -7.5224 -7.5224 -2.4614 -2.4614 -1.4421 -1.4421 -0.8632 -0.8632 1.9360 1.9360 2.8805 2.8805 2.9606 2.9606 7.3708 7.3708 7.4780 7.4780 8.9268 8.9268 9.6628 9.6628 k = 0.4314-0.7268-0.4407 ( 9133 PWs) bands (ev): -41.7924 -41.7924 -41.7910 -41.7910 -40.6149 -40.6149 -40.5121 -40.5121 -12.8843 -12.8843 -7.5209 -7.5209 -2.4863 -2.4863 -1.4346 -1.4346 -0.8699 -0.8699 1.9164 1.9164 2.8694 2.8694 2.9738 2.9738 7.3634 7.3634 7.4607 7.4607 8.9087 8.9087 9.6817 9.6817 k = 0.4412-0.7433-0.4507 ( 9128 PWs) bands (ev): -41.7923 -41.7923 -41.7910 -41.7910 -40.6130 -40.6130 -40.5139 -40.5139 -12.8796 -12.8796 -7.5196 -7.5196 -2.5079 -2.5079 -1.4280 -1.4280 -0.8758 -0.8758 1.8993 1.8993 2.8598 2.8598 2.9855 2.9855 7.3562 7.3562 7.4451 7.4451 8.8928 8.8928 9.7021 9.7021 k = 0.4510-0.7598-0.4607 ( 9119 PWs) bands (ev): -41.7923 -41.7923 -41.7910 -41.7910 -40.6114 -40.6114 -40.5155 -40.5155 -12.8755 -12.8755 -7.5184 -7.5184 -2.5263 -2.5263 -1.4224 -1.4224 -0.8808 -0.8808 1.8848 1.8848 2.8516 2.8516 2.9956 2.9956 7.3499 7.3499 7.4312 7.4312 8.8792 8.8792 9.7230 9.7230 k = 0.4608-0.7764-0.4707 ( 9120 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6100 -40.6100 -40.5169 -40.5169 -12.8722 -12.8722 -7.5175 -7.5175 -2.5414 -2.5414 -1.4177 -1.4177 -0.8849 -0.8849 1.8728 1.8728 2.8449 2.8449 3.0041 3.0041 7.3445 7.3445 7.4193 7.4193 8.8680 8.8680 9.7432 9.7432 k = 0.4706-0.7929-0.4808 ( 9124 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6089 -40.6089 -40.5180 -40.5180 -12.8695 -12.8695 -7.5168 -7.5168 -2.5532 -2.5532 -1.4140 -1.4140 -0.8881 -0.8881 1.8635 1.8635 2.8396 2.8396 3.0108 3.0108 7.3404 7.3404 7.4096 7.4096 8.8592 8.8592 9.7613 9.7613 k = 0.4804-0.8094-0.4908 ( 9123 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6081 -40.6081 -40.5188 -40.5188 -12.8677 -12.8677 -7.5162 -7.5162 -2.5617 -2.5617 -1.4114 -1.4114 -0.8903 -0.8903 1.8569 1.8569 2.8359 2.8359 3.0156 3.0156 7.3375 7.3375 7.4023 7.4023 8.8528 8.8528 9.7757 9.7757 k = 0.4902-0.8259-0.5008 ( 9127 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6076 -40.6076 -40.5193 -40.5193 -12.8665 -12.8665 -7.5159 -7.5159 -2.5668 -2.5668 -1.4098 -1.4098 -0.8917 -0.8917 1.8529 1.8529 2.8336 2.8336 3.0185 3.0185 7.3358 7.3358 7.3978 7.3978 8.8490 8.8490 9.7852 9.7852 k = 0.5000-0.8424-0.5108 ( 9132 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5158 -7.5158 -2.5685 -2.5685 -1.4093 -1.4093 -0.8922 -0.8922 1.8515 1.8515 2.8329 2.8329 3.0194 3.0194 7.3353 7.3353 7.3963 7.3963 8.8478 8.8478 9.7884 9.7884 k = 0.5000-0.8424-0.5108 ( 9132 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5158 -7.5158 -2.5685 -2.5685 -1.4093 -1.4093 -0.8922 -0.8922 1.8515 1.8515 2.8329 2.8329 3.0194 3.0194 7.3353 7.3353 7.3963 7.3963 8.8478 8.8478 9.7884 9.7884 k = 0.5000-0.8312-0.5294 ( 9124 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6073 -40.6073 -40.5196 -40.5196 -12.8660 -12.8660 -7.5158 -7.5158 -2.5677 -2.5677 -1.4092 -1.4092 -0.8946 -0.8946 1.8521 1.8521 2.8316 2.8316 3.0198 3.0198 7.3386 7.3386 7.3973 7.3973 8.8487 8.8487 9.7844 9.7844 k = 0.5000-0.8199-0.5479 ( 9126 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6072 -40.6072 -40.5197 -40.5197 -12.8657 -12.8657 -7.5157 -7.5157 -2.5656 -2.5656 -1.4089 -1.4089 -0.9019 -0.9019 1.8538 1.8538 2.8277 2.8277 3.0209 3.0209 7.3483 7.3483 7.4005 7.4005 8.8514 8.8514 9.7723 9.7723 k = 0.5000-0.8087-0.5665 ( 9124 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6069 -40.6069 -40.5200 -40.5200 -12.8650 -12.8650 -7.5155 -7.5155 -2.5620 -2.5620 -1.4084 -1.4084 -0.9140 -0.9140 1.8566 1.8566 2.8212 2.8212 3.0227 3.0227 7.3645 7.3645 7.4057 7.4057 8.8556 8.8556 9.7530 9.7530 k = 0.5000-0.7974-0.5851 ( 9128 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6065 -40.6065 -40.5204 -40.5204 -12.8642 -12.8642 -7.5152 -7.5152 -2.5569 -2.5569 -1.4078 -1.4078 -0.9307 -0.9307 1.8605 1.8605 2.8123 2.8123 3.0251 3.0251 7.3866 7.3866 7.4129 7.4129 8.8612 8.8612 9.7273 9.7273 k = 0.5000-0.7861-0.6036 ( 9122 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6060 -40.6060 -40.5209 -40.5209 -12.8631 -12.8631 -7.5149 -7.5149 -2.5504 -2.5504 -1.4070 -1.4070 -0.9519 -0.9519 1.8654 1.8654 2.8010 2.8010 3.0283 3.0283 7.4140 7.4140 7.4221 7.4221 8.8674 8.8674 9.6967 9.6967 k = 0.5000-0.7749-0.6222 ( 9130 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6053 -40.6053 -40.5215 -40.5215 -12.8618 -12.8618 -7.5146 -7.5146 -2.5425 -2.5425 -1.4061 -1.4061 -0.9773 -0.9773 1.8714 1.8714 2.7875 2.7875 3.0322 3.0322 7.4318 7.4318 7.4477 7.4477 8.8736 8.8736 9.6632 9.6632 k = 0.5000-0.7636-0.6407 ( 9128 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6046 -40.6046 -40.5223 -40.5223 -12.8603 -12.8603 -7.5141 -7.5141 -2.5332 -2.5332 -1.4050 -1.4050 -1.0066 -1.0066 1.8783 1.8783 2.7719 2.7719 3.0367 3.0367 7.4437 7.4437 7.4848 7.4848 8.8785 8.8785 9.6291 9.6291 k = 0.5000-0.7524-0.6593 ( 9130 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6037 -40.6037 -40.5231 -40.5231 -12.8585 -12.8585 -7.5136 -7.5136 -2.5224 -2.5224 -1.4039 -1.4039 -1.0395 -1.0395 1.8862 1.8862 2.7544 2.7544 3.0418 3.0418 7.4567 7.4567 7.5258 7.5258 8.8808 8.8808 9.5972 9.5972 k = 0.5000-0.7411-0.6779 ( 9126 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6028 -40.6028 -40.5241 -40.5241 -12.8566 -12.8566 -7.5131 -7.5131 -2.5103 -2.5103 -1.4028 -1.4028 -1.0757 -1.0757 1.8949 1.8949 2.7352 2.7352 3.0475 3.0475 7.4705 7.4705 7.5694 7.5694 8.8784 8.8784 9.5709 9.5709 k = 0.5000-0.7299-0.6964 ( 9116 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6017 -40.6017 -40.5251 -40.5251 -12.8546 -12.8546 -7.5125 -7.5125 -2.4968 -2.4968 -1.4016 -1.4016 -1.1148 -1.1148 1.9045 1.9045 2.7144 2.7144 3.0538 3.0538 7.4848 7.4848 7.6147 7.6147 8.8697 8.8697 9.5534 9.5534 k = 0.5000-0.7186-0.7150 ( 9118 PWs) bands (ev): -41.7920 -41.7920 -41.7910 -41.7910 -40.6005 -40.6005 -40.5263 -40.5263 -12.8523 -12.8523 -7.5118 -7.5118 -2.4819 -2.4819 -1.4006 -1.4006 -1.1563 -1.1563 1.9148 1.9148 2.6924 2.6924 3.0607 3.0607 7.4994 7.4994 7.6602 7.6602 8.8533 8.8533 9.5478 9.5478 k = 0.5000-0.7074-0.7336 ( 9116 PWs) bands (ev): -41.7920 -41.7920 -41.7910 -41.7910 -40.5992 -40.5992 -40.5276 -40.5276 -12.8500 -12.8500 -7.5112 -7.5112 -2.4657 -2.4657 -1.4000 -1.4000 -1.1997 -1.1997 1.9259 1.9259 2.6693 2.6693 3.0679 3.0679 7.5140 7.5140 7.7046 7.7046 8.8291 8.8291 9.5557 9.5557 k = 0.5000-0.6961-0.7521 ( 9114 PWs) bands (ev): -41.7920 -41.7920 -41.7910 -41.7910 -40.5978 -40.5978 -40.5289 -40.5289 -12.8476 -12.8476 -7.5105 -7.5105 -2.4482 -2.4482 -1.4000 -1.4000 -1.2443 -1.2443 1.9378 1.9378 2.6453 2.6453 3.0757 3.0757 7.5283 7.5283 7.7459 7.7459 8.7987 8.7987 9.5777 9.5777 k = 0.5000-0.6848-0.7707 ( 9110 PWs) bands (ev): -41.7919 -41.7919 -41.7910 -41.7910 -40.5963 -40.5963 -40.5304 -40.5304 -12.8451 -12.8451 -7.5097 -7.5097 -2.4293 -2.4293 -1.4018 -1.4018 -1.2887 -1.2887 1.9503 1.9503 2.6206 2.6206 3.0838 3.0838 7.5420 7.5420 7.7822 7.7822 8.7649 8.7649 9.6130 9.6130 k = 0.5000-0.6736-0.7892 ( 9112 PWs) bands (ev): -41.7919 -41.7919 -41.7910 -41.7910 -40.5948 -40.5948 -40.5320 -40.5320 -12.8425 -12.8425 -7.5090 -7.5090 -2.4092 -2.4092 -1.4085 -1.4085 -1.3295 -1.3295 1.9634 1.9634 2.5955 2.5955 3.0922 3.0922 7.5549 7.5549 7.8108 7.8108 8.7315 8.7315 9.6603 9.6603 k = 0.5000-0.6623-0.8078 ( 9114 PWs) bands (ev): -41.7919 -41.7919 -41.7910 -41.7910 -40.5931 -40.5931 -40.5337 -40.5337 -12.8399 -12.8399 -7.5082 -7.5082 -2.3879 -2.3879 -1.4284 -1.4284 -1.3579 -1.3579 1.9772 1.9772 2.5702 2.5702 3.1008 3.1008 7.5668 7.5668 7.8293 7.8293 8.7023 8.7023 9.7180 9.7180 k = 0.5000-0.6511-0.8264 ( 9110 PWs) bands (ev): -41.7919 -41.7919 -41.7910 -41.7910 -40.5913 -40.5913 -40.5354 -40.5354 -12.8373 -12.8373 -7.5075 -7.5075 -2.3653 -2.3653 -1.4656 -1.4656 -1.3697 -1.3697 1.9916 1.9916 2.5449 2.5449 3.1096 3.1096 7.5775 7.5775 7.8353 7.8353 8.6812 8.6812 9.7846 9.7846 k = 0.5000-0.6398-0.8449 ( 9114 PWs) bands (ev): -41.7918 -41.7918 -41.7910 -41.7910 -40.5894 -40.5894 -40.5373 -40.5373 -12.8348 -12.8348 -7.5068 -7.5068 -2.3415 -2.3415 -1.5112 -1.5112 -1.3734 -1.3734 2.0066 2.0066 2.5197 2.5197 3.1185 3.1185 7.5869 7.5869 7.8271 7.8271 8.6707 8.6707 9.8588 9.8588 k = 0.5000-0.6286-0.8635 ( 9120 PWs) bands (ev): -41.7918 -41.7918 -41.7910 -41.7910 -40.5874 -40.5874 -40.5393 -40.5393 -12.8323 -12.8323 -7.5060 -7.5060 -2.3165 -2.3165 -1.5595 -1.5595 -1.3744 -1.3744 2.0221 2.0221 2.4949 2.4949 3.1274 3.1274 7.5948 7.5948 7.8046 7.8046 8.6720 8.6720 9.9391 9.9391 k = 0.5000-0.6173-0.8821 ( 9118 PWs) bands (ev): -41.7918 -41.7918 -41.7910 -41.7910 -40.5854 -40.5854 -40.5413 -40.5413 -12.8299 -12.8299 -7.5053 -7.5053 -2.2905 -2.2905 -1.6086 -1.6086 -1.3744 -1.3744 2.0383 2.0383 2.4706 2.4706 3.1361 3.1361 7.6011 7.6011 7.7691 7.7691 8.6846 8.6846 10.0242 10.0242 k = 0.5000-0.6061-0.9006 ( 9126 PWs) bands (ev): -41.7917 -41.7917 -41.7910 -41.7910 -40.5832 -40.5832 -40.5434 -40.5434 -12.8276 -12.8276 -7.5047 -7.5047 -2.2634 -2.2634 -1.6576 -1.6576 -1.3740 -1.3740 2.0549 2.0549 2.4471 2.4471 3.1447 3.1447 7.6059 7.6059 7.7229 7.7229 8.7069 8.7069 10.1127 10.1127 k = 0.5000-0.5948-0.9192 ( 9126 PWs) bands (ev): -41.7917 -41.7917 -41.7910 -41.7910 -40.5810 -40.5810 -40.5457 -40.5457 -12.8254 -12.8254 -7.5041 -7.5041 -2.2352 -2.2352 -1.7059 -1.7059 -1.3735 -1.3735 2.0722 2.0722 2.4244 2.4244 3.1529 3.1529 7.6091 7.6091 7.6686 7.6686 8.7371 8.7371 10.2032 10.2032 k = 0.5000-0.5835-0.9377 ( 9126 PWs) bands (ev): -41.7917 -41.7917 -41.7910 -41.7910 -40.5787 -40.5787 -40.5480 -40.5480 -12.8235 -12.8235 -7.5035 -7.5035 -2.2061 -2.2061 -1.7532 -1.7532 -1.3730 -1.3730 2.0899 2.0899 2.4027 2.4027 3.1606 3.1606 7.6062 7.6062 7.6133 7.6133 8.7734 8.7734 10.2944 10.2944 k = 0.5000-0.5723-0.9563 ( 9128 PWs) bands (ev): -41.7916 -41.7916 -41.7910 -41.7910 -40.5763 -40.5763 -40.5503 -40.5503 -12.8218 -12.8218 -7.5030 -7.5030 -2.1762 -2.1762 -1.7990 -1.7990 -1.3727 -1.3727 2.1082 2.1082 2.3822 2.3822 3.1677 3.1677 7.5445 7.5445 7.6117 7.6117 8.8142 8.8142 10.3845 10.3845 k = 0.5000-0.5610-0.9749 ( 9128 PWs) bands (ev): -41.7916 -41.7916 -41.7911 -41.7911 -40.5738 -40.5738 -40.5528 -40.5528 -12.8203 -12.8203 -7.5026 -7.5026 -2.1456 -2.1456 -1.8431 -1.8431 -1.3725 -1.3725 2.1271 2.1271 2.3629 2.3629 3.1742 3.1742 7.4790 7.4790 7.6108 7.6108 8.8586 8.8586 10.4558 10.4558 k = 0.5000-0.5498-0.9934 ( 9130 PWs) bands (ev): -41.7916 -41.7916 -41.7911 -41.7911 -40.5713 -40.5713 -40.5553 -40.5553 -12.8191 -12.8191 -7.5022 -7.5022 -2.1146 -2.1146 -1.8850 -1.8850 -1.3724 -1.3724 2.1465 2.1465 2.3450 2.3450 3.1797 3.1797 7.4127 7.4127 7.6088 7.6088 8.9056 8.9056 10.4541 10.4541 k = 0.5000-0.5385-1.0120 ( 9132 PWs) bands (ev): -41.7916 -41.7916 -41.7911 -41.7911 -40.5687 -40.5687 -40.5579 -40.5579 -12.8182 -12.8182 -7.5020 -7.5020 -2.0838 -2.0838 -1.9238 -1.9238 -1.3726 -1.3726 2.1664 2.1664 2.3286 2.3286 3.1842 3.1842 7.3469 7.3469 7.6060 7.6060 8.9548 8.9548 10.4510 10.4510 k = 0.5000-0.5273-1.0306 ( 9138 PWs) bands (ev): -41.7915 -41.7915 -41.7911 -41.7911 -40.5661 -40.5661 -40.5606 -40.5606 -12.8177 -12.8177 -7.5018 -7.5018 -2.0557 -2.0557 -1.9570 -1.9570 -1.3731 -1.3731 2.1869 2.1869 2.3137 2.3137 3.1876 3.1876 7.2823 7.2823 7.6025 7.6025 9.0058 9.0058 10.4481 10.4481 k = 0.5000-0.5160-1.0491 ( 9136 PWs) bands (ev): -41.7915 -41.7915 -41.7912 -41.7912 -40.5634 -40.5634 -40.5633 -40.5633 -12.8175 -12.8175 -7.5018 -7.5018 -2.0412 -2.0412 -1.9737 -1.9737 -1.3738 -1.3738 2.2079 2.2079 2.3005 2.3005 3.1896 3.1896 7.2196 7.2196 7.5985 7.5985 9.0582 9.0582 10.4444 10.4444 k = 0.5000-0.5048-1.0677 ( 9144 PWs) bands (ev): -41.7915 -41.7915 -41.7912 -41.7912 -40.5661 -40.5661 -40.5606 -40.5606 -12.8177 -12.8177 -7.5018 -7.5018 -2.0552 -2.0552 -1.9586 -1.9586 -1.3747 -1.3747 2.2294 2.2294 2.2890 2.2890 3.1901 3.1901 7.1594 7.1594 7.5943 7.5943 9.1119 9.1119 10.4383 10.4383 k = 0.5000-0.4935-1.0862 ( 9138 PWs) bands (ev): -41.7915 -41.7915 -41.7912 -41.7912 -40.5689 -40.5689 -40.5577 -40.5577 -12.8183 -12.8183 -7.5020 -7.5020 -2.0811 -2.0811 -1.9285 -1.9285 -1.3758 -1.3758 2.2513 2.2513 2.2794 2.2794 3.1891 3.1891 7.1022 7.1022 7.5900 7.5900 9.1668 9.1668 10.4280 10.4280 k = 0.5000-0.4823-1.1048 ( 9134 PWs) bands (ev): -41.7914 -41.7914 -41.7912 -41.7912 -40.5718 -40.5718 -40.5549 -40.5549 -12.8193 -12.8193 -7.5023 -7.5023 -2.1077 -2.1077 -1.8944 -1.8944 -1.3772 -1.3772 2.2696 2.2696 2.2759 2.2759 3.1862 3.1862 7.0483 7.0483 7.5859 7.5859 9.2228 9.2228 10.4113 10.4113 k = 0.8162-0.3955-0.9384 ( 9134 PWs) bands (ev): -41.7914 -41.7914 -41.7912 -41.7912 -40.5718 -40.5718 -40.5549 -40.5549 -12.8193 -12.8193 -7.5023 -7.5023 -2.1077 -2.1077 -1.8944 -1.8944 -1.3772 -1.3772 2.2696 2.2696 2.2759 2.2759 3.1862 3.1862 7.0483 7.0483 7.5859 7.5859 9.2228 9.2228 10.4113 10.4113 k = 0.8104-0.3858-0.9198 ( 9126 PWs) bands (ev): -41.7914 -41.7914 -41.7913 -41.7913 -40.5747 -40.5747 -40.5519 -40.5519 -12.8208 -12.8208 -7.5028 -7.5028 -2.1327 -2.1327 -1.8588 -1.8588 -1.3787 -1.3787 2.2649 2.2649 2.2976 2.2976 3.1816 3.1816 6.9981 6.9981 7.5822 7.5822 9.2797 9.2797 10.3870 10.3870 k = 0.8047-0.3761-0.9013 ( 9128 PWs) bands (ev): -41.7914 -41.7914 -41.7913 -41.7913 -40.5777 -40.5777 -40.5490 -40.5490 -12.8228 -12.8228 -7.5034 -7.5034 -2.1552 -2.1552 -1.8223 -1.8223 -1.3804 -1.3804 2.2609 2.2609 2.3212 2.3212 3.1749 3.1749 6.9518 6.9518 7.5790 7.5790 9.3375 9.3375 10.3553 10.3553 k = 0.7989-0.3664-0.8827 ( 9126 PWs) bands (ev): -41.7914 -41.7914 -41.7914 -41.7914 -40.5807 -40.5807 -40.5460 -40.5460 -12.8253 -12.8253 -7.5041 -7.5041 -2.1749 -2.1749 -1.7853 -1.7853 -1.3821 -1.3821 2.2587 2.2587 2.3454 2.3454 3.1661 3.1661 6.9098 6.9098 7.5767 7.5767 9.3961 9.3961 10.3176 10.3176 k = 0.7932-0.3567-0.8641 ( 9128 PWs) bands (ev): -41.7914 -41.7914 -41.7914 -41.7914 -40.5838 -40.5838 -40.5429 -40.5429 -12.8282 -12.8282 -7.5050 -7.5050 -2.1916 -2.1916 -1.7482 -1.7482 -1.3838 -1.3838 2.2584 2.2584 2.3700 2.3700 3.1552 3.1552 6.8720 6.8720 7.5753 7.5753 9.4555 9.4555 10.2761 10.2761 k = 0.7874-0.3471-0.8455 ( 9136 PWs) bands (ev): -41.7915 -41.7915 -41.7913 -41.7913 -40.5868 -40.5868 -40.5399 -40.5399 -12.8317 -12.8317 -7.5060 -7.5060 -2.2053 -2.2053 -1.7112 -1.7112 -1.3852 -1.3852 2.2601 2.2601 2.3952 2.3952 3.1421 3.1421 6.8388 6.8388 7.5750 7.5750 9.5155 9.5155 10.2326 10.2326 k = 0.7817-0.3374-0.8270 ( 9128 PWs) bands (ev): -41.7915 -41.7915 -41.7913 -41.7913 -40.5900 -40.5900 -40.5368 -40.5368 -12.8357 -12.8357 -7.5072 -7.5072 -2.2158 -2.2158 -1.6747 -1.6747 -1.3860 -1.3860 2.2637 2.2637 2.4207 2.4207 3.1269 3.1269 6.8102 6.8102 7.5759 7.5759 9.5762 9.5762 10.1885 10.1885 k = 0.7759-0.3277-0.8084 ( 9130 PWs) bands (ev): -41.7916 -41.7916 -41.7913 -41.7913 -40.5931 -40.5931 -40.5336 -40.5336 -12.8402 -12.8402 -7.5086 -7.5086 -2.2230 -2.2230 -1.6392 -1.6392 -1.3860 -1.3860 2.2693 2.2693 2.4467 2.4467 3.1094 3.1094 6.7862 6.7862 7.5782 7.5782 9.6374 9.6374 10.1448 10.1448 k = 0.7702-0.3180-0.7898 ( 9140 PWs) bands (ev): -41.7916 -41.7916 -41.7913 -41.7913 -40.5963 -40.5963 -40.5305 -40.5305 -12.8453 -12.8453 -7.5101 -7.5101 -2.2270 -2.2270 -1.6053 -1.6053 -1.3843 -1.3843 2.2769 2.2769 2.4730 2.4730 3.0900 3.0900 6.7667 6.7667 7.5818 7.5818 9.6990 9.6990 10.1023 10.1023 k = 0.7644-0.3083-0.7712 ( 9140 PWs) bands (ev): -41.7917 -41.7917 -41.7913 -41.7913 -40.5994 -40.5994 -40.5274 -40.5274 -12.8509 -12.8509 -7.5118 -7.5118 -2.2276 -2.2276 -1.5742 -1.5742 -1.3801 -1.3801 2.2865 2.2865 2.4995 2.4995 3.0686 3.0686 6.7518 6.7518 7.5870 7.5870 9.7611 9.7611 10.0615 10.0615 k = 0.7587-0.2986-0.7527 ( 9144 PWs) bands (ev): -41.7917 -41.7917 -41.7913 -41.7913 -40.6026 -40.6026 -40.5242 -40.5242 -12.8570 -12.8570 -7.5137 -7.5137 -2.2249 -2.2249 -1.5473 -1.5473 -1.3717 -1.3717 2.2980 2.2980 2.5261 2.5261 3.0454 3.0454 6.7413 6.7413 7.5936 7.5936 9.8234 9.8234 10.0228 10.0228 k = 0.7529-0.2889-0.7341 ( 9144 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6058 -40.6058 -40.5211 -40.5211 -12.8636 -12.8636 -7.5157 -7.5157 -2.2188 -2.2188 -1.5263 -1.5263 -1.3578 -1.3578 2.3115 2.3115 2.5526 2.5526 3.0209 3.0209 6.7352 6.7352 7.6018 7.6018 9.8859 9.8859 9.9866 9.9866 k = 0.7472-0.2793-0.7155 ( 9142 PWs) bands (ev): -41.7919 -41.7919 -41.7913 -41.7913 -40.6090 -40.6090 -40.5179 -40.5179 -12.8707 -12.8707 -7.5179 -7.5179 -2.2093 -2.2093 -1.5120 -1.5120 -1.3375 -1.3375 2.3269 2.3269 2.5786 2.5786 2.9953 2.9953 6.7331 6.7331 7.6115 7.6115 9.9474 9.9474 9.9541 9.9541 k = 0.7414-0.2696-0.6969 ( 9142 PWs) bands (ev): -41.7919 -41.7919 -41.7913 -41.7913 -40.6122 -40.6122 -40.5147 -40.5147 -12.8783 -12.8783 -7.5202 -7.5202 -2.1965 -2.1965 -1.5039 -1.5039 -1.3113 -1.3113 2.3442 2.3442 2.6038 2.6038 2.9693 2.9693 6.7350 6.7350 7.6226 7.6226 9.9222 9.9222 10.0113 10.0113 k = 0.7357-0.2599-0.6784 ( 9132 PWs) bands (ev): -41.7920 -41.7920 -41.7913 -41.7913 -40.6154 -40.6154 -40.5116 -40.5116 -12.8864 -12.8864 -7.5227 -7.5227 -2.1804 -2.1804 -1.5006 -1.5006 -1.2807 -1.2807 2.3634 2.3634 2.6271 2.6271 2.9440 2.9440 6.7405 6.7405 7.6351 7.6351 9.8945 9.8945 10.0737 10.0737 k = 0.7299-0.2502-0.6598 ( 9134 PWs) bands (ev): -41.7921 -41.7921 -41.7914 -41.7914 -40.6186 -40.6186 -40.5085 -40.5085 -12.8949 -12.8949 -7.5253 -7.5253 -2.1610 -2.1610 -1.5006 -1.5006 -1.2472 -1.2472 2.3846 2.3846 2.6472 2.6472 2.9208 2.9208 6.7495 6.7495 7.6489 7.6489 9.8700 9.8700 10.1359 10.1359 k = 0.7242-0.2405-0.6412 ( 9136 PWs) bands (ev): -41.7921 -41.7921 -41.7914 -41.7914 -40.6218 -40.6218 -40.5053 -40.5053 -12.9039 -12.9039 -7.5281 -7.5281 -2.1383 -2.1383 -1.5028 -1.5028 -1.2120 -1.2120 2.4075 2.4075 2.6617 2.6617 2.9023 2.9023 6.7615 6.7615 7.6639 7.6639 9.8486 9.8486 10.1977 10.1977 k = 0.7184-0.2308-0.6226 ( 9134 PWs) bands (ev): -41.7922 -41.7922 -41.7914 -41.7914 -40.6249 -40.6249 -40.5022 -40.5022 -12.9133 -12.9133 -7.5310 -7.5310 -2.1125 -2.1125 -1.5067 -1.5067 -1.1758 -1.1758 2.4323 2.4323 2.6676 2.6676 2.8917 2.8917 6.7763 6.7763 7.6799 7.6799 9.8305 9.8305 10.2585 10.2585 k = 0.7127-0.2212-0.6041 ( 9132 PWs) bands (ev): -41.7923 -41.7923 -41.7914 -41.7914 -40.6280 -40.6280 -40.4991 -40.4991 -12.9230 -12.9230 -7.5340 -7.5340 -2.0835 -2.0835 -1.5115 -1.5115 -1.1390 -1.1390 2.4589 2.4589 2.6624 2.6624 2.8917 2.8917 6.7935 6.7935 7.6968 7.6968 9.8157 9.8157 10.3059 10.3059 k = 0.7069-0.2115-0.5855 ( 9128 PWs) bands (ev): -41.7924 -41.7924 -41.7914 -41.7914 -40.6311 -40.6311 -40.4961 -40.4961 -12.9331 -12.9331 -7.5372 -7.5372 -2.0514 -2.0514 -1.5172 -1.5172 -1.1020 -1.1020 2.4873 2.4873 2.6461 2.6461 2.9023 2.9023 6.8129 6.8129 7.7144 7.7144 9.8042 9.8042 10.2465 10.2465 k = 0.7012-0.2018-0.5669 ( 9122 PWs) bands (ev): -41.7925 -41.7925 -41.7915 -41.7915 -40.6342 -40.6342 -40.4931 -40.4931 -12.9435 -12.9435 -7.5405 -7.5405 -2.0164 -2.0164 -1.5235 -1.5235 -1.0651 -1.0651 2.5173 2.5173 2.6214 2.6214 2.9210 2.9210 6.8339 6.8339 7.7324 7.7324 9.7961 9.7961 10.1739 10.1739 k = 0.6954-0.1921-0.5483 ( 9130 PWs) bands (ev): -41.7925 -41.7925 -41.7915 -41.7915 -40.6373 -40.6373 -40.4901 -40.4901 -12.9542 -12.9542 -7.5439 -7.5439 -1.9786 -1.9786 -1.5301 -1.5301 -1.0285 -1.0285 2.5490 2.5490 2.5912 2.5912 2.9451 2.9451 6.8561 6.8561 7.7506 7.7506 9.7911 9.7911 10.1008 10.1008 k = 0.6897-0.1824-0.5298 ( 9128 PWs) bands (ev): -41.7926 -41.7926 -41.7915 -41.7915 -40.6403 -40.6403 -40.4871 -40.4871 -12.9652 -12.9652 -7.5474 -7.5474 -1.9380 -1.9380 -1.5371 -1.5371 -0.9922 -0.9922 2.5570 2.5570 2.5828 2.5828 2.9727 2.9727 6.8793 6.8793 7.7689 7.7689 9.7894 9.7894 10.0280 10.0280 k = 0.6840-0.1727-0.5112 ( 9130 PWs) bands (ev): -41.7927 -41.7927 -41.7916 -41.7916 -40.6432 -40.6432 -40.4842 -40.4842 -12.9764 -12.9764 -7.5509 -7.5509 -1.8948 -1.8948 -1.5442 -1.5442 -0.9564 -0.9564 2.5212 2.5212 2.6177 2.6177 3.0027 3.0027 6.9028 6.9028 7.7869 7.7869 9.7908 9.7908 9.9558 9.9558 k = 0.6782-0.1630-0.4926 ( 9130 PWs) bands (ev): -41.7928 -41.7928 -41.7916 -41.7916 -40.6461 -40.6461 -40.4814 -40.4814 -12.9878 -12.9878 -7.5545 -7.5545 -1.8493 -1.8493 -1.5513 -1.5513 -0.9212 -0.9212 2.4839 2.4839 2.6542 2.6542 3.0341 3.0341 6.9264 6.9264 7.8045 7.8045 9.7952 9.7952 9.8849 9.8849 k = 0.6725-0.1534-0.4740 ( 9130 PWs) bands (ev): -41.7929 -41.7929 -41.7916 -41.7916 -40.6490 -40.6490 -40.4786 -40.4786 -12.9993 -12.9993 -7.5582 -7.5582 -1.8016 -1.8016 -1.5583 -1.5583 -0.8867 -0.8867 2.4458 2.4458 2.6922 2.6922 3.0666 3.0666 6.9494 6.9494 7.8213 7.8213 9.8011 9.8011 9.8168 9.8168 k = 0.6667-0.1437-0.4555 ( 9120 PWs) bands (ev): -41.7930 -41.7930 -41.7917 -41.7917 -40.6518 -40.6518 -40.4758 -40.4758 -13.0109 -13.0109 -7.5620 -7.5620 -1.7523 -1.7523 -1.5647 -1.5647 -0.8529 -0.8529 2.4073 2.4073 2.7317 2.7317 3.0998 3.0998 6.9715 6.9715 7.8371 7.8371 9.7465 9.7465 9.8137 9.8137 k = 0.6610-0.1340-0.4369 ( 9124 PWs) bands (ev): -41.7930 -41.7930 -41.7917 -41.7917 -40.6546 -40.6546 -40.4731 -40.4731 -13.0225 -13.0225 -7.5657 -7.5657 -1.7024 -1.7024 -1.5696 -1.5696 -0.8199 -0.8199 2.3688 2.3688 2.7724 2.7724 3.1335 3.1335 6.9920 6.9920 7.8517 7.8517 9.6808 9.6808 9.8265 9.8265 k = 0.6552-0.1243-0.4183 ( 9122 PWs) bands (ev): -41.7931 -41.7931 -41.7917 -41.7917 -40.6573 -40.6573 -40.4705 -40.4705 -13.0342 -13.0342 -7.5695 -7.5695 -1.6556 -1.6556 -1.5695 -1.5695 -0.7878 -0.7878 2.3305 2.3305 2.8144 2.8144 3.1675 3.1675 7.0106 7.0106 7.8648 7.8648 9.6173 9.6173 9.8422 9.8422 k = 0.6495-0.1146-0.3997 ( 9112 PWs) bands (ev): -41.7932 -41.7932 -41.7918 -41.7918 -40.6599 -40.6599 -40.4679 -40.4679 -13.0459 -13.0459 -7.5733 -7.5733 -1.6244 -1.6244 -1.5519 -1.5519 -0.7565 -0.7565 2.2925 2.2925 2.8576 2.8576 3.2017 3.2017 7.0268 7.0268 7.8763 7.8763 9.5565 9.5565 9.8604 9.8604 k = 0.6437-0.1049-0.3812 ( 9108 PWs) bands (ev): -41.7933 -41.7933 -41.7918 -41.7918 -40.6625 -40.6625 -40.4654 -40.4654 -13.0576 -13.0576 -7.5771 -7.5771 -1.6175 -1.6175 -1.5086 -1.5086 -0.7263 -0.7263 2.2550 2.2550 2.9018 2.9018 3.2359 3.2359 7.0400 7.0400 7.8860 7.8860 9.4987 9.4987 9.8810 9.8810 k = 0.6380-0.0952-0.3626 ( 9114 PWs) bands (ev): -41.7934 -41.7934 -41.7919 -41.7919 -40.6650 -40.6650 -40.4630 -40.4630 -13.0691 -13.0691 -7.5809 -7.5809 -1.6205 -1.6205 -1.4538 -1.4538 -0.6970 -0.6970 2.2182 2.2182 2.9469 2.9469 3.2700 3.2700 7.0497 7.0497 7.8938 7.8938 9.4442 9.4442 9.9040 9.9040 k = 0.6322-0.0856-0.3440 ( 9110 PWs) bands (ev): -41.7935 -41.7935 -41.7919 -41.7919 -40.6674 -40.6674 -40.4606 -40.4606 -13.0805 -13.0805 -7.5847 -7.5847 -1.6262 -1.6262 -1.3949 -1.3949 -0.6687 -0.6687 2.1822 2.1822 2.9928 2.9928 3.3039 3.3039 7.0557 7.0557 7.8995 7.8995 9.3934 9.3934 9.9292 9.9292 k = 0.6265-0.0759-0.3254 ( 9118 PWs) bands (ev): -41.7935 -41.7935 -41.7919 -41.7919 -40.6697 -40.6697 -40.4584 -40.4584 -13.0917 -13.0917 -7.5884 -7.5884 -1.6329 -1.6329 -1.3341 -1.3341 -0.6415 -0.6415 2.1471 2.1471 3.0394 3.0394 3.3375 3.3375 7.0575 7.0575 7.9031 7.9031 9.3464 9.3464 9.9566 9.9566 k = 0.6207-0.0662-0.3069 ( 9108 PWs) bands (ev): -41.7936 -41.7936 -41.7920 -41.7920 -40.6720 -40.6720 -40.4562 -40.4562 -13.1028 -13.1028 -7.5921 -7.5921 -1.6399 -1.6399 -1.2720 -1.2720 -0.6154 -0.6154 2.1129 2.1129 3.0865 3.0865 3.3707 3.3707 7.0548 7.0548 7.9045 7.9045 9.3035 9.3035 9.9859 9.9859 k = 0.6150-0.0565-0.2883 ( 9110 PWs) bands (ev): -41.7937 -41.7937 -41.7920 -41.7920 -40.6741 -40.6741 -40.4540 -40.4540 -13.1135 -13.1135 -7.5956 -7.5956 -1.6470 -1.6470 -1.2093 -1.2093 -0.5904 -0.5904 2.0799 2.0799 3.1339 3.1339 3.4033 3.4033 7.0475 7.0475 7.9038 7.9038 9.2648 9.2648 10.0172 10.0172 k = 0.6092-0.0468-0.2697 ( 9108 PWs) bands (ev): -41.7938 -41.7938 -41.7921 -41.7921 -40.6762 -40.6762 -40.4520 -40.4520 -13.1240 -13.1240 -7.5991 -7.5991 -1.6541 -1.6541 -1.1462 -1.1462 -0.5665 -0.5665 2.0479 2.0479 3.1814 3.1814 3.4353 3.4353 7.0356 7.0356 7.9010 7.9010 9.2304 9.2304 10.0502 10.0502 k = 0.6035-0.0371-0.2511 ( 9112 PWs) bands (ev): -41.7938 -41.7938 -41.7921 -41.7921 -40.6782 -40.6782 -40.4501 -40.4501 -13.1342 -13.1342 -7.6026 -7.6026 -1.6611 -1.6611 -1.0831 -1.0831 -0.5437 -0.5437 2.0172 2.0172 3.2290 3.2290 3.4665 3.4665 7.0190 7.0190 7.8962 7.8962 9.2003 9.2003 10.0847 10.0847 k = 0.5977-0.0274-0.2326 ( 9108 PWs) bands (ev): -41.7939 -41.7939 -41.7921 -41.7921 -40.6801 -40.6801 -40.4482 -40.4482 -13.1440 -13.1440 -7.6059 -7.6059 -1.6679 -1.6679 -1.0204 -1.0204 -0.5221 -0.5221 1.9878 1.9878 3.2762 3.2762 3.4968 3.4968 6.9981 6.9981 7.8896 7.8896 9.1744 9.1744 10.1207 10.1207 k = 0.5920-0.0178-0.2140 ( 9112 PWs) bands (ev): -41.7940 -41.7940 -41.7922 -41.7922 -40.6820 -40.6820 -40.4465 -40.4465 -13.1535 -13.1535 -7.6090 -7.6090 -1.6745 -1.6745 -0.9585 -0.9585 -0.5016 -0.5016 1.9597 1.9597 3.3230 3.3230 3.5262 3.5262 6.9732 6.9732 7.8812 7.8812 9.1524 9.1524 10.1577 10.1577 k = 0.5862-0.0081-0.1954 ( 9118 PWs) bands (ev): -41.7940 -41.7940 -41.7922 -41.7922 -40.6837 -40.6837 -40.4448 -40.4448 -13.1625 -13.1625 -7.6121 -7.6121 -1.6808 -1.6808 -0.8976 -0.8976 -0.4823 -0.4823 1.9330 1.9330 3.3690 3.3690 3.5545 3.5545 6.9447 6.9447 7.8713 7.8713 9.1341 9.1341 10.1956 10.1956 k = 0.5805 0.0016-0.1769 ( 9116 PWs) bands (ev): -41.7941 -41.7941 -41.7923 -41.7923 -40.6853 -40.6853 -40.4432 -40.4432 -13.1711 -13.1711 -7.6150 -7.6150 -1.6868 -1.6868 -0.8382 -0.8382 -0.4641 -0.4641 1.9077 1.9077 3.4141 3.4141 3.5816 3.5816 6.9133 6.9133 7.8602 7.8602 9.1193 9.1193 10.2341 10.2341 k = 0.5747 0.0113-0.1583 ( 9120 PWs) bands (ev): -41.7942 -41.7942 -41.7923 -41.7923 -40.6868 -40.6868 -40.4418 -40.4418 -13.1793 -13.1793 -7.6178 -7.6178 -1.6926 -1.6926 -0.7806 -0.7806 -0.4470 -0.4470 1.8839 1.8839 3.4579 3.4579 3.6073 3.6073 6.8795 6.8795 7.8479 7.8479 9.1074 9.1074 10.2727 10.2727 k = 0.5690 0.0210-0.1397 ( 9116 PWs) bands (ev): -41.7942 -41.7942 -41.7923 -41.7923 -40.6882 -40.6882 -40.4404 -40.4404 -13.1869 -13.1869 -7.6204 -7.6204 -1.6980 -1.6980 -0.7254 -0.7254 -0.4310 -0.4310 1.8616 1.8616 3.5001 3.5001 3.6317 3.6317 6.8441 6.8441 7.8349 7.8349 9.0983 9.0983 10.3111 10.3111 k = 0.5632 0.0307-0.1211 ( 9114 PWs) bands (ev): -41.7943 -41.7943 -41.7924 -41.7924 -40.6895 -40.6895 -40.4392 -40.4392 -13.1940 -13.1940 -7.6228 -7.6228 -1.7030 -1.7030 -0.6728 -0.6728 -0.4159 -0.4159 1.8410 1.8410 3.5405 3.5405 3.6546 3.6546 6.8079 6.8079 7.8214 7.8214 9.0914 9.0914 10.3489 10.3489 k = 0.5575 0.0404-0.1026 ( 9110 PWs) bands (ev): -41.7943 -41.7943 -41.7924 -41.7924 -40.6907 -40.6907 -40.4380 -40.4380 -13.2006 -13.2006 -7.6250 -7.6250 -1.7077 -1.7077 -0.6235 -0.6235 -0.4019 -0.4019 1.8219 1.8219 3.5787 3.5787 3.6759 3.6759 6.7717 6.7717 7.8076 7.8076 9.0863 9.0863 10.3857 10.3857 k = 0.5517 0.0500-0.0840 ( 9120 PWs) bands (ev): -41.7944 -41.7944 -41.7924 -41.7924 -40.6918 -40.6918 -40.4369 -40.4369 -13.2066 -13.2066 -7.6271 -7.6271 -1.7120 -1.7120 -0.5778 -0.5778 -0.3887 -0.3887 1.8045 1.8045 3.6145 3.6145 3.6954 3.6954 6.7361 6.7361 7.7940 7.7940 9.0829 9.0829 10.4209 10.4209 k = 0.5460 0.0597-0.0654 ( 9124 PWs) bands (ev): -41.7944 -41.7944 -41.7924 -41.7924 -40.6928 -40.6928 -40.4360 -40.4360 -13.2120 -13.2120 -7.6289 -7.6289 -1.7159 -1.7159 -0.5364 -0.5364 -0.3762 -0.3762 1.7888 1.7888 3.6474 3.6474 3.7132 3.7132 6.7020 6.7020 7.7807 7.7807 9.0806 9.0806 10.4542 10.4542 k = 0.5402 0.0694-0.0468 ( 9118 PWs) bands (ev): -41.7944 -41.7944 -41.7925 -41.7925 -40.6936 -40.6936 -40.4352 -40.4352 -13.2168 -13.2168 -7.6306 -7.6306 -1.7193 -1.7193 -0.4997 -0.4997 -0.3643 -0.3643 1.7748 1.7748 3.6774 3.6774 3.7291 3.7291 6.6700 6.6700 7.7681 7.7681 9.0793 9.0793 10.4850 10.4850 k = 0.5345 0.0791-0.0283 ( 9114 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6944 -40.6944 -40.4344 -40.4344 -13.2211 -13.2211 -7.6320 -7.6320 -1.7224 -1.7224 -0.4682 -0.4682 -0.3527 -0.3527 1.7626 1.7626 3.7039 3.7039 3.7432 3.7432 6.6409 6.6409 7.7565 7.7565 9.0786 9.0786 10.5128 10.5128 k = 0.5287 0.0888-0.0097 ( 9118 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6950 -40.6950 -40.4338 -40.4338 -13.2246 -13.2246 -7.6333 -7.6333 -1.7249 -1.7249 -0.4425 -0.4425 -0.3415 -0.3415 1.7522 1.7522 3.7267 3.7267 3.7553 3.7553 6.6152 6.6152 7.7462 7.7462 9.0784 9.0784 10.5373 10.5373 k = 0.5230 0.0985 0.0089 ( 9128 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6956 -40.6956 -40.4333 -40.4333 -13.2276 -13.2276 -7.6343 -7.6343 -1.7271 -1.7271 -0.4226 -0.4226 -0.3307 -0.3307 1.7437 1.7437 3.7455 3.7455 3.7655 3.7655 6.5934 6.5934 7.7374 7.7374 9.0784 9.0784 10.5580 10.5580 k = 0.5172 0.1082 0.0275 ( 9134 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6960 -40.6960 -40.4329 -40.4329 -13.2299 -13.2299 -7.6351 -7.6351 -1.7287 -1.7287 -0.4081 -0.4081 -0.3210 -0.3210 1.7370 1.7370 3.7600 3.7600 3.7739 3.7739 6.5760 6.5760 7.7303 7.7303 9.0786 9.0786 10.5745 10.5745 k = 0.5115 0.1178 0.0460 ( 9138 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6963 -40.6963 -40.4326 -40.4326 -13.2316 -13.2316 -7.6356 -7.6356 -1.7299 -1.7299 -0.3985 -0.3985 -0.3132 -0.3132 1.7322 1.7322 3.7698 3.7698 3.7805 3.7805 6.5633 6.5633 7.7251 7.7251 9.0788 9.0788 10.5865 10.5865 k = 0.5057 0.1275 0.0646 ( 9146 PWs) bands (ev): -41.7945 -41.7945 -41.7926 -41.7926 -40.6964 -40.6964 -40.4325 -40.4325 -13.2325 -13.2325 -7.6360 -7.6360 -1.7306 -1.7306 -0.3931 -0.3931 -0.3081 -0.3081 1.7293 1.7293 3.7753 3.7753 3.7851 3.7851 6.5556 6.5556 7.7219 7.7219 9.0789 9.0789 10.5938 10.5938 k = 0.5000 0.1372 0.0832 ( 9148 PWs) bands (ev): -41.7946 -41.7946 -41.7926 -41.7926 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6361 -7.6361 -1.7309 -1.7309 -0.3914 -0.3914 -0.3063 -0.3063 1.7284 1.7284 3.7770 3.7770 3.7867 3.7867 6.5530 6.5530 7.7208 7.7208 9.0790 9.0790 10.5959 10.5964 k = 0.5000 0.1372 0.0832 ( 9148 PWs) bands (ev): -41.7946 -41.7946 -41.7926 -41.7926 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6361 -7.6361 -1.7309 -1.7309 -0.3914 -0.3914 -0.3063 -0.3063 1.7284 1.7284 3.7770 3.7770 3.7867 3.7867 6.5530 6.5530 7.7208 7.7208 9.0790 9.0790 10.5963 10.5966 k = 0.4792 0.1315 0.0797 ( 9142 PWs) bands (ev): -41.7946 -41.7946 -41.7925 -41.7925 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6361 -7.6361 -1.7317 -1.7317 -0.3914 -0.3914 -0.3063 -0.3063 1.7307 1.7307 3.7770 3.7770 3.7868 3.7868 6.5485 6.5485 7.7228 7.7228 9.0802 9.0802 10.5948 10.5950 k = 0.4583 0.1258 0.0763 ( 9148 PWs) bands (ev): -41.7946 -41.7946 -41.7925 -41.7925 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6359 -7.6359 -1.7344 -1.7344 -0.3914 -0.3914 -0.3064 -0.3064 1.7377 1.7377 3.7773 3.7773 3.7870 3.7870 6.5354 6.5354 7.7287 7.7287 9.0839 9.0839 10.5910 10.5914 k = 0.4375 0.1201 0.0728 ( 9130 PWs) bands (ev): -41.7946 -41.7946 -41.7925 -41.7925 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6356 -7.6356 -1.7387 -1.7387 -0.3914 -0.3914 -0.3064 -0.3064 1.7491 1.7491 3.7777 3.7777 3.7874 3.7874 6.5141 6.5141 7.7380 7.7380 9.0899 9.0899 10.5851 10.5854 k = 0.4167 0.1143 0.0693 ( 9130 PWs) bands (ev): -41.7946 -41.7946 -41.7925 -41.7925 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6353 -7.6353 -1.7446 -1.7446 -0.3915 -0.3915 -0.3064 -0.3064 1.7650 1.7650 3.7782 3.7782 3.7880 3.7880 6.4852 6.4852 7.7502 7.7502 9.0983 9.0983 10.5770 10.5772 k = 0.3958 0.1086 0.0659 ( 9136 PWs) bands (ev): -41.7947 -41.7947 -41.7924 -41.7924 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6349 -7.6349 -1.7520 -1.7520 -0.3916 -0.3916 -0.3065 -0.3065 1.7850 1.7850 3.7789 3.7789 3.7887 3.7887 6.4498 6.4498 7.7645 7.7645 9.1090 9.1090 10.5667 10.5668 k = 0.3750 0.1029 0.0624 ( 9136 PWs) bands (ev): -41.7947 -41.7947 -41.7924 -41.7924 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6343 -7.6343 -1.7607 -1.7607 -0.3916 -0.3916 -0.3065 -0.3065 1.8088 1.8088 3.7798 3.7798 3.7895 3.7895 6.4087 6.4087 7.7801 7.7801 9.1220 9.1220 10.5545 10.5548 k = 0.3542 0.0972 0.0589 ( 9136 PWs) bands (ev): -41.7947 -41.7947 -41.7924 -41.7924 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6337 -7.6337 -1.7705 -1.7705 -0.3917 -0.3917 -0.3066 -0.3066 1.8361 1.8361 3.7807 3.7807 3.7905 3.7905 6.3629 6.3629 7.7965 7.7965 9.1370 9.1370 10.5411 10.5414 k = 0.3333 0.0915 0.0555 ( 9136 PWs) bands (ev): -41.7948 -41.7948 -41.7923 -41.7923 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6331 -7.6331 -1.7812 -1.7812 -0.3918 -0.3918 -0.3066 -0.3066 1.8665 1.8665 3.7818 3.7818 3.7916 3.7916 6.3134 6.3134 7.8130 7.8130 9.1539 9.1539 10.5260 10.5265 k = 0.3125 0.0858 0.0520 ( 9139 PWs) bands (ev): -41.7948 -41.7948 -41.7923 -41.7923 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6324 -7.6324 -1.7927 -1.7927 -0.3919 -0.3919 -0.3067 -0.3067 1.8995 1.8995 3.7829 3.7829 3.7927 3.7927 6.2612 6.2612 7.8291 7.8291 9.1725 9.1725 10.5101 10.5107 k = 0.2917 0.0800 0.0485 ( 9151 PWs) bands (ev): -41.7949 -41.7949 -41.7922 -41.7922 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6316 -7.6316 -1.8047 -1.8047 -0.3920 -0.3920 -0.3068 -0.3068 1.9347 1.9347 3.7841 3.7841 3.7939 3.7939 6.2071 6.2071 7.8444 7.8444 9.1926 9.1926 10.4937 10.4938 k = 0.2708 0.0743 0.0451 ( 9139 PWs) bands (ev): -41.7949 -41.7949 -41.7922 -41.7922 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6309 -7.6309 -1.8170 -1.8170 -0.3921 -0.3921 -0.3069 -0.3069 1.9716 1.9716 3.7854 3.7854 3.7952 3.7952 6.1520 6.1520 7.8586 7.8586 9.2139 9.2139 10.4770 10.4774 k = 0.2500 0.0686 0.0416 ( 9139 PWs) bands (ev): -41.7950 -41.7950 -41.7921 -41.7921 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6301 -7.6301 -1.8293 -1.8293 -0.3923 -0.3923 -0.3069 -0.3069 2.0095 2.0095 3.7866 3.7866 3.7965 3.7965 6.0966 6.0966 7.8716 7.8716 9.2359 9.2359 10.4602 10.4604 k = 0.2292 0.0629 0.0381 ( 9121 PWs) bands (ev): -41.7950 -41.7950 -41.7921 -41.7921 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6293 -7.6293 -1.8416 -1.8416 -0.3924 -0.3924 -0.3070 -0.3070 2.0478 2.0478 3.7879 3.7879 3.7978 3.7978 6.0419 6.0419 7.8833 7.8833 9.2584 9.2584 10.4434 10.4439 k = 0.2083 0.0572 0.0347 ( 9100 PWs) bands (ev): -41.7951 -41.7951 -41.7920 -41.7920 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6285 -7.6285 -1.8534 -1.8534 -0.3925 -0.3925 -0.3071 -0.3071 2.0860 2.0860 3.7891 3.7891 3.7990 3.7990 5.9884 5.9884 7.8936 7.8936 9.2809 9.2809 10.4275 10.4278 k = 0.1875 0.0515 0.0312 ( 9094 PWs) bands (ev): -41.7951 -41.7951 -41.7920 -41.7920 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6278 -7.6278 -1.8648 -1.8648 -0.3926 -0.3926 -0.3072 -0.3072 2.1233 2.1233 3.7903 3.7903 3.8003 3.8003 5.9371 5.9371 7.9026 7.9026 9.3030 9.3030 10.4122 10.4125 k = 0.1667 0.0457 0.0277 ( 9100 PWs) bands (ev): -41.7951 -41.7951 -41.7919 -41.7919 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6270 -7.6270 -1.8755 -1.8755 -0.3927 -0.3927 -0.3072 -0.3072 2.1592 2.1592 3.7915 3.7915 3.8014 3.8014 5.8886 5.8886 7.9103 7.9103 9.3242 9.3242 10.3976 10.3981 k = 0.1458 0.0400 0.0243 ( 9100 PWs) bands (ev): -41.7952 -41.7952 -41.7919 -41.7919 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6264 -7.6264 -1.8852 -1.8852 -0.3927 -0.3927 -0.3073 -0.3073 2.1929 2.1929 3.7925 3.7925 3.8025 3.8025 5.8436 5.8436 7.9168 7.9168 9.3442 9.3442 10.3847 10.3850 k = 0.1250 0.0343 0.0208 ( 9112 PWs) bands (ev): -41.7952 -41.7952 -41.7919 -41.7919 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6258 -7.6258 -1.8940 -1.8940 -0.3928 -0.3928 -0.3074 -0.3074 2.2238 2.2238 3.7935 3.7935 3.8035 3.8035 5.8030 5.8030 7.9222 7.9222 9.3625 9.3625 10.3727 10.3732 k = 0.1042 0.0286 0.0173 ( 9122 PWs) bands (ev): -41.7952 -41.7952 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6253 -7.6253 -1.9017 -1.9017 -0.3929 -0.3929 -0.3074 -0.3074 2.2512 2.2512 3.7943 3.7943 3.8043 3.8043 5.7673 5.7673 7.9265 7.9265 9.3787 9.3787 10.3625 10.3629 k = 0.0833 0.0229 0.0139 ( 9140 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6248 -7.6248 -1.9081 -1.9081 -0.3930 -0.3930 -0.3075 -0.3075 2.2746 2.2746 3.7951 3.7951 3.8050 3.8050 5.7371 5.7371 7.9300 7.9300 9.3925 9.3925 10.3537 10.3543 k = 0.0625 0.0172 0.0104 ( 9152 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6245 -7.6245 -1.9131 -1.9131 -0.3930 -0.3930 -0.3075 -0.3075 2.2934 2.2934 3.7956 3.7956 3.8056 3.8056 5.7130 5.7130 7.9326 7.9326 9.4035 9.4035 10.3469 10.3476 k = 0.0417 0.0114 0.0069 ( 9158 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6242 -7.6242 -1.9168 -1.9168 -0.3930 -0.3930 -0.3075 -0.3075 2.3071 2.3071 3.7960 3.7960 3.8060 3.8060 5.6954 5.6954 7.9344 7.9344 9.4116 9.4116 10.3422 10.3426 k = 0.0208 0.0057 0.0035 ( 9152 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6240 -7.6240 -1.9190 -1.9190 -0.3931 -0.3931 -0.3075 -0.3075 2.3155 2.3155 3.7963 3.7963 3.8063 3.8063 5.6848 5.6848 7.9354 7.9354 9.4165 9.4165 10.3391 10.3395 k = 0.0000 0.0000 0.0000 ( 9137 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6240 -7.6240 -1.9198 -1.9198 -0.3931 -0.3931 -0.3075 -0.3075 2.3183 2.3183 3.7964 3.7964 3.8064 3.8064 5.6812 5.6812 7.9358 7.9358 9.4182 9.4182 10.3380 10.3387 k = 0.0000 0.0000 0.0000 ( 9137 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6240 -7.6240 -1.9198 -1.9198 -0.3931 -0.3931 -0.3075 -0.3075 2.3183 2.3183 3.7964 3.7964 3.8064 3.8064 5.6812 5.6812 7.9358 7.9358 9.4182 9.4182 10.3379 10.3387 k = 0.0058-0.0098-0.0187 ( 9147 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6964 -40.6964 -40.4325 -40.4325 -13.2325 -13.2325 -7.6239 -7.6239 -1.9194 -1.9194 -0.3948 -0.3948 -0.3093 -0.3093 2.3188 2.3188 3.7940 3.7940 3.8042 3.8042 5.6850 5.6850 7.9389 7.9389 9.4140 9.4140 10.3384 10.3404 k = 0.0116-0.0195-0.0375 ( 9149 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6963 -40.6963 -40.4326 -40.4326 -13.2315 -13.2315 -7.6236 -7.6236 -1.9181 -1.9181 -0.4003 -0.4003 -0.3144 -0.3144 2.3204 2.3204 3.7857 3.7857 3.7989 3.7989 5.6965 5.6965 7.9485 7.9485 9.4015 9.4015 10.3387 10.3387 k = 0.0174-0.0293-0.0562 ( 9157 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6960 -40.6960 -40.4329 -40.4329 -13.2299 -13.2299 -7.6230 -7.6230 -1.9160 -1.9160 -0.4099 -0.4099 -0.3222 -0.3222 2.3229 2.3229 3.7702 3.7702 3.7919 3.7919 5.7154 5.7154 7.9642 7.9642 9.3811 9.3811 10.3390 10.3390 k = 0.0232-0.0391-0.0749 ( 9143 PWs) bands (ev): -41.7953 -41.7953 -41.7918 -41.7918 -40.6955 -40.6955 -40.4333 -40.4333 -13.2275 -13.2275 -7.6223 -7.6223 -1.9131 -1.9131 -0.4243 -0.4243 -0.3320 -0.3320 2.3265 2.3265 3.7481 3.7481 3.7832 3.7832 5.7413 5.7413 7.9861 7.9861 9.3533 9.3533 10.3387 10.3387 k = 0.0290-0.0488-0.0936 ( 9139 PWs) bands (ev): -41.7952 -41.7952 -41.7918 -41.7918 -40.6950 -40.6950 -40.4338 -40.4338 -13.2245 -13.2245 -7.6214 -7.6214 -1.9093 -1.9093 -0.4442 -0.4442 -0.3428 -0.3428 2.3311 2.3311 3.7201 3.7201 3.7725 3.7725 5.7737 5.7737 8.0139 8.0139 9.3189 9.3189 10.3376 10.3376 k = 0.0348-0.0586-0.1124 ( 9135 PWs) bands (ev): -41.7952 -41.7952 -41.7917 -41.7917 -40.6944 -40.6944 -40.4345 -40.4345 -13.2209 -13.2209 -7.6202 -7.6202 -1.9048 -1.9048 -0.4700 -0.4700 -0.3541 -0.3541 2.3367 2.3367 3.6870 3.6870 3.7597 3.7597 5.8120 5.8120 8.0475 8.0475 9.2786 9.2786 10.3352 10.3352 k = 0.0406-0.0683-0.1311 ( 9129 PWs) bands (ev): -41.7952 -41.7952 -41.7917 -41.7917 -40.6936 -40.6936 -40.4352 -40.4352 -13.2166 -13.2166 -7.6189 -7.6189 -1.8995 -1.8995 -0.5015 -0.5015 -0.3657 -0.3657 2.3433 2.3433 3.6492 3.6492 3.7448 3.7448 5.8557 5.8557 8.0866 8.0866 9.2332 9.2332 10.3311 10.3311 k = 0.0464-0.0781-0.1498 ( 9121 PWs) bands (ev): -41.7951 -41.7951 -41.7917 -41.7917 -40.6927 -40.6927 -40.4361 -40.4361 -13.2117 -13.2117 -7.6174 -7.6174 -1.8933 -1.8933 -0.5382 -0.5382 -0.3778 -0.3778 2.3508 2.3508 3.6074 3.6074 3.7279 3.7279 5.9042 5.9042 8.1308 8.1308 9.1834 9.1834 10.3250 10.3250 k = 0.0522-0.0879-0.1685 ( 9111 PWs) bands (ev): -41.7951 -41.7951 -41.7917 -41.7917 -40.6917 -40.6917 -40.4370 -40.4370 -13.2062 -13.2062 -7.6156 -7.6156 -1.8864 -1.8864 -0.5798 -0.5798 -0.3903 -0.3903 2.3592 2.3592 3.5622 3.5622 3.7091 3.7091 5.9570 5.9570 8.1800 8.1800 9.1299 9.1299 10.3169 10.3169 k = 0.0580-0.0976-0.1873 ( 9107 PWs) bands (ev): -41.7950 -41.7950 -41.7917 -41.7917 -40.6906 -40.6906 -40.4381 -40.4381 -13.2001 -13.2001 -7.6137 -7.6137 -1.8788 -1.8788 -0.6256 -0.6256 -0.4036 -0.4036 2.3686 2.3686 3.5141 3.5141 3.6885 3.6885 6.0134 6.0134 8.2337 8.2337 9.0733 9.0733 10.3065 10.3065 k = 0.0637-0.1074-0.2060 ( 9099 PWs) bands (ev): -41.7950 -41.7950 -41.7916 -41.7916 -40.6894 -40.6894 -40.4392 -40.4392 -13.1934 -13.1934 -7.6117 -7.6117 -1.8705 -1.8705 -0.6751 -0.6751 -0.4178 -0.4178 2.3788 2.3788 3.4635 3.4635 3.6662 3.6662 6.0729 6.0729 8.2917 8.2917 9.0142 9.0142 10.2939 10.2939 k = 0.0695-0.1172-0.2247 ( 9107 PWs) bands (ev): -41.7949 -41.7949 -41.7916 -41.7916 -40.6881 -40.6881 -40.4405 -40.4405 -13.1862 -13.1862 -7.6094 -7.6094 -1.8614 -1.8614 -0.7278 -0.7278 -0.4329 -0.4329 2.3898 2.3898 3.4110 3.4110 3.6423 3.6423 6.1352 6.1352 8.3536 8.3536 8.9531 8.9531 10.2792 10.2792 k = 0.0753-0.1269-0.2434 ( 9099 PWs) bands (ev): -41.7949 -41.7949 -41.7916 -41.7916 -40.6866 -40.6866 -40.4419 -40.4419 -13.1784 -13.1784 -7.6070 -7.6070 -1.8517 -1.8517 -0.7833 -0.7833 -0.4490 -0.4490 2.4016 2.4016 3.3569 3.3569 3.6169 3.6169 6.1998 6.1998 8.4190 8.4190 8.8905 8.8905 10.2624 10.2624 k = 0.0811-0.1367-0.2622 ( 9097 PWs) bands (ev): -41.7948 -41.7948 -41.7916 -41.7916 -40.6851 -40.6851 -40.4434 -40.4434 -13.1702 -13.1702 -7.6045 -7.6045 -1.8414 -1.8414 -0.8411 -0.8411 -0.4663 -0.4663 2.4142 2.4142 3.3016 3.3016 3.5903 3.5903 6.2664 6.2664 8.4877 8.4877 8.8268 8.8268 10.2438 10.2438 k = 0.0869-0.1465-0.2809 ( 9093 PWs) bands (ev): -41.7947 -41.7947 -41.7915 -41.7915 -40.6835 -40.6835 -40.4450 -40.4450 -13.1614 -13.1614 -7.6018 -7.6018 -1.8305 -1.8305 -0.9008 -0.9008 -0.4847 -0.4847 2.4275 2.4275 3.2455 3.2455 3.5624 3.5624 6.3346 6.3346 8.5592 8.5592 8.7623 8.7623 10.2235 10.2235 k = 0.0927-0.1562-0.2996 ( 9105 PWs) bands (ev): -41.7946 -41.7946 -41.7915 -41.7915 -40.6817 -40.6817 -40.4467 -40.4467 -13.1523 -13.1523 -7.5990 -7.5990 -1.8190 -1.8190 -0.9620 -0.9620 -0.5042 -0.5042 2.4414 2.4414 3.1889 3.1889 3.5335 3.5335 6.4043 6.4043 8.6331 8.6331 8.6976 8.6976 10.2018 10.2018 k = 0.0985-0.1660-0.3183 ( 9097 PWs) bands (ev): -41.7946 -41.7946 -41.7915 -41.7915 -40.6799 -40.6799 -40.4485 -40.4485 -13.1427 -13.1427 -7.5960 -7.5960 -1.8070 -1.8070 -1.0243 -1.0243 -0.5249 -0.5249 2.4558 2.4558 3.1320 3.1320 3.5038 3.5038 6.4751 6.4751 8.6319 8.6319 8.7102 8.7102 10.1789 10.1789 k = 0.1043-0.1758-0.3371 ( 9103 PWs) bands (ev): -41.7945 -41.7945 -41.7914 -41.7914 -40.6779 -40.6779 -40.4503 -40.4503 -13.1327 -13.1327 -7.5930 -7.5930 -1.7945 -1.7945 -1.0873 -1.0873 -0.5467 -0.5467 2.4708 2.4708 3.0752 3.0752 3.4734 3.4734 6.5469 6.5469 8.5671 8.5671 8.7885 8.7885 10.1551 10.1551 k = 0.1101-0.1855-0.3558 ( 9097 PWs) bands (ev): -41.7944 -41.7944 -41.7914 -41.7914 -40.6759 -40.6759 -40.4523 -40.4523 -13.1224 -13.1224 -7.5898 -7.5898 -1.7816 -1.7816 -1.1508 -1.1508 -0.5697 -0.5697 2.4862 2.4862 3.0187 3.0187 3.4424 3.4424 6.6195 6.6195 8.5024 8.5024 8.8687 8.8687 10.1306 10.1306 k = 0.1159-0.1953-0.3745 ( 9097 PWs) bands (ev): -41.7943 -41.7943 -41.7914 -41.7914 -40.6738 -40.6738 -40.4544 -40.4544 -13.1118 -13.1118 -7.5866 -7.5866 -1.7684 -1.7684 -1.2142 -1.2142 -0.5939 -0.5939 2.5019 2.5019 2.9626 2.9626 3.4110 3.4110 6.6929 6.6929 8.4383 8.4383 8.9505 8.9505 10.1058 10.1058 k = 0.1217-0.2050-0.3932 ( 9103 PWs) bands (ev): -41.7942 -41.7942 -41.7914 -41.7914 -40.6716 -40.6716 -40.4565 -40.4565 -13.1009 -13.1009 -7.5833 -7.5833 -1.7548 -1.7548 -1.2774 -1.2774 -0.6192 -0.6192 2.5178 2.5178 2.9073 2.9073 3.3794 3.3794 6.7668 6.7668 8.3749 8.3749 9.0336 9.0336 10.0810 10.0810 k = 0.1275-0.2148-0.4120 ( 9101 PWs) bands (ev): -41.7941 -41.7941 -41.7913 -41.7913 -40.6693 -40.6693 -40.4588 -40.4588 -13.0897 -13.0897 -7.5800 -7.5800 -1.7411 -1.7411 -1.3400 -1.3400 -0.6457 -0.6457 2.5338 2.5338 2.8528 2.8528 3.3478 3.3478 6.8413 6.8413 8.3123 8.3123 9.1179 9.1179 10.0564 10.0564 k = 0.1333-0.2246-0.4307 ( 9101 PWs) bands (ev): -41.7940 -41.7940 -41.7913 -41.7913 -40.6669 -40.6669 -40.4611 -40.4611 -13.0784 -13.0784 -7.5766 -7.5766 -1.7273 -1.7273 -1.4016 -1.4016 -0.6733 -0.6733 2.5498 2.5498 2.7995 2.7995 3.3164 3.3164 6.9162 6.9162 8.2508 8.2508 9.2032 9.2032 10.0324 10.0324 k = 0.1391-0.2343-0.4494 ( 9091 PWs) bands (ev): -41.7939 -41.7939 -41.7913 -41.7913 -40.6645 -40.6645 -40.4634 -40.4634 -13.0668 -13.0668 -7.5731 -7.5731 -1.7138 -1.7138 -1.4618 -1.4618 -0.7020 -0.7020 2.5655 2.5655 2.7473 2.7473 3.2855 3.2855 6.9915 6.9915 8.1904 8.1904 9.2892 9.2892 10.0092 10.0092 k = 0.1449-0.2441-0.4681 ( 9101 PWs) bands (ev): -41.7938 -41.7938 -41.7912 -41.7912 -40.6619 -40.6619 -40.4659 -40.4659 -13.0552 -13.0552 -7.5696 -7.5696 -1.7009 -1.7009 -1.5199 -1.5199 -0.7317 -0.7317 2.5809 2.5809 2.6965 2.6965 3.2552 3.2552 7.0672 7.0672 8.1313 8.1313 9.3758 9.3758 9.9872 9.9872 k = 0.1507-0.2539-0.4869 ( 9101 PWs) bands (ev): -41.7937 -41.7937 -41.7912 -41.7912 -40.6593 -40.6593 -40.4685 -40.4685 -13.0434 -13.0434 -7.5661 -7.5661 -1.6905 -1.6905 -1.5740 -1.5740 -0.7625 -0.7625 2.5955 2.5955 2.6473 2.6473 3.2258 3.2258 7.1433 7.1433 8.0737 8.0737 9.4628 9.4628 9.9665 9.9665 k = 0.1565-0.2636-0.5056 ( 9107 PWs) bands (ev): -41.7936 -41.7936 -41.7912 -41.7912 -40.6567 -40.6567 -40.4711 -40.4711 -13.0316 -13.0316 -7.5627 -7.5627 -1.6895 -1.6895 -1.6169 -1.6169 -0.7943 -0.7943 2.5987 2.5987 2.6103 2.6103 3.1976 3.1976 7.2196 7.2196 8.0175 8.0175 9.5498 9.5498 9.9474 9.9474 k = 0.1623-0.2734-0.5243 ( 9103 PWs) bands (ev): -41.7935 -41.7935 -41.7912 -41.7912 -40.6539 -40.6539 -40.4737 -40.4737 -13.0199 -13.0199 -7.5592 -7.5592 -1.7155 -1.7155 -1.6309 -1.6309 -0.8271 -0.8271 2.5534 2.5534 2.6224 2.6224 3.1710 3.1710 7.2963 7.2963 7.9630 7.9630 9.6358 9.6358 9.9302 9.9302 k = 0.1681-0.2832-0.5430 ( 9103 PWs) bands (ev): -41.7934 -41.7934 -41.7911 -41.7911 -40.6512 -40.6512 -40.4765 -40.4765 -13.0081 -13.0081 -7.5557 -7.5557 -1.7601 -1.7601 -1.6245 -1.6245 -0.8607 -0.8607 2.5093 2.5093 2.6335 2.6335 3.1463 3.1463 7.3732 7.3732 7.9102 7.9102 9.7189 9.7189 9.9152 9.9152 k = 0.1739-0.2929-0.5618 ( 9103 PWs) bands (ev): -41.7933 -41.7933 -41.7911 -41.7911 -40.6483 -40.6483 -40.4792 -40.4792 -12.9964 -12.9964 -7.5523 -7.5523 -1.8078 -1.8078 -1.6128 -1.6128 -0.8952 -0.8952 2.4672 2.4672 2.6426 2.6426 3.1240 3.1240 7.4503 7.4503 7.8593 7.8593 9.7918 9.7918 9.9025 9.9025 k = 0.1797-0.3027-0.5805 ( 9099 PWs) bands (ev): -41.7932 -41.7932 -41.7911 -41.7911 -40.6454 -40.6454 -40.4821 -40.4821 -12.9848 -12.9848 -7.5490 -7.5490 -1.8547 -1.8547 -1.5997 -1.5997 -0.9306 -0.9306 2.4270 2.4270 2.6495 2.6495 3.1044 3.1044 7.5275 7.5275 7.8103 7.8103 9.8241 9.8241 9.8923 9.8923 k = 0.1854-0.3124-0.5992 ( 9103 PWs) bands (ev): -41.7931 -41.7931 -41.7911 -41.7911 -40.6424 -40.6424 -40.4850 -40.4850 -12.9734 -12.9734 -7.5456 -7.5456 -1.8998 -1.8998 -1.5862 -1.5862 -0.9666 -0.9666 2.3889 2.3889 2.6536 2.6536 3.0880 3.0880 7.6049 7.6049 7.7635 7.7635 9.7772 9.7772 9.8846 9.8846 k = 0.1912-0.3222-0.6179 ( 9097 PWs) bands (ev): -41.7931 -41.7931 -41.7910 -41.7910 -40.6394 -40.6394 -40.4879 -40.4879 -12.9622 -12.9622 -7.5424 -7.5424 -1.9426 -1.9426 -1.5728 -1.5728 -1.0033 -1.0033 2.3530 2.3530 2.6546 2.6546 3.0752 3.0752 7.6821 7.6821 7.7190 7.7190 9.6900 9.6900 9.8797 9.8797 k = 0.1970-0.3320-0.6367 ( 9097 PWs) bands (ev): -41.7930 -41.7930 -41.7910 -41.7910 -40.6364 -40.6364 -40.4909 -40.4909 -12.9512 -12.9512 -7.5392 -7.5392 -1.9828 -1.9828 -1.5596 -1.5596 -1.0406 -1.0406 2.3193 2.3193 2.6523 2.6523 3.0660 3.0660 7.6760 7.6760 7.7601 7.7601 9.5908 9.5908 9.8778 9.8778 k = 0.2028-0.3417-0.6554 ( 9099 PWs) bands (ev): -41.7929 -41.7929 -41.7910 -41.7910 -40.6333 -40.6333 -40.4939 -40.4939 -12.9405 -12.9405 -7.5362 -7.5362 -2.0202 -2.0202 -1.5469 -1.5469 -1.0783 -1.0783 2.2879 2.2879 2.6467 2.6467 3.0605 3.0605 7.6361 7.6361 7.8374 7.8374 9.4870 9.4870 9.8790 9.8790 k = 0.2086-0.3515-0.6741 ( 9099 PWs) bands (ev): -41.7928 -41.7928 -41.7910 -41.7910 -40.6302 -40.6302 -40.4970 -40.4970 -12.9301 -12.9301 -7.5332 -7.5332 -2.0548 -2.0548 -1.5347 -1.5347 -1.1164 -1.1164 2.2587 2.2587 2.6381 2.6381 3.0585 3.0585 7.5987 7.5987 7.9145 7.9145 9.3806 9.3806 9.8833 9.8833 k = 0.2144-0.3613-0.6928 ( 9099 PWs) bands (ev): -41.7927 -41.7927 -41.7910 -41.7910 -40.6271 -40.6271 -40.5001 -40.5001 -12.9200 -12.9200 -7.5303 -7.5303 -2.0863 -2.0863 -1.5233 -1.5233 -1.1547 -1.1547 2.2320 2.2320 2.6267 2.6267 3.0595 3.0595 7.5638 7.5638 7.9913 7.9913 9.2730 9.2730 9.8908 9.8908 k = 0.2202-0.3710-0.7116 ( 9113 PWs) bands (ev): -41.7926 -41.7926 -41.7910 -41.7910 -40.6239 -40.6239 -40.5032 -40.5032 -12.9103 -12.9103 -7.5276 -7.5276 -2.1147 -2.1147 -1.5128 -1.5128 -1.1929 -1.1929 2.2076 2.2076 2.6130 2.6130 3.0632 3.0632 7.5318 7.5318 8.0675 8.0675 9.1647 9.1647 9.9016 9.9016 k = 0.2260-0.3808-0.7303 ( 9119 PWs) bands (ev): -41.7925 -41.7925 -41.7910 -41.7910 -40.6207 -40.6207 -40.5063 -40.5063 -12.9010 -12.9010 -7.5249 -7.5249 -2.1400 -2.1400 -1.5037 -1.5037 -1.2307 -1.2307 2.1856 2.1856 2.5976 2.5976 3.0689 3.0689 7.5027 7.5027 8.1430 8.1430 9.0562 9.0562 9.9157 9.9157 k = 0.2318-0.3906-0.7490 ( 9125 PWs) bands (ev): -41.7924 -41.7924 -41.7909 -41.7909 -40.6175 -40.6175 -40.5095 -40.5095 -12.8921 -12.8921 -7.5224 -7.5224 -2.1620 -2.1620 -1.4963 -1.4963 -1.2676 -1.2676 2.1661 2.1661 2.5808 2.5808 3.0762 3.0762 7.4766 7.4766 8.2174 8.2174 8.9479 8.9479 9.9332 9.9332 k = 0.2376-0.4003-0.7677 ( 9129 PWs) bands (ev): -41.7924 -41.7924 -41.7909 -41.7909 -40.6143 -40.6143 -40.5126 -40.5126 -12.8836 -12.8836 -7.5201 -7.5201 -2.1807 -2.1807 -1.4918 -1.4918 -1.3026 -1.3026 2.1490 2.1490 2.5631 2.5631 3.0846 3.0846 7.4537 7.4537 8.2904 8.2904 8.8403 8.8403 9.9539 9.9539 k = 0.2434-0.4101-0.7865 ( 9125 PWs) bands (ev): -41.7923 -41.7923 -41.7909 -41.7909 -40.6111 -40.6111 -40.5158 -40.5158 -12.8756 -12.8756 -7.5178 -7.5178 -2.1961 -2.1961 -1.4915 -1.4915 -1.3341 -1.3341 2.1344 2.1344 2.5449 2.5449 3.0937 3.0937 7.4340 7.4340 8.3611 8.3611 8.7341 8.7341 9.9780 9.9780 k = 0.2492-0.4199-0.8052 ( 9109 PWs) bands (ev): -41.7922 -41.7922 -41.7909 -41.7909 -40.6079 -40.6079 -40.5190 -40.5190 -12.8681 -12.8681 -7.5157 -7.5157 -2.2080 -2.2080 -1.4982 -1.4982 -1.3595 -1.3595 2.1223 2.1223 2.5263 2.5263 3.1032 3.1032 7.4179 7.4179 8.4271 8.4271 8.6316 8.6316 10.0054 10.0054 k = 0.2550-0.4296-0.8239 ( 9119 PWs) bands (ev): -41.7921 -41.7921 -41.7909 -41.7909 -40.6047 -40.6047 -40.5222 -40.5222 -12.8611 -12.8611 -7.5138 -7.5138 -2.2166 -2.2166 -1.5141 -1.5141 -1.3764 -1.3764 2.1126 2.1126 2.5078 2.5078 3.1128 3.1128 7.4052 7.4052 8.4658 8.4658 8.5552 8.5552 10.0360 10.0360 k = 0.2608-0.4394-0.8427 ( 9123 PWs) bands (ev): -41.7921 -41.7921 -41.7909 -41.7909 -40.6014 -40.6014 -40.5254 -40.5254 -12.8546 -12.8546 -7.5120 -7.5120 -2.2218 -2.2218 -1.5391 -1.5391 -1.3850 -1.3850 2.1053 2.1053 2.4894 2.4894 3.1223 3.1223 7.3963 7.3963 8.3982 8.3982 8.5835 8.5835 10.0698 10.0698 k = 0.2666-0.4491-0.8614 ( 9121 PWs) bands (ev): -41.7920 -41.7920 -41.7909 -41.7909 -40.5982 -40.5982 -40.5285 -40.5285 -12.8487 -12.8487 -7.5103 -7.5103 -2.2236 -2.2236 -1.5705 -1.5705 -1.3877 -1.3877 2.1005 2.1005 2.4712 2.4712 3.1315 3.1315 7.3911 7.3911 8.2994 8.2994 8.6413 8.6413 10.1068 10.1068 k = 0.2724-0.4589-0.8801 ( 9125 PWs) bands (ev): -41.7919 -41.7919 -41.7910 -41.7910 -40.5950 -40.5950 -40.5317 -40.5317 -12.8433 -12.8433 -7.5088 -7.5088 -2.2220 -2.2220 -1.6056 -1.6056 -1.3874 -1.3874 2.0982 2.0982 2.4534 2.4534 3.1403 3.1403 7.3898 7.3898 8.1982 8.1982 8.6992 8.6992 10.1468 10.1468 k = 0.2782-0.4687-0.8988 ( 9123 PWs) bands (ev): -41.7919 -41.7919 -41.7910 -41.7910 -40.5919 -40.5919 -40.5349 -40.5349 -12.8384 -12.8384 -7.5075 -7.5075 -2.2170 -2.2170 -1.6427 -1.6427 -1.3856 -1.3856 2.0982 2.0982 2.4361 2.4361 3.1485 3.1485 7.3925 7.3925 8.0973 8.0973 8.7541 8.7541 10.1898 10.1898 k = 0.2840-0.4784-0.9176 ( 9119 PWs) bands (ev): -41.7918 -41.7918 -41.7910 -41.7910 -40.5887 -40.5887 -40.5380 -40.5380 -12.8340 -12.8340 -7.5063 -7.5063 -2.2088 -2.2088 -1.6809 -1.6809 -1.3831 -1.3831 2.1005 2.1005 2.4193 2.4193 3.1561 3.1561 7.3993 7.3993 7.9973 7.9973 8.8050 8.8050 10.2356 10.2356 k = 0.2898-0.4882-0.9363 ( 9111 PWs) bands (ev): -41.7918 -41.7918 -41.7910 -41.7910 -40.5856 -40.5856 -40.5411 -40.5411 -12.8302 -12.8302 -7.5052 -7.5052 -2.1972 -2.1972 -1.7195 -1.7195 -1.3806 -1.3806 2.1052 2.1052 2.4031 2.4031 3.1630 3.1630 7.4102 7.4102 7.8986 7.8986 8.8512 8.8512 10.2842 10.2842 k = 0.2956-0.4980-0.9550 ( 9113 PWs) bands (ev): -41.7917 -41.7917 -41.7910 -41.7910 -40.5825 -40.5825 -40.5442 -40.5442 -12.8269 -12.8269 -7.5043 -7.5043 -2.1825 -2.1825 -1.7582 -1.7582 -1.3783 -1.3783 2.1121 2.1121 2.3874 2.3874 3.1691 3.1691 7.4254 7.4254 7.8012 7.8012 8.8921 8.8921 10.3353 10.3353 k = 0.3013-0.5077-0.9737 ( 9107 PWs) bands (ev): -41.7917 -41.7917 -41.7910 -41.7910 -40.5794 -40.5794 -40.5472 -40.5472 -12.8241 -12.8241 -7.5036 -7.5036 -2.1646 -2.1646 -1.7967 -1.7967 -1.3763 -1.3763 2.1213 2.1213 2.3723 2.3723 3.1745 3.1745 7.4447 7.4447 7.7052 7.7052 8.9274 8.9274 10.3887 10.3887 k = 0.3071-0.5175-0.9925 ( 9109 PWs) bands (ev): -41.7916 -41.7916 -41.7910 -41.7910 -40.5764 -40.5764 -40.5502 -40.5502 -12.8219 -12.8219 -7.5029 -7.5029 -2.1439 -2.1439 -1.8348 -1.8348 -1.3748 -1.3748 2.1326 2.1326 2.3578 2.3578 3.1790 3.1790 7.4684 7.4684 7.6106 7.6106 8.9569 8.9569 10.4442 10.4443 k = 0.3129-0.5273-1.0112 ( 9111 PWs) bands (ev): -41.7916 -41.7916 -41.7911 -41.7911 -40.5734 -40.5734 -40.5532 -40.5532 -12.8201 -12.8201 -7.5025 -7.5025 -2.1204 -2.1204 -1.8722 -1.8722 -1.3737 -1.3737 2.1460 2.1460 2.3440 2.3440 3.1827 3.1827 7.4960 7.4960 7.5179 7.5179 8.9804 8.9804 10.5013 10.5013 k = 0.3187-0.5370-1.0299 ( 9109 PWs) bands (ev): -41.7916 -41.7916 -41.7911 -41.7911 -40.5705 -40.5705 -40.5561 -40.5561 -12.8188 -12.8188 -7.5021 -7.5021 -2.0947 -2.0947 -1.9085 -1.9085 -1.3731 -1.3731 2.1614 2.1614 2.3307 2.3307 3.1857 3.1857 7.4259 7.4259 7.5287 7.5287 8.9979 8.9979 10.5583 10.5583 k = 0.3245-0.5468-1.0486 ( 9115 PWs) bands (ev): -41.7915 -41.7915 -41.7911 -41.7911 -40.5676 -40.5676 -40.5590 -40.5590 -12.8179 -12.8179 -7.5019 -7.5019 -2.0680 -2.0680 -1.9423 -1.9423 -1.3730 -1.3730 2.1788 2.1788 2.3180 2.3180 3.1879 3.1879 7.3359 7.3359 7.5653 7.5653 9.0096 9.0096 10.5820 10.5820 k = 0.3303-0.5565-1.0674 ( 9129 PWs) bands (ev): -41.7915 -41.7915 -41.7911 -41.7911 -40.5648 -40.5648 -40.5619 -40.5619 -12.8175 -12.8175 -7.5018 -7.5018 -2.0454 -2.0454 -1.9687 -1.9687 -1.3734 -1.3734 2.1980 2.1980 2.3058 2.3058 3.1893 3.1893 7.2474 7.2474 7.6061 7.6061 9.0158 9.0158 10.5703 10.5703 k = 0.3361-0.5663-1.0861 ( 9129 PWs) bands (ev): -41.7915 -41.7915 -41.7912 -41.7912 -40.5646 -40.5646 -40.5620 -40.5620 -12.8175 -12.8175 -7.5018 -7.5018 -2.0454 -2.0454 -1.9693 -1.9693 -1.3742 -1.3742 2.2189 2.2189 2.2942 2.2942 3.1901 3.1901 7.1605 7.1605 7.6512 7.6512 9.0169 9.0169 10.5494 10.5494 k = 0.3419-0.5761-1.1048 ( 9131 PWs) bands (ev): -41.7915 -41.7915 -41.7912 -41.7912 -40.5674 -40.5674 -40.5593 -40.5593 -12.8179 -12.8179 -7.5019 -7.5019 -2.0698 -2.0698 -1.9423 -1.9423 -1.3755 -1.3755 2.2415 2.2415 2.2832 2.2832 3.1902 3.1902 7.0751 7.0751 7.7004 7.7004 9.0132 9.0132 10.5183 10.5183 k = 0.6581-0.4389-1.0216 ( 9131 PWs) bands (ev): -41.7915 -41.7915 -41.7912 -41.7912 -40.5674 -40.5674 -40.5593 -40.5593 -12.8179 -12.8179 -7.5019 -7.5019 -2.0698 -2.0698 -1.9423 -1.9423 -1.3755 -1.3755 2.2415 2.2415 2.2832 2.2832 3.1902 3.1902 7.0751 7.0751 7.7004 7.7004 9.0132 9.0132 10.5183 10.5183 k = 0.6524-0.4183-1.0216 ( 9129 PWs) bands (ev): -41.7914 -41.7914 -41.7912 -41.7912 -40.5699 -40.5699 -40.5567 -40.5567 -12.8186 -12.8186 -7.5021 -7.5021 -2.0998 -2.0998 -1.9068 -1.9068 -1.3771 -1.3771 2.2643 2.2643 2.2736 2.2736 3.1897 3.1897 6.9934 6.9934 7.7524 7.7524 9.0055 9.0055 10.4767 10.4767 k = 0.6468-0.3977-1.0216 ( 9125 PWs) bands (ev): -41.7914 -41.7914 -41.7912 -41.7912 -40.5725 -40.5725 -40.5542 -40.5542 -12.8196 -12.8196 -7.5024 -7.5024 -2.1308 -2.1308 -1.8675 -1.8675 -1.3790 -1.3790 2.2626 2.2626 2.2904 2.2904 3.1887 3.1887 6.9133 6.9133 7.8082 7.8082 8.9942 8.9942 10.4236 10.4236 k = 0.6411-0.3771-1.0216 ( 9125 PWs) bands (ev): -41.7914 -41.7914 -41.7913 -41.7913 -40.5749 -40.5749 -40.5517 -40.5517 -12.8209 -12.8209 -7.5027 -7.5027 -2.1617 -2.1617 -1.8257 -1.8257 -1.3813 -1.3813 2.2533 2.2533 2.3164 2.3164 3.1872 3.1872 6.8347 6.8347 7.8677 7.8677 8.9797 8.9797 10.3589 10.3589 k = 0.6355-0.3566-1.0216 ( 9131 PWs) bands (ev): -41.7914 -41.7914 -41.7913 -41.7913 -40.5773 -40.5773 -40.5493 -40.5493 -12.8225 -12.8225 -7.5032 -7.5032 -2.1920 -2.1920 -1.7820 -1.7820 -1.3837 -1.3837 2.2443 2.2443 2.3437 2.3437 3.1854 3.1854 6.7575 6.7575 7.9308 7.9308 8.9623 8.9623 10.2838 10.2838 k = 0.6299-0.3360-1.0216 ( 9131 PWs) bands (ev): -41.7914 -41.7914 -41.7913 -41.7913 -40.5796 -40.5796 -40.5470 -40.5470 -12.8243 -12.8243 -7.5037 -7.5037 -2.2215 -2.2215 -1.7367 -1.7367 -1.3863 -1.3863 2.2358 2.2358 2.3720 2.3720 3.1832 3.1832 6.6820 6.6820 7.9976 7.9976 8.9425 8.9425 10.1997 10.1997 k = 0.6242-0.3154-1.0216 ( 9131 PWs) bands (ev): -41.7914 -41.7914 -41.7914 -41.7914 -40.5819 -40.5819 -40.5448 -40.5448 -12.8263 -12.8263 -7.5042 -7.5042 -2.2502 -2.2502 -1.6902 -1.6902 -1.3890 -1.3890 2.2276 2.2276 2.4011 2.4011 3.1807 3.1807 6.6080 6.6080 8.0677 8.0677 8.9207 8.9207 10.1083 10.1083 k = 0.6186-0.2949-1.0216 ( 9125 PWs) bands (ev): -41.7914 -41.7914 -41.7914 -41.7914 -40.5840 -40.5840 -40.5427 -40.5427 -12.8284 -12.8284 -7.5048 -7.5048 -2.2778 -2.2778 -1.6429 -1.6429 -1.3917 -1.3917 2.2198 2.2198 2.4309 2.4309 3.1779 3.1779 6.5357 6.5357 8.1411 8.1411 8.8971 8.8971 10.0114 10.0114 k = 0.6129-0.2743-1.0216 ( 9129 PWs) bands (ev): -41.7914 -41.7914 -41.7913 -41.7913 -40.5861 -40.5861 -40.5406 -40.5406 -12.8307 -12.8307 -7.5054 -7.5054 -2.3045 -2.3045 -1.5953 -1.5953 -1.3940 -1.3940 2.2123 2.2123 2.4613 2.4613 3.1750 3.1750 6.4650 6.4650 8.2177 8.2177 8.8720 8.8720 9.9109 9.9109 k = 0.6073-0.2537-1.0216 ( 9127 PWs) bands (ev): -41.7915 -41.7915 -41.7913 -41.7913 -40.5881 -40.5881 -40.5386 -40.5386 -12.8331 -12.8331 -7.5061 -7.5061 -2.3301 -2.3301 -1.5479 -1.5479 -1.3956 -1.3956 2.2052 2.2052 2.4921 2.4921 3.1719 3.1719 6.3961 6.3961 8.2973 8.2973 8.8458 8.8458 9.8084 9.8084 k = 0.6016-0.2331-1.0216 ( 9127 PWs) bands (ev): -41.7915 -41.7915 -41.7913 -41.7913 -40.5900 -40.5900 -40.5367 -40.5367 -12.8356 -12.8356 -7.5068 -7.5068 -2.3546 -2.3546 -1.5024 -1.5024 -1.3952 -1.3952 2.1985 2.1985 2.5230 2.5230 3.1687 3.1687 6.3289 6.3289 8.3797 8.3797 8.8186 8.8186 9.7053 9.7053 k = 0.5960-0.2126-1.0216 ( 9129 PWs) bands (ev): -41.7915 -41.7915 -41.7913 -41.7913 -40.5918 -40.5918 -40.5349 -40.5349 -12.8381 -12.8381 -7.5075 -7.5075 -2.3779 -2.3779 -1.4629 -1.4629 -1.3887 -1.3887 2.1921 2.1921 2.5541 2.5541 3.1655 3.1655 6.2637 6.2637 8.4649 8.4649 8.7907 8.7907 9.6029 9.6029 k = 0.5903-0.1920-1.0216 ( 9135 PWs) bands (ev): -41.7916 -41.7916 -41.7913 -41.7913 -40.5936 -40.5936 -40.5332 -40.5332 -12.8407 -12.8407 -7.5082 -7.5082 -2.4001 -2.4001 -1.4391 -1.4391 -1.3669 -1.3669 2.1860 2.1860 2.5849 2.5849 3.1623 3.1623 6.2005 6.2005 8.5525 8.5525 8.7624 8.7624 9.5024 9.5024 k = 0.5847-0.1714-1.0216 ( 9136 PWs) bands (ev): -41.7916 -41.7916 -41.7913 -41.7913 -40.5952 -40.5952 -40.5316 -40.5316 -12.8432 -12.8432 -7.5089 -7.5089 -2.4210 -2.4210 -1.4317 -1.4317 -1.3294 -1.3294 2.1803 2.1803 2.6154 2.6154 3.1591 3.1591 6.1395 6.1395 8.6424 8.6424 8.7338 8.7338 9.4049 9.4049 k = 0.5790-0.1508-1.0216 ( 9134 PWs) bands (ev): -41.7916 -41.7916 -41.7913 -41.7913 -40.5967 -40.5967 -40.5300 -40.5300 -12.8457 -12.8457 -7.5096 -7.5096 -2.4407 -2.4407 -1.4309 -1.4309 -1.2861 -1.2861 2.1750 2.1750 2.6453 2.6453 3.1560 3.1560 6.0809 6.0809 8.7051 8.7051 8.7344 8.7344 9.3111 9.3111 k = 0.5734-0.1303-1.0216 ( 9132 PWs) bands (ev): -41.7916 -41.7916 -41.7913 -41.7913 -40.5982 -40.5982 -40.5286 -40.5286 -12.8482 -12.8482 -7.5102 -7.5102 -2.4592 -2.4592 -1.4322 -1.4322 -1.2418 -1.2418 2.1699 2.1699 2.6745 2.6745 3.1530 3.1530 6.0247 6.0247 8.6764 8.6764 8.8282 8.8282 9.2219 9.2219 k = 0.5678-0.1097-1.0216 ( 9128 PWs) bands (ev): -41.7917 -41.7917 -41.7913 -41.7913 -40.5995 -40.5995 -40.5273 -40.5273 -12.8506 -12.8506 -7.5109 -7.5109 -2.4763 -2.4763 -1.4344 -1.4344 -1.1982 -1.1982 2.1653 2.1653 2.7026 2.7026 3.1501 3.1501 5.9712 5.9712 8.6480 8.6480 8.9237 8.9237 9.1381 9.1381 k = 0.5621-0.0891-1.0216 ( 9122 PWs) bands (ev): -41.7917 -41.7917 -41.7913 -41.7913 -40.6008 -40.6008 -40.5261 -40.5261 -12.8528 -12.8528 -7.5115 -7.5115 -2.4922 -2.4922 -1.4368 -1.4368 -1.1561 -1.1561 2.1609 2.1609 2.7296 2.7296 3.1474 3.1474 5.9207 5.9207 8.6200 8.6200 9.0204 9.0204 9.0604 9.0604 k = 0.5565-0.0685-1.0216 ( 9130 PWs) bands (ev): -41.7917 -41.7917 -41.7913 -41.7913 -40.6019 -40.6019 -40.5249 -40.5249 -12.8550 -12.8550 -7.5121 -7.5121 -2.5067 -2.5067 -1.4393 -1.4393 -1.1161 -1.1161 2.1569 2.1569 2.7552 2.7552 3.1448 3.1448 5.8734 5.8734 8.5924 8.5924 8.9888 8.9888 9.1185 9.1185 k = 0.5508-0.0480-1.0216 ( 9134 PWs) bands (ev): -41.7917 -41.7917 -41.7913 -41.7913 -40.6029 -40.6029 -40.5239 -40.5239 -12.8570 -12.8570 -7.5127 -7.5127 -2.5199 -2.5199 -1.4417 -1.4417 -1.0785 -1.0785 2.1533 2.1533 2.7791 2.7791 3.1424 3.1424 5.8294 5.8294 8.5654 8.5654 8.9244 8.9244 9.2171 9.2171 k = 0.5452-0.0274-1.0216 ( 9132 PWs) bands (ev): -41.7917 -41.7917 -41.7913 -41.7913 -40.6039 -40.6039 -40.5230 -40.5230 -12.8588 -12.8588 -7.5132 -7.5132 -2.5318 -2.5318 -1.4440 -1.4440 -1.0438 -1.0438 2.1501 2.1501 2.8012 2.8012 3.1403 3.1403 5.7892 5.7892 8.5393 8.5393 8.8673 8.8673 9.3162 9.3162 k = 0.5395-0.0068-1.0216 ( 9130 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6047 -40.6047 -40.5222 -40.5222 -12.8605 -12.8605 -7.5136 -7.5136 -2.5423 -2.5423 -1.4461 -1.4461 -1.0122 -1.0122 2.1472 2.1472 2.8212 2.8212 3.1383 3.1383 5.7529 5.7529 8.5144 8.5144 8.8177 8.8177 9.4152 9.4152 k = 0.5339 0.0138-1.0216 ( 9124 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6054 -40.6054 -40.5215 -40.5215 -12.8620 -12.8620 -7.5140 -7.5140 -2.5514 -2.5514 -1.4480 -1.4480 -0.9842 -0.9842 2.1447 2.1447 2.8390 2.8390 3.1366 3.1366 5.7208 5.7208 8.4910 8.4910 8.7757 8.7757 9.5137 9.5137 k = 0.5282 0.0343-1.0216 ( 9124 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6060 -40.6060 -40.5209 -40.5209 -12.8633 -12.8633 -7.5144 -7.5144 -2.5591 -2.5591 -1.4497 -1.4497 -0.9600 -0.9600 2.1425 2.1425 2.8544 2.8544 3.1352 3.1352 5.6932 5.6932 8.4698 8.4698 8.7409 8.7409 9.6110 9.6110 k = 0.5226 0.0549-1.0216 ( 9122 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6065 -40.6065 -40.5204 -40.5204 -12.8643 -12.8643 -7.5147 -7.5147 -2.5655 -2.5655 -1.4511 -1.4511 -0.9398 -0.9398 2.1408 2.1408 2.8673 2.8673 3.1340 3.1340 5.6702 5.6702 8.4512 8.4512 8.7133 8.7133 9.7063 9.7063 k = 0.5169 0.0755-1.0216 ( 9130 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6069 -40.6069 -40.5200 -40.5200 -12.8651 -12.8651 -7.5149 -7.5149 -2.5704 -2.5704 -1.4521 -1.4521 -0.9239 -0.9239 2.1394 2.1394 2.8774 2.8774 3.1331 3.1331 5.6522 5.6522 8.4359 8.4359 8.6923 8.6923 9.7979 9.7979 k = 0.5113 0.0961-1.0216 ( 9126 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6072 -40.6072 -40.5197 -40.5197 -12.8657 -12.8657 -7.5151 -7.5151 -2.5739 -2.5739 -1.4529 -1.4529 -0.9124 -0.9124 2.1384 2.1384 2.8847 2.8847 3.1324 3.1324 5.6391 5.6391 8.4246 8.4246 8.6776 8.6776 9.8827 9.8827 k = 0.5056 0.1166-1.0216 ( 9126 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6073 -40.6073 -40.5195 -40.5195 -12.8661 -12.8661 -7.5152 -7.5152 -2.5761 -2.5761 -1.4534 -1.4534 -0.9054 -0.9054 2.1378 2.1378 2.8891 2.8891 3.1320 3.1320 5.6312 5.6312 8.4176 8.4176 8.6689 8.6689 9.9519 9.9519 k = 0.5000 0.1372-1.0216 ( 9128 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5152 -7.5152 -2.5768 -2.5768 -1.4536 -1.4536 -0.9031 -0.9031 2.1376 2.1376 2.8906 2.8906 3.1319 3.1319 5.6286 5.6286 8.4153 8.4153 8.6660 8.6660 9.9822 9.9822 k = 0.5000 0.1372-1.0216 ( 9128 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5152 -7.5152 -2.5768 -2.5768 -1.4536 -1.4536 -0.9031 -0.9031 2.1376 2.1376 2.8906 2.8906 3.1319 3.1319 5.6286 5.6286 8.4153 8.4153 8.6660 8.6660 9.9822 9.9822 k = 0.5176 0.1420-1.0124 ( 9124 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6074 -40.6074 -40.5195 -40.5195 -12.8663 -12.8663 -7.5152 -7.5152 -2.5766 -2.5766 -1.4534 -1.4534 -0.9030 -0.9030 2.1369 2.1369 2.8905 2.8905 3.1311 3.1311 5.6317 5.6317 8.4167 8.4167 8.6653 8.6653 9.9792 9.9792 k = 0.5351 0.1468-1.0031 ( 9120 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6075 -40.6075 -40.5194 -40.5194 -12.8663 -12.8663 -7.5153 -7.5153 -2.5761 -2.5761 -1.4530 -1.4530 -0.9028 -0.9028 2.1347 2.1347 2.8900 2.8900 3.1287 3.1287 5.6409 5.6409 8.4209 8.4209 8.6632 8.6632 9.9703 9.9703 k = 0.5527 0.1517-0.9939 ( 9120 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6075 -40.6075 -40.5194 -40.5194 -12.8665 -12.8665 -7.5153 -7.5153 -2.5753 -2.5753 -1.4523 -1.4523 -0.9024 -0.9024 2.1311 2.1311 2.8893 2.8893 3.1248 3.1248 5.6561 5.6561 8.4277 8.4277 8.6597 8.6597 9.9559 9.9559 k = 0.5703 0.1565-0.9846 ( 9124 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6076 -40.6076 -40.5193 -40.5193 -12.8667 -12.8667 -7.5155 -7.5155 -2.5741 -2.5741 -1.4513 -1.4513 -0.9019 -0.9019 2.1262 2.1262 2.8883 2.8883 3.1194 3.1194 5.6773 5.6773 8.4367 8.4367 8.6549 8.6549 9.9368 9.9368 k = 0.5878 0.1613-0.9754 ( 9115 PWs) bands (ev): -41.7918 -41.7918 -41.7913 -41.7913 -40.6078 -40.6078 -40.5191 -40.5191 -12.8670 -12.8670 -7.5156 -7.5156 -2.5727 -2.5727 -1.4501 -1.4501 -0.9012 -0.9012 2.1200 2.1200 2.8871 2.8871 3.1128 3.1128 5.7043 5.7043 8.4474 8.4474 8.6490 8.6490 9.9140 9.9140 k = 0.6054 0.1661-0.9661 ( 9118 PWs) bands (ev): -41.7919 -41.7919 -41.7913 -41.7913 -40.6079 -40.6079 -40.5190 -40.5190 -12.8674 -12.8674 -7.5157 -7.5157 -2.5709 -2.5709 -1.4487 -1.4487 -0.9003 -0.9003 2.1125 2.1125 2.8857 2.8857 3.1050 3.1050 5.7370 5.7370 8.4589 8.4589 8.6425 8.6425 9.8886 9.8886 k = 0.6230 0.1709-0.9569 ( 9117 PWs) bands (ev): -41.7919 -41.7919 -41.7913 -41.7913 -40.6081 -40.6081 -40.5188 -40.5188 -12.8678 -12.8678 -7.5159 -7.5159 -2.5687 -2.5687 -1.4470 -1.4470 -0.8994 -0.8994 2.1041 2.1041 2.8840 2.8840 3.0962 3.0962 5.7751 5.7751 8.4696 8.4696 8.6363 8.6363 9.8619 9.8619 k = 0.6405 0.1758-0.9477 ( 9119 PWs) bands (ev): -41.7919 -41.7919 -41.7913 -41.7913 -40.6083 -40.6083 -40.5186 -40.5186 -12.8683 -12.8683 -7.5161 -7.5161 -2.5663 -2.5663 -1.4453 -1.4453 -0.8983 -0.8983 2.0946 2.0946 2.8823 2.8823 3.0866 3.0866 5.8183 5.8183 8.4773 8.4773 8.6321 8.6321 9.8350 9.8350 k = 0.6581 0.1806-0.9384 ( 9124 PWs) bands (ev): -41.7919 -41.7919 -41.7912 -41.7912 -40.6085 -40.6085 -40.5184 -40.5184 -12.8688 -12.8688 -7.5164 -7.5164 -2.5636 -2.5636 -1.4434 -1.4434 -0.8971 -0.8971 2.0844 2.0844 2.8804 2.8804 3.0764 3.0764 5.8666 5.8666 8.4788 8.4788 8.6322 8.6322 9.8094 9.8094 k = 0.6581 0.1806-0.9384 ( 9124 PWs) bands (ev): -41.7919 -41.7919 -41.7912 -41.7912 -40.6085 -40.6085 -40.5184 -40.5184 -12.8688 -12.8688 -7.5164 -7.5164 -2.5636 -2.5636 -1.4434 -1.4434 -0.8971 -0.8971 2.0844 2.0844 2.8804 2.8804 3.0764 3.0764 5.8666 5.8666 8.4788 8.4788 8.6322 8.6322 9.8094 9.8094 k = 0.6547 0.1797-0.9167 ( 9112 PWs) bands (ev): -41.7919 -41.7919 -41.7913 -41.7913 -40.6096 -40.6096 -40.5173 -40.5173 -12.8712 -12.8712 -7.5172 -7.5172 -2.5528 -2.5528 -1.4449 -1.4449 -0.8940 -0.8940 2.0977 2.0977 2.8848 2.8848 3.0606 3.0606 5.8717 5.8717 8.4895 8.4895 8.6061 8.6061 9.8668 9.8668 k = 0.6514 0.1787-0.8949 ( 9106 PWs) bands (ev): -41.7919 -41.7919 -41.7913 -41.7913 -40.6109 -40.6109 -40.5160 -40.5160 -12.8744 -12.8744 -7.5182 -7.5182 -2.5385 -2.5385 -1.4471 -1.4471 -0.8900 -0.8900 2.1131 2.1131 2.8907 2.8907 3.0416 3.0416 5.8828 5.8828 8.5013 8.5013 8.5798 8.5798 9.9264 9.9264 k = 0.6480 0.1778-0.8732 ( 9109 PWs) bands (ev): -41.7920 -41.7920 -41.7913 -41.7913 -40.6125 -40.6125 -40.5144 -40.5144 -12.8784 -12.8784 -7.5195 -7.5195 -2.5207 -2.5207 -1.4500 -1.4500 -0.8850 -0.8850 2.1305 2.1305 2.8980 2.8980 3.0196 3.0196 5.8995 5.8995 8.5137 8.5137 8.5544 8.5544 9.9873 9.9873 k = 0.6446 0.1769-0.8515 ( 9112 PWs) bands (ev): -41.7920 -41.7920 -41.7913 -41.7913 -40.6144 -40.6144 -40.5126 -40.5126 -12.8831 -12.8831 -7.5210 -7.5210 -2.4995 -2.4995 -1.4535 -1.4535 -0.8791 -0.8791 2.1500 2.1500 2.9068 2.9068 2.9947 2.9947 5.9217 5.9217 8.5182 8.5182 8.5386 8.5386 10.0487 10.0487 k = 0.6413 0.1760-0.8297 ( 9110 PWs) bands (ev): -41.7920 -41.7920 -41.7913 -41.7913 -40.6164 -40.6164 -40.5105 -40.5105 -12.8885 -12.8885 -7.5227 -7.5227 -2.4748 -2.4748 -1.4575 -1.4575 -0.8722 -0.8722 2.1714 2.1714 2.9169 2.9169 2.9673 2.9673 5.9491 5.9491 8.4974 8.4974 8.5502 8.5502 10.1099 10.1099 k = 0.6379 0.1751-0.8080 ( 9115 PWs) bands (ev): -41.7921 -41.7921 -41.7913 -41.7913 -40.6187 -40.6187 -40.5083 -40.5083 -12.8946 -12.8946 -7.5247 -7.5247 -2.4468 -2.4468 -1.4621 -1.4621 -0.8645 -0.8645 2.1946 2.1946 2.9272 2.9272 2.9390 2.9390 5.9814 5.9814 8.4725 8.4725 8.5679 8.5679 10.1700 10.1700 k = 0.6345 0.1741-0.7863 ( 9123 PWs) bands (ev): -41.7921 -41.7921 -41.7913 -41.7913 -40.6211 -40.6211 -40.5060 -40.5060 -12.9014 -12.9014 -7.5268 -7.5268 -2.4154 -2.4154 -1.4672 -1.4672 -0.8558 -0.8558 2.2196 2.2196 2.9049 2.9049 2.9426 2.9426 6.0182 6.0182 8.4476 8.4476 8.5880 8.5880 10.2282 10.2282 k = 0.6312 0.1732-0.7645 ( 9120 PWs) bands (ev): -41.7922 -41.7922 -41.7914 -41.7914 -40.6236 -40.6236 -40.5035 -40.5035 -12.9087 -12.9087 -7.5291 -7.5291 -2.3809 -2.3809 -1.4728 -1.4728 -0.8463 -0.8463 2.2461 2.2461 2.8718 2.8718 2.9568 2.9568 6.0593 6.0593 8.4230 8.4230 8.6100 8.6100 10.2838 10.2838 k = 0.6278 0.1723-0.7428 ( 9120 PWs) bands (ev): -41.7923 -41.7923 -41.7914 -41.7914 -40.6262 -40.6262 -40.5010 -40.5010 -12.9167 -12.9167 -7.5317 -7.5317 -2.3433 -2.3433 -1.4788 -1.4788 -0.8359 -0.8359 2.2741 2.2741 2.8372 2.8372 2.9725 2.9725 6.1041 6.1041 8.3988 8.3988 8.6339 8.6339 10.3359 10.3359 k = 0.6244 0.1714-0.7211 ( 9119 PWs) bands (ev): -41.7923 -41.7923 -41.7914 -41.7914 -40.6289 -40.6289 -40.4983 -40.4983 -12.9252 -12.9252 -7.5344 -7.5344 -2.3027 -2.3027 -1.4852 -1.4852 -0.8247 -0.8247 2.3032 2.3032 2.8019 2.8019 2.9895 2.9895 6.1522 6.1522 8.3750 8.3750 8.6594 8.6594 10.3835 10.3835 k = 0.6211 0.1704-0.6993 ( 9121 PWs) bands (ev): -41.7924 -41.7924 -41.7914 -41.7914 -40.6316 -40.6316 -40.4956 -40.4956 -12.9343 -12.9343 -7.5373 -7.5373 -2.2593 -2.2593 -1.4919 -1.4919 -0.8128 -0.8128 2.3331 2.3331 2.7665 2.7665 3.0079 3.0079 6.2033 6.2033 8.3516 8.3516 8.6866 8.6866 10.4256 10.4256 k = 0.6177 0.1695-0.6776 ( 9113 PWs) bands (ev): -41.7925 -41.7925 -41.7914 -41.7914 -40.6344 -40.6344 -40.4929 -40.4929 -12.9438 -12.9438 -7.5403 -7.5403 -2.2130 -2.2130 -1.4989 -1.4989 -0.8001 -0.8001 2.3628 2.3628 2.7319 2.7319 3.0274 3.0274 6.2567 6.2567 8.3284 8.3284 8.7153 8.7153 10.4610 10.4610 k = 0.6144 0.1686-0.6558 ( 9111 PWs) bands (ev): -41.7925 -41.7925 -41.7915 -41.7915 -40.6372 -40.6372 -40.4901 -40.4901 -12.9537 -12.9537 -7.5435 -7.5435 -2.1642 -2.1642 -1.5061 -1.5061 -0.7867 -0.7867 2.3913 2.3913 2.6997 2.6997 3.0481 3.0481 6.3121 6.3121 8.3054 8.3054 8.7453 8.7453 10.4887 10.4887 k = 0.6110 0.1677-0.6341 ( 9112 PWs) bands (ev): -41.7926 -41.7926 -41.7915 -41.7915 -40.6400 -40.6400 -40.4874 -40.4874 -12.9640 -12.9640 -7.5468 -7.5468 -2.1130 -2.1130 -1.5133 -1.5133 -0.7727 -0.7727 2.4159 2.4159 2.6724 2.6724 3.0698 3.0698 6.3689 6.3689 8.2826 8.2826 8.7766 8.7766 10.5075 10.5075 k = 0.6076 0.1667-0.6124 ( 9111 PWs) bands (ev): -41.7927 -41.7927 -41.7915 -41.7915 -40.6428 -40.6428 -40.4846 -40.4846 -12.9746 -12.9746 -7.5502 -7.5502 -2.0595 -2.0595 -1.5206 -1.5206 -0.7580 -0.7580 2.4323 2.4323 2.6545 2.6545 3.0927 3.0927 6.4267 6.4267 8.2598 8.2598 8.8088 8.8088 10.5165 10.5165 k = 0.6043 0.1658-0.5906 ( 9115 PWs) bands (ev): -41.7928 -41.7928 -41.7916 -41.7916 -40.6456 -40.6456 -40.4819 -40.4819 -12.9856 -12.9856 -7.5537 -7.5537 -2.0041 -2.0041 -1.5278 -1.5278 -0.7428 -0.7428 2.4354 2.4354 2.6515 2.6515 3.1164 3.1164 6.4847 6.4847 8.2369 8.2369 8.8417 8.8417 10.5154 10.5154 k = 0.6009 0.1649-0.5689 ( 9123 PWs) bands (ev): -41.7929 -41.7929 -41.7916 -41.7916 -40.6484 -40.6484 -40.4792 -40.4792 -12.9967 -12.9967 -7.5573 -7.5573 -1.9469 -1.9469 -1.5346 -1.5346 -0.7271 -0.7271 2.4231 2.4231 2.6652 2.6652 3.1411 3.1411 6.5426 6.5426 8.2139 8.2139 8.8750 8.8750 10.5039 10.5039 k = 0.5975 0.1640-0.5472 ( 9126 PWs) bands (ev): -41.7929 -41.7929 -41.7916 -41.7916 -40.6512 -40.6512 -40.4765 -40.4765 -13.0081 -13.0081 -7.5609 -7.5609 -1.8886 -1.8886 -1.5407 -1.5407 -0.7110 -0.7110 2.3993 2.3993 2.6920 2.6920 3.1667 3.1667 6.5995 6.5995 8.1907 8.1907 8.9083 8.9083 10.4829 10.4829 k = 0.5942 0.1631-0.5254 ( 9131 PWs) bands (ev): -41.7930 -41.7930 -41.7917 -41.7917 -40.6539 -40.6539 -40.4738 -40.4738 -13.0195 -13.0195 -7.5647 -7.5647 -1.8299 -1.8299 -1.5456 -1.5456 -0.6944 -0.6944 2.3689 2.3689 2.7271 2.7271 3.1929 3.1929 6.6549 6.6549 8.1673 8.1673 8.9412 8.9412 10.4537 10.4537 k = 0.5908 0.1621-0.5037 ( 9129 PWs) bands (ev): -41.7931 -41.7931 -41.7917 -41.7917 -40.6566 -40.6566 -40.4712 -40.4712 -13.0311 -13.0311 -7.5684 -7.5684 -1.7721 -1.7721 -1.5478 -1.5478 -0.6775 -0.6775 2.3350 2.3350 2.7673 2.7673 3.2199 3.2199 6.7081 6.7081 8.1437 8.1437 8.9733 8.9733 10.4182 10.4182 k = 0.5875 0.1612-0.4820 ( 9121 PWs) bands (ev): -41.7932 -41.7932 -41.7918 -41.7918 -40.6592 -40.6592 -40.4686 -40.4686 -13.0427 -13.0427 -7.5722 -7.5722 -1.7185 -1.7185 -1.5445 -1.5445 -0.6603 -0.6603 2.2994 2.2994 2.8108 2.8108 3.2474 3.2474 6.7584 6.7584 8.1199 8.1199 9.0038 9.0038 10.3787 10.3787 k = 0.5841 0.1603-0.4602 ( 9111 PWs) bands (ev): -41.7933 -41.7933 -41.7918 -41.7918 -40.6618 -40.6618 -40.4661 -40.4661 -13.0544 -13.0544 -7.5761 -7.5761 -1.6755 -1.6755 -1.5293 -1.5293 -0.6429 -0.6429 2.2633 2.2633 2.8566 2.8566 3.2754 3.2754 6.8049 6.8049 8.0961 8.0961 9.0322 9.0322 10.3377 10.3377 k = 0.5807 0.1594-0.4385 ( 9113 PWs) bands (ev): -41.7934 -41.7934 -41.7918 -41.7918 -40.6643 -40.6643 -40.4636 -40.4636 -13.0659 -13.0659 -7.5799 -7.5799 -1.6505 -1.6505 -1.4951 -1.4951 -0.6254 -0.6254 2.2270 2.2270 2.9040 2.9040 3.3038 3.3038 6.8470 6.8470 8.0722 8.0722 9.0577 9.0577 10.2977 10.2977 k = 0.5774 0.1584-0.4167 ( 9113 PWs) bands (ev): -41.7934 -41.7934 -41.7919 -41.7919 -40.6667 -40.6667 -40.4613 -40.4613 -13.0774 -13.0774 -7.5836 -7.5836 -1.6414 -1.6414 -1.4440 -1.4440 -0.6078 -0.6078 2.1912 2.1912 2.9526 2.9526 3.3325 3.3325 6.8838 6.8838 8.0486 8.0486 9.0798 9.0798 10.2611 10.2611 k = 0.5740 0.1575-0.3950 ( 9113 PWs) bands (ev): -41.7935 -41.7935 -41.7919 -41.7919 -40.6691 -40.6691 -40.4590 -40.4590 -13.0888 -13.0888 -7.5874 -7.5874 -1.6408 -1.6408 -1.3839 -1.3839 -0.5901 -0.5901 2.1559 2.1559 3.0022 3.0022 3.3613 3.3613 6.9146 6.9146 8.0253 8.0253 9.0978 9.0978 10.2299 10.2299 k = 0.5706 0.1566-0.3733 ( 9113 PWs) bands (ev): -41.7936 -41.7936 -41.7920 -41.7920 -40.6714 -40.6714 -40.4567 -40.4567 -13.0999 -13.0999 -7.5911 -7.5911 -1.6440 -1.6440 -1.3194 -1.3194 -0.5725 -0.5725 2.1214 2.1214 3.0524 3.0524 3.3902 3.3902 6.9388 6.9388 8.0027 8.0027 9.1112 9.1112 10.2056 10.2056 k = 0.5673 0.1557-0.3515 ( 9115 PWs) bands (ev): -41.7937 -41.7937 -41.7920 -41.7920 -40.6736 -40.6736 -40.4546 -40.4546 -13.1109 -13.1109 -7.5947 -7.5947 -1.6490 -1.6490 -1.2530 -1.2530 -0.5551 -0.5551 2.0879 2.0879 3.1029 3.1029 3.4190 3.4190 6.9558 6.9558 7.9809 7.9809 9.1200 9.1200 10.1895 10.1895 k = 0.5639 0.1547-0.3298 ( 9115 PWs) bands (ev): -41.7938 -41.7938 -41.7921 -41.7921 -40.6757 -40.6757 -40.4525 -40.4525 -13.1215 -13.1215 -7.5983 -7.5983 -1.6548 -1.6548 -1.1857 -1.1857 -0.5378 -0.5378 2.0554 2.0554 3.1536 3.1536 3.4477 3.4477 6.9653 6.9653 7.9601 7.9601 9.1244 9.1244 10.1819 10.1819 k = 0.5605 0.1538-0.3081 ( 9099 PWs) bands (ev): -41.7938 -41.7938 -41.7921 -41.7921 -40.6778 -40.6778 -40.4505 -40.4505 -13.1319 -13.1319 -7.6018 -7.6018 -1.6610 -1.6610 -1.1183 -1.1183 -0.5208 -0.5208 2.0241 2.0241 3.2041 3.2041 3.4760 3.4760 6.9671 6.9671 7.9404 7.9404 9.1249 9.1249 10.1829 10.1829 k = 0.5572 0.1529-0.2863 ( 9104 PWs) bands (ev): -41.7939 -41.7939 -41.7921 -41.7921 -40.6797 -40.6797 -40.4486 -40.4486 -13.1419 -13.1419 -7.6051 -7.6051 -1.6674 -1.6674 -1.0514 -1.0514 -0.5041 -0.5041 1.9941 1.9941 3.2542 3.2542 3.5039 3.5039 6.9614 6.9614 7.9218 7.9218 9.1223 9.1223 10.1918 10.1918 k = 0.5538 0.1520-0.2646 ( 9104 PWs) bands (ev): -41.7940 -41.7940 -41.7922 -41.7922 -40.6816 -40.6816 -40.4468 -40.4468 -13.1515 -13.1515 -7.6084 -7.6084 -1.6737 -1.6737 -0.9855 -0.9855 -0.4878 -0.4878 1.9654 1.9654 3.3037 3.3037 3.5312 3.5312 6.9487 6.9487 7.9042 7.9042 9.1176 9.1176 10.2077 10.2077 k = 0.5505 0.1511-0.2429 ( 9114 PWs) bands (ev): -41.7940 -41.7940 -41.7922 -41.7922 -40.6833 -40.6833 -40.4451 -40.4451 -13.1608 -13.1608 -7.6115 -7.6115 -1.6800 -1.6800 -0.9208 -0.9208 -0.4719 -0.4719 1.9381 1.9381 3.3523 3.3523 3.5578 3.5578 6.9296 6.9296 7.8874 7.8874 9.1116 9.1116 10.2294 10.2294 k = 0.5471 0.1501-0.2211 ( 9118 PWs) bands (ev): -41.7941 -41.7941 -41.7923 -41.7923 -40.6850 -40.6850 -40.4435 -40.4435 -13.1696 -13.1696 -7.6145 -7.6145 -1.6860 -1.6860 -0.8579 -0.8579 -0.4566 -0.4566 1.9122 1.9122 3.3997 3.3997 3.5835 3.5835 6.9051 6.9051 7.8713 7.8713 9.1052 9.1052 10.2559 10.2559 k = 0.5437 0.1492-0.1994 ( 9122 PWs) bands (ev): -41.7942 -41.7942 -41.7923 -41.7923 -40.6865 -40.6865 -40.4420 -40.4420 -13.1779 -13.1779 -7.6173 -7.6173 -1.6918 -1.6918 -0.7972 -0.7972 -0.4418 -0.4418 1.8879 1.8879 3.4457 3.4457 3.6082 3.6082 6.8763 6.8763 7.8556 7.8556 9.0990 9.0990 10.2859 10.2859 k = 0.5404 0.1483-0.1776 ( 9125 PWs) bands (ev): -41.7942 -41.7942 -41.7923 -41.7923 -40.6880 -40.6880 -40.4406 -40.4406 -13.1857 -13.1857 -7.6199 -7.6199 -1.6972 -1.6972 -0.7391 -0.7391 -0.4276 -0.4276 1.8651 1.8651 3.4899 3.4899 3.6318 3.6318 6.8441 6.8441 7.8403 7.8403 9.0934 9.0934 10.3183 10.3183 k = 0.5370 0.1474-0.1559 ( 9119 PWs) bands (ev): -41.7943 -41.7943 -41.7924 -41.7924 -40.6893 -40.6893 -40.4393 -40.4393 -13.1930 -13.1930 -7.6224 -7.6224 -1.7024 -1.7024 -0.6840 -0.6840 -0.4139 -0.4139 1.8439 1.8439 3.5320 3.5320 3.6541 3.6541 6.8098 6.8098 7.8252 7.8252 9.0887 9.0887 10.3520 10.3520 k = 0.5336 0.1464-0.1342 ( 9123 PWs) bands (ev): -41.7943 -41.7943 -41.7924 -41.7924 -40.6906 -40.6906 -40.4381 -40.4381 -13.1997 -13.1997 -7.6247 -7.6247 -1.7071 -1.7071 -0.6324 -0.6324 -0.4009 -0.4009 1.8244 1.8244 3.5719 3.5719 3.6751 3.6751 6.7745 6.7745 7.8104 7.8104 9.0850 9.0850 10.3862 10.3862 k = 0.5303 0.1455-0.1124 ( 9121 PWs) bands (ev): -41.7944 -41.7944 -41.7924 -41.7924 -40.6917 -40.6917 -40.4371 -40.4371 -13.2059 -13.2059 -7.6268 -7.6268 -1.7115 -1.7115 -0.5848 -0.5848 -0.3884 -0.3884 1.8065 1.8065 3.6090 3.6090 3.6945 3.6945 6.7393 6.7393 7.7961 7.7961 9.0822 9.0822 10.4200 10.4200 k = 0.5269 0.1446-0.0907 ( 9125 PWs) bands (ev): -41.7944 -41.7944 -41.7924 -41.7924 -40.6927 -40.6927 -40.4361 -40.4361 -13.2115 -13.2115 -7.6287 -7.6287 -1.7155 -1.7155 -0.5416 -0.5416 -0.3764 -0.3764 1.7904 1.7904 3.6432 3.6432 3.7122 3.7122 6.7050 6.7050 7.7823 7.7823 9.0803 9.0803 10.4526 10.4526 k = 0.5235 0.1437-0.0690 ( 9123 PWs) bands (ev): -41.7944 -41.7944 -41.7925 -41.7925 -40.6936 -40.6936 -40.4352 -40.4352 -13.2164 -13.2164 -7.6304 -7.6304 -1.7190 -1.7190 -0.5035 -0.5035 -0.3648 -0.3648 1.7761 1.7761 3.6742 3.6742 3.7282 3.7282 6.6727 6.6727 7.7694 7.7694 9.0791 9.0791 10.4832 10.4832 k = 0.5202 0.1427-0.0472 ( 9123 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6943 -40.6943 -40.4345 -40.4345 -13.2207 -13.2207 -7.6319 -7.6319 -1.7221 -1.7221 -0.4708 -0.4708 -0.3534 -0.3534 1.7635 1.7635 3.7016 3.7016 3.7424 3.7424 6.6430 6.6430 7.7575 7.7575 9.0785 9.0785 10.5112 10.5112 k = 0.5168 0.1418-0.0255 ( 9132 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6950 -40.6950 -40.4339 -40.4339 -13.2244 -13.2244 -7.6332 -7.6332 -1.7248 -1.7248 -0.4442 -0.4442 -0.3421 -0.3421 1.7529 1.7529 3.7252 3.7252 3.7547 3.7547 6.6168 6.6168 7.7469 7.7469 9.0783 9.0783 10.5360 10.5360 k = 0.5135 0.1409-0.0037 ( 9129 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6955 -40.6955 -40.4333 -40.4333 -13.2275 -13.2275 -7.6342 -7.6342 -1.7270 -1.7270 -0.4235 -0.4235 -0.3312 -0.3312 1.7441 1.7441 3.7446 3.7446 3.7650 3.7650 6.5944 6.5944 7.7378 7.7378 9.0784 9.0784 10.5570 10.5570 k = 0.5101 0.1400 0.0180 ( 9131 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6959 -40.6959 -40.4329 -40.4329 -13.2298 -13.2298 -7.6351 -7.6351 -1.7287 -1.7287 -0.4086 -0.4086 -0.3214 -0.3214 1.7372 1.7372 3.7595 3.7595 3.7736 3.7736 6.5766 6.5766 7.7305 7.7305 9.0786 9.0786 10.5739 10.5739 k = 0.5067 0.1391 0.0397 ( 9144 PWs) bands (ev): -41.7945 -41.7945 -41.7925 -41.7925 -40.6963 -40.6963 -40.4326 -40.4326 -13.2315 -13.2315 -7.6356 -7.6356 -1.7299 -1.7299 -0.3987 -0.3987 -0.3134 -0.3134 1.7323 1.7323 3.7696 3.7696 3.7804 3.7804 6.5636 6.5636 7.7252 7.7252 9.0788 9.0788 10.5862 10.5862 k = 0.5034 0.1381 0.0615 ( 9148 PWs) bands (ev): -41.7945 -41.7945 -41.7926 -41.7926 -40.6964 -40.6964 -40.4325 -40.4325 -13.2325 -13.2325 -7.6360 -7.6360 -1.7306 -1.7306 -0.3932 -0.3932 -0.3081 -0.3081 1.7294 1.7294 3.7752 3.7752 3.7850 3.7850 6.5556 6.5556 7.7219 7.7219 9.0789 9.0789 10.5937 10.5937 k = 0.5000 0.1372 0.0832 ( 9148 PWs) bands (ev): -41.7946 -41.7946 -41.7926 -41.7926 -40.6965 -40.6965 -40.4324 -40.4324 -13.2329 -13.2329 -7.6361 -7.6361 -1.7309 -1.7309 -0.3914 -0.3914 -0.3063 -0.3063 1.7284 1.7284 3.7770 3.7770 3.7867 3.7867 6.5530 6.5530 7.7208 7.7208 9.0790 9.0790 10.5960 10.5965 k = 0.5000-0.8424-0.5108 ( 9132 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5158 -7.5158 -2.5685 -2.5685 -1.4093 -1.4093 -0.8922 -0.8922 1.8515 1.8515 2.8329 2.8329 3.0194 3.0194 7.3353 7.3353 7.3963 7.3963 8.8478 8.8478 9.7884 9.7884 k = 0.5186-0.8344-0.5059 ( 9138 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5158 -7.5158 -2.5685 -2.5685 -1.4095 -1.4095 -0.8922 -0.8922 1.8527 1.8527 2.8331 2.8331 3.0197 3.0197 7.2575 7.2575 7.4732 7.4732 8.8478 8.8478 9.7782 9.7782 k = 0.5372-0.8263-0.5010 ( 9123 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5158 -7.5158 -2.5685 -2.5685 -1.4100 -1.4100 -0.8923 -0.8923 1.8560 1.8560 2.8338 2.8338 3.0205 3.0205 7.1555 7.1555 7.5725 7.5725 8.8479 8.8479 9.7508 9.7508 k = 0.5558-0.8182-0.4961 ( 9123 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6074 -40.6074 -40.5195 -40.5195 -12.8662 -12.8662 -7.5158 -7.5158 -2.5684 -2.5684 -1.4108 -1.4108 -0.8924 -0.8924 1.8616 1.8616 2.8349 2.8349 3.0218 3.0218 7.0523 7.0523 7.6711 7.6711 8.8479 8.8479 9.7131 9.7131 k = 0.5744-0.8101-0.4912 ( 9135 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6075 -40.6075 -40.5194 -40.5194 -12.8663 -12.8663 -7.5158 -7.5158 -2.5684 -2.5684 -1.4120 -1.4120 -0.8926 -0.8926 1.8694 1.8694 2.8365 2.8365 3.0236 3.0236 6.9495 6.9495 7.7673 7.7673 8.8474 8.8474 9.6714 9.6714 k = 0.5930-0.8021-0.4863 ( 9128 PWs) bands (ev): -41.7922 -41.7922 -41.7910 -41.7910 -40.6075 -40.6075 -40.5194 -40.5194 -12.8664 -12.8664 -7.5159 -7.5159 -2.5683 -2.5683 -1.4134 -1.4134 -0.8929 -0.8929 1.8791 1.8791 2.8385 2.8385 3.0259 3.0259 6.8477 6.8477 7.8600 7.8600 8.8459 8.8459 9.6307 9.6307 k = 0.6116-0.7940-0.4814 ( 9128 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6075 -40.6075 -40.5193 -40.5193 -12.8665 -12.8665 -7.5159 -7.5159 -2.5683 -2.5683 -1.4151 -1.4151 -0.8932 -0.8932 1.8908 1.8908 2.8408 2.8408 3.0287 3.0287 6.7474 6.7474 7.9483 7.9483 8.8428 8.8428 9.5943 9.5943 k = 0.6302-0.7859-0.4765 ( 9134 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6076 -40.6076 -40.5193 -40.5193 -12.8666 -12.8666 -7.5159 -7.5159 -2.5682 -2.5682 -1.4171 -1.4171 -0.8935 -0.8935 1.9043 1.9043 2.8435 2.8435 3.0319 3.0319 6.6491 6.6491 8.0313 8.0313 8.8372 8.8372 9.5652 9.5652 k = 0.6488-0.7779-0.4717 ( 9130 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6077 -40.6077 -40.5192 -40.5192 -12.8667 -12.8667 -7.5159 -7.5159 -2.5680 -2.5680 -1.4193 -1.4193 -0.8939 -0.8939 1.9193 1.9193 2.8465 2.8465 3.0354 3.0354 6.5532 6.5532 8.1084 8.1084 8.8284 8.8284 9.5456 9.5456 k = 0.6674-0.7698-0.4668 ( 9116 PWs) bands (ev): -41.7921 -41.7921 -41.7910 -41.7910 -40.6077 -40.6077 -40.5192 -40.5192 -12.8669 -12.8669 -7.5160 -7.5160 -2.5678 -2.5678 -1.4217 -1.4217 -0.8943 -0.8943 1.9357 1.9357 2.8498 2.8498 3.0393 3.0393 6.4601 6.4601 8.1787 8.1787 8.8155 8.8155 9.5370 9.5370 k = 0.6860-0.7617-0.4619 ( 9109 PWs) bands (ev): -41.7921 -41.7921 -41.7911 -41.7911 -40.6078 -40.6078 -40.5191 -40.5191 -12.8671 -12.8671 -7.5160 -7.5160 -2.5676 -2.5676 -1.4243 -1.4243 -0.8947 -0.8947 1.9533 1.9533 2.8534 2.8534 3.0435 3.0435 6.3703 6.3703 8.2418 8.2418 8.7985 8.7985 9.5403 9.5403 k = 0.7046-0.7536-0.4570 ( 9107 PWs) bands (ev): -41.7920 -41.7920 -41.7911 -41.7911 -40.6079 -40.6079 -40.5190 -40.5190 -12.8673 -12.8673 -7.5160 -7.5160 -2.5673 -2.5673 -1.4269 -1.4269 -0.8951 -0.8951 1.9718 1.9718 2.8571 2.8571 3.0479 3.0479 6.2842 6.2842 8.2975 8.2975 8.7774 8.7774 9.5555 9.5555 k = 0.7232-0.7456-0.4521 ( 9115 PWs) bands (ev): -41.7920 -41.7920 -41.7911 -41.7911 -40.6080 -40.6080 -40.5189 -40.5189 -12.8675 -12.8675 -7.5161 -7.5161 -2.5669 -2.5669 -1.4297 -1.4297 -0.8955 -0.8955 1.9908 1.9908 2.8609 2.8609 3.0525 3.0525 6.2021 6.2021 8.3457 8.3457 8.7532 8.7532 9.5815 9.5815 k = 0.7418-0.7375-0.4472 ( 9119 PWs) bands (ev): -41.7920 -41.7920 -41.7911 -41.7911 -40.6081 -40.6081 -40.5188 -40.5188 -12.8677 -12.8677 -7.5161 -7.5161 -2.5664 -2.5664 -1.4325 -1.4325 -0.8959 -0.8959 2.0102 2.0102 2.8649 2.8649 3.0572 3.0572 6.1245 6.1245 8.3866 8.3866 8.7268 8.7268 9.6168 9.6168 k = 0.7604-0.7294-0.4423 ( 9116 PWs) bands (ev): -41.7920 -41.7920 -41.7912 -41.7912 -40.6082 -40.6082 -40.5187 -40.5187 -12.8680 -12.8680 -7.5162 -7.5162 -2.5659 -2.5659 -1.4353 -1.4353 -0.8962 -0.8962 2.0296 2.0296 2.8688 2.8688 3.0620 3.0620 6.0517 6.0517 8.4205 8.4205 8.6998 8.6998 9.6595 9.6595 k = 0.7790-0.7214-0.4374 ( 9114 PWs) bands (ev): -41.7920 -41.7920 -41.7912 -41.7912 -40.6083 -40.6083 -40.5186 -40.5186 -12.8682 -12.8682 -7.5162 -7.5162 -2.5652 -2.5652 -1.4381 -1.4381 -0.8966 -0.8966 2.0487 2.0487 2.8728 2.8728 3.0669 3.0669 5.9843 5.9843 8.4474 8.4474 8.6738 8.6738 9.7072 9.7072 k = 0.7976-0.7133-0.4325 ( 9121 PWs) bands (ev): -41.7919 -41.7919 -41.7912 -41.7912 -40.6084 -40.6084 -40.5185 -40.5185 -12.8685 -12.8685 -7.5163 -7.5163 -2.5644 -2.5644 -1.4408 -1.4408 -0.8968 -0.8968 2.0670 2.0670 2.8766 2.8766 3.0717 3.0717 5.9224 5.9224 8.4671 8.4671 8.6505 8.6505 9.7579 9.7579 k = 0.8162-0.7052-0.4276 ( 9124 PWs) bands (ev): -41.7919 -41.7919 -41.7912 -41.7912 -40.6085 -40.6085 -40.5184 -40.5184 -12.8688 -12.8688 -7.5164 -7.5164 -2.5636 -2.5636 -1.4434 -1.4434 -0.8971 -0.8971 2.0844 2.0844 2.8804 2.8804 3.0764 3.0764 5.8666 5.8666 8.4788 8.4788 8.6322 8.6322 9.8094 9.8094 Writing output data file Li4NCl.save init_run : 0.35s CPU 0.55s WALL ( 1 calls) electrons : 315.58s CPU 318.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.05s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 315.58s CPU 318.13s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 331 calls) cegterg : 270.01s CPU 271.25s WALL ( 427 calls) Called by sum_band: Called by *egterg: h_psi : 268.35s CPU 269.55s WALL ( 7418 calls) s_psi : 2.78s CPU 2.81s WALL ( 7418 calls) g_psi : 0.26s CPU 0.29s WALL ( 6660 calls) cdiaghg : 26.21s CPU 26.38s WALL ( 6991 calls) cegterg:over : 4.80s CPU 4.79s WALL ( 6660 calls) cegterg:upda : 5.71s CPU 5.80s WALL ( 6660 calls) cegterg:last : 2.40s CPU 2.34s WALL ( 1089 calls) cdiaghg:chol : 1.68s CPU 1.63s WALL ( 6991 calls) cdiaghg:inve : 0.78s CPU 0.67s WALL ( 6991 calls) cdiaghg:para : 1.45s CPU 1.56s WALL ( 13982 calls) Called by h_psi: h_psi:vloc : 260.49s CPU 261.62s WALL ( 7418 calls) h_psi:vnl : 7.56s CPU 7.66s WALL ( 7418 calls) add_vuspsi : 3.40s CPU 3.46s WALL ( 7418 calls) General routines calbec : 4.14s CPU 4.18s WALL ( 7418 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 245.37s CPU 246.75s WALL ( 475572 calls) davcio : 0.21s CPU 0.26s WALL ( 662 calls) Parallel routines fft_scatter : 42.64s CPU 42.73s WALL ( 475587 calls) PWSCF : 5m33.24s CPU 6m11.57s WALL This run was terminated on: 17:22:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=