Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:58:52 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: ./Y2C.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 28 8 1274 443 75 Max 57 29 9 1277 461 77 Sum 2049 1023 311 45953 16253 2731 bravais-lattice index = 14 lattice parameter (alat) = 11.9869 a.u. unit-cell volume = 459.8161 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.986873 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.836721 celldm(5)= 0.836721 celldm(6)= 0.836721 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.836721 0.547630 0.000000 ) a(3) = ( 0.836721 0.249474 0.487505 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.527895 -0.934454 ) b(2) = ( 0.000000 1.826051 -0.934454 ) b(3) = ( 0.000000 0.000000 2.051260 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 1.00) Y 11.00 88.90590 Y( 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= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0098039 -0.0149794 -0.0091613), wk = 0.0029586 k( 3) = ( 0.0196078 -0.0299587 -0.0183226), wk = 0.0029586 k( 4) = ( 0.0294118 -0.0449381 -0.0274839), wk = 0.0029586 k( 5) = ( 0.0392157 -0.0599174 -0.0366453), wk = 0.0029586 k( 6) = ( 0.0490196 -0.0748968 -0.0458066), wk = 0.0029586 k( 7) = ( 0.0588235 -0.0898762 -0.0549679), wk = 0.0029586 k( 8) = ( 0.0686275 -0.1048555 -0.0641292), wk = 0.0029586 k( 9) = ( 0.0784314 -0.1198349 -0.0732905), wk = 0.0029586 k( 10) = ( 0.0882353 -0.1348142 -0.0824518), wk = 0.0029586 k( 11) = ( 0.0980392 -0.1497936 -0.0916132), wk = 0.0029586 k( 12) = ( 0.1078431 -0.1647729 -0.1007745), wk = 0.0029586 k( 13) = ( 0.1176471 -0.1797523 -0.1099358), wk = 0.0029586 k( 14) = ( 0.1274510 -0.1947317 -0.1190971), wk = 0.0029586 k( 15) = ( 0.1372549 -0.2097110 -0.1282584), wk = 0.0029586 k( 16) = ( 0.1470588 -0.2246904 -0.1374197), wk = 0.0029586 k( 17) = ( 0.1568627 -0.2396697 -0.1465811), wk = 0.0029586 k( 18) = ( 0.1666667 -0.2546491 -0.1557424), wk = 0.0029586 k( 19) = ( 0.1764706 -0.2696285 -0.1649037), wk = 0.0029586 k( 20) = ( 0.1862745 -0.2846078 -0.1740650), wk = 0.0029586 k( 21) = ( 0.1960784 -0.2995872 -0.1832263), wk = 0.0029586 k( 22) = ( 0.2058823 -0.3145665 -0.1923876), wk = 0.0029586 k( 23) = ( 0.2156863 -0.3295459 -0.2015490), wk = 0.0029586 k( 24) = ( 0.2254902 -0.3445253 -0.2107103), wk = 0.0029586 k( 25) = ( 0.2352941 -0.3595046 -0.2198716), wk = 0.0029586 k( 26) = ( 0.2450980 -0.3744840 -0.2290329), wk = 0.0029586 k( 27) = ( 0.2549020 -0.3894633 -0.2381942), wk = 0.0029586 k( 28) = ( 0.2647059 -0.4044427 -0.2473555), wk = 0.0029586 k( 29) = ( 0.2745098 -0.4194220 -0.2565169), wk = 0.0029586 k( 30) = ( 0.2843137 -0.4344014 -0.2656782), wk = 0.0029586 k( 31) = ( 0.2941177 -0.4493808 -0.2748395), wk = 0.0029586 k( 32) = ( 0.3039216 -0.4643601 -0.2840008), wk = 0.0029586 k( 33) = ( 0.3137255 -0.4793395 -0.2931621), wk = 0.0029586 k( 34) = ( 0.3235294 -0.4943188 -0.3023234), wk = 0.0029586 k( 35) = ( 0.3333333 -0.5092982 -0.3114848), wk = 0.0029586 k( 36) = ( 0.3431373 -0.5242775 -0.3206461), wk = 0.0029586 k( 37) = ( 0.3529412 -0.5392569 -0.3298074), wk = 0.0029586 k( 38) = ( 0.3627451 -0.5542363 -0.3389687), wk = 0.0029586 k( 39) = ( 0.3725490 -0.5692156 -0.3481300), wk = 0.0029586 k( 40) = ( 0.3823529 -0.5841950 -0.3572913), wk = 0.0029586 k( 41) = ( 0.3921569 -0.5991743 -0.3664527), wk = 0.0029586 k( 42) = ( 0.4019608 -0.6141537 -0.3756140), wk = 0.0029586 k( 43) = ( 0.4117647 -0.6291331 -0.3847753), wk = 0.0029586 k( 44) = ( 0.4215686 -0.6441124 -0.3939366), wk = 0.0029586 k( 45) = ( 0.4313726 -0.6590918 -0.4030979), wk = 0.0029586 k( 46) = ( 0.4411765 -0.6740711 -0.4122592), wk = 0.0029586 k( 47) = ( 0.4509804 -0.6890505 -0.4214206), wk = 0.0029586 k( 48) = ( 0.4607843 -0.7040299 -0.4305819), wk = 0.0029586 k( 49) = ( 0.4705882 -0.7190092 -0.4397432), wk = 0.0029586 k( 50) = ( 0.4803922 -0.7339886 -0.4489045), wk = 0.0029586 k( 51) = ( 0.4901961 -0.7489679 -0.4580658), wk = 0.0029586 k( 52) = ( 0.5000000 -0.7639473 -0.4672271), wk = 0.0029586 k( 53) = ( 0.5000000 -0.7639473 -0.4672271), wk = 0.0029586 k( 54) = ( 0.5000000 -0.7535983 -0.4841484), wk = 0.0029586 k( 55) = ( 0.5000000 -0.7432493 -0.5010697), wk = 0.0029586 k( 56) = ( 0.5000000 -0.7329003 -0.5179910), wk = 0.0029586 k( 57) = ( 0.5000000 -0.7225513 -0.5349123), wk = 0.0029586 k( 58) = ( 0.5000000 -0.7122023 -0.5518336), wk = 0.0029586 k( 59) = ( 0.5000000 -0.7018533 -0.5687549), wk = 0.0029586 k( 60) = ( 0.5000000 -0.6915043 -0.5856762), wk = 0.0029586 k( 61) = ( 0.5000000 -0.6811553 -0.6025975), wk = 0.0029586 k( 62) = ( 0.5000000 -0.6708063 -0.6195188), wk = 0.0029586 k( 63) = ( 0.5000000 -0.6604573 -0.6364401), wk = 0.0029586 k( 64) = ( 0.5000000 -0.6501083 -0.6533614), wk = 0.0029586 k( 65) = ( 0.5000000 -0.6397593 -0.6702827), wk = 0.0029586 k( 66) = ( 0.5000000 -0.6294103 -0.6872040), wk = 0.0029586 k( 67) = ( 0.5000000 -0.6190613 -0.7041253), wk = 0.0029586 k( 68) = ( 0.5000000 -0.6087123 -0.7210466), wk = 0.0029586 k( 69) = ( 0.5000000 -0.5983633 -0.7379679), wk = 0.0029586 k( 70) = ( 0.5000000 -0.5880143 -0.7548892), wk = 0.0029586 k( 71) = ( 0.5000000 -0.5776653 -0.7718105), wk = 0.0029586 k( 72) = ( 0.5000000 -0.5673163 -0.7887318), wk = 0.0029586 k( 73) = ( 0.5000000 -0.5569673 -0.8056531), wk = 0.0029586 k( 74) = ( 0.5000000 -0.5466183 -0.8225743), wk = 0.0029586 k( 75) = ( 0.5000000 -0.5362694 -0.8394956), wk = 0.0029586 k( 76) = ( 0.5000000 -0.5259204 -0.8564169), wk = 0.0029586 k( 77) = ( 0.5000000 -0.5155714 -0.8733382), wk = 0.0029586 k( 78) = ( 0.5000000 -0.5052224 -0.8902595), wk = 0.0029586 k( 79) = ( 0.5000000 -0.4948734 -0.9071808), wk = 0.0029586 k( 80) = ( 0.5000000 -0.4845244 -0.9241021), wk = 0.0029586 k( 81) = ( 0.5000000 -0.4741754 -0.9410234), wk = 0.0029586 k( 82) = ( 0.5000000 -0.4638264 -0.9579447), wk = 0.0029586 k( 83) = ( 0.5000000 -0.4534774 -0.9748660), wk = 0.0029586 k( 84) = ( 0.5000000 -0.4431284 -0.9917873), wk = 0.0029586 k( 85) = ( 0.5000000 -0.4327794 -1.0087086), wk = 0.0029586 k( 86) = ( 0.5000000 -0.4224304 -1.0256299), wk = 0.0029586 k( 87) = ( 0.8129751 -0.3291149 -0.8432787), wk = 0.0029586 k( 88) = ( 0.8072847 -0.3204204 -0.8262886), wk = 0.0029586 k( 89) = ( 0.8015942 -0.3117260 -0.8092985), wk = 0.0029586 k( 90) = ( 0.7959038 -0.3030316 -0.7923084), wk = 0.0029586 k( 91) = ( 0.7902133 -0.2943372 -0.7753184), wk = 0.0029586 k( 92) = ( 0.7845229 -0.2856428 -0.7583283), wk = 0.0029586 k( 93) = ( 0.7788324 -0.2769484 -0.7413382), wk = 0.0029586 k( 94) = ( 0.7731419 -0.2682539 -0.7243481), wk = 0.0029586 k( 95) = ( 0.7674515 -0.2595595 -0.7073580), wk = 0.0029586 k( 96) = ( 0.7617610 -0.2508651 -0.6903680), wk = 0.0029586 k( 97) = ( 0.7560706 -0.2421707 -0.6733779), wk = 0.0029586 k( 98) = ( 0.7503801 -0.2334763 -0.6563878), wk = 0.0029586 k( 99) = ( 0.7446897 -0.2247819 -0.6393977), wk = 0.0029586 k( 100) = ( 0.7389992 -0.2160874 -0.6224077), wk = 0.0029586 k( 101) = ( 0.7333087 -0.2073930 -0.6054176), wk = 0.0029586 k( 102) = ( 0.7276183 -0.1986986 -0.5884275), wk = 0.0029586 k( 103) = ( 0.7219278 -0.1900042 -0.5714374), wk = 0.0029586 k( 104) = ( 0.7162374 -0.1813098 -0.5544473), wk = 0.0029586 k( 105) = ( 0.7105469 -0.1726153 -0.5374573), wk = 0.0029586 k( 106) = ( 0.7048565 -0.1639209 -0.5204672), wk = 0.0029586 k( 107) = ( 0.6991660 -0.1552265 -0.5034771), wk = 0.0029586 k( 108) = ( 0.6934755 -0.1465321 -0.4864870), wk = 0.0029586 k( 109) = ( 0.6877851 -0.1378377 -0.4694970), wk = 0.0029586 k( 110) = ( 0.6820946 -0.1291432 -0.4525069), wk = 0.0029586 k( 111) = ( 0.6764042 -0.1204488 -0.4355168), wk = 0.0029586 k( 112) = ( 0.6707137 -0.1117544 -0.4185267), wk = 0.0029586 k( 113) = ( 0.6650233 -0.1030600 -0.4015367), wk = 0.0029586 k( 114) = ( 0.6593328 -0.0943656 -0.3845466), wk = 0.0029586 k( 115) = ( 0.6536423 -0.0856711 -0.3675565), wk = 0.0029586 k( 116) = ( 0.6479519 -0.0769767 -0.3505664), wk = 0.0029586 k( 117) = ( 0.6422614 -0.0682823 -0.3335763), wk = 0.0029586 k( 118) = ( 0.6365710 -0.0595879 -0.3165863), wk = 0.0029586 k( 119) = ( 0.6308805 -0.0508935 -0.2995962), wk = 0.0029586 k( 120) = ( 0.6251901 -0.0421991 -0.2826061), wk = 0.0029586 k( 121) = ( 0.6194996 -0.0335046 -0.2656160), wk = 0.0029586 k( 122) = ( 0.6138091 -0.0248102 -0.2486259), wk = 0.0029586 k( 123) = ( 0.6081187 -0.0161158 -0.2316359), wk = 0.0029586 k( 124) = ( 0.6024282 -0.0074214 -0.2146458), wk = 0.0029586 k( 125) = ( 0.5967378 0.0012730 -0.1976557), wk = 0.0029586 k( 126) = ( 0.5910473 0.0099675 -0.1806656), wk = 0.0029586 k( 127) = ( 0.5853569 0.0186619 -0.1636756), wk = 0.0029586 k( 128) = ( 0.5796664 0.0273563 -0.1466855), wk = 0.0029586 k( 129) = ( 0.5739759 0.0360507 -0.1296954), wk = 0.0029586 k( 130) = ( 0.5682855 0.0447451 -0.1127053), wk = 0.0029586 k( 131) = ( 0.5625950 0.0534395 -0.0957153), wk = 0.0029586 k( 132) = ( 0.5569046 0.0621340 -0.0787252), wk = 0.0029586 k( 133) = ( 0.5512141 0.0708284 -0.0617351), wk = 0.0029586 k( 134) = ( 0.5455237 0.0795228 -0.0447450), wk = 0.0029586 k( 135) = ( 0.5398332 0.0882172 -0.0277549), wk = 0.0029586 k( 136) = ( 0.5341427 0.0969116 -0.0107649), wk = 0.0029586 k( 137) = ( 0.5284523 0.1056061 0.0062252), wk = 0.0029586 k( 138) = ( 0.5227618 0.1143005 0.0232153), wk = 0.0029586 k( 139) = ( 0.5170714 0.1229949 0.0402054), wk = 0.0029586 k( 140) = ( 0.5113809 0.1316893 0.0571955), wk = 0.0029586 k( 141) = ( 0.5056905 0.1403837 0.0741855), wk = 0.0029586 k( 142) = ( 0.5000000 0.1490782 0.0911756), wk = 0.0029586 k( 143) = ( 0.5000000 0.1490782 0.0911756), wk = 0.0029586 k( 144) = ( 0.4814815 0.1435567 0.0877987), wk = 0.0029586 k( 145) = ( 0.4629630 0.1380353 0.0844219), wk = 0.0029586 k( 146) = ( 0.4444444 0.1325139 0.0810450), wk = 0.0029586 k( 147) = ( 0.4259259 0.1269925 0.0776681), wk = 0.0029586 k( 148) = ( 0.4074074 0.1214711 0.0742912), wk = 0.0029586 k( 149) = ( 0.3888889 0.1159497 0.0709144), wk = 0.0029586 k( 150) = ( 0.3703704 0.1104283 0.0675375), wk = 0.0029586 k( 151) = ( 0.3518519 0.1049068 0.0641606), wk = 0.0029586 k( 152) = ( 0.3333333 0.0993854 0.0607837), wk = 0.0029586 k( 153) = ( 0.3148148 0.0938640 0.0574069), wk = 0.0029586 k( 154) = ( 0.2962963 0.0883426 0.0540300), wk = 0.0029586 k( 155) = ( 0.2777778 0.0828212 0.0506531), wk = 0.0029586 k( 156) = ( 0.2592593 0.0772998 0.0472762), wk = 0.0029586 k( 157) = ( 0.2407407 0.0717784 0.0438994), wk = 0.0029586 k( 158) = ( 0.2222222 0.0662570 0.0405225), wk = 0.0029586 k( 159) = ( 0.2037037 0.0607355 0.0371456), wk = 0.0029586 k( 160) = ( 0.1851852 0.0552141 0.0337687), wk = 0.0029586 k( 161) = ( 0.1666667 0.0496927 0.0303919), wk = 0.0029586 k( 162) = ( 0.1481482 0.0441713 0.0270150), wk = 0.0029586 k( 163) = ( 0.1296296 0.0386499 0.0236381), wk = 0.0029586 k( 164) = ( 0.1111111 0.0331285 0.0202612), wk = 0.0029586 k( 165) = ( 0.0925926 0.0276071 0.0168844), wk = 0.0029586 k( 166) = ( 0.0740741 0.0220857 0.0135075), wk = 0.0029586 k( 167) = ( 0.0555556 0.0165642 0.0101306), wk = 0.0029586 k( 168) = ( 0.0370370 0.0110428 0.0067537), wk = 0.0029586 k( 169) = ( 0.0185185 0.0055214 0.0033769), wk = 0.0029586 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 172) = ( 0.0057252 -0.0087475 -0.0170938), wk = 0.0029586 k( 173) = ( 0.0114504 -0.0174950 -0.0341877), wk = 0.0029586 k( 174) = ( 0.0171756 -0.0262425 -0.0512815), wk = 0.0029586 k( 175) = ( 0.0229008 -0.0349901 -0.0683753), wk = 0.0029586 k( 176) = ( 0.0286260 -0.0437376 -0.0854692), wk = 0.0029586 k( 177) = ( 0.0343512 -0.0524851 -0.1025630), wk = 0.0029586 k( 178) = ( 0.0400764 -0.0612326 -0.1196568), wk = 0.0029586 k( 179) = ( 0.0458017 -0.0699801 -0.1367507), wk = 0.0029586 k( 180) = ( 0.0515269 -0.0787276 -0.1538445), wk = 0.0029586 k( 181) = ( 0.0572521 -0.0874751 -0.1709383), wk = 0.0029586 k( 182) = ( 0.0629773 -0.0962226 -0.1880322), wk = 0.0029586 k( 183) = ( 0.0687025 -0.1049702 -0.2051260), wk = 0.0029586 k( 184) = ( 0.0744277 -0.1137177 -0.2222198), wk = 0.0029586 k( 185) = ( 0.0801529 -0.1224652 -0.2393136), wk = 0.0029586 k( 186) = ( 0.0858781 -0.1312127 -0.2564075), wk = 0.0029586 k( 187) = ( 0.0916033 -0.1399602 -0.2735013), wk = 0.0029586 k( 188) = ( 0.0973285 -0.1487077 -0.2905951), wk = 0.0029586 k( 189) = ( 0.1030537 -0.1574552 -0.3076890), wk = 0.0029586 k( 190) = ( 0.1087789 -0.1662028 -0.3247828), wk = 0.0029586 k( 191) = ( 0.1145041 -0.1749503 -0.3418766), wk = 0.0029586 k( 192) = ( 0.1202293 -0.1836978 -0.3589705), wk = 0.0029586 k( 193) = ( 0.1259546 -0.1924453 -0.3760643), wk = 0.0029586 k( 194) = ( 0.1316798 -0.2011928 -0.3931581), wk = 0.0029586 k( 195) = ( 0.1374050 -0.2099403 -0.4102520), wk = 0.0029586 k( 196) = ( 0.1431302 -0.2186878 -0.4273458), wk = 0.0029586 k( 197) = ( 0.1488554 -0.2274353 -0.4444396), wk = 0.0029586 k( 198) = ( 0.1545806 -0.2361828 -0.4615334), wk = 0.0029586 k( 199) = ( 0.1603058 -0.2449304 -0.4786273), wk = 0.0029586 k( 200) = ( 0.1660310 -0.2536779 -0.4957211), wk = 0.0029586 k( 201) = ( 0.1717562 -0.2624254 -0.5128149), wk = 0.0029586 k( 202) = ( 0.1774814 -0.2711729 -0.5299088), wk = 0.0029586 k( 203) = ( 0.1832066 -0.2799204 -0.5470026), wk = 0.0029586 k( 204) = ( 0.1889318 -0.2886679 -0.5640965), wk = 0.0029586 k( 205) = ( 0.1946570 -0.2974154 -0.5811903), wk = 0.0029586 k( 206) = ( 0.2003823 -0.3061630 -0.5982841), wk = 0.0029586 k( 207) = ( 0.2061075 -0.3149105 -0.6153779), wk = 0.0029586 k( 208) = ( 0.2118327 -0.3236580 -0.6324718), wk = 0.0029586 k( 209) = ( 0.2175579 -0.3324055 -0.6495656), wk = 0.0029586 k( 210) = ( 0.2232831 -0.3411530 -0.6666594), wk = 0.0029586 k( 211) = ( 0.2290083 -0.3499005 -0.6837533), wk = 0.0029586 k( 212) = ( 0.2347335 -0.3586480 -0.7008471), wk = 0.0029586 k( 213) = ( 0.2404587 -0.3673955 -0.7179409), wk = 0.0029586 k( 214) = ( 0.2461839 -0.3761431 -0.7350348), wk = 0.0029586 k( 215) = ( 0.2519091 -0.3848906 -0.7521286), wk = 0.0029586 k( 216) = ( 0.2576343 -0.3936381 -0.7692224), wk = 0.0029586 k( 217) = ( 0.2633595 -0.4023856 -0.7863163), wk = 0.0029586 k( 218) = ( 0.2690847 -0.4111331 -0.8034101), wk = 0.0029586 k( 219) = ( 0.2748099 -0.4198806 -0.8205039), wk = 0.0029586 k( 220) = ( 0.2805352 -0.4286281 -0.8375977), wk = 0.0029586 k( 221) = ( 0.2862604 -0.4373757 -0.8546916), wk = 0.0029586 k( 222) = ( 0.2919856 -0.4461232 -0.8717854), wk = 0.0029586 k( 223) = ( 0.2977108 -0.4548707 -0.8888792), wk = 0.0029586 k( 224) = ( 0.3034360 -0.4636182 -0.9059731), wk = 0.0029586 k( 225) = ( 0.3091612 -0.4723657 -0.9230669), wk = 0.0029586 k( 226) = ( 0.3148864 -0.4811132 -0.9401607), wk = 0.0029586 k( 227) = ( 0.3206116 -0.4898607 -0.9572546), wk = 0.0029586 k( 228) = ( 0.3263368 -0.4986082 -0.9743484), wk = 0.0029586 k( 229) = ( 0.3320620 -0.5073557 -0.9914422), wk = 0.0029586 k( 230) = ( 0.3377872 -0.5161033 -1.0085361), wk = 0.0029586 k( 231) = ( 0.3435124 -0.5248508 -1.0256299), wk = 0.0029586 k( 232) = ( 0.6564876 -0.3757726 -0.9344543), wk = 0.0029586 k( 233) = ( 0.6508987 -0.3570280 -0.9344543), wk = 0.0029586 k( 234) = ( 0.6453099 -0.3382833 -0.9344543), wk = 0.0029586 k( 235) = ( 0.6397211 -0.3195386 -0.9344543), wk = 0.0029586 k( 236) = ( 0.6341322 -0.3007939 -0.9344543), wk = 0.0029586 k( 237) = ( 0.6285434 -0.2820493 -0.9344543), wk = 0.0029586 k( 238) = ( 0.6229545 -0.2633046 -0.9344543), wk = 0.0029586 k( 239) = ( 0.6173657 -0.2445599 -0.9344543), wk = 0.0029586 k( 240) = ( 0.6117768 -0.2258153 -0.9344543), wk = 0.0029586 k( 241) = ( 0.6061880 -0.2070706 -0.9344543), wk = 0.0029586 k( 242) = ( 0.6005991 -0.1883259 -0.9344543), wk = 0.0029586 k( 243) = ( 0.5950103 -0.1695812 -0.9344543), wk = 0.0029586 k( 244) = ( 0.5894215 -0.1508366 -0.9344543), wk = 0.0029586 k( 245) = ( 0.5838326 -0.1320919 -0.9344543), wk = 0.0029586 k( 246) = ( 0.5782438 -0.1133473 -0.9344543), wk = 0.0029586 k( 247) = ( 0.5726549 -0.0946026 -0.9344543), wk = 0.0029586 k( 248) = ( 0.5670661 -0.0758579 -0.9344543), wk = 0.0029586 k( 249) = ( 0.5614773 -0.0571132 -0.9344543), wk = 0.0029586 k( 250) = ( 0.5558884 -0.0383686 -0.9344543), wk = 0.0029586 k( 251) = ( 0.5502996 -0.0196239 -0.9344543), wk = 0.0029586 k( 252) = ( 0.5447107 -0.0008792 -0.9344543), wk = 0.0029586 k( 253) = ( 0.5391219 0.0178655 -0.9344543), wk = 0.0029586 k( 254) = ( 0.5335330 0.0366101 -0.9344543), wk = 0.0029586 k( 255) = ( 0.5279442 0.0553548 -0.9344543), wk = 0.0029586 k( 256) = ( 0.5223554 0.0740995 -0.9344543), wk = 0.0029586 k( 257) = ( 0.5167665 0.0928441 -0.9344543), wk = 0.0029586 k( 258) = ( 0.5111777 0.1115888 -0.9344543), wk = 0.0029586 k( 259) = ( 0.5055888 0.1303335 -0.9344543), wk = 0.0029586 k( 260) = ( 0.5000000 0.1490782 -0.9344543), wk = 0.0029586 k( 261) = ( 0.5000000 0.1490782 -0.9344543), wk = 0.0029586 k( 262) = ( 0.5156488 0.1537439 -0.9253367), wk = 0.0029586 k( 263) = ( 0.5312975 0.1584097 -0.9162192), wk = 0.0029586 k( 264) = ( 0.5469463 0.1630755 -0.9071016), wk = 0.0029586 k( 265) = ( 0.5625950 0.1677413 -0.8979840), wk = 0.0029586 k( 266) = ( 0.5782438 0.1724070 -0.8888665), wk = 0.0029586 k( 267) = ( 0.5938925 0.1770728 -0.8797489), wk = 0.0029586 k( 268) = ( 0.6095413 0.1817386 -0.8706314), wk = 0.0029586 k( 269) = ( 0.6251901 0.1864044 -0.8615138), wk = 0.0029586 k( 270) = ( 0.6408388 0.1910701 -0.8523962), wk = 0.0029586 k( 271) = ( 0.6564876 0.1957359 -0.8432787), wk = 0.0029586 k( 272) = ( 0.6564876 0.1957359 -0.8432787), wk = 0.0029586 k( 273) = ( 0.6531581 0.1947432 -0.8233967), wk = 0.0029586 k( 274) = ( 0.6498285 0.1937505 -0.8035147), wk = 0.0029586 k( 275) = ( 0.6464990 0.1927578 -0.7836326), wk = 0.0029586 k( 276) = ( 0.6431695 0.1917650 -0.7637506), wk = 0.0029586 k( 277) = ( 0.6398400 0.1907723 -0.7438686), wk = 0.0029586 k( 278) = ( 0.6365104 0.1897796 -0.7239866), wk = 0.0029586 k( 279) = ( 0.6331809 0.1887869 -0.7041046), wk = 0.0029586 k( 280) = ( 0.6298514 0.1877942 -0.6842226), wk = 0.0029586 k( 281) = ( 0.6265219 0.1868014 -0.6643406), wk = 0.0029586 k( 282) = ( 0.6231923 0.1858087 -0.6444586), wk = 0.0029586 k( 283) = ( 0.6198628 0.1848160 -0.6245766), wk = 0.0029586 k( 284) = ( 0.6165333 0.1838233 -0.6046946), wk = 0.0029586 k( 285) = ( 0.6132038 0.1828306 -0.5848126), wk = 0.0029586 k( 286) = ( 0.6098742 0.1818379 -0.5649306), wk = 0.0029586 k( 287) = ( 0.6065447 0.1808451 -0.5450486), wk = 0.0029586 k( 288) = ( 0.6032152 0.1798524 -0.5251666), wk = 0.0029586 k( 289) = ( 0.5998857 0.1788597 -0.5052846), wk = 0.0029586 k( 290) = ( 0.5965562 0.1778670 -0.4854026), wk = 0.0029586 k( 291) = ( 0.5932266 0.1768743 -0.4655206), wk = 0.0029586 k( 292) = ( 0.5898971 0.1758815 -0.4456386), wk = 0.0029586 k( 293) = ( 0.5865676 0.1748888 -0.4257565), wk = 0.0029586 k( 294) = ( 0.5832381 0.1738961 -0.4058745), wk = 0.0029586 k( 295) = ( 0.5799085 0.1729034 -0.3859925), wk = 0.0029586 k( 296) = ( 0.5765790 0.1719107 -0.3661105), wk = 0.0029586 k( 297) = ( 0.5732495 0.1709180 -0.3462285), wk = 0.0029586 k( 298) = ( 0.5699200 0.1699252 -0.3263465), wk = 0.0029586 k( 299) = ( 0.5665905 0.1689325 -0.3064645), wk = 0.0029586 k( 300) = ( 0.5632609 0.1679398 -0.2865825), wk = 0.0029586 k( 301) = ( 0.5599314 0.1669471 -0.2667005), wk = 0.0029586 k( 302) = ( 0.5566019 0.1659544 -0.2468185), wk = 0.0029586 k( 303) = ( 0.5532724 0.1649616 -0.2269365), wk = 0.0029586 k( 304) = ( 0.5499428 0.1639689 -0.2070545), wk = 0.0029586 k( 305) = ( 0.5466133 0.1629762 -0.1871725), wk = 0.0029586 k( 306) = ( 0.5432838 0.1619835 -0.1672905), wk = 0.0029586 k( 307) = ( 0.5399543 0.1609908 -0.1474085), wk = 0.0029586 k( 308) = ( 0.5366247 0.1599981 -0.1275265), wk = 0.0029586 k( 309) = ( 0.5332952 0.1590053 -0.1076445), wk = 0.0029586 k( 310) = ( 0.5299657 0.1580126 -0.0877625), wk = 0.0029586 k( 311) = ( 0.5266362 0.1570199 -0.0678804), wk = 0.0029586 k( 312) = ( 0.5233067 0.1560272 -0.0479984), wk = 0.0029586 k( 313) = ( 0.5199771 0.1550345 -0.0281164), wk = 0.0029586 k( 314) = ( 0.5166476 0.1540417 -0.0082344), wk = 0.0029586 k( 315) = ( 0.5133181 0.1530490 0.0116476), wk = 0.0029586 k( 316) = ( 0.5099886 0.1520563 0.0315296), wk = 0.0029586 k( 317) = ( 0.5066590 0.1510636 0.0514116), wk = 0.0029586 k( 318) = ( 0.5033295 0.1500709 0.0712936), wk = 0.0029586 k( 319) = ( 0.5000000 0.1490782 0.0911756), wk = 0.0029586 k( 320) = ( 0.5000000 -0.7639473 -0.4672271), wk = 0.0029586 k( 321) = ( 0.5173875 -0.7556652 -0.4621618), wk = 0.0029586 k( 322) = ( 0.5347750 -0.7473831 -0.4570965), wk = 0.0029586 k( 323) = ( 0.5521625 -0.7391009 -0.4520312), wk = 0.0029586 k( 324) = ( 0.5695500 -0.7308188 -0.4469659), wk = 0.0029586 k( 325) = ( 0.5869375 -0.7225367 -0.4419006), wk = 0.0029586 k( 326) = ( 0.6043251 -0.7142546 -0.4368353), wk = 0.0029586 k( 327) = ( 0.6217126 -0.7059725 -0.4317700), wk = 0.0029586 k( 328) = ( 0.6391001 -0.6976903 -0.4267046), wk = 0.0029586 k( 329) = ( 0.6564876 -0.6894082 -0.4216393), wk = 0.0029586 k( 330) = ( 0.6738751 -0.6811261 -0.4165740), wk = 0.0029586 k( 331) = ( 0.6912626 -0.6728440 -0.4115087), wk = 0.0029586 k( 332) = ( 0.7086501 -0.6645618 -0.4064434), wk = 0.0029586 k( 333) = ( 0.7260376 -0.6562797 -0.4013781), wk = 0.0029586 k( 334) = ( 0.7434251 -0.6479976 -0.3963128), wk = 0.0029586 k( 335) = ( 0.7608126 -0.6397155 -0.3912475), wk = 0.0029586 k( 336) = ( 0.7782001 -0.6314334 -0.3861822), wk = 0.0029586 k( 337) = ( 0.7955876 -0.6231512 -0.3811168), wk = 0.0029586 k( 338) = ( 0.8129751 -0.6148691 -0.3760515), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0098039 -0.0000000 0.0000000), wk = 0.0029586 k( 3) = ( 0.0196078 -0.0000000 0.0000000), wk = 0.0029586 k( 4) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0029586 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0029586 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0029586 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0029586 k( 8) = ( 0.0686275 -0.0000000 0.0000000), wk = 0.0029586 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0029586 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0029586 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0029586 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0029586 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0029586 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0029586 k( 15) = ( 0.1372549 -0.0000000 0.0000000), wk = 0.0029586 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0029586 k( 17) = ( 0.1568627 -0.0000000 0.0000000), wk = 0.0029586 k( 18) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0029586 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0029586 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0029586 k( 21) = ( 0.1960784 -0.0000000 0.0000000), wk = 0.0029586 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0029586 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0029586 k( 24) = ( 0.2254902 -0.0000000 0.0000000), wk = 0.0029586 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0029586 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0029586 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0029586 k( 28) = ( 0.2647059 -0.0000000 0.0000000), wk = 0.0029586 k( 29) = ( 0.2745098 -0.0000000 0.0000000), wk = 0.0029586 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0029586 k( 31) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0029586 k( 32) = ( 0.3039216 -0.0000000 0.0000000), wk = 0.0029586 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0029586 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0029586 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0029586 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0029586 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0029586 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0029586 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0029586 k( 40) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0029586 k( 41) = ( 0.3921569 -0.0000000 0.0000000), wk = 0.0029586 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0029586 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0029586 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0029586 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0029586 k( 46) = ( 0.4411765 -0.0000000 0.0000000), wk = 0.0029586 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0029586 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0029586 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0029586 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0029586 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 54) = ( 0.5000000 0.0056674 -0.0056674), wk = 0.0029586 k( 55) = ( 0.5000000 0.0113348 -0.0113348), wk = 0.0029586 k( 56) = ( 0.5000000 0.0170023 -0.0170023), wk = 0.0029586 k( 57) = ( 0.5000000 0.0226697 -0.0226697), wk = 0.0029586 k( 58) = ( 0.5000000 0.0283371 -0.0283371), wk = 0.0029586 k( 59) = ( 0.5000000 0.0340045 -0.0340045), wk = 0.0029586 k( 60) = ( 0.5000000 0.0396719 -0.0396719), wk = 0.0029586 k( 61) = ( 0.5000000 0.0453394 -0.0453394), wk = 0.0029586 k( 62) = ( 0.5000000 0.0510068 -0.0510068), wk = 0.0029586 k( 63) = ( 0.5000000 0.0566742 -0.0566742), wk = 0.0029586 k( 64) = ( 0.5000000 0.0623416 -0.0623416), wk = 0.0029586 k( 65) = ( 0.5000000 0.0680090 -0.0680090), wk = 0.0029586 k( 66) = ( 0.5000000 0.0736765 -0.0736765), wk = 0.0029586 k( 67) = ( 0.5000000 0.0793439 -0.0793439), wk = 0.0029586 k( 68) = ( 0.5000000 0.0850113 -0.0850113), wk = 0.0029586 k( 69) = ( 0.5000000 0.0906787 -0.0906787), wk = 0.0029586 k( 70) = ( 0.5000000 0.0963461 -0.0963461), wk = 0.0029586 k( 71) = ( 0.5000000 0.1020136 -0.1020136), wk = 0.0029586 k( 72) = ( 0.5000000 0.1076810 -0.1076810), wk = 0.0029586 k( 73) = ( 0.5000000 0.1133484 -0.1133484), wk = 0.0029586 k( 74) = ( 0.5000000 0.1190158 -0.1190158), wk = 0.0029586 k( 75) = ( 0.5000000 0.1246832 -0.1246832), wk = 0.0029586 k( 76) = ( 0.5000000 0.1303507 -0.1303507), wk = 0.0029586 k( 77) = ( 0.5000000 0.1360181 -0.1360181), wk = 0.0029586 k( 78) = ( 0.5000000 0.1416855 -0.1416855), wk = 0.0029586 k( 79) = ( 0.5000000 0.1473529 -0.1473529), wk = 0.0029586 k( 80) = ( 0.5000000 0.1530203 -0.1530203), wk = 0.0029586 k( 81) = ( 0.5000000 0.1586878 -0.1586878), wk = 0.0029586 k( 82) = ( 0.5000000 0.1643552 -0.1643552), wk = 0.0029586 k( 83) = ( 0.5000000 0.1700226 -0.1700226), wk = 0.0029586 k( 84) = ( 0.5000000 0.1756900 -0.1756900), wk = 0.0029586 k( 85) = ( 0.5000000 0.1813574 -0.1813574), wk = 0.0029586 k( 86) = ( 0.5000000 0.1870249 -0.1870249), wk = 0.0029586 k( 87) = ( 0.8129751 0.5000000 0.1870249), wk = 0.0029586 k( 88) = ( 0.8072847 0.5000000 0.1927153), wk = 0.0029586 k( 89) = ( 0.8015942 0.5000000 0.1984058), wk = 0.0029586 k( 90) = ( 0.7959038 0.5000000 0.2040962), wk = 0.0029586 k( 91) = ( 0.7902133 0.5000000 0.2097867), wk = 0.0029586 k( 92) = ( 0.7845229 0.5000000 0.2154771), wk = 0.0029586 k( 93) = ( 0.7788324 0.5000000 0.2211676), wk = 0.0029586 k( 94) = ( 0.7731419 0.5000000 0.2268581), wk = 0.0029586 k( 95) = ( 0.7674515 0.5000000 0.2325485), wk = 0.0029586 k( 96) = ( 0.7617610 0.5000000 0.2382390), wk = 0.0029586 k( 97) = ( 0.7560706 0.5000000 0.2439294), wk = 0.0029586 k( 98) = ( 0.7503801 0.5000000 0.2496199), wk = 0.0029586 k( 99) = ( 0.7446897 0.5000000 0.2553103), wk = 0.0029586 k( 100) = ( 0.7389992 0.5000000 0.2610008), wk = 0.0029586 k( 101) = ( 0.7333087 0.5000000 0.2666913), wk = 0.0029586 k( 102) = ( 0.7276183 0.5000000 0.2723817), wk = 0.0029586 k( 103) = ( 0.7219278 0.5000000 0.2780722), wk = 0.0029586 k( 104) = ( 0.7162374 0.5000000 0.2837626), wk = 0.0029586 k( 105) = ( 0.7105469 0.5000000 0.2894531), wk = 0.0029586 k( 106) = ( 0.7048565 0.5000000 0.2951435), wk = 0.0029586 k( 107) = ( 0.6991660 0.5000000 0.3008340), wk = 0.0029586 k( 108) = ( 0.6934755 0.5000000 0.3065245), wk = 0.0029586 k( 109) = ( 0.6877851 0.5000000 0.3122149), wk = 0.0029586 k( 110) = ( 0.6820946 0.5000000 0.3179054), wk = 0.0029586 k( 111) = ( 0.6764042 0.5000000 0.3235958), wk = 0.0029586 k( 112) = ( 0.6707137 0.5000000 0.3292863), wk = 0.0029586 k( 113) = ( 0.6650233 0.5000000 0.3349767), wk = 0.0029586 k( 114) = ( 0.6593328 0.5000000 0.3406672), wk = 0.0029586 k( 115) = ( 0.6536423 0.5000000 0.3463577), wk = 0.0029586 k( 116) = ( 0.6479519 0.5000000 0.3520481), wk = 0.0029586 k( 117) = ( 0.6422614 0.5000000 0.3577386), wk = 0.0029586 k( 118) = ( 0.6365710 0.5000000 0.3634290), wk = 0.0029586 k( 119) = ( 0.6308805 0.5000000 0.3691195), wk = 0.0029586 k( 120) = ( 0.6251901 0.5000000 0.3748099), wk = 0.0029586 k( 121) = ( 0.6194996 0.5000000 0.3805004), wk = 0.0029586 k( 122) = ( 0.6138091 0.5000000 0.3861909), wk = 0.0029586 k( 123) = ( 0.6081187 0.5000000 0.3918813), wk = 0.0029586 k( 124) = ( 0.6024282 0.5000000 0.3975718), wk = 0.0029586 k( 125) = ( 0.5967378 0.5000000 0.4032622), wk = 0.0029586 k( 126) = ( 0.5910473 0.5000000 0.4089527), wk = 0.0029586 k( 127) = ( 0.5853569 0.5000000 0.4146431), wk = 0.0029586 k( 128) = ( 0.5796664 0.5000000 0.4203336), wk = 0.0029586 k( 129) = ( 0.5739759 0.5000000 0.4260241), wk = 0.0029586 k( 130) = ( 0.5682855 0.5000000 0.4317145), wk = 0.0029586 k( 131) = ( 0.5625950 0.5000000 0.4374050), wk = 0.0029586 k( 132) = ( 0.5569046 0.5000000 0.4430954), wk = 0.0029586 k( 133) = ( 0.5512141 0.5000000 0.4487859), wk = 0.0029586 k( 134) = ( 0.5455237 0.5000000 0.4544763), wk = 0.0029586 k( 135) = ( 0.5398332 0.5000000 0.4601668), wk = 0.0029586 k( 136) = ( 0.5341427 0.5000000 0.4658573), wk = 0.0029586 k( 137) = ( 0.5284523 0.5000000 0.4715477), wk = 0.0029586 k( 138) = ( 0.5227618 0.5000000 0.4772382), wk = 0.0029586 k( 139) = ( 0.5170714 0.5000000 0.4829286), wk = 0.0029586 k( 140) = ( 0.5113809 0.5000000 0.4886191), wk = 0.0029586 k( 141) = ( 0.5056905 0.5000000 0.4943095), wk = 0.0029586 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 144) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0029586 k( 145) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0029586 k( 146) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0029586 k( 147) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0029586 k( 148) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0029586 k( 149) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0029586 k( 150) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0029586 k( 151) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0029586 k( 152) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029586 k( 153) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0029586 k( 154) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0029586 k( 155) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0029586 k( 156) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0029586 k( 157) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0029586 k( 158) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0029586 k( 159) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0029586 k( 160) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0029586 k( 161) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029586 k( 162) = ( 0.1481482 0.1481482 0.1481481), wk = 0.0029586 k( 163) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0029586 k( 164) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0029586 k( 165) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0029586 k( 166) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0029586 k( 167) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0029586 k( 168) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0029586 k( 169) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0029586 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 172) = ( 0.0057252 -0.0000000 -0.0057252), wk = 0.0029586 k( 173) = ( 0.0114504 0.0000000 -0.0114504), wk = 0.0029586 k( 174) = ( 0.0171756 0.0000000 -0.0171756), wk = 0.0029586 k( 175) = ( 0.0229008 0.0000000 -0.0229008), wk = 0.0029586 k( 176) = ( 0.0286260 0.0000000 -0.0286260), wk = 0.0029586 k( 177) = ( 0.0343512 0.0000000 -0.0343512), wk = 0.0029586 k( 178) = ( 0.0400764 0.0000000 -0.0400764), wk = 0.0029586 k( 179) = ( 0.0458017 0.0000000 -0.0458017), wk = 0.0029586 k( 180) = ( 0.0515269 0.0000000 -0.0515269), wk = 0.0029586 k( 181) = ( 0.0572521 0.0000000 -0.0572521), wk = 0.0029586 k( 182) = ( 0.0629773 0.0000000 -0.0629773), wk = 0.0029586 k( 183) = ( 0.0687025 0.0000000 -0.0687025), wk = 0.0029586 k( 184) = ( 0.0744277 0.0000000 -0.0744277), wk = 0.0029586 k( 185) = ( 0.0801529 0.0000000 -0.0801529), wk = 0.0029586 k( 186) = ( 0.0858781 -0.0000000 -0.0858781), wk = 0.0029586 k( 187) = ( 0.0916033 0.0000000 -0.0916033), wk = 0.0029586 k( 188) = ( 0.0973285 -0.0000000 -0.0973285), wk = 0.0029586 k( 189) = ( 0.1030537 0.0000000 -0.1030537), wk = 0.0029586 k( 190) = ( 0.1087789 -0.0000000 -0.1087789), wk = 0.0029586 k( 191) = ( 0.1145041 0.0000000 -0.1145041), wk = 0.0029586 k( 192) = ( 0.1202293 0.0000000 -0.1202293), wk = 0.0029586 k( 193) = ( 0.1259546 0.0000000 -0.1259546), wk = 0.0029586 k( 194) = ( 0.1316798 0.0000000 -0.1316798), wk = 0.0029586 k( 195) = ( 0.1374050 0.0000000 -0.1374050), wk = 0.0029586 k( 196) = ( 0.1431302 -0.0000000 -0.1431302), wk = 0.0029586 k( 197) = ( 0.1488554 0.0000000 -0.1488554), wk = 0.0029586 k( 198) = ( 0.1545806 0.0000000 -0.1545806), wk = 0.0029586 k( 199) = ( 0.1603058 0.0000000 -0.1603058), wk = 0.0029586 k( 200) = ( 0.1660310 0.0000000 -0.1660310), wk = 0.0029586 k( 201) = ( 0.1717562 -0.0000000 -0.1717562), wk = 0.0029586 k( 202) = ( 0.1774814 -0.0000000 -0.1774814), wk = 0.0029586 k( 203) = ( 0.1832066 0.0000000 -0.1832066), wk = 0.0029586 k( 204) = ( 0.1889318 0.0000000 -0.1889318), wk = 0.0029586 k( 205) = ( 0.1946570 -0.0000000 -0.1946570), wk = 0.0029586 k( 206) = ( 0.2003823 0.0000000 -0.2003822), wk = 0.0029586 k( 207) = ( 0.2061075 0.0000000 -0.2061075), wk = 0.0029586 k( 208) = ( 0.2118327 0.0000000 -0.2118327), wk = 0.0029586 k( 209) = ( 0.2175579 0.0000000 -0.2175579), wk = 0.0029586 k( 210) = ( 0.2232831 0.0000000 -0.2232831), wk = 0.0029586 k( 211) = ( 0.2290083 0.0000000 -0.2290083), wk = 0.0029586 k( 212) = ( 0.2347335 0.0000000 -0.2347335), wk = 0.0029586 k( 213) = ( 0.2404587 0.0000000 -0.2404587), wk = 0.0029586 k( 214) = ( 0.2461839 0.0000000 -0.2461839), wk = 0.0029586 k( 215) = ( 0.2519091 0.0000000 -0.2519091), wk = 0.0029586 k( 216) = ( 0.2576343 -0.0000000 -0.2576343), wk = 0.0029586 k( 217) = ( 0.2633595 -0.0000000 -0.2633595), wk = 0.0029586 k( 218) = ( 0.2690847 0.0000000 -0.2690847), wk = 0.0029586 k( 219) = ( 0.2748099 0.0000000 -0.2748099), wk = 0.0029586 k( 220) = ( 0.2805352 -0.0000000 -0.2805351), wk = 0.0029586 k( 221) = ( 0.2862604 -0.0000000 -0.2862604), wk = 0.0029586 k( 222) = ( 0.2919856 0.0000000 -0.2919856), wk = 0.0029586 k( 223) = ( 0.2977108 0.0000000 -0.2977108), wk = 0.0029586 k( 224) = ( 0.3034360 0.0000000 -0.3034360), wk = 0.0029586 k( 225) = ( 0.3091612 -0.0000000 -0.3091612), wk = 0.0029586 k( 226) = ( 0.3148864 -0.0000000 -0.3148864), wk = 0.0029586 k( 227) = ( 0.3206116 0.0000000 -0.3206116), wk = 0.0029586 k( 228) = ( 0.3263368 -0.0000000 -0.3263368), wk = 0.0029586 k( 229) = ( 0.3320620 -0.0000000 -0.3320620), wk = 0.0029586 k( 230) = ( 0.3377872 0.0000000 -0.3377872), wk = 0.0029586 k( 231) = ( 0.3435124 -0.0000000 -0.3435124), wk = 0.0029586 k( 232) = ( 0.6564876 0.3435124 0.0000000), wk = 0.0029586 k( 233) = ( 0.6508987 0.3491013 0.0000000), wk = 0.0029586 k( 234) = ( 0.6453099 0.3546901 0.0000000), wk = 0.0029586 k( 235) = ( 0.6397211 0.3602790 0.0000000), wk = 0.0029586 k( 236) = ( 0.6341322 0.3658678 0.0000000), wk = 0.0029586 k( 237) = ( 0.6285434 0.3714566 0.0000000), wk = 0.0029586 k( 238) = ( 0.6229545 0.3770455 0.0000000), wk = 0.0029586 k( 239) = ( 0.6173657 0.3826343 0.0000000), wk = 0.0029586 k( 240) = ( 0.6117768 0.3882232 0.0000000), wk = 0.0029586 k( 241) = ( 0.6061880 0.3938120 0.0000000), wk = 0.0029586 k( 242) = ( 0.6005991 0.3994008 0.0000000), wk = 0.0029586 k( 243) = ( 0.5950103 0.4049897 0.0000000), wk = 0.0029586 k( 244) = ( 0.5894215 0.4105785 0.0000000), wk = 0.0029586 k( 245) = ( 0.5838326 0.4161674 0.0000000), wk = 0.0029586 k( 246) = ( 0.5782438 0.4217562 0.0000000), wk = 0.0029586 k( 247) = ( 0.5726549 0.4273451 0.0000000), wk = 0.0029586 k( 248) = ( 0.5670661 0.4329339 0.0000000), wk = 0.0029586 k( 249) = ( 0.5614773 0.4385227 0.0000000), wk = 0.0029586 k( 250) = ( 0.5558884 0.4441116 0.0000000), wk = 0.0029586 k( 251) = ( 0.5502996 0.4497004 0.0000000), wk = 0.0029586 k( 252) = ( 0.5447107 0.4552893 0.0000000), wk = 0.0029586 k( 253) = ( 0.5391219 0.4608781 0.0000000), wk = 0.0029586 k( 254) = ( 0.5335330 0.4664670 0.0000000), wk = 0.0029586 k( 255) = ( 0.5279442 0.4720558 0.0000000), wk = 0.0029586 k( 256) = ( 0.5223554 0.4776446 0.0000000), wk = 0.0029586 k( 257) = ( 0.5167665 0.4832335 0.0000000), wk = 0.0029586 k( 258) = ( 0.5111777 0.4888223 0.0000000), wk = 0.0029586 k( 259) = ( 0.5055888 0.4944112 0.0000000), wk = 0.0029586 k( 260) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 261) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 262) = ( 0.5156488 0.5156488 0.0187025), wk = 0.0029586 k( 263) = ( 0.5312975 0.5312975 0.0374050), wk = 0.0029586 k( 264) = ( 0.5469463 0.5469463 0.0561075), wk = 0.0029586 k( 265) = ( 0.5625950 0.5625950 0.0748099), wk = 0.0029586 k( 266) = ( 0.5782438 0.5782438 0.0935124), wk = 0.0029586 k( 267) = ( 0.5938925 0.5938925 0.1122149), wk = 0.0029586 k( 268) = ( 0.6095413 0.6095413 0.1309174), wk = 0.0029586 k( 269) = ( 0.6251901 0.6251901 0.1496199), wk = 0.0029586 k( 270) = ( 0.6408388 0.6408388 0.1683224), wk = 0.0029586 k( 271) = ( 0.6564876 0.6564876 0.1870249), wk = 0.0029586 k( 272) = ( 0.6564876 0.6564876 0.1870249), wk = 0.0029586 k( 273) = ( 0.6531581 0.6531581 0.1936839), wk = 0.0029586 k( 274) = ( 0.6498285 0.6498285 0.2003430), wk = 0.0029586 k( 275) = ( 0.6464990 0.6464990 0.2070020), wk = 0.0029586 k( 276) = ( 0.6431695 0.6431695 0.2136610), wk = 0.0029586 k( 277) = ( 0.6398400 0.6398400 0.2203201), wk = 0.0029586 k( 278) = ( 0.6365104 0.6365104 0.2269791), wk = 0.0029586 k( 279) = ( 0.6331809 0.6331809 0.2336382), wk = 0.0029586 k( 280) = ( 0.6298514 0.6298514 0.2402972), wk = 0.0029586 k( 281) = ( 0.6265219 0.6265219 0.2469563), wk = 0.0029586 k( 282) = ( 0.6231923 0.6231923 0.2536153), wk = 0.0029586 k( 283) = ( 0.6198628 0.6198628 0.2602744), wk = 0.0029586 k( 284) = ( 0.6165333 0.6165333 0.2669334), wk = 0.0029586 k( 285) = ( 0.6132038 0.6132038 0.2735924), wk = 0.0029586 k( 286) = ( 0.6098742 0.6098742 0.2802515), wk = 0.0029586 k( 287) = ( 0.6065447 0.6065447 0.2869105), wk = 0.0029586 k( 288) = ( 0.6032152 0.6032152 0.2935696), wk = 0.0029586 k( 289) = ( 0.5998857 0.5998857 0.3002286), wk = 0.0029586 k( 290) = ( 0.5965562 0.5965562 0.3068877), wk = 0.0029586 k( 291) = ( 0.5932266 0.5932266 0.3135467), wk = 0.0029586 k( 292) = ( 0.5898971 0.5898971 0.3202058), wk = 0.0029586 k( 293) = ( 0.5865676 0.5865676 0.3268648), wk = 0.0029586 k( 294) = ( 0.5832381 0.5832381 0.3335239), wk = 0.0029586 k( 295) = ( 0.5799085 0.5799085 0.3401829), wk = 0.0029586 k( 296) = ( 0.5765790 0.5765790 0.3468420), wk = 0.0029586 k( 297) = ( 0.5732495 0.5732495 0.3535010), wk = 0.0029586 k( 298) = ( 0.5699200 0.5699200 0.3601600), wk = 0.0029586 k( 299) = ( 0.5665905 0.5665905 0.3668191), wk = 0.0029586 k( 300) = ( 0.5632609 0.5632609 0.3734781), wk = 0.0029586 k( 301) = ( 0.5599314 0.5599314 0.3801372), wk = 0.0029586 k( 302) = ( 0.5566019 0.5566019 0.3867962), wk = 0.0029586 k( 303) = ( 0.5532724 0.5532724 0.3934553), wk = 0.0029586 k( 304) = ( 0.5499428 0.5499428 0.4001143), wk = 0.0029586 k( 305) = ( 0.5466133 0.5466133 0.4067734), wk = 0.0029586 k( 306) = ( 0.5432838 0.5432838 0.4134324), wk = 0.0029586 k( 307) = ( 0.5399543 0.5399543 0.4200914), wk = 0.0029586 k( 308) = ( 0.5366247 0.5366248 0.4267505), wk = 0.0029586 k( 309) = ( 0.5332952 0.5332952 0.4334095), wk = 0.0029586 k( 310) = ( 0.5299657 0.5299657 0.4400686), wk = 0.0029586 k( 311) = ( 0.5266362 0.5266362 0.4467276), wk = 0.0029586 k( 312) = ( 0.5233067 0.5233067 0.4533867), wk = 0.0029586 k( 313) = ( 0.5199771 0.5199771 0.4600457), wk = 0.0029586 k( 314) = ( 0.5166476 0.5166476 0.4667048), wk = 0.0029586 k( 315) = ( 0.5133181 0.5133181 0.4733638), wk = 0.0029586 k( 316) = ( 0.5099886 0.5099886 0.4800229), wk = 0.0029586 k( 317) = ( 0.5066590 0.5066590 0.4866819), wk = 0.0029586 k( 318) = ( 0.5033295 0.5033295 0.4933410), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 320) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 321) = ( 0.5173875 0.0190840 0.0190840), wk = 0.0029586 k( 322) = ( 0.5347750 0.0381681 0.0381681), wk = 0.0029586 k( 323) = ( 0.5521625 0.0572521 0.0572521), wk = 0.0029586 k( 324) = ( 0.5695500 0.0763361 0.0763361), wk = 0.0029586 k( 325) = ( 0.5869375 0.0954201 0.0954201), wk = 0.0029586 k( 326) = ( 0.6043251 0.1145041 0.1145041), wk = 0.0029586 k( 327) = ( 0.6217126 0.1335882 0.1335882), wk = 0.0029586 k( 328) = ( 0.6391001 0.1526722 0.1526722), wk = 0.0029586 k( 329) = ( 0.6564876 0.1717562 0.1717562), wk = 0.0029586 k( 330) = ( 0.6738751 0.1908402 0.1908402), wk = 0.0029586 k( 331) = ( 0.6912626 0.2099243 0.2099243), wk = 0.0029586 k( 332) = ( 0.7086501 0.2290083 0.2290083), wk = 0.0029586 k( 333) = ( 0.7260376 0.2480923 0.2480923), wk = 0.0029586 k( 334) = ( 0.7434251 0.2671763 0.2671763), wk = 0.0029586 k( 335) = ( 0.7608126 0.2862604 0.2862604), wk = 0.0029586 k( 336) = ( 0.7782001 0.3053444 0.3053444), wk = 0.0029586 k( 337) = ( 0.7955876 0.3244284 0.3244284), wk = 0.0029586 k( 338) = ( 0.8129751 0.3435124 0.3435124), wk = 0.0029586 Dense grid: 45953 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 16253 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 130, 34) NL pseudopotentials 0.08 Mb ( 65, 82) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1277) G-vector shells 0.01 Mb ( 1076) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 130, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.09 Mb ( 82, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Y2C.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 5.9 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.1 secs Computing kpt #: 19 total cpu time spent up to now is 7.3 secs Computing kpt #: 20 total cpu time spent up to now is 7.6 secs Computing kpt #: 21 total cpu time spent up to now is 7.8 secs Computing kpt #: 22 total cpu time spent up to now is 8.0 secs Computing kpt #: 23 total cpu time spent up to now is 8.3 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.7 secs Computing kpt #: 26 total cpu time spent up to now is 9.0 secs Computing kpt #: 27 total cpu time spent up to now is 9.2 secs Computing kpt #: 28 total cpu time spent up to now is 9.5 secs Computing kpt #: 29 total cpu time spent up to now is 9.7 secs Computing kpt #: 30 total cpu time spent up to now is 9.9 secs Computing kpt #: 31 total cpu time spent up to now is 10.2 secs Computing kpt #: 32 total cpu time spent up to now is 10.4 secs Computing kpt #: 33 total cpu time spent up to now is 10.7 secs Computing kpt #: 34 total cpu time spent up to now is 10.9 secs Computing kpt #: 35 total cpu time spent up to now is 11.2 secs Computing kpt #: 36 total cpu time spent up to now is 11.5 secs Computing kpt #: 37 total cpu time spent up to now is 11.7 secs Computing kpt #: 38 total cpu time spent up to now is 12.0 secs Computing kpt #: 39 total cpu time spent up to now is 12.3 secs Computing kpt #: 40 total cpu time spent up to now is 12.5 secs Computing kpt #: 41 total cpu time spent up to now is 12.8 secs Computing kpt #: 42 total cpu time spent up to now is 13.0 secs Computing kpt #: 43 total cpu time spent up to now is 13.3 secs Computing kpt #: 44 total cpu time spent up to now is 13.5 secs Computing kpt #: 45 total cpu time spent up to now is 13.8 secs Computing kpt #: 46 total cpu time spent up to now is 14.0 secs Computing kpt #: 47 total cpu time spent up to now is 14.2 secs Computing kpt #: 48 total cpu time spent up to now is 14.5 secs Computing kpt #: 49 total cpu time spent up to now is 14.7 secs Computing kpt #: 50 total cpu time spent up to now is 15.0 secs Computing kpt #: 51 total cpu time spent up to now is 15.2 secs Computing kpt #: 52 total cpu time spent up to now is 15.4 secs Computing kpt #: 53 total cpu time spent up to now is 15.7 secs Computing kpt #: 54 total cpu time spent up to now is 15.9 secs Computing kpt #: 55 total cpu time spent up to now is 16.1 secs Computing kpt #: 56 total cpu time spent up to now is 16.4 secs Computing kpt #: 57 total cpu time spent up to now is 16.7 secs Computing kpt #: 58 total cpu time spent up to now is 17.0 secs Computing kpt #: 59 total cpu time spent up to now is 17.3 secs Computing kpt #: 60 total cpu time spent up to now is 17.7 secs Computing kpt #: 61 total cpu time spent up to now is 18.2 secs Computing kpt #: 62 total cpu time spent up to now is 18.6 secs Computing kpt #: 63 total cpu time spent up to now is 19.0 secs Computing kpt #: 64 total cpu time spent up to now is 19.3 secs Computing kpt #: 65 total cpu time spent up to now is 19.7 secs Computing kpt #: 66 total cpu time spent up to now is 20.0 secs Computing kpt #: 67 total cpu time spent up to now is 20.4 secs Computing kpt #: 68 total cpu time spent up to now is 20.9 secs Computing kpt #: 69 total cpu time spent up to now is 21.3 secs Computing kpt #: 70 total cpu time spent up to now is 21.8 secs Computing kpt #: 71 total cpu time spent up to now is 22.1 secs Computing kpt #: 72 total cpu time spent up to now is 22.4 secs Computing kpt #: 73 total cpu time spent up to now is 22.7 secs Computing kpt #: 74 total cpu time spent up to now is 23.0 secs Computing kpt #: 75 total cpu time spent up to now is 23.2 secs Computing kpt #: 76 total cpu time spent up to now is 23.5 secs Computing kpt #: 77 total cpu time spent up to now is 23.7 secs Computing kpt #: 78 total cpu time spent up to now is 24.0 secs Computing kpt #: 79 total cpu time spent up to now is 24.2 secs Computing kpt #: 80 total cpu time spent up to now is 24.5 secs Computing kpt #: 81 total cpu time spent up to now is 24.7 secs Computing kpt #: 82 total cpu time spent up to now is 24.9 secs Computing kpt #: 83 total cpu time spent up to now is 25.2 secs Computing kpt #: 84 total cpu time spent up to now is 25.4 secs Computing kpt #: 85 total cpu time spent up to now is 25.6 secs Computing kpt #: 86 total cpu time spent up to now is 25.9 secs Computing kpt #: 87 total cpu time spent up to now is 26.1 secs Computing kpt #: 88 total cpu time spent up to now is 26.3 secs Computing kpt #: 89 total cpu time spent up to now is 26.6 secs Computing kpt #: 90 total cpu time spent up to now is 26.8 secs Computing kpt #: 91 total cpu time spent up to now is 27.0 secs Computing kpt #: 92 total cpu time spent up to now is 27.2 secs Computing kpt #: 93 total cpu time spent up to now is 27.5 secs Computing kpt #: 94 total cpu time spent up to now is 27.7 secs Computing kpt #: 95 total cpu time spent up to now is 27.9 secs Computing kpt #: 96 total cpu time spent up to now is 28.2 secs Computing kpt #: 97 total cpu time spent up to now is 28.4 secs Computing kpt #: 98 total cpu time spent up to now is 28.6 secs Computing kpt #: 99 total cpu time spent up to now is 28.8 secs Computing kpt #: 100 total cpu time spent up to now is 29.1 secs Computing kpt #: 101 total cpu time spent up to now is 29.3 secs Computing kpt #: 102 total cpu time spent up to now is 29.5 secs Computing kpt #: 103 total cpu time spent up to now is 29.8 secs Computing kpt #: 104 total cpu time spent up to now is 30.0 secs Computing kpt #: 105 total cpu time spent up to now is 30.2 secs Computing kpt #: 106 total cpu time spent up to now is 30.5 secs Computing kpt #: 107 total cpu time spent up to now is 30.7 secs Computing kpt #: 108 total cpu time spent up to now is 30.9 secs Computing kpt #: 109 total cpu time spent up to now is 31.2 secs Computing kpt #: 110 total cpu time spent up to now is 31.4 secs Computing kpt #: 111 total cpu time spent up to now is 31.7 secs Computing kpt #: 112 total cpu time spent up to now is 31.9 secs Computing kpt #: 113 total cpu time spent up to now is 32.2 secs Computing kpt #: 114 total cpu time spent up to now is 32.5 secs Computing kpt #: 115 total cpu time spent up to now is 32.9 secs Computing kpt #: 116 total cpu time spent up to now is 33.2 secs Computing kpt #: 117 total cpu time spent up to now is 33.7 secs Computing kpt #: 118 total cpu time spent up to now is 34.0 secs Computing kpt #: 119 total cpu time spent up to now is 34.3 secs Computing kpt #: 120 total cpu time spent up to now is 34.6 secs Computing kpt #: 121 total cpu time spent up to now is 34.8 secs Computing kpt #: 122 total cpu time spent up to now is 35.1 secs Computing kpt #: 123 total cpu time spent up to now is 35.3 secs Computing kpt #: 124 total cpu time spent up to now is 35.6 secs Computing kpt #: 125 total cpu time spent up to now is 35.8 secs Computing kpt #: 126 total cpu time spent up to now is 36.1 secs Computing kpt #: 127 total cpu time spent up to now is 36.4 secs Computing kpt #: 128 total cpu time spent up to now is 36.6 secs Computing kpt #: 129 total cpu time spent up to now is 36.9 secs Computing kpt #: 130 total cpu time spent up to now is 37.2 secs Computing kpt #: 131 total cpu time spent up to now is 37.5 secs Computing kpt #: 132 total cpu time spent up to now is 37.8 secs Computing kpt #: 133 total cpu time spent up to now is 38.1 secs Computing kpt #: 134 total cpu time spent up to now is 38.5 secs Computing kpt #: 135 total cpu time spent up to now is 38.9 secs Computing kpt #: 136 total cpu time spent up to now is 39.3 secs Computing kpt #: 137 total cpu time spent up to now is 39.8 secs Computing kpt #: 138 total cpu time spent up to now is 40.3 secs Computing kpt #: 139 total cpu time spent up to now is 40.8 secs Computing kpt #: 140 total cpu time spent up to now is 41.2 secs Computing kpt #: 141 total cpu time spent up to now is 41.7 secs Computing kpt #: 142 total cpu time spent up to now is 42.1 secs Computing kpt #: 143 total cpu time spent up to now is 42.6 secs Computing kpt #: 144 total cpu time spent up to now is 43.0 secs Computing kpt #: 145 total cpu time spent up to now is 43.5 secs Computing kpt #: 146 total cpu time spent up to now is 43.9 secs Computing kpt #: 147 total cpu time spent up to now is 44.4 secs Computing kpt #: 148 total cpu time spent up to now is 44.8 secs Computing kpt #: 149 total cpu time spent up to now is 45.1 secs Computing kpt #: 150 total cpu time spent up to now is 45.5 secs Computing kpt #: 151 total cpu time spent up to now is 45.8 secs Computing kpt #: 152 total cpu time spent up to now is 46.1 secs Computing kpt #: 153 total cpu time spent up to now is 46.5 secs Computing kpt #: 154 total cpu time spent up to now is 46.8 secs Computing kpt #: 155 total cpu time spent up to now is 47.2 secs Computing kpt #: 156 total cpu time spent up to now is 47.9 secs Computing kpt #: 157 total cpu time spent up to now is 48.2 secs Computing kpt #: 158 total cpu time spent up to now is 48.8 secs Computing kpt #: 159 total cpu time spent up to now is 49.3 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.2 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.1 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 164 total cpu time spent up to now is 53.1 secs Computing kpt #: 165 total cpu time spent up to now is 53.3 secs Computing kpt #: 166 total cpu time spent up to now is 53.6 secs Computing kpt #: 167 total cpu time spent up to now is 53.8 secs Computing kpt #: 168 total cpu time spent up to now is 54.0 secs Computing kpt #: 169 total cpu time spent up to now is 54.2 secs Computing kpt #: 170 total cpu time spent up to now is 54.5 secs Computing kpt #: 171 total cpu time spent up to now is 54.7 secs Computing kpt #: 172 total cpu time spent up to now is 55.2 secs Computing kpt #: 173 total cpu time spent up to now is 55.6 secs Computing kpt #: 174 total cpu time spent up to now is 55.9 secs Computing kpt #: 175 total cpu time spent up to now is 56.2 secs Computing kpt #: 176 total cpu time spent up to now is 56.5 secs Computing kpt #: 177 total cpu time spent up to now is 56.7 secs Computing kpt #: 178 total cpu time spent up to now is 56.9 secs Computing kpt #: 179 total cpu time spent up to now is 57.2 secs Computing kpt #: 180 total cpu time spent up to now is 57.4 secs Computing kpt #: 181 total cpu time spent up to now is 57.7 secs Computing kpt #: 182 total cpu time spent up to now is 57.9 secs Computing kpt #: 183 total cpu time spent up to now is 58.1 secs Computing kpt #: 184 total cpu time spent up to now is 58.4 secs Computing kpt #: 185 total cpu time spent up to now is 58.6 secs Computing kpt #: 186 total cpu time spent up to now is 58.8 secs Computing kpt #: 187 total cpu time spent up to now is 59.1 secs Computing kpt #: 188 total cpu time spent up to now is 59.3 secs Computing kpt #: 189 total cpu time spent up to now is 59.5 secs Computing kpt #: 190 total cpu time spent up to now is 59.8 secs Computing kpt #: 191 total cpu time spent up to now is 60.0 secs Computing kpt #: 192 total cpu time spent up to now is 60.2 secs Computing kpt #: 193 total cpu time spent up to now is 60.5 secs Computing kpt #: 194 total cpu time spent up to now is 60.7 secs Computing kpt #: 195 total cpu time spent up to now is 60.9 secs Computing kpt #: 196 total cpu time spent up to now is 61.1 secs Computing kpt #: 197 total cpu time spent up to now is 61.4 secs Computing kpt #: 198 total cpu time spent up to now is 61.6 secs Computing kpt #: 199 total cpu time spent up to now is 61.8 secs Computing kpt #: 200 total cpu time spent up to now is 62.0 secs Computing kpt #: 201 total cpu time spent up to now is 62.3 secs Computing kpt #: 202 total cpu time spent up to now is 62.5 secs Computing kpt #: 203 total cpu time spent up to now is 63.1 secs Computing kpt #: 204 total cpu time spent up to now is 63.3 secs Computing kpt #: 205 total cpu time spent up to now is 63.6 secs Computing kpt #: 206 total cpu time spent up to now is 63.8 secs Computing kpt #: 207 total cpu time spent up to now is 64.0 secs Computing kpt #: 208 total cpu time spent up to now is 64.3 secs Computing kpt #: 209 total cpu time spent up to now is 64.5 secs Computing kpt #: 210 total cpu time spent up to now is 64.7 secs Computing kpt #: 211 total cpu time spent up to now is 65.0 secs Computing kpt #: 212 total cpu time spent up to now is 65.2 secs Computing kpt #: 213 total cpu time spent up to now is 65.4 secs Computing kpt #: 214 total cpu time spent up to now is 65.7 secs Computing kpt #: 215 total cpu time spent up to now is 65.9 secs Computing kpt #: 216 total cpu time spent up to now is 66.2 secs Computing kpt #: 217 total cpu time spent up to now is 66.4 secs Computing kpt #: 218 total cpu time spent up to now is 66.7 secs Computing kpt #: 219 total cpu time spent up to now is 66.9 secs Computing kpt #: 220 total cpu time spent up to now is 67.2 secs Computing kpt #: 221 total cpu time spent up to now is 67.4 secs Computing kpt #: 222 total cpu time spent up to now is 67.7 secs Computing kpt #: 223 total cpu time spent up to now is 67.9 secs Computing kpt #: 224 total cpu time spent up to now is 68.2 secs Computing kpt #: 225 total cpu time spent up to now is 68.4 secs Computing kpt #: 226 total cpu time spent up to now is 68.6 secs Computing kpt #: 227 total cpu time spent up to now is 68.9 secs Computing kpt #: 228 total cpu time spent up to now is 69.1 secs Computing kpt #: 229 total cpu time spent up to now is 69.4 secs Computing kpt #: 230 total cpu time spent up to now is 69.6 secs Computing kpt #: 231 total cpu time spent up to now is 69.8 secs Computing kpt #: 232 total cpu time spent up to now is 70.1 secs Computing kpt #: 233 total cpu time spent up to now is 70.3 secs Computing kpt #: 234 total cpu time spent up to now is 70.5 secs Computing kpt #: 235 total cpu time spent up to now is 70.8 secs Computing kpt #: 236 total cpu time spent up to now is 71.0 secs Computing kpt #: 237 total cpu time spent up to now is 71.2 secs Computing kpt #: 238 total cpu time spent up to now is 71.5 secs Computing kpt #: 239 total cpu time spent up to now is 71.7 secs Computing kpt #: 240 total cpu time spent up to now is 71.9 secs Computing kpt #: 241 total cpu time spent up to now is 72.2 secs Computing kpt #: 242 total cpu time spent up to now is 72.4 secs Computing kpt #: 243 total cpu time spent up to now is 72.6 secs Computing kpt #: 244 total cpu time spent up to now is 72.9 secs Computing kpt #: 245 total cpu time spent up to now is 73.1 secs Computing kpt #: 246 total cpu time spent up to now is 73.4 secs Computing kpt #: 247 total cpu time spent up to now is 73.6 secs Computing kpt #: 248 total cpu time spent up to now is 73.8 secs Computing kpt #: 249 total cpu time spent up to now is 74.1 secs Computing kpt #: 250 total cpu time spent up to now is 74.3 secs Computing kpt #: 251 total cpu time spent up to now is 74.6 secs Computing kpt #: 252 total cpu time spent up to now is 74.8 secs Computing kpt #: 253 total cpu time spent up to now is 75.1 secs Computing kpt #: 254 total cpu time spent up to now is 75.4 secs Computing kpt #: 255 total cpu time spent up to now is 75.6 secs Computing kpt #: 256 total cpu time spent up to now is 75.9 secs Computing kpt #: 257 total cpu time spent up to now is 76.1 secs Computing kpt #: 258 total cpu time spent up to now is 76.4 secs Computing kpt #: 259 total cpu time spent up to now is 76.6 secs Computing kpt #: 260 total cpu time spent up to now is 76.9 secs Computing kpt #: 261 total cpu time spent up to now is 77.2 secs Computing kpt #: 262 total cpu time spent up to now is 77.4 secs Computing kpt #: 263 total cpu time spent up to now is 77.7 secs Computing kpt #: 264 total cpu time spent up to now is 78.0 secs Computing kpt #: 265 total cpu time spent up to now is 78.2 secs Computing kpt #: 266 total cpu time spent up to now is 78.5 secs Computing kpt #: 267 total cpu time spent up to now is 78.7 secs Computing kpt #: 268 total cpu time spent up to now is 79.0 secs Computing kpt #: 269 total cpu time spent up to now is 79.3 secs Computing kpt #: 270 total cpu time spent up to now is 79.5 secs Computing kpt #: 271 total cpu time spent up to now is 79.8 secs Computing kpt #: 272 total cpu time spent up to now is 80.1 secs Computing kpt #: 273 total cpu time spent up to now is 80.3 secs Computing kpt #: 274 total cpu time spent up to now is 80.6 secs Computing kpt #: 275 total cpu time spent up to now is 80.9 secs Computing kpt #: 276 total cpu time spent up to now is 81.2 secs Computing kpt #: 277 total cpu time spent up to now is 81.5 secs Computing kpt #: 278 total cpu time spent up to now is 81.7 secs Computing kpt #: 279 total cpu time spent up to now is 82.0 secs Computing kpt #: 280 total cpu time spent up to now is 82.3 secs Computing kpt #: 281 total cpu time spent up to now is 82.5 secs Computing kpt #: 282 total cpu time spent up to now is 82.8 secs Computing kpt #: 283 total cpu time spent up to now is 83.1 secs Computing kpt #: 284 total cpu time spent up to now is 83.3 secs Computing kpt #: 285 total cpu time spent up to now is 83.6 secs Computing kpt #: 286 total cpu time spent up to now is 83.9 secs Computing kpt #: 287 total cpu time spent up to now is 84.1 secs Computing kpt #: 288 total cpu time spent up to now is 84.4 secs Computing kpt #: 289 total cpu time spent up to now is 84.7 secs Computing kpt #: 290 total cpu time spent up to now is 85.0 secs Computing kpt #: 291 total cpu time spent up to now is 85.3 secs Computing kpt #: 292 total cpu time spent up to now is 85.6 secs Computing kpt #: 293 total cpu time spent up to now is 85.9 secs Computing kpt #: 294 total cpu time spent up to now is 86.1 secs Computing kpt #: 295 total cpu time spent up to now is 86.4 secs Computing kpt #: 296 total cpu time spent up to now is 86.7 secs Computing kpt #: 297 total cpu time spent up to now is 86.9 secs Computing kpt #: 298 total cpu time spent up to now is 87.2 secs Computing kpt #: 299 total cpu time spent up to now is 87.4 secs Computing kpt #: 300 total cpu time spent up to now is 87.7 secs Computing kpt #: 301 total cpu time spent up to now is 88.0 secs Computing kpt #: 302 total cpu time spent up to now is 88.3 secs Computing kpt #: 303 total cpu time spent up to now is 88.5 secs Computing kpt #: 304 total cpu time spent up to now is 88.8 secs Computing kpt #: 305 total cpu time spent up to now is 89.1 secs Computing kpt #: 306 total cpu time spent up to now is 89.4 secs Computing kpt #: 307 total cpu time spent up to now is 89.7 secs Computing kpt #: 308 total cpu time spent up to now is 90.0 secs Computing kpt #: 309 total cpu time spent up to now is 90.4 secs Computing kpt #: 310 total cpu time spent up to now is 90.7 secs Computing kpt #: 311 total cpu time spent up to now is 91.1 secs Computing kpt #: 312 total cpu time spent up to now is 91.4 secs Computing kpt #: 313 total cpu time spent up to now is 91.8 secs Computing kpt #: 314 total cpu time spent up to now is 92.2 secs Computing kpt #: 315 total cpu time spent up to now is 92.7 secs Computing kpt #: 316 total cpu time spent up to now is 93.2 secs Computing kpt #: 317 total cpu time spent up to now is 93.6 secs Computing kpt #: 318 total cpu time spent up to now is 94.1 secs Computing kpt #: 319 total cpu time spent up to now is 94.5 secs Computing kpt #: 320 total cpu time spent up to now is 94.8 secs Computing kpt #: 321 total cpu time spent up to now is 95.0 secs Computing kpt #: 322 total cpu time spent up to now is 95.3 secs Computing kpt #: 323 total cpu time spent up to now is 95.5 secs Computing kpt #: 324 total cpu time spent up to now is 95.8 secs Computing kpt #: 325 total cpu time spent up to now is 96.0 secs Computing kpt #: 326 total cpu time spent up to now is 96.3 secs Computing kpt #: 327 total cpu time spent up to now is 96.5 secs Computing kpt #: 328 total cpu time spent up to now is 96.8 secs Computing kpt #: 329 total cpu time spent up to now is 97.0 secs Computing kpt #: 330 total cpu time spent up to now is 97.3 secs Computing kpt #: 331 total cpu time spent up to now is 97.5 secs Computing kpt #: 332 total cpu time spent up to now is 97.8 secs Computing kpt #: 333 total cpu time spent up to now is 98.0 secs Computing kpt #: 334 total cpu time spent up to now is 98.3 secs Computing kpt #: 335 total cpu time spent up to now is 98.5 secs Computing kpt #: 336 total cpu time spent up to now is 98.8 secs Computing kpt #: 337 total cpu time spent up to now is 99.1 secs Computing kpt #: 338 total cpu time spent up to now is 99.3 secs ethr = 3.85E-08, avg # of iterations = 20.7 total cpu time spent up to now is 99.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2015 PWs) bands (ev): -32.1142 -32.1142 -32.0412 -32.0412 -13.1482 -13.1482 -12.8802 -12.8802 -11.8264 -11.8264 -11.4978 -11.4978 -11.4215 -11.4215 -11.4064 -11.4064 0.7320 0.7320 6.5969 6.5969 7.9810 7.9810 8.6202 8.6202 8.6250 8.6250 11.9921 11.9921 12.0221 12.0221 12.1693 12.1693 13.8312 13.8315 k = 0.0098-0.0150-0.0092 ( 2014 PWs) bands (ev): -32.1141 -32.1141 -32.0412 -32.0412 -13.1482 -13.1482 -12.8804 -12.8804 -11.8264 -11.8264 -11.4981 -11.4981 -11.4218 -11.4218 -11.4066 -11.4066 0.7328 0.7328 6.5986 6.5986 7.9757 7.9757 8.6220 8.6220 8.6287 8.6287 11.9908 11.9908 12.0212 12.0212 12.1701 12.1701 13.7924 13.7925 k = 0.0196-0.0300-0.0183 ( 2014 PWs) bands (ev): -32.1139 -32.1139 -32.0412 -32.0412 -13.1482 -13.1482 -12.8810 -12.8810 -11.8265 -11.8265 -11.4990 -11.4990 -11.4227 -11.4227 -11.4069 -11.4069 0.7354 0.7354 6.6038 6.6038 7.9603 7.9603 8.6240 8.6240 8.6427 8.6427 11.9850 11.9850 12.0205 12.0205 12.1725 12.1725 13.7115 13.7115 k = 0.0294-0.0449-0.0275 ( 2012 PWs) bands (ev): -32.1137 -32.1137 -32.0410 -32.0410 -13.1483 -13.1483 -12.8820 -12.8820 -11.8266 -11.8266 -11.5005 -11.5005 -11.4242 -11.4242 -11.4075 -11.4075 0.7396 0.7396 6.6125 6.6125 7.9362 7.9362 8.6263 8.6263 8.6654 8.6654 11.9715 11.9715 12.0231 12.0231 12.1766 12.1766 13.6181 13.6181 k = 0.0392-0.0599-0.0366 ( 2012 PWs) bands (ev): -32.1133 -32.1133 -32.0409 -32.0409 -13.1484 -13.1484 -12.8834 -12.8834 -11.8267 -11.8267 -11.5025 -11.5025 -11.4264 -11.4264 -11.4082 -11.4082 0.7454 0.7454 6.6246 6.6246 7.9055 7.9055 8.6293 8.6293 8.6943 8.6943 11.9498 11.9498 12.0297 12.0297 12.1825 12.1825 13.5203 13.5203 k = 0.0490-0.0749-0.0458 ( 2019 PWs) bands (ev): -32.1128 -32.1128 -32.0407 -32.0407 -13.1485 -13.1485 -12.8852 -12.8852 -11.8270 -11.8270 -11.5050 -11.5050 -11.4292 -11.4292 -11.4091 -11.4091 0.7529 0.7529 6.6401 6.6401 7.8697 7.8697 8.6330 8.6330 8.7277 8.7277 11.9209 11.9209 12.0396 12.0396 12.1904 12.1904 13.4208 13.4208 k = 0.0588-0.0899-0.0550 ( 2021 PWs) bands (ev): -32.1122 -32.1122 -32.0405 -32.0405 -13.1486 -13.1486 -12.8874 -12.8874 -11.8272 -11.8272 -11.5081 -11.5081 -11.4327 -11.4327 -11.4101 -11.4101 0.7619 0.7619 6.6590 6.6590 7.8306 7.8306 8.6375 8.6375 8.7638 8.7638 11.8856 11.8856 12.0522 12.0522 12.2001 12.2001 13.3206 13.3206 k = 0.0686-0.1049-0.0641 ( 2020 PWs) bands (ev): -32.1115 -32.1115 -32.0402 -32.0402 -13.1488 -13.1488 -12.8899 -12.8899 -11.8275 -11.8275 -11.5117 -11.5117 -11.4369 -11.4369 -11.4112 -11.4112 0.7725 0.7725 6.6811 6.6811 7.7893 7.7893 8.6426 8.6426 8.8014 8.8014 11.8445 11.8445 12.0674 12.0674 12.2118 12.2118 13.2205 13.2205 k = 0.0784-0.1198-0.0733 ( 2022 PWs) bands (ev): -32.1107 -32.1107 -32.0399 -32.0399 -13.1490 -13.1490 -12.8929 -12.8929 -11.8279 -11.8279 -11.5157 -11.5157 -11.4417 -11.4417 -11.4125 -11.4125 0.7844 0.7844 6.7064 6.7064 7.7468 7.7468 8.6484 8.6484 8.8395 8.8395 11.7984 11.7984 12.0849 12.0849 12.2253 12.2253 13.1207 13.1207 k = 0.0882-0.1348-0.0825 ( 2020 PWs) bands (ev): -32.1098 -32.1098 -32.0395 -32.0395 -13.1493 -13.1493 -12.8962 -12.8962 -11.8282 -11.8282 -11.5203 -11.5203 -11.4472 -11.4472 -11.4138 -11.4138 0.7978 0.7978 6.7349 6.7349 7.7039 7.7039 8.6547 8.6547 8.8771 8.8771 11.7477 11.7477 12.1047 12.1047 12.2407 12.2407 13.0217 13.0217 k = 0.0980-0.1498-0.0916 ( 2020 PWs) bands (ev): -32.1088 -32.1088 -32.0391 -32.0391 -13.1496 -13.1496 -12.8998 -12.8998 -11.8286 -11.8286 -11.5252 -11.5252 -11.4532 -11.4532 -11.4153 -11.4153 0.8124 0.8124 6.7664 6.7664 7.6611 7.6611 8.6616 8.6616 8.9136 8.9136 11.6932 11.6932 12.1266 12.1266 12.2579 12.2579 12.9236 12.9236 k = 0.1078-0.1648-0.1008 ( 2022 PWs) bands (ev): -32.1077 -32.1077 -32.0387 -32.0387 -13.1499 -13.1499 -12.9038 -12.9038 -11.8291 -11.8291 -11.5306 -11.5306 -11.4597 -11.4597 -11.4170 -11.4170 0.8282 0.8282 6.8009 6.8009 7.6191 7.6191 8.6689 8.6689 8.9485 8.9485 11.6353 11.6353 12.1506 12.1506 12.2769 12.2769 12.8267 12.8267 k = 0.1176-0.1798-0.1099 ( 2024 PWs) bands (ev): -32.1066 -32.1066 -32.0383 -32.0383 -13.1503 -13.1503 -12.9082 -12.9082 -11.8295 -11.8295 -11.5364 -11.5364 -11.4667 -11.4667 -11.4187 -11.4187 0.8451 0.8451 6.8382 6.8382 7.5780 7.5780 8.6766 8.6766 8.9814 8.9814 11.5748 11.5748 12.1765 12.1765 12.2974 12.2974 12.7312 12.7312 k = 0.1275-0.1947-0.1191 ( 2026 PWs) bands (ev): -32.1053 -32.1053 -32.0378 -32.0378 -13.1507 -13.1507 -12.9129 -12.9129 -11.8300 -11.8300 -11.5425 -11.5425 -11.4742 -11.4742 -11.4206 -11.4206 0.8630 0.8630 6.8782 6.8782 7.5382 7.5382 8.6845 8.6845 9.0120 9.0120 11.5120 11.5120 12.2042 12.2042 12.3194 12.3194 12.6377 12.6377 k = 0.1373-0.2097-0.1283 ( 2024 PWs) bands (ev): -32.1039 -32.1039 -32.0373 -32.0373 -13.1512 -13.1512 -12.9179 -12.9179 -11.8305 -11.8305 -11.5489 -11.5489 -11.4820 -11.4820 -11.4227 -11.4227 0.8818 0.8818 6.9208 6.9208 7.5000 7.5000 8.6927 8.6927 9.0400 9.0400 11.4475 11.4475 12.2333 12.2333 12.3420 12.3420 12.5473 12.5473 k = 0.1471-0.2247-0.1374 ( 2024 PWs) bands (ev): -32.1025 -32.1025 -32.0368 -32.0368 -13.1517 -13.1517 -12.9232 -12.9232 -11.8310 -11.8310 -11.5556 -11.5556 -11.4902 -11.4902 -11.4249 -11.4249 0.9013 0.9013 6.9659 6.9659 7.4635 7.4635 8.7010 8.7010 9.0654 9.0654 11.3818 11.3818 12.2631 12.2631 12.3618 12.3618 12.4642 12.4642 k = 0.1569-0.2397-0.1466 ( 2024 PWs) bands (ev): -32.1010 -32.1010 -32.0363 -32.0363 -13.1523 -13.1523 -12.9289 -12.9289 -11.8316 -11.8316 -11.5626 -11.5626 -11.4986 -11.4986 -11.4272 -11.4272 0.9215 0.9215 7.0132 7.0132 7.4289 7.4289 8.7094 8.7094 9.0879 9.0879 11.3155 11.3155 12.2872 12.2872 12.3514 12.3514 12.4223 12.4223 k = 0.1667-0.2546-0.1557 ( 2024 PWs) bands (ev): -32.0994 -32.0994 -32.0357 -32.0357 -13.1529 -13.1529 -12.9348 -12.9348 -11.8321 -11.8321 -11.5698 -11.5698 -11.5073 -11.5073 -11.4297 -11.4297 0.9423 0.9423 7.0626 7.0626 7.3963 7.3963 8.7177 8.7177 9.1076 9.1076 11.2488 11.2488 12.2524 12.2524 12.3463 12.3463 12.4392 12.4392 k = 0.1765-0.2696-0.1649 ( 2025 PWs) bands (ev): -32.0977 -32.0977 -32.0351 -32.0351 -13.1536 -13.1536 -12.9409 -12.9409 -11.8327 -11.8327 -11.5773 -11.5773 -11.5161 -11.5161 -11.4323 -11.4323 0.9634 0.9634 7.1139 7.1139 7.3657 7.3657 8.7259 8.7259 9.1244 9.1244 11.1822 11.1822 12.1749 12.1749 12.3777 12.3777 12.4676 12.4676 k = 0.1863-0.2846-0.1741 ( 2025 PWs) bands (ev): -32.0960 -32.0960 -32.0346 -32.0346 -13.1543 -13.1543 -12.9473 -12.9473 -11.8333 -11.8333 -11.5849 -11.5849 -11.5250 -11.5250 -11.4351 -11.4351 0.9849 0.9849 7.1668 7.1668 7.3375 7.3375 8.7339 8.7339 9.1385 9.1385 11.1160 11.1160 12.0942 12.0942 12.4145 12.4145 12.4994 12.4994 k = 0.1961-0.2996-0.1832 ( 2025 PWs) bands (ev): -32.0942 -32.0942 -32.0340 -32.0340 -13.1551 -13.1551 -12.9540 -12.9540 -11.8338 -11.8338 -11.5928 -11.5928 -11.5339 -11.5339 -11.4380 -11.4380 1.0066 1.0066 7.2209 7.2209 7.3118 7.3118 8.7417 8.7417 9.1499 9.1499 11.0507 11.0507 12.0146 12.0146 12.4535 12.4535 12.5331 12.5331 k = 0.2059-0.3146-0.1924 ( 2023 PWs) bands (ev): -32.0924 -32.0924 -32.0334 -32.0334 -13.1560 -13.1560 -12.9608 -12.9608 -11.8344 -11.8344 -11.6009 -11.6009 -11.5428 -11.5428 -11.4410 -11.4410 1.0283 1.0283 7.2699 7.2699 7.2947 7.2947 8.7491 8.7491 9.1587 9.1587 10.9864 10.9864 11.9370 11.9370 12.4942 12.4942 12.5686 12.5686 k = 0.2157-0.3295-0.2015 ( 2024 PWs) bands (ev): -32.0905 -32.0905 -32.0328 -32.0328 -13.1568 -13.1568 -12.9679 -12.9679 -11.8350 -11.8350 -11.6091 -11.6091 -11.5515 -11.5515 -11.4441 -11.4441 1.0499 1.0499 7.2618 7.2618 7.3381 7.3381 8.7562 8.7562 9.1652 9.1652 10.9234 10.9234 11.8619 11.8619 12.5363 12.5363 12.6056 12.6056 k = 0.2255-0.3445-0.2107 ( 2024 PWs) bands (ev): -32.0886 -32.0886 -32.0323 -32.0323 -13.1578 -13.1578 -12.9751 -12.9751 -11.8356 -11.8356 -11.6175 -11.6175 -11.5601 -11.5601 -11.4473 -11.4473 1.0715 1.0715 7.2426 7.2426 7.3956 7.3956 8.7629 8.7629 9.1696 9.1696 10.8620 10.8620 11.7895 11.7895 12.5797 12.5797 12.6441 12.6441 k = 0.2353-0.3595-0.2199 ( 2024 PWs) bands (ev): -32.0867 -32.0867 -32.0317 -32.0317 -13.1587 -13.1587 -12.9824 -12.9824 -11.8362 -11.8362 -11.6261 -11.6261 -11.5683 -11.5683 -11.4507 -11.4507 1.0927 1.0927 7.2246 7.2246 7.4545 7.4545 8.7692 8.7692 9.1720 9.1720 10.8023 10.8023 11.7200 11.7200 12.6242 12.6242 12.6838 12.6838 k = 0.2451-0.3745-0.2290 ( 2023 PWs) bands (ev): -32.0847 -32.0847 -32.0312 -32.0312 -13.1597 -13.1597 -12.9899 -12.9899 -11.8368 -11.8368 -11.6348 -11.6348 -11.5762 -11.5762 -11.4541 -11.4541 1.1137 1.1137 7.2084 7.2084 7.5142 7.5142 8.7750 8.7750 9.1727 9.1727 10.7446 10.7446 11.6536 11.6536 12.6696 12.6696 12.7248 12.7248 k = 0.2549-0.3895-0.2382 ( 2025 PWs) bands (ev): -32.0827 -32.0827 -32.0307 -32.0307 -13.1608 -13.1608 -12.9975 -12.9975 -11.8374 -11.8374 -11.6437 -11.6437 -11.5838 -11.5838 -11.4577 -11.4577 1.1342 1.1342 7.1939 7.1939 7.5742 7.5742 8.7803 8.7803 9.1720 9.1720 10.6888 10.6888 11.5904 11.5904 12.7157 12.7157 12.7669 12.7669 k = 0.2647-0.4044-0.2474 ( 2021 PWs) bands (ev): -32.0807 -32.0807 -32.0301 -32.0301 -13.1618 -13.1618 -13.0051 -13.0051 -11.8380 -11.8380 -11.6526 -11.6526 -11.5908 -11.5908 -11.4613 -11.4613 1.1541 1.1541 7.1811 7.1811 7.6344 7.6344 8.7851 8.7851 9.1703 9.1703 10.6352 10.6352 11.5305 11.5305 12.7624 12.7624 12.8100 12.8100 k = 0.2745-0.4194-0.2565 ( 2021 PWs) bands (ev): -32.0786 -32.0786 -32.0297 -32.0297 -13.1628 -13.1628 -13.0128 -13.0128 -11.8386 -11.8386 -11.6617 -11.6617 -11.5974 -11.5974 -11.4650 -11.4650 1.1735 1.1735 7.1697 7.1697 7.6945 7.6945 8.7893 8.7893 9.1678 9.1678 10.5837 10.5837 11.4738 11.4738 12.8095 12.8095 12.8541 12.8541 k = 0.2843-0.4344-0.2657 ( 2025 PWs) bands (ev): -32.0766 -32.0766 -32.0292 -32.0292 -13.1639 -13.1639 -13.0205 -13.0205 -11.8392 -11.8392 -11.6709 -11.6709 -11.6035 -11.6035 -11.4687 -11.4687 1.1923 1.1923 7.1596 7.1596 7.7541 7.7541 8.7931 8.7931 9.1649 9.1649 10.5343 10.5343 11.4204 11.4204 12.8566 12.8566 12.8990 12.8990 k = 0.2941-0.4494-0.2748 ( 2025 PWs) bands (ev): -32.0746 -32.0746 -32.0288 -32.0288 -13.1649 -13.1649 -13.0283 -13.0283 -11.8398 -11.8398 -11.6800 -11.6800 -11.6091 -11.6091 -11.4726 -11.4726 1.2103 1.2103 7.1508 7.1508 7.8130 7.8130 8.7964 8.7964 9.1620 9.1620 10.4870 10.4870 11.3703 11.3703 12.9034 12.9034 12.9445 12.9445 k = 0.3039-0.4644-0.2840 ( 2029 PWs) bands (ev): -32.0726 -32.0726 -32.0284 -32.0284 -13.1659 -13.1659 -13.0360 -13.0360 -11.8404 -11.8404 -11.6892 -11.6892 -11.6141 -11.6141 -11.4764 -11.4764 1.2275 1.2275 7.1431 7.1431 7.8708 7.8708 8.7992 8.7992 9.1595 9.1595 10.4417 10.4417 11.3233 11.3233 12.9497 12.9497 12.9904 12.9904 k = 0.3137-0.4793-0.2932 ( 2038 PWs) bands (ev): -32.0706 -32.0706 -32.0281 -32.0281 -13.1668 -13.1668 -13.0437 -13.0437 -11.8409 -11.8409 -11.6983 -11.6983 -11.6187 -11.6187 -11.4803 -11.4803 1.2440 1.2440 7.1363 7.1363 7.9272 7.9272 8.8016 8.8016 9.1580 9.1580 10.3984 10.3984 11.2792 11.2792 12.9950 12.9950 13.0364 13.0364 k = 0.3235-0.4943-0.3023 ( 2040 PWs) bands (ev): -32.0686 -32.0686 -32.0278 -32.0278 -13.1677 -13.1677 -13.0513 -13.0513 -11.8415 -11.8415 -11.7073 -11.7073 -11.6227 -11.6227 -11.4842 -11.4842 1.2596 1.2596 7.1303 7.1303 7.9817 7.9817 8.8035 8.8035 9.1579 9.1579 10.3569 10.3569 11.2379 11.2379 13.0389 13.0389 13.0822 13.0822 k = 0.3333-0.5093-0.3115 ( 2036 PWs) bands (ev): -32.0666 -32.0666 -32.0276 -32.0276 -13.1685 -13.1685 -13.0588 -13.0588 -11.8419 -11.8419 -11.7162 -11.7162 -11.6262 -11.6262 -11.4881 -11.4881 1.2744 1.2744 7.1251 7.1251 8.0340 8.0340 8.8051 8.8051 9.1599 9.1599 10.3172 10.3172 11.1991 11.1991 13.0809 13.0809 13.1274 13.1274 k = 0.3431-0.5243-0.3206 ( 2038 PWs) bands (ev): -32.0647 -32.0647 -32.0274 -32.0274 -13.1692 -13.1692 -13.0661 -13.0661 -11.8424 -11.8424 -11.7249 -11.7249 -11.6292 -11.6292 -11.4919 -11.4919 1.2882 1.2882 7.1204 7.1204 8.0835 8.0835 8.8063 8.8063 9.1645 9.1645 10.2790 10.2790 11.1625 11.1625 13.1205 13.1205 13.1715 13.1715 k = 0.3529-0.5393-0.3298 ( 2036 PWs) bands (ev): -32.0627 -32.0627 -32.0272 -32.0272 -13.1698 -13.1698 -13.0734 -13.0734 -11.8427 -11.8427 -11.7334 -11.7334 -11.6317 -11.6317 -11.4958 -11.4958 1.3012 1.3012 7.1162 7.1162 8.1298 8.1298 8.8072 8.8072 9.1724 9.1724 10.2423 10.2423 11.1277 11.1277 13.1568 13.1568 13.2143 13.2143 k = 0.3627-0.5542-0.3390 ( 2035 PWs) bands (ev): -32.0609 -32.0609 -32.0271 -32.0271 -13.1702 -13.1702 -13.0805 -13.0805 -11.8429 -11.8429 -11.7416 -11.7416 -11.6338 -11.6338 -11.4996 -11.4996 1.3133 1.3133 7.1125 7.1125 8.1724 8.1724 8.8078 8.8078 9.1841 9.1841 10.2069 10.2069 11.0944 11.0944 13.1891 13.1891 13.2554 13.2554 k = 0.3725-0.5692-0.3481 ( 2030 PWs) bands (ev): -32.0591 -32.0591 -32.0270 -32.0270 -13.1706 -13.1706 -13.0873 -13.0873 -11.8431 -11.8431 -11.7497 -11.7497 -11.6355 -11.6355 -11.5033 -11.5033 1.3246 1.3246 7.1090 7.1090 8.2109 8.2109 8.8082 8.8082 9.2001 9.2001 10.1726 10.1726 11.0623 11.0623 13.2170 13.2170 13.2945 13.2945 k = 0.3824-0.5842-0.3573 ( 2034 PWs) bands (ev): -32.0573 -32.0573 -32.0270 -32.0270 -13.1707 -13.1707 -13.0940 -13.0940 -11.8431 -11.8431 -11.7574 -11.7574 -11.6368 -11.6368 -11.5069 -11.5069 1.3349 1.3349 7.1059 7.1059 8.2450 8.2450 8.8083 8.8083 9.2208 9.2208 10.1394 10.1394 11.0311 11.0311 13.2400 13.2400 13.3312 13.3312 k = 0.3922-0.5992-0.3665 ( 2037 PWs) bands (ev): -32.0556 -32.0556 -32.0271 -32.0271 -13.1707 -13.1707 -13.1005 -13.1005 -11.8429 -11.8429 -11.7648 -11.7648 -11.6378 -11.6378 -11.5104 -11.5104 1.3443 1.3443 7.1029 7.1029 8.2746 8.2746 8.8083 8.8083 9.2462 9.2462 10.1070 10.1070 11.0006 11.0006 13.2582 13.2582 13.3653 13.3653 k = 0.4020-0.6142-0.3756 ( 2042 PWs) bands (ev): -32.0540 -32.0540 -32.0272 -32.0272 -13.1706 -13.1706 -13.1067 -13.1067 -11.8426 -11.8426 -11.7720 -11.7720 -11.6385 -11.6385 -11.5138 -11.5138 1.3528 1.3528 7.1003 7.1003 8.2996 8.2996 8.8081 8.8081 9.2763 9.2763 10.0752 10.0752 10.9708 10.9708 13.2722 13.2722 13.3966 13.3966 k = 0.4118-0.6291-0.3848 ( 2046 PWs) bands (ev): -32.0525 -32.0525 -32.0273 -32.0273 -13.1702 -13.1702 -13.1126 -13.1126 -11.8421 -11.8421 -11.7787 -11.7787 -11.6389 -11.6389 -11.5170 -11.5170 1.3605 1.3605 7.0978 7.0978 8.3203 8.3203 8.8078 8.8078 9.3108 9.3108 10.0438 10.0438 10.9416 10.9416 13.2827 13.2827 13.4248 13.4248 k = 0.4216-0.6441-0.3939 ( 2049 PWs) bands (ev): -32.0511 -32.0511 -32.0275 -32.0275 -13.1696 -13.1696 -13.1183 -13.1183 -11.8413 -11.8413 -11.7852 -11.7852 -11.6391 -11.6391 -11.5200 -11.5200 1.3673 1.3673 7.0955 7.0955 8.3371 8.3371 8.8075 8.8075 9.3492 9.3492 10.0126 10.0126 10.9133 10.9133 13.2903 13.2903 13.4499 13.4499 k = 0.4314-0.6591-0.4031 ( 2047 PWs) bands (ev): -32.0498 -32.0498 -32.0277 -32.0277 -13.1687 -13.1687 -13.1237 -13.1237 -11.8404 -11.8404 -11.7912 -11.7912 -11.6392 -11.6392 -11.5227 -11.5227 1.3733 1.3733 7.0935 7.0935 8.3504 8.3504 8.8070 8.8070 9.3907 9.3907 9.9813 9.9813 10.8863 10.8863 13.2960 13.2960 13.4718 13.4718 k = 0.4412-0.6741-0.4123 ( 2045 PWs) bands (ev): -32.0486 -32.0486 -32.0279 -32.0279 -13.1676 -13.1676 -13.1287 -13.1287 -11.8391 -11.8391 -11.7969 -11.7969 -11.6391 -11.6391 -11.5252 -11.5252 1.3784 1.3784 7.0917 7.0917 8.3607 8.3607 8.8066 8.8066 9.4345 9.4345 9.9496 9.9496 10.8609 10.8609 13.3002 13.3002 13.4906 13.4906 k = 0.4510-0.6891-0.4214 ( 2047 PWs) bands (ev): -32.0475 -32.0475 -32.0281 -32.0281 -13.1663 -13.1663 -13.1334 -13.1334 -11.8377 -11.8377 -11.8022 -11.8022 -11.6389 -11.6389 -11.5273 -11.5273 1.3827 1.3827 7.0901 7.0901 8.3684 8.3684 8.8062 8.8062 9.4797 9.4797 9.9174 9.9174 10.8377 10.8377 13.3034 13.3034 13.5062 13.5062 k = 0.4608-0.7040-0.4306 ( 2043 PWs) bands (ev): -32.0466 -32.0466 -32.0283 -32.0283 -13.1648 -13.1648 -13.1377 -13.1377 -11.8360 -11.8360 -11.8071 -11.8071 -11.6387 -11.6387 -11.5292 -11.5292 1.3863 1.3863 7.0888 7.0888 8.3741 8.3741 8.8058 8.8058 9.5253 9.5253 9.8844 9.8844 10.8174 10.8174 13.3058 13.3058 13.5188 13.5188 k = 0.4706-0.7190-0.4397 ( 2045 PWs) bands (ev): -32.0458 -32.0458 -32.0285 -32.0285 -13.1631 -13.1631 -13.1416 -13.1416 -11.8340 -11.8340 -11.8115 -11.8115 -11.6385 -11.6385 -11.5306 -11.5306 1.3890 1.3890 7.0878 7.0878 8.3781 8.3781 8.8055 8.8055 9.5700 9.5700 9.8508 9.8508 10.8008 10.8008 13.3076 13.3076 13.5285 13.5285 k = 0.4804-0.7340-0.4489 ( 2039 PWs) bands (ev): -32.0453 -32.0453 -32.0286 -32.0286 -13.1614 -13.1614 -13.1450 -13.1450 -11.8320 -11.8320 -11.8153 -11.8153 -11.6384 -11.6384 -11.5317 -11.5317 1.3910 1.3910 7.0871 7.0871 8.3807 8.3807 8.8053 8.8053 9.6118 9.6118 9.8177 9.8177 10.7884 10.7884 13.3089 13.3089 13.5353 13.5353 k = 0.4902-0.7490-0.4581 ( 2036 PWs) bands (ev): -32.0449 -32.0449 -32.0287 -32.0287 -13.1598 -13.1598 -13.1475 -13.1475 -11.8301 -11.8301 -11.8183 -11.8183 -11.6383 -11.6383 -11.5323 -11.5323 1.3921 1.3921 7.0866 7.0866 8.3822 8.3822 8.8051 8.8051 9.6465 9.6465 9.7885 9.7885 10.7807 10.7807 13.3097 13.3097 13.5394 13.5394 k = 0.5000-0.7639-0.4672 ( 2036 PWs) bands (ev): -32.0448 -32.0448 -32.0288 -32.0288 -13.1592 -13.1592 -13.1485 -13.1485 -11.8292 -11.8292 -11.8195 -11.8195 -11.6382 -11.6382 -11.5325 -11.5325 1.3925 1.3925 7.0865 7.0865 8.3827 8.3827 8.8051 8.8051 9.6621 9.6621 9.7749 9.7749 10.7781 10.7781 13.3099 13.3099 13.5408 13.5408 k = 0.5000-0.7639-0.4672 ( 2036 PWs) bands (ev): -32.0448 -32.0448 -32.0288 -32.0288 -13.1592 -13.1592 -13.1485 -13.1485 -11.8292 -11.8292 -11.8195 -11.8195 -11.6382 -11.6382 -11.5325 -11.5325 1.3925 1.3925 7.0865 7.0865 8.3827 8.3827 8.8051 8.8051 9.6621 9.6621 9.7749 9.7749 10.7781 10.7781 13.3099 13.3099 13.5408 13.5408 k = 0.5000-0.7536-0.4841 ( 2040 PWs) bands (ev): -32.0448 -32.0448 -32.0288 -32.0288 -13.1592 -13.1592 -13.1484 -13.1484 -11.8295 -11.8295 -11.8192 -11.8192 -11.6383 -11.6383 -11.5327 -11.5327 1.3927 1.3927 7.0880 7.0880 8.3828 8.3828 8.8024 8.8024 9.6640 9.6640 9.7749 9.7749 10.7795 10.7795 13.2651 13.2651 13.5853 13.5853 k = 0.5000-0.7432-0.5011 ( 2040 PWs) bands (ev): -32.0447 -32.0447 -32.0288 -32.0288 -13.1594 -13.1594 -13.1484 -13.1484 -11.8304 -11.8304 -11.8185 -11.8185 -11.6386 -11.6386 -11.5332 -11.5332 1.3934 1.3934 7.0927 7.0927 8.3833 8.3833 8.7946 8.7946 9.6698 9.6698 9.7751 9.7751 10.7836 10.7836 13.1753 13.1753 13.6743 13.6743 k = 0.5000-0.7329-0.5180 ( 2042 PWs) bands (ev): -32.0446 -32.0446 -32.0288 -32.0288 -13.1596 -13.1596 -13.1483 -13.1483 -11.8316 -11.8316 -11.8174 -11.8174 -11.6391 -11.6391 -11.5340 -11.5340 1.3945 1.3945 7.1006 7.1006 8.3842 8.3842 8.7817 8.7817 9.6794 9.6794 9.7754 9.7754 10.7903 10.7903 13.0741 13.0741 13.7739 13.7739 k = 0.5000-0.7226-0.5349 ( 2044 PWs) bands (ev): -32.0445 -32.0445 -32.0288 -32.0288 -13.1599 -13.1599 -13.1481 -13.1481 -11.8331 -11.8331 -11.8162 -11.8162 -11.6398 -11.6398 -11.5352 -11.5352 1.3960 1.3960 7.1114 7.1114 8.3854 8.3854 8.7641 8.7641 9.6927 9.6927 9.7759 9.7759 10.7995 10.7995 12.9699 12.9699 13.8750 13.8750 k = 0.5000-0.7122-0.5518 ( 2048 PWs) bands (ev): -32.0443 -32.0443 -32.0287 -32.0287 -13.1603 -13.1603 -13.1480 -13.1480 -11.8347 -11.8347 -11.8149 -11.8149 -11.6406 -11.6406 -11.5366 -11.5366 1.3978 1.3978 7.1252 7.1252 8.3869 8.3869 8.7420 8.7420 9.7095 9.7095 9.7765 9.7765 10.8111 10.8111 12.8656 12.8656 13.9744 13.9744 k = 0.5000-0.7019-0.5688 ( 2040 PWs) bands (ev): -32.0440 -32.0440 -32.0287 -32.0287 -13.1607 -13.1607 -13.1478 -13.1478 -11.8365 -11.8365 -11.8135 -11.8135 -11.6416 -11.6416 -11.5383 -11.5383 1.4001 1.4001 7.1417 7.1417 8.3889 8.3889 8.7160 8.7160 9.7295 9.7295 9.7773 9.7773 10.8249 10.8249 12.7622 12.7622 14.0699 14.0699 k = 0.5000-0.6915-0.5857 ( 2044 PWs) bands (ev): -32.0437 -32.0437 -32.0287 -32.0287 -13.1613 -13.1613 -13.1476 -13.1476 -11.8384 -11.8384 -11.8121 -11.8121 -11.6427 -11.6427 -11.5403 -11.5403 1.4027 1.4027 7.1610 7.1610 8.3912 8.3912 8.6863 8.6863 9.7523 9.7523 9.7788 9.7788 10.8406 10.8406 12.6605 12.6605 14.1580 14.1580 k = 0.5000-0.6812-0.6026 ( 2046 PWs) bands (ev): -32.0434 -32.0434 -32.0287 -32.0287 -13.1618 -13.1618 -13.1475 -13.1475 -11.8404 -11.8404 -11.8107 -11.8107 -11.6440 -11.6440 -11.5425 -11.5425 1.4056 1.4056 7.1827 7.1827 8.3939 8.3939 8.6535 8.6535 9.7730 9.7730 9.7853 9.7853 10.8582 10.8582 12.5609 12.5609 14.2211 14.2211 k = 0.5000-0.6708-0.6195 ( 2046 PWs) bands (ev): -32.0430 -32.0430 -32.0286 -32.0286 -13.1624 -13.1624 -13.1473 -13.1473 -11.8425 -11.8425 -11.8093 -11.8093 -11.6453 -11.6453 -11.5450 -11.5450 1.4088 1.4088 7.2067 7.2067 8.3970 8.3970 8.6181 8.6181 9.7780 9.7780 9.8103 9.8103 10.8775 10.8775 12.4639 12.4639 14.2376 14.2376 k = 0.5000-0.6605-0.6364 ( 2046 PWs) bands (ev): -32.0426 -32.0426 -32.0286 -32.0286 -13.1630 -13.1630 -13.1472 -13.1472 -11.8446 -11.8446 -11.8079 -11.8079 -11.6467 -11.6467 -11.5476 -11.5476 1.4122 1.4122 7.2327 7.2327 8.4004 8.4004 8.5805 8.5805 9.7798 9.7798 9.8412 9.8412 10.8985 10.8985 12.3696 12.3696 14.2453 14.2453 k = 0.5000-0.6501-0.6534 ( 2050 PWs) bands (ev): -32.0422 -32.0422 -32.0286 -32.0286 -13.1637 -13.1637 -13.1472 -13.1472 -11.8469 -11.8469 -11.8066 -11.8066 -11.6481 -11.6481 -11.5503 -11.5503 1.4158 1.4158 7.2605 7.2605 8.4040 8.4040 8.5414 8.5414 9.7813 9.7813 9.8744 9.8744 10.9211 10.9211 12.2783 12.2783 14.2522 14.2522 k = 0.5000-0.6398-0.6703 ( 2054 PWs) bands (ev): -32.0417 -32.0417 -32.0286 -32.0286 -13.1643 -13.1643 -13.1471 -13.1471 -11.8492 -11.8492 -11.8053 -11.8053 -11.6495 -11.6495 -11.5531 -11.5531 1.4196 1.4196 7.2897 7.2897 8.4075 8.4075 8.5014 8.5014 9.7830 9.7830 9.9095 9.9095 10.9454 10.9454 12.1902 12.1902 14.2590 14.2590 k = 0.5000-0.6294-0.6872 ( 2054 PWs) bands (ev): -32.0412 -32.0412 -32.0286 -32.0286 -13.1650 -13.1650 -13.1472 -13.1472 -11.8515 -11.8515 -11.8041 -11.8041 -11.6509 -11.6509 -11.5560 -11.5560 1.4235 1.4235 7.3202 7.3202 8.4089 8.4089 8.4630 8.4630 9.7849 9.7849 9.9459 9.9459 10.9716 10.9716 12.1056 12.1056 14.2660 14.2660 k = 0.5000-0.6191-0.7041 ( 2052 PWs) bands (ev): -32.0407 -32.0407 -32.0286 -32.0286 -13.1657 -13.1657 -13.1472 -13.1472 -11.8540 -11.8540 -11.8030 -11.8030 -11.6523 -11.6523 -11.5589 -11.5589 1.4274 1.4274 7.3515 7.3515 8.3968 8.3968 8.4378 8.4378 9.7870 9.7870 9.9831 9.9831 10.9999 10.9999 12.0246 12.0246 14.2728 14.2728 k = 0.5000-0.6087-0.7210 ( 2052 PWs) bands (ev): -32.0402 -32.0402 -32.0286 -32.0286 -13.1664 -13.1664 -13.1474 -13.1474 -11.8564 -11.8564 -11.8019 -11.8019 -11.6536 -11.6536 -11.5618 -11.5618 1.4313 1.4313 7.3833 7.3833 8.3618 8.3618 8.4356 8.4356 9.7895 9.7895 10.0206 10.0206 11.0305 11.0305 11.9472 11.9472 14.2789 14.2789 k = 0.5000-0.5984-0.7380 ( 2052 PWs) bands (ev): -32.0396 -32.0396 -32.0286 -32.0286 -13.1671 -13.1671 -13.1476 -13.1476 -11.8589 -11.8589 -11.8010 -11.8010 -11.6548 -11.6548 -11.5647 -11.5647 1.4353 1.4353 7.4153 7.4153 8.3202 8.3202 8.4405 8.4405 9.7925 9.7925 10.0580 10.0580 11.0638 11.0638 11.8736 11.8736 14.2804 14.2804 k = 0.5000-0.5880-0.7549 ( 2048 PWs) bands (ev): -32.0390 -32.0390 -32.0286 -32.0286 -13.1678 -13.1678 -13.1478 -13.1478 -11.8614 -11.8614 -11.8002 -11.8002 -11.6558 -11.6558 -11.5674 -11.5674 1.4391 1.4391 7.4470 7.4470 8.2772 8.2772 8.4473 8.4473 9.7959 9.7959 10.0947 10.0947 11.1000 11.1000 11.8038 11.8038 14.2437 14.2437 k = 0.5000-0.5777-0.7718 ( 2046 PWs) bands (ev): -32.0384 -32.0384 -32.0287 -32.0287 -13.1685 -13.1685 -13.1481 -13.1481 -11.8638 -11.8638 -11.7996 -11.7996 -11.6567 -11.6567 -11.5701 -11.5701 1.4428 1.4428 7.4783 7.4783 8.2340 8.2340 8.4551 8.4551 9.8000 9.8000 10.1302 10.1302 11.1396 11.1396 11.7380 11.7380 14.1774 14.1774 k = 0.5000-0.5673-0.7887 ( 2042 PWs) bands (ev): -32.0378 -32.0378 -32.0288 -32.0288 -13.1691 -13.1691 -13.1485 -13.1485 -11.8662 -11.8662 -11.7991 -11.7991 -11.6574 -11.6574 -11.5725 -11.5725 1.4464 1.4464 7.5086 7.5086 8.1911 8.1911 8.4635 8.4635 9.8047 9.8047 10.1640 10.1640 11.1827 11.1827 11.6760 11.6760 14.1060 14.1060 k = 0.5000-0.5570-0.8057 ( 2044 PWs) bands (ev): -32.0372 -32.0372 -32.0289 -32.0289 -13.1698 -13.1698 -13.1489 -13.1489 -11.8685 -11.8685 -11.7987 -11.7987 -11.6580 -11.6580 -11.5748 -11.5748 1.4497 1.4497 7.5378 7.5378 8.1487 8.1487 8.4722 8.4722 9.8103 9.8103 10.1957 10.1957 11.2295 11.2295 11.6180 11.6180 14.0324 14.0324 k = 0.5000-0.5466-0.8226 ( 2038 PWs) bands (ev): -32.0365 -32.0365 -32.0290 -32.0290 -13.1704 -13.1704 -13.1493 -13.1493 -11.8708 -11.8708 -11.7986 -11.7986 -11.6584 -11.6584 -11.5769 -11.5769 1.4528 1.4528 7.5656 7.5656 8.1070 8.1070 8.4812 8.4812 9.8167 9.8167 10.2251 10.2251 11.2800 11.2800 11.5641 11.5641 13.9577 13.9577 k = 0.5000-0.5363-0.8395 ( 2040 PWs) bands (ev): -32.0359 -32.0359 -32.0292 -32.0292 -13.1711 -13.1711 -13.1498 -13.1498 -11.8729 -11.8729 -11.7985 -11.7985 -11.6585 -11.6585 -11.5787 -11.5787 1.4556 1.4556 7.5917 7.5917 8.0663 8.0663 8.4902 8.4902 9.8241 9.8241 10.2519 10.2519 11.3337 11.3337 11.5144 11.5144 13.8826 13.8826 k = 0.5000-0.5259-0.8564 ( 2038 PWs) bands (ev): -32.0353 -32.0353 -32.0294 -32.0294 -13.1716 -13.1716 -13.1503 -13.1503 -11.8749 -11.8749 -11.7987 -11.7987 -11.6585 -11.6585 -11.5802 -11.5802 1.4581 1.4581 7.6160 7.6160 8.0266 8.0266 8.4989 8.4989 9.8324 9.8324 10.2760 10.2760 11.3882 11.3882 11.4711 11.4711 13.8077 13.8077 k = 0.5000-0.5156-0.8733 ( 2040 PWs) bands (ev): -32.0347 -32.0347 -32.0296 -32.0296 -13.1722 -13.1722 -13.1508 -13.1508 -11.8767 -11.8767 -11.7990 -11.7990 -11.6583 -11.6583 -11.5815 -11.5815 1.4602 1.4602 7.6383 7.6383 7.9881 7.9881 8.5073 8.5073 9.8417 9.8417 10.2976 10.2976 11.4094 11.4094 11.4678 11.4678 13.7335 13.7335 k = 0.5000-0.5052-0.8903 ( 2042 PWs) bands (ev): -32.0341 -32.0341 -32.0299 -32.0299 -13.1727 -13.1727 -13.1513 -13.1513 -11.8783 -11.8783 -11.7994 -11.7994 -11.6578 -11.6578 -11.5824 -11.5824 1.4620 1.4620 7.6587 7.6587 7.9509 7.9509 8.5149 8.5149 9.8518 9.8518 10.3167 10.3167 11.3763 11.3763 11.5248 11.5248 13.6606 13.6606 k = 0.5000-0.4949-0.9072 ( 2042 PWs) bands (ev): -32.0335 -32.0335 -32.0302 -32.0302 -13.1731 -13.1731 -13.1518 -13.1518 -11.8797 -11.8797 -11.8000 -11.8000 -11.6572 -11.6572 -11.5831 -11.5831 1.4634 1.4634 7.6770 7.6770 7.9151 7.9151 8.5217 8.5217 9.8626 9.8626 10.3334 10.3334 11.3403 11.3403 11.5899 11.5899 13.5895 13.5895 k = 0.5000-0.4845-0.9241 ( 2036 PWs) bands (ev): -32.0329 -32.0329 -32.0306 -32.0306 -13.1735 -13.1735 -13.1523 -13.1523 -11.8808 -11.8808 -11.8006 -11.8006 -11.6564 -11.6564 -11.5834 -11.5834 1.4643 1.4643 7.6932 7.6932 7.8808 7.8808 8.5275 8.5275 9.8739 9.8739 10.3482 10.3482 11.3063 11.3063 11.6574 11.6574 13.5206 13.5206 k = 0.5000-0.4742-0.9410 ( 2034 PWs) bands (ev): -32.0323 -32.0323 -32.0310 -32.0310 -13.1739 -13.1739 -13.1526 -13.1526 -11.8817 -11.8817 -11.8014 -11.8014 -11.6554 -11.6554 -11.5834 -11.5834 1.4648 1.4648 7.7073 7.7073 7.8482 7.8482 8.5321 8.5321 9.8853 9.8853 10.3611 10.3611 11.2745 11.2745 11.7259 11.7259 13.4546 13.4546 k = 0.5000-0.4638-0.9579 ( 2032 PWs) bands (ev): -32.0318 -32.0318 -32.0314 -32.0314 -13.1742 -13.1742 -13.1530 -13.1530 -11.8823 -11.8823 -11.8022 -11.8022 -11.6543 -11.6543 -11.5831 -11.5831 1.4649 1.4649 7.7192 7.7192 7.8176 7.8176 8.5354 8.5354 9.8965 9.8965 10.3725 10.3725 11.2449 11.2449 11.7945 11.7945 13.3920 13.3920 k = 0.5000-0.4535-0.9749 ( 2032 PWs) bands (ev): -32.0319 -32.0319 -32.0313 -32.0313 -13.1744 -13.1744 -13.1531 -13.1531 -11.8826 -11.8826 -11.8030 -11.8030 -11.6530 -11.6530 -11.5825 -11.5825 1.4645 1.4645 7.7281 7.7281 7.7898 7.7898 8.5374 8.5374 9.9071 9.9071 10.3826 10.3826 11.2171 11.2171 11.8621 11.8621 13.3332 13.3332 k = 0.5000-0.4431-0.9918 ( 2032 PWs) bands (ev): -32.0325 -32.0325 -32.0308 -32.0308 -13.1745 -13.1745 -13.1532 -13.1532 -11.8826 -11.8826 -11.8038 -11.8038 -11.6516 -11.6516 -11.5816 -11.5816 1.4636 1.4636 7.7308 7.7308 7.7683 7.7683 8.5381 8.5381 9.9165 9.9165 10.3918 10.3918 11.1909 11.1909 11.9280 11.9280 13.2789 13.2789 k = 0.5000-0.4328-1.0087 ( 2036 PWs) bands (ev): -32.0331 -32.0331 -32.0304 -32.0304 -13.1747 -13.1747 -13.1531 -13.1531 -11.8823 -11.8823 -11.8045 -11.8045 -11.6501 -11.6501 -11.5804 -11.5804 1.4622 1.4622 7.7193 7.7193 7.7611 7.7611 8.5374 8.5374 9.9245 9.9245 10.4002 10.4002 11.1658 11.1658 11.9913 11.9913 13.2295 13.2295 k = 0.5000-0.4224-1.0256 ( 2036 PWs) bands (ev): -32.0338 -32.0338 -32.0300 -32.0300 -13.1747 -13.1747 -13.1528 -13.1528 -11.8817 -11.8817 -11.8052 -11.8052 -11.6485 -11.6485 -11.5789 -11.5789 1.4603 1.4603 7.6986 7.6986 7.7634 7.7634 8.5355 8.5355 9.9305 9.9305 10.4080 10.4080 11.1415 11.1415 12.0513 12.0513 13.1856 13.1856 k = 0.8130-0.3291-0.8433 ( 2036 PWs) bands (ev): -32.0338 -32.0338 -32.0300 -32.0300 -13.1747 -13.1747 -13.1528 -13.1528 -11.8817 -11.8817 -11.8052 -11.8052 -11.6485 -11.6485 -11.5789 -11.5789 1.4603 1.4603 7.6986 7.6986 7.7634 7.7634 8.5355 8.5355 9.9305 9.9305 10.4080 10.4080 11.1415 11.1415 12.0513 12.0513 13.1856 13.1856 k = 0.8073-0.3204-0.8263 ( 2040 PWs) bands (ev): -32.0345 -32.0345 -32.0297 -32.0297 -13.1747 -13.1747 -13.1523 -13.1523 -11.8807 -11.8807 -11.8058 -11.8058 -11.6467 -11.6467 -11.5772 -11.5772 1.4579 1.4579 7.6767 7.6767 7.7673 7.7673 8.5325 8.5325 9.9343 9.9343 10.4156 10.4156 11.1173 11.1173 12.1075 12.1075 13.1475 13.1475 k = 0.8016-0.3117-0.8093 ( 2042 PWs) bands (ev): -32.0353 -32.0353 -32.0294 -32.0294 -13.1746 -13.1746 -13.1516 -13.1516 -11.8794 -11.8794 -11.8063 -11.8063 -11.6449 -11.6449 -11.5752 -11.5752 1.4550 1.4550 7.6557 7.6557 7.7709 7.7709 8.5284 8.5284 9.9356 9.9356 10.4231 10.4231 11.0929 11.0929 12.1592 12.1592 13.1158 13.1158 k = 0.7959-0.3030-0.7923 ( 2046 PWs) bands (ev): -32.0361 -32.0361 -32.0291 -32.0291 -13.1745 -13.1745 -13.1506 -13.1506 -11.8777 -11.8777 -11.8066 -11.8066 -11.6430 -11.6430 -11.5731 -11.5731 1.4516 1.4516 7.6360 7.6360 7.7736 7.7736 8.5233 8.5233 9.9342 9.9342 10.4305 10.4305 11.0677 11.0677 12.2060 12.2060 13.0907 13.0907 k = 0.7902-0.2943-0.7753 ( 2046 PWs) bands (ev): -32.0370 -32.0370 -32.0289 -32.0289 -13.1743 -13.1743 -13.1493 -13.1493 -11.8758 -11.8758 -11.8068 -11.8068 -11.6410 -11.6410 -11.5707 -11.5707 1.4477 1.4477 7.6179 7.6179 7.7755 7.7755 8.5173 8.5173 9.9303 9.9303 10.4382 10.4382 11.0415 11.0415 12.2478 12.2478 13.0726 13.0726 k = 0.7845-0.2856-0.7583 ( 2040 PWs) bands (ev): -32.0379 -32.0379 -32.0287 -32.0287 -13.1740 -13.1740 -13.1477 -13.1477 -11.8735 -11.8735 -11.8067 -11.8067 -11.6389 -11.6389 -11.5681 -11.5681 1.4433 1.4433 7.6016 7.6016 7.7764 7.7764 8.5106 8.5106 9.9238 9.9238 10.4462 10.4462 11.0137 11.0137 12.2845 12.2845 13.0613 13.0613 k = 0.7788-0.2769-0.7413 ( 2046 PWs) bands (ev): -32.0390 -32.0390 -32.0286 -32.0286 -13.1736 -13.1736 -13.1458 -13.1458 -11.8709 -11.8709 -11.8064 -11.8064 -11.6367 -11.6367 -11.5654 -11.5654 1.4383 1.4383 7.5869 7.5869 7.7762 7.7762 8.5032 8.5032 9.9151 9.9151 10.4546 10.4546 10.9841 10.9841 12.3163 12.3163 13.0568 13.0568 k = 0.7731-0.2683-0.7243 ( 2046 PWs) bands (ev): -32.0400 -32.0400 -32.0285 -32.0285 -13.1731 -13.1731 -13.1437 -13.1437 -11.8680 -11.8680 -11.8058 -11.8058 -11.6344 -11.6344 -11.5626 -11.5626 1.4328 1.4328 7.5739 7.5739 7.7749 7.7749 8.4951 8.4951 9.9045 9.9045 10.4636 10.4636 10.9524 10.9524 12.3435 12.3435 13.0589 13.0589 k = 0.7675-0.2596-0.7074 ( 2044 PWs) bands (ev): -32.0411 -32.0411 -32.0285 -32.0285 -13.1725 -13.1725 -13.1412 -13.1412 -11.8649 -11.8649 -11.8049 -11.8049 -11.6320 -11.6320 -11.5597 -11.5597 1.4268 1.4268 7.5628 7.5628 7.7723 7.7723 8.4866 8.4866 9.8925 9.8925 10.4733 10.4733 10.9186 10.9186 12.3665 12.3665 13.0672 13.0672 k = 0.7618-0.2509-0.6904 ( 2046 PWs) bands (ev): -32.0423 -32.0423 -32.0285 -32.0285 -13.1718 -13.1718 -13.1384 -13.1384 -11.8616 -11.8616 -11.8037 -11.8037 -11.6295 -11.6295 -11.5566 -11.5566 1.4202 1.4202 7.5534 7.5534 7.7684 7.7684 8.4775 8.4775 9.8794 9.8794 10.4837 10.4837 10.8826 10.8826 12.3856 12.3856 13.0810 13.0810 k = 0.7561-0.2422-0.6734 ( 2046 PWs) bands (ev): -32.0436 -32.0436 -32.0286 -32.0286 -13.1709 -13.1709 -13.1352 -13.1352 -11.8580 -11.8580 -11.8021 -11.8021 -11.6269 -11.6269 -11.5535 -11.5535 1.4131 1.4131 7.5459 7.5459 7.7628 7.7628 8.4682 8.4682 9.8659 9.8659 10.4948 10.4948 10.8447 10.8447 12.4014 12.4014 13.0999 13.0999 k = 0.7504-0.2335-0.6564 ( 2046 PWs) bands (ev): -32.0449 -32.0449 -32.0287 -32.0287 -13.1699 -13.1699 -13.1318 -13.1318 -11.8544 -11.8544 -11.8002 -11.8002 -11.6242 -11.6242 -11.5504 -11.5504 1.4055 1.4055 7.5402 7.5402 7.7554 7.7554 8.4586 8.4586 9.8525 9.8525 10.5068 10.5068 10.8050 10.8050 12.4144 12.4144 13.1230 13.1230 k = 0.7447-0.2248-0.6394 ( 2046 PWs) bands (ev): -32.0462 -32.0462 -32.0289 -32.0289 -13.1687 -13.1687 -13.1281 -13.1281 -11.8506 -11.8506 -11.7977 -11.7977 -11.6214 -11.6214 -11.5472 -11.5472 1.3973 1.3973 7.5363 7.5363 7.7458 7.7458 8.4492 8.4492 9.8397 9.8397 10.5197 10.5197 10.7639 10.7639 12.4249 12.4249 13.1496 13.1496 k = 0.7390-0.2161-0.6224 ( 2048 PWs) bands (ev): -32.0476 -32.0476 -32.0291 -32.0291 -13.1674 -13.1674 -13.1241 -13.1241 -11.8467 -11.8467 -11.7948 -11.7948 -11.6185 -11.6185 -11.5439 -11.5439 1.3886 1.3886 7.5343 7.5343 7.7337 7.7337 8.4399 8.4399 9.8279 9.8279 10.5335 10.5335 10.7218 10.7218 12.4333 12.4333 13.1788 13.1788 k = 0.7333-0.2074-0.6054 ( 2046 PWs) bands (ev): -32.0491 -32.0491 -32.0294 -32.0294 -13.1659 -13.1659 -13.1198 -13.1198 -11.8429 -11.8429 -11.7914 -11.7914 -11.6155 -11.6155 -11.5407 -11.5407 1.3794 1.3794 7.5342 7.5342 7.7187 7.7187 8.4312 8.4312 9.8175 9.8175 10.5482 10.5482 10.6792 10.6792 12.4402 12.4402 13.2097 13.2097 k = 0.7276-0.1987-0.5884 ( 2048 PWs) bands (ev): -32.0506 -32.0506 -32.0297 -32.0297 -13.1643 -13.1643 -13.1153 -13.1153 -11.8391 -11.8391 -11.7874 -11.7874 -11.6124 -11.6124 -11.5375 -11.5375 1.3696 1.3696 7.5361 7.5361 7.7005 7.7005 8.4234 8.4234 9.8088 9.8088 10.5633 10.5633 10.6370 10.6370 12.4457 12.4457 13.2416 13.2416 k = 0.7219-0.1900-0.5714 ( 2046 PWs) bands (ev): -32.0521 -32.0521 -32.0301 -32.0301 -13.1625 -13.1625 -13.1105 -13.1105 -11.8353 -11.8353 -11.7829 -11.7829 -11.6091 -11.6091 -11.5342 -11.5342 1.3593 1.3593 7.5398 7.5398 7.6786 7.6786 8.4169 8.4169 9.8018 9.8018 10.5750 10.5750 10.5999 10.5999 12.4503 12.4503 13.2736 13.2736 k = 0.7162-0.1813-0.5544 ( 2046 PWs) bands (ev): -32.0537 -32.0537 -32.0305 -32.0305 -13.1606 -13.1606 -13.1054 -13.1054 -11.8317 -11.8317 -11.7778 -11.7778 -11.6058 -11.6058 -11.5311 -11.5311 1.3485 1.3485 7.5453 7.5453 7.6530 7.6530 8.4119 8.4119 9.7964 9.7964 10.5492 10.5492 10.6023 10.6023 12.4541 12.4541 13.3049 13.3049 k = 0.7105-0.1726-0.5375 ( 2048 PWs) bands (ev): -32.0553 -32.0553 -32.0310 -32.0310 -13.1585 -13.1585 -13.1001 -13.1001 -11.8281 -11.8281 -11.7721 -11.7721 -11.6023 -11.6023 -11.5279 -11.5279 1.3370 1.3370 7.5524 7.5524 7.6237 7.6237 8.4088 8.4088 9.7925 9.7925 10.5113 10.5113 10.6199 10.6199 12.4574 12.4574 13.3346 13.3346 k = 0.7049-0.1639-0.5205 ( 2046 PWs) bands (ev): -32.0569 -32.0569 -32.0315 -32.0315 -13.1562 -13.1562 -13.0947 -13.0947 -11.8246 -11.8246 -11.7660 -11.7660 -11.5986 -11.5986 -11.5248 -11.5248 1.3251 1.3251 7.5589 7.5589 7.5926 7.5926 8.4078 8.4078 9.7894 9.7894 10.4756 10.4756 10.6393 10.6393 12.4604 12.4604 13.3620 13.3620 k = 0.6992-0.1552-0.5035 ( 2044 PWs) bands (ev): -32.0586 -32.0586 -32.0321 -32.0321 -13.1539 -13.1539 -13.0890 -13.0890 -11.8212 -11.8212 -11.7593 -11.7593 -11.5948 -11.5948 -11.5217 -11.5217 1.3126 1.3126 7.5433 7.5433 7.5815 7.5815 8.4091 8.4091 9.7865 9.7865 10.4438 10.4438 10.6598 10.6598 12.4633 12.4633 13.3865 13.3865 k = 0.6935-0.1465-0.4865 ( 2044 PWs) bands (ev): -32.0603 -32.0603 -32.0327 -32.0327 -13.1514 -13.1514 -13.0831 -13.0831 -11.8178 -11.8178 -11.7522 -11.7522 -11.5909 -11.5909 -11.5187 -11.5187 1.2997 1.2997 7.5034 7.5034 7.5926 7.5926 8.4128 8.4128 9.7828 9.7828 10.4172 10.4172 10.6811 10.6811 12.4663 12.4663 13.4074 13.4074 k = 0.6878-0.1378-0.4695 ( 2044 PWs) bands (ev): -32.0620 -32.0620 -32.0333 -32.0333 -13.1488 -13.1488 -13.0771 -13.0771 -11.8145 -11.8145 -11.7447 -11.7447 -11.5869 -11.5869 -11.5157 -11.5157 1.2862 1.2862 7.4574 7.4574 7.6081 7.6081 8.4188 8.4188 9.7772 9.7772 10.3973 10.3973 10.7031 10.7031 12.4695 12.4695 13.4243 13.4243 k = 0.6821-0.1291-0.4525 ( 2046 PWs) bands (ev): -32.0638 -32.0638 -32.0340 -32.0340 -13.1461 -13.1461 -13.0710 -13.0710 -11.8112 -11.8112 -11.7369 -11.7369 -11.5827 -11.5827 -11.5129 -11.5129 1.2722 1.2722 7.4073 7.4073 7.6261 7.6261 8.4271 8.4271 9.7687 9.7687 10.3853 10.3853 10.7258 10.7258 12.4732 12.4732 13.4369 13.4369 k = 0.6764-0.1204-0.4355 ( 2050 PWs) bands (ev): -32.0656 -32.0656 -32.0347 -32.0347 -13.1433 -13.1433 -13.0648 -13.0648 -11.8079 -11.8079 -11.7287 -11.7287 -11.5783 -11.5783 -11.5101 -11.5101 1.2577 1.2577 7.3538 7.3538 7.6463 7.6463 8.4374 8.4374 9.7565 9.7565 10.3822 10.3822 10.7489 10.7489 12.4775 12.4775 13.4450 13.4450 k = 0.6707-0.1118-0.4185 ( 2048 PWs) bands (ev): -32.0673 -32.0673 -32.0354 -32.0354 -13.1404 -13.1404 -13.0585 -13.0585 -11.8047 -11.8047 -11.7203 -11.7203 -11.5738 -11.5738 -11.5073 -11.5073 1.2428 1.2428 7.2975 7.2975 7.6688 7.6688 8.4497 8.4497 9.7401 9.7401 10.3884 10.3884 10.7722 10.7722 12.4826 12.4826 13.4486 13.4486 k = 0.6650-0.1031-0.4015 ( 2050 PWs) bands (ev): -32.0691 -32.0691 -32.0362 -32.0362 -13.1375 -13.1375 -13.0521 -13.0521 -11.8014 -11.8014 -11.7116 -11.7116 -11.5692 -11.5692 -11.5047 -11.5047 1.2275 1.2275 7.2388 7.2388 7.6933 7.6933 8.4637 8.4637 9.7196 9.7196 10.4040 10.4040 10.7957 10.7957 12.4886 12.4886 13.4479 13.4479 k = 0.6593-0.0944-0.3845 ( 2044 PWs) bands (ev): -32.0709 -32.0709 -32.0370 -32.0370 -13.1346 -13.1346 -13.0457 -13.0457 -11.7982 -11.7982 -11.7027 -11.7027 -11.5645 -11.5645 -11.5021 -11.5021 1.2118 1.2118 7.1781 7.1781 7.7201 7.7201 8.4792 8.4792 9.6955 9.6955 10.4286 10.4286 10.8190 10.8190 12.4959 12.4959 13.4431 13.4431 k = 0.6536-0.0857-0.3676 ( 2042 PWs) bands (ev): -32.0727 -32.0727 -32.0378 -32.0378 -13.1316 -13.1316 -13.0393 -13.0393 -11.7950 -11.7950 -11.6936 -11.6936 -11.5596 -11.5596 -11.4996 -11.4996 1.1958 1.1958 7.1159 7.1159 7.7489 7.7489 8.4959 8.4959 9.6685 9.6685 10.4614 10.4614 10.8419 10.8419 12.5045 12.5045 13.4344 13.4344 k = 0.6480-0.0770-0.3506 ( 2038 PWs) bands (ev): -32.0744 -32.0744 -32.0386 -32.0386 -13.1286 -13.1286 -13.0329 -13.0329 -11.7918 -11.7918 -11.6845 -11.6845 -11.5546 -11.5546 -11.4972 -11.4972 1.1795 1.1795 7.0526 7.0526 7.7797 7.7797 8.5135 8.5135 9.6396 9.6396 10.5017 10.5017 10.8643 10.8643 12.5148 12.5148 13.4216 13.4216 k = 0.6423-0.0683-0.3336 ( 2038 PWs) bands (ev): -32.0762 -32.0762 -32.0394 -32.0394 -13.1256 -13.1256 -13.0266 -13.0266 -11.7887 -11.7887 -11.6753 -11.6753 -11.5495 -11.5495 -11.4949 -11.4949 1.1629 1.1629 6.9886 6.9886 7.8126 7.8126 8.5319 8.5319 9.6095 9.6095 10.5485 10.5485 10.8858 10.8858 12.5268 12.5268 13.3997 13.3997 k = 0.6366-0.0596-0.3166 ( 2036 PWs) bands (ev): -32.0779 -32.0779 -32.0402 -32.0402 -13.1226 -13.1226 -13.0203 -13.0203 -11.7856 -11.7856 -11.6660 -11.6660 -11.5443 -11.5443 -11.4926 -11.4926 1.1461 1.1461 6.9243 6.9243 7.8473 7.8473 8.5506 8.5506 9.5791 9.5791 10.6013 10.6013 10.9061 10.9061 12.5408 12.5408 13.3414 13.3414 k = 0.6309-0.0509-0.2996 ( 2042 PWs) bands (ev): -32.0796 -32.0796 -32.0411 -32.0411 -13.1197 -13.1197 -13.0141 -13.0141 -11.7825 -11.7825 -11.6567 -11.6567 -11.5390 -11.5390 -11.4905 -11.4905 1.1292 1.1292 6.8601 6.8601 7.8839 7.8839 8.5694 8.5694 9.5488 9.5488 10.6594 10.6594 10.9250 10.9250 12.5569 12.5569 13.2638 13.2638 k = 0.6252-0.0422-0.2826 ( 2040 PWs) bands (ev): -32.0813 -32.0813 -32.0419 -32.0419 -13.1168 -13.1168 -13.0080 -13.0080 -11.7795 -11.7795 -11.6474 -11.6474 -11.5337 -11.5337 -11.4883 -11.4883 1.1122 1.1122 6.7962 6.7962 7.9222 7.9222 8.5881 8.5881 9.5194 9.5194 10.7222 10.7222 10.9423 10.9423 12.5752 12.5752 13.1863 13.1863 k = 0.6195-0.0335-0.2656 ( 2036 PWs) bands (ev): -32.0829 -32.0829 -32.0428 -32.0428 -13.1139 -13.1139 -13.0021 -13.0021 -11.7766 -11.7766 -11.6382 -11.6382 -11.5284 -11.5284 -11.4863 -11.4863 1.0952 1.0952 6.7331 6.7331 7.9622 7.9622 8.6063 8.6063 9.4912 9.4912 10.7892 10.7892 10.9576 10.9576 12.5956 12.5956 13.1116 13.1116 k = 0.6138-0.0248-0.2486 ( 2034 PWs) bands (ev): -32.0845 -32.0845 -32.0436 -32.0436 -13.1112 -13.1112 -12.9963 -12.9963 -11.7738 -11.7738 -11.6291 -11.6291 -11.5231 -11.5231 -11.4842 -11.4842 1.0783 1.0783 6.6710 6.6710 8.0036 8.0036 8.6237 8.6237 9.4648 9.4648 10.8601 10.8601 10.9708 10.9708 12.6176 12.6176 13.0410 13.0410 k = 0.6081-0.0161-0.2316 ( 2034 PWs) bands (ev): -32.0861 -32.0861 -32.0444 -32.0444 -13.1085 -13.1085 -12.9906 -12.9906 -11.7710 -11.7710 -11.6202 -11.6202 -11.5179 -11.5179 -11.4822 -11.4822 1.0614 1.0614 6.6102 6.6102 8.0463 8.0463 8.6400 8.6400 9.4404 9.4404 10.9341 10.9341 10.9819 10.9819 12.6402 12.6402 12.9760 12.9760 k = 0.6024-0.0074-0.2146 ( 2034 PWs) bands (ev): -32.0876 -32.0876 -32.0452 -32.0452 -13.1059 -13.1059 -12.9852 -12.9852 -11.7683 -11.7683 -11.6114 -11.6114 -11.5128 -11.5128 -11.4801 -11.4801 1.0449 1.0449 6.5510 6.5510 8.0902 8.0902 8.6549 8.6549 9.4184 9.4184 10.9888 10.9888 11.0130 11.0130 12.6606 12.6606 12.9196 12.9196 k = 0.5967 0.0013-0.1977 ( 2036 PWs) bands (ev): -32.0891 -32.0891 -32.0460 -32.0460 -13.1034 -13.1034 -12.9800 -12.9800 -11.7658 -11.7658 -11.6028 -11.6028 -11.5079 -11.5079 -11.4780 -11.4780 1.0286 1.0286 6.4936 6.4936 8.1350 8.1350 8.6683 8.6683 9.3989 9.3989 10.9953 10.9953 11.0924 11.0924 12.6725 12.6725 12.8787 12.8787 k = 0.5910 0.0100-0.1807 ( 2034 PWs) bands (ev): -32.0905 -32.0905 -32.0467 -32.0467 -13.1010 -13.1010 -12.9750 -12.9750 -11.7633 -11.7633 -11.5944 -11.5944 -11.5033 -11.5033 -11.4757 -11.4757 1.0126 1.0126 6.4383 6.4383 8.1805 8.1805 8.6798 8.6798 9.3822 9.3822 10.9986 10.9986 11.1747 11.1747 12.6656 12.6656 12.8634 12.8634 k = 0.5854 0.0187-0.1637 ( 2030 PWs) bands (ev): -32.0919 -32.0919 -32.0474 -32.0474 -13.0987 -13.0987 -12.9702 -12.9702 -11.7610 -11.7610 -11.5864 -11.5864 -11.4991 -11.4991 -11.4732 -11.4732 0.9972 0.9972 6.3852 6.3852 8.2264 8.2264 8.6894 8.6894 9.3683 9.3683 10.9993 10.9993 11.2590 11.2590 12.6376 12.6376 12.8763 12.8763 k = 0.5797 0.0274-0.1467 ( 2030 PWs) bands (ev): -32.0931 -32.0931 -32.0481 -32.0481 -13.0966 -13.0966 -12.9657 -12.9657 -11.7588 -11.7588 -11.5786 -11.5786 -11.4954 -11.4954 -11.4705 -11.4705 0.9822 0.9822 6.3346 6.3346 8.2724 8.2724 8.6971 8.6971 9.3571 9.3571 10.9975 10.9975 11.3449 11.3449 12.5981 12.5981 12.9078 12.9078 k = 0.5740 0.0361-0.1297 ( 2030 PWs) bands (ev): -32.0944 -32.0944 -32.0488 -32.0488 -13.0945 -13.0945 -12.9614 -12.9614 -11.7567 -11.7567 -11.5711 -11.5711 -11.4923 -11.4923 -11.4675 -11.4675 0.9679 0.9679 6.2867 6.2867 8.3182 8.3182 8.7027 8.7027 9.3487 9.3487 10.9935 10.9935 11.4318 11.4318 12.5552 12.5552 12.9497 12.9497 k = 0.5683 0.0447-0.1127 ( 2028 PWs) bands (ev): -32.0955 -32.0955 -32.0494 -32.0494 -13.0927 -13.0927 -12.9574 -12.9574 -11.7548 -11.7548 -11.5640 -11.5640 -11.4897 -11.4897 -11.4643 -11.4643 0.9542 0.9542 6.2416 6.2416 8.3634 8.3634 8.7065 8.7065 9.3428 9.3428 10.9874 10.9874 11.5192 11.5192 12.5126 12.5126 12.9981 12.9981 k = 0.5626 0.0534-0.0957 ( 2024 PWs) bands (ev): -32.0965 -32.0965 -32.0500 -32.0500 -13.0909 -13.0909 -12.9537 -12.9537 -11.7531 -11.7531 -11.5573 -11.5573 -11.4877 -11.4877 -11.4609 -11.4609 0.9414 0.9414 6.1995 6.1995 8.4076 8.4076 8.7087 8.7087 9.3391 9.3391 10.9796 10.9796 11.6065 11.6065 12.4721 12.4721 13.0512 13.0512 k = 0.5569 0.0621-0.0787 ( 2022 PWs) bands (ev): -32.0975 -32.0975 -32.0506 -32.0506 -13.0893 -13.0893 -12.9503 -12.9503 -11.7514 -11.7514 -11.5510 -11.5510 -11.4862 -11.4862 -11.4574 -11.4574 0.9294 0.9294 6.1606 6.1606 8.4504 8.4504 8.7093 8.7093 9.3373 9.3373 10.9703 10.9703 11.6929 11.6929 12.4343 12.4343 13.1080 13.1080 k = 0.5512 0.0708-0.0617 ( 2018 PWs) bands (ev): -32.0984 -32.0984 -32.0511 -32.0511 -13.0878 -13.0878 -12.9472 -12.9472 -11.7499 -11.7499 -11.5452 -11.5452 -11.4850 -11.4850 -11.4540 -11.4540 0.9183 0.9183 6.1250 6.1250 8.4913 8.4913 8.7089 8.7089 9.3371 9.3371 10.9599 10.9599 11.7775 11.7775 12.3998 12.3998 13.1678 13.1678 k = 0.5455 0.0795-0.0447 ( 2020 PWs) bands (ev): -32.0992 -32.0992 -32.0515 -32.0515 -13.0865 -13.0865 -12.9444 -12.9444 -11.7486 -11.7486 -11.5398 -11.5398 -11.4841 -11.4841 -11.4507 -11.4507 0.9081 0.9081 6.0928 6.0928 8.5298 8.5298 8.7075 8.7075 9.3380 9.3380 10.9489 10.9489 11.8594 11.8594 12.3688 12.3688 13.2301 13.2301 k = 0.5398 0.0882-0.0278 ( 2018 PWs) bands (ev): -32.0999 -32.0999 -32.0519 -32.0519 -13.0854 -13.0854 -12.9420 -12.9420 -11.7474 -11.7474 -11.5349 -11.5349 -11.4836 -11.4836 -11.4476 -11.4476 0.8990 0.8990 6.0641 6.0641 8.5654 8.5654 8.7056 8.7056 9.3397 9.3397 10.9377 10.9377 11.9372 11.9372 12.3415 12.3415 13.2941 13.2941 k = 0.5341 0.0969-0.0108 ( 2016 PWs) bands (ev): -32.1005 -32.1005 -32.0523 -32.0523 -13.0844 -13.0844 -12.9398 -12.9398 -11.7464 -11.7464 -11.5306 -11.5306 -11.4832 -11.4832 -11.4448 -11.4448 0.8910 0.8910 6.0390 6.0390 8.5976 8.5976 8.7034 8.7034 9.3419 9.3419 10.9268 10.9268 12.0095 12.0095 12.3181 12.3181 13.3592 13.3592 k = 0.5285 0.1056 0.0062 ( 2018 PWs) bands (ev): -32.1011 -32.1011 -32.0526 -32.0526 -13.0835 -13.0835 -12.9380 -12.9380 -11.7456 -11.7456 -11.5268 -11.5268 -11.4830 -11.4830 -11.4424 -11.4424 0.8842 0.8842 6.0177 6.0177 8.6259 8.6259 8.7011 8.7011 9.3443 9.3443 10.9166 10.9166 12.0745 12.0745 12.2987 12.2987 13.4242 13.4242 k = 0.5228 0.1143 0.0232 ( 2022 PWs) bands (ev): -32.1015 -32.1015 -32.0529 -32.0529 -13.0828 -13.0828 -12.9365 -12.9365 -11.7448 -11.7448 -11.5236 -11.5236 -11.4829 -11.4829 -11.4403 -11.4403 0.8785 0.8785 6.0001 6.0001 8.6498 8.6498 8.6989 8.6989 9.3466 9.3466 10.9075 10.9075 12.1300 12.1300 12.2840 12.2840 13.4870 13.4870 k = 0.5171 0.1230 0.0402 ( 2018 PWs) bands (ev): -32.1019 -32.1019 -32.0531 -32.0531 -13.0822 -13.0822 -12.9353 -12.9353 -11.7443 -11.7443 -11.5210 -11.5210 -11.4830 -11.4830 -11.4387 -11.4387 0.8741 0.8741 5.9864 5.9864 8.6689 8.6689 8.6971 8.6971 9.3486 9.3486 10.9000 10.9000 12.1733 12.1733 12.2749 12.2749 13.5445 13.5445 k = 0.5114 0.1317 0.0572 ( 2018 PWs) bands (ev): -32.1021 -32.1021 -32.0532 -32.0532 -13.0819 -13.0819 -12.9345 -12.9345 -11.7439 -11.7439 -11.5191 -11.5191 -11.4830 -11.4830 -11.4375 -11.4375 0.8709 0.8709 5.9766 5.9766 8.6828 8.6828 8.6957 8.6957 9.3502 9.3502 10.8944 10.8944 12.2013 12.2013 12.2727 12.2727 13.5937 13.5937 k = 0.5057 0.1404 0.0742 ( 2026 PWs) bands (ev): -32.1023 -32.1023 -32.0533 -32.0533 -13.0816 -13.0816 -12.9340 -12.9340 -11.7437 -11.7437 -11.5180 -11.5180 -11.4831 -11.4831 -11.4368 -11.4368 0.8690 0.8690 5.9706 5.9706 8.6908 8.6908 8.6953 8.6953 9.3512 9.3512 10.8909 10.8909 12.2139 12.2139 12.2762 12.2762 13.6294 13.6294 k = 0.5000 0.1491 0.0912 ( 2022 PWs) bands (ev): -32.1023 -32.1023 -32.0533 -32.0533 -13.0815 -13.0815 -12.9338 -12.9338 -11.7436 -11.7436 -11.5176 -11.5176 -11.4831 -11.4831 -11.4366 -11.4366 0.8683 0.8683 5.9687 5.9687 8.6928 8.6928 8.6958 8.6958 9.3515 9.3515 10.8897 10.8897 12.2170 12.2170 12.2787 12.2787 13.6427 13.6427 k = 0.5000 0.1491 0.0912 ( 2022 PWs) bands (ev): -32.1023 -32.1023 -32.0533 -32.0533 -13.0815 -13.0815 -12.9338 -12.9338 -11.7436 -11.7436 -11.5176 -11.5176 -11.4831 -11.4831 -11.4366 -11.4366 0.8683 0.8683 5.9687 5.9687 8.6928 8.6928 8.6958 8.6958 9.3515 9.3515 10.8897 10.8897 12.2170 12.2170 12.2787 12.2787 13.6427 13.6427 k = 0.4815 0.1436 0.0878 ( 2022 PWs) bands (ev): -32.1024 -32.1024 -32.0533 -32.0533 -13.0819 -13.0819 -12.9335 -12.9335 -11.7440 -11.7440 -11.5171 -11.5171 -11.4832 -11.4832 -11.4365 -11.4365 0.8678 0.8678 5.9703 5.9703 8.6926 8.6926 8.6956 8.6956 9.3448 9.3448 10.8964 10.8964 12.2164 12.2164 12.2780 12.2780 13.6370 13.6370 k = 0.4630 0.1380 0.0844 ( 2009 PWs) bands (ev): -32.1025 -32.1025 -32.0531 -32.0531 -13.0828 -13.0828 -12.9328 -12.9328 -11.7452 -11.7452 -11.5156 -11.5156 -11.4834 -11.4834 -11.4363 -11.4363 0.8664 0.8664 5.9751 5.9751 8.6918 8.6918 8.6949 8.6949 9.3252 9.3252 10.9162 10.9162 12.2148 12.2148 12.2760 12.2760 13.6223 13.6223 k = 0.4444 0.1325 0.0810 ( 2012 PWs) bands (ev): -32.1028 -32.1028 -32.0528 -32.0528 -13.0842 -13.0842 -12.9315 -12.9315 -11.7472 -11.7472 -11.5131 -11.5131 -11.4837 -11.4837 -11.4360 -11.4360 0.8641 0.8641 5.9829 5.9829 8.6905 8.6905 8.6936 8.6936 9.2937 9.2937 10.9479 10.9479 12.2120 12.2120 12.2727 12.2727 13.6029 13.6029 k = 0.4259 0.1270 0.0777 ( 2012 PWs) bands (ev): -32.1031 -32.1031 -32.0525 -32.0525 -13.0863 -13.0863 -12.9298 -12.9298 -11.7499 -11.7499 -11.5097 -11.5097 -11.4841 -11.4841 -11.4355 -11.4355 0.8608 0.8608 5.9939 5.9939 8.6888 8.6888 8.6919 8.6919 9.2518 9.2518 10.9900 10.9900 12.2080 12.2080 12.2680 12.2680 13.5827 13.5827 k = 0.4074 0.1215 0.0743 ( 2012 PWs) bands (ev): -32.1035 -32.1035 -32.0521 -32.0521 -13.0887 -13.0887 -12.9277 -12.9277 -11.7532 -11.7532 -11.5056 -11.5056 -11.4846 -11.4846 -11.4350 -11.4350 0.8567 0.8567 6.0079 6.0079 8.6866 8.6866 8.6897 8.6897 9.2013 9.2013 11.0407 11.0407 12.2029 12.2029 12.2619 12.2619 13.5640 13.5641 k = 0.3889 0.1159 0.0709 ( 2012 PWs) bands (ev): -32.1040 -32.1040 -32.0516 -32.0516 -13.0916 -13.0916 -12.9253 -12.9253 -11.7570 -11.7570 -11.5008 -11.5008 -11.4853 -11.4853 -11.4343 -11.4343 0.8519 0.8519 6.0248 6.0248 8.6840 8.6840 8.6872 8.6872 9.1437 9.1437 11.0983 11.0983 12.1964 12.1964 12.2544 12.2544 13.5484 13.5484 k = 0.3704 0.1104 0.0675 ( 2012 PWs) bands (ev): -32.1045 -32.1045 -32.0511 -32.0511 -13.0948 -13.0948 -12.9226 -12.9226 -11.7613 -11.7613 -11.4955 -11.4955 -11.4860 -11.4860 -11.4336 -11.4336 0.8463 0.8463 6.0445 6.0445 8.6810 8.6810 8.6842 8.6842 9.0807 9.0807 11.1611 11.1611 12.1888 12.1888 12.2454 12.2454 13.5366 13.5366 k = 0.3519 0.1049 0.0642 ( 2012 PWs) bands (ev): -32.1051 -32.1051 -32.0505 -32.0505 -13.0983 -13.0983 -12.9197 -12.9197 -11.7658 -11.7658 -11.4897 -11.4897 -11.4867 -11.4867 -11.4329 -11.4329 0.8401 0.8401 6.0669 6.0669 8.6777 8.6777 8.6809 8.6809 9.0136 9.0136 11.2278 11.2278 12.1799 12.1799 12.2351 12.2351 13.5291 13.5291 k = 0.3333 0.0994 0.0608 ( 2006 PWs) bands (ev): -32.1057 -32.1057 -32.0498 -32.0498 -13.1019 -13.1019 -12.9167 -12.9167 -11.7705 -11.7705 -11.4875 -11.4875 -11.4836 -11.4836 -11.4320 -11.4320 0.8333 0.8333 6.0918 6.0918 8.6741 8.6741 8.6774 8.6774 8.9436 8.9436 11.2971 11.2971 12.1698 12.1698 12.2235 12.2235 13.5262 13.5262 k = 0.3148 0.0939 0.0574 ( 2012 PWs) bands (ev): -32.1064 -32.1064 -32.0492 -32.0492 -13.1057 -13.1057 -12.9136 -12.9136 -11.7753 -11.7753 -11.4884 -11.4884 -11.4773 -11.4773 -11.4312 -11.4312 0.8261 0.8261 6.1191 6.1191 8.6702 8.6702 8.6735 8.6735 8.8717 8.8717 11.3678 11.3678 12.1587 12.1587 12.2108 12.2108 13.5278 13.5279 k = 0.2963 0.0883 0.0540 ( 2009 PWs) bands (ev): -32.1071 -32.1071 -32.0485 -32.0485 -13.1096 -13.1096 -12.9105 -12.9105 -11.7801 -11.7801 -11.4892 -11.4892 -11.4709 -11.4709 -11.4303 -11.4303 0.8186 0.8186 6.1485 6.1485 8.6662 8.6662 8.6694 8.6694 8.7987 8.7987 11.4392 11.4392 12.1466 12.1466 12.1971 12.1971 13.5339 13.5339 k = 0.2778 0.0828 0.0507 ( 2006 PWs) bands (ev): -32.1077 -32.1077 -32.0477 -32.0477 -13.1134 -13.1134 -12.9073 -12.9073 -11.7849 -11.7849 -11.4901 -11.4901 -11.4645 -11.4645 -11.4294 -11.4294 0.8108 0.8108 6.1799 6.1799 8.6620 8.6620 8.6648 8.6648 8.7256 8.7256 11.5103 11.5103 12.1338 12.1338 12.1827 12.1827 13.5442 13.5442 k = 0.2593 0.0773 0.0473 ( 2006 PWs) bands (ev): -32.1084 -32.1084 -32.0470 -32.0470 -13.1172 -13.1172 -12.9043 -12.9043 -11.7897 -11.7897 -11.4909 -11.4909 -11.4581 -11.4581 -11.4286 -11.4286 0.8029 0.8029 6.2129 6.2129 8.6468 8.6468 8.6578 8.6578 8.6661 8.6661 11.5804 11.5804 12.1204 12.1204 12.1678 12.1678 13.5583 13.5583 k = 0.2407 0.0718 0.0439 ( 2012 PWs) bands (ev): -32.1091 -32.1091 -32.0464 -32.0464 -13.1210 -13.1210 -12.9013 -12.9013 -11.7942 -11.7942 -11.4918 -11.4918 -11.4519 -11.4519 -11.4277 -11.4277 0.7950 0.7950 6.2472 6.2472 8.5777 8.5777 8.6536 8.6536 8.6584 8.6584 11.6490 11.6490 12.1067 12.1067 12.1527 12.1527 13.5759 13.5760 k = 0.2222 0.0663 0.0405 ( 2012 PWs) bands (ev): -32.1098 -32.1098 -32.0457 -32.0457 -13.1246 -13.1246 -12.8984 -12.8984 -11.7986 -11.7986 -11.4926 -11.4926 -11.4459 -11.4459 -11.4269 -11.4269 0.7872 0.7872 6.2827 6.2827 8.5067 8.5067 8.6494 8.6494 8.6540 8.6540 11.7153 11.7153 12.0929 12.0929 12.1376 12.1376 13.5965 13.5965 k = 0.2037 0.0607 0.0371 ( 2015 PWs) bands (ev): -32.1104 -32.1104 -32.0451 -32.0451 -13.1280 -13.1280 -12.8957 -12.8957 -11.8028 -11.8028 -11.4934 -11.4934 -11.4401 -11.4401 -11.4261 -11.4261 0.7795 0.7795 6.3188 6.3188 8.4374 8.4374 8.6454 8.6454 8.6499 8.6499 11.7788 11.7788 12.0792 12.0792 12.1229 12.1229 13.6195 13.6196 k = 0.1852 0.0552 0.0338 ( 2015 PWs) bands (ev): -32.1110 -32.1110 -32.0445 -32.0445 -13.1313 -13.1313 -12.8932 -12.8932 -11.8067 -11.8067 -11.4941 -11.4941 -11.4347 -11.4347 -11.4253 -11.4253 0.7721 0.7721 6.3552 6.3552 8.3704 8.3704 8.6415 8.6415 8.6460 8.6460 11.8388 11.8388 12.0660 12.0660 12.1088 12.1088 13.6444 13.6445 k = 0.1667 0.0497 0.0304 ( 2006 PWs) bands (ev): -32.1116 -32.1116 -32.0439 -32.0439 -13.1343 -13.1343 -12.8908 -12.8908 -11.8103 -11.8103 -11.4948 -11.4948 -11.4296 -11.4296 -11.4246 -11.4246 0.7652 0.7652 6.3914 6.3914 8.3064 8.3064 8.6378 8.6378 8.6423 8.6423 11.8948 11.8948 12.0533 12.0533 12.0958 12.0958 13.6703 13.6705 k = 0.1481 0.0442 0.0270 ( 2015 PWs) bands (ev): -32.1121 -32.1121 -32.0434 -32.0434 -13.1371 -13.1371 -12.8887 -12.8887 -11.8135 -11.8135 -11.4954 -11.4954 -11.4250 -11.4250 -11.4240 -11.4240 0.7587 0.7587 6.4268 6.4268 8.2459 8.2459 8.6343 8.6343 8.6389 8.6389 11.9458 11.9458 12.0414 12.0414 12.0844 12.0844 13.6967 13.6984 k = 0.1296 0.0386 0.0236 ( 2015 PWs) bands (ev): -32.1126 -32.1126 -32.0429 -32.0429 -13.1396 -13.1396 -12.8867 -12.8867 -11.8165 -11.8165 -11.4959 -11.4959 -11.4234 -11.4234 -11.4208 -11.4208 0.7527 0.7527 6.4609 6.4609 8.1897 8.1897 8.6312 8.6312 8.6358 8.6358 11.9902 11.9902 12.0305 12.0305 12.0760 12.0760 13.7228 13.7233 k = 0.1111 0.0331 0.0203 ( 2015 PWs) bands (ev): -32.1130 -32.1130 -32.0425 -32.0425 -13.1418 -13.1418 -12.8850 -12.8850 -11.8191 -11.8191 -11.4964 -11.4964 -11.4229 -11.4229 -11.4170 -11.4170 0.7474 0.7474 6.4928 6.4928 8.1384 8.1384 8.6284 8.6284 8.6331 8.6331 12.0207 12.0207 12.0227 12.0227 12.0755 12.0755 13.7481 13.7492 k = 0.0926 0.0276 0.0169 ( 2009 PWs) bands (ev): -32.1133 -32.1133 -32.0421 -32.0421 -13.1437 -13.1437 -12.8836 -12.8836 -11.8213 -11.8213 -11.4969 -11.4969 -11.4225 -11.4225 -11.4139 -11.4139 0.7429 0.7429 6.5220 6.5220 8.0930 8.0930 8.6260 8.6260 8.6307 8.6307 12.0122 12.0122 12.0338 12.0338 12.0921 12.0921 13.7710 13.7718 k = 0.0741 0.0221 0.0135 ( 1997 PWs) bands (ev): -32.1136 -32.1136 -32.0418 -32.0418 -13.1453 -13.1453 -12.8824 -12.8824 -11.8231 -11.8231 -11.4972 -11.4972 -11.4221 -11.4221 -11.4112 -11.4112 0.7390 0.7390 6.5474 6.5474 8.0542 8.0542 8.6239 8.6239 8.6287 8.6287 12.0051 12.0051 12.0322 12.0322 12.1169 12.1169 13.7915 13.7917 k = 0.0556 0.0166 0.0101 ( 1997 PWs) bands (ev): -32.1138 -32.1138 -32.0415 -32.0415 -13.1466 -13.1466 -12.8814 -12.8814 -11.8245 -11.8245 -11.4975 -11.4975 -11.4218 -11.4218 -11.4091 -11.4091 0.7360 0.7360 6.5684 6.5684 8.0229 8.0229 8.6223 8.6223 8.6271 8.6271 11.9994 11.9994 12.0284 12.0284 12.1390 12.1390 13.8082 13.8087 k = 0.0370 0.0110 0.0068 ( 2006 PWs) bands (ev): -32.1140 -32.1140 -32.0414 -32.0414 -13.1475 -13.1475 -12.8808 -12.8808 -11.8255 -11.8255 -11.4977 -11.4977 -11.4216 -11.4216 -11.4076 -11.4076 0.7338 0.7338 6.5840 6.5840 7.9999 7.9999 8.6212 8.6212 8.6260 8.6260 11.9953 11.9953 12.0251 12.0251 12.1557 12.1557 13.8207 13.8210 k = 0.0185 0.0055 0.0034 ( 2009 PWs) bands (ev): -32.1141 -32.1141 -32.0412 -32.0412 -13.1480 -13.1480 -12.8804 -12.8804 -11.8262 -11.8262 -11.4978 -11.4978 -11.4215 -11.4215 -11.4067 -11.4067 0.7324 0.7324 6.5936 6.5936 7.9857 7.9857 8.6205 8.6205 8.6253 8.6253 11.9929 11.9929 12.0229 12.0229 12.1659 12.1659 13.8286 13.8289 k = 0.0000 0.0000 0.0000 ( 2015 PWs) bands (ev): -32.1142 -32.1142 -32.0412 -32.0412 -13.1482 -13.1482 -12.8802 -12.8802 -11.8264 -11.8264 -11.4978 -11.4978 -11.4215 -11.4215 -11.4064 -11.4064 0.7320 0.7320 6.5969 6.5969 7.9810 7.9810 8.6202 8.6202 8.6250 8.6250 11.9921 11.9921 12.0221 12.0221 12.1693 12.1693 13.8311 13.8314 k = 0.0000 0.0000 0.0000 ( 2015 PWs) bands (ev): -32.1142 -32.1142 -32.0412 -32.0412 -13.1482 -13.1482 -12.8802 -12.8802 -11.8264 -11.8264 -11.4978 -11.4978 -11.4215 -11.4215 -11.4064 -11.4064 0.7320 0.7320 6.5969 6.5969 7.9810 7.9810 8.6202 8.6202 8.6250 8.6250 11.9921 11.9921 12.0221 12.0221 12.1693 12.1693 13.8312 13.8315 k = 0.0057-0.0087-0.0171 ( 2015 PWs) bands (ev): -32.1141 -32.1141 -32.0412 -32.0412 -13.1482 -13.1482 -12.8804 -12.8804 -11.8264 -11.8264 -11.4981 -11.4981 -11.4218 -11.4218 -11.4066 -11.4066 0.7328 0.7328 6.5988 6.5988 7.9754 7.9754 8.6221 8.6221 8.6288 8.6288 11.9907 11.9907 12.0212 12.0212 12.1702 12.1702 13.7926 13.7926 k = 0.0115-0.0175-0.0342 ( 2013 PWs) bands (ev): -32.1139 -32.1139 -32.0411 -32.0411 -13.1482 -13.1482 -12.8810 -12.8810 -11.8265 -11.8265 -11.4990 -11.4990 -11.4227 -11.4227 -11.4069 -11.4069 0.7354 0.7354 6.6044 6.6044 7.9592 7.9592 8.6241 8.6241 8.6430 8.6430 11.9847 11.9847 12.0203 12.0203 12.1730 12.1730 13.7129 13.7129 k = 0.0172-0.0262-0.0513 ( 2011 PWs) bands (ev): -32.1137 -32.1137 -32.0410 -32.0410 -13.1483 -13.1483 -12.8820 -12.8820 -11.8266 -11.8266 -11.5005 -11.5005 -11.4243 -11.4243 -11.4074 -11.4074 0.7396 0.7396 6.6138 6.6138 7.9339 7.9339 8.6265 8.6265 8.6661 8.6661 11.9710 11.9710 12.0228 12.0228 12.1776 12.1776 13.6220 13.6220 k = 0.0229-0.0350-0.0684 ( 2009 PWs) bands (ev): -32.1133 -32.1133 -32.0408 -32.0408 -13.1485 -13.1485 -12.8834 -12.8834 -11.8269 -11.8269 -11.5026 -11.5026 -11.4265 -11.4265 -11.4081 -11.4081 0.7455 0.7455 6.6269 6.6269 7.9014 7.9014 8.6297 8.6297 8.6956 8.6956 11.9492 11.9492 12.0289 12.0289 12.1841 12.1841 13.5285 13.5285 k = 0.0286-0.0437-0.0855 ( 2015 PWs) bands (ev): -32.1128 -32.1128 -32.0406 -32.0406 -13.1486 -13.1486 -12.8852 -12.8852 -11.8271 -11.8271 -11.5052 -11.5052 -11.4295 -11.4295 -11.4088 -11.4088 0.7530 0.7530 6.6436 6.6436 7.8635 7.8635 8.6336 8.6336 8.7297 8.7297 11.9203 11.9203 12.0379 12.0379 12.1925 12.1925 13.4350 13.4350 k = 0.0344-0.0525-0.1026 ( 2019 PWs) bands (ev): -32.1122 -32.1122 -32.0404 -32.0404 -13.1489 -13.1489 -12.8874 -12.8874 -11.8275 -11.8275 -11.5084 -11.5084 -11.4331 -11.4331 -11.4097 -11.4097 0.7621 0.7621 6.6639 6.6639 7.8219 7.8219 8.6382 8.6382 8.7668 8.7668 11.8853 11.8853 12.0490 12.0490 12.2028 12.2028 13.3429 13.3429 k = 0.0401-0.0612-0.1197 ( 2021 PWs) bands (ev): -32.1115 -32.1115 -32.0401 -32.0401 -13.1491 -13.1491 -12.8899 -12.8899 -11.8278 -11.8278 -11.5121 -11.5121 -11.4374 -11.4374 -11.4106 -11.4106 0.7727 0.7727 6.6877 6.6877 7.7778 7.7778 8.6434 8.6434 8.8057 8.8057 11.8451 11.8451 12.0617 12.0617 12.2149 12.2149 13.2529 13.2529 k = 0.0458-0.0700-0.1368 ( 2027 PWs) bands (ev): -32.1107 -32.1107 -32.0398 -32.0398 -13.1494 -13.1494 -12.8929 -12.8929 -11.8283 -11.8283 -11.5162 -11.5162 -11.4424 -11.4424 -11.4117 -11.4117 0.7848 0.7848 6.7150 6.7150 7.7322 7.7322 8.6491 8.6491 8.8454 8.8454 11.8002 11.8002 12.0755 12.0755 12.2286 12.2286 13.1657 13.1657 k = 0.0515-0.0787-0.1538 ( 2029 PWs) bands (ev): -32.1098 -32.1098 -32.0394 -32.0394 -13.1498 -13.1498 -12.8962 -12.8962 -11.8288 -11.8288 -11.5209 -11.5209 -11.4481 -11.4481 -11.4128 -11.4128 0.7982 0.7982 6.7455 6.7455 7.6859 7.6859 8.6553 8.6553 8.8852 8.8852 11.7514 11.7514 12.0899 12.0899 12.2437 12.2437 13.0817 13.0817 k = 0.0573-0.0875-0.1709 ( 2031 PWs) bands (ev): -32.1088 -32.1088 -32.0390 -32.0390 -13.1502 -13.1502 -12.8999 -12.8999 -11.8293 -11.8293 -11.5260 -11.5260 -11.4543 -11.4543 -11.4141 -11.4141 0.8130 0.8130 6.7792 6.7792 7.6396 7.6396 8.6618 8.6618 8.9245 8.9245 11.6993 11.6993 12.1043 12.1043 12.2599 12.2599 13.0012 13.0012 k = 0.0630-0.0962-0.1880 ( 2031 PWs) bands (ev): -32.1077 -32.1077 -32.0386 -32.0386 -13.1506 -13.1506 -12.9039 -12.9039 -11.8298 -11.8298 -11.5316 -11.5316 -11.4610 -11.4610 -11.4155 -11.4155 0.8289 0.8289 6.8159 6.8159 7.5937 7.5937 8.6684 8.6684 8.9630 8.9630 11.6446 11.6446 12.1181 12.1181 12.2771 12.2771 12.9245 12.9245 k = 0.0687-0.1050-0.2051 ( 2031 PWs) bands (ev): -32.1065 -32.1065 -32.0381 -32.0381 -13.1511 -13.1511 -12.9083 -12.9083 -11.8304 -11.8304 -11.5375 -11.5375 -11.4682 -11.4682 -11.4170 -11.4170 0.8460 0.8460 6.8555 6.8555 7.5486 7.5486 8.6751 8.6751 9.0002 9.0002 11.5878 11.5878 12.1305 12.1305 12.2948 12.2948 12.8518 12.8518 k = 0.0744-0.1137-0.2222 ( 2031 PWs) bands (ev): -32.1053 -32.1053 -32.0376 -32.0376 -13.1517 -13.1517 -12.9130 -12.9130 -11.8310 -11.8310 -11.5439 -11.5439 -11.4758 -11.4758 -11.4186 -11.4186 0.8641 0.8641 6.8978 6.8978 7.5048 7.5048 8.6816 8.6816 9.0359 9.0359 11.5295 11.5295 12.1406 12.1406 12.3129 12.3129 12.7833 12.7833 k = 0.0802-0.1225-0.2393 ( 2031 PWs) bands (ev): -32.1039 -32.1039 -32.0370 -32.0370 -13.1523 -13.1523 -12.9180 -12.9180 -11.8316 -11.8316 -11.5506 -11.5506 -11.4838 -11.4838 -11.4204 -11.4204 0.8831 0.8831 6.9426 6.9426 7.4625 7.4625 8.6879 8.6879 9.0700 9.0700 11.4704 11.4704 12.1471 12.1471 12.3313 12.3313 12.7192 12.7192 k = 0.0859-0.1312-0.2564 ( 2031 PWs) bands (ev): -32.1025 -32.1025 -32.0365 -32.0365 -13.1529 -13.1529 -12.9234 -12.9234 -11.8322 -11.8322 -11.5577 -11.5577 -11.4920 -11.4920 -11.4224 -11.4224 0.9029 0.9029 6.9898 6.9898 7.4220 7.4220 8.6936 8.6936 9.1023 9.1023 11.4108 11.4108 12.1487 12.1487 12.3501 12.3501 12.6596 12.6596 k = 0.0916-0.1400-0.2735 ( 2025 PWs) bands (ev): -32.1009 -32.1009 -32.0359 -32.0359 -13.1537 -13.1537 -12.9290 -12.9290 -11.8328 -11.8328 -11.5651 -11.5651 -11.5006 -11.5006 -11.4245 -11.4245 0.9234 0.9234 7.0392 7.0392 7.3835 7.3835 8.6988 8.6988 9.1326 9.1326 11.3514 11.3514 12.1442 12.1442 12.3696 12.3696 12.6046 12.6046 k = 0.0973-0.1487-0.2906 ( 2027 PWs) bands (ev): -32.0994 -32.0994 -32.0353 -32.0353 -13.1544 -13.1544 -12.9349 -12.9349 -11.8333 -11.8333 -11.5728 -11.5728 -11.5093 -11.5093 -11.4267 -11.4267 0.9444 0.9444 7.0905 7.0905 7.3473 7.3473 8.7031 8.7031 9.1610 9.1610 11.2925 11.2925 12.1322 12.1322 12.3899 12.3899 12.5543 12.5543 k = 0.1031-0.1575-0.3077 ( 2025 PWs) bands (ev): -32.0977 -32.0977 -32.0347 -32.0347 -13.1553 -13.1553 -12.9411 -12.9411 -11.8339 -11.8339 -11.5808 -11.5808 -11.5181 -11.5181 -11.4292 -11.4292 0.9659 0.9659 7.1435 7.1435 7.3135 7.3135 8.7065 8.7065 9.1875 9.1875 11.2346 11.2346 12.1123 12.1123 12.4108 12.4108 12.5092 12.5092 k = 0.1088-0.1662-0.3248 ( 2031 PWs) bands (ev): -32.0960 -32.0960 -32.0340 -32.0340 -13.1562 -13.1562 -12.9475 -12.9475 -11.8344 -11.8344 -11.5891 -11.5891 -11.5270 -11.5270 -11.4317 -11.4317 0.9878 0.9878 7.1977 7.1977 7.2824 7.2824 8.7088 8.7088 9.2120 9.2120 11.1781 11.1781 12.0841 12.0841 12.4285 12.4285 12.4734 12.4734 k = 0.1145-0.1750-0.3419 ( 2035 PWs) bands (ev): -32.0943 -32.0943 -32.0334 -32.0334 -13.1571 -13.1571 -12.9542 -12.9542 -11.8349 -11.8349 -11.5976 -11.5976 -11.5359 -11.5359 -11.4345 -11.4345 1.0099 1.0099 7.2466 7.2466 7.2607 7.2607 8.7098 8.7098 9.2346 9.2346 11.1234 11.1234 12.0482 12.0482 12.4170 12.4170 12.4726 12.4726 k = 0.1202-0.1837-0.3590 ( 2033 PWs) bands (ev): -32.0924 -32.0924 -32.0328 -32.0328 -13.1581 -13.1581 -12.9610 -12.9610 -11.8354 -11.8354 -11.6064 -11.6064 -11.5447 -11.5447 -11.4373 -11.4373 1.0321 1.0321 7.2267 7.2267 7.3116 7.3116 8.7096 8.7096 9.2553 9.2553 11.0708 11.0708 12.0051 12.0051 12.3865 12.3865 12.4966 12.4966 k = 0.1260-0.1924-0.3761 ( 2031 PWs) bands (ev): -32.0906 -32.0906 -32.0321 -32.0321 -13.1591 -13.1591 -12.9680 -12.9680 -11.8358 -11.8358 -11.6155 -11.6155 -11.5535 -11.5535 -11.4404 -11.4404 1.0543 1.0543 7.2039 7.2039 7.3689 7.3689 8.7079 8.7079 9.2743 9.2743 11.0208 11.0208 11.9559 11.9559 12.3564 12.3564 12.5254 12.5254 k = 0.1317-0.2012-0.3932 ( 2033 PWs) bands (ev): -32.0887 -32.0887 -32.0315 -32.0315 -13.1602 -13.1602 -12.9752 -12.9752 -11.8361 -11.8361 -11.6247 -11.6247 -11.5621 -11.5621 -11.4436 -11.4436 1.0765 1.0765 7.1840 7.1840 7.4269 7.4269 8.7047 8.7047 9.2916 9.2916 10.9735 10.9735 11.9015 11.9015 12.3285 12.3285 12.5567 12.5567 k = 0.1374-0.2099-0.4103 ( 2031 PWs) bands (ev): -32.0867 -32.0867 -32.0309 -32.0309 -13.1613 -13.1613 -12.9825 -12.9825 -11.8364 -11.8364 -11.6341 -11.6341 -11.5705 -11.5705 -11.4469 -11.4469 1.0985 1.0985 7.1670 7.1670 7.4852 7.4852 8.6999 8.6999 9.3074 9.3074 10.9293 10.9293 11.8429 11.8429 12.3029 12.3029 12.5901 12.5901 k = 0.1431-0.2187-0.4273 ( 2037 PWs) bands (ev): -32.0847 -32.0847 -32.0303 -32.0303 -13.1625 -13.1625 -12.9899 -12.9899 -11.8366 -11.8366 -11.6437 -11.6437 -11.5787 -11.5787 -11.4504 -11.4504 1.1201 1.1201 7.1530 7.1530 7.5435 7.5435 8.6936 8.6936 9.3219 9.3219 10.8885 10.8885 11.7809 11.7809 12.2791 12.2791 12.6253 12.6253 k = 0.1489-0.2274-0.4444 ( 2029 PWs) bands (ev): -32.0827 -32.0827 -32.0297 -32.0297 -13.1636 -13.1636 -12.9974 -12.9974 -11.8367 -11.8367 -11.6533 -11.6533 -11.5866 -11.5866 -11.4540 -11.4540 1.1415 1.1415 7.1420 7.1420 7.6015 7.6015 8.6858 8.6858 9.3352 9.3352 10.8513 10.8513 11.7164 11.7164 12.2564 12.2564 12.6625 12.6625 k = 0.1546-0.2362-0.4615 ( 2029 PWs) bands (ev): -32.0807 -32.0807 -32.0291 -32.0291 -13.1648 -13.1648 -13.0049 -13.0049 -11.8368 -11.8368 -11.6630 -11.6630 -11.5943 -11.5943 -11.4578 -11.4578 1.1623 1.1623 7.1340 7.1340 7.6589 7.6589 8.6764 8.6764 9.3474 9.3474 10.8181 10.8181 11.6501 11.6501 12.2343 12.2343 12.7014 12.7014 k = 0.1603-0.2449-0.4786 ( 2033 PWs) bands (ev): -32.0787 -32.0787 -32.0285 -32.0285 -13.1659 -13.1659 -13.0125 -13.0125 -11.8368 -11.8368 -11.6727 -11.6727 -11.6017 -11.6017 -11.4617 -11.4617 1.1827 1.1827 7.1291 7.1291 7.7155 7.7155 8.6655 8.6655 9.3588 9.3588 10.7890 10.7890 11.5825 11.5825 12.2121 12.2121 12.7420 12.7420 k = 0.1660-0.2537-0.4957 ( 2031 PWs) bands (ev): -32.0767 -32.0767 -32.0280 -32.0280 -13.1671 -13.1671 -13.0201 -13.0201 -11.8368 -11.8368 -11.6824 -11.6824 -11.6088 -11.6088 -11.4657 -11.4657 1.2025 1.2025 7.1271 7.1271 7.7709 7.7709 8.6533 8.6533 9.3695 9.3695 10.7643 10.7643 11.5144 11.5144 12.1892 12.1892 12.7843 12.7843 k = 0.1718-0.2624-0.5128 ( 2033 PWs) bands (ev): -32.0746 -32.0746 -32.0275 -32.0275 -13.1682 -13.1682 -13.0276 -13.0276 -11.8367 -11.8367 -11.6920 -11.6920 -11.6156 -11.6156 -11.4699 -11.4699 1.2217 1.2217 7.1280 7.1280 7.8249 7.8249 8.6398 8.6398 9.3798 9.3798 10.7442 10.7442 11.4460 11.4460 12.1651 12.1651 12.8282 12.8282 k = 0.1775-0.2712-0.5299 ( 2037 PWs) bands (ev): -32.0726 -32.0726 -32.0270 -32.0270 -13.1693 -13.1693 -13.0351 -13.0351 -11.8365 -11.8365 -11.7015 -11.7015 -11.6221 -11.6221 -11.4742 -11.4742 1.2402 1.2402 7.1316 7.1316 7.8773 7.8773 8.6250 8.6250 9.3898 9.3898 10.7288 10.7288 11.3779 11.3779 12.1393 12.1393 12.8737 12.8737 k = 0.1832-0.2799-0.5470 ( 2037 PWs) bands (ev): -32.0706 -32.0706 -32.0266 -32.0266 -13.1704 -13.1704 -13.0425 -13.0425 -11.8364 -11.8364 -11.7108 -11.7108 -11.6282 -11.6282 -11.4786 -11.4786 1.2580 1.2580 7.1380 7.1380 7.9277 7.9277 8.6092 8.6092 9.3997 9.3997 10.7183 10.7183 11.3104 11.3104 12.1115 12.1115 12.9207 12.9207 k = 0.1889-0.2887-0.5641 ( 2041 PWs) bands (ev): -32.0686 -32.0686 -32.0262 -32.0262 -13.1714 -13.1714 -13.0499 -13.0499 -11.8363 -11.8363 -11.7198 -11.7198 -11.6341 -11.6341 -11.4831 -11.4831 1.2750 1.2750 7.1469 7.1469 7.9759 7.9759 8.5924 8.5924 9.4097 9.4097 10.7128 10.7128 11.2438 11.2438 12.0813 12.0813 12.9692 12.9692 k = 0.1947-0.2974-0.5812 ( 2041 PWs) bands (ev): -32.0666 -32.0666 -32.0258 -32.0258 -13.1723 -13.1723 -13.0571 -13.0571 -11.8362 -11.8362 -11.7286 -11.7286 -11.6396 -11.6396 -11.4877 -11.4877 1.2913 1.2913 7.1582 7.1582 8.0218 8.0218 8.5748 8.5748 9.4200 9.4200 10.7124 10.7124 11.1785 11.1785 12.0488 12.0488 13.0189 13.0189 k = 0.2004-0.3062-0.5983 ( 2041 PWs) bands (ev): -32.0646 -32.0646 -32.0255 -32.0255 -13.1732 -13.1732 -13.0641 -13.0641 -11.8362 -11.8362 -11.7369 -11.7369 -11.6447 -11.6447 -11.4924 -11.4924 1.3068 1.3068 7.1717 7.1717 8.0651 8.0651 8.5566 8.5566 9.4308 9.4308 10.7170 10.7170 11.1148 11.1148 12.0140 12.0140 13.0698 13.0698 k = 0.2061-0.3149-0.6154 ( 2043 PWs) bands (ev): -32.0626 -32.0626 -32.0252 -32.0252 -13.1740 -13.1740 -13.0710 -13.0710 -11.8363 -11.8363 -11.7449 -11.7449 -11.6494 -11.6494 -11.4971 -11.4971 1.3216 1.3216 7.1874 7.1874 8.1054 8.1054 8.5379 8.5379 9.4423 9.4423 10.7268 10.7268 11.0529 11.0529 11.9769 11.9769 13.1217 13.1217 k = 0.2118-0.3237-0.6325 ( 2045 PWs) bands (ev): -32.0607 -32.0607 -32.0250 -32.0250 -13.1748 -13.1748 -13.0777 -13.0777 -11.8367 -11.8367 -11.7524 -11.7524 -11.6538 -11.6538 -11.5020 -11.5020 1.3355 1.3355 7.2049 7.2049 8.1427 8.1427 8.5189 8.5189 9.4546 9.4546 10.7415 10.7415 10.9929 10.9929 11.9379 11.9379 13.1745 13.1745 k = 0.2176-0.3324-0.6496 ( 2045 PWs) bands (ev): -32.0588 -32.0588 -32.0248 -32.0248 -13.1754 -13.1754 -13.0841 -13.0841 -11.8372 -11.8372 -11.7593 -11.7593 -11.6577 -11.6577 -11.5069 -11.5069 1.3487 1.3487 7.2241 7.2241 8.1766 8.1766 8.4999 8.4999 9.4678 9.4678 10.7611 10.7611 10.9354 10.9354 11.8973 11.8973 13.2280 13.2280 k = 0.2233-0.3412-0.6667 ( 2051 PWs) bands (ev): -32.0570 -32.0570 -32.0247 -32.0247 -13.1759 -13.1759 -13.0904 -13.0904 -11.8382 -11.8382 -11.7657 -11.7657 -11.6613 -11.6613 -11.5118 -11.5118 1.3610 1.3610 7.2449 7.2449 8.2067 8.2067 8.4814 8.4814 9.4821 9.4821 10.7851 10.7851 10.8805 10.8805 11.8554 11.8554 13.2819 13.2819 k = 0.2290-0.3499-0.6838 ( 2055 PWs) bands (ev): -32.0552 -32.0552 -32.0246 -32.0246 -13.1763 -13.1763 -13.0964 -13.0964 -11.8394 -11.8394 -11.7713 -11.7713 -11.6644 -11.6644 -11.5168 -11.5168 1.3726 1.3726 7.2669 7.2669 8.2323 8.2323 8.4641 8.4641 9.4976 9.4976 10.8090 10.8090 10.8327 10.8327 11.8127 11.8127 13.3358 13.3358 k = 0.2347-0.3586-0.7008 ( 2053 PWs) bands (ev): -32.0534 -32.0534 -32.0246 -32.0246 -13.1767 -13.1767 -13.1022 -13.1022 -11.8412 -11.8412 -11.7762 -11.7762 -11.6671 -11.6671 -11.5218 -11.5218 1.3834 1.3834 7.2901 7.2901 8.2524 8.2524 8.4491 8.4491 9.5143 9.5143 10.7750 10.7750 10.8498 10.8498 11.7697 11.7697 13.3894 13.3894 k = 0.2405-0.3674-0.7179 ( 2053 PWs) bands (ev): -32.0517 -32.0517 -32.0246 -32.0246 -13.1769 -13.1769 -13.1076 -13.1076 -11.8433 -11.8433 -11.7804 -11.7804 -11.6693 -11.6693 -11.5268 -11.5268 1.3935 1.3935 7.3141 7.3141 8.2655 8.2655 8.4378 8.4378 9.5324 9.5324 10.7287 10.7287 10.8859 10.8859 11.7270 11.7270 13.4421 13.4421 k = 0.2462-0.3761-0.7350 ( 2057 PWs) bands (ev): -32.0500 -32.0500 -32.0247 -32.0247 -13.1770 -13.1770 -13.1128 -13.1128 -11.8459 -11.8459 -11.7839 -11.7839 -11.6710 -11.6710 -11.5318 -11.5318 1.4029 1.4029 7.3389 7.3389 8.2700 8.2700 8.4321 8.4321 9.5518 9.5518 10.6848 10.6848 10.9259 10.9259 11.6851 11.6851 13.4932 13.4932 k = 0.2519-0.3849-0.7521 ( 2061 PWs) bands (ev): -32.0484 -32.0484 -32.0248 -32.0248 -13.1770 -13.1770 -13.1177 -13.1177 -11.8488 -11.8488 -11.7867 -11.7867 -11.6722 -11.6722 -11.5367 -11.5367 1.4115 1.4115 7.3641 7.3641 8.2652 8.2652 8.4325 8.4325 9.5725 9.5725 10.6439 10.6439 10.9687 10.9687 11.6446 11.6446 13.5419 13.5419 k = 0.2576-0.3936-0.7692 ( 2057 PWs) bands (ev): -32.0468 -32.0468 -32.0250 -32.0250 -13.1770 -13.1770 -13.1224 -13.1224 -11.8520 -11.8520 -11.7890 -11.7890 -11.6730 -11.6730 -11.5416 -11.5416 1.4194 1.4194 7.3898 7.3898 8.2525 8.2525 8.4380 8.4380 9.5944 9.5944 10.6063 10.6063 11.0137 11.0137 11.6064 11.6064 13.5869 13.5869 k = 0.2634-0.4024-0.7863 ( 2059 PWs) bands (ev): -32.0453 -32.0453 -32.0252 -32.0252 -13.1768 -13.1768 -13.1267 -13.1267 -11.8553 -11.8553 -11.7909 -11.7909 -11.6733 -11.6733 -11.5465 -11.5465 1.4267 1.4267 7.4157 7.4157 8.2336 8.2336 8.4465 8.4465 9.6175 9.6175 10.5719 10.5719 11.0596 11.0596 11.5714 11.5714 13.6265 13.6265 k = 0.2691-0.4111-0.8034 ( 2055 PWs) bands (ev): -32.0439 -32.0439 -32.0255 -32.0255 -13.1766 -13.1766 -13.1307 -13.1307 -11.8587 -11.8587 -11.7924 -11.7924 -11.6731 -11.6731 -11.5512 -11.5512 1.4332 1.4332 7.4417 7.4417 8.2105 8.2105 8.4566 8.4566 9.6415 9.6415 10.5410 10.5410 11.1052 11.1052 11.5409 11.5409 13.6588 13.6588 k = 0.2748-0.4199-0.8205 ( 2049 PWs) bands (ev): -32.0424 -32.0424 -32.0258 -32.0258 -13.1763 -13.1763 -13.1344 -13.1344 -11.8620 -11.8620 -11.7937 -11.7937 -11.6725 -11.6725 -11.5557 -11.5557 1.4391 1.4391 7.4677 7.4677 8.1842 8.1842 8.4670 8.4670 9.6662 9.6662 10.5136 10.5136 11.1484 11.1484 11.5170 11.5170 13.6814 13.6814 k = 0.2805-0.4286-0.8376 ( 2051 PWs) bands (ev): -32.0411 -32.0411 -32.0262 -32.0262 -13.1759 -13.1759 -13.1377 -13.1377 -11.8653 -11.8653 -11.7948 -11.7948 -11.6716 -11.6716 -11.5602 -11.5602 1.4444 1.4444 7.4936 7.4936 8.1554 8.1554 8.4772 8.4772 9.6914 9.6914 10.4896 10.4896 11.1861 11.1861 11.5025 11.5025 13.6919 13.6919 k = 0.2863-0.4374-0.8547 ( 2049 PWs) bands (ev): -32.0398 -32.0398 -32.0266 -32.0266 -13.1755 -13.1755 -13.1408 -13.1408 -11.8683 -11.8683 -11.7958 -11.7958 -11.6702 -11.6702 -11.5643 -11.5643 1.4490 1.4490 7.5194 7.5194 8.1243 8.1243 8.4868 8.4868 9.7167 9.7167 10.4691 10.4691 11.2144 11.2144 11.5011 11.5011 13.6887 13.6887 k = 0.2920-0.4461-0.8718 ( 2043 PWs) bands (ev): -32.0386 -32.0386 -32.0271 -32.0271 -13.1751 -13.1751 -13.1435 -13.1435 -11.8712 -11.8712 -11.7966 -11.7966 -11.6685 -11.6685 -11.5683 -11.5683 1.4531 1.4531 7.5451 7.5451 8.0912 8.0912 8.4958 8.4958 9.7418 9.7418 10.4521 10.4521 11.2306 11.2306 11.5155 11.5155 13.6716 13.6716 k = 0.2977-0.4549-0.8889 ( 2041 PWs) bands (ev): -32.0375 -32.0375 -32.0276 -32.0276 -13.1748 -13.1748 -13.1458 -13.1458 -11.8737 -11.8737 -11.7975 -11.7975 -11.6666 -11.6666 -11.5719 -11.5719 1.4565 1.4565 7.5706 7.5706 8.0562 8.0562 8.5040 8.5040 9.7663 9.7663 10.4384 10.4384 11.2352 11.2352 11.5448 11.5448 13.6420 13.6420 k = 0.3034-0.4636-0.9060 ( 2037 PWs) bands (ev): -32.0364 -32.0364 -32.0281 -32.0281 -13.1745 -13.1745 -13.1479 -13.1479 -11.8760 -11.8760 -11.7983 -11.7983 -11.6645 -11.6645 -11.5751 -11.5751 1.4593 1.4593 7.5960 7.5960 8.0193 8.0193 8.5115 8.5115 9.7898 9.7898 10.4279 10.4279 11.2320 11.2320 11.5849 11.5849 13.6023 13.6023 k = 0.3092-0.4724-0.9231 ( 2039 PWs) bands (ev): -32.0354 -32.0354 -32.0287 -32.0287 -13.1742 -13.1742 -13.1495 -13.1495 -11.8779 -11.8779 -11.7991 -11.7991 -11.6622 -11.6622 -11.5779 -11.5779 1.4615 1.4615 7.6213 7.6213 7.9806 7.9806 8.5182 8.5182 9.8119 9.8119 10.4202 10.4202 11.2250 11.2250 11.6316 11.6316 13.5555 13.5555 k = 0.3149-0.4811-0.9402 ( 2039 PWs) bands (ev): -32.0344 -32.0344 -32.0293 -32.0293 -13.1741 -13.1741 -13.1509 -13.1509 -11.8795 -11.8795 -11.7999 -11.7999 -11.6600 -11.6600 -11.5802 -11.5802 1.4632 1.4632 7.6466 7.6466 7.9402 7.9402 8.5243 8.5243 9.8323 9.8323 10.4149 10.4149 11.2168 11.2168 11.6820 11.6820 13.5045 13.5045 k = 0.3206-0.4899-0.9573 ( 2039 PWs) bands (ev): -32.0335 -32.0335 -32.0300 -32.0300 -13.1740 -13.1740 -13.1519 -13.1519 -11.8808 -11.8808 -11.8006 -11.8006 -11.6579 -11.6579 -11.5818 -11.5818 1.4643 1.4643 7.6718 7.6718 7.8982 7.8982 8.5296 8.5296 9.8508 9.8508 10.4115 10.4115 11.2091 11.2091 11.7340 11.7340 13.4520 13.4520 k = 0.3263-0.4986-0.9743 ( 2045 PWs) bands (ev): -32.0327 -32.0327 -32.0307 -32.0307 -13.1741 -13.1741 -13.1526 -13.1526 -11.8818 -11.8818 -11.8014 -11.8014 -11.6559 -11.6559 -11.5828 -11.5828 1.4648 1.4648 7.6970 7.6970 7.8549 7.8549 8.5343 8.5343 9.8671 9.8671 10.4093 10.4093 11.2028 11.2028 11.7867 11.7867 13.4002 13.4002 k = 0.3321-0.5074-0.9914 ( 2045 PWs) bands (ev): -32.0319 -32.0319 -32.0315 -32.0315 -13.1742 -13.1742 -13.1530 -13.1530 -11.8824 -11.8824 -11.8023 -11.8023 -11.6542 -11.6542 -11.5829 -11.5829 1.4648 1.4648 7.7214 7.7214 7.8110 7.8110 8.5385 8.5385 9.8812 9.8812 10.4074 10.4074 11.1981 11.1981 11.8392 11.8392 13.3511 13.3511 k = 0.3378-0.5161-1.0085 ( 2043 PWs) bands (ev): -32.0322 -32.0322 -32.0311 -32.0311 -13.1744 -13.1744 -13.1532 -13.1532 -11.8827 -11.8827 -11.8031 -11.8031 -11.6528 -11.6528 -11.5823 -11.5823 1.4643 1.4643 7.7372 7.7372 7.7748 7.7748 8.5420 8.5420 9.8932 9.8932 10.4051 10.4051 11.1954 11.1954 11.8912 11.8912 13.3063 13.3063 k = 0.3435-0.5249-1.0256 ( 2043 PWs) bands (ev): -32.0330 -32.0330 -32.0304 -32.0304 -13.1747 -13.1747 -13.1531 -13.1531 -11.8827 -11.8827 -11.8040 -11.8040 -11.6517 -11.6517 -11.5808 -11.5808 1.4633 1.4633 7.7070 7.7070 7.7839 7.7839 8.5450 8.5450 9.9030 9.9030 10.4013 10.4013 11.1946 11.1946 11.9427 11.9427 13.2673 13.2673 k = 0.6565-0.3758-0.9345 ( 2043 PWs) bands (ev): -32.0330 -32.0330 -32.0304 -32.0304 -13.1747 -13.1747 -13.1531 -13.1531 -11.8827 -11.8827 -11.8040 -11.8040 -11.6517 -11.6517 -11.5808 -11.5808 1.4633 1.4633 7.7070 7.7070 7.7839 7.7839 8.5450 8.5450 9.9030 9.9030 10.4013 10.4013 11.1946 11.1946 11.9427 11.9427 13.2673 13.2673 k = 0.6509-0.3570-0.9345 ( 2041 PWs) bands (ev): -32.0338 -32.0338 -32.0298 -32.0298 -13.1751 -13.1751 -13.1530 -13.1530 -11.8824 -11.8824 -11.8048 -11.8048 -11.6510 -11.6510 -11.5786 -11.5786 1.4618 1.4618 7.6610 7.6610 7.8087 7.8087 8.5474 8.5474 9.9105 9.9105 10.3955 10.3955 11.1954 11.1954 11.9925 11.9925 13.2358 13.2358 k = 0.6453-0.3383-0.9345 ( 2041 PWs) bands (ev): -32.0345 -32.0345 -32.0293 -32.0293 -13.1754 -13.1754 -13.1527 -13.1527 -11.8818 -11.8818 -11.8057 -11.8057 -11.6505 -11.6505 -11.5756 -11.5756 1.4599 1.4599 7.6125 7.6125 7.8359 7.8359 8.5493 8.5493 9.9161 9.9161 10.3868 10.3868 11.1978 11.1978 12.0419 12.0419 13.2116 13.2116 k = 0.6397-0.3195-0.9345 ( 2041 PWs) bands (ev): -32.0353 -32.0353 -32.0287 -32.0287 -13.1758 -13.1758 -13.1524 -13.1524 -11.8810 -11.8810 -11.8067 -11.8067 -11.6503 -11.6503 -11.5721 -11.5721 1.4576 1.4576 7.5630 7.5630 7.8643 7.8643 8.5507 8.5507 9.9200 9.9200 10.3747 10.3747 11.2014 11.2014 12.0913 12.0913 13.1954 13.1954 k = 0.6341-0.3008-0.9345 ( 2041 PWs) bands (ev): -32.0362 -32.0362 -32.0283 -32.0283 -13.1761 -13.1761 -13.1520 -13.1520 -11.8800 -11.8800 -11.8077 -11.8077 -11.6501 -11.6501 -11.5680 -11.5680 1.4549 1.4549 7.5127 7.5127 7.8938 7.8938 8.5518 8.5518 9.9220 9.9220 10.3587 10.3587 11.2060 11.2060 12.1411 12.1411 13.1875 13.1875 k = 0.6285-0.2820-0.9345 ( 2037 PWs) bands (ev): -32.0369 -32.0369 -32.0278 -32.0278 -13.1764 -13.1764 -13.1516 -13.1516 -11.8788 -11.8788 -11.8087 -11.8087 -11.6500 -11.6500 -11.5636 -11.5636 1.4518 1.4518 7.4622 7.4622 7.9243 7.9243 8.5524 8.5524 9.9224 9.9224 10.3388 10.3388 11.2114 11.2114 12.1916 12.1916 13.1880 13.1880 k = 0.6230-0.2633-0.9345 ( 2041 PWs) bands (ev): -32.0378 -32.0378 -32.0275 -32.0275 -13.1767 -13.1767 -13.1512 -13.1512 -11.8774 -11.8774 -11.8098 -11.8098 -11.6499 -11.6499 -11.5587 -11.5587 1.4483 1.4483 7.4114 7.4114 7.9560 7.9560 8.5526 8.5526 9.9210 9.9210 10.3148 10.3148 11.2173 11.2173 12.2434 12.2434 13.1967 13.1967 k = 0.6174-0.2446-0.9345 ( 2041 PWs) bands (ev): -32.0386 -32.0386 -32.0271 -32.0271 -13.1770 -13.1770 -13.1508 -13.1508 -11.8759 -11.8759 -11.8109 -11.8109 -11.6497 -11.6497 -11.5536 -11.5536 1.4446 1.4446 7.3609 7.3609 7.9887 7.9887 8.5524 8.5524 9.9180 9.9180 10.2870 10.2870 11.2235 11.2235 12.2967 12.2967 13.2134 13.2134 k = 0.6118-0.2258-0.9345 ( 2041 PWs) bands (ev): -32.0394 -32.0394 -32.0268 -32.0268 -13.1772 -13.1772 -13.1505 -13.1505 -11.8743 -11.8743 -11.8121 -11.8121 -11.6494 -11.6494 -11.5484 -11.5484 1.4406 1.4406 7.3107 7.3107 8.0226 8.0226 8.5519 8.5519 9.9132 9.9132 10.2556 10.2556 11.2299 11.2299 12.3521 12.3521 13.2375 13.2375 k = 0.6062-0.2071-0.9345 ( 2043 PWs) bands (ev): -32.0401 -32.0401 -32.0265 -32.0265 -13.1775 -13.1775 -13.1502 -13.1502 -11.8725 -11.8725 -11.8133 -11.8133 -11.6490 -11.6490 -11.5430 -11.5430 1.4364 1.4364 7.2612 7.2612 8.0575 8.0575 8.5511 8.5511 9.9067 9.9067 10.2212 10.2212 11.2363 11.2363 12.4098 12.4098 13.2684 13.2684 k = 0.6006-0.1883-0.9345 ( 2047 PWs) bands (ev): -32.0409 -32.0409 -32.0263 -32.0263 -13.1777 -13.1777 -13.1499 -13.1499 -11.8707 -11.8707 -11.8145 -11.8145 -11.6485 -11.6485 -11.5375 -11.5375 1.4320 1.4320 7.2126 7.2126 8.0936 8.0936 8.5500 8.5500 9.8984 9.8984 10.1843 10.1843 11.2426 11.2426 12.4701 12.4701 13.3055 13.3055 k = 0.5950-0.1696-0.9345 ( 2047 PWs) bands (ev): -32.0417 -32.0417 -32.0261 -32.0261 -13.1778 -13.1778 -13.1496 -13.1496 -11.8689 -11.8689 -11.8157 -11.8157 -11.6478 -11.6478 -11.5320 -11.5320 1.4274 1.4274 7.1651 7.1651 8.1307 8.1307 8.5486 8.5486 9.8882 9.8882 10.1456 10.1456 11.2487 11.2487 12.5331 12.5331 13.3479 13.3479 k = 0.5894-0.1508-0.9345 ( 2045 PWs) bands (ev): -32.0424 -32.0424 -32.0259 -32.0259 -13.1780 -13.1780 -13.1494 -13.1494 -11.8671 -11.8671 -11.8170 -11.8170 -11.6470 -11.6470 -11.5266 -11.5266 1.4228 1.4228 7.1190 7.1190 8.1688 8.1688 8.5471 8.5471 9.8758 9.8758 10.1058 10.1058 11.2546 11.2546 12.5989 12.5989 13.3949 13.3949 k = 0.5838-0.1321-0.9345 ( 2045 PWs) bands (ev): -32.0431 -32.0431 -32.0257 -32.0257 -13.1781 -13.1781 -13.1493 -13.1493 -11.8653 -11.8653 -11.8182 -11.8182 -11.6461 -11.6461 -11.5213 -11.5213 1.4181 1.4181 7.0744 7.0744 8.2078 8.2078 8.5454 8.5454 9.8612 9.8612 10.0658 10.0658 11.2601 11.2601 12.6675 12.6675 13.4456 13.4456 k = 0.5782-0.1133-0.9345 ( 2043 PWs) bands (ev): -32.0437 -32.0437 -32.0256 -32.0256 -13.1782 -13.1782 -13.1492 -13.1492 -11.8635 -11.8635 -11.8194 -11.8194 -11.6451 -11.6451 -11.5160 -11.5160 1.4134 1.4134 7.0317 7.0317 8.2474 8.2474 8.5436 8.5436 9.8438 9.8438 10.0266 10.0266 11.2654 11.2654 12.7387 12.7387 13.4993 13.4993 k = 0.5727-0.0946-0.9345 ( 2039 PWs) bands (ev): -32.0444 -32.0444 -32.0254 -32.0254 -13.1783 -13.1783 -13.1491 -13.1491 -11.8619 -11.8619 -11.8205 -11.8205 -11.6439 -11.6439 -11.5110 -11.5110 1.4087 1.4087 6.9910 6.9910 8.2877 8.2877 8.5418 8.5418 9.8231 9.8231 9.9892 9.9892 11.2705 11.2705 12.8123 12.8123 13.5552 13.5552 k = 0.5671-0.0759-0.9345 ( 2039 PWs) bands (ev): -32.0450 -32.0450 -32.0253 -32.0253 -13.1784 -13.1784 -13.1491 -13.1491 -11.8603 -11.8603 -11.8216 -11.8216 -11.6428 -11.6428 -11.5062 -11.5062 1.4042 1.4042 6.9525 6.9525 8.3282 8.3282 8.5401 8.5401 9.7987 9.7987 9.9549 9.9549 11.2752 11.2752 12.8881 12.8881 13.6124 13.6124 k = 0.5615-0.0571-0.9345 ( 2029 PWs) bands (ev): -32.0455 -32.0455 -32.0252 -32.0252 -13.1785 -13.1785 -13.1490 -13.1490 -11.8588 -11.8588 -11.8226 -11.8226 -11.6415 -11.6415 -11.5016 -11.5016 1.3998 1.3998 6.9164 6.9164 8.3687 8.3687 8.5387 8.5387 9.7703 9.7703 9.9244 9.9244 11.2796 11.2796 12.9655 12.9655 13.6702 13.6702 k = 0.5559-0.0384-0.9345 ( 2027 PWs) bands (ev): -32.0460 -32.0460 -32.0251 -32.0251 -13.1785 -13.1785 -13.1491 -13.1491 -11.8574 -11.8574 -11.8235 -11.8235 -11.6403 -11.6403 -11.4973 -11.4973 1.3956 1.3956 6.8828 6.8828 8.4085 8.4085 8.5379 8.5379 9.7383 9.7383 9.8980 9.8980 11.2837 11.2837 13.0442 13.0442 13.7277 13.7277 k = 0.5503-0.0196-0.9345 ( 2027 PWs) bands (ev): -32.0465 -32.0465 -32.0250 -32.0250 -13.1786 -13.1786 -13.1491 -13.1491 -11.8562 -11.8562 -11.8244 -11.8244 -11.6391 -11.6391 -11.4933 -11.4933 1.3917 1.3917 6.8520 6.8520 8.4466 8.4466 8.5384 8.5384 9.7035 9.7035 9.8756 9.8756 11.2875 11.2875 13.1232 13.1232 13.7841 13.7841 k = 0.5447-0.0009-0.9345 ( 2027 PWs) bands (ev): -32.0470 -32.0470 -32.0250 -32.0250 -13.1786 -13.1786 -13.1491 -13.1491 -11.8551 -11.8551 -11.8251 -11.8251 -11.6379 -11.6379 -11.4896 -11.4896 1.3880 1.3880 6.8240 6.8240 8.4803 8.4803 8.5426 8.5426 9.6674 9.6674 9.8564 9.8564 11.2910 11.2910 13.2018 13.2018 13.8385 13.8385 k = 0.5391 0.0179-0.9345 ( 2029 PWs) bands (ev): -32.0473 -32.0473 -32.0250 -32.0250 -13.1787 -13.1787 -13.1492 -13.1492 -11.8542 -11.8542 -11.8257 -11.8257 -11.6368 -11.6368 -11.4863 -11.4863 1.3847 1.3847 6.7990 6.7990 8.5031 8.5031 8.5563 8.5563 9.6312 9.6312 9.8399 9.8399 11.2941 11.2941 13.2789 13.2789 13.8900 13.8900 k = 0.5335 0.0366-0.9345 ( 2029 PWs) bands (ev): -32.0477 -32.0477 -32.0249 -32.0249 -13.1787 -13.1787 -13.1493 -13.1493 -11.8535 -11.8535 -11.8262 -11.8262 -11.6358 -11.6358 -11.4834 -11.4834 1.3817 1.3817 6.7771 6.7771 8.5122 8.5122 8.5819 8.5819 9.5961 9.5961 9.8259 9.8259 11.2969 11.2969 13.3529 13.3529 13.9378 13.9378 k = 0.5279 0.0554-0.9345 ( 2027 PWs) bands (ev): -32.0480 -32.0480 -32.0249 -32.0249 -13.1787 -13.1787 -13.1493 -13.1493 -11.8528 -11.8528 -11.8266 -11.8266 -11.6349 -11.6349 -11.4809 -11.4809 1.3792 1.3792 6.7583 6.7583 8.5149 8.5149 8.6113 8.6113 9.5634 9.5634 9.8141 9.8141 11.2993 11.2993 13.4222 13.4222 13.9806 13.9806 k = 0.5224 0.0741-0.9345 ( 2031 PWs) bands (ev): -32.0482 -32.0482 -32.0249 -32.0249 -13.1787 -13.1787 -13.1494 -13.1494 -11.8523 -11.8523 -11.8270 -11.8270 -11.6342 -11.6342 -11.4789 -11.4789 1.3770 1.3770 6.7429 6.7429 8.5155 8.5155 8.6391 8.6391 9.5341 9.5341 9.8044 9.8044 11.3013 11.3013 13.4844 13.4844 14.0175 14.0175 k = 0.5168 0.0928-0.9345 ( 2031 PWs) bands (ev): -32.0484 -32.0484 -32.0249 -32.0249 -13.1787 -13.1787 -13.1494 -13.1494 -11.8520 -11.8520 -11.8272 -11.8272 -11.6336 -11.6336 -11.4773 -11.4773 1.3753 1.3753 6.7309 6.7309 8.5155 8.5155 8.6629 8.6629 9.5095 9.5095 9.7968 9.7968 11.3029 11.3029 13.5372 13.5372 14.0476 14.0476 k = 0.5112 0.1116-0.9345 ( 2037 PWs) bands (ev): -32.0486 -32.0486 -32.0249 -32.0249 -13.1787 -13.1787 -13.1494 -13.1494 -11.8517 -11.8517 -11.8274 -11.8274 -11.6331 -11.6331 -11.4761 -11.4761 1.3741 1.3741 6.7222 6.7222 8.5153 8.5153 8.6812 8.6812 9.4909 9.4909 9.7913 9.7913 11.3041 11.3041 13.5777 13.5777 14.0699 14.0699 k = 0.5056 0.1303-0.9345 ( 2032 PWs) bands (ev): -32.0486 -32.0486 -32.0249 -32.0249 -13.1787 -13.1787 -13.1495 -13.1495 -11.8515 -11.8515 -11.8275 -11.8275 -11.6328 -11.6328 -11.4754 -11.4754 1.3734 1.3734 6.7170 6.7170 8.5151 8.5151 8.6927 8.6927 9.4792 9.4792 9.7880 9.7880 11.3048 11.3048 13.6033 13.6033 14.0836 14.0836 k = 0.5000 0.1491-0.9345 ( 2036 PWs) bands (ev): -32.0487 -32.0487 -32.0249 -32.0249 -13.1788 -13.1788 -13.1495 -13.1495 -11.8515 -11.8515 -11.8275 -11.8275 -11.6327 -11.6327 -11.4752 -11.4752 1.3731 1.3731 6.7153 6.7153 8.5150 8.5150 8.6966 8.6966 9.4752 9.4752 9.7869 9.7869 11.3050 11.3050 13.6121 13.6121 14.0882 14.0882 k = 0.5000 0.1491-0.9345 ( 2036 PWs) bands (ev): -32.0487 -32.0487 -32.0249 -32.0249 -13.1788 -13.1788 -13.1495 -13.1495 -11.8515 -11.8515 -11.8275 -11.8275 -11.6327 -11.6327 -11.4752 -11.4752 1.3731 1.3731 6.7153 6.7153 8.5150 8.5150 8.6966 8.6966 9.4752 9.4752 9.7869 9.7869 11.3050 11.3050 13.6121 13.6121 14.0882 14.0882 k = 0.5156 0.1537-0.9253 ( 2032 PWs) bands (ev): -32.0487 -32.0487 -32.0249 -32.0249 -13.1787 -13.1787 -13.1495 -13.1495 -11.8514 -11.8514 -11.8275 -11.8275 -11.6327 -11.6327 -11.4753 -11.4753 1.3731 1.3731 6.7165 6.7165 8.5146 8.5146 8.6969 8.6969 9.4761 9.4761 9.7862 9.7862 11.3023 11.3023 13.6119 13.6119 14.0877 14.0878 k = 0.5313 0.1584-0.9162 ( 2032 PWs) bands (ev): -32.0486 -32.0486 -32.0249 -32.0249 -13.1784 -13.1784 -13.1494 -13.1494 -11.8510 -11.8510 -11.8275 -11.8275 -11.6327 -11.6327 -11.4758 -11.4758 1.3732 1.3732 6.7201 6.7201 8.5132 8.5132 8.6977 8.6977 9.4788 9.4788 9.7838 9.7838 11.2943 11.2943 13.6112 13.6112 14.0864 14.0864 k = 0.5469 0.1631-0.9071 ( 2030 PWs) bands (ev): -32.0486 -32.0486 -32.0250 -32.0250 -13.1780 -13.1780 -13.1494 -13.1494 -11.8504 -11.8504 -11.8276 -11.8276 -11.6325 -11.6325 -11.4767 -11.4767 1.3733 1.3733 6.7260 6.7260 8.5109 8.5109 8.6991 8.6991 9.4833 9.4833 9.7799 9.7799 11.2811 11.2811 13.6101 13.6101 14.0842 14.0842 k = 0.5626 0.1677-0.8980 ( 2028 PWs) bands (ev): -32.0485 -32.0485 -32.0251 -32.0251 -13.1775 -13.1775 -13.1494 -13.1494 -11.8496 -11.8496 -11.8276 -11.8276 -11.6324 -11.6324 -11.4779 -11.4779 1.3734 1.3734 6.7344 6.7344 8.5078 8.5078 8.7010 8.7010 9.4896 9.4896 9.7743 9.7743 11.2632 11.2632 13.6084 13.6084 14.0810 14.0810 k = 0.5782 0.1724-0.8889 ( 2028 PWs) bands (ev): -32.0484 -32.0484 -32.0253 -32.0253 -13.1768 -13.1768 -13.1493 -13.1493 -11.8486 -11.8486 -11.8277 -11.8277 -11.6321 -11.6321 -11.4794 -11.4794 1.3736 1.3736 6.7449 6.7449 8.5038 8.5038 8.7034 8.7034 9.4977 9.4977 9.7670 9.7670 11.2409 11.2409 13.6059 13.6059 14.0768 14.0768 k = 0.5939 0.1771-0.8797 ( 2029 PWs) bands (ev): -32.0483 -32.0483 -32.0255 -32.0255 -13.1760 -13.1760 -13.1492 -13.1492 -11.8474 -11.8474 -11.8278 -11.8278 -11.6319 -11.6319 -11.4811 -11.4811 1.3737 1.3737 6.7577 6.7577 8.4990 8.4990 8.7063 8.7063 9.5074 9.5074 9.7578 9.7578 11.2150 11.2150 13.6025 13.6025 14.0715 14.0715 k = 0.6095 0.1817-0.8706 ( 2027 PWs) bands (ev): -32.0481 -32.0481 -32.0258 -32.0258 -13.1750 -13.1750 -13.1490 -13.1490 -11.8460 -11.8460 -11.8278 -11.8278 -11.6316 -11.6316 -11.4832 -11.4832 1.3739 1.3739 6.7725 6.7725 8.4936 8.4936 8.7096 8.7096 9.5186 9.5186 9.7468 9.7468 11.1859 11.1859 13.5979 13.5979 14.0651 14.0651 k = 0.6252 0.1864-0.8615 ( 2023 PWs) bands (ev): -32.0480 -32.0480 -32.0260 -32.0260 -13.1740 -13.1740 -13.1489 -13.1489 -11.8445 -11.8445 -11.8278 -11.8278 -11.6312 -11.6312 -11.4856 -11.4856 1.3741 1.3741 6.7893 6.7893 8.4875 8.4875 8.7134 8.7134 9.5314 9.5314 9.7338 9.7338 11.1545 11.1545 13.5920 13.5920 14.0574 14.0574 k = 0.6408 0.1911-0.8524 ( 2024 PWs) bands (ev): -32.0478 -32.0478 -32.0263 -32.0263 -13.1729 -13.1729 -13.1486 -13.1486 -11.8429 -11.8429 -11.8277 -11.8277 -11.6308 -11.6308 -11.4881 -11.4881 1.3743 1.3743 6.8079 6.8079 8.4808 8.4808 8.7177 8.7177 9.5456 9.5456 9.7188 9.7188 11.1216 11.1216 13.5846 13.5846 14.0483 14.0483 k = 0.6565 0.1957-0.8433 ( 2022 PWs) bands (ev): -32.0477 -32.0477 -32.0266 -32.0266 -13.1717 -13.1717 -13.1483 -13.1483 -11.8413 -11.8413 -11.8275 -11.8275 -11.6304 -11.6304 -11.4909 -11.4909 1.3744 1.3744 6.8282 6.8282 8.4736 8.4736 8.7222 8.7222 9.5610 9.5610 9.7018 9.7018 11.0878 11.0878 13.5754 13.5754 14.0377 14.0377 k = 0.6565 0.1957-0.8433 ( 2022 PWs) bands (ev): -32.0477 -32.0477 -32.0266 -32.0266 -13.1717 -13.1717 -13.1483 -13.1483 -11.8413 -11.8413 -11.8275 -11.8275 -11.6304 -11.6304 -11.4909 -11.4909 1.3744 1.3744 6.8282 6.8282 8.4736 8.4736 8.7222 8.7222 9.5610 9.5610 9.7018 9.7018 11.0878 11.0878 13.5754 13.5754 14.0377 14.0377 k = 0.6532 0.1947-0.8234 ( 2024 PWs) bands (ev): -32.0479 -32.0479 -32.0269 -32.0269 -13.1710 -13.1710 -13.1466 -13.1466 -11.8408 -11.8408 -11.8253 -11.8253 -11.6285 -11.6285 -11.4917 -11.4917 1.3719 1.3719 6.8392 6.8392 8.4683 8.4683 8.7231 8.7231 9.5653 9.5653 9.6747 9.6747 11.0728 11.0728 13.5681 13.5681 14.0538 14.0538 k = 0.6498 0.1938-0.8035 ( 2026 PWs) bands (ev): -32.0483 -32.0483 -32.0272 -32.0272 -13.1704 -13.1704 -13.1442 -13.1442 -11.8404 -11.8404 -11.8222 -11.8222 -11.6265 -11.6265 -11.4924 -11.4924 1.3688 1.3688 6.8506 6.8506 8.4609 8.4609 8.7244 8.7244 9.5639 9.5639 9.6538 9.6538 11.0596 11.0596 13.5556 13.5556 14.0614 14.0614 k = 0.6465 0.1928-0.7836 ( 2030 PWs) bands (ev): -32.0489 -32.0489 -32.0276 -32.0276 -13.1697 -13.1697 -13.1411 -13.1411 -11.8401 -11.8401 -11.8184 -11.8184 -11.6244 -11.6244 -11.4930 -11.4930 1.3650 1.3650 6.8624 6.8624 8.4509 8.4509 8.7260 8.7260 9.5504 9.5504 9.6461 9.6461 11.0481 11.0481 13.5382 13.5382 14.0598 14.0598 k = 0.6432 0.1918-0.7638 ( 2031 PWs) bands (ev): -32.0496 -32.0496 -32.0280 -32.0280 -13.1689 -13.1689 -13.1375 -13.1375 -11.8395 -11.8395 -11.8140 -11.8140 -11.6222 -11.6222 -11.4934 -11.4934 1.3605 1.3605 6.8747 6.8747 8.4381 8.4381 8.7281 8.7281 9.5252 9.5252 9.6518 9.6518 11.0383 11.0383 13.5165 13.5165 14.0488 14.0488 k = 0.6398 0.1908-0.7439 ( 2035 PWs) bands (ev): -32.0504 -32.0504 -32.0284 -32.0284 -13.1679 -13.1679 -13.1334 -13.1334 -11.8387 -11.8387 -11.8092 -11.8092 -11.6200 -11.6200 -11.4937 -11.4937 1.3553 1.3553 6.8875 6.8875 8.4221 8.4221 8.7304 8.7304 9.4945 9.4945 9.6654 9.6654 11.0301 11.0301 13.4909 13.4909 14.0284 14.0284 k = 0.6365 0.1898-0.7240 ( 2039 PWs) bands (ev): -32.0513 -32.0513 -32.0288 -32.0288 -13.1668 -13.1668 -13.1290 -13.1290 -11.8376 -11.8376 -11.8038 -11.8038 -11.6176 -11.6176 -11.4939 -11.4939 1.3495 1.3495 6.9006 6.9006 8.4024 8.4024 8.7330 8.7330 9.4624 9.4624 9.6838 9.6838 11.0233 11.0233 13.4621 13.4621 13.9994 13.9994 k = 0.6332 0.1888-0.7041 ( 2046 PWs) bands (ev): -32.0524 -32.0524 -32.0292 -32.0292 -13.1655 -13.1655 -13.1241 -13.1241 -11.8362 -11.8362 -11.7981 -11.7981 -11.6151 -11.6151 -11.4940 -11.4940 1.3430 1.3430 6.9140 6.9140 8.3788 8.3788 8.7359 8.7359 9.4311 9.4311 9.7057 9.7057 11.0178 11.0178 13.4305 13.4305 13.9629 13.9629 k = 0.6299 0.1878-0.6842 ( 2048 PWs) bands (ev): -32.0535 -32.0535 -32.0297 -32.0297 -13.1639 -13.1639 -13.1190 -13.1190 -11.8345 -11.8345 -11.7919 -11.7919 -11.6125 -11.6125 -11.4940 -11.4940 1.3357 1.3357 6.9277 6.9277 8.3509 8.3509 8.7390 8.7390 9.4018 9.4018 9.7305 9.7305 11.0136 11.0136 13.3967 13.3967 13.9201 13.9201 k = 0.6265 0.1868-0.6643 ( 2048 PWs) bands (ev): -32.0548 -32.0548 -32.0301 -32.0301 -13.1622 -13.1622 -13.1135 -13.1135 -11.8326 -11.8326 -11.7854 -11.7854 -11.6097 -11.6097 -11.4938 -11.4938 1.3278 1.3278 6.9414 6.9414 8.3187 8.3187 8.7422 8.7422 9.3754 9.3754 9.7580 9.7580 11.0105 11.0105 13.3612 13.3612 13.8725 13.8725 k = 0.6232 0.1858-0.6445 ( 2052 PWs) bands (ev): -32.0561 -32.0561 -32.0307 -32.0307 -13.1603 -13.1603 -13.1078 -13.1078 -11.8304 -11.8304 -11.7785 -11.7785 -11.6069 -11.6069 -11.4936 -11.4936 1.3192 1.3192 6.9550 6.9550 8.2824 8.2824 8.7456 8.7456 9.3524 9.3524 9.7882 9.7882 11.0085 11.0085 13.3245 13.3245 13.8214 13.8214 k = 0.6199 0.1848-0.6246 ( 2054 PWs) bands (ev): -32.0575 -32.0575 -32.0312 -32.0312 -13.1581 -13.1581 -13.1019 -13.1019 -11.8280 -11.8280 -11.7713 -11.7713 -11.6038 -11.6038 -11.4932 -11.4932 1.3099 1.3099 6.9683 6.9683 8.2424 8.2424 8.7490 8.7490 9.3331 9.3331 9.8210 9.8210 11.0075 11.0075 13.2868 13.2868 13.7679 13.7679 k = 0.6165 0.1838-0.6047 ( 2044 PWs) bands (ev): -32.0589 -32.0589 -32.0318 -32.0318 -13.1558 -13.1558 -13.0958 -13.0958 -11.8253 -11.8253 -11.7638 -11.7638 -11.6006 -11.6006 -11.4928 -11.4928 1.2999 1.2999 6.9809 6.9809 8.1993 8.1993 8.7524 8.7524 9.3175 9.3175 9.8565 9.8565 11.0075 11.0075 13.2487 13.2487 13.7132 13.7133 k = 0.6132 0.1828-0.5848 ( 2046 PWs) bands (ev): -32.0605 -32.0605 -32.0324 -32.0324 -13.1534 -13.1534 -13.0895 -13.0895 -11.8224 -11.8224 -11.7561 -11.7561 -11.5972 -11.5972 -11.4922 -11.4922 1.2891 1.2891 6.9922 6.9922 8.1542 8.1542 8.7557 8.7557 9.3053 9.3053 9.8947 9.8947 11.0086 11.0086 13.2104 13.2104 13.6581 13.6581 k = 0.6099 0.1818-0.5649 ( 2043 PWs) bands (ev): -32.0621 -32.0621 -32.0330 -32.0330 -13.1508 -13.1508 -13.0831 -13.0831 -11.8194 -11.8194 -11.7480 -11.7480 -11.5937 -11.5937 -11.4916 -11.4916 1.2777 1.2777 7.0018 7.0018 8.1081 8.1081 8.7589 8.7589 9.2964 9.2964 9.9356 9.9356 11.0106 11.0106 13.1724 13.1724 13.6032 13.6032 k = 0.6065 0.1808-0.5450 ( 2043 PWs) bands (ev): -32.0637 -32.0637 -32.0337 -32.0337 -13.1480 -13.1480 -13.0765 -13.0765 -11.8162 -11.8162 -11.7397 -11.7397 -11.5899 -11.5899 -11.4909 -11.4909 1.2656 1.2656 7.0089 7.0089 8.0625 8.0625 8.7618 8.7618 9.2904 9.2904 9.9793 9.9793 11.0137 11.0137 13.1349 13.1349 13.5492 13.5492 k = 0.6032 0.1799-0.5252 ( 2043 PWs) bands (ev): -32.0654 -32.0654 -32.0344 -32.0344 -13.1452 -13.1452 -13.0699 -13.0699 -11.8129 -11.8129 -11.7312 -11.7312 -11.5859 -11.5859 -11.4902 -11.4902 1.2529 1.2529 7.0125 7.0125 8.0189 8.0189 8.7646 8.7646 9.2866 9.2866 10.0258 10.0258 11.0179 11.0179 13.0983 13.0983 13.4963 13.4963 k = 0.5999 0.1789-0.5053 ( 2041 PWs) bands (ev): -32.0670 -32.0670 -32.0352 -32.0352 -13.1423 -13.1423 -13.0632 -13.0632 -11.8095 -11.8095 -11.7225 -11.7225 -11.5817 -11.5817 -11.4894 -11.4894 1.2395 1.2395 7.0117 7.0117 7.9792 7.9792 8.7670 8.7670 9.2849 9.2849 10.0752 10.0752 11.0230 11.0230 13.0629 13.0629 13.4450 13.4450 k = 0.5966 0.1779-0.4854 ( 2043 PWs) bands (ev): -32.0688 -32.0688 -32.0359 -32.0359 -13.1393 -13.1393 -13.0564 -13.0564 -11.8060 -11.8060 -11.7136 -11.7136 -11.5773 -11.5773 -11.4885 -11.4885 1.2256 1.2256 7.0054 7.0054 7.9448 7.9448 8.7691 8.7691 9.2846 9.2846 10.1274 10.1274 11.0292 11.0292 13.0291 13.0291 13.3955 13.3955 k = 0.5932 0.1769-0.4655 ( 2041 PWs) bands (ev): -32.0705 -32.0705 -32.0367 -32.0367 -13.1362 -13.1362 -13.0497 -13.0497 -11.8025 -11.8025 -11.7045 -11.7045 -11.5726 -11.5726 -11.4876 -11.4876 1.2110 1.2110 6.9926 6.9926 7.9175 7.9175 8.7707 8.7707 9.2855 9.2855 10.1825 10.1825 11.0363 11.0363 12.9972 12.9972 13.3476 13.3476 k = 0.5899 0.1759-0.4456 ( 2037 PWs) bands (ev): -32.0722 -32.0722 -32.0375 -32.0375 -13.1331 -13.1331 -13.0429 -13.0429 -11.7989 -11.7989 -11.6954 -11.6954 -11.5678 -11.5678 -11.4866 -11.4866 1.1960 1.1960 6.9727 6.9727 7.8984 7.8984 8.7719 8.7719 9.2871 9.2871 10.2403 10.2403 11.0443 11.0443 12.9676 12.9676 13.3012 13.3012 k = 0.5866 0.1749-0.4258 ( 2033 PWs) bands (ev): -32.0740 -32.0740 -32.0383 -32.0383 -13.1300 -13.1300 -13.0362 -13.0362 -11.7954 -11.7954 -11.6861 -11.6861 -11.5627 -11.5627 -11.4856 -11.4856 1.1805 1.1805 6.9454 6.9454 7.8882 7.8882 8.7726 8.7726 9.2894 9.2894 10.3008 10.3008 11.0530 11.0530 12.9406 12.9406 13.2558 13.2558 k = 0.5832 0.1739-0.4059 ( 2035 PWs) bands (ev): -32.0757 -32.0757 -32.0392 -32.0392 -13.1269 -13.1269 -13.0296 -13.0296 -11.7919 -11.7919 -11.6769 -11.6769 -11.5575 -11.5575 -11.4846 -11.4846 1.1646 1.1646 6.9110 6.9110 7.8870 7.8870 8.7728 8.7728 9.2919 9.2919 10.3640 10.3640 11.0624 11.0624 12.9167 12.9167 13.2107 13.2107 k = 0.5799 0.1729-0.3860 ( 2033 PWs) bands (ev): -32.0775 -32.0775 -32.0400 -32.0400 -13.1239 -13.1239 -13.0230 -13.0230 -11.7884 -11.7884 -11.6675 -11.6675 -11.5520 -11.5520 -11.4835 -11.4835 1.1484 1.1484 6.8703 6.8703 7.8944 7.8944 8.7724 8.7724 9.2946 9.2946 10.4295 10.4295 11.0724 11.0724 12.8961 12.8961 13.1648 13.1648 k = 0.5766 0.1719-0.3661 ( 2023 PWs) bands (ev): -32.0791 -32.0791 -32.0408 -32.0408 -13.1208 -13.1208 -13.0166 -13.0166 -11.7850 -11.7850 -11.6582 -11.6582 -11.5464 -11.5464 -11.4825 -11.4825 1.1320 1.1320 6.8244 6.8244 7.9096 7.9096 8.7714 8.7714 9.2974 9.2974 10.4970 10.4970 11.0830 11.0830 12.8792 12.8792 13.1167 13.1167 k = 0.5732 0.1709-0.3462 ( 2023 PWs) bands (ev): -32.0808 -32.0808 -32.0416 -32.0416 -13.1178 -13.1178 -13.0103 -13.0103 -11.7817 -11.7817 -11.6489 -11.6489 -11.5408 -11.5408 -11.4813 -11.4813 1.1153 1.1153 6.7743 6.7743 7.9317 7.9317 8.7699 8.7699 9.3001 9.3001 10.5662 10.5662 11.0941 11.0941 12.8665 12.8665 13.0655 13.0655 k = 0.5699 0.1699-0.3263 ( 2024 PWs) bands (ev): -32.0825 -32.0825 -32.0425 -32.0425 -13.1149 -13.1149 -13.0041 -13.0041 -11.7784 -11.7784 -11.6397 -11.6397 -11.5350 -11.5350 -11.4802 -11.4802 1.0985 1.0985 6.7213 6.7213 7.9597 7.9597 8.7679 8.7679 9.3027 9.3027 10.6363 10.6363 11.1062 11.1062 12.8580 12.8580 13.0112 13.0112 k = 0.5666 0.1689-0.3065 ( 2026 PWs) bands (ev): -32.0841 -32.0841 -32.0433 -32.0433 -13.1120 -13.1120 -12.9981 -12.9981 -11.7753 -11.7753 -11.6306 -11.6306 -11.5292 -11.5292 -11.4790 -11.4790 1.0816 1.0816 6.6664 6.6664 7.9927 7.9927 8.7653 8.7653 9.3053 9.3053 10.7062 10.7062 11.1198 11.1198 12.8539 12.8539 12.9547 12.9547 k = 0.5633 0.1679-0.2866 ( 2024 PWs) bands (ev): -32.0857 -32.0857 -32.0442 -32.0442 -13.1093 -13.1093 -12.9923 -12.9923 -11.7723 -11.7723 -11.6216 -11.6216 -11.5234 -11.5234 -11.4777 -11.4777 1.0648 1.0648 6.6107 6.6107 8.0297 8.0297 8.7622 8.7622 9.3077 9.3077 10.7741 10.7741 11.1364 11.1364 12.8525 12.8525 12.8992 12.8992 k = 0.5599 0.1669-0.2667 ( 2026 PWs) bands (ev): -32.0873 -32.0873 -32.0450 -32.0450 -13.1066 -13.1066 -12.9866 -12.9866 -11.7694 -11.7694 -11.6128 -11.6128 -11.5177 -11.5177 -11.4764 -11.4764 1.0482 1.0482 6.5548 6.5548 8.0702 8.0702 8.7587 8.7587 9.3101 9.3101 10.8373 10.8373 11.1583 11.1583 12.8290 12.8290 12.8709 12.8709 k = 0.5566 0.1660-0.2468 ( 2024 PWs) bands (ev): -32.0888 -32.0888 -32.0458 -32.0458 -13.1040 -13.1040 -12.9812 -12.9812 -11.7667 -11.7667 -11.6042 -11.6042 -11.5122 -11.5122 -11.4749 -11.4749 1.0318 1.0318 6.4994 6.4994 8.1132 8.1132 8.7548 8.7548 9.3124 9.3124 10.8916 10.8916 11.1892 11.1892 12.7750 12.7750 12.8793 12.8794 k = 0.5533 0.1650-0.2269 ( 2020 PWs) bands (ev): -32.0902 -32.0902 -32.0465 -32.0465 -13.1015 -13.1015 -12.9761 -12.9761 -11.7641 -11.7641 -11.5958 -11.5958 -11.5070 -11.5070 -11.4733 -11.4733 1.0157 1.0157 6.4452 6.4452 8.1584 8.1584 8.7505 8.7505 9.3147 9.3147 10.9331 10.9331 11.2327 11.2327 12.7196 12.7196 12.8963 12.8963 k = 0.5499 0.1640-0.2071 ( 2020 PWs) bands (ev): -32.0916 -32.0916 -32.0473 -32.0473 -13.0992 -13.0992 -12.9712 -12.9712 -11.7616 -11.7616 -11.5876 -11.5876 -11.5021 -11.5021 -11.4715 -11.4715 1.0000 1.0000 6.3925 6.3925 8.2049 8.2049 8.7460 8.7460 9.3170 9.3170 10.9604 10.9604 11.2900 11.2900 12.6658 12.6658 12.9192 12.9192 k = 0.5466 0.1630-0.1872 ( 2022 PWs) bands (ev): -32.0929 -32.0929 -32.0480 -32.0480 -13.0970 -13.0970 -12.9665 -12.9665 -11.7593 -11.7593 -11.5797 -11.5797 -11.4978 -11.4978 -11.4694 -11.4694 0.9848 0.9848 6.3419 6.3419 8.2522 8.2522 8.7412 8.7412 9.3193 9.3193 10.9755 10.9755 11.3587 11.3587 12.6144 12.6144 12.9476 12.9476 k = 0.5433 0.1620-0.1673 ( 2027 PWs) bands (ev): -32.0941 -32.0941 -32.0487 -32.0487 -13.0949 -13.0949 -12.9622 -12.9622 -11.7572 -11.7572 -11.5722 -11.5722 -11.4940 -11.4940 -11.4669 -11.4669 0.9702 0.9702 6.2936 6.2936 8.2999 8.2999 8.7364 8.7364 9.3218 9.3218 10.9816 10.9816 11.4353 11.4353 12.5658 12.5658 12.9813 12.9813 k = 0.5400 0.1610-0.1474 ( 2023 PWs) bands (ev): -32.0953 -32.0953 -32.0493 -32.0493 -13.0930 -13.0930 -12.9581 -12.9581 -11.7552 -11.7552 -11.5650 -11.5650 -11.4909 -11.4909 -11.4641 -11.4641 0.9563 0.9563 6.2479 6.2479 8.3473 8.3473 8.7314 8.7314 9.3243 9.3243 10.9814 10.9814 11.5168 11.5168 12.5202 12.5202 13.0200 13.0200 k = 0.5366 0.1600-0.1275 ( 2022 PWs) bands (ev): -32.0964 -32.0964 -32.0499 -32.0499 -13.0912 -13.0912 -12.9543 -12.9543 -11.7533 -11.7533 -11.5582 -11.5582 -11.4885 -11.4885 -11.4609 -11.4609 0.9432 0.9432 6.2051 6.2051 8.3938 8.3938 8.7265 8.7265 9.3269 9.3269 10.9770 10.9770 11.6008 11.6008 12.4779 12.4779 13.0636 13.0636 k = 0.5333 0.1590-0.1076 ( 2023 PWs) bands (ev): -32.0974 -32.0974 -32.0505 -32.0505 -13.0895 -13.0895 -12.9508 -12.9508 -11.7517 -11.7517 -11.5518 -11.5518 -11.4866 -11.4866 -11.4576 -11.4576 0.9309 0.9309 6.1654 6.1654 8.4390 8.4390 8.7217 8.7217 9.3297 9.3297 10.9696 10.9696 11.6857 11.6857 12.4389 12.4389 13.1115 13.1115 k = 0.5300 0.1580-0.0878 ( 2021 PWs) bands (ev): -32.0983 -32.0983 -32.0510 -32.0510 -13.0880 -13.0880 -12.9476 -12.9476 -11.7501 -11.7501 -11.5458 -11.5458 -11.4853 -11.4853 -11.4543 -11.4543 0.9195 0.9195 6.1290 6.1290 8.4821 8.4821 8.7171 8.7171 9.3325 9.3325 10.9602 10.9602 11.7700 11.7700 12.4035 12.4035 13.1637 13.1637 k = 0.5266 0.1570-0.0679 ( 2019 PWs) bands (ev): -32.0991 -32.0991 -32.0515 -32.0515 -13.0867 -13.0867 -12.9447 -12.9447 -11.7488 -11.7488 -11.5403 -11.5403 -11.4843 -11.4843 -11.4510 -11.4510 0.9092 0.9092 6.0960 6.0960 8.5227 8.5227 8.7128 8.7128 9.3355 9.3355 10.9497 10.9497 11.8522 11.8522 12.3717 12.3717 13.2196 13.2196 k = 0.5233 0.1560-0.0480 ( 2024 PWs) bands (ev): -32.0999 -32.0999 -32.0519 -32.0519 -13.0855 -13.0855 -12.9422 -12.9422 -11.7475 -11.7475 -11.5353 -11.5353 -11.4836 -11.4836 -11.4479 -11.4479 0.8998 0.8998 6.0666 6.0666 8.5602 8.5602 8.7087 8.7087 9.3384 9.3384 10.9386 10.9386 11.9308 11.9308 12.3437 12.3437 13.2789 13.2789 k = 0.5200 0.1550-0.0281 ( 2024 PWs) bands (ev): -32.1005 -32.1005 -32.0523 -32.0523 -13.0844 -13.0844 -12.9400 -12.9400 -11.7465 -11.7465 -11.5309 -11.5309 -11.4832 -11.4832 -11.4450 -11.4450 0.8916 0.8916 6.0409 6.0409 8.5940 8.5940 8.7051 8.7051 9.3413 9.3413 10.9276 10.9276 12.0043 12.0043 12.3197 12.3197 13.3411 13.3411 k = 0.5166 0.1540-0.0082 ( 2022 PWs) bands (ev): -32.1011 -32.1011 -32.0526 -32.0526 -13.0836 -13.0836 -12.9381 -12.9381 -11.7456 -11.7456 -11.5270 -11.5270 -11.4830 -11.4830 -11.4425 -11.4425 0.8846 0.8846 6.0190 6.0190 8.6235 8.6235 8.7019 8.7019 9.3440 9.3440 10.9172 10.9172 12.0705 12.0705 12.2998 12.2998 13.4055 13.4055 k = 0.5133 0.1530 0.0116 ( 2014 PWs) bands (ev): -32.1015 -32.1015 -32.0528 -32.0528 -13.0828 -13.0828 -12.9366 -12.9366 -11.7449 -11.7449 -11.5237 -11.5237 -11.4829 -11.4829 -11.4404 -11.4404 0.8788 0.8788 6.0010 6.0010 8.6484 8.6484 8.6993 8.6993 9.3465 9.3465 10.9080 10.9080 12.1273 12.1273 12.2847 12.2847 13.4708 13.4708 k = 0.5100 0.1521 0.0315 ( 2016 PWs) bands (ev): -32.1019 -32.1019 -32.0530 -32.0530 -13.0823 -13.0823 -12.9354 -12.9354 -11.7443 -11.7443 -11.5211 -11.5211 -11.4830 -11.4830 -11.4388 -11.4388 0.8742 0.8742 5.9869 5.9869 8.6682 8.6682 8.6972 8.6972 9.3486 9.3486 10.9003 10.9003 12.1718 12.1718 12.2751 12.2751 13.5344 13.5344 k = 0.5067 0.1511 0.0514 ( 2020 PWs) bands (ev): -32.1021 -32.1021 -32.0532 -32.0532 -13.0819 -13.0819 -12.9345 -12.9345 -11.7439 -11.7439 -11.5192 -11.5192 -11.4830 -11.4830 -11.4376 -11.4376 0.8710 0.8710 5.9768 5.9768 8.6825 8.6825 8.6958 8.6958 9.3502 9.3502 10.8945 10.8945 12.2007 12.2007 12.2727 12.2727 13.5904 13.5904 k = 0.5033 0.1501 0.0713 ( 2020 PWs) bands (ev): -32.1023 -32.1023 -32.0533 -32.0533 -13.0816 -13.0816 -12.9340 -12.9340 -11.7437 -11.7437 -11.5180 -11.5180 -11.4831 -11.4831 -11.4368 -11.4368 0.8690 0.8690 5.9707 5.9707 8.6908 8.6908 8.6953 8.6953 9.3512 9.3512 10.8909 10.8909 12.2138 12.2138 12.2762 12.2762 13.6290 13.6290 k = 0.5000 0.1491 0.0912 ( 2022 PWs) bands (ev): -32.1023 -32.1023 -32.0533 -32.0533 -13.0815 -13.0815 -12.9338 -12.9338 -11.7436 -11.7436 -11.5176 -11.5176 -11.4831 -11.4831 -11.4366 -11.4366 0.8683 0.8683 5.9687 5.9687 8.6928 8.6928 8.6958 8.6958 9.3515 9.3515 10.8897 10.8897 12.2170 12.2170 12.2787 12.2787 13.6427 13.6427 k = 0.5000-0.7639-0.4672 ( 2036 PWs) bands (ev): -32.0448 -32.0448 -32.0288 -32.0288 -13.1592 -13.1592 -13.1485 -13.1485 -11.8292 -11.8292 -11.8195 -11.8195 -11.6382 -11.6382 -11.5325 -11.5325 1.3925 1.3925 7.0865 7.0865 8.3827 8.3827 8.8051 8.8051 9.6621 9.6621 9.7749 9.7749 10.7781 10.7781 13.3099 13.3099 13.5408 13.5408 k = 0.5174-0.7557-0.4622 ( 2042 PWs) bands (ev): -32.0448 -32.0448 -32.0288 -32.0288 -13.1592 -13.1592 -13.1485 -13.1485 -11.8293 -11.8293 -11.8196 -11.8196 -11.6382 -11.6382 -11.5323 -11.5323 1.3924 1.3924 7.0853 7.0853 8.3831 8.3831 8.8047 8.8047 9.6622 9.6622 9.7740 9.7740 10.7789 10.7789 13.3116 13.3116 13.5431 13.5431 k = 0.5348-0.7474-0.4571 ( 2042 PWs) bands (ev): -32.0449 -32.0449 -32.0288 -32.0288 -13.1594 -13.1594 -13.1485 -13.1485 -11.8293 -11.8293 -11.8198 -11.8198 -11.6381 -11.6381 -11.5317 -11.5317 1.3922 1.3922 7.0817 7.0817 8.3842 8.3842 8.8034 8.8034 9.6626 9.6626 9.7715 9.7715 10.7814 10.7814 13.3164 13.3164 13.5499 13.5499 k = 0.5522-0.7391-0.4520 ( 2042 PWs) bands (ev): -32.0449 -32.0449 -32.0287 -32.0287 -13.1597 -13.1597 -13.1485 -13.1485 -11.8294 -11.8294 -11.8202 -11.8202 -11.6380 -11.6380 -11.5307 -11.5307 1.3918 1.3918 7.0758 7.0758 8.3862 8.3862 8.8014 8.8014 9.6633 9.6633 9.7674 9.7674 10.7856 10.7856 13.3244 13.3244 13.5612 13.5612 k = 0.5696-0.7308-0.4470 ( 2044 PWs) bands (ev): -32.0450 -32.0450 -32.0287 -32.0287 -13.1600 -13.1600 -13.1486 -13.1486 -11.8296 -11.8296 -11.8208 -11.8208 -11.6378 -11.6378 -11.5294 -11.5294 1.3912 1.3912 7.0677 7.0677 8.3889 8.3889 8.7987 8.7987 9.6642 9.6642 9.7617 9.7617 10.7916 10.7916 13.3353 13.3353 13.5769 13.5769 k = 0.5869-0.7225-0.4419 ( 2049 PWs) bands (ev): -32.0451 -32.0451 -32.0286 -32.0286 -13.1605 -13.1605 -13.1486 -13.1486 -11.8297 -11.8297 -11.8215 -11.8215 -11.6375 -11.6375 -11.5276 -11.5276 1.3905 1.3905 7.0576 7.0576 8.3923 8.3923 8.7952 8.7952 9.6652 9.6652 9.7543 9.7543 10.7997 10.7997 13.3488 13.3488 13.5968 13.5968 k = 0.6043-0.7143-0.4368 ( 2049 PWs) bands (ev): -32.0452 -32.0452 -32.0285 -32.0285 -13.1611 -13.1611 -13.1487 -13.1487 -11.8299 -11.8299 -11.8224 -11.8224 -11.6372 -11.6372 -11.5256 -11.5256 1.3897 1.3897 7.0455 7.0455 8.3964 8.3964 8.7911 8.7911 9.6664 9.6664 9.7454 9.7454 10.8099 10.8099 13.3646 13.3646 13.6207 13.6207 k = 0.6217-0.7060-0.4318 ( 2051 PWs) bands (ev): -32.0454 -32.0454 -32.0284 -32.0284 -13.1617 -13.1617 -13.1487 -13.1487 -11.8301 -11.8301 -11.8233 -11.8233 -11.6368 -11.6368 -11.5233 -11.5233 1.3888 1.3888 7.0316 7.0316 8.4012 8.4012 8.7864 8.7864 9.6676 9.6676 9.7350 9.7350 10.8223 10.8223 13.3822 13.3822 13.6483 13.6483 k = 0.6391-0.6977-0.4267 ( 2047 PWs) bands (ev): -32.0455 -32.0455 -32.0283 -32.0283 -13.1625 -13.1625 -13.1488 -13.1488 -11.8304 -11.8304 -11.8243 -11.8243 -11.6363 -11.6363 -11.5208 -11.5208 1.3877 1.3877 7.0163 7.0163 8.4065 8.4065 8.7812 8.7812 9.6687 9.6687 9.7233 9.7233 10.8371 10.8371 13.4013 13.4013 13.6793 13.6793 k = 0.6565-0.6894-0.4216 ( 2047 PWs) bands (ev): -32.0457 -32.0457 -32.0281 -32.0281 -13.1632 -13.1632 -13.1489 -13.1489 -11.8307 -11.8307 -11.8254 -11.8254 -11.6358 -11.6358 -11.5180 -11.5180 1.3865 1.3865 6.9996 6.9996 8.4124 8.4124 8.7757 8.7757 9.6696 9.6696 9.7107 9.7107 10.8542 10.8542 13.4213 13.4213 13.7133 13.7133 k = 0.6739-0.6811-0.4166 ( 2042 PWs) bands (ev): -32.0459 -32.0459 -32.0280 -32.0280 -13.1641 -13.1641 -13.1489 -13.1489 -11.8312 -11.8312 -11.8264 -11.8264 -11.6352 -11.6352 -11.5151 -11.5151 1.3853 1.3853 6.9818 6.9818 8.4187 8.4187 8.7697 8.7697 9.6695 9.6695 9.6980 9.6980 10.8736 10.8736 13.4420 13.4420 13.7498 13.7498 k = 0.6913-0.6728-0.4115 ( 2038 PWs) bands (ev): -32.0461 -32.0461 -32.0278 -32.0278 -13.1650 -13.1650 -13.1490 -13.1490 -11.8318 -11.8318 -11.8273 -11.8273 -11.6346 -11.6346 -11.5121 -11.5121 1.3840 1.3840 6.9632 6.9632 8.4254 8.4254 8.7636 8.7636 9.6662 9.6662 9.6878 9.6878 10.8952 10.8952 13.4626 13.4626 13.7882 13.7882 k = 0.7087-0.6646-0.4064 ( 2040 PWs) bands (ev): -32.0463 -32.0463 -32.0277 -32.0277 -13.1659 -13.1659 -13.1490 -13.1490 -11.8327 -11.8327 -11.8279 -11.8279 -11.6339 -11.6339 -11.5090 -11.5090 1.3826 1.3826 6.9440 6.9440 8.4323 8.4323 8.7574 8.7574 9.6561 9.6561 9.6838 9.6838 10.9188 10.9188 13.4830 13.4830 13.8279 13.8279 k = 0.7260-0.6563-0.4014 ( 2032 PWs) bands (ev): -32.0465 -32.0465 -32.0275 -32.0275 -13.1669 -13.1669 -13.1490 -13.1490 -11.8339 -11.8339 -11.8283 -11.8283 -11.6333 -11.6333 -11.5059 -11.5059 1.3813 1.3813 6.9243 6.9243 8.4394 8.4394 8.7511 8.7511 9.6415 9.6415 9.6841 9.6841 10.9442 10.9442 13.5025 13.5025 13.8679 13.8679 k = 0.7434-0.6480-0.3963 ( 2027 PWs) bands (ev): -32.0467 -32.0467 -32.0273 -32.0273 -13.1678 -13.1678 -13.1490 -13.1490 -11.8353 -11.8353 -11.8284 -11.8284 -11.6326 -11.6326 -11.5028 -11.5028 1.3799 1.3799 6.9046 6.9046 8.4466 8.4466 8.7448 8.7448 9.6253 9.6253 9.6860 9.6860 10.9712 10.9712 13.5208 13.5208 13.9075 13.9075 k = 0.7608-0.6397-0.3912 ( 2025 PWs) bands (ev): -32.0469 -32.0469 -32.0271 -32.0271 -13.1688 -13.1688 -13.1489 -13.1489 -11.8367 -11.8367 -11.8283 -11.8283 -11.6320 -11.6320 -11.4997 -11.4997 1.3785 1.3785 6.8849 6.8849 8.4537 8.4537 8.7388 8.7388 9.6087 9.6087 9.6889 9.6889 10.9994 10.9994 13.5376 13.5376 13.9454 13.9454 k = 0.7782-0.6314-0.3862 ( 2025 PWs) bands (ev): -32.0472 -32.0472 -32.0269 -32.0269 -13.1698 -13.1698 -13.1488 -13.1488 -11.8383 -11.8383 -11.8282 -11.8282 -11.6314 -11.6314 -11.4967 -11.4967 1.3771 1.3771 6.8654 6.8654 8.4607 8.4607 8.7329 8.7329 9.5923 9.5923 9.6925 9.6925 11.0285 11.0285 13.5524 13.5524 13.9806 13.9806 k = 0.7956-0.6232-0.3811 ( 2022 PWs) bands (ev): -32.0474 -32.0474 -32.0268 -32.0268 -13.1708 -13.1708 -13.1486 -13.1486 -11.8398 -11.8398 -11.8279 -11.8279 -11.6308 -11.6308 -11.4937 -11.4937 1.3757 1.3757 6.8465 6.8465 8.4673 8.4673 8.7274 8.7274 9.5762 9.5762 9.6968 9.6968 11.0581 11.0581 13.5651 13.5651 14.0117 14.0117 k = 0.8130-0.6149-0.3761 ( 2022 PWs) bands (ev): -32.0477 -32.0477 -32.0266 -32.0266 -13.1717 -13.1717 -13.1483 -13.1483 -11.8413 -11.8413 -11.8275 -11.8275 -11.6304 -11.6304 -11.4909 -11.4909 1.3744 1.3744 6.8282 6.8282 8.4736 8.4736 8.7222 8.7222 9.5610 9.5610 9.7018 9.7018 11.0878 11.0878 13.5754 13.5754 14.0377 14.0377 Writing output data file Y2C.save init_run : 0.21s CPU 0.39s WALL ( 1 calls) electrons : 94.93s CPU 97.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 94.93s CPU 97.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 338 calls) cegterg : 82.25s CPU 83.42s WALL ( 467 calls) Called by sum_band: Called by *egterg: h_psi : 63.05s CPU 63.70s WALL ( 7811 calls) s_psi : 1.51s CPU 1.38s WALL ( 7811 calls) g_psi : 0.06s CPU 0.07s WALL ( 7006 calls) cdiaghg : 24.75s CPU 25.35s WALL ( 7344 calls) cegterg:over : 1.51s CPU 1.62s WALL ( 7006 calls) cegterg:upda : 1.10s CPU 1.18s WALL ( 7006 calls) cegterg:last : 0.70s CPU 0.72s WALL ( 1143 calls) cdiaghg:chol : 1.15s CPU 1.28s WALL ( 7344 calls) cdiaghg:inve : 0.50s CPU 0.54s WALL ( 7344 calls) cdiaghg:para : 1.56s CPU 1.58s WALL ( 14688 calls) Called by h_psi: h_psi:vloc : 59.65s CPU 60.49s WALL ( 7811 calls) h_psi:vnl : 3.34s CPU 3.17s WALL ( 7811 calls) add_vuspsi : 1.84s CPU 1.73s WALL ( 7811 calls) General routines calbec : 1.47s CPU 1.42s WALL ( 7811 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 55.42s CPU 56.35s WALL ( 484420 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.47s WALL ( 676 calls) Parallel routines fft_scatter : 13.95s CPU 14.09s WALL ( 484443 calls) PWSCF : 1m44.05s CPU 2m10.71s WALL This run was terminated on: 18: 1: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=