Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 0:38 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: ./SrZrN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 32 9 1056 508 84 Max 52 33 10 1058 526 86 Sum 1839 1153 337 38025 18711 3063 bravais-lattice index = 14 lattice parameter (alat) = 11.7264 a.u. unit-cell volume = 391.7580 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.726433 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.852268 celldm(5)= 0.852268 celldm(6)= 0.852268 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.852268 0.523105 0.000000 ) a(3) = ( 0.852268 0.240692 0.464442 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.629249 -0.990698 ) b(2) = ( 0.000000 1.911663 -0.990698 ) b(3) = ( 0.000000 0.000000 2.153122 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 359 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0090909 -0.0148114 -0.0090063), wk = 0.0027855 k( 3) = ( 0.0181818 -0.0296227 -0.0180127), wk = 0.0027855 k( 4) = ( 0.0272727 -0.0444341 -0.0270190), wk = 0.0027855 k( 5) = ( 0.0363636 -0.0592454 -0.0360254), wk = 0.0027855 k( 6) = ( 0.0454546 -0.0740568 -0.0450317), wk = 0.0027855 k( 7) = ( 0.0545455 -0.0888681 -0.0540381), wk = 0.0027855 k( 8) = ( 0.0636364 -0.1036795 -0.0630444), wk = 0.0027855 k( 9) = ( 0.0727273 -0.1184909 -0.0720507), wk = 0.0027855 k( 10) = ( 0.0818182 -0.1333022 -0.0810571), wk = 0.0027855 k( 11) = ( 0.0909091 -0.1481136 -0.0900634), wk = 0.0027855 k( 12) = ( 0.1000000 -0.1629249 -0.0990698), wk = 0.0027855 k( 13) = ( 0.1090909 -0.1777363 -0.1080761), wk = 0.0027855 k( 14) = ( 0.1181818 -0.1925477 -0.1170825), wk = 0.0027855 k( 15) = ( 0.1272727 -0.2073590 -0.1260888), wk = 0.0027855 k( 16) = ( 0.1363636 -0.2221704 -0.1350951), wk = 0.0027855 k( 17) = ( 0.1454545 -0.2369817 -0.1441015), wk = 0.0027855 k( 18) = ( 0.1545455 -0.2517931 -0.1531078), wk = 0.0027855 k( 19) = ( 0.1636364 -0.2666044 -0.1621142), wk = 0.0027855 k( 20) = ( 0.1727273 -0.2814158 -0.1711205), wk = 0.0027855 k( 21) = ( 0.1818182 -0.2962272 -0.1801268), wk = 0.0027855 k( 22) = ( 0.1909091 -0.3110385 -0.1891332), wk = 0.0027855 k( 23) = ( 0.2000000 -0.3258499 -0.1981395), wk = 0.0027855 k( 24) = ( 0.2090909 -0.3406612 -0.2071459), wk = 0.0027855 k( 25) = ( 0.2181818 -0.3554726 -0.2161522), wk = 0.0027855 k( 26) = ( 0.2272727 -0.3702840 -0.2251586), wk = 0.0027855 k( 27) = ( 0.2363636 -0.3850953 -0.2341649), wk = 0.0027855 k( 28) = ( 0.2454545 -0.3999067 -0.2431713), wk = 0.0027855 k( 29) = ( 0.2545455 -0.4147180 -0.2521776), wk = 0.0027855 k( 30) = ( 0.2636364 -0.4295294 -0.2611839), wk = 0.0027855 k( 31) = ( 0.2727273 -0.4443408 -0.2701903), wk = 0.0027855 k( 32) = ( 0.2818182 -0.4591521 -0.2791966), wk = 0.0027855 k( 33) = ( 0.2909091 -0.4739635 -0.2882030), wk = 0.0027855 k( 34) = ( 0.3000000 -0.4887748 -0.2972093), wk = 0.0027855 k( 35) = ( 0.3090909 -0.5035862 -0.3062156), wk = 0.0027855 k( 36) = ( 0.3181818 -0.5183976 -0.3152220), wk = 0.0027855 k( 37) = ( 0.3272727 -0.5332089 -0.3242283), wk = 0.0027855 k( 38) = ( 0.3363636 -0.5480203 -0.3332347), wk = 0.0027855 k( 39) = ( 0.3454546 -0.5628316 -0.3422410), wk = 0.0027855 k( 40) = ( 0.3545454 -0.5776430 -0.3512474), wk = 0.0027855 k( 41) = ( 0.3636364 -0.5924543 -0.3602537), wk = 0.0027855 k( 42) = ( 0.3727273 -0.6072657 -0.3692600), wk = 0.0027855 k( 43) = ( 0.3818182 -0.6220771 -0.3782664), wk = 0.0027855 k( 44) = ( 0.3909091 -0.6368884 -0.3872727), wk = 0.0027855 k( 45) = ( 0.4000000 -0.6516998 -0.3962791), wk = 0.0027855 k( 46) = ( 0.4090909 -0.6665111 -0.4052854), wk = 0.0027855 k( 47) = ( 0.4181818 -0.6813225 -0.4142918), wk = 0.0027855 k( 48) = ( 0.4272727 -0.6961339 -0.4232981), wk = 0.0027855 k( 49) = ( 0.4363636 -0.7109452 -0.4323044), wk = 0.0027855 k( 50) = ( 0.4454546 -0.7257566 -0.4413108), wk = 0.0027855 k( 51) = ( 0.4545455 -0.7405679 -0.4503171), wk = 0.0027855 k( 52) = ( 0.4636364 -0.7553793 -0.4593235), wk = 0.0027855 k( 53) = ( 0.4727273 -0.7701906 -0.4683298), wk = 0.0027855 k( 54) = ( 0.4818182 -0.7850020 -0.4773362), wk = 0.0027855 k( 55) = ( 0.4909091 -0.7998134 -0.4863425), wk = 0.0027855 k( 56) = ( 0.5000000 -0.8146247 -0.4953488), wk = 0.0027855 k( 57) = ( 0.5000000 -0.8146247 -0.4953488), wk = 0.0027855 k( 58) = ( 0.5000000 -0.8045271 -0.5119549), wk = 0.0027855 k( 59) = ( 0.5000000 -0.7944294 -0.5285610), wk = 0.0027855 k( 60) = ( 0.5000000 -0.7843318 -0.5451670), wk = 0.0027855 k( 61) = ( 0.5000000 -0.7742341 -0.5617731), wk = 0.0027855 k( 62) = ( 0.5000000 -0.7641365 -0.5783792), wk = 0.0027855 k( 63) = ( 0.5000000 -0.7540388 -0.5949852), wk = 0.0027855 k( 64) = ( 0.5000000 -0.7439412 -0.6115913), wk = 0.0027855 k( 65) = ( 0.5000000 -0.7338435 -0.6281974), wk = 0.0027855 k( 66) = ( 0.5000000 -0.7237459 -0.6448034), wk = 0.0027855 k( 67) = ( 0.5000000 -0.7136482 -0.6614095), wk = 0.0027855 k( 68) = ( 0.5000000 -0.7035506 -0.6780156), wk = 0.0027855 k( 69) = ( 0.5000000 -0.6934529 -0.6946216), wk = 0.0027855 k( 70) = ( 0.5000000 -0.6833553 -0.7112277), wk = 0.0027855 k( 71) = ( 0.5000000 -0.6732576 -0.7278338), wk = 0.0027855 k( 72) = ( 0.5000000 -0.6631600 -0.7444398), wk = 0.0027855 k( 73) = ( 0.5000000 -0.6530623 -0.7610459), wk = 0.0027855 k( 74) = ( 0.5000000 -0.6429647 -0.7776520), wk = 0.0027855 k( 75) = ( 0.5000000 -0.6328670 -0.7942580), wk = 0.0027855 k( 76) = ( 0.5000000 -0.6227694 -0.8108641), wk = 0.0027855 k( 77) = ( 0.5000000 -0.6126717 -0.8274702), wk = 0.0027855 k( 78) = ( 0.5000000 -0.6025741 -0.8440762), wk = 0.0027855 k( 79) = ( 0.5000000 -0.5924764 -0.8606823), wk = 0.0027855 k( 80) = ( 0.5000000 -0.5823788 -0.8772884), wk = 0.0027855 k( 81) = ( 0.5000000 -0.5722811 -0.8938944), wk = 0.0027855 k( 82) = ( 0.5000000 -0.5621835 -0.9105005), wk = 0.0027855 k( 83) = ( 0.5000000 -0.5520858 -0.9271066), wk = 0.0027855 k( 84) = ( 0.5000000 -0.5419882 -0.9437126), wk = 0.0027855 k( 85) = ( 0.5000000 -0.5318905 -0.9603187), wk = 0.0027855 k( 86) = ( 0.5000000 -0.5217929 -0.9769247), wk = 0.0027855 k( 87) = ( 0.5000000 -0.5116952 -0.9935308), wk = 0.0027855 k( 88) = ( 0.5000000 -0.5015976 -1.0101369), wk = 0.0027855 k( 89) = ( 0.5000000 -0.4914999 -1.0267429), wk = 0.0027855 k( 90) = ( 0.5000000 -0.4814023 -1.0433490), wk = 0.0027855 k( 91) = ( 0.5000000 -0.4713046 -1.0599551), wk = 0.0027855 k( 92) = ( 0.5000000 -0.4612070 -1.0765611), wk = 0.0027855 k( 93) = ( 0.8151255 -0.3722114 -0.9048342), wk = 0.0027855 k( 94) = ( 0.8097843 -0.3635094 -0.8880427), wk = 0.0027855 k( 95) = ( 0.8044432 -0.3548074 -0.8712512), wk = 0.0027855 k( 96) = ( 0.7991021 -0.3461054 -0.8544598), wk = 0.0027855 k( 97) = ( 0.7937610 -0.3374034 -0.8376683), wk = 0.0027855 k( 98) = ( 0.7884199 -0.3287014 -0.8208768), wk = 0.0027855 k( 99) = ( 0.7830788 -0.3199994 -0.8040853), wk = 0.0027855 k( 100) = ( 0.7777377 -0.3112974 -0.7872938), wk = 0.0027855 k( 101) = ( 0.7723966 -0.3025954 -0.7705023), wk = 0.0027855 k( 102) = ( 0.7670555 -0.2938934 -0.7537108), wk = 0.0027855 k( 103) = ( 0.7617144 -0.2851914 -0.7369194), wk = 0.0027855 k( 104) = ( 0.7563732 -0.2764894 -0.7201279), wk = 0.0027855 k( 105) = ( 0.7510321 -0.2677874 -0.7033364), wk = 0.0027855 k( 106) = ( 0.7456910 -0.2590854 -0.6865449), wk = 0.0027855 k( 107) = ( 0.7403499 -0.2503834 -0.6697534), wk = 0.0027855 k( 108) = ( 0.7350088 -0.2416814 -0.6529619), wk = 0.0027855 k( 109) = ( 0.7296677 -0.2329794 -0.6361704), wk = 0.0027855 k( 110) = ( 0.7243266 -0.2242774 -0.6193789), wk = 0.0027855 k( 111) = ( 0.7189855 -0.2155754 -0.6025875), wk = 0.0027855 k( 112) = ( 0.7136444 -0.2068734 -0.5857960), wk = 0.0027855 k( 113) = ( 0.7083033 -0.1981714 -0.5690045), wk = 0.0027855 k( 114) = ( 0.7029621 -0.1894694 -0.5522130), wk = 0.0027855 k( 115) = ( 0.6976210 -0.1807674 -0.5354215), wk = 0.0027855 k( 116) = ( 0.6922799 -0.1720654 -0.5186300), wk = 0.0027855 k( 117) = ( 0.6869388 -0.1633634 -0.5018386), wk = 0.0027855 k( 118) = ( 0.6815977 -0.1546614 -0.4850471), wk = 0.0027855 k( 119) = ( 0.6762566 -0.1459594 -0.4682556), wk = 0.0027855 k( 120) = ( 0.6709155 -0.1372574 -0.4514641), wk = 0.0027855 k( 121) = ( 0.6655744 -0.1285554 -0.4346726), wk = 0.0027855 k( 122) = ( 0.6602333 -0.1198534 -0.4178811), wk = 0.0027855 k( 123) = ( 0.6548922 -0.1111514 -0.4010896), wk = 0.0027855 k( 124) = ( 0.6495511 -0.1024494 -0.3842981), wk = 0.0027855 k( 125) = ( 0.6442100 -0.0937474 -0.3675067), wk = 0.0027855 k( 126) = ( 0.6388688 -0.0850454 -0.3507152), wk = 0.0027855 k( 127) = ( 0.6335277 -0.0763434 -0.3339237), wk = 0.0027855 k( 128) = ( 0.6281866 -0.0676414 -0.3171322), wk = 0.0027855 k( 129) = ( 0.6228455 -0.0589394 -0.3003407), wk = 0.0027855 k( 130) = ( 0.6175044 -0.0502374 -0.2835492), wk = 0.0027855 k( 131) = ( 0.6121633 -0.0415354 -0.2667578), wk = 0.0027855 k( 132) = ( 0.6068222 -0.0328334 -0.2499663), wk = 0.0027855 k( 133) = ( 0.6014811 -0.0241314 -0.2331748), wk = 0.0027855 k( 134) = ( 0.5961400 -0.0154294 -0.2163833), wk = 0.0027855 k( 135) = ( 0.5907989 -0.0067274 -0.1995918), wk = 0.0027855 k( 136) = ( 0.5854577 0.0019746 -0.1828003), wk = 0.0027855 k( 137) = ( 0.5801166 0.0106766 -0.1660088), wk = 0.0027855 k( 138) = ( 0.5747755 0.0193786 -0.1492173), wk = 0.0027855 k( 139) = ( 0.5694344 0.0280806 -0.1324258), wk = 0.0027855 k( 140) = ( 0.5640933 0.0367826 -0.1156344), wk = 0.0027855 k( 141) = ( 0.5587522 0.0454846 -0.0988429), wk = 0.0027855 k( 142) = ( 0.5534111 0.0541866 -0.0820514), wk = 0.0027855 k( 143) = ( 0.5480700 0.0628886 -0.0652599), wk = 0.0027855 k( 144) = ( 0.5427289 0.0715906 -0.0484684), wk = 0.0027855 k( 145) = ( 0.5373878 0.0802926 -0.0316769), wk = 0.0027855 k( 146) = ( 0.5320467 0.0889946 -0.0148855), wk = 0.0027855 k( 147) = ( 0.5267055 0.0976966 0.0019060), wk = 0.0027855 k( 148) = ( 0.5213644 0.1063986 0.0186975), wk = 0.0027855 k( 149) = ( 0.5160233 0.1151006 0.0354890), wk = 0.0027855 k( 150) = ( 0.5106822 0.1238026 0.0522805), wk = 0.0027855 k( 151) = ( 0.5053411 0.1325046 0.0690720), wk = 0.0027855 k( 152) = ( 0.5000000 0.1412066 0.0858635), wk = 0.0027855 k( 153) = ( 0.5000000 0.1412066 0.0858635), wk = 0.0027855 k( 154) = ( 0.4814815 0.1359767 0.0826833), wk = 0.0027855 k( 155) = ( 0.4629630 0.1307468 0.0795032), wk = 0.0027855 k( 156) = ( 0.4444444 0.1255169 0.0763231), wk = 0.0027855 k( 157) = ( 0.4259259 0.1202871 0.0731430), wk = 0.0027855 k( 158) = ( 0.4074074 0.1150572 0.0699628), wk = 0.0027855 k( 159) = ( 0.3888889 0.1098273 0.0667827), wk = 0.0027855 k( 160) = ( 0.3703704 0.1045975 0.0636026), wk = 0.0027855 k( 161) = ( 0.3518519 0.0993676 0.0604224), wk = 0.0027855 k( 162) = ( 0.3333333 0.0941377 0.0572423), wk = 0.0027855 k( 163) = ( 0.3148148 0.0889078 0.0540622), wk = 0.0027855 k( 164) = ( 0.2962963 0.0836780 0.0508821), wk = 0.0027855 k( 165) = ( 0.2777778 0.0784481 0.0477019), wk = 0.0027855 k( 166) = ( 0.2592593 0.0732182 0.0445218), wk = 0.0027855 k( 167) = ( 0.2407407 0.0679883 0.0413417), wk = 0.0027855 k( 168) = ( 0.2222222 0.0627585 0.0381615), wk = 0.0027855 k( 169) = ( 0.2037037 0.0575286 0.0349814), wk = 0.0027855 k( 170) = ( 0.1851852 0.0522987 0.0318013), wk = 0.0027855 k( 171) = ( 0.1666667 0.0470689 0.0286212), wk = 0.0027855 k( 172) = ( 0.1481482 0.0418390 0.0254410), wk = 0.0027855 k( 173) = ( 0.1296296 0.0366091 0.0222609), wk = 0.0027855 k( 174) = ( 0.1111111 0.0313792 0.0190808), wk = 0.0027855 k( 175) = ( 0.0925926 0.0261494 0.0159006), wk = 0.0027855 k( 176) = ( 0.0740741 0.0209195 0.0127205), wk = 0.0027855 k( 177) = ( 0.0555556 0.0156896 0.0095404), wk = 0.0027855 k( 178) = ( 0.0370370 0.0104597 0.0063603), wk = 0.0027855 k( 179) = ( 0.0185185 0.0052299 0.0031801), wk = 0.0027855 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 182) = ( 0.0053506 -0.0087174 -0.0168213), wk = 0.0027855 k( 183) = ( 0.0107012 -0.0174349 -0.0336425), wk = 0.0027855 k( 184) = ( 0.0160518 -0.0261523 -0.0504638), wk = 0.0027855 k( 185) = ( 0.0214023 -0.0348697 -0.0672851), wk = 0.0027855 k( 186) = ( 0.0267529 -0.0435872 -0.0841063), wk = 0.0027855 k( 187) = ( 0.0321035 -0.0523046 -0.1009276), wk = 0.0027855 k( 188) = ( 0.0374541 -0.0610220 -0.1177489), wk = 0.0027855 k( 189) = ( 0.0428047 -0.0697395 -0.1345701), wk = 0.0027855 k( 190) = ( 0.0481552 -0.0784569 -0.1513914), wk = 0.0027855 k( 191) = ( 0.0535058 -0.0871743 -0.1682127), wk = 0.0027855 k( 192) = ( 0.0588564 -0.0958918 -0.1850340), wk = 0.0027855 k( 193) = ( 0.0642070 -0.1046092 -0.2018552), wk = 0.0027855 k( 194) = ( 0.0695576 -0.1133266 -0.2186765), wk = 0.0027855 k( 195) = ( 0.0749082 -0.1220441 -0.2354977), wk = 0.0027855 k( 196) = ( 0.0802587 -0.1307615 -0.2523190), wk = 0.0027855 k( 197) = ( 0.0856093 -0.1394789 -0.2691403), wk = 0.0027855 k( 198) = ( 0.0909599 -0.1481964 -0.2859616), wk = 0.0027855 k( 199) = ( 0.0963105 -0.1569138 -0.3027828), wk = 0.0027855 k( 200) = ( 0.1016611 -0.1656312 -0.3196041), wk = 0.0027855 k( 201) = ( 0.1070116 -0.1743487 -0.3364254), wk = 0.0027855 k( 202) = ( 0.1123622 -0.1830661 -0.3532466), wk = 0.0027855 k( 203) = ( 0.1177128 -0.1917835 -0.3700679), wk = 0.0027855 k( 204) = ( 0.1230634 -0.2005010 -0.3868892), wk = 0.0027855 k( 205) = ( 0.1284140 -0.2092184 -0.4037104), wk = 0.0027855 k( 206) = ( 0.1337646 -0.2179358 -0.4205317), wk = 0.0027855 k( 207) = ( 0.1391151 -0.2266533 -0.4373530), wk = 0.0027855 k( 208) = ( 0.1444657 -0.2353707 -0.4541742), wk = 0.0027855 k( 209) = ( 0.1498163 -0.2440881 -0.4709955), wk = 0.0027855 k( 210) = ( 0.1551669 -0.2528056 -0.4878168), wk = 0.0027855 k( 211) = ( 0.1605175 -0.2615230 -0.5046380), wk = 0.0027855 k( 212) = ( 0.1658681 -0.2702404 -0.5214593), wk = 0.0027855 k( 213) = ( 0.1712186 -0.2789579 -0.5382806), wk = 0.0027855 k( 214) = ( 0.1765692 -0.2876753 -0.5551018), wk = 0.0027855 k( 215) = ( 0.1819198 -0.2963927 -0.5719231), wk = 0.0027855 k( 216) = ( 0.1872704 -0.3051102 -0.5887444), wk = 0.0027855 k( 217) = ( 0.1926210 -0.3138276 -0.6055657), wk = 0.0027855 k( 218) = ( 0.1979715 -0.3225450 -0.6223869), wk = 0.0027855 k( 219) = ( 0.2033221 -0.3312625 -0.6392082), wk = 0.0027855 k( 220) = ( 0.2086727 -0.3399799 -0.6560295), wk = 0.0027855 k( 221) = ( 0.2140233 -0.3486973 -0.6728507), wk = 0.0027855 k( 222) = ( 0.2193739 -0.3574148 -0.6896720), wk = 0.0027855 k( 223) = ( 0.2247245 -0.3661322 -0.7064932), wk = 0.0027855 k( 224) = ( 0.2300750 -0.3748496 -0.7233145), wk = 0.0027855 k( 225) = ( 0.2354256 -0.3835671 -0.7401358), wk = 0.0027855 k( 226) = ( 0.2407762 -0.3922845 -0.7569571), wk = 0.0027855 k( 227) = ( 0.2461268 -0.4010019 -0.7737783), wk = 0.0027855 k( 228) = ( 0.2514774 -0.4097194 -0.7905996), wk = 0.0027855 k( 229) = ( 0.2568280 -0.4184368 -0.8074209), wk = 0.0027855 k( 230) = ( 0.2621785 -0.4271542 -0.8242421), wk = 0.0027855 k( 231) = ( 0.2675291 -0.4358717 -0.8410634), wk = 0.0027855 k( 232) = ( 0.2728797 -0.4445891 -0.8578847), wk = 0.0027855 k( 233) = ( 0.2782303 -0.4533065 -0.8747059), wk = 0.0027855 k( 234) = ( 0.2835809 -0.4620240 -0.8915272), wk = 0.0027855 k( 235) = ( 0.2889314 -0.4707414 -0.9083485), wk = 0.0027855 k( 236) = ( 0.2942820 -0.4794588 -0.9251697), wk = 0.0027855 k( 237) = ( 0.2996326 -0.4881763 -0.9419910), wk = 0.0027855 k( 238) = ( 0.3049832 -0.4968937 -0.9588123), wk = 0.0027855 k( 239) = ( 0.3103338 -0.5056111 -0.9756335), wk = 0.0027855 k( 240) = ( 0.3156844 -0.5143286 -0.9924548), wk = 0.0027855 k( 241) = ( 0.3210349 -0.5230460 -1.0092761), wk = 0.0027855 k( 242) = ( 0.3263855 -0.5317634 -1.0260973), wk = 0.0027855 k( 243) = ( 0.3317361 -0.5404809 -1.0429186), wk = 0.0027855 k( 244) = ( 0.3370867 -0.5491983 -1.0597399), wk = 0.0027855 k( 245) = ( 0.3424373 -0.5579157 -1.0765612), wk = 0.0027855 k( 246) = ( 0.6575627 -0.4167092 -0.9906977), wk = 0.0027855 k( 247) = ( 0.6523106 -0.3981120 -0.9906977), wk = 0.0027855 k( 248) = ( 0.6470585 -0.3795148 -0.9906977), wk = 0.0027855 k( 249) = ( 0.6418065 -0.3609176 -0.9906977), wk = 0.0027855 k( 250) = ( 0.6365544 -0.3423204 -0.9906977), wk = 0.0027855 k( 251) = ( 0.6313023 -0.3237232 -0.9906977), wk = 0.0027855 k( 252) = ( 0.6260502 -0.3051260 -0.9906977), wk = 0.0027855 k( 253) = ( 0.6207981 -0.2865288 -0.9906977), wk = 0.0027855 k( 254) = ( 0.6155460 -0.2679317 -0.9906977), wk = 0.0027855 k( 255) = ( 0.6102939 -0.2493345 -0.9906977), wk = 0.0027855 k( 256) = ( 0.6050418 -0.2307373 -0.9906977), wk = 0.0027855 k( 257) = ( 0.5997897 -0.2121401 -0.9906977), wk = 0.0027855 k( 258) = ( 0.5945376 -0.1935429 -0.9906977), wk = 0.0027855 k( 259) = ( 0.5892855 -0.1749457 -0.9906977), wk = 0.0027855 k( 260) = ( 0.5840334 -0.1563485 -0.9906977), wk = 0.0027855 k( 261) = ( 0.5787814 -0.1377513 -0.9906977), wk = 0.0027855 k( 262) = ( 0.5735293 -0.1191541 -0.9906977), wk = 0.0027855 k( 263) = ( 0.5682772 -0.1005569 -0.9906977), wk = 0.0027855 k( 264) = ( 0.5630251 -0.0819597 -0.9906977), wk = 0.0027855 k( 265) = ( 0.5577730 -0.0633625 -0.9906977), wk = 0.0027855 k( 266) = ( 0.5525209 -0.0447654 -0.9906977), wk = 0.0027855 k( 267) = ( 0.5472688 -0.0261682 -0.9906977), wk = 0.0027855 k( 268) = ( 0.5420167 -0.0075710 -0.9906977), wk = 0.0027855 k( 269) = ( 0.5367646 0.0110262 -0.9906977), wk = 0.0027855 k( 270) = ( 0.5315125 0.0296234 -0.9906977), wk = 0.0027855 k( 271) = ( 0.5262604 0.0482206 -0.9906977), wk = 0.0027855 k( 272) = ( 0.5210084 0.0668178 -0.9906977), wk = 0.0027855 k( 273) = ( 0.5157563 0.0854150 -0.9906977), wk = 0.0027855 k( 274) = ( 0.5105042 0.1040122 -0.9906977), wk = 0.0027855 k( 275) = ( 0.5052521 0.1226094 -0.9906977), wk = 0.0027855 k( 276) = ( 0.5000000 0.1412066 -0.9906977), wk = 0.0027855 k( 277) = ( 0.5000000 0.1412066 -0.9906977), wk = 0.0027855 k( 278) = ( 0.5157563 0.1456563 -0.9821113), wk = 0.0027855 k( 279) = ( 0.5315125 0.1501061 -0.9735250), wk = 0.0027855 k( 280) = ( 0.5472688 0.1545559 -0.9649386), wk = 0.0027855 k( 281) = ( 0.5630251 0.1590057 -0.9563523), wk = 0.0027855 k( 282) = ( 0.5787814 0.1634554 -0.9477659), wk = 0.0027855 k( 283) = ( 0.5945376 0.1679052 -0.9391796), wk = 0.0027855 k( 284) = ( 0.6102939 0.1723550 -0.9305932), wk = 0.0027855 k( 285) = ( 0.6260502 0.1768048 -0.9220069), wk = 0.0027855 k( 286) = ( 0.6418065 0.1812546 -0.9134205), wk = 0.0027855 k( 287) = ( 0.6575627 0.1857043 -0.9048342), wk = 0.0027855 k( 288) = ( 0.6575627 0.1857043 -0.9048342), wk = 0.0027855 k( 289) = ( 0.6544733 0.1848318 -0.8854088), wk = 0.0027855 k( 290) = ( 0.6513838 0.1839593 -0.8659833), wk = 0.0027855 k( 291) = ( 0.6482943 0.1830868 -0.8465579), wk = 0.0027855 k( 292) = ( 0.6452049 0.1822143 -0.8271324), wk = 0.0027855 k( 293) = ( 0.6421154 0.1813418 -0.8077070), wk = 0.0027855 k( 294) = ( 0.6390259 0.1804693 -0.7882815), wk = 0.0027855 k( 295) = ( 0.6359365 0.1795968 -0.7688561), wk = 0.0027855 k( 296) = ( 0.6328470 0.1787243 -0.7494307), wk = 0.0027855 k( 297) = ( 0.6297575 0.1778518 -0.7300052), wk = 0.0027855 k( 298) = ( 0.6266681 0.1769793 -0.7105797), wk = 0.0027855 k( 299) = ( 0.6235786 0.1761068 -0.6911543), wk = 0.0027855 k( 300) = ( 0.6204891 0.1752343 -0.6717289), wk = 0.0027855 k( 301) = ( 0.6173997 0.1743618 -0.6523034), wk = 0.0027855 k( 302) = ( 0.6143102 0.1734893 -0.6328780), wk = 0.0027855 k( 303) = ( 0.6112207 0.1726168 -0.6134525), wk = 0.0027855 k( 304) = ( 0.6081313 0.1717443 -0.5940271), wk = 0.0027855 k( 305) = ( 0.6050418 0.1708717 -0.5746017), wk = 0.0027855 k( 306) = ( 0.6019524 0.1699992 -0.5551762), wk = 0.0027855 k( 307) = ( 0.5988629 0.1691267 -0.5357508), wk = 0.0027855 k( 308) = ( 0.5957734 0.1682542 -0.5163253), wk = 0.0027855 k( 309) = ( 0.5926840 0.1673817 -0.4968999), wk = 0.0027855 k( 310) = ( 0.5895945 0.1665092 -0.4774744), wk = 0.0027855 k( 311) = ( 0.5865050 0.1656367 -0.4580490), wk = 0.0027855 k( 312) = ( 0.5834156 0.1647642 -0.4386235), wk = 0.0027855 k( 313) = ( 0.5803261 0.1638917 -0.4191981), wk = 0.0027855 k( 314) = ( 0.5772366 0.1630192 -0.3997727), wk = 0.0027855 k( 315) = ( 0.5741472 0.1621467 -0.3803472), wk = 0.0027855 k( 316) = ( 0.5710577 0.1612742 -0.3609218), wk = 0.0027855 k( 317) = ( 0.5679682 0.1604017 -0.3414963), wk = 0.0027855 k( 318) = ( 0.5648788 0.1595292 -0.3220709), wk = 0.0027855 k( 319) = ( 0.5617893 0.1586567 -0.3026454), wk = 0.0027855 k( 320) = ( 0.5586998 0.1577842 -0.2832200), wk = 0.0027855 k( 321) = ( 0.5556104 0.1569117 -0.2637945), wk = 0.0027855 k( 322) = ( 0.5525209 0.1560392 -0.2443691), wk = 0.0027855 k( 323) = ( 0.5494314 0.1551666 -0.2249436), wk = 0.0027855 k( 324) = ( 0.5463420 0.1542941 -0.2055182), wk = 0.0027855 k( 325) = ( 0.5432525 0.1534216 -0.1860927), wk = 0.0027855 k( 326) = ( 0.5401630 0.1525491 -0.1666673), wk = 0.0027855 k( 327) = ( 0.5370736 0.1516766 -0.1472419), wk = 0.0027855 k( 328) = ( 0.5339841 0.1508041 -0.1278164), wk = 0.0027855 k( 329) = ( 0.5308947 0.1499316 -0.1083910), wk = 0.0027855 k( 330) = ( 0.5278052 0.1490591 -0.0889655), wk = 0.0027855 k( 331) = ( 0.5247157 0.1481866 -0.0695401), wk = 0.0027855 k( 332) = ( 0.5216263 0.1473141 -0.0501146), wk = 0.0027855 k( 333) = ( 0.5185368 0.1464416 -0.0306892), wk = 0.0027855 k( 334) = ( 0.5154473 0.1455691 -0.0112638), wk = 0.0027855 k( 335) = ( 0.5123579 0.1446966 0.0081617), wk = 0.0027855 k( 336) = ( 0.5092684 0.1438241 0.0275871), wk = 0.0027855 k( 337) = ( 0.5061789 0.1429516 0.0470126), wk = 0.0027855 k( 338) = ( 0.5030895 0.1420791 0.0664380), wk = 0.0027855 k( 339) = ( 0.5000000 0.1412066 0.0858635), wk = 0.0027855 k( 340) = ( 0.5000000 -0.8146247 -0.4953488), wk = 0.0027855 k( 341) = ( 0.5165855 -0.8071928 -0.4908297), wk = 0.0027855 k( 342) = ( 0.5331711 -0.7997609 -0.4863106), wk = 0.0027855 k( 343) = ( 0.5497566 -0.7923290 -0.4817915), wk = 0.0027855 k( 344) = ( 0.5663422 -0.7848970 -0.4772723), wk = 0.0027855 k( 345) = ( 0.5829277 -0.7774651 -0.4727532), wk = 0.0027855 k( 346) = ( 0.5995133 -0.7700332 -0.4682341), wk = 0.0027855 k( 347) = ( 0.6160988 -0.7626013 -0.4637149), wk = 0.0027855 k( 348) = ( 0.6326844 -0.7551693 -0.4591958), wk = 0.0027855 k( 349) = ( 0.6492699 -0.7477374 -0.4546767), wk = 0.0027855 k( 350) = ( 0.6658555 -0.7403055 -0.4501575), wk = 0.0027855 k( 351) = ( 0.6824410 -0.7328736 -0.4456384), wk = 0.0027855 k( 352) = ( 0.6990266 -0.7254416 -0.4411193), wk = 0.0027855 k( 353) = ( 0.7156122 -0.7180097 -0.4366001), wk = 0.0027855 k( 354) = ( 0.7321977 -0.7105778 -0.4320810), wk = 0.0027855 k( 355) = ( 0.7487833 -0.7031459 -0.4275619), wk = 0.0027855 k( 356) = ( 0.7653688 -0.6957139 -0.4230428), wk = 0.0027855 k( 357) = ( 0.7819544 -0.6882820 -0.4185236), wk = 0.0027855 k( 358) = ( 0.7985399 -0.6808501 -0.4140045), wk = 0.0027855 k( 359) = ( 0.8151255 -0.6734182 -0.4094854), wk = 0.0027855 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0027855 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0027855 k( 4) = ( 0.0272727 0.0000000 0.0000000), wk = 0.0027855 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0027855 k( 6) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0027855 k( 7) = ( 0.0545455 0.0000000 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0636364 -0.0000000 -0.0000000), wk = 0.0027855 k( 9) = ( 0.0727273 0.0000000 -0.0000000), wk = 0.0027855 k( 10) = ( 0.0818182 0.0000000 -0.0000000), wk = 0.0027855 k( 11) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0027855 k( 12) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0027855 k( 13) = ( 0.1090909 0.0000000 -0.0000000), wk = 0.0027855 k( 14) = ( 0.1181818 -0.0000000 0.0000000), wk = 0.0027855 k( 15) = ( 0.1272727 -0.0000000 0.0000000), wk = 0.0027855 k( 16) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0027855 k( 17) = ( 0.1454545 -0.0000000 -0.0000000), wk = 0.0027855 k( 18) = ( 0.1545455 -0.0000000 0.0000000), wk = 0.0027855 k( 19) = ( 0.1636364 0.0000000 -0.0000000), wk = 0.0027855 k( 20) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0027855 k( 21) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0027855 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0027855 k( 23) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0027855 k( 24) = ( 0.2090909 0.0000000 0.0000000), wk = 0.0027855 k( 25) = ( 0.2181818 0.0000000 -0.0000000), wk = 0.0027855 k( 26) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0027855 k( 27) = ( 0.2363636 -0.0000000 0.0000000), wk = 0.0027855 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0027855 k( 29) = ( 0.2545455 0.0000000 -0.0000000), wk = 0.0027855 k( 30) = ( 0.2636364 0.0000000 -0.0000000), wk = 0.0027855 k( 31) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0027855 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0027855 k( 33) = ( 0.2909091 -0.0000000 0.0000000), wk = 0.0027855 k( 34) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0027855 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0027855 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0027855 k( 37) = ( 0.3272727 0.0000000 0.0000000), wk = 0.0027855 k( 38) = ( 0.3363636 0.0000000 -0.0000000), wk = 0.0027855 k( 39) = ( 0.3454546 0.0000000 -0.0000000), wk = 0.0027855 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0027855 k( 41) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0027855 k( 42) = ( 0.3727273 -0.0000000 0.0000000), wk = 0.0027855 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0027855 k( 44) = ( 0.3909091 0.0000000 -0.0000000), wk = 0.0027855 k( 45) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0027855 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0027855 k( 47) = ( 0.4181818 0.0000000 0.0000000), wk = 0.0027855 k( 48) = ( 0.4272727 0.0000000 -0.0000000), wk = 0.0027855 k( 49) = ( 0.4363636 0.0000000 -0.0000000), wk = 0.0027855 k( 50) = ( 0.4454546 -0.0000000 -0.0000000), wk = 0.0027855 k( 51) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0027855 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0027855 k( 53) = ( 0.4727273 0.0000000 -0.0000000), wk = 0.0027855 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0027855 k( 55) = ( 0.4909091 0.0000000 -0.0000000), wk = 0.0027855 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027855 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027855 k( 58) = ( 0.5000000 0.0052821 -0.0052821), wk = 0.0027855 k( 59) = ( 0.5000000 0.0105643 -0.0105643), wk = 0.0027855 k( 60) = ( 0.5000000 0.0158464 -0.0158464), wk = 0.0027855 k( 61) = ( 0.5000000 0.0211285 -0.0211285), wk = 0.0027855 k( 62) = ( 0.5000000 0.0264106 -0.0264107), wk = 0.0027855 k( 63) = ( 0.5000000 0.0316928 -0.0316928), wk = 0.0027855 k( 64) = ( 0.5000000 0.0369749 -0.0369749), wk = 0.0027855 k( 65) = ( 0.5000000 0.0422570 -0.0422570), wk = 0.0027855 k( 66) = ( 0.5000000 0.0475392 -0.0475392), wk = 0.0027855 k( 67) = ( 0.5000000 0.0528213 -0.0528213), wk = 0.0027855 k( 68) = ( 0.5000000 0.0581034 -0.0581034), wk = 0.0027855 k( 69) = ( 0.5000000 0.0633856 -0.0633856), wk = 0.0027855 k( 70) = ( 0.5000000 0.0686677 -0.0686677), wk = 0.0027855 k( 71) = ( 0.5000000 0.0739498 -0.0739498), wk = 0.0027855 k( 72) = ( 0.5000000 0.0792319 -0.0792319), wk = 0.0027855 k( 73) = ( 0.5000000 0.0845141 -0.0845141), wk = 0.0027855 k( 74) = ( 0.5000000 0.0897962 -0.0897962), wk = 0.0027855 k( 75) = ( 0.5000000 0.0950783 -0.0950783), wk = 0.0027855 k( 76) = ( 0.5000000 0.1003605 -0.1003605), wk = 0.0027855 k( 77) = ( 0.5000000 0.1056426 -0.1056426), wk = 0.0027855 k( 78) = ( 0.5000000 0.1109247 -0.1109247), wk = 0.0027855 k( 79) = ( 0.5000000 0.1162069 -0.1162069), wk = 0.0027855 k( 80) = ( 0.5000000 0.1214890 -0.1214890), wk = 0.0027855 k( 81) = ( 0.5000000 0.1267711 -0.1267711), wk = 0.0027855 k( 82) = ( 0.5000000 0.1320533 -0.1320532), wk = 0.0027855 k( 83) = ( 0.5000000 0.1373354 -0.1373354), wk = 0.0027855 k( 84) = ( 0.5000000 0.1426175 -0.1426175), wk = 0.0027855 k( 85) = ( 0.5000000 0.1478996 -0.1478996), wk = 0.0027855 k( 86) = ( 0.5000000 0.1531818 -0.1531818), wk = 0.0027855 k( 87) = ( 0.5000000 0.1584639 -0.1584639), wk = 0.0027855 k( 88) = ( 0.5000000 0.1637460 -0.1637460), wk = 0.0027855 k( 89) = ( 0.5000000 0.1690282 -0.1690282), wk = 0.0027855 k( 90) = ( 0.5000000 0.1743103 -0.1743103), wk = 0.0027855 k( 91) = ( 0.5000000 0.1795924 -0.1795924), wk = 0.0027855 k( 92) = ( 0.5000000 0.1848745 -0.1848745), wk = 0.0027855 k( 93) = ( 0.8151255 0.5000000 0.1848746), wk = 0.0027855 k( 94) = ( 0.8097843 0.5000000 0.1902157), wk = 0.0027855 k( 95) = ( 0.8044432 0.5000000 0.1955568), wk = 0.0027855 k( 96) = ( 0.7991021 0.5000000 0.2008979), wk = 0.0027855 k( 97) = ( 0.7937610 0.5000000 0.2062390), wk = 0.0027855 k( 98) = ( 0.7884199 0.5000000 0.2115801), wk = 0.0027855 k( 99) = ( 0.7830788 0.5000000 0.2169212), wk = 0.0027855 k( 100) = ( 0.7777377 0.5000000 0.2222623), wk = 0.0027855 k( 101) = ( 0.7723966 0.5000000 0.2276034), wk = 0.0027855 k( 102) = ( 0.7670555 0.5000000 0.2329445), wk = 0.0027855 k( 103) = ( 0.7617144 0.5000000 0.2382856), wk = 0.0027855 k( 104) = ( 0.7563732 0.5000000 0.2436268), wk = 0.0027855 k( 105) = ( 0.7510321 0.5000000 0.2489679), wk = 0.0027855 k( 106) = ( 0.7456910 0.5000000 0.2543090), wk = 0.0027855 k( 107) = ( 0.7403499 0.5000000 0.2596501), wk = 0.0027855 k( 108) = ( 0.7350088 0.5000000 0.2649912), wk = 0.0027855 k( 109) = ( 0.7296677 0.5000000 0.2703323), wk = 0.0027855 k( 110) = ( 0.7243266 0.5000000 0.2756734), wk = 0.0027855 k( 111) = ( 0.7189855 0.5000000 0.2810145), wk = 0.0027855 k( 112) = ( 0.7136444 0.5000000 0.2863556), wk = 0.0027855 k( 113) = ( 0.7083033 0.5000000 0.2916967), wk = 0.0027855 k( 114) = ( 0.7029621 0.5000000 0.2970379), wk = 0.0027855 k( 115) = ( 0.6976210 0.5000000 0.3023790), wk = 0.0027855 k( 116) = ( 0.6922799 0.5000000 0.3077201), wk = 0.0027855 k( 117) = ( 0.6869388 0.5000000 0.3130612), wk = 0.0027855 k( 118) = ( 0.6815977 0.5000000 0.3184023), wk = 0.0027855 k( 119) = ( 0.6762566 0.5000000 0.3237434), wk = 0.0027855 k( 120) = ( 0.6709155 0.5000000 0.3290845), wk = 0.0027855 k( 121) = ( 0.6655744 0.5000000 0.3344256), wk = 0.0027855 k( 122) = ( 0.6602333 0.5000000 0.3397667), wk = 0.0027855 k( 123) = ( 0.6548922 0.5000000 0.3451078), wk = 0.0027855 k( 124) = ( 0.6495511 0.5000000 0.3504489), wk = 0.0027855 k( 125) = ( 0.6442100 0.5000000 0.3557901), wk = 0.0027855 k( 126) = ( 0.6388688 0.5000000 0.3611312), wk = 0.0027855 k( 127) = ( 0.6335277 0.5000000 0.3664723), wk = 0.0027855 k( 128) = ( 0.6281866 0.5000000 0.3718134), wk = 0.0027855 k( 129) = ( 0.6228455 0.5000000 0.3771545), wk = 0.0027855 k( 130) = ( 0.6175044 0.5000000 0.3824956), wk = 0.0027855 k( 131) = ( 0.6121633 0.5000000 0.3878367), wk = 0.0027855 k( 132) = ( 0.6068222 0.5000000 0.3931778), wk = 0.0027855 k( 133) = ( 0.6014811 0.5000000 0.3985189), wk = 0.0027855 k( 134) = ( 0.5961400 0.5000000 0.4038600), wk = 0.0027855 k( 135) = ( 0.5907989 0.5000000 0.4092011), wk = 0.0027855 k( 136) = ( 0.5854577 0.5000000 0.4145422), wk = 0.0027855 k( 137) = ( 0.5801166 0.5000000 0.4198834), wk = 0.0027855 k( 138) = ( 0.5747755 0.5000000 0.4252245), wk = 0.0027855 k( 139) = ( 0.5694344 0.5000000 0.4305656), wk = 0.0027855 k( 140) = ( 0.5640933 0.5000000 0.4359067), wk = 0.0027855 k( 141) = ( 0.5587522 0.5000000 0.4412478), wk = 0.0027855 k( 142) = ( 0.5534111 0.5000000 0.4465889), wk = 0.0027855 k( 143) = ( 0.5480700 0.5000000 0.4519300), wk = 0.0027855 k( 144) = ( 0.5427289 0.5000000 0.4572711), wk = 0.0027855 k( 145) = ( 0.5373878 0.5000000 0.4626122), wk = 0.0027855 k( 146) = ( 0.5320467 0.5000000 0.4679533), wk = 0.0027855 k( 147) = ( 0.5267055 0.5000000 0.4732944), wk = 0.0027855 k( 148) = ( 0.5213644 0.5000000 0.4786356), wk = 0.0027855 k( 149) = ( 0.5160233 0.5000000 0.4839767), wk = 0.0027855 k( 150) = ( 0.5106822 0.5000000 0.4893178), wk = 0.0027855 k( 151) = ( 0.5053411 0.5000000 0.4946589), wk = 0.0027855 k( 152) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 154) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027855 k( 155) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027855 k( 156) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027855 k( 157) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027855 k( 158) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027855 k( 159) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027855 k( 160) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027855 k( 161) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0027855 k( 162) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027855 k( 163) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027855 k( 164) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027855 k( 165) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027855 k( 166) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027855 k( 167) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027855 k( 168) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027855 k( 169) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027855 k( 170) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027855 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027855 k( 172) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0027855 k( 173) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027855 k( 174) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027855 k( 175) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027855 k( 176) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027855 k( 177) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027855 k( 178) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027855 k( 179) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027855 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 182) = ( 0.0053506 -0.0000000 -0.0053506), wk = 0.0027855 k( 183) = ( 0.0107012 -0.0000000 -0.0107012), wk = 0.0027855 k( 184) = ( 0.0160518 0.0000000 -0.0160518), wk = 0.0027855 k( 185) = ( 0.0214023 0.0000000 -0.0214023), wk = 0.0027855 k( 186) = ( 0.0267529 0.0000000 -0.0267529), wk = 0.0027855 k( 187) = ( 0.0321035 -0.0000000 -0.0321035), wk = 0.0027855 k( 188) = ( 0.0374541 0.0000000 -0.0374541), wk = 0.0027855 k( 189) = ( 0.0428047 0.0000000 -0.0428047), wk = 0.0027855 k( 190) = ( 0.0481552 -0.0000000 -0.0481552), wk = 0.0027855 k( 191) = ( 0.0535058 0.0000000 -0.0535058), wk = 0.0027855 k( 192) = ( 0.0588564 -0.0000000 -0.0588564), wk = 0.0027855 k( 193) = ( 0.0642070 0.0000000 -0.0642070), wk = 0.0027855 k( 194) = ( 0.0695576 0.0000000 -0.0695576), wk = 0.0027855 k( 195) = ( 0.0749082 0.0000000 -0.0749082), wk = 0.0027855 k( 196) = ( 0.0802587 -0.0000000 -0.0802587), wk = 0.0027855 k( 197) = ( 0.0856093 0.0000000 -0.0856093), wk = 0.0027855 k( 198) = ( 0.0909599 -0.0000000 -0.0909599), wk = 0.0027855 k( 199) = ( 0.0963105 -0.0000000 -0.0963105), wk = 0.0027855 k( 200) = ( 0.1016611 -0.0000000 -0.1016611), wk = 0.0027855 k( 201) = ( 0.1070116 -0.0000000 -0.1070116), wk = 0.0027855 k( 202) = ( 0.1123622 0.0000000 -0.1123622), wk = 0.0027855 k( 203) = ( 0.1177128 0.0000000 -0.1177128), wk = 0.0027855 k( 204) = ( 0.1230634 0.0000000 -0.1230634), wk = 0.0027855 k( 205) = ( 0.1284140 0.0000000 -0.1284140), wk = 0.0027855 k( 206) = ( 0.1337646 0.0000000 -0.1337646), wk = 0.0027855 k( 207) = ( 0.1391151 0.0000000 -0.1391151), wk = 0.0027855 k( 208) = ( 0.1444657 0.0000000 -0.1444657), wk = 0.0027855 k( 209) = ( 0.1498163 -0.0000000 -0.1498163), wk = 0.0027855 k( 210) = ( 0.1551669 0.0000000 -0.1551669), wk = 0.0027855 k( 211) = ( 0.1605175 0.0000000 -0.1605175), wk = 0.0027855 k( 212) = ( 0.1658681 0.0000000 -0.1658681), wk = 0.0027855 k( 213) = ( 0.1712186 0.0000000 -0.1712186), wk = 0.0027855 k( 214) = ( 0.1765692 -0.0000000 -0.1765692), wk = 0.0027855 k( 215) = ( 0.1819198 -0.0000000 -0.1819198), wk = 0.0027855 k( 216) = ( 0.1872704 0.0000000 -0.1872704), wk = 0.0027855 k( 217) = ( 0.1926210 0.0000000 -0.1926210), wk = 0.0027855 k( 218) = ( 0.1979715 0.0000000 -0.1979715), wk = 0.0027855 k( 219) = ( 0.2033221 0.0000000 -0.2033221), wk = 0.0027855 k( 220) = ( 0.2086727 0.0000000 -0.2086727), wk = 0.0027855 k( 221) = ( 0.2140233 -0.0000000 -0.2140233), wk = 0.0027855 k( 222) = ( 0.2193739 -0.0000000 -0.2193739), wk = 0.0027855 k( 223) = ( 0.2247245 0.0000000 -0.2247245), wk = 0.0027855 k( 224) = ( 0.2300750 0.0000000 -0.2300750), wk = 0.0027855 k( 225) = ( 0.2354256 -0.0000000 -0.2354256), wk = 0.0027855 k( 226) = ( 0.2407762 0.0000000 -0.2407762), wk = 0.0027855 k( 227) = ( 0.2461268 0.0000000 -0.2461268), wk = 0.0027855 k( 228) = ( 0.2514774 -0.0000000 -0.2514774), wk = 0.0027855 k( 229) = ( 0.2568280 0.0000000 -0.2568280), wk = 0.0027855 k( 230) = ( 0.2621785 0.0000000 -0.2621785), wk = 0.0027855 k( 231) = ( 0.2675291 0.0000000 -0.2675291), wk = 0.0027855 k( 232) = ( 0.2728797 0.0000000 -0.2728797), wk = 0.0027855 k( 233) = ( 0.2782303 0.0000000 -0.2782303), wk = 0.0027855 k( 234) = ( 0.2835809 -0.0000000 -0.2835809), wk = 0.0027855 k( 235) = ( 0.2889314 -0.0000000 -0.2889315), wk = 0.0027855 k( 236) = ( 0.2942820 0.0000000 -0.2942820), wk = 0.0027855 k( 237) = ( 0.2996326 -0.0000000 -0.2996326), wk = 0.0027855 k( 238) = ( 0.3049832 -0.0000000 -0.3049832), wk = 0.0027855 k( 239) = ( 0.3103338 0.0000000 -0.3103338), wk = 0.0027855 k( 240) = ( 0.3156844 0.0000000 -0.3156844), wk = 0.0027855 k( 241) = ( 0.3210349 0.0000000 -0.3210350), wk = 0.0027855 k( 242) = ( 0.3263855 0.0000000 -0.3263855), wk = 0.0027855 k( 243) = ( 0.3317361 -0.0000000 -0.3317361), wk = 0.0027855 k( 244) = ( 0.3370867 -0.0000000 -0.3370867), wk = 0.0027855 k( 245) = ( 0.3424373 0.0000000 -0.3424373), wk = 0.0027855 k( 246) = ( 0.6575627 0.3424373 -0.0000000), wk = 0.0027855 k( 247) = ( 0.6523106 0.3476894 -0.0000000), wk = 0.0027855 k( 248) = ( 0.6470585 0.3529415 0.0000000), wk = 0.0027855 k( 249) = ( 0.6418065 0.3581936 0.0000000), wk = 0.0027855 k( 250) = ( 0.6365544 0.3634456 -0.0000000), wk = 0.0027855 k( 251) = ( 0.6313023 0.3686977 -0.0000000), wk = 0.0027855 k( 252) = ( 0.6260502 0.3739498 -0.0000000), wk = 0.0027855 k( 253) = ( 0.6207981 0.3792019 -0.0000000), wk = 0.0027855 k( 254) = ( 0.6155460 0.3844540 -0.0000000), wk = 0.0027855 k( 255) = ( 0.6102939 0.3897061 -0.0000000), wk = 0.0027855 k( 256) = ( 0.6050418 0.3949582 0.0000000), wk = 0.0027855 k( 257) = ( 0.5997897 0.4002103 -0.0000000), wk = 0.0027855 k( 258) = ( 0.5945376 0.4054624 -0.0000000), wk = 0.0027855 k( 259) = ( 0.5892855 0.4107145 0.0000000), wk = 0.0027855 k( 260) = ( 0.5840334 0.4159666 -0.0000000), wk = 0.0027855 k( 261) = ( 0.5787814 0.4212186 -0.0000000), wk = 0.0027855 k( 262) = ( 0.5735293 0.4264707 0.0000000), wk = 0.0027855 k( 263) = ( 0.5682772 0.4317228 -0.0000000), wk = 0.0027855 k( 264) = ( 0.5630251 0.4369749 -0.0000000), wk = 0.0027855 k( 265) = ( 0.5577730 0.4422270 -0.0000000), wk = 0.0027855 k( 266) = ( 0.5525209 0.4474791 -0.0000000), wk = 0.0027855 k( 267) = ( 0.5472688 0.4527312 -0.0000000), wk = 0.0027855 k( 268) = ( 0.5420167 0.4579833 0.0000000), wk = 0.0027855 k( 269) = ( 0.5367646 0.4632354 -0.0000000), wk = 0.0027855 k( 270) = ( 0.5315125 0.4684875 -0.0000000), wk = 0.0027855 k( 271) = ( 0.5262604 0.4737396 -0.0000000), wk = 0.0027855 k( 272) = ( 0.5210084 0.4789916 0.0000000), wk = 0.0027855 k( 273) = ( 0.5157563 0.4842437 -0.0000000), wk = 0.0027855 k( 274) = ( 0.5105042 0.4894958 -0.0000000), wk = 0.0027855 k( 275) = ( 0.5052521 0.4947479 0.0000000), wk = 0.0027855 k( 276) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 277) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 278) = ( 0.5157563 0.5157563 0.0184875), wk = 0.0027855 k( 279) = ( 0.5315125 0.5315125 0.0369749), wk = 0.0027855 k( 280) = ( 0.5472688 0.5472688 0.0554624), wk = 0.0027855 k( 281) = ( 0.5630251 0.5630251 0.0739498), wk = 0.0027855 k( 282) = ( 0.5787814 0.5787814 0.0924373), wk = 0.0027855 k( 283) = ( 0.5945376 0.5945376 0.1109247), wk = 0.0027855 k( 284) = ( 0.6102939 0.6102939 0.1294122), wk = 0.0027855 k( 285) = ( 0.6260502 0.6260502 0.1478996), wk = 0.0027855 k( 286) = ( 0.6418065 0.6418065 0.1663871), wk = 0.0027855 k( 287) = ( 0.6575627 0.6575627 0.1848746), wk = 0.0027855 k( 288) = ( 0.6575627 0.6575627 0.1848746), wk = 0.0027855 k( 289) = ( 0.6544733 0.6544733 0.1910535), wk = 0.0027855 k( 290) = ( 0.6513838 0.6513838 0.1972324), wk = 0.0027855 k( 291) = ( 0.6482943 0.6482943 0.2034113), wk = 0.0027855 k( 292) = ( 0.6452049 0.6452049 0.2095903), wk = 0.0027855 k( 293) = ( 0.6421154 0.6421154 0.2157692), wk = 0.0027855 k( 294) = ( 0.6390259 0.6390259 0.2219481), wk = 0.0027855 k( 295) = ( 0.6359365 0.6359365 0.2281271), wk = 0.0027855 k( 296) = ( 0.6328470 0.6328470 0.2343060), wk = 0.0027855 k( 297) = ( 0.6297575 0.6297575 0.2404849), wk = 0.0027855 k( 298) = ( 0.6266681 0.6266681 0.2466639), wk = 0.0027855 k( 299) = ( 0.6235786 0.6235786 0.2528428), wk = 0.0027855 k( 300) = ( 0.6204891 0.6204891 0.2590217), wk = 0.0027855 k( 301) = ( 0.6173997 0.6173997 0.2652006), wk = 0.0027855 k( 302) = ( 0.6143102 0.6143102 0.2713796), wk = 0.0027855 k( 303) = ( 0.6112207 0.6112208 0.2775585), wk = 0.0027855 k( 304) = ( 0.6081313 0.6081313 0.2837374), wk = 0.0027855 k( 305) = ( 0.6050418 0.6050418 0.2899164), wk = 0.0027855 k( 306) = ( 0.6019524 0.6019524 0.2960953), wk = 0.0027855 k( 307) = ( 0.5988629 0.5988629 0.3022742), wk = 0.0027855 k( 308) = ( 0.5957734 0.5957734 0.3084532), wk = 0.0027855 k( 309) = ( 0.5926840 0.5926840 0.3146321), wk = 0.0027855 k( 310) = ( 0.5895945 0.5895945 0.3208110), wk = 0.0027855 k( 311) = ( 0.5865050 0.5865050 0.3269899), wk = 0.0027855 k( 312) = ( 0.5834156 0.5834156 0.3331689), wk = 0.0027855 k( 313) = ( 0.5803261 0.5803261 0.3393478), wk = 0.0027855 k( 314) = ( 0.5772366 0.5772366 0.3455267), wk = 0.0027855 k( 315) = ( 0.5741472 0.5741472 0.3517057), wk = 0.0027855 k( 316) = ( 0.5710577 0.5710577 0.3578846), wk = 0.0027855 k( 317) = ( 0.5679682 0.5679682 0.3640635), wk = 0.0027855 k( 318) = ( 0.5648788 0.5648788 0.3702425), wk = 0.0027855 k( 319) = ( 0.5617893 0.5617893 0.3764214), wk = 0.0027855 k( 320) = ( 0.5586998 0.5586998 0.3826003), wk = 0.0027855 k( 321) = ( 0.5556104 0.5556104 0.3887792), wk = 0.0027855 k( 322) = ( 0.5525209 0.5525209 0.3949582), wk = 0.0027855 k( 323) = ( 0.5494314 0.5494314 0.4011371), wk = 0.0027855 k( 324) = ( 0.5463420 0.5463420 0.4073160), wk = 0.0027855 k( 325) = ( 0.5432525 0.5432525 0.4134950), wk = 0.0027855 k( 326) = ( 0.5401630 0.5401630 0.4196739), wk = 0.0027855 k( 327) = ( 0.5370736 0.5370736 0.4258528), wk = 0.0027855 k( 328) = ( 0.5339841 0.5339841 0.4320318), wk = 0.0027855 k( 329) = ( 0.5308947 0.5308947 0.4382107), wk = 0.0027855 k( 330) = ( 0.5278052 0.5278052 0.4443896), wk = 0.0027855 k( 331) = ( 0.5247157 0.5247157 0.4505686), wk = 0.0027855 k( 332) = ( 0.5216263 0.5216263 0.4567475), wk = 0.0027855 k( 333) = ( 0.5185368 0.5185368 0.4629264), wk = 0.0027855 k( 334) = ( 0.5154473 0.5154473 0.4691054), wk = 0.0027855 k( 335) = ( 0.5123579 0.5123579 0.4752843), wk = 0.0027855 k( 336) = ( 0.5092684 0.5092684 0.4814632), wk = 0.0027855 k( 337) = ( 0.5061789 0.5061789 0.4876421), wk = 0.0027855 k( 338) = ( 0.5030895 0.5030895 0.4938211), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 340) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027855 k( 341) = ( 0.5165855 0.0180230 0.0180230), wk = 0.0027855 k( 342) = ( 0.5331711 0.0360460 0.0360460), wk = 0.0027855 k( 343) = ( 0.5497566 0.0540690 0.0540690), wk = 0.0027855 k( 344) = ( 0.5663422 0.0720921 0.0720921), wk = 0.0027855 k( 345) = ( 0.5829277 0.0901151 0.0901151), wk = 0.0027855 k( 346) = ( 0.5995133 0.1081381 0.1081381), wk = 0.0027855 k( 347) = ( 0.6160988 0.1261611 0.1261611), wk = 0.0027855 k( 348) = ( 0.6326844 0.1441841 0.1441841), wk = 0.0027855 k( 349) = ( 0.6492699 0.1622071 0.1622071), wk = 0.0027855 k( 350) = ( 0.6658555 0.1802302 0.1802302), wk = 0.0027855 k( 351) = ( 0.6824410 0.1982532 0.1982532), wk = 0.0027855 k( 352) = ( 0.6990266 0.2162762 0.2162762), wk = 0.0027855 k( 353) = ( 0.7156122 0.2342992 0.2342992), wk = 0.0027855 k( 354) = ( 0.7321977 0.2523222 0.2523222), wk = 0.0027855 k( 355) = ( 0.7487833 0.2703452 0.2703452), wk = 0.0027855 k( 356) = ( 0.7653688 0.2883682 0.2883682), wk = 0.0027855 k( 357) = ( 0.7819544 0.3063913 0.3063913), wk = 0.0027855 k( 358) = ( 0.7985399 0.3244143 0.3244143), wk = 0.0027855 k( 359) = ( 0.8151255 0.3424373 0.3424373), wk = 0.0027855 Dense grid: 38025 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 18711 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 128, 32) NL pseudopotentials 0.08 Mb ( 64, 78) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1058) G-vector shells 0.01 Mb ( 911) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 128, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.08 Mb ( 78, 2, 32) The potential is recalculated from file : ./SrZrN2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.7 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.3 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.2 secs Computing kpt #: 19 total cpu time spent up to now is 8.5 secs Computing kpt #: 20 total cpu time spent up to now is 8.8 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.3 secs Computing kpt #: 29 total cpu time spent up to now is 11.7 secs Computing kpt #: 30 total cpu time spent up to now is 12.0 secs Computing kpt #: 31 total cpu time spent up to now is 12.3 secs Computing kpt #: 32 total cpu time spent up to now is 12.6 secs Computing kpt #: 33 total cpu time spent up to now is 12.9 secs Computing kpt #: 34 total cpu time spent up to now is 13.2 secs Computing kpt #: 35 total cpu time spent up to now is 13.5 secs Computing kpt #: 36 total cpu time spent up to now is 13.8 secs Computing kpt #: 37 total cpu time spent up to now is 14.1 secs Computing kpt #: 38 total cpu time spent up to now is 14.4 secs Computing kpt #: 39 total cpu time spent up to now is 14.7 secs Computing kpt #: 40 total cpu time spent up to now is 15.0 secs Computing kpt #: 41 total cpu time spent up to now is 15.3 secs Computing kpt #: 42 total cpu time spent up to now is 15.6 secs Computing kpt #: 43 total cpu time spent up to now is 15.9 secs Computing kpt #: 44 total cpu time spent up to now is 16.2 secs Computing kpt #: 45 total cpu time spent up to now is 16.5 secs Computing kpt #: 46 total cpu time spent up to now is 16.8 secs Computing kpt #: 47 total cpu time spent up to now is 17.1 secs Computing kpt #: 48 total cpu time spent up to now is 17.4 secs Computing kpt #: 49 total cpu time spent up to now is 17.7 secs Computing kpt #: 50 total cpu time spent up to now is 18.0 secs Computing kpt #: 51 total cpu time spent up to now is 18.3 secs Computing kpt #: 52 total cpu time spent up to now is 18.6 secs Computing kpt #: 53 total cpu time spent up to now is 18.9 secs Computing kpt #: 54 total cpu time spent up to now is 19.2 secs Computing kpt #: 55 total cpu time spent up to now is 19.5 secs Computing kpt #: 56 total cpu time spent up to now is 19.8 secs Computing kpt #: 57 total cpu time spent up to now is 20.1 secs Computing kpt #: 58 total cpu time spent up to now is 20.4 secs Computing kpt #: 59 total cpu time spent up to now is 20.7 secs Computing kpt #: 60 total cpu time spent up to now is 21.0 secs Computing kpt #: 61 total cpu time spent up to now is 21.3 secs Computing kpt #: 62 total cpu time spent up to now is 21.6 secs Computing kpt #: 63 total cpu time spent up to now is 21.9 secs Computing kpt #: 64 total cpu time spent up to now is 22.2 secs Computing kpt #: 65 total cpu time spent up to now is 22.5 secs Computing kpt #: 66 total cpu time spent up to now is 22.8 secs Computing kpt #: 67 total cpu time spent up to now is 23.1 secs Computing kpt #: 68 total cpu time spent up to now is 23.4 secs Computing kpt #: 69 total cpu time spent up to now is 23.7 secs Computing kpt #: 70 total cpu time spent up to now is 24.0 secs Computing kpt #: 71 total cpu time spent up to now is 24.3 secs Computing kpt #: 72 total cpu time spent up to now is 24.6 secs Computing kpt #: 73 total cpu time spent up to now is 24.8 secs Computing kpt #: 74 total cpu time spent up to now is 25.1 secs Computing kpt #: 75 total cpu time spent up to now is 25.4 secs Computing kpt #: 76 total cpu time spent up to now is 25.7 secs Computing kpt #: 77 total cpu time spent up to now is 26.0 secs Computing kpt #: 78 total cpu time spent up to now is 26.3 secs Computing kpt #: 79 total cpu time spent up to now is 26.6 secs Computing kpt #: 80 total cpu time spent up to now is 27.1 secs Computing kpt #: 81 total cpu time spent up to now is 27.4 secs Computing kpt #: 82 total cpu time spent up to now is 27.7 secs Computing kpt #: 83 total cpu time spent up to now is 28.0 secs Computing kpt #: 84 total cpu time spent up to now is 28.3 secs Computing kpt #: 85 total cpu time spent up to now is 28.6 secs Computing kpt #: 86 total cpu time spent up to now is 28.9 secs Computing kpt #: 87 total cpu time spent up to now is 29.2 secs Computing kpt #: 88 total cpu time spent up to now is 29.5 secs Computing kpt #: 89 total cpu time spent up to now is 29.8 secs Computing kpt #: 90 total cpu time spent up to now is 30.2 secs Computing kpt #: 91 total cpu time spent up to now is 30.5 secs Computing kpt #: 92 total cpu time spent up to now is 30.8 secs Computing kpt #: 93 total cpu time spent up to now is 31.1 secs Computing kpt #: 94 total cpu time spent up to now is 31.4 secs Computing kpt #: 95 total cpu time spent up to now is 31.7 secs Computing kpt #: 96 total cpu time spent up to now is 32.1 secs Computing kpt #: 97 total cpu time spent up to now is 32.4 secs Computing kpt #: 98 total cpu time spent up to now is 32.8 secs Computing kpt #: 99 total cpu time spent up to now is 33.1 secs Computing kpt #: 100 total cpu time spent up to now is 33.4 secs Computing kpt #: 101 total cpu time spent up to now is 33.8 secs Computing kpt #: 102 total cpu time spent up to now is 34.1 secs Computing kpt #: 103 total cpu time spent up to now is 34.4 secs Computing kpt #: 104 total cpu time spent up to now is 34.8 secs Computing kpt #: 105 total cpu time spent up to now is 35.1 secs Computing kpt #: 106 total cpu time spent up to now is 35.4 secs Computing kpt #: 107 total cpu time spent up to now is 35.7 secs Computing kpt #: 108 total cpu time spent up to now is 36.1 secs Computing kpt #: 109 total cpu time spent up to now is 36.5 secs Computing kpt #: 110 total cpu time spent up to now is 36.8 secs Computing kpt #: 111 total cpu time spent up to now is 37.1 secs Computing kpt #: 112 total cpu time spent up to now is 37.4 secs Computing kpt #: 113 total cpu time spent up to now is 37.7 secs Computing kpt #: 114 total cpu time spent up to now is 38.0 secs Computing kpt #: 115 total cpu time spent up to now is 38.3 secs Computing kpt #: 116 total cpu time spent up to now is 38.6 secs Computing kpt #: 117 total cpu time spent up to now is 39.0 secs Computing kpt #: 118 total cpu time spent up to now is 39.3 secs Computing kpt #: 119 total cpu time spent up to now is 39.6 secs Computing kpt #: 120 total cpu time spent up to now is 39.9 secs Computing kpt #: 121 total cpu time spent up to now is 40.2 secs Computing kpt #: 122 total cpu time spent up to now is 40.5 secs Computing kpt #: 123 total cpu time spent up to now is 40.8 secs Computing kpt #: 124 total cpu time spent up to now is 41.1 secs Computing kpt #: 125 total cpu time spent up to now is 41.4 secs Computing kpt #: 126 total cpu time spent up to now is 41.7 secs Computing kpt #: 127 total cpu time spent up to now is 42.1 secs Computing kpt #: 128 total cpu time spent up to now is 42.4 secs Computing kpt #: 129 total cpu time spent up to now is 42.7 secs Computing kpt #: 130 total cpu time spent up to now is 43.0 secs Computing kpt #: 131 total cpu time spent up to now is 43.3 secs Computing kpt #: 132 total cpu time spent up to now is 43.6 secs Computing kpt #: 133 total cpu time spent up to now is 43.9 secs Computing kpt #: 134 total cpu time spent up to now is 44.3 secs Computing kpt #: 135 total cpu time spent up to now is 44.6 secs Computing kpt #: 136 total cpu time spent up to now is 44.9 secs Computing kpt #: 137 total cpu time spent up to now is 45.2 secs Computing kpt #: 138 total cpu time spent up to now is 45.5 secs Computing kpt #: 139 total cpu time spent up to now is 45.8 secs Computing kpt #: 140 total cpu time spent up to now is 46.1 secs Computing kpt #: 141 total cpu time spent up to now is 46.4 secs Computing kpt #: 142 total cpu time spent up to now is 46.8 secs Computing kpt #: 143 total cpu time spent up to now is 47.1 secs Computing kpt #: 144 total cpu time spent up to now is 47.4 secs Computing kpt #: 145 total cpu time spent up to now is 47.7 secs Computing kpt #: 146 total cpu time spent up to now is 48.0 secs Computing kpt #: 147 total cpu time spent up to now is 48.3 secs Computing kpt #: 148 total cpu time spent up to now is 48.6 secs Computing kpt #: 149 total cpu time spent up to now is 48.9 secs Computing kpt #: 150 total cpu time spent up to now is 49.2 secs Computing kpt #: 151 total cpu time spent up to now is 49.5 secs Computing kpt #: 152 total cpu time spent up to now is 49.8 secs Computing kpt #: 153 total cpu time spent up to now is 50.1 secs Computing kpt #: 154 total cpu time spent up to now is 50.4 secs Computing kpt #: 155 total cpu time spent up to now is 50.7 secs Computing kpt #: 156 total cpu time spent up to now is 50.9 secs Computing kpt #: 157 total cpu time spent up to now is 51.2 secs Computing kpt #: 158 total cpu time spent up to now is 51.5 secs Computing kpt #: 159 total cpu time spent up to now is 51.8 secs Computing kpt #: 160 total cpu time spent up to now is 52.1 secs Computing kpt #: 161 total cpu time spent up to now is 52.4 secs Computing kpt #: 162 total cpu time spent up to now is 52.7 secs Computing kpt #: 163 total cpu time spent up to now is 53.0 secs Computing kpt #: 164 total cpu time spent up to now is 53.3 secs Computing kpt #: 165 total cpu time spent up to now is 53.6 secs Computing kpt #: 166 total cpu time spent up to now is 53.9 secs Computing kpt #: 167 total cpu time spent up to now is 54.2 secs Computing kpt #: 168 total cpu time spent up to now is 54.5 secs Computing kpt #: 169 total cpu time spent up to now is 54.8 secs Computing kpt #: 170 total cpu time spent up to now is 55.1 secs Computing kpt #: 171 total cpu time spent up to now is 55.4 secs Computing kpt #: 172 total cpu time spent up to now is 55.7 secs Computing kpt #: 173 total cpu time spent up to now is 56.0 secs Computing kpt #: 174 total cpu time spent up to now is 56.3 secs Computing kpt #: 175 total cpu time spent up to now is 56.6 secs Computing kpt #: 176 total cpu time spent up to now is 56.9 secs Computing kpt #: 177 total cpu time spent up to now is 57.2 secs Computing kpt #: 178 total cpu time spent up to now is 57.5 secs Computing kpt #: 179 total cpu time spent up to now is 57.8 secs Computing kpt #: 180 total cpu time spent up to now is 58.1 secs Computing kpt #: 181 total cpu time spent up to now is 58.4 secs Computing kpt #: 182 total cpu time spent up to now is 58.7 secs Computing kpt #: 183 total cpu time spent up to now is 59.0 secs Computing kpt #: 184 total cpu time spent up to now is 59.3 secs Computing kpt #: 185 total cpu time spent up to now is 59.6 secs Computing kpt #: 186 total cpu time spent up to now is 59.9 secs Computing kpt #: 187 total cpu time spent up to now is 60.2 secs Computing kpt #: 188 total cpu time spent up to now is 60.5 secs Computing kpt #: 189 total cpu time spent up to now is 60.8 secs Computing kpt #: 190 total cpu time spent up to now is 61.1 secs Computing kpt #: 191 total cpu time spent up to now is 61.4 secs Computing kpt #: 192 total cpu time spent up to now is 61.7 secs Computing kpt #: 193 total cpu time spent up to now is 62.0 secs Computing kpt #: 194 total cpu time spent up to now is 62.3 secs Computing kpt #: 195 total cpu time spent up to now is 62.6 secs Computing kpt #: 196 total cpu time spent up to now is 62.9 secs Computing kpt #: 197 total cpu time spent up to now is 63.2 secs Computing kpt #: 198 total cpu time spent up to now is 63.6 secs Computing kpt #: 199 total cpu time spent up to now is 63.9 secs Computing kpt #: 200 total cpu time spent up to now is 64.3 secs Computing kpt #: 201 total cpu time spent up to now is 64.8 secs Computing kpt #: 202 total cpu time spent up to now is 65.2 secs Computing kpt #: 203 total cpu time spent up to now is 65.8 secs Computing kpt #: 204 total cpu time spent up to now is 66.3 secs Computing kpt #: 205 total cpu time spent up to now is 66.8 secs Computing kpt #: 206 total cpu time spent up to now is 67.3 secs Computing kpt #: 207 total cpu time spent up to now is 67.7 secs Computing kpt #: 208 total cpu time spent up to now is 68.2 secs Computing kpt #: 209 total cpu time spent up to now is 68.6 secs Computing kpt #: 210 total cpu time spent up to now is 69.0 secs Computing kpt #: 211 total cpu time spent up to now is 69.4 secs Computing kpt #: 212 total cpu time spent up to now is 69.7 secs Computing kpt #: 213 total cpu time spent up to now is 70.0 secs Computing kpt #: 214 total cpu time spent up to now is 70.3 secs Computing kpt #: 215 total cpu time spent up to now is 70.6 secs Computing kpt #: 216 total cpu time spent up to now is 70.9 secs Computing kpt #: 217 total cpu time spent up to now is 71.3 secs Computing kpt #: 218 total cpu time spent up to now is 71.6 secs Computing kpt #: 219 total cpu time spent up to now is 71.9 secs Computing kpt #: 220 total cpu time spent up to now is 72.2 secs Computing kpt #: 221 total cpu time spent up to now is 72.5 secs Computing kpt #: 222 total cpu time spent up to now is 72.8 secs Computing kpt #: 223 total cpu time spent up to now is 73.1 secs Computing kpt #: 224 total cpu time spent up to now is 73.4 secs Computing kpt #: 225 total cpu time spent up to now is 73.7 secs Computing kpt #: 226 total cpu time spent up to now is 74.1 secs Computing kpt #: 227 total cpu time spent up to now is 74.4 secs Computing kpt #: 228 total cpu time spent up to now is 74.7 secs Computing kpt #: 229 total cpu time spent up to now is 75.0 secs Computing kpt #: 230 total cpu time spent up to now is 75.3 secs Computing kpt #: 231 total cpu time spent up to now is 75.6 secs Computing kpt #: 232 total cpu time spent up to now is 75.9 secs Computing kpt #: 233 total cpu time spent up to now is 76.2 secs Computing kpt #: 234 total cpu time spent up to now is 76.5 secs Computing kpt #: 235 total cpu time spent up to now is 76.8 secs Computing kpt #: 236 total cpu time spent up to now is 77.1 secs Computing kpt #: 237 total cpu time spent up to now is 77.4 secs Computing kpt #: 238 total cpu time spent up to now is 77.8 secs Computing kpt #: 239 total cpu time spent up to now is 78.1 secs Computing kpt #: 240 total cpu time spent up to now is 78.4 secs Computing kpt #: 241 total cpu time spent up to now is 78.7 secs Computing kpt #: 242 total cpu time spent up to now is 79.0 secs Computing kpt #: 243 total cpu time spent up to now is 79.3 secs Computing kpt #: 244 total cpu time spent up to now is 79.6 secs Computing kpt #: 245 total cpu time spent up to now is 79.9 secs Computing kpt #: 246 total cpu time spent up to now is 80.2 secs Computing kpt #: 247 total cpu time spent up to now is 80.6 secs Computing kpt #: 248 total cpu time spent up to now is 80.9 secs Computing kpt #: 249 total cpu time spent up to now is 81.2 secs Computing kpt #: 250 total cpu time spent up to now is 81.5 secs Computing kpt #: 251 total cpu time spent up to now is 81.9 secs Computing kpt #: 252 total cpu time spent up to now is 82.2 secs Computing kpt #: 253 total cpu time spent up to now is 82.5 secs Computing kpt #: 254 total cpu time spent up to now is 82.8 secs Computing kpt #: 255 total cpu time spent up to now is 83.1 secs Computing kpt #: 256 total cpu time spent up to now is 83.4 secs Computing kpt #: 257 total cpu time spent up to now is 83.7 secs Computing kpt #: 258 total cpu time spent up to now is 84.0 secs Computing kpt #: 259 total cpu time spent up to now is 84.4 secs Computing kpt #: 260 total cpu time spent up to now is 84.7 secs Computing kpt #: 261 total cpu time spent up to now is 85.0 secs Computing kpt #: 262 total cpu time spent up to now is 85.3 secs Computing kpt #: 263 total cpu time spent up to now is 85.6 secs Computing kpt #: 264 total cpu time spent up to now is 85.9 secs Computing kpt #: 265 total cpu time spent up to now is 86.2 secs Computing kpt #: 266 total cpu time spent up to now is 86.5 secs Computing kpt #: 267 total cpu time spent up to now is 86.8 secs Computing kpt #: 268 total cpu time spent up to now is 87.1 secs Computing kpt #: 269 total cpu time spent up to now is 87.4 secs Computing kpt #: 270 total cpu time spent up to now is 87.7 secs Computing kpt #: 271 total cpu time spent up to now is 88.0 secs Computing kpt #: 272 total cpu time spent up to now is 88.3 secs Computing kpt #: 273 total cpu time spent up to now is 88.6 secs Computing kpt #: 274 total cpu time spent up to now is 88.9 secs Computing kpt #: 275 total cpu time spent up to now is 89.2 secs Computing kpt #: 276 total cpu time spent up to now is 89.5 secs Computing kpt #: 277 total cpu time spent up to now is 89.8 secs Computing kpt #: 278 total cpu time spent up to now is 90.1 secs Computing kpt #: 279 total cpu time spent up to now is 90.4 secs Computing kpt #: 280 total cpu time spent up to now is 90.7 secs Computing kpt #: 281 total cpu time spent up to now is 91.0 secs Computing kpt #: 282 total cpu time spent up to now is 91.3 secs Computing kpt #: 283 total cpu time spent up to now is 91.6 secs Computing kpt #: 284 total cpu time spent up to now is 91.9 secs Computing kpt #: 285 total cpu time spent up to now is 92.3 secs Computing kpt #: 286 total cpu time spent up to now is 92.6 secs Computing kpt #: 287 total cpu time spent up to now is 92.9 secs Computing kpt #: 288 total cpu time spent up to now is 93.2 secs Computing kpt #: 289 total cpu time spent up to now is 93.5 secs Computing kpt #: 290 total cpu time spent up to now is 93.8 secs Computing kpt #: 291 total cpu time spent up to now is 94.1 secs Computing kpt #: 292 total cpu time spent up to now is 94.4 secs Computing kpt #: 293 total cpu time spent up to now is 94.7 secs Computing kpt #: 294 total cpu time spent up to now is 95.0 secs Computing kpt #: 295 total cpu time spent up to now is 95.3 secs Computing kpt #: 296 total cpu time spent up to now is 95.6 secs Computing kpt #: 297 total cpu time spent up to now is 95.9 secs Computing kpt #: 298 total cpu time spent up to now is 96.2 secs Computing kpt #: 299 total cpu time spent up to now is 96.5 secs Computing kpt #: 300 total cpu time spent up to now is 96.8 secs Computing kpt #: 301 total cpu time spent up to now is 97.1 secs Computing kpt #: 302 total cpu time spent up to now is 97.5 secs Computing kpt #: 303 total cpu time spent up to now is 97.8 secs Computing kpt #: 304 total cpu time spent up to now is 98.1 secs Computing kpt #: 305 total cpu time spent up to now is 98.4 secs Computing kpt #: 306 total cpu time spent up to now is 98.7 secs Computing kpt #: 307 total cpu time spent up to now is 99.0 secs Computing kpt #: 308 total cpu time spent up to now is 99.3 secs Computing kpt #: 309 total cpu time spent up to now is 99.7 secs Computing kpt #: 310 total cpu time spent up to now is 100.0 secs Computing kpt #: 311 total cpu time spent up to now is 100.3 secs Computing kpt #: 312 total cpu time spent up to now is 100.7 secs Computing kpt #: 313 total cpu time spent up to now is 101.0 secs Computing kpt #: 314 total cpu time spent up to now is 101.3 secs Computing kpt #: 315 total cpu time spent up to now is 101.6 secs Computing kpt #: 316 total cpu time spent up to now is 101.9 secs Computing kpt #: 317 total cpu time spent up to now is 102.3 secs Computing kpt #: 318 total cpu time spent up to now is 102.6 secs Computing kpt #: 319 total cpu time spent up to now is 102.9 secs Computing kpt #: 320 total cpu time spent up to now is 103.2 secs Computing kpt #: 321 total cpu time spent up to now is 103.6 secs Computing kpt #: 322 total cpu time spent up to now is 103.9 secs Computing kpt #: 323 total cpu time spent up to now is 104.3 secs Computing kpt #: 324 total cpu time spent up to now is 104.6 secs Computing kpt #: 325 total cpu time spent up to now is 104.9 secs Computing kpt #: 326 total cpu time spent up to now is 105.2 secs Computing kpt #: 327 total cpu time spent up to now is 105.5 secs Computing kpt #: 328 total cpu time spent up to now is 105.9 secs Computing kpt #: 329 total cpu time spent up to now is 106.2 secs Computing kpt #: 330 total cpu time spent up to now is 106.5 secs Computing kpt #: 331 total cpu time spent up to now is 106.8 secs Computing kpt #: 332 total cpu time spent up to now is 107.1 secs Computing kpt #: 333 total cpu time spent up to now is 107.4 secs Computing kpt #: 334 total cpu time spent up to now is 107.7 secs Computing kpt #: 335 total cpu time spent up to now is 108.0 secs Computing kpt #: 336 total cpu time spent up to now is 108.3 secs Computing kpt #: 337 total cpu time spent up to now is 108.6 secs Computing kpt #: 338 total cpu time spent up to now is 108.9 secs Computing kpt #: 339 total cpu time spent up to now is 109.2 secs Computing kpt #: 340 total cpu time spent up to now is 109.5 secs Computing kpt #: 341 total cpu time spent up to now is 109.8 secs Computing kpt #: 342 total cpu time spent up to now is 110.1 secs Computing kpt #: 343 total cpu time spent up to now is 110.4 secs Computing kpt #: 344 total cpu time spent up to now is 110.7 secs Computing kpt #: 345 total cpu time spent up to now is 111.0 secs Computing kpt #: 346 total cpu time spent up to now is 111.3 secs Computing kpt #: 347 total cpu time spent up to now is 111.6 secs Computing kpt #: 348 total cpu time spent up to now is 111.9 secs Computing kpt #: 349 total cpu time spent up to now is 112.2 secs Computing kpt #: 350 total cpu time spent up to now is 112.5 secs Computing kpt #: 351 total cpu time spent up to now is 112.8 secs Computing kpt #: 352 total cpu time spent up to now is 113.1 secs Computing kpt #: 353 total cpu time spent up to now is 113.4 secs Computing kpt #: 354 total cpu time spent up to now is 113.7 secs Computing kpt #: 355 total cpu time spent up to now is 114.0 secs Computing kpt #: 356 total cpu time spent up to now is 114.3 secs Computing kpt #: 357 total cpu time spent up to now is 114.6 secs Computing kpt #: 358 total cpu time spent up to now is 114.9 secs Computing kpt #: 359 total cpu time spent up to now is 115.2 secs ethr = 4.17E-08, avg # of iterations = 16.5 total cpu time spent up to now is 115.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2329 PWs) bands (ev): -23.6418 -23.6418 -6.5348 -6.5348 -5.3505 -5.3505 -4.7904 -4.7904 -3.4532 -3.4532 -1.1743 -1.1743 5.7398 5.7398 7.1399 7.1399 7.1519 7.1519 10.0094 10.0094 10.1568 10.1568 10.1919 10.1919 12.3914 12.3914 12.4137 12.4137 12.4651 12.4651 13.8383 13.8383 k = 0.0091-0.0148-0.0090 ( 2327 PWs) bands (ev): -23.6417 -23.6417 -6.5347 -6.5347 -5.3512 -5.3512 -4.7916 -4.7916 -3.4514 -3.4514 -1.1755 -1.1755 5.7418 5.7418 7.1406 7.1406 7.1526 7.1526 10.0073 10.0073 10.1515 10.1515 10.1866 10.1866 12.3937 12.3937 12.4161 12.4161 12.4674 12.4674 13.8417 13.8417 k = 0.0182-0.0296-0.0180 ( 2329 PWs) bands (ev): -23.6412 -23.6412 -6.5343 -6.5343 -5.3533 -5.3533 -4.7954 -4.7954 -3.4461 -3.4461 -1.1790 -1.1790 5.7478 5.7478 7.1426 7.1426 7.1548 7.1548 10.0010 10.0010 10.1340 10.1340 10.1730 10.1730 12.3991 12.3991 12.4239 12.4239 12.4751 12.4751 13.8519 13.8519 k = 0.0273-0.0444-0.0270 ( 2324 PWs) bands (ev): -23.6404 -23.6404 -6.5336 -6.5336 -5.3569 -5.3569 -4.8016 -4.8016 -3.4373 -3.4373 -1.1847 -1.1847 5.7578 5.7578 7.1458 7.1458 7.1584 7.1584 9.9898 9.9898 10.1021 10.1021 10.1546 10.1546 12.4042 12.4042 12.4388 12.4388 12.4891 12.4891 13.8683 13.8683 k = 0.0364-0.0592-0.0360 ( 2331 PWs) bands (ev): -23.6393 -23.6393 -6.5327 -6.5327 -5.3620 -5.3620 -4.8100 -4.8100 -3.4251 -3.4251 -1.1927 -1.1927 5.7716 5.7716 7.1502 7.1502 7.1635 7.1635 9.9719 9.9719 10.0580 10.0580 10.1328 10.1328 12.4066 12.4066 12.4616 12.4616 12.5105 12.5105 13.8905 13.8905 k = 0.0455-0.0741-0.0450 ( 2332 PWs) bands (ev): -23.6379 -23.6379 -6.5315 -6.5315 -5.3685 -5.3685 -4.8205 -4.8205 -3.4098 -3.4098 -1.2029 -1.2029 5.7892 5.7892 7.1556 7.1556 7.1702 7.1702 9.9404 9.9404 10.0108 10.0108 10.1074 10.1074 12.4061 12.4061 12.4915 12.4915 12.5389 12.5389 13.9175 13.9175 k = 0.0545-0.0889-0.0540 ( 2335 PWs) bands (ev): -23.6362 -23.6362 -6.5301 -6.5301 -5.3765 -5.3765 -4.8328 -4.8328 -3.3914 -3.3914 -1.2152 -1.2152 5.8104 5.8104 7.1618 7.1618 7.1785 7.1785 9.8840 9.8840 9.9742 9.9742 10.0782 10.0782 12.4030 12.4030 12.5276 12.5276 12.5738 12.5738 13.9484 13.9484 k = 0.0636-0.1037-0.0630 ( 2338 PWs) bands (ev): -23.6342 -23.6342 -6.5286 -6.5286 -5.3859 -5.3859 -4.8467 -4.8467 -3.3702 -3.3702 -1.2295 -1.2295 5.8352 5.8352 7.1686 7.1686 7.1885 7.1885 9.8064 9.8064 9.9465 9.9465 10.0456 10.0456 12.3977 12.3977 12.5690 12.5690 12.6145 12.6145 13.9822 13.9822 k = 0.0727-0.1185-0.0721 ( 2340 PWs) bands (ev): -23.6320 -23.6320 -6.5270 -6.5270 -5.3968 -5.3968 -4.8618 -4.8618 -3.3465 -3.3465 -1.2458 -1.2458 5.8632 5.8632 7.1760 7.1760 7.2000 7.2000 9.7165 9.7165 9.9207 9.9207 10.0100 10.0100 12.3904 12.3904 12.6153 12.6153 12.6603 12.6603 14.0179 14.0179 k = 0.0818-0.1333-0.0811 ( 2339 PWs) bands (ev): -23.6294 -23.6294 -6.5252 -6.5252 -5.4091 -5.4091 -4.8781 -4.8781 -3.3204 -3.3204 -1.2638 -1.2638 5.8943 5.8943 7.1839 7.1839 7.2130 7.2130 9.6184 9.6184 9.8945 9.8945 9.9718 9.9718 12.3812 12.3812 12.6658 12.6658 12.7105 12.7105 14.0544 14.0544 k = 0.0909-0.1481-0.0901 ( 2335 PWs) bands (ev): -23.6266 -23.6266 -6.5235 -6.5235 -5.4228 -5.4228 -4.8951 -4.8951 -3.2921 -3.2921 -1.2835 -1.2835 5.9283 5.9283 7.1920 7.1920 7.2275 7.2275 9.5144 9.5144 9.8670 9.8670 9.9318 9.9318 12.3702 12.3702 12.7200 12.7200 12.7647 12.7647 14.0907 14.0907 k = 0.1000-0.1629-0.0991 ( 2335 PWs) bands (ev): -23.6234 -23.6234 -6.5218 -6.5218 -5.4378 -5.4378 -4.9125 -4.9125 -3.2619 -3.2619 -1.3048 -1.3048 5.9649 5.9649 7.2004 7.2004 7.2433 7.2433 9.4060 9.4060 9.8381 9.8381 9.8905 9.8905 12.3575 12.3575 12.7774 12.7774 12.8224 12.8224 14.1258 14.1258 k = 0.1091-0.1777-0.1081 ( 2334 PWs) bands (ev): -23.6201 -23.6201 -6.5202 -6.5202 -5.4541 -5.4541 -4.9303 -4.9303 -3.2301 -3.2301 -1.3276 -1.3276 6.0039 6.0039 7.2088 7.2088 7.2603 7.2603 9.2944 9.2944 9.8072 9.8072 9.8491 9.8491 12.3432 12.3432 12.8377 12.8377 12.8832 12.8832 14.1587 14.1587 k = 0.1182-0.1925-0.1171 ( 2336 PWs) bands (ev): -23.6165 -23.6165 -6.5188 -6.5188 -5.4716 -5.4716 -4.9482 -4.9482 -3.1967 -3.1967 -1.3516 -1.3516 6.0450 6.0450 7.2171 7.2171 7.2785 7.2785 9.1807 9.1807 9.7732 9.7732 9.8091 9.8091 12.3275 12.3275 12.9001 12.9001 12.9466 12.9466 14.1884 14.1884 k = 0.1273-0.2074-0.1261 ( 2342 PWs) bands (ev): -23.6126 -23.6126 -6.5178 -6.5178 -5.4902 -5.4902 -4.9659 -4.9659 -3.1620 -3.1620 -1.3767 -1.3767 6.0878 6.0878 7.2252 7.2252 7.2978 7.2978 9.0659 9.0659 9.7351 9.7351 9.7723 9.7723 12.3105 12.3105 12.9644 12.9644 13.0124 13.0124 14.2139 14.2139 k = 0.1364-0.2222-0.1351 ( 2336 PWs) bands (ev): -23.6085 -23.6085 -6.5171 -6.5171 -5.5095 -5.5095 -4.9834 -4.9834 -3.1262 -3.1262 -1.4029 -1.4029 6.1322 6.1322 7.2328 7.2328 7.3179 7.3179 8.9507 8.9507 9.6933 9.6933 9.7388 9.7388 12.2923 12.2923 13.0299 13.0299 13.0802 13.0802 14.2340 14.2340 k = 0.1455-0.2370-0.1441 ( 2336 PWs) bands (ev): -23.6043 -23.6043 -6.5170 -6.5170 -5.5296 -5.5296 -5.0004 -5.0004 -3.0894 -3.0894 -1.4299 -1.4299 6.1776 6.1776 7.2398 7.2398 7.3389 7.3389 8.8360 8.8360 9.6493 9.6493 9.7073 9.7073 12.2732 12.2732 13.0961 13.0961 13.1497 13.1497 14.2478 14.2478 k = 0.1545-0.2518-0.1531 ( 2338 PWs) bands (ev): -23.5998 -23.5998 -6.5176 -6.5176 -5.5502 -5.5502 -5.0170 -5.0170 -3.0519 -3.0519 -1.4577 -1.4577 6.2239 6.2239 7.2461 7.2461 7.3606 7.3606 8.7226 8.7226 9.6046 9.6046 9.6768 9.6768 12.2533 12.2533 13.1627 13.1627 13.2204 13.2204 14.2543 14.2543 k = 0.1636-0.2666-0.1621 ( 2338 PWs) bands (ev): -23.5951 -23.5951 -6.5190 -6.5190 -5.5710 -5.5710 -5.0330 -5.0330 -3.0138 -3.0138 -1.4861 -1.4861 6.2706 6.2706 7.2515 7.2515 7.3829 7.3829 8.6111 8.6111 9.5597 9.5597 9.6471 9.6471 12.2327 12.2327 13.2291 13.2291 13.2918 13.2918 14.2531 14.2531 k = 0.1727-0.2814-0.1711 ( 2336 PWs) bands (ev): -23.5903 -23.5903 -6.5213 -6.5213 -5.5918 -5.5918 -5.0485 -5.0485 -2.9753 -2.9753 -1.5149 -1.5149 6.3174 6.3174 7.2557 7.2557 7.4056 7.4056 8.5022 8.5022 9.5153 9.5153 9.6178 9.6178 12.2116 12.2116 13.2950 13.2950 13.3633 13.3633 14.2443 14.2443 k = 0.1818-0.2962-0.1801 ( 2332 PWs) bands (ev): -23.5853 -23.5853 -6.5247 -6.5247 -5.6122 -5.6122 -5.0632 -5.0632 -2.9365 -2.9365 -1.5441 -1.5441 6.3638 6.3638 7.2585 7.2585 7.4286 7.4286 8.3968 8.3968 9.4716 9.4716 9.5889 9.5889 12.1902 12.1902 13.3602 13.3602 13.4340 13.4340 14.2287 14.2287 k = 0.1909-0.3110-0.1891 ( 2332 PWs) bands (ev): -23.5801 -23.5801 -6.5293 -6.5293 -5.6322 -5.6322 -5.0773 -5.0773 -2.8976 -2.8976 -1.5734 -1.5734 6.4095 6.4095 7.2596 7.2596 7.4518 7.4518 8.2956 8.2956 9.4288 9.4288 9.5603 9.5603 12.1686 12.1686 13.4244 13.4244 13.5029 13.5029 14.2076 14.2076 k = 0.2000-0.3258-0.1981 ( 2335 PWs) bands (ev): -23.5749 -23.5749 -6.5354 -6.5354 -5.6513 -5.6513 -5.0907 -5.0907 -2.8587 -2.8587 -1.6029 -1.6029 6.4542 6.4542 7.2586 7.2586 7.4750 7.4750 8.1995 8.1995 9.3872 9.3872 9.5318 9.5318 12.1469 12.1469 13.4874 13.4874 13.5685 13.5685 14.1829 14.1829 k = 0.2091-0.3407-0.2071 ( 2337 PWs) bands (ev): -23.5695 -23.5695 -6.5429 -6.5429 -5.6693 -5.6693 -5.1034 -5.1034 -2.8200 -2.8200 -1.6323 -1.6323 6.4972 6.4972 7.2549 7.2549 7.4980 7.4980 8.1096 8.1096 9.3469 9.3469 9.5033 9.5033 12.1253 12.1253 13.5489 13.5489 13.6291 13.6291 14.1567 14.1567 k = 0.2182-0.3555-0.2162 ( 2336 PWs) bands (ev): -23.5640 -23.5640 -6.5520 -6.5520 -5.6861 -5.6861 -5.1154 -5.1154 -2.7817 -2.7817 -1.6615 -1.6615 6.5383 6.5383 7.2479 7.2479 7.5208 7.5208 8.0271 8.0271 9.3081 9.3081 9.4747 9.4747 12.1039 12.1039 13.6086 13.6086 13.6822 13.6822 14.1320 14.1320 k = 0.2273-0.3703-0.2252 ( 2338 PWs) bands (ev): -23.5585 -23.5585 -6.5628 -6.5628 -5.7014 -5.7014 -5.1267 -5.1267 -2.7438 -2.7438 -1.6905 -1.6905 6.5770 6.5770 7.2368 7.2368 7.5430 7.5430 7.9534 7.9534 9.2710 9.2710 9.4458 9.4458 12.0829 12.0829 13.6658 13.6658 13.7248 13.7248 14.1127 14.1127 k = 0.2364-0.3851-0.2342 ( 2337 PWs) bands (ev): -23.5529 -23.5529 -6.5752 -6.5752 -5.7152 -5.7152 -5.1372 -5.1372 -2.7066 -2.7066 -1.7192 -1.7192 6.6129 6.6129 7.2206 7.2206 7.5646 7.5646 7.8900 7.8900 9.2355 9.2355 9.4165 9.4165 12.0624 12.0624 13.7167 13.7167 13.7560 13.7560 14.1036 14.1036 k = 0.2455-0.3999-0.2432 ( 2335 PWs) bands (ev): -23.5473 -23.5473 -6.5893 -6.5893 -5.7273 -5.7273 -5.1471 -5.1471 -2.6701 -2.6701 -1.7474 -1.7474 6.6456 6.6456 7.1986 7.1986 7.5853 7.5853 7.8382 7.8382 9.2020 9.2020 9.3865 9.3865 12.0425 12.0425 13.7415 13.7415 13.7924 13.7924 14.1077 14.1077 k = 0.2545-0.4147-0.2522 ( 2333 PWs) bands (ev): -23.5417 -23.5417 -6.6051 -6.6051 -5.7377 -5.7377 -5.1562 -5.1562 -2.6345 -2.6345 -1.7750 -1.7750 6.6747 6.6747 7.1707 7.1707 7.6051 7.6051 7.7986 7.7986 9.1704 9.1704 9.3557 9.3557 12.0233 12.0233 13.7334 13.7334 13.8416 13.8416 14.1246 14.1246 k = 0.2636-0.4295-0.2612 ( 2329 PWs) bands (ev): -23.5360 -23.5360 -6.6223 -6.6223 -5.7464 -5.7464 -5.1646 -5.1646 -2.5998 -2.5998 -1.8021 -1.8021 6.6998 6.6998 7.1374 7.1374 7.6236 7.6236 7.7713 7.7713 9.1409 9.1409 9.3238 9.3238 12.0049 12.0049 13.7081 13.7081 13.8923 13.8923 14.1499 14.1499 k = 0.2727-0.4443-0.2702 ( 2329 PWs) bands (ev): -23.5304 -23.5304 -6.6409 -6.6409 -5.7535 -5.7535 -5.1722 -5.1722 -2.5663 -2.5663 -1.8284 -1.8284 6.7204 6.7204 7.1002 7.1002 7.6407 7.6407 7.7555 7.7555 9.1135 9.1135 9.2908 9.2908 11.9874 11.9874 13.6726 13.6726 13.9421 13.9421 14.1794 14.1794 k = 0.2818-0.4592-0.2792 ( 2327 PWs) bands (ev): -23.5248 -23.5248 -6.6607 -6.6607 -5.7591 -5.7591 -5.1791 -5.1791 -2.5341 -2.5341 -1.8540 -1.8540 6.7357 6.7357 7.0615 7.0615 7.6566 7.6566 7.7494 7.7494 9.0882 9.0882 9.2565 9.2565 11.9708 11.9708 13.6310 13.6310 13.9904 13.9904 14.2100 14.2100 k = 0.2909-0.4740-0.2882 ( 2330 PWs) bands (ev): -23.5193 -23.5193 -6.6815 -6.6815 -5.7633 -5.7633 -5.1853 -5.1853 -2.5031 -2.5031 -1.8787 -1.8787 6.7447 6.7447 7.0241 7.0241 7.6711 7.6711 7.7513 7.7513 9.0651 9.0651 9.2207 9.2207 11.9553 11.9553 13.5856 13.5856 14.0372 14.0372 14.2397 14.2397 k = 0.3000-0.4888-0.2972 ( 2330 PWs) bands (ev): -23.5138 -23.5138 -6.7032 -6.7032 -5.7662 -5.7662 -5.1907 -5.1907 -2.4736 -2.4736 -1.9026 -1.9026 6.7459 6.7459 6.9913 6.9913 7.6847 7.6847 7.7591 7.7591 9.0441 9.0441 9.1835 9.1835 11.9408 11.9408 13.5379 13.5379 14.0824 14.0824 14.2677 14.2677 k = 0.3091-0.5036-0.3062 ( 2330 PWs) bands (ev): -23.5085 -23.5085 -6.7254 -6.7254 -5.7681 -5.7681 -5.1953 -5.1953 -2.4455 -2.4455 -1.9255 -1.9255 6.7377 6.7377 6.9662 6.9662 7.6974 7.6974 7.7714 7.7714 9.0252 9.0252 9.1448 9.1448 11.9273 11.9273 13.4890 13.4890 14.1260 14.1260 14.2936 14.2936 k = 0.3182-0.5184-0.3152 ( 2332 PWs) bands (ev): -23.5032 -23.5032 -6.7481 -6.7481 -5.7691 -5.7691 -5.1993 -5.1993 -2.4189 -2.4189 -1.9474 -1.9474 6.7199 6.7199 6.9503 6.9503 7.7092 7.7092 7.7868 7.7868 9.0081 9.0081 9.1046 9.1046 11.9150 11.9150 13.4394 13.4394 14.1678 14.1678 14.3175 14.3175 k = 0.3273-0.5332-0.3242 ( 2338 PWs) bands (ev): -23.4981 -23.4981 -6.7709 -6.7709 -5.7693 -5.7693 -5.2024 -5.2024 -2.3940 -2.3940 -1.9683 -1.9683 6.6943 6.6943 6.9429 6.9429 7.7198 7.7198 7.8046 7.8046 8.9924 8.9924 9.0635 9.0635 11.9037 11.9037 13.3898 13.3898 14.2079 14.2079 14.3395 14.3395 k = 0.3364-0.5480-0.3332 ( 2339 PWs) bands (ev): -23.4931 -23.4931 -6.7937 -6.7937 -5.7689 -5.7689 -5.2049 -5.2049 -2.3707 -2.3707 -1.9882 -1.9882 6.6637 6.6637 6.9419 6.9419 7.7290 7.7290 7.8242 7.8242 8.9766 8.9766 9.0229 9.0229 11.8934 11.8934 13.3404 13.3404 14.2460 14.2460 14.3599 14.3599 k = 0.3455-0.5628-0.3422 ( 2341 PWs) bands (ev): -23.4883 -23.4883 -6.8162 -6.8162 -5.7680 -5.7680 -5.2067 -5.2067 -2.3490 -2.3490 -2.0069 -2.0069 6.6310 6.6310 6.9453 6.9453 7.7368 7.7368 7.8451 7.8451 8.9536 8.9536 8.9898 8.9898 11.8842 11.8842 13.2918 13.2918 14.2820 14.2820 14.3794 14.3794 k = 0.3545-0.5776-0.3512 ( 2351 PWs) bands (ev): -23.4837 -23.4837 -6.8384 -6.8384 -5.7669 -5.7669 -5.2079 -5.2079 -2.3290 -2.3290 -2.0246 -2.0246 6.5980 6.5980 6.9517 6.9517 7.7432 7.7432 7.8667 7.8667 8.9154 8.9154 8.9723 8.9723 11.8760 11.8760 13.2440 13.2440 14.3155 14.3155 14.3987 14.3987 k = 0.3636-0.5925-0.3603 ( 2351 PWs) bands (ev): -23.4792 -23.4792 -6.8600 -6.8600 -5.7654 -5.7654 -5.2084 -5.2084 -2.3106 -2.3106 -2.0411 -2.0411 6.5658 6.5658 6.9603 6.9603 7.7484 7.7484 7.8886 7.8886 8.8697 8.8697 8.9626 8.9626 11.8688 11.8688 13.1976 13.1976 14.3458 14.3458 14.4184 14.4184 k = 0.3727-0.6073-0.3693 ( 2349 PWs) bands (ev): -23.4750 -23.4750 -6.8809 -6.8809 -5.7639 -5.7639 -5.2084 -5.2084 -2.2938 -2.2938 -2.0565 -2.0565 6.5351 6.5351 6.9708 6.9708 7.7523 7.7523 7.9104 7.9104 8.8215 8.8215 8.9560 8.9560 11.8625 11.8625 13.1526 13.1526 14.3725 14.3725 14.4396 14.4396 k = 0.3818-0.6221-0.3783 ( 2345 PWs) bands (ev): -23.4710 -23.4710 -6.9009 -6.9009 -5.7623 -5.7623 -5.2079 -5.2079 -2.2786 -2.2786 -2.0708 -2.0708 6.5064 6.5064 6.9829 6.9829 7.7552 7.7552 7.9320 7.9320 8.7720 8.7720 8.9511 8.9511 11.8571 11.8571 13.1093 13.1093 14.3953 14.3953 14.4625 14.4625 k = 0.3909-0.6369-0.3873 ( 2345 PWs) bands (ev): -23.4672 -23.4672 -6.9199 -6.9199 -5.7607 -5.7607 -5.2071 -5.2071 -2.2648 -2.2648 -2.0841 -2.0841 6.4799 6.4799 6.9964 6.9964 7.7571 7.7571 7.9530 7.9530 8.7217 8.7217 8.9476 8.9476 11.8525 11.8525 13.0680 13.0680 14.4148 14.4148 14.4866 14.4866 k = 0.4000-0.6517-0.3963 ( 2345 PWs) bands (ev): -23.4637 -23.4637 -6.9378 -6.9378 -5.7592 -5.7592 -5.2059 -5.2059 -2.2525 -2.2525 -2.0962 -2.0962 6.4556 6.4556 7.0110 7.0110 7.7583 7.7583 7.9734 7.9734 8.6713 8.6713 8.9453 8.9453 11.8487 11.8487 13.0289 13.0289 14.4318 14.4318 14.5111 14.5111 k = 0.4091-0.6665-0.4053 ( 2341 PWs) bands (ev): -23.4604 -23.4604 -6.9544 -6.9544 -5.7577 -5.7577 -5.2044 -5.2044 -2.2415 -2.2415 -2.1073 -2.1073 6.4336 6.4336 7.0267 7.0267 7.7588 7.7588 7.9930 7.9930 8.6211 8.6211 8.9437 8.9437 11.8457 11.8457 12.9921 12.9921 14.4471 14.4471 14.5351 14.5351 k = 0.4182-0.6813-0.4143 ( 2341 PWs) bands (ev): -23.4574 -23.4574 -6.9698 -6.9698 -5.7564 -5.7564 -5.2028 -5.2028 -2.2317 -2.2317 -2.1174 -2.1174 6.4139 6.4139 7.0432 7.0432 7.7589 7.7589 8.0117 8.0117 8.5716 8.5716 8.9429 8.9429 11.8433 11.8433 12.9581 12.9581 14.4611 14.4611 14.5580 14.5580 k = 0.4273-0.6961-0.4233 ( 2342 PWs) bands (ev): -23.4547 -23.4547 -6.9837 -6.9837 -5.7552 -5.7552 -5.2010 -5.2010 -2.2231 -2.2231 -2.1266 -2.1266 6.3964 6.3964 7.0601 7.0601 7.7586 7.7586 8.0297 8.0297 8.5234 8.5234 8.9425 8.9425 11.8414 11.8414 12.9268 12.9268 14.4741 14.4741 14.5793 14.5793 k = 0.4364-0.7109-0.4323 ( 2344 PWs) bands (ev): -23.4523 -23.4523 -6.9962 -6.9962 -5.7542 -5.7542 -5.1993 -5.1993 -2.2154 -2.2154 -2.1349 -2.1349 6.3812 6.3812 7.0771 7.0771 7.7580 7.7580 8.0469 8.0469 8.4769 8.4769 8.9426 8.9426 11.8401 11.8401 12.8987 12.8987 14.4860 14.4860 14.5988 14.5988 k = 0.4455-0.7258-0.4413 ( 2343 PWs) bands (ev): -23.4502 -23.4502 -7.0071 -7.0071 -5.7533 -5.7533 -5.1976 -5.1976 -2.2087 -2.2087 -2.1423 -2.1423 6.3681 6.3681 7.0936 7.0936 7.7573 7.7573 8.0634 8.0634 8.4327 8.4327 8.9429 8.9429 11.8391 11.8391 12.8738 12.8738 14.4969 14.4969 14.6161 14.6161 k = 0.4545-0.7406-0.4503 ( 2343 PWs) bands (ev): -23.4484 -23.4484 -7.0164 -7.0164 -5.7526 -5.7526 -5.1961 -5.1961 -2.2027 -2.2027 -2.1490 -2.1490 6.3572 6.3572 7.1090 7.1090 7.7565 7.7565 8.0793 8.0793 8.3916 8.3916 8.9433 8.9433 11.8386 11.8386 12.8523 12.8523 14.5064 14.5064 14.6311 14.6311 k = 0.4636-0.7554-0.4593 ( 2343 PWs) bands (ev): -23.4469 -23.4469 -7.0241 -7.0241 -5.7520 -5.7520 -5.1947 -5.1947 -2.1973 -2.1973 -2.1549 -2.1549 6.3483 6.3483 7.1229 7.1229 7.7558 7.7558 8.0947 8.0947 8.3543 8.3543 8.9438 8.9438 11.8382 11.8382 12.8345 12.8345 14.5146 14.5146 14.6435 14.6435 k = 0.4727-0.7702-0.4683 ( 2341 PWs) bands (ev): -23.4458 -23.4458 -7.0302 -7.0302 -5.7515 -5.7515 -5.1936 -5.1936 -2.1926 -2.1926 -2.1602 -2.1602 6.3414 6.3414 7.1344 7.1344 7.7552 7.7552 8.1092 8.1092 8.3217 8.3217 8.9442 8.9442 11.8380 11.8380 12.8205 12.8205 14.5211 14.5211 14.6534 14.6534 k = 0.4818-0.7850-0.4773 ( 2351 PWs) bands (ev): -23.4450 -23.4450 -7.0345 -7.0345 -5.7512 -5.7512 -5.1928 -5.1928 -2.1884 -2.1884 -2.1648 -2.1648 6.3365 6.3365 7.1432 7.1432 7.7547 7.7547 8.1221 8.1221 8.2953 8.2953 8.9446 8.9446 11.8380 11.8380 12.8104 12.8104 14.5259 14.5259 14.6605 14.6605 k = 0.4909-0.7998-0.4863 ( 2351 PWs) bands (ev): -23.4445 -23.4445 -7.0371 -7.0371 -5.7510 -5.7510 -5.1923 -5.1923 -2.1851 -2.1851 -2.1683 -2.1683 6.3336 6.3336 7.1487 7.1487 7.7544 7.7544 8.1318 8.1318 8.2773 8.2773 8.9448 8.9448 11.8379 11.8379 12.8043 12.8043 14.5289 14.5289 14.6648 14.6648 k = 0.5000-0.8146-0.4953 ( 2352 PWs) bands (ev): -23.4443 -23.4443 -7.0380 -7.0380 -5.7510 -5.7510 -5.1921 -5.1921 -2.1838 -2.1838 -2.1698 -2.1698 6.3326 6.3326 7.1505 7.1505 7.7542 7.7542 8.1355 8.1355 8.2707 8.2707 8.9449 8.9449 11.8379 11.8379 12.8022 12.8022 14.5299 14.5299 14.6662 14.6662 k = 0.5000-0.8146-0.4953 ( 2352 PWs) bands (ev): -23.4443 -23.4443 -7.0380 -7.0380 -5.7510 -5.7510 -5.1921 -5.1921 -2.1838 -2.1838 -2.1698 -2.1698 6.3326 6.3326 7.1505 7.1505 7.7542 7.7542 8.1355 8.1355 8.2707 8.2707 8.9449 8.9449 11.8379 11.8379 12.8022 12.8022 14.5299 14.5299 14.6662 14.6662 k = 0.5000-0.8045-0.5120 ( 2350 PWs) bands (ev): -23.4442 -23.4442 -7.0376 -7.0376 -5.7512 -5.7512 -5.1929 -5.1929 -2.1836 -2.1836 -2.1695 -2.1695 6.3336 6.3336 7.1493 7.1493 7.7525 7.7525 8.1357 8.1357 8.2744 8.2744 8.9406 8.9406 11.8423 11.8423 12.8057 12.8057 14.5281 14.5281 14.6645 14.6645 k = 0.5000-0.7944-0.5286 ( 2352 PWs) bands (ev): -23.4441 -23.4441 -7.0364 -7.0364 -5.7519 -5.7519 -5.1953 -5.1953 -2.1831 -2.1831 -2.1688 -2.1688 6.3367 6.3367 7.1455 7.1455 7.7475 7.7475 8.1363 8.1363 8.2853 8.2853 8.9279 8.9279 11.8554 11.8554 12.8163 12.8163 14.5228 14.5228 14.6595 14.6595 k = 0.5000-0.7843-0.5452 ( 2350 PWs) bands (ev): -23.4438 -23.4438 -7.0345 -7.0345 -5.7531 -5.7531 -5.1993 -5.1993 -2.1823 -2.1823 -2.1677 -2.1677 6.3418 6.3418 7.1391 7.1391 7.7400 7.7400 8.1373 8.1373 8.3025 8.3025 8.9070 8.9070 11.8768 11.8768 12.8338 12.8338 14.5140 14.5140 14.6511 14.6511 k = 0.5000-0.7742-0.5618 ( 2350 PWs) bands (ev): -23.4434 -23.4434 -7.0318 -7.0318 -5.7548 -5.7548 -5.2048 -5.2048 -2.1812 -2.1812 -2.1661 -2.1661 6.3489 6.3489 7.1303 7.1303 7.7307 7.7307 8.1387 8.1387 8.3251 8.3251 8.8786 8.8786 11.9060 11.9060 12.8582 12.8582 14.5019 14.5019 14.6397 14.6397 k = 0.5000-0.7641-0.5784 ( 2352 PWs) bands (ev): -23.4430 -23.4430 -7.0283 -7.0283 -5.7571 -5.7571 -5.2116 -5.2116 -2.1799 -2.1799 -2.1641 -2.1641 6.3580 6.3580 7.1191 7.1191 7.7207 7.7207 8.1406 8.1406 8.3519 8.3519 8.8433 8.8433 11.9422 11.9422 12.8894 12.8894 14.4864 14.4864 14.6254 14.6254 k = 0.5000-0.7540-0.5950 ( 2348 PWs) bands (ev): -23.4424 -23.4424 -7.0242 -7.0242 -5.7600 -5.7600 -5.2196 -5.2196 -2.1782 -2.1782 -2.1618 -2.1618 6.3690 6.3690 7.1057 7.1057 7.7108 7.7108 8.1428 8.1428 8.3819 8.3819 8.8018 8.8018 11.9846 11.9846 12.9273 12.9273 14.4677 14.4677 14.6084 14.6084 k = 0.5000-0.7439-0.6116 ( 2346 PWs) bands (ev): -23.4417 -23.4417 -7.0193 -7.0193 -5.7636 -5.7636 -5.2286 -5.2286 -2.1763 -2.1763 -2.1591 -2.1591 6.3820 6.3820 7.0901 7.0901 7.7016 7.7016 8.1453 8.1453 8.4140 8.4140 8.7552 8.7552 12.0323 12.0323 12.9718 12.9718 14.4460 14.4460 14.5891 14.5891 k = 0.5000-0.7338-0.6282 ( 2348 PWs) bands (ev): -23.4409 -23.4409 -7.0137 -7.0137 -5.7680 -5.7680 -5.2384 -5.2384 -2.1743 -2.1743 -2.1562 -2.1562 6.3968 6.3968 7.0727 7.0727 7.6936 7.6936 8.1481 8.1481 8.4474 8.4474 8.7043 8.7043 12.0843 12.0843 13.0226 13.0226 14.4215 14.4215 14.5678 14.5678 k = 0.5000-0.7237-0.6448 ( 2350 PWs) bands (ev): -23.4401 -23.4401 -7.0076 -7.0076 -5.7733 -5.7733 -5.2489 -5.2489 -2.1720 -2.1720 -2.1530 -2.1530 6.4133 6.4133 7.0538 7.0538 7.6873 7.6873 8.1510 8.1510 8.4810 8.4810 8.6504 8.6504 12.1398 12.1398 13.0797 13.0797 14.3943 14.3943 14.5448 14.5448 k = 0.5000-0.7136-0.6614 ( 2348 PWs) bands (ev): -23.4392 -23.4392 -7.0008 -7.0008 -5.7795 -5.7795 -5.2596 -5.2596 -2.1696 -2.1696 -2.1497 -2.1497 6.4316 6.4316 7.0334 7.0334 7.6827 7.6827 8.1537 8.1537 8.5123 8.5123 8.5963 8.5963 12.1978 12.1978 13.1428 13.1428 14.3647 14.3647 14.5204 14.5204 k = 0.5000-0.7036-0.6780 ( 2354 PWs) bands (ev): -23.4382 -23.4382 -6.9935 -6.9935 -5.7868 -5.7868 -5.2705 -5.2705 -2.1670 -2.1670 -2.1463 -2.1463 6.4515 6.4515 7.0122 7.0122 7.6800 7.6800 8.1559 8.1559 8.5169 8.5169 8.5668 8.5668 12.2574 12.2574 13.2116 13.2116 14.3330 14.3330 14.4951 14.4951 k = 0.5000-0.6935-0.6946 ( 2358 PWs) bands (ev): -23.4371 -23.4371 -6.9856 -6.9856 -5.7951 -5.7951 -5.2812 -5.2812 -2.1644 -2.1644 -2.1429 -2.1429 6.4729 6.4729 6.9902 6.9902 7.6792 7.6792 8.1571 8.1571 8.4668 8.4668 8.5905 8.5905 12.3178 12.3178 13.2859 13.2859 14.2993 14.2993 14.4693 14.4693 k = 0.5000-0.6834-0.7112 ( 2358 PWs) bands (ev): -23.4360 -23.4360 -6.9774 -6.9774 -5.8045 -5.8045 -5.2916 -5.2916 -2.1617 -2.1617 -2.1394 -2.1394 6.4958 6.4958 6.9678 6.9678 7.6804 7.6804 8.1563 8.1563 8.4100 8.4100 8.6206 8.6206 12.3781 12.3781 13.3654 13.3654 14.2642 14.2642 14.4431 14.4431 k = 0.5000-0.6733-0.7278 ( 2360 PWs) bands (ev): -23.4349 -23.4349 -6.9687 -6.9687 -5.8151 -5.8151 -5.3014 -5.3014 -2.1591 -2.1591 -2.1361 -2.1361 6.5200 6.5200 6.9454 6.9454 7.6833 7.6833 8.1515 8.1515 8.3556 8.3556 8.6500 8.6500 12.4375 12.4375 13.4497 13.4497 14.2278 14.2278 14.4171 14.4171 k = 0.5000-0.6632-0.7444 ( 2362 PWs) bands (ev): -23.4337 -23.4337 -6.9598 -6.9598 -5.8267 -5.8267 -5.3105 -5.3105 -2.1564 -2.1564 -2.1328 -2.1328 6.5455 6.5455 6.9232 6.9232 7.6881 7.6881 8.1388 8.1388 8.3086 8.3086 8.6776 8.6776 12.4954 12.4954 13.5384 13.5384 14.1907 14.1907 14.3915 14.3915 k = 0.5000-0.6531-0.7610 ( 2358 PWs) bands (ev): -23.4325 -23.4325 -6.9506 -6.9506 -5.8393 -5.8393 -5.3187 -5.3187 -2.1538 -2.1538 -2.1297 -2.1297 6.5721 6.5721 6.9014 6.9014 7.6946 7.6946 8.1132 8.1132 8.2747 8.2747 8.7028 8.7028 12.5510 12.5510 13.6309 13.6309 14.1533 14.1533 14.3667 14.3667 k = 0.5000-0.6430-0.7777 ( 2358 PWs) bands (ev): -23.4313 -23.4313 -6.9413 -6.9413 -5.8529 -5.8529 -5.3260 -5.3260 -2.1513 -2.1513 -2.1267 -2.1267 6.5997 6.5997 6.8803 6.8803 7.7028 7.7028 8.0732 8.0732 8.2556 8.2556 8.7253 8.7253 12.6036 12.6036 13.7264 13.7264 14.1162 14.1162 14.3434 14.3434 k = 0.5000-0.6329-0.7943 ( 2352 PWs) bands (ev): -23.4301 -23.4301 -6.9319 -6.9319 -5.8672 -5.8672 -5.3323 -5.3323 -2.1489 -2.1489 -2.1240 -2.1240 6.6282 6.6282 6.8600 6.8600 7.7126 7.7126 8.0235 8.0235 8.2471 8.2471 8.7449 8.7449 12.6525 12.6525 13.8234 13.8234 14.0800 14.0800 14.3226 14.3226 k = 0.5000-0.6228-0.8109 ( 2352 PWs) bands (ev): -23.4289 -23.4289 -6.9226 -6.9226 -5.8820 -5.8820 -5.3377 -5.3377 -2.1467 -2.1467 -2.1216 -2.1216 6.6573 6.6573 6.8407 6.8407 7.7239 7.7239 7.9693 7.9693 8.2441 8.2441 8.7613 8.7613 12.6969 12.6969 13.9189 13.9189 14.0459 14.0459 14.3064 14.3064 k = 0.5000-0.6127-0.8275 ( 2352 PWs) bands (ev): -23.4277 -23.4277 -6.9135 -6.9135 -5.8970 -5.8970 -5.3421 -5.3421 -2.1446 -2.1446 -2.1194 -2.1194 6.6869 6.6869 6.8227 6.8227 7.7366 7.7366 7.9139 7.9139 8.2438 8.2438 8.7743 8.7743 12.7363 12.7363 13.9964 13.9964 14.0251 14.0251 14.3007 14.3007 k = 0.5000-0.6026-0.8441 ( 2346 PWs) bands (ev): -23.4265 -23.4265 -6.9046 -6.9046 -5.9121 -5.9121 -5.3456 -5.3456 -2.1428 -2.1428 -2.1175 -2.1175 6.7166 6.7166 6.8063 6.8063 7.7500 7.7500 7.8593 7.8593 8.2448 8.2448 8.7839 8.7839 12.7698 12.7698 13.9800 13.9800 14.0799 14.0799 14.3188 14.3188 k = 0.5000-0.5925-0.8607 ( 2350 PWs) bands (ev): -23.4254 -23.4254 -6.8961 -6.8961 -5.9270 -5.9270 -5.3483 -5.3483 -2.1412 -2.1412 -2.1159 -2.1159 6.7449 6.7449 6.7929 6.7929 7.7608 7.7608 7.8100 7.8100 8.2463 8.2463 8.7899 8.7899 12.7968 12.7968 13.9551 13.9551 14.1100 14.1100 14.3762 14.3762 k = 0.5000-0.5824-0.8773 ( 2350 PWs) bands (ev): -23.4243 -23.4243 -6.8882 -6.8882 -5.9413 -5.9413 -5.3502 -5.3502 -2.1398 -2.1398 -2.1146 -2.1146 6.7615 6.7615 6.7927 6.7927 7.7400 7.7400 7.7954 7.7954 8.2478 8.2478 8.7924 8.7924 12.8167 12.8167 13.9343 13.9343 14.1103 14.1103 14.4655 14.4655 k = 0.5000-0.5723-0.8939 ( 2350 PWs) bands (ev): -23.4234 -23.4234 -6.8808 -6.8808 -5.9549 -5.9549 -5.3516 -5.3516 -2.1387 -2.1387 -2.1137 -2.1137 6.7555 6.7555 6.8164 6.8164 7.6930 7.6930 7.8105 7.8105 8.2490 8.2490 8.7915 8.7915 12.8291 12.8291 13.9187 13.9187 14.0961 14.0961 14.5700 14.5700 k = 0.5000-0.5622-0.9105 ( 2348 PWs) bands (ev): -23.4225 -23.4225 -6.8741 -6.8741 -5.9673 -5.9673 -5.3523 -5.3523 -2.1379 -2.1379 -2.1130 -2.1130 6.7451 6.7451 6.8459 6.8459 7.6451 7.6451 7.8304 7.8304 8.2498 8.2498 8.7870 8.7870 12.8336 12.8336 13.9088 13.9088 14.0754 14.0754 14.6811 14.6811 k = 0.5000-0.5521-0.9271 ( 2346 PWs) bands (ev): -23.4216 -23.4216 -6.8683 -6.8683 -5.9784 -5.9784 -5.3527 -5.3527 -2.1373 -2.1373 -2.1126 -2.1126 6.7351 6.7351 6.8760 6.8760 7.5990 7.5990 7.8526 7.8526 8.2499 8.2499 8.7793 8.7793 12.8302 12.8302 13.9048 13.9048 14.0513 14.0513 14.7948 14.7948 k = 0.5000-0.5420-0.9437 ( 2344 PWs) bands (ev): -23.4209 -23.4209 -6.8633 -6.8633 -5.9879 -5.9879 -5.3527 -5.3527 -2.1370 -2.1370 -2.1125 -2.1125 6.7261 6.7261 6.9059 6.9059 7.5555 7.5555 7.8765 7.8765 8.2493 8.2493 8.7685 8.7685 12.8194 12.8194 13.9062 13.9062 14.0256 14.0256 14.9089 14.9089 k = 0.5000-0.5319-0.9603 ( 2344 PWs) bands (ev): -23.4204 -23.4204 -6.8592 -6.8592 -5.9957 -5.9957 -5.3525 -5.3525 -2.1370 -2.1370 -2.1127 -2.1127 6.7183 6.7183 6.9352 6.9352 7.5149 7.5149 7.9021 7.9021 8.2478 8.2478 8.7547 8.7547 12.8016 12.8016 13.9110 13.9110 14.0005 14.0005 15.0219 15.0219 k = 0.5000-0.5218-0.9769 ( 2348 PWs) bands (ev): -23.4199 -23.4199 -6.8561 -6.8561 -6.0016 -6.0016 -5.3522 -5.3522 -2.1372 -2.1372 -2.1131 -2.1131 6.7117 6.7117 6.9634 6.9634 7.4776 7.4776 7.9294 7.9294 8.2455 8.2455 8.7383 8.7383 12.7776 12.7776 13.9128 13.9128 13.9824 13.9824 15.1323 15.1323 k = 0.5000-0.5117-0.9935 ( 2344 PWs) bands (ev): -23.4196 -23.4196 -6.8540 -6.8540 -6.0056 -6.0056 -5.3518 -5.3518 -2.1377 -2.1377 -2.1138 -2.1138 6.7063 6.7063 6.9901 6.9901 7.4440 7.4440 7.9582 7.9582 8.2422 8.2422 8.7194 8.7194 12.7482 12.7482 13.8992 13.8992 13.9830 13.9830 15.2389 15.2389 k = 0.5000-0.5016-1.0101 ( 2346 PWs) bands (ev): -23.4194 -23.4194 -6.8527 -6.8527 -6.0075 -6.0075 -5.3514 -5.3514 -2.1385 -2.1385 -2.1146 -2.1146 6.7020 6.7020 7.0147 7.0147 7.4147 7.4147 7.9886 7.9886 8.2380 8.2380 8.6983 8.6983 12.7145 12.7145 13.8712 13.8712 14.0010 14.0010 15.3403 15.3403 k = 0.5000-0.4915-1.0267 ( 2346 PWs) bands (ev): -23.4194 -23.4194 -6.8523 -6.8523 -6.0073 -6.0073 -5.3512 -5.3512 -2.1395 -2.1395 -2.1155 -2.1155 6.6989 6.6989 7.0364 7.0364 7.3903 7.3903 8.0205 8.0205 8.2328 8.2328 8.6755 8.6755 12.6772 12.6772 13.8365 13.8365 14.0280 14.0280 15.4354 15.4354 k = 0.5000-0.4814-1.0433 ( 2342 PWs) bands (ev): -23.4196 -23.4196 -6.8526 -6.8526 -6.0051 -6.0051 -5.3510 -5.3510 -2.1407 -2.1407 -2.1165 -2.1165 6.6967 6.6967 7.0542 7.0542 7.3718 7.3718 8.0539 8.0539 8.2267 8.2267 8.6512 8.6512 12.6373 12.6373 13.7983 13.7983 14.0602 14.0602 15.5230 15.5230 k = 0.5000-0.4713-1.0600 ( 2346 PWs) bands (ev): -23.4199 -23.4199 -6.8535 -6.8535 -6.0011 -6.0011 -5.3511 -5.3511 -2.1422 -2.1422 -2.1176 -2.1176 6.6955 6.6955 7.0671 7.0671 7.3600 7.3600 8.0885 8.0885 8.2196 8.2196 8.6258 8.6258 12.5954 12.5954 13.7576 13.7576 14.0961 14.0961 15.6023 15.6023 k = 0.5000-0.4612-1.0766 ( 2346 PWs) bands (ev): -23.4205 -23.4205 -6.8548 -6.8548 -5.9951 -5.9951 -5.3514 -5.3514 -2.1439 -2.1439 -2.1187 -2.1187 6.6951 6.6951 7.0744 7.0744 7.3558 7.3558 8.1242 8.1242 8.2119 8.2119 8.5999 8.5999 12.5523 12.5523 13.7149 13.7149 14.1349 14.1349 15.6726 15.6726 k = 0.8151-0.3722-0.9048 ( 2346 PWs) bands (ev): -23.4205 -23.4205 -6.8548 -6.8548 -5.9951 -5.9951 -5.3514 -5.3514 -2.1439 -2.1439 -2.1187 -2.1187 6.6951 6.6951 7.0744 7.0744 7.3558 7.3558 8.1242 8.1242 8.2119 8.2119 8.5999 8.5999 12.5523 12.5523 13.7149 13.7149 14.1349 14.1349 15.6726 15.6726 k = 0.8098-0.3635-0.8880 ( 2348 PWs) bands (ev): -23.4212 -23.4212 -6.8564 -6.8564 -5.9874 -5.9874 -5.3520 -5.3520 -2.1459 -2.1459 -2.1197 -2.1197 6.6954 6.6954 7.0759 7.0759 7.3592 7.3592 8.1603 8.1603 8.2042 8.2042 8.5735 8.5735 12.5080 12.5080 13.6698 13.6698 14.1764 14.1764 15.7341 15.7341 k = 0.8044-0.3548-0.8713 ( 2348 PWs) bands (ev): -23.4222 -23.4222 -6.8581 -6.8581 -5.9782 -5.9782 -5.3529 -5.3529 -2.1481 -2.1481 -2.1206 -2.1206 6.6964 6.6964 7.0722 7.0722 7.3694 7.3694 8.1842 8.1842 8.2084 8.2084 8.5477 8.5477 12.4635 12.4635 13.6231 13.6231 14.2194 14.2194 15.7860 15.7860 k = 0.7991-0.3461-0.8545 ( 2348 PWs) bands (ev): -23.4233 -23.4233 -6.8598 -6.8598 -5.9676 -5.9676 -5.3542 -5.3542 -2.1505 -2.1505 -2.1214 -2.1214 6.6978 6.6978 7.0646 7.0646 7.3853 7.3853 8.1783 8.1783 8.2419 8.2419 8.5235 8.5235 12.4193 12.4193 13.5750 13.5750 14.2635 14.2635 15.8286 15.8286 k = 0.7938-0.3374-0.8377 ( 2346 PWs) bands (ev): -23.4247 -23.4247 -6.8612 -6.8612 -5.9558 -5.9558 -5.3557 -5.3557 -2.1531 -2.1531 -2.1221 -2.1221 6.6996 6.6996 7.0544 7.0544 7.4052 7.4052 8.1674 8.1674 8.2781 8.2781 8.5026 8.5026 12.3758 12.3758 13.5255 13.5255 14.3080 14.3080 15.8623 15.8623 k = 0.7884-0.3287-0.8209 ( 2348 PWs) bands (ev): -23.4263 -23.4263 -6.8622 -6.8622 -5.9430 -5.9430 -5.3576 -5.3576 -2.1558 -2.1558 -2.1225 -2.1225 6.7016 6.7016 7.0427 7.0427 7.4282 7.4282 8.1553 8.1553 8.3106 8.3106 8.4881 8.4881 12.3333 12.3333 13.4748 13.4748 14.3525 14.3525 15.8876 15.8876 k = 0.7831-0.3200-0.8041 ( 2350 PWs) bands (ev): -23.4282 -23.4282 -6.8626 -6.8626 -5.9294 -5.9294 -5.3597 -5.3597 -2.1587 -2.1587 -2.1228 -2.1228 6.7037 6.7037 7.0302 7.0302 7.4534 7.4534 8.1424 8.1424 8.3333 8.3333 8.4860 8.4860 12.2922 12.2922 13.4232 13.4232 14.3962 14.3962 15.9052 15.9052 k = 0.7777-0.3113-0.7873 ( 2348 PWs) bands (ev): -23.4302 -23.4302 -6.8623 -6.8623 -5.9153 -5.9153 -5.3620 -5.3620 -2.1616 -2.1616 -2.1228 -2.1228 6.7056 6.7056 7.0175 7.0175 7.4802 7.4802 8.1289 8.1289 8.3410 8.3410 8.5019 8.5019 12.2528 12.2528 13.3708 13.3708 14.4387 14.4387 15.9155 15.9155 k = 0.7724-0.3026-0.7705 ( 2340 PWs) bands (ev): -23.4325 -23.4325 -6.8612 -6.8612 -5.9008 -5.9008 -5.3645 -5.3645 -2.1647 -2.1647 -2.1226 -2.1226 6.7073 6.7073 7.0048 7.0048 7.5083 7.5083 8.1148 8.1148 8.3358 8.3358 8.5335 8.5335 12.2153 12.2153 13.3177 13.3177 14.4794 14.4794 15.9189 15.9189 k = 0.7671-0.2939-0.7537 ( 2344 PWs) bands (ev): -23.4350 -23.4350 -6.8592 -6.8592 -5.8862 -5.8862 -5.3671 -5.3671 -2.1677 -2.1677 -2.1221 -2.1221 6.7086 6.7086 6.9924 6.9924 7.5375 7.5375 8.1002 8.1002 8.3246 8.3246 8.5745 8.5745 12.1800 12.1800 13.2643 13.2643 14.5176 14.5176 15.9162 15.9162 k = 0.7617-0.2852-0.7369 ( 2340 PWs) bands (ev): -23.4378 -23.4378 -6.8561 -6.8561 -5.8716 -5.8716 -5.3696 -5.3696 -2.1708 -2.1708 -2.1214 -2.1214 6.7093 6.7093 6.9802 6.9802 7.5677 7.5677 8.0851 8.0851 8.3118 8.3118 8.6205 8.6205 12.1470 12.1470 13.2106 13.2106 14.5529 14.5529 15.9086 15.9086 k = 0.7564-0.2765-0.7201 ( 2338 PWs) bands (ev): -23.4408 -23.4408 -6.8519 -6.8519 -5.8573 -5.8573 -5.3720 -5.3720 -2.1739 -2.1739 -2.1205 -2.1205 6.7094 6.7094 6.9685 6.9685 7.5987 7.5987 8.0697 8.0697 8.2996 8.2996 8.6694 8.6694 12.1165 12.1165 13.1569 13.1569 14.5846 14.5846 15.8975 15.8975 k = 0.7510-0.2678-0.7033 ( 2344 PWs) bands (ev): -23.4440 -23.4440 -6.8467 -6.8467 -5.8435 -5.8435 -5.3741 -5.3741 -2.1770 -2.1770 -2.1193 -2.1193 6.7087 6.7087 6.9572 6.9572 7.6305 7.6305 8.0539 8.0539 8.2893 8.2893 8.7200 8.7200 12.0888 12.0888 13.1034 13.1034 14.6123 14.6123 15.8836 15.8836 k = 0.7457-0.2591-0.6865 ( 2344 PWs) bands (ev): -23.4475 -23.4475 -6.8403 -6.8403 -5.8303 -5.8303 -5.3756 -5.3756 -2.1800 -2.1800 -2.1179 -2.1179 6.7071 6.7071 6.9463 6.9463 7.6631 7.6631 8.0377 8.0377 8.2816 8.2816 8.7718 8.7718 12.0639 12.0639 13.0502 13.0502 14.6356 14.6356 15.8661 15.8661 k = 0.7403-0.2504-0.6698 ( 2340 PWs) bands (ev): -23.4511 -23.4511 -6.8327 -6.8327 -5.8181 -5.8181 -5.3766 -5.3766 -2.1831 -2.1831 -2.1163 -2.1163 6.7047 6.7047 6.9359 6.9359 7.6964 7.6964 8.0211 8.0211 8.2768 8.2768 8.8242 8.8242 12.0419 12.0419 12.9977 12.9977 14.6541 14.6541 15.8445 15.8445 k = 0.7350-0.2417-0.6530 ( 2340 PWs) bands (ev): -23.4550 -23.4550 -6.8239 -6.8239 -5.8070 -5.8070 -5.3766 -5.3766 -2.1861 -2.1861 -2.1145 -2.1145 6.7012 6.7012 6.9260 6.9260 7.7305 7.7305 8.0042 8.0042 8.2753 8.2753 8.8770 8.8770 12.0230 12.0230 12.9460 12.9460 14.6675 14.6675 15.8186 15.8186 k = 0.7297-0.2330-0.6362 ( 2338 PWs) bands (ev): -23.4591 -23.4591 -6.8140 -6.8140 -5.7971 -5.7971 -5.3757 -5.3757 -2.1892 -2.1892 -2.1125 -2.1125 6.6969 6.6969 6.9165 6.9165 7.7654 7.7654 7.9870 7.9870 8.2774 8.2774 8.9296 8.9296 12.0072 12.0072 12.8954 12.8954 14.6758 14.6758 15.7883 15.7883 k = 0.7243-0.2243-0.6194 ( 2336 PWs) bands (ev): -23.4634 -23.4634 -6.8030 -6.8030 -5.7886 -5.7886 -5.3735 -5.3735 -2.1922 -2.1922 -2.1104 -2.1104 6.6917 6.6917 6.9076 6.9076 7.8010 7.8010 7.9694 7.9694 8.2830 8.2830 8.9819 8.9819 11.9946 11.9946 12.8461 12.8461 14.6788 14.6788 15.7540 15.7540 k = 0.7190-0.2156-0.6026 ( 2336 PWs) bands (ev): -23.4679 -23.4679 -6.7910 -6.7910 -5.7816 -5.7816 -5.3701 -5.3701 -2.1952 -2.1952 -2.1081 -2.1081 6.6857 6.6857 6.8991 6.8991 7.8373 7.8373 7.9516 7.9516 8.2924 8.2924 9.0333 9.0333 11.9853 11.9853 12.7983 12.7983 14.6766 14.6766 15.7159 15.7159 k = 0.7136-0.2069-0.5858 ( 2336 PWs) bands (ev): -23.4726 -23.4726 -6.7781 -6.7781 -5.7760 -5.7760 -5.3652 -5.3652 -2.1983 -2.1983 -2.1057 -2.1057 6.6790 6.6790 6.8911 6.8911 7.8738 7.8738 7.9339 7.9339 8.3053 8.3053 9.0837 9.0837 11.9792 11.9792 12.7523 12.7523 14.6694 14.6694 15.6739 15.6739 k = 0.7083-0.1982-0.5690 ( 2340 PWs) bands (ev): -23.4774 -23.4774 -6.7643 -6.7643 -5.7719 -5.7719 -5.3589 -5.3589 -2.2014 -2.2014 -2.1033 -2.1033 6.6718 6.6718 6.8837 6.8837 7.9038 7.9038 7.9231 7.9231 8.3219 8.3219 9.1326 9.1326 11.9763 11.9763 12.7083 12.7083 14.6574 14.6574 15.6284 15.6284 k = 0.7030-0.1895-0.5522 ( 2340 PWs) bands (ev): -23.4824 -23.4824 -6.7499 -6.7499 -5.7691 -5.7691 -5.3512 -5.3512 -2.2046 -2.2046 -2.1008 -2.1008 6.6643 6.6643 6.8768 6.8768 7.8928 7.8928 7.9538 7.9538 8.3420 8.3420 9.1797 9.1797 11.9767 11.9767 12.6665 12.6665 14.6410 14.6410 15.5795 15.5795 k = 0.6976-0.1808-0.5354 ( 2340 PWs) bands (ev): -23.4875 -23.4875 -6.7348 -6.7348 -5.7673 -5.7673 -5.3422 -5.3422 -2.2078 -2.2078 -2.0983 -2.0983 6.6567 6.6567 6.8705 6.8705 7.8741 7.8741 7.9926 7.9926 8.3654 8.3654 9.2244 9.2244 11.9802 11.9802 12.6271 12.6271 14.6205 14.6205 15.5274 15.5274 k = 0.6923-0.1721-0.5186 ( 2336 PWs) bands (ev): -23.4928 -23.4928 -6.7194 -6.7194 -5.7664 -5.7664 -5.3318 -5.3318 -2.2112 -2.2112 -2.0959 -2.0959 6.6491 6.6491 6.8646 6.8646 7.8546 7.8546 8.0327 8.0327 8.3920 8.3920 9.2665 9.2665 11.9870 11.9870 12.5903 12.5903 14.5964 14.5964 15.4724 15.4724 k = 0.6869-0.1634-0.5018 ( 2340 PWs) bands (ev): -23.4982 -23.4982 -6.7038 -6.7038 -5.7661 -5.7661 -5.3203 -5.3203 -2.2146 -2.2146 -2.0935 -2.0935 6.6417 6.6417 6.8594 6.8594 7.8347 7.8347 8.0736 8.0736 8.4216 8.4216 9.3056 9.3056 11.9967 11.9967 12.5564 12.5564 14.5691 14.5691 15.4149 15.4149 k = 0.6816-0.1547-0.4850 ( 2340 PWs) bands (ev): -23.5037 -23.5037 -6.6881 -6.6881 -5.7660 -5.7660 -5.3078 -5.3078 -2.2182 -2.2182 -2.0913 -2.0913 6.6349 6.6349 6.8546 6.8546 7.8146 7.8146 8.1154 8.1154 8.4540 8.4540 9.3411 9.3411 12.0095 12.0095 12.5253 12.5253 14.5389 14.5389 15.3553 15.3553 k = 0.6763-0.1460-0.4683 ( 2342 PWs) bands (ev): -23.5093 -23.5093 -6.6727 -6.6727 -5.7659 -5.7659 -5.2945 -5.2945 -2.2220 -2.2220 -2.0893 -2.0893 6.6288 6.6288 6.8503 6.8503 7.7942 7.7942 8.1579 8.1579 8.4890 8.4890 9.3727 9.3727 12.0251 12.0251 12.4974 12.4974 14.5062 14.5062 15.2942 15.2942 k = 0.6709-0.1373-0.4515 ( 2336 PWs) bands (ev): -23.5150 -23.5150 -6.6577 -6.6577 -5.7653 -5.7653 -5.2803 -5.2803 -2.2259 -2.2259 -2.0874 -2.0874 6.6236 6.6236 6.8465 6.8465 7.7737 7.7737 8.2012 8.2012 8.5263 8.5263 9.4000 9.4000 12.0435 12.0435 12.4725 12.4725 14.4715 14.4715 15.2321 15.2321 k = 0.6656-0.1286-0.4347 ( 2334 PWs) bands (ev): -23.5207 -23.5207 -6.6434 -6.6434 -5.7640 -5.7640 -5.2655 -5.2655 -2.2299 -2.2299 -2.0858 -2.0858 6.6195 6.6195 6.8432 6.8432 7.7531 7.7531 8.2453 8.2453 8.5657 8.5657 9.4227 9.4227 12.0646 12.0646 12.4508 12.4508 14.4349 14.4349 15.1699 15.1699 k = 0.6602-0.1199-0.4179 ( 2332 PWs) bands (ev): -23.5265 -23.5265 -6.6300 -6.6300 -5.7617 -5.7617 -5.2502 -5.2502 -2.2342 -2.2342 -2.0846 -2.0846 6.6167 6.6167 6.8402 6.8402 7.7324 7.7324 8.2901 8.2901 8.6069 8.6069 9.4405 9.4405 12.0880 12.0880 12.4321 12.4321 14.3967 14.3967 15.1081 15.1081 k = 0.6549-0.1112-0.4011 ( 2334 PWs) bands (ev): -23.5323 -23.5323 -6.6177 -6.6177 -5.7582 -5.7582 -5.2344 -5.2344 -2.2386 -2.2386 -2.0837 -2.0837 6.6155 6.6155 6.8375 6.8375 7.7117 7.7117 8.3358 8.3358 8.6496 8.6496 9.4532 9.4532 12.1138 12.1138 12.4163 12.4163 14.3570 14.3570 15.0474 15.0474 k = 0.6496-0.1024-0.3843 ( 2336 PWs) bands (ev): -23.5381 -23.5381 -6.6068 -6.6068 -5.7532 -5.7532 -5.2182 -5.2182 -2.2433 -2.2433 -2.0831 -2.0831 6.6159 6.6159 6.8352 6.8352 7.6910 7.6910 8.3823 8.3823 8.6936 8.6936 9.4605 9.4605 12.1418 12.1418 12.4033 12.4033 14.3160 14.3160 14.9887 14.9887 k = 0.6442-0.0937-0.3675 ( 2340 PWs) bands (ev): -23.5439 -23.5439 -6.5973 -6.5973 -5.7465 -5.7465 -5.2016 -5.2016 -2.2481 -2.2481 -2.0830 -2.0830 6.6182 6.6182 6.8330 6.8330 7.6705 7.6705 8.4297 8.4297 8.7384 8.7384 9.4625 9.4625 12.1716 12.1716 12.3928 12.3928 14.2736 14.2736 14.9325 14.9325 k = 0.6389-0.0850-0.3507 ( 2340 PWs) bands (ev): -23.5496 -23.5496 -6.5895 -6.5895 -5.7381 -5.7381 -5.1847 -5.1847 -2.2531 -2.2531 -2.0834 -2.0834 6.6224 6.6224 6.8310 6.8310 7.6501 7.6501 8.4780 8.4780 8.7838 8.7838 9.4593 9.4593 12.2032 12.2032 12.3845 12.3845 14.2297 14.2297 14.8793 14.8793 k = 0.6335-0.0763-0.3339 ( 2344 PWs) bands (ev): -23.5554 -23.5554 -6.5834 -6.5834 -5.7279 -5.7279 -5.1676 -5.1676 -2.2582 -2.2582 -2.0843 -2.0843 6.6287 6.6287 6.8291 6.8291 7.6299 7.6299 8.5272 8.5272 8.8292 8.8292 9.4509 9.4509 12.2362 12.2362 12.3783 12.3783 14.1844 14.1844 14.8294 14.8294 k = 0.6282-0.0676-0.3171 ( 2342 PWs) bands (ev): -23.5610 -23.5610 -6.5789 -6.5789 -5.7159 -5.7159 -5.1502 -5.1502 -2.2635 -2.2635 -2.0857 -2.0857 6.6372 6.6372 6.8272 6.8272 7.6100 7.6100 8.5774 8.5774 8.8740 8.8740 9.4377 9.4377 12.2704 12.2704 12.3738 12.3738 14.1376 14.1376 14.7828 14.7828 k = 0.6228-0.0589-0.3003 ( 2340 PWs) bands (ev): -23.5666 -23.5666 -6.5762 -6.5762 -5.7023 -5.7023 -5.1325 -5.1325 -2.2689 -2.2689 -2.0876 -2.0876 6.6481 6.6481 6.8254 6.8254 7.5904 7.5904 8.6285 8.6285 8.9176 8.9176 9.4204 9.4204 12.3053 12.3053 12.3710 12.3710 14.0891 14.0891 14.7393 14.7393 k = 0.6175-0.0502-0.2835 ( 2342 PWs) bands (ev): -23.5721 -23.5721 -6.5751 -6.5751 -5.6873 -5.6873 -5.1145 -5.1145 -2.2744 -2.2744 -2.0901 -2.0901 6.6613 6.6613 6.8234 6.8234 7.5711 7.5711 8.6805 8.6805 8.9588 8.9588 9.4000 9.4000 12.3390 12.3390 12.3714 12.3714 14.0389 14.0389 14.6982 14.6982 k = 0.6122-0.0415-0.2668 ( 2342 PWs) bands (ev): -23.5775 -23.5775 -6.5754 -6.5754 -5.6710 -5.6710 -5.0963 -5.0963 -2.2800 -2.2800 -2.0931 -2.0931 6.6770 6.6770 6.8214 6.8214 7.5523 7.5523 8.7335 8.7335 8.9960 8.9960 9.3780 9.3780 12.3590 12.3590 12.3869 12.3869 13.9870 13.9870 14.6585 14.6585 k = 0.6068-0.0328-0.2500 ( 2346 PWs) bands (ev): -23.5828 -23.5828 -6.5771 -6.5771 -5.6536 -5.6536 -5.0779 -5.0779 -2.2857 -2.2857 -2.0967 -2.0967 6.6952 6.6952 6.8193 6.8193 7.5339 7.5339 8.7874 8.7874 9.0265 9.0265 9.3571 9.3571 12.3624 12.3624 12.4204 12.4204 13.9333 13.9333 14.6188 14.6188 k = 0.6015-0.0241-0.2332 ( 2348 PWs) bands (ev): -23.5879 -23.5879 -6.5800 -6.5800 -5.6356 -5.6356 -5.0592 -5.0592 -2.2913 -2.2913 -2.1009 -2.1009 6.7159 6.7159 6.8171 6.8171 7.5161 7.5161 8.8421 8.8421 9.0463 9.0463 9.3414 9.3414 12.3640 12.3640 12.4565 12.4565 13.8780 13.8780 14.5776 14.5776 k = 0.5961-0.0154-0.2164 ( 2344 PWs) bands (ev): -23.5929 -23.5929 -6.5839 -6.5839 -5.6170 -5.6170 -5.0403 -5.0403 -2.2970 -2.2970 -2.1055 -2.1055 6.7391 6.7391 6.8148 6.8148 7.4987 7.4987 8.8974 8.8974 9.0505 9.0505 9.3359 9.3359 12.3662 12.3662 12.4927 12.4927 13.8212 13.8212 14.5332 14.5332 k = 0.5908-0.0067-0.1996 ( 2340 PWs) bands (ev): -23.5977 -23.5977 -6.5886 -6.5886 -5.5983 -5.5983 -5.0212 -5.0212 -2.3026 -2.3026 -2.1106 -2.1106 6.7646 6.7646 6.8125 6.8125 7.4820 7.4820 8.9531 8.9531 9.0370 9.0370 9.3431 9.3431 12.3697 12.3697 12.5282 12.5282 13.7634 13.7634 14.4846 14.4846 k = 0.5855 0.0020-0.1828 ( 2336 PWs) bands (ev): -23.6022 -23.6022 -6.5940 -6.5940 -5.5797 -5.5797 -5.0020 -5.0020 -2.3081 -2.3081 -2.1162 -2.1162 6.7916 6.7916 6.8111 6.8111 7.4659 7.4659 8.9996 8.9996 9.0170 9.0170 9.3611 9.3611 12.3748 12.3748 12.5625 12.5625 13.7050 13.7050 14.4310 14.4310 k = 0.5801 0.0107-0.1660 ( 2334 PWs) bands (ev): -23.6066 -23.6066 -6.5999 -6.5999 -5.5614 -5.5614 -4.9827 -4.9827 -2.3134 -2.3134 -2.1222 -2.1222 6.8043 6.8043 6.8264 6.8264 7.4505 7.4505 8.9637 8.9637 9.0678 9.0678 9.3859 9.3859 12.3819 12.3819 12.5951 12.5951 13.6464 13.6464 14.3726 14.3726 k = 0.5748 0.0194-0.1492 ( 2332 PWs) bands (ev): -23.6108 -23.6108 -6.6061 -6.6061 -5.5436 -5.5436 -4.9635 -4.9635 -2.3186 -2.3186 -2.1285 -2.1285 6.8025 6.8025 6.8584 6.8584 7.4359 7.4359 8.9143 8.9143 9.1241 9.1241 9.4139 9.4139 12.3912 12.3912 12.6252 12.6252 13.5886 13.5886 14.3097 14.3097 k = 0.5694 0.0281-0.1324 ( 2330 PWs) bands (ev): -23.6148 -23.6148 -6.6124 -6.6124 -5.5266 -5.5266 -4.9445 -4.9445 -2.3236 -2.3236 -2.1350 -2.1350 6.7998 6.7998 6.8934 6.8934 7.4220 7.4220 8.8591 8.8591 9.1803 9.1803 9.4430 9.4430 12.4029 12.4029 12.6524 12.6524 13.5323 13.5323 14.2433 14.2433 k = 0.5641 0.0368-0.1156 ( 2336 PWs) bands (ev): -23.6185 -23.6185 -6.6188 -6.6188 -5.5105 -5.5105 -4.9258 -4.9258 -2.3283 -2.3283 -2.1417 -2.1417 6.7969 6.7969 6.9307 6.9307 7.4089 7.4089 8.8003 8.8003 9.2357 9.2357 9.4717 9.4717 12.4173 12.4173 12.6760 12.6760 13.4785 13.4785 14.1744 14.1744 k = 0.5588 0.0455-0.0988 ( 2338 PWs) bands (ev): -23.6219 -23.6219 -6.6251 -6.6251 -5.4955 -5.4955 -4.9075 -4.9075 -2.3328 -2.3328 -2.1484 -2.1484 6.7940 6.7940 6.9698 6.9698 7.3966 7.3966 8.7390 8.7390 9.2900 9.2900 9.4991 9.4991 12.4345 12.4345 12.6952 12.6952 13.4283 13.4283 14.1041 14.1041 k = 0.5534 0.0542-0.0821 ( 2346 PWs) bands (ev): -23.6251 -23.6251 -6.6312 -6.6312 -5.4816 -5.4816 -4.8899 -4.8899 -2.3370 -2.3370 -2.1551 -2.1551 6.7911 6.7911 7.0104 7.0104 7.3853 7.3853 8.6764 8.6764 9.3426 9.3426 9.5248 9.5248 12.4542 12.4542 12.7093 12.7093 13.3830 13.3830 14.0336 14.0336 k = 0.5481 0.0629-0.0653 ( 2342 PWs) bands (ev): -23.6281 -23.6281 -6.6370 -6.6370 -5.4689 -5.4689 -4.8731 -4.8731 -2.3408 -2.3408 -2.1616 -2.1616 6.7883 6.7883 7.0521 7.0521 7.3749 7.3749 8.6135 8.6135 9.3929 9.3929 9.5484 9.5484 12.4765 12.4765 12.7178 12.7178 13.3436 13.3436 13.9638 13.9638 k = 0.5427 0.0716-0.0485 ( 2336 PWs) bands (ev): -23.6307 -23.6307 -6.6425 -6.6425 -5.4576 -5.4576 -4.8574 -4.8574 -2.3442 -2.3442 -2.1679 -2.1679 6.7857 6.7857 7.0944 7.0944 7.3655 7.3655 8.5511 8.5511 9.4405 9.4405 9.5698 9.5698 12.5009 12.5009 12.7204 12.7204 13.3108 13.3108 13.8957 13.8957 k = 0.5374 0.0803-0.0317 ( 2334 PWs) bands (ev): -23.6330 -23.6330 -6.6474 -6.6474 -5.4475 -5.4475 -4.8430 -4.8430 -2.3473 -2.3473 -2.1738 -2.1738 6.7833 6.7833 7.1366 7.1366 7.3571 7.3571 8.4904 8.4904 9.4845 9.4845 9.5888 9.5888 12.5268 12.5268 12.7176 12.7176 13.2849 13.2849 13.8304 13.8304 k = 0.5320 0.0890-0.0149 ( 2338 PWs) bands (ev): -23.6351 -23.6351 -6.6518 -6.6518 -5.4388 -5.4388 -4.8300 -4.8300 -2.3500 -2.3500 -2.1791 -2.1791 6.7811 6.7811 7.1779 7.1779 7.3498 7.3498 8.4325 8.4325 9.5242 9.5242 9.6054 9.6054 12.5535 12.5535 12.7101 12.7101 13.2657 13.2657 13.7691 13.7691 k = 0.5267 0.0977 0.0019 ( 2336 PWs) bands (ev): -23.6368 -23.6368 -6.6556 -6.6556 -5.4314 -5.4314 -4.8186 -4.8186 -2.3523 -2.3523 -2.1839 -2.1839 6.7792 6.7792 7.2172 7.2172 7.3435 7.3435 8.3787 8.3787 9.5590 9.5590 9.6198 9.6198 12.5800 12.5800 12.6997 12.6997 13.2523 13.2523 13.7130 13.7130 k = 0.5214 0.1064 0.0187 ( 2328 PWs) bands (ev): -23.6383 -23.6383 -6.6588 -6.6588 -5.4253 -5.4253 -4.8090 -4.8090 -2.3542 -2.3542 -2.1880 -2.1880 6.7776 6.7776 7.2530 7.2530 7.3384 7.3384 8.3306 8.3306 9.5878 9.5878 9.6322 9.6322 12.6049 12.6049 12.6879 12.6879 13.2435 13.2435 13.6636 13.6636 k = 0.5160 0.1151 0.0355 ( 2330 PWs) bands (ev): -23.6394 -23.6394 -6.6614 -6.6614 -5.4207 -5.4207 -4.8015 -4.8015 -2.3556 -2.3556 -2.1912 -2.1912 6.7763 6.7763 7.2837 7.2837 7.3346 7.3346 8.2902 8.2902 9.6099 9.6099 9.6429 9.6429 12.6269 12.6269 12.6766 12.6766 13.2381 13.2381 13.6225 13.6225 k = 0.5107 0.1238 0.0523 ( 2324 PWs) bands (ev): -23.6402 -23.6402 -6.6632 -6.6632 -5.4173 -5.4173 -4.7959 -4.7959 -2.3567 -2.3567 -2.1936 -2.1936 6.7754 6.7754 7.3072 7.3072 7.3322 7.3322 8.2592 8.2592 9.6246 9.6246 9.6520 9.6520 12.6442 12.6442 12.6673 12.6673 13.2352 13.2352 13.5914 13.5914 k = 0.5053 0.1325 0.0691 ( 2324 PWs) bands (ev): -23.6407 -23.6407 -6.6643 -6.6643 -5.4153 -5.4153 -4.7926 -4.7926 -2.3573 -2.3573 -2.1951 -2.1951 6.7748 6.7748 7.3207 7.3207 7.3322 7.3322 8.2397 8.2397 9.6326 9.6326 9.6585 9.6585 12.6553 12.6553 12.6613 12.6613 13.2337 13.2337 13.5720 13.5720 k = 0.5000 0.1412 0.0859 ( 2324 PWs) bands (ev): -23.6408 -23.6408 -6.6646 -6.6646 -5.4146 -5.4146 -4.7915 -4.7915 -2.3575 -2.3575 -2.1956 -2.1956 6.7746 6.7746 7.3239 7.3239 7.3338 7.3338 8.2330 8.2330 9.6350 9.6350 9.6609 9.6609 12.6587 12.6587 12.6597 12.6597 13.2333 13.2333 13.5653 13.5653 k = 0.5000 0.1412 0.0859 ( 2324 PWs) bands (ev): -23.6408 -23.6408 -6.6646 -6.6646 -5.4146 -5.4146 -4.7915 -4.7915 -2.3575 -2.3575 -2.1956 -2.1956 6.7746 6.7746 7.3239 7.3239 7.3338 7.3338 8.2330 8.2330 9.6350 9.6350 9.6609 9.6609 12.6587 12.6587 12.6597 12.6597 13.2333 13.2333 13.5653 13.5653 k = 0.4815 0.1360 0.0827 ( 2324 PWs) bands (ev): -23.6408 -23.6408 -6.6642 -6.6642 -5.4145 -5.4145 -4.7915 -4.7915 -2.3796 -2.3796 -2.1737 -2.1737 6.7681 6.7681 7.3232 7.3232 7.3330 7.3330 8.2413 8.2413 9.6367 9.6367 9.6626 9.6626 12.6579 12.6579 12.6588 12.6588 13.2274 13.2274 13.5716 13.5716 k = 0.4630 0.1307 0.0795 ( 2320 PWs) bands (ev): -23.6408 -23.6408 -6.6630 -6.6630 -5.4140 -5.4140 -4.7915 -4.7915 -2.4276 -2.4276 -2.1262 -2.1262 6.7491 6.7491 7.3211 7.3211 7.3309 7.3309 8.2656 8.2656 9.6418 9.6418 9.6678 9.6678 12.6552 12.6552 12.6561 12.6561 13.2108 13.2108 13.5892 13.5892 k = 0.4444 0.1255 0.0763 ( 2326 PWs) bands (ev): -23.6408 -23.6408 -6.6609 -6.6609 -5.4132 -5.4132 -4.7914 -4.7914 -2.4842 -2.4842 -2.0707 -2.0707 6.7188 6.7188 7.3176 7.3176 7.3275 7.3275 8.3047 8.3047 9.6503 9.6503 9.6764 9.6764 12.6509 12.6509 12.6516 12.6516 13.1865 13.1865 13.6152 13.6152 k = 0.4259 0.1203 0.0731 ( 2326 PWs) bands (ev): -23.6409 -23.6409 -6.6581 -6.6581 -5.4120 -5.4120 -4.7914 -4.7914 -2.5436 -2.5436 -2.0126 -2.0126 6.6792 6.6792 7.3128 7.3128 7.3227 7.3227 8.3566 8.3566 9.6619 9.6619 9.6883 9.6883 12.6449 12.6449 12.6456 12.6456 13.1569 13.1569 13.6465 13.6465 k = 0.4074 0.1151 0.0700 ( 2326 PWs) bands (ev): -23.6409 -23.6409 -6.6545 -6.6545 -5.4106 -5.4106 -4.7914 -4.7914 -2.6040 -2.6040 -1.9540 -1.9540 6.6321 6.6321 7.3067 7.3067 7.3168 7.3168 8.4194 8.4194 9.6766 9.6766 9.7033 9.7033 12.6374 12.6374 12.6379 12.6379 13.1243 13.1243 13.6810 13.6810 k = 0.3889 0.1098 0.0668 ( 2326 PWs) bands (ev): -23.6409 -23.6409 -6.6501 -6.6501 -5.4088 -5.4088 -4.7913 -4.7913 -2.6644 -2.6644 -1.8957 -1.8957 6.5796 6.5796 7.2996 7.2996 7.3097 7.3097 8.4911 8.4911 9.6941 9.6941 9.7213 9.7213 12.6285 12.6285 12.6288 12.6288 13.0897 13.0897 13.7167 13.7167 k = 0.3704 0.1046 0.0636 ( 2326 PWs) bands (ev): -23.6410 -23.6410 -6.6451 -6.6451 -5.4068 -5.4068 -4.7913 -4.7913 -2.7245 -2.7245 -1.8381 -1.8381 6.5232 6.5232 7.2916 7.2916 7.3018 7.3018 8.5699 8.5699 9.7143 9.7143 9.7419 9.7419 12.6183 12.6183 12.6185 12.6185 13.0541 13.0541 13.7524 13.7524 k = 0.3519 0.0994 0.0604 ( 2326 PWs) bands (ev): -23.6410 -23.6410 -6.6395 -6.6395 -5.4044 -5.4044 -4.7913 -4.7913 -2.7838 -2.7838 -1.7816 -1.7816 6.4644 6.4644 7.2827 7.2827 7.2930 7.2930 8.6543 8.6543 9.7369 9.7369 9.7649 9.7649 12.6070 12.6070 12.6070 12.6070 13.0179 13.0179 13.7870 13.7870 k = 0.3333 0.0941 0.0572 ( 2326 PWs) bands (ev): -23.6411 -23.6411 -6.6334 -6.6334 -5.4018 -5.4018 -4.7912 -4.7912 -2.8420 -2.8420 -1.7265 -1.7265 6.4044 6.4044 7.2731 7.2731 7.2835 7.2835 8.7429 8.7429 9.7615 9.7615 9.7901 9.7901 12.5946 12.5946 12.5948 12.5948 12.9813 12.9813 13.8193 13.8193 k = 0.3148 0.0889 0.0541 ( 2320 PWs) bands (ev): -23.6411 -23.6411 -6.6268 -6.6268 -5.3989 -5.3989 -4.7911 -4.7911 -2.8990 -2.8990 -1.6729 -1.6729 6.3441 6.3441 7.2630 7.2630 7.2735 7.2735 8.8348 8.8348 9.7879 9.7879 9.8171 9.8171 12.5815 12.5815 12.5819 12.5819 12.9445 12.9445 13.8487 13.8487 k = 0.2963 0.0837 0.0509 ( 2317 PWs) bands (ev): -23.6412 -23.6412 -6.6199 -6.6199 -5.3958 -5.3958 -4.7911 -4.7911 -2.9544 -2.9544 -1.6212 -1.6212 6.2844 6.2844 7.2525 7.2525 7.2632 7.2632 8.9287 8.9287 9.8157 9.8157 9.8456 9.8456 12.5678 12.5678 12.5684 12.5684 12.9076 12.9076 13.8741 13.8741 k = 0.2778 0.0784 0.0477 ( 2317 PWs) bands (ev): -23.6412 -23.6412 -6.6126 -6.6126 -5.3925 -5.3925 -4.7910 -4.7910 -3.0080 -3.0080 -1.5715 -1.5715 6.2260 6.2260 7.2419 7.2419 7.2527 7.2527 9.0240 9.0240 9.8446 9.8446 9.8751 9.8751 12.5537 12.5537 12.5545 12.5545 12.8707 12.8707 13.8950 13.8950 k = 0.2593 0.0732 0.0445 ( 2323 PWs) bands (ev): -23.6413 -23.6413 -6.6052 -6.6052 -5.3890 -5.3890 -4.7910 -4.7910 -3.0596 -3.0596 -1.5240 -1.5240 6.1693 6.1693 7.2312 7.2312 7.2421 7.2421 9.1197 9.1197 9.8742 9.8742 9.9054 9.9054 12.5395 12.5395 12.5404 12.5404 12.8336 12.8336 13.9110 13.9110 k = 0.2407 0.0680 0.0413 ( 2332 PWs) bands (ev): -23.6414 -23.6414 -6.5976 -6.5976 -5.3853 -5.3853 -4.7909 -4.7909 -3.1090 -3.1090 -1.4788 -1.4788 6.1148 6.1148 7.2205 7.2205 7.2316 7.2316 9.2150 9.2150 9.9042 9.9042 9.9361 9.9361 12.5253 12.5253 12.5263 12.5263 12.7965 12.7965 13.9216 13.9216 k = 0.2222 0.0628 0.0382 ( 2341 PWs) bands (ev): -23.6414 -23.6414 -6.5901 -6.5901 -5.3816 -5.3816 -4.7909 -4.7909 -3.1560 -3.1560 -1.4362 -1.4362 6.0630 6.0630 7.2101 7.2101 7.2213 7.2213 9.3092 9.3092 9.9341 9.9341 9.9667 9.9667 12.5113 12.5113 12.5123 12.5123 12.7594 12.7594 13.9270 13.9270 k = 0.2037 0.0575 0.0350 ( 2347 PWs) bands (ev): -23.6415 -23.6415 -6.5827 -6.5827 -5.3778 -5.3778 -4.7908 -4.7908 -3.2003 -3.2003 -1.3963 -1.3963 6.0142 6.0142 7.2001 7.2001 7.2114 7.2114 9.4015 9.4015 9.9635 9.9635 9.9968 9.9968 12.4977 12.4977 12.4986 12.4986 12.7225 12.7225 13.9274 13.9274 k = 0.1852 0.0523 0.0318 ( 2350 PWs) bands (ev): -23.6415 -23.6415 -6.5754 -6.5754 -5.3740 -5.3740 -4.7907 -4.7907 -3.2417 -3.2417 -1.3592 -1.3592 5.9687 5.9687 7.1906 7.1906 7.2020 7.2020 9.4909 9.4909 9.9922 9.9922 10.0261 10.0261 12.4847 12.4847 12.4853 12.4853 12.6859 12.6859 13.9235 13.9235 k = 0.1667 0.0471 0.0286 ( 2350 PWs) bands (ev): -23.6416 -23.6416 -6.5685 -6.5685 -5.3703 -5.3703 -4.7907 -4.7907 -3.2800 -3.2800 -1.3252 -1.3252 5.9267 5.9267 7.1816 7.1816 7.1931 7.1931 9.5767 9.5767 10.0196 10.0196 10.0541 10.0541 12.4723 12.4723 12.4724 12.4724 12.6499 12.6499 13.9161 13.9161 k = 0.1481 0.0418 0.0254 ( 2350 PWs) bands (ev): -23.6416 -23.6416 -6.5621 -6.5621 -5.3667 -5.3667 -4.7906 -4.7906 -3.3150 -3.3150 -1.2943 -1.2943 5.8886 5.8886 7.1733 7.1733 7.1849 7.1849 9.6577 9.6577 10.0455 10.0455 10.0805 10.0805 12.4601 12.4601 12.4608 12.4608 12.6152 12.6152 13.9061 13.9061 k = 0.1296 0.0366 0.0223 ( 2344 PWs) bands (ev): -23.6417 -23.6417 -6.5561 -6.5561 -5.3633 -5.3633 -4.7906 -4.7906 -3.3464 -3.3464 -1.2668 -1.2668 5.8544 5.8544 7.1658 7.1658 7.1775 7.1775 9.7331 9.7331 10.0694 10.0694 10.1048 10.1048 12.4483 12.4483 12.4503 12.4503 12.5823 12.5823 13.8945 13.8945 k = 0.1111 0.0314 0.0191 ( 2332 PWs) bands (ev): -23.6417 -23.6417 -6.5507 -6.5507 -5.3601 -5.3601 -4.7905 -4.7905 -3.3741 -3.3741 -1.2426 -1.2426 5.8245 5.8245 7.1591 7.1591 7.1709 7.1709 9.8016 9.8016 10.0910 10.0910 10.1267 10.1267 12.4370 12.4370 12.4410 12.4410 12.5520 12.5520 13.8824 13.8824 k = 0.0926 0.0261 0.0159 ( 2323 PWs) bands (ev): -23.6417 -23.6417 -6.5460 -6.5460 -5.3573 -5.3573 -4.7905 -4.7905 -3.3979 -3.3979 -1.2219 -1.2219 5.7989 5.7989 7.1534 7.1534 7.1652 7.1652 9.8622 9.8622 10.1101 10.1101 10.1459 10.1459 12.4262 12.4262 12.4329 12.4329 12.5253 12.5253 13.8705 13.8705 k = 0.0741 0.0209 0.0127 ( 2320 PWs) bands (ev): -23.6418 -23.6418 -6.5420 -6.5420 -5.3549 -5.3549 -4.7904 -4.7904 -3.4176 -3.4176 -1.2049 -1.2049 5.7778 5.7778 7.1486 7.1486 7.1605 7.1605 9.9136 9.9136 10.1263 10.1263 10.1621 10.1621 12.4160 12.4160 12.4261 12.4261 12.5031 12.5031 13.8597 13.8597 k = 0.0556 0.0157 0.0095 ( 2320 PWs) bands (ev): -23.6418 -23.6418 -6.5389 -6.5389 -5.3530 -5.3530 -4.7904 -4.7904 -3.4331 -3.4331 -1.1916 -1.1916 5.7612 5.7612 7.1448 7.1448 7.1568 7.1568 9.9548 9.9548 10.1393 10.1393 10.1750 10.1750 12.4065 12.4065 12.4207 12.4207 12.4860 12.4860 13.8507 13.8507 k = 0.0370 0.0105 0.0064 ( 2320 PWs) bands (ev): -23.6418 -23.6418 -6.5366 -6.5366 -5.3516 -5.3516 -4.7904 -4.7904 -3.4442 -3.4442 -1.1820 -1.1820 5.7493 5.7493 7.1421 7.1421 7.1541 7.1541 9.9849 9.9849 10.1489 10.1489 10.1843 10.1843 12.3986 12.3986 12.4168 12.4168 12.4742 12.4742 13.8439 13.8439 k = 0.0185 0.0052 0.0032 ( 2323 PWs) bands (ev): -23.6418 -23.6418 -6.5353 -6.5353 -5.3507 -5.3507 -4.7904 -4.7904 -3.4510 -3.4510 -1.1763 -1.1763 5.7422 5.7422 7.1404 7.1404 7.1525 7.1525 10.0033 10.0033 10.1548 10.1548 10.1900 10.1900 12.3933 12.3933 12.4145 12.4145 12.4673 12.4673 13.8397 13.8397 k = 0.0000 0.0000 0.0000 ( 2329 PWs) bands (ev): -23.6418 -23.6418 -6.5348 -6.5348 -5.3505 -5.3505 -4.7904 -4.7904 -3.4532 -3.4532 -1.1743 -1.1743 5.7398 5.7398 7.1399 7.1399 7.1519 7.1519 10.0094 10.0094 10.1568 10.1568 10.1919 10.1919 12.3914 12.3914 12.4137 12.4137 12.4651 12.4651 13.8383 13.8383 k = 0.0000 0.0000 0.0000 ( 2329 PWs) bands (ev): -23.6418 -23.6418 -6.5348 -6.5348 -5.3505 -5.3505 -4.7904 -4.7904 -3.4532 -3.4532 -1.1743 -1.1743 5.7398 5.7398 7.1399 7.1399 7.1519 7.1519 10.0094 10.0094 10.1568 10.1568 10.1919 10.1919 12.3914 12.3914 12.4137 12.4137 12.4651 12.4651 13.8383 13.8383 k = 0.0054-0.0087-0.0168 ( 2325 PWs) bands (ev): -23.6417 -23.6417 -6.5347 -6.5347 -5.3512 -5.3512 -4.7917 -4.7917 -3.4514 -3.4514 -1.1755 -1.1755 5.7418 5.7418 7.1406 7.1406 7.1526 7.1526 10.0074 10.0074 10.1513 10.1513 10.1865 10.1865 12.3937 12.3937 12.4161 12.4161 12.4675 12.4675 13.8418 13.8418 k = 0.0107-0.0174-0.0336 ( 2325 PWs) bands (ev): -23.6412 -23.6412 -6.5342 -6.5342 -5.3534 -5.3534 -4.7956 -4.7956 -3.4461 -3.4461 -1.1789 -1.1789 5.7479 5.7479 7.1426 7.1426 7.1549 7.1549 10.0014 10.0014 10.1336 10.1336 10.1720 10.1720 12.4001 12.4001 12.4236 12.4236 12.4749 12.4749 13.8523 13.8523 k = 0.0161-0.0262-0.0505 ( 2325 PWs) bands (ev): -23.6404 -23.6404 -6.5334 -6.5334 -5.3571 -5.3571 -4.8020 -4.8020 -3.4372 -3.4372 -1.1847 -1.1847 5.7579 5.7579 7.1457 7.1457 7.1587 7.1587 9.9913 9.9913 10.1011 10.1011 10.1520 10.1520 12.4091 12.4091 12.4357 12.4357 12.4886 12.4886 13.8693 13.8693 k = 0.0214-0.0349-0.0673 ( 2333 PWs) bands (ev): -23.6392 -23.6392 -6.5324 -6.5324 -5.3623 -5.3623 -4.8107 -4.8107 -3.4250 -3.4250 -1.1927 -1.1927 5.7719 5.7719 7.1498 7.1498 7.1643 7.1643 9.9763 9.9763 10.0544 10.0544 10.1280 10.1280 12.4200 12.4200 12.4507 12.4507 12.5101 12.5101 13.8925 13.8925 k = 0.0268-0.0436-0.0841 ( 2333 PWs) bands (ev): -23.6378 -23.6378 -6.5311 -6.5311 -5.3690 -5.3690 -4.8216 -4.8216 -3.4096 -3.4096 -1.2029 -1.2029 5.7898 5.7898 7.1546 7.1546 7.1719 7.1719 9.9538 9.9538 9.9983 9.9983 10.0999 10.0999 12.4327 12.4327 12.4667 12.4667 12.5402 12.5402 13.9209 13.9209 k = 0.0321-0.0523-0.1009 ( 2341 PWs) bands (ev): -23.6360 -23.6360 -6.5296 -6.5296 -5.3772 -5.3772 -4.8343 -4.8343 -3.3911 -3.3911 -1.2152 -1.2152 5.8115 5.8115 7.1600 7.1600 7.1814 7.1814 9.9065 9.9065 9.9519 9.9519 10.0677 10.0677 12.4474 12.4474 12.4833 12.4833 12.5781 12.5781 13.9538 13.9538 k = 0.0375-0.0610-0.1177 ( 2337 PWs) bands (ev): -23.6340 -23.6340 -6.5278 -6.5278 -5.3869 -5.3869 -4.8487 -4.8487 -3.3698 -3.3698 -1.2297 -1.2297 5.8368 5.8368 7.1660 7.1660 7.1928 7.1928 9.8306 9.8306 9.9204 9.9204 10.0322 10.0322 12.4639 12.4639 12.5009 12.5009 12.6225 12.6225 13.9902 13.9902 k = 0.0428-0.0697-0.1346 ( 2333 PWs) bands (ev): -23.6316 -23.6316 -6.5260 -6.5260 -5.3981 -5.3981 -4.8644 -4.8644 -3.3458 -3.3458 -1.2461 -1.2461 5.8658 5.8658 7.1724 7.1724 7.2060 7.2060 9.7429 9.7429 9.8880 9.8880 9.9944 9.9944 12.4822 12.4822 12.5195 12.5195 12.6724 12.6724 14.0291 14.0291 k = 0.0482-0.0785-0.1514 ( 2335 PWs) bands (ev): -23.6289 -23.6289 -6.5241 -6.5241 -5.4107 -5.4107 -4.8812 -4.8812 -3.3194 -3.3194 -1.2645 -1.2645 5.8982 5.8982 7.1793 7.1793 7.2208 7.2208 9.6481 9.6481 9.8509 9.8509 9.9556 9.9556 12.5020 12.5020 12.5395 12.5395 12.7269 12.7269 14.0693 14.0693 k = 0.0535-0.0872-0.1682 ( 2339 PWs) bands (ev): -23.6260 -23.6260 -6.5221 -6.5221 -5.4247 -5.4247 -4.8988 -4.8988 -3.2908 -3.2908 -1.2848 -1.2848 5.9340 5.9340 7.1865 7.1865 7.2373 7.2373 9.5478 9.5478 9.8081 9.8081 9.9170 9.9170 12.5233 12.5233 12.5607 12.5607 12.7855 12.7855 14.1100 14.1100 k = 0.0589-0.0959-0.1850 ( 2345 PWs) bands (ev): -23.6228 -23.6228 -6.5203 -6.5203 -5.4401 -5.4401 -4.9170 -4.9170 -3.2601 -3.2601 -1.3068 -1.3068 5.9729 5.9729 7.1940 7.1940 7.2553 7.2553 9.4435 9.4435 9.7593 9.7593 9.8791 9.8791 12.5457 12.5457 12.5832 12.5832 12.8477 12.8477 14.1504 14.1504 k = 0.0642-0.1046-0.2019 ( 2337 PWs) bands (ev): -23.6193 -23.6193 -6.5185 -6.5185 -5.4566 -5.4566 -4.9355 -4.9355 -3.2277 -3.2277 -1.3304 -1.3304 6.0147 6.0147 7.2017 7.2017 7.2746 7.2746 9.3362 9.3362 9.7053 9.7053 9.8422 9.8422 12.5690 12.5690 12.6070 12.6070 12.9133 12.9133 14.1895 14.1895 k = 0.0696-0.1133-0.2187 ( 2341 PWs) bands (ev): -23.6155 -23.6155 -6.5170 -6.5170 -5.4742 -5.4742 -4.9541 -4.9541 -3.1935 -3.1935 -1.3555 -1.3555 6.0594 6.0594 7.2094 7.2094 7.2950 7.2950 9.2267 9.2267 9.6469 9.6469 9.8058 9.8058 12.5930 12.5930 12.6320 12.6320 12.9821 12.9821 14.2270 14.2270 k = 0.0749-0.1220-0.2355 ( 2337 PWs) bands (ev): -23.6115 -23.6115 -6.5159 -6.5159 -5.4928 -5.4928 -4.9728 -4.9728 -3.1579 -3.1579 -1.3821 -1.3821 6.1067 6.1067 7.2170 7.2170 7.3165 7.3165 9.1159 9.1159 9.5851 9.5851 9.7699 9.7699 12.6175 12.6175 12.6583 12.6583 13.0538 13.0538 14.2624 14.2624 k = 0.0803-0.1308-0.2523 ( 2341 PWs) bands (ev): -23.6073 -23.6073 -6.5152 -6.5152 -5.5121 -5.5121 -4.9915 -4.9915 -3.1209 -3.1209 -1.4100 -1.4100 6.1564 6.1564 7.2244 7.2244 7.3388 7.3388 9.0045 9.0045 9.5206 9.5206 9.7341 9.7341 12.6422 12.6422 12.6858 12.6858 13.1283 13.1283 14.2955 14.2955 k = 0.0856-0.1395-0.2691 ( 2343 PWs) bands (ev): -23.6029 -23.6029 -6.5150 -6.5150 -5.5319 -5.5319 -5.0099 -5.0099 -3.0827 -3.0827 -1.4390 -1.4390 6.2082 6.2082 7.2316 7.2316 7.3616 7.3616 8.8934 8.8934 9.4541 9.4541 9.6987 9.6987 12.6668 12.6668 12.7146 12.7146 13.2052 13.2052 14.3262 14.3262 k = 0.0910-0.1482-0.2860 ( 2339 PWs) bands (ev): -23.5982 -23.5982 -6.5156 -6.5156 -5.5519 -5.5519 -5.0281 -5.0281 -3.0435 -3.0435 -1.4691 -1.4691 6.2621 6.2621 7.2383 7.2383 7.3845 7.3845 8.7832 8.7832 9.3861 9.3861 9.6635 9.6635 12.6913 12.6913 12.7446 12.7446 13.2845 13.2845 14.3545 14.3545 k = 0.0963-0.1569-0.3028 ( 2339 PWs) bands (ev): -23.5934 -23.5934 -6.5169 -6.5169 -5.5719 -5.5719 -5.0461 -5.0461 -3.0034 -3.0034 -1.5000 -1.5000 6.3178 6.3178 7.2446 7.2446 7.4071 7.4071 8.6747 8.6747 9.3171 9.3171 9.6288 9.6288 12.7154 12.7154 12.7757 12.7757 13.3657 13.3657 14.3803 14.3803 k = 0.1017-0.1656-0.3196 ( 2339 PWs) bands (ev): -23.5884 -23.5884 -6.5193 -6.5193 -5.5917 -5.5917 -5.0638 -5.0638 -2.9624 -2.9624 -1.5317 -1.5317 6.3749 6.3749 7.2503 7.2503 7.4286 7.4286 8.5690 8.5690 9.2475 9.2475 9.5946 9.5946 12.7390 12.7390 12.8079 12.8079 13.4488 13.4488 14.4040 14.4040 k = 0.1070-0.1743-0.3364 ( 2339 PWs) bands (ev): -23.5833 -23.5833 -6.5227 -6.5227 -5.6109 -5.6109 -5.0812 -5.0812 -2.9209 -2.9209 -1.5641 -1.5641 6.4334 6.4334 7.2553 7.2553 7.4483 7.4483 8.4669 8.4669 9.1775 9.1775 9.5611 9.5611 12.7619 12.7619 12.8410 12.8410 13.5332 13.5332 14.4256 14.4256 k = 0.1124-0.1831-0.3532 ( 2339 PWs) bands (ev): -23.5779 -23.5779 -6.5272 -6.5272 -5.6294 -5.6294 -5.0984 -5.0984 -2.8788 -2.8788 -1.5970 -1.5970 6.4930 6.4930 7.2595 7.2595 7.4649 7.4649 8.3700 8.3700 9.1076 9.1076 9.5284 9.5284 12.7840 12.7840 12.8751 12.8751 13.6188 13.6188 14.4451 14.4451 k = 0.1177-0.1918-0.3701 ( 2343 PWs) bands (ev): -23.5725 -23.5725 -6.5330 -6.5330 -5.6468 -5.6468 -5.1154 -5.1154 -2.8363 -2.8363 -1.6303 -1.6303 6.5534 6.5534 7.2631 7.2631 7.4767 7.4767 8.2801 8.2801 9.0379 9.0379 9.4967 9.4967 12.8052 12.8052 12.9099 12.9099 13.7053 13.7053 14.4610 14.4610 k = 0.1231-0.2005-0.3869 ( 2333 PWs) bands (ev): -23.5670 -23.5670 -6.5402 -6.5402 -5.6630 -5.6630 -5.1321 -5.1321 -2.7935 -2.7935 -1.6638 -1.6638 6.6145 6.6145 7.2658 7.2658 7.4815 7.4815 8.1996 8.1996 8.9688 8.9688 9.4661 9.4661 12.8252 12.8252 12.9455 12.9455 13.7922 13.7922 14.4497 14.4497 k = 0.1284-0.2092-0.4037 ( 2331 PWs) bands (ev): -23.5613 -23.5613 -6.5487 -6.5487 -5.6779 -5.6779 -5.1486 -5.1486 -2.7506 -2.7506 -1.6974 -1.6974 6.6759 6.6759 7.2677 7.2677 7.4764 7.4764 8.1314 8.1314 8.9003 8.9003 9.4366 9.4366 12.8440 12.8440 12.9818 12.9818 13.8792 13.8792 14.4102 14.4102 k = 0.1338-0.2179-0.4205 ( 2335 PWs) bands (ev): -23.5556 -23.5556 -6.5585 -6.5585 -5.6912 -5.6912 -5.1649 -5.1649 -2.7076 -2.7076 -1.7310 -1.7310 6.7374 6.7374 7.2689 7.2689 7.4587 7.4587 8.0782 8.0782 8.8328 8.8328 9.4083 9.4083 12.8613 12.8613 13.0186 13.0186 13.9658 13.9658 14.3705 14.3705 k = 0.1391-0.2267-0.4374 ( 2335 PWs) bands (ev): -23.5498 -23.5498 -6.5698 -6.5698 -5.7031 -5.7031 -5.1810 -5.1810 -2.6647 -2.6647 -1.7644 -1.7644 6.7988 6.7988 7.2692 7.2692 7.4269 7.4269 8.0417 8.0417 8.7664 8.7664 9.3813 9.3813 12.8772 12.8772 13.0559 13.0559 14.0516 14.0516 14.3331 14.3331 k = 0.1445-0.2354-0.4542 ( 2333 PWs) bands (ev): -23.5440 -23.5440 -6.5822 -6.5822 -5.7134 -5.7134 -5.1969 -5.1969 -2.6221 -2.6221 -1.7976 -1.7976 6.8597 6.8597 7.2689 7.2689 7.3818 7.3818 8.0212 8.0212 8.7013 8.7013 9.3555 9.3555 12.8915 12.8915 13.0937 13.0937 14.1357 14.1357 14.2989 14.2989 k = 0.1498-0.2441-0.4710 ( 2329 PWs) bands (ev): -23.5382 -23.5382 -6.5958 -6.5958 -5.7222 -5.7222 -5.2125 -5.2125 -2.5799 -2.5799 -1.8304 -1.8304 6.9196 6.9196 7.2678 7.2678 7.3263 7.3263 8.0141 8.0141 8.6376 8.6376 9.3310 9.3310 12.9041 12.9041 13.1318 13.1318 14.2139 14.2139 14.2716 14.2716 k = 0.1552-0.2528-0.4878 ( 2329 PWs) bands (ev): -23.5323 -23.5323 -6.6105 -6.6105 -5.7297 -5.7297 -5.2279 -5.2279 -2.5381 -2.5381 -1.8626 -1.8626 6.9778 6.9778 7.2581 7.2581 7.2722 7.2722 8.0170 8.0170 8.5754 8.5754 9.3077 9.3077 12.9150 12.9150 13.1701 13.1701 14.2302 14.2302 14.3068 14.3068 k = 0.1605-0.2615-0.5046 ( 2333 PWs) bands (ev): -23.5265 -23.5265 -6.6260 -6.6260 -5.7359 -5.7359 -5.2429 -5.2429 -2.4970 -2.4970 -1.8943 -1.8943 7.0319 7.0319 7.1983 7.1983 7.2665 7.2665 8.0267 8.0267 8.5149 8.5149 9.2856 9.2856 12.9243 12.9243 13.2085 13.2085 14.2071 14.2071 14.3803 14.3803 k = 0.1659-0.2702-0.5215 ( 2325 PWs) bands (ev): -23.5207 -23.5207 -6.6421 -6.6421 -5.7410 -5.7410 -5.2575 -5.2575 -2.4566 -2.4566 -1.9251 -1.9251 7.0663 7.0663 7.1509 7.1509 7.2647 7.2647 8.0407 8.0407 8.4561 8.4561 9.2647 9.2647 12.9319 12.9319 13.2470 13.2470 14.1851 14.1851 14.4494 14.4494 k = 0.1712-0.2790-0.5383 ( 2323 PWs) bands (ev): -23.5149 -23.5149 -6.6587 -6.6587 -5.7454 -5.7454 -5.2717 -5.2717 -2.4172 -2.4172 -1.9551 -1.9551 7.0318 7.0318 7.1695 7.1695 7.2637 7.2637 8.0573 8.0573 8.3993 8.3993 9.2448 9.2448 12.9379 12.9379 13.2853 13.2853 14.1662 14.1662 14.5079 14.5079 k = 0.1766-0.2877-0.5551 ( 2317 PWs) bands (ev): -23.5092 -23.5092 -6.6756 -6.6756 -5.7491 -5.7491 -5.2853 -5.2853 -2.3789 -2.3789 -1.9841 -1.9841 6.9686 6.9686 7.2131 7.2131 7.2658 7.2658 8.0751 8.0751 8.3444 8.3444 9.2259 9.2259 12.9425 12.9425 13.3232 13.3232 14.1507 14.1507 14.5519 14.5519 k = 0.1819-0.2964-0.5719 ( 2321 PWs) bands (ev): -23.5036 -23.5036 -6.6926 -6.6926 -5.7525 -5.7525 -5.2982 -5.2982 -2.3417 -2.3417 -2.0120 -2.0120 6.9030 6.9030 7.2422 7.2422 7.2850 7.2850 8.0932 8.0932 8.2918 8.2918 9.2079 9.2079 12.9457 12.9457 13.3606 13.3606 14.1387 14.1387 14.5816 14.5816 k = 0.1873-0.3051-0.5887 ( 2323 PWs) bands (ev): -23.4981 -23.4981 -6.7095 -6.7095 -5.7557 -5.7557 -5.3104 -5.3104 -2.3060 -2.3060 -2.0386 -2.0386 6.8388 6.8388 7.2477 7.2477 7.3267 7.3267 8.1108 8.1108 8.2416 8.2416 9.1906 9.1906 12.9476 12.9476 13.3973 13.3973 14.1307 14.1307 14.6013 14.6013 k = 0.1926-0.3138-0.6056 ( 2323 PWs) bands (ev): -23.4926 -23.4926 -6.7261 -6.7261 -5.7592 -5.7592 -5.3217 -5.3217 -2.2720 -2.2720 -2.0638 -2.0638 6.7773 6.7773 7.2482 7.2482 7.3716 7.3716 8.1263 8.1263 8.1951 8.1951 9.1740 9.1740 12.9485 12.9485 13.4329 13.4329 14.1266 14.1266 14.6141 14.6141 k = 0.1980-0.3225-0.6224 ( 2321 PWs) bands (ev): -23.4873 -23.4873 -6.7423 -6.7423 -5.7631 -5.7631 -5.3319 -5.3319 -2.2399 -2.2399 -2.0872 -2.0872 6.7191 6.7191 7.2480 7.2480 7.4147 7.4147 8.1285 8.1285 8.1634 8.1634 9.1580 9.1580 12.9484 12.9484 13.4671 13.4671 14.1268 14.1268 14.6218 14.6218 k = 0.2033-0.3313-0.6392 ( 2321 PWs) bands (ev): -23.4822 -23.4822 -6.7578 -6.7578 -5.7675 -5.7675 -5.3411 -5.3411 -2.2104 -2.2104 -2.1083 -2.1083 6.6647 6.6647 7.2481 7.2481 7.4548 7.4548 8.0951 8.0951 8.1686 8.1686 9.1425 9.1425 12.9474 12.9474 13.4997 13.4997 14.1315 14.1315 14.6251 14.6251 k = 0.2087-0.3400-0.6560 ( 2329 PWs) bands (ev): -23.4772 -23.4772 -6.7726 -6.7726 -5.7729 -5.7729 -5.3491 -5.3491 -2.1859 -2.1859 -2.1248 -2.1248 6.6144 6.6144 7.2488 7.2488 7.4911 7.4911 8.0551 8.0551 8.1820 8.1820 9.1272 9.1272 12.9456 12.9456 13.5303 13.5303 14.1409 14.1409 14.6244 14.6244 k = 0.2140-0.3487-0.6729 ( 2333 PWs) bands (ev): -23.4723 -23.4723 -6.7866 -6.7866 -5.7792 -5.7792 -5.3559 -5.3559 -2.1748 -2.1748 -2.1280 -2.1280 6.5684 6.5684 7.2504 7.2504 7.5232 7.5232 8.0162 8.0162 8.1958 8.1958 9.1122 9.1122 12.9430 12.9430 13.5587 13.5587 14.1552 14.1552 14.6199 14.6199 k = 0.2194-0.3574-0.6897 ( 2337 PWs) bands (ev): -23.4676 -23.4676 -6.7996 -6.7996 -5.7865 -5.7865 -5.3614 -5.3614 -2.1824 -2.1824 -2.1132 -2.1132 6.5270 6.5270 7.2528 7.2528 7.5504 7.5504 7.9795 7.9795 8.2091 8.2091 9.0974 9.0974 12.9399 12.9399 13.5847 13.5847 14.1745 14.1745 14.6118 14.6118 k = 0.2247-0.3661-0.7065 ( 2343 PWs) bands (ev): -23.4632 -23.4632 -6.8116 -6.8116 -5.7950 -5.7950 -5.3657 -5.3657 -2.1956 -2.1956 -2.0931 -2.0931 6.4902 6.4902 7.2561 7.2561 7.5724 7.5724 7.9452 7.9452 8.2220 8.2220 9.0825 9.0825 12.9361 12.9361 13.6082 13.6082 14.1988 14.1988 14.6004 14.6004 k = 0.2301-0.3748-0.7233 ( 2341 PWs) bands (ev): -23.4588 -23.4588 -6.8225 -6.8225 -5.8046 -5.8046 -5.3687 -5.3687 -2.2090 -2.2090 -2.0732 -2.0732 6.4583 6.4583 7.2605 7.2605 7.5888 7.5888 7.9136 7.9136 8.2344 8.2344 9.0676 9.0676 12.9318 12.9318 13.6292 13.6292 14.2281 14.2281 14.5859 14.5859 k = 0.2354-0.3836-0.7401 ( 2345 PWs) bands (ev): -23.4548 -23.4548 -6.8322 -6.8322 -5.8153 -5.8153 -5.3708 -5.3708 -2.2212 -2.2212 -2.0551 -2.0551 6.4313 6.4313 7.2659 7.2659 7.5993 7.5993 7.8847 7.8847 8.2464 8.2464 9.0525 9.0525 12.9271 12.9271 13.6479 13.6479 14.2622 14.2622 14.5684 14.5684 k = 0.2408-0.3923-0.7570 ( 2349 PWs) bands (ev): -23.4509 -23.4509 -6.8407 -6.8407 -5.8270 -5.8270 -5.3718 -5.3718 -2.2319 -2.2319 -2.0390 -2.0390 6.4094 6.4094 7.2723 7.2723 7.6038 7.6038 7.8587 7.8587 8.2580 8.2580 9.0372 9.0372 12.9218 12.9218 13.6645 13.6645 14.3007 14.3007 14.5483 14.5483 k = 0.2461-0.4010-0.7738 ( 2351 PWs) bands (ev): -23.4472 -23.4472 -6.8480 -6.8480 -5.8395 -5.8395 -5.3720 -5.3720 -2.2408 -2.2408 -2.0251 -2.0251 6.3924 6.3924 7.2795 7.2795 7.6023 7.6023 7.8358 7.8358 8.2690 8.2690 9.0216 9.0216 12.9162 12.9162 13.6793 13.6793 14.3433 14.3433 14.5256 14.5256 k = 0.2515-0.4097-0.7906 ( 2353 PWs) bands (ev): -23.4438 -23.4438 -6.8541 -6.8541 -5.8527 -5.8527 -5.3715 -5.3715 -2.2479 -2.2479 -2.0136 -2.0136 6.3806 6.3806 7.2874 7.2874 7.5949 7.5949 7.8161 7.8161 8.2792 8.2792 9.0056 9.0056 12.9102 12.9102 13.6927 13.6927 14.3895 14.3895 14.5006 14.5006 k = 0.2568-0.4184-0.8074 ( 2353 PWs) bands (ev): -23.4405 -23.4405 -6.8590 -6.8590 -5.8664 -5.8664 -5.3705 -5.3705 -2.2531 -2.2531 -2.0046 -2.0046 6.3738 6.3738 7.2958 7.2958 7.5818 7.5818 7.8001 7.8001 8.2884 8.2884 8.9891 8.9891 12.9040 12.9040 13.7050 13.7050 14.4374 14.4374 14.4752 14.4752 k = 0.2622-0.4272-0.8242 ( 2349 PWs) bands (ev): -23.4375 -23.4375 -6.8628 -6.8628 -5.8805 -5.8805 -5.3690 -5.3690 -2.2565 -2.2565 -1.9980 -1.9980 6.3721 6.3721 7.3045 7.3045 7.5635 7.5635 7.7877 7.7877 8.2963 8.2963 8.9721 8.9721 12.8975 12.8975 13.7166 13.7166 14.4400 14.4400 14.4959 14.4959 k = 0.2675-0.4359-0.8411 ( 2357 PWs) bands (ev): -23.4348 -23.4348 -6.8654 -6.8654 -5.8947 -5.8947 -5.3672 -5.3672 -2.2578 -2.2578 -1.9939 -1.9939 6.3753 6.3753 7.3131 7.3131 7.5402 7.5402 7.7795 7.7795 8.3026 8.3026 8.9546 8.9546 12.8908 12.8908 13.7277 13.7277 14.4091 14.4091 14.5509 14.5509 k = 0.2729-0.4446-0.8579 ( 2355 PWs) bands (ev): -23.4323 -23.4323 -6.8671 -6.8671 -5.9089 -5.9089 -5.3653 -5.3653 -2.2573 -2.2573 -1.9923 -1.9923 6.3835 6.3835 7.3214 7.3214 7.5123 7.5123 7.7757 7.7757 8.3070 8.3070 8.9365 8.9365 12.8838 12.8838 13.7386 13.7386 14.3751 14.3751 14.6094 14.6094 k = 0.2782-0.4533-0.8747 ( 2353 PWs) bands (ev): -23.4300 -23.4300 -6.8677 -6.8677 -5.9229 -5.9229 -5.3634 -5.3634 -2.2548 -2.2548 -1.9931 -1.9931 6.3963 6.3963 7.3289 7.3289 7.4805 7.4805 7.7766 7.7766 8.3093 8.3093 8.9177 8.9177 12.8766 12.8766 13.7495 13.7495 14.3390 14.3390 14.6706 14.6706 k = 0.2836-0.4620-0.8915 ( 2351 PWs) bands (ev): -23.4279 -23.4279 -6.8676 -6.8676 -5.9364 -5.9364 -5.3614 -5.3614 -2.2505 -2.2505 -1.9963 -1.9963 6.4138 6.4138 7.3352 7.3352 7.4453 7.4453 7.7824 7.7824 8.3092 8.3092 8.8983 8.8983 12.8690 12.8690 13.7607 13.7607 14.3010 14.3010 14.7341 14.7341 k = 0.2889-0.4707-0.9083 ( 2351 PWs) bands (ev): -23.4261 -23.4261 -6.8667 -6.8667 -5.9494 -5.9494 -5.3595 -5.3595 -2.2442 -2.2442 -2.0018 -2.0018 6.4356 6.4356 7.3395 7.3395 7.4077 7.4077 7.7932 7.7932 8.3066 8.3066 8.8782 8.8782 12.8608 12.8608 13.7723 13.7723 14.2615 14.2615 14.7997 14.7997 k = 0.2943-0.4795-0.9252 ( 2349 PWs) bands (ev): -23.4245 -23.4245 -6.8653 -6.8653 -5.9614 -5.9614 -5.3578 -5.3578 -2.2362 -2.2362 -2.0096 -2.0096 6.4615 6.4615 7.3375 7.3375 7.3726 7.3726 7.8091 7.8091 8.3015 8.3015 8.8575 8.8575 12.8517 12.8517 13.7845 13.7845 14.2209 14.2209 14.8673 14.8673 k = 0.2996-0.4882-0.9420 ( 2351 PWs) bands (ev): -23.4232 -23.4232 -6.8634 -6.8634 -5.9725 -5.9725 -5.3563 -5.3563 -2.2264 -2.2264 -2.0196 -2.0196 6.4911 6.4911 7.3108 7.3108 7.3588 7.3588 7.8299 7.8299 8.2938 8.2938 8.8361 8.8361 12.8412 12.8412 13.7974 13.7974 14.1797 14.1797 14.9368 14.9368 k = 0.3050-0.4969-0.9588 ( 2351 PWs) bands (ev): -23.4220 -23.4220 -6.8613 -6.8613 -5.9824 -5.9824 -5.3549 -5.3549 -2.2148 -2.2148 -2.0317 -2.0317 6.5239 6.5239 7.2681 7.2681 7.3583 7.3583 7.8555 7.8555 8.2836 8.2836 8.8141 8.8141 12.8287 12.8287 13.8111 13.8111 14.1386 14.1386 15.0079 15.0079 k = 0.3103-0.5056-0.9756 ( 2353 PWs) bands (ev): -23.4211 -23.4211 -6.8590 -6.8590 -5.9909 -5.9909 -5.3538 -5.3538 -2.2017 -2.2017 -2.0457 -2.0457 6.5590 6.5590 7.2224 7.2224 7.3592 7.3592 7.8855 7.8855 8.2711 8.2711 8.7915 8.7915 12.8134 12.8134 13.8256 13.8256 14.0987 14.0987 15.0807 15.0807 k = 0.3157-0.5143-0.9925 ( 2353 PWs) bands (ev): -23.4204 -23.4204 -6.8569 -6.8569 -5.9978 -5.9978 -5.3529 -5.3529 -2.1870 -2.1870 -2.0616 -2.0616 6.5955 6.5955 7.1763 7.1763 7.3602 7.3602 7.9196 7.9196 8.2565 8.2565 8.7683 8.7683 12.7945 12.7945 13.8407 13.8407 14.0609 14.0609 15.1549 15.1549 k = 0.3210-0.5230-1.0093 ( 2353 PWs) bands (ev): -23.4199 -23.4199 -6.8550 -6.8550 -6.0030 -6.0030 -5.3522 -5.3522 -2.1710 -2.1710 -2.0790 -2.0790 6.6315 6.6315 7.1321 7.1321 7.3609 7.3609 7.9576 7.9576 8.2400 8.2400 8.7447 8.7447 12.7709 12.7709 13.8565 13.8565 14.0268 14.0268 15.2305 15.2305 k = 0.3264-0.5318-1.0261 ( 2349 PWs) bands (ev): -23.4195 -23.4195 -6.8535 -6.8535 -6.0063 -6.0063 -5.3517 -5.3517 -2.1542 -2.1542 -2.0974 -2.0974 6.6641 6.6641 7.0926 7.0926 7.3615 7.3615 7.9989 7.9989 8.2220 8.2220 8.7206 8.7206 12.7416 12.7416 13.8722 13.8722 13.9979 13.9979 15.3074 15.3074 k = 0.3317-0.5405-1.0429 ( 2353 PWs) bands (ev): -23.4194 -23.4194 -6.8525 -6.8525 -6.0076 -6.0076 -5.3514 -5.3514 -2.1400 -2.1400 -2.1135 -2.1135 6.6883 6.6883 7.0627 7.0627 7.3621 7.3621 8.0433 8.0433 8.2030 8.2030 8.6961 8.6961 12.7056 12.7056 13.8866 13.8866 13.9767 13.9767 15.3854 15.3854 k = 0.3371-0.5492-1.0597 ( 2355 PWs) bands (ev): -23.4195 -23.4195 -6.8523 -6.8523 -6.0069 -6.0069 -5.3511 -5.3511 -2.1475 -2.1475 -2.1080 -2.1080 6.6978 6.6978 7.0486 7.0486 7.3628 7.3628 8.0903 8.0903 8.1836 8.1836 8.6715 8.6715 12.6623 12.6623 13.8970 13.8970 13.9668 13.9668 15.4644 15.4644 k = 0.3424-0.5579-1.0766 ( 2357 PWs) bands (ev): -23.4197 -23.4197 -6.8529 -6.8529 -6.0042 -6.0042 -5.3509 -5.3509 -2.1690 -2.1690 -2.0887 -2.0887 6.6879 6.6879 7.0547 7.0547 7.3636 7.3636 8.1377 8.1377 8.1663 8.1663 8.6468 8.6468 12.6112 12.6112 13.9013 13.9013 13.9708 13.9708 15.5443 15.5443 k = 0.6576-0.4167-0.9907 ( 2357 PWs) bands (ev): -23.4197 -23.4197 -6.8529 -6.8529 -6.0042 -6.0042 -5.3509 -5.3509 -2.1690 -2.1690 -2.0887 -2.0887 6.6879 6.6879 7.0547 7.0547 7.3636 7.3636 8.1377 8.1377 8.1663 8.1663 8.6468 8.6468 12.6112 12.6112 13.9013 13.9013 13.9708 13.9708 15.5443 15.5443 k = 0.6523-0.3981-0.9907 ( 2355 PWs) bands (ev): -23.4200 -23.4200 -6.8543 -6.8543 -5.9995 -5.9995 -5.3506 -5.3506 -2.1926 -2.1926 -2.0672 -2.0672 6.6602 6.6602 7.0789 7.0789 7.3645 7.3645 8.1425 8.1425 8.1936 8.1936 8.6227 8.6227 12.5532 12.5532 13.9030 13.9030 13.9851 13.9851 15.6234 15.6234 k = 0.6471-0.3795-0.9907 ( 2359 PWs) bands (ev): -23.4205 -23.4205 -6.8566 -6.8566 -5.9928 -5.9928 -5.3503 -5.3503 -2.2176 -2.2176 -2.0446 -2.0446 6.6198 6.6198 7.1156 7.1156 7.3658 7.3658 8.1262 8.1262 8.2449 8.2449 8.5992 8.5992 12.4879 12.4879 13.9070 13.9070 14.0048 14.0048 15.7029 15.7029 k = 0.6418-0.3609-0.9907 ( 2349 PWs) bands (ev): -23.4211 -23.4211 -6.8597 -6.8597 -5.9843 -5.9843 -5.3499 -5.3499 -2.2435 -2.2435 -2.0211 -2.0211 6.5714 6.5714 7.1591 7.1591 7.3673 7.3673 8.1116 8.1116 8.2975 8.2975 8.5769 8.5769 12.4157 12.4157 13.9154 13.9154 14.0274 14.0274 15.7827 15.7827 k = 0.6366-0.3423-0.9907 ( 2345 PWs) bands (ev): -23.4218 -23.4218 -6.8638 -6.8638 -5.9742 -5.9742 -5.3492 -5.3492 -2.2701 -2.2701 -1.9968 -1.9968 6.5184 6.5184 7.2054 7.2054 7.3692 7.3692 8.1004 8.1004 8.3493 8.3493 8.5574 8.5574 12.3372 12.3372 13.9285 13.9285 14.0519 14.0519 15.8625 15.8625 k = 0.6313-0.3237-0.9907 ( 2347 PWs) bands (ev): -23.4227 -23.4227 -6.8687 -6.8687 -5.9625 -5.9625 -5.3481 -5.3481 -2.2973 -2.2973 -1.9721 -1.9721 6.4625 6.4625 7.2511 7.2511 7.3717 7.3717 8.0942 8.0942 8.3956 8.3956 8.5449 8.5449 12.2533 12.2533 13.9462 13.9462 14.0778 14.0778 15.9396 15.9396 k = 0.6261-0.3051-0.9907 ( 2353 PWs) bands (ev): -23.4236 -23.4236 -6.8743 -6.8743 -5.9495 -5.9495 -5.3467 -5.3467 -2.3250 -2.3250 -1.9469 -1.9469 6.4052 6.4052 7.2931 7.2931 7.3753 7.3753 8.0943 8.0943 8.4252 8.4252 8.5507 8.5507 12.1648 12.1648 13.9679 13.9679 14.1048 14.1048 15.9101 15.9101 k = 0.6208-0.2865-0.9907 ( 2349 PWs) bands (ev): -23.4246 -23.4246 -6.8806 -6.8806 -5.9354 -5.9354 -5.3448 -5.3448 -2.3530 -2.3530 -1.9214 -1.9214 6.3471 6.3471 7.3279 7.3279 7.3812 7.3812 8.1024 8.1024 8.4289 8.4289 8.5839 8.5839 12.0726 12.0726 13.9930 13.9930 14.1325 14.1325 15.8500 15.8500 k = 0.6155-0.2679-0.9907 ( 2347 PWs) bands (ev): -23.4256 -23.4256 -6.8875 -6.8875 -5.9206 -5.9206 -5.3422 -5.3422 -2.3811 -2.3811 -1.8958 -1.8958 6.2889 6.2889 7.3511 7.3511 7.3920 7.3920 8.1198 8.1198 8.4167 8.4167 8.6342 8.6342 11.9774 11.9774 14.0210 14.0210 14.1610 14.1610 15.7897 15.7897 k = 0.6103-0.2493-0.9907 ( 2353 PWs) bands (ev): -23.4268 -23.4268 -6.8948 -6.8948 -5.9052 -5.9052 -5.3390 -5.3390 -2.4092 -2.4092 -1.8702 -1.8702 6.2310 6.2310 7.3624 7.3624 7.4069 7.4069 8.1472 8.1472 8.3992 8.3992 8.6914 8.6914 11.8801 11.8801 14.0512 14.0512 14.1900 14.1900 15.7301 15.7301 k = 0.6050-0.2307-0.9907 ( 2347 PWs) bands (ev): -23.4279 -23.4279 -6.9025 -6.9025 -5.8895 -5.8895 -5.3350 -5.3350 -2.4373 -2.4373 -1.8447 -1.8447 6.1739 6.1739 7.3678 7.3678 7.4193 7.4193 8.1842 8.1842 8.3806 8.3806 8.7513 8.7513 11.7812 11.7812 14.0830 14.0830 14.2193 14.2193 15.6715 15.6715 k = 0.5998-0.2121-0.9907 ( 2343 PWs) bands (ev): -23.4291 -23.4291 -6.9105 -6.9105 -5.8739 -5.8739 -5.3301 -5.3301 -2.4651 -2.4651 -1.8194 -1.8194 6.1177 6.1177 7.3712 7.3712 7.4263 7.4263 8.2286 8.2286 8.3638 8.3638 8.8124 8.8124 11.6815 11.6815 14.1159 14.1159 14.2488 14.2488 15.6143 15.6143 k = 0.5945-0.1935-0.9907 ( 2343 PWs) bands (ev): -23.4303 -23.4303 -6.9187 -6.9187 -5.8585 -5.8585 -5.3244 -5.3244 -2.4925 -2.4925 -1.7945 -1.7945 6.0629 6.0629 7.3735 7.3735 7.4275 7.4275 8.2721 8.2721 8.3564 8.3564 8.8738 8.8738 11.5813 11.5813 14.1495 14.1495 14.2783 14.2783 15.5588 15.5588 k = 0.5893-0.1749-0.9907 ( 2341 PWs) bands (ev): -23.4316 -23.4316 -6.9269 -6.9269 -5.8435 -5.8435 -5.3177 -5.3177 -2.5194 -2.5194 -1.7701 -1.7701 6.0096 6.0096 7.3752 7.3752 7.4240 7.4240 8.2892 8.2892 8.3828 8.3828 8.9350 8.9350 11.4813 11.4813 14.1832 14.1832 14.3077 14.3077 15.5052 15.5052 k = 0.5840-0.1563-0.9907 ( 2342 PWs) bands (ev): -23.4328 -23.4328 -6.9351 -6.9351 -5.8293 -5.8293 -5.3102 -5.3102 -2.5457 -2.5457 -1.7463 -1.7463 5.9581 5.9581 7.3764 7.3764 7.4171 7.4171 8.2801 8.2801 8.4416 8.4416 8.9955 8.9955 11.3819 11.3819 14.2166 14.2166 14.3368 14.3368 15.4537 15.4537 k = 0.5788-0.1378-0.9907 ( 2336 PWs) bands (ev): -23.4340 -23.4340 -6.9432 -6.9432 -5.8159 -5.8159 -5.3017 -5.3017 -2.5713 -2.5713 -1.7232 -1.7232 5.9086 5.9086 7.3768 7.3768 7.4079 7.4079 8.2648 8.2648 8.5116 8.5116 9.0549 9.0549 11.2833 11.2833 14.2494 14.2494 14.3654 14.3654 15.4044 15.4044 k = 0.5735-0.1192-0.9907 ( 2336 PWs) bands (ev): -23.4352 -23.4352 -6.9512 -6.9512 -5.8036 -5.8036 -5.2924 -5.2924 -2.5960 -2.5960 -1.7010 -1.7010 5.8614 5.8614 7.3757 7.3757 7.3983 7.3983 8.2485 8.2485 8.5866 8.5866 9.1129 9.1129 11.1860 11.1860 14.2813 14.2813 14.3933 14.3933 15.3575 15.3575 k = 0.5683-0.1006-0.9907 ( 2338 PWs) bands (ev): -23.4363 -23.4363 -6.9588 -6.9588 -5.7923 -5.7923 -5.2825 -5.2825 -2.6197 -2.6197 -1.6798 -1.6798 5.8165 5.8165 7.3711 7.3711 7.3908 7.3908 8.2325 8.2325 8.6645 8.6645 9.1690 9.1690 11.0902 11.0902 14.3119 14.3119 14.4204 14.4204 15.3133 15.3133 k = 0.5630-0.0820-0.9907 ( 2334 PWs) bands (ev): -23.4374 -23.4374 -6.9661 -6.9661 -5.7821 -5.7821 -5.2720 -5.2720 -2.6422 -2.6422 -1.6597 -1.6597 5.7742 5.7742 7.3619 7.3619 7.3873 7.3873 8.2173 8.2173 8.7439 8.7439 9.2230 9.2230 10.9961 10.9961 14.3410 14.3410 14.4464 14.4464 15.2717 15.2717 k = 0.5578-0.0634-0.9907 ( 2334 PWs) bands (ev): -23.4385 -23.4385 -6.9731 -6.9731 -5.7730 -5.7730 -5.2611 -5.2611 -2.6636 -2.6636 -1.6407 -1.6407 5.7347 5.7347 7.3502 7.3502 7.3860 7.3860 8.2030 8.2030 8.8242 8.8242 9.2745 9.2745 10.9041 10.9041 14.3684 14.3684 14.4712 14.4712 15.2330 15.2330 k = 0.5525-0.0448-0.9907 ( 2334 PWs) bands (ev): -23.4395 -23.4395 -6.9796 -6.9796 -5.7651 -5.7651 -5.2501 -5.2501 -2.6835 -2.6835 -1.6231 -1.6231 5.6981 5.6981 7.3381 7.3381 7.3854 7.3854 8.1899 8.1899 8.9045 8.9045 9.3231 9.3231 10.8143 10.8143 14.3938 14.3938 14.4945 14.4945 15.1972 15.1972 k = 0.5473-0.0262-0.9907 ( 2332 PWs) bands (ev): -23.4404 -23.4404 -6.9856 -6.9856 -5.7582 -5.7582 -5.2393 -5.2393 -2.7020 -2.7020 -1.6068 -1.6068 5.6645 5.6645 7.3262 7.3262 7.3850 7.3850 8.1779 8.1779 8.9841 8.9841 9.3685 9.3685 10.7271 10.7271 14.4171 14.4171 14.5162 14.5162 15.1646 15.1646 k = 0.5420-0.0076-0.9907 ( 2328 PWs) bands (ev): -23.4412 -23.4412 -6.9911 -6.9911 -5.7523 -5.7523 -5.2287 -5.2287 -2.7188 -2.7188 -1.5920 -1.5920 5.6341 5.6341 7.3150 7.3150 7.3847 7.3847 8.1671 8.1671 9.0625 9.0625 9.4103 9.4103 10.6427 10.6427 14.4381 14.4381 14.5361 14.5361 15.1352 15.1352 k = 0.5368 0.0110-0.9907 ( 2332 PWs) bands (ev): -23.4420 -23.4420 -6.9961 -6.9961 -5.7473 -5.7473 -5.2188 -5.2188 -2.7340 -2.7340 -1.5787 -1.5787 5.6070 5.6070 7.3047 7.3047 7.3843 7.3843 8.1576 8.1576 9.1388 9.1388 9.4484 9.4484 10.5615 10.5615 14.4567 14.4567 14.5540 14.5540 15.1091 15.1091 k = 0.5315 0.0296-0.9907 ( 2336 PWs) bands (ev): -23.4427 -23.4427 -7.0004 -7.0004 -5.7432 -5.7432 -5.2097 -5.2097 -2.7474 -2.7474 -1.5670 -1.5670 5.5832 5.5832 7.2955 7.2955 7.3839 7.3839 8.1494 8.1494 9.2120 9.2120 9.4825 9.4825 10.4842 10.4842 14.4729 14.4729 14.5698 14.5698 15.0864 15.0864 k = 0.5263 0.0482-0.9907 ( 2340 PWs) bands (ev): -23.4432 -23.4432 -7.0041 -7.0041 -5.7398 -5.7398 -5.2015 -5.2015 -2.7589 -2.7589 -1.5571 -1.5571 5.5630 5.5630 7.2876 7.2876 7.3835 7.3835 8.1424 8.1424 9.2808 9.2808 9.5124 9.5124 10.4118 10.4118 14.4866 14.4866 14.5833 14.5833 15.0672 15.0672 k = 0.5210 0.0668-0.9907 ( 2342 PWs) bands (ev): -23.4437 -23.4437 -7.0072 -7.0072 -5.7372 -5.7372 -5.1946 -5.1946 -2.7684 -2.7684 -1.5488 -1.5488 5.5464 5.5464 7.2810 7.2810 7.3831 7.3831 8.1367 8.1367 9.3434 9.3434 9.5381 9.5381 10.3457 10.3457 14.4977 14.4977 14.5945 14.5945 15.0515 15.0515 k = 0.5158 0.0854-0.9907 ( 2340 PWs) bands (ev): -23.4441 -23.4441 -7.0096 -7.0096 -5.7351 -5.7351 -5.1891 -5.1891 -2.7758 -2.7758 -1.5424 -1.5424 5.5333 5.5333 7.2758 7.2758 7.3828 7.3828 8.1323 8.1323 9.3972 9.3972 9.5595 9.5595 10.2881 10.2881 14.5064 14.5064 14.6033 14.6033 15.0393 15.0393 k = 0.5105 0.1040-0.9907 ( 2338 PWs) bands (ev): -23.4444 -23.4444 -7.0113 -7.0113 -5.7337 -5.7337 -5.1850 -5.1850 -2.7812 -2.7812 -1.5377 -1.5377 5.5240 5.5240 7.2721 7.2721 7.3826 7.3826 8.1291 8.1291 9.4389 9.4389 9.5765 9.5765 10.2422 10.2422 14.5125 14.5125 14.6096 14.6096 15.0306 15.0306 k = 0.5053 0.1226-0.9907 ( 2340 PWs) bands (ev): -23.4445 -23.4445 -7.0124 -7.0124 -5.7329 -5.7329 -5.1825 -5.1825 -2.7845 -2.7845 -1.5349 -1.5349 5.5184 5.5184 7.2698 7.2698 7.3824 7.3824 8.1272 8.1272 9.4653 9.4653 9.5881 9.5881 10.2121 10.2121 14.5162 14.5162 14.6135 14.6135 15.0253 15.0253 k = 0.5000 0.1412-0.9907 ( 2334 PWs) bands (ev): -23.4446 -23.4446 -7.0127 -7.0127 -5.7326 -5.7326 -5.1817 -5.1817 -2.7855 -2.7855 -1.5340 -1.5340 5.5165 5.5165 7.2690 7.2690 7.3824 7.3824 8.1266 8.1266 9.4743 9.4743 9.5923 9.5923 10.2015 10.2015 14.5174 14.5174 14.6147 14.6147 15.0236 15.0236 k = 0.5000 0.1412-0.9907 ( 2334 PWs) bands (ev): -23.4446 -23.4446 -7.0127 -7.0127 -5.7326 -5.7326 -5.1817 -5.1817 -2.7855 -2.7855 -1.5340 -1.5340 5.5165 5.5165 7.2690 7.2690 7.3824 7.3824 8.1266 8.1266 9.4743 9.4743 9.5923 9.5923 10.2015 10.2015 14.5174 14.5174 14.6147 14.6147 15.0236 15.0236 k = 0.5158 0.1457-0.9821 ( 2338 PWs) bands (ev): -23.4446 -23.4446 -7.0127 -7.0127 -5.7327 -5.7327 -5.1818 -5.1818 -2.7848 -2.7848 -1.5349 -1.5349 5.5181 5.5181 7.2699 7.2699 7.3830 7.3830 8.1250 8.1250 9.4729 9.4729 9.5886 9.5886 10.2060 10.2060 14.5172 14.5172 14.6146 14.6146 15.0185 15.0185 k = 0.5315 0.1501-0.9735 ( 2341 PWs) bands (ev): -23.4446 -23.4446 -7.0127 -7.0127 -5.7329 -5.7329 -5.1819 -5.1819 -2.7824 -2.7824 -1.5374 -1.5374 5.5230 5.5230 7.2724 7.2724 7.3849 7.3849 8.1201 8.1201 9.4685 9.4685 9.5778 9.5778 10.2192 10.2192 14.5167 14.5167 14.6143 14.6143 15.0035 15.0035 k = 0.5473 0.1546-0.9649 ( 2343 PWs) bands (ev): -23.4447 -23.4447 -7.0126 -7.0126 -5.7332 -5.7332 -5.1822 -5.1822 -2.7785 -2.7785 -1.5416 -1.5416 5.5311 5.5311 7.2766 7.2766 7.3881 7.3881 8.1120 8.1120 9.4608 9.4608 9.5613 9.5613 10.2402 10.2402 14.5158 14.5158 14.6137 14.6137 14.9787 14.9787 k = 0.5630 0.1590-0.9564 ( 2339 PWs) bands (ev): -23.4448 -23.4448 -7.0125 -7.0125 -5.7336 -5.7336 -5.1826 -5.1826 -2.7731 -2.7731 -1.5475 -1.5475 5.5424 5.5424 7.2822 7.2822 7.3926 7.3926 8.1009 8.1009 9.4494 9.4494 9.5406 9.5406 10.2679 10.2679 14.5145 14.5145 14.6130 14.6130 14.9450 14.9450 k = 0.5788 0.1635-0.9478 ( 2339 PWs) bands (ev): -23.4449 -23.4449 -7.0124 -7.0124 -5.7341 -5.7341 -5.1830 -5.1830 -2.7661 -2.7661 -1.5550 -1.5550 5.5568 5.5568 7.2893 7.2893 7.3983 7.3983 8.0869 8.0869 9.4332 9.4332 9.5180 9.5180 10.3012 10.3012 14.5129 14.5129 14.6120 14.6120 14.9030 14.9030 k = 0.5945 0.1679-0.9392 ( 2339 PWs) bands (ev): -23.4451 -23.4451 -7.0122 -7.0122 -5.7348 -5.7348 -5.1836 -5.1836 -2.7577 -2.7577 -1.5641 -1.5641 5.5743 5.5743 7.2976 7.2976 7.4052 7.4052 8.0703 8.0703 9.4115 9.4115 9.4955 9.4955 10.3390 10.3390 14.5108 14.5108 14.6107 14.6107 14.8536 14.8536 k = 0.6103 0.1724-0.9306 ( 2341 PWs) bands (ev): -23.4453 -23.4453 -7.0120 -7.0120 -5.7355 -5.7355 -5.1842 -5.1842 -2.7478 -2.7478 -1.5747 -1.5747 5.5947 5.5947 7.3068 7.3068 7.4133 7.4133 8.0513 8.0513 9.3840 9.3840 9.4741 9.4741 10.3804 10.3804 14.5083 14.5083 14.6092 14.6092 14.7978 14.7978 k = 0.6261 0.1768-0.9220 ( 2340 PWs) bands (ev): -23.4455 -23.4455 -7.0117 -7.0117 -5.7363 -5.7363 -5.1849 -5.1849 -2.7365 -2.7365 -1.5868 -1.5868 5.6181 5.6181 7.3167 7.3167 7.4225 7.4225 8.0304 8.0304 9.3515 9.3515 9.4540 9.4540 10.4250 10.4250 14.5053 14.5053 14.6072 14.6072 14.7368 14.7368 k = 0.6418 0.1813-0.9134 ( 2339 PWs) bands (ev): -23.4457 -23.4457 -7.0113 -7.0113 -5.7372 -5.7372 -5.1857 -5.1857 -2.7239 -2.7239 -1.6003 -1.6003 5.6443 5.6443 7.3268 7.3268 7.4329 7.4329 8.0080 8.0080 9.3153 9.3153 9.4344 9.4344 10.4723 10.4723 14.5014 14.5014 14.6038 14.6038 14.6726 14.6726 k = 0.6576 0.1857-0.9048 ( 2342 PWs) bands (ev): -23.4460 -23.4460 -7.0109 -7.0109 -5.7382 -5.7382 -5.1866 -5.1866 -2.7099 -2.7099 -1.6152 -1.6152 5.6732 5.6732 7.3368 7.3368 7.4442 7.4442 7.9847 7.9847 9.2765 9.2765 9.4146 9.4146 10.5217 10.5217 14.4956 14.4956 14.5875 14.5875 14.6187 14.6187 k = 0.6576 0.1857-0.9048 ( 2342 PWs) bands (ev): -23.4460 -23.4460 -7.0109 -7.0109 -5.7382 -5.7382 -5.1866 -5.1866 -2.7099 -2.7099 -1.6152 -1.6152 5.6732 5.6732 7.3368 7.3368 7.4442 7.4442 7.9847 7.9847 9.2765 9.2765 9.4146 9.4146 10.5217 10.5217 14.4956 14.4956 14.5875 14.5875 14.6187 14.6187 k = 0.6545 0.1848-0.8854 ( 2336 PWs) bands (ev): -23.4472 -23.4472 -7.0046 -7.0046 -5.7390 -5.7390 -5.1882 -5.1882 -2.7078 -2.7078 -1.6164 -1.6164 5.6836 5.6836 7.3527 7.3527 7.4421 7.4421 7.9485 7.9485 9.3101 9.3101 9.4247 9.4247 10.4964 10.4964 14.4836 14.4836 14.5867 14.5867 14.6381 14.6381 k = 0.6514 0.1840-0.8660 ( 2336 PWs) bands (ev): -23.4487 -23.4487 -6.9968 -6.9968 -5.7401 -5.7401 -5.1903 -5.1903 -2.7037 -2.7037 -1.6196 -1.6196 5.6978 5.6978 7.3695 7.3695 7.4411 7.4411 7.9112 7.9112 9.3401 9.3401 9.4352 9.4352 10.4747 10.4747 14.4676 14.4676 14.5737 14.5737 14.6677 14.6677 k = 0.6483 0.1831-0.8466 ( 2340 PWs) bands (ev): -23.4505 -23.4505 -6.9872 -6.9872 -5.7414 -5.7414 -5.1926 -5.1926 -2.6978 -2.6978 -1.6245 -1.6245 5.7155 5.7155 7.3866 7.3866 7.4412 7.4412 7.8735 7.8735 9.3648 9.3648 9.4475 9.4475 10.4571 10.4571 14.4485 14.4485 14.5568 14.5568 14.6987 14.6987 k = 0.6452 0.1822-0.8271 ( 2344 PWs) bands (ev): -23.4526 -23.4526 -6.9761 -6.9761 -5.7430 -5.7430 -5.1952 -5.1952 -2.6901 -2.6901 -1.6313 -1.6313 5.7367 5.7367 7.4034 7.4034 7.4424 7.4424 7.8363 7.8363 9.3825 9.3825 9.4633 9.4633 10.4438 10.4438 14.4265 14.4265 14.5372 14.5372 14.7291 14.7291 k = 0.6421 0.1813-0.8077 ( 2342 PWs) bands (ev): -23.4551 -23.4551 -6.9634 -6.9634 -5.7449 -5.7449 -5.1980 -5.1980 -2.6808 -2.6808 -1.6396 -1.6396 5.7609 5.7609 7.4184 7.4184 7.4447 7.4447 7.8009 7.8009 9.3930 9.3930 9.4825 9.4825 10.4354 10.4354 14.4019 14.4019 14.5153 14.5153 14.7585 14.7585 k = 0.6390 0.1805-0.7883 ( 2342 PWs) bands (ev): -23.4579 -23.4579 -6.9492 -6.9492 -5.7471 -5.7471 -5.2007 -5.2007 -2.6700 -2.6700 -1.6495 -1.6495 5.7881 5.7881 7.4300 7.4300 7.4483 7.4483 7.7693 7.7693 9.3978 9.3978 9.5032 9.5032 10.4323 10.4323 14.3748 14.3748 14.4913 14.4913 14.7864 14.7864 k = 0.6359 0.1796-0.7689 ( 2341 PWs) bands (ev): -23.4609 -23.4609 -6.9337 -6.9337 -5.7497 -5.7497 -5.2035 -5.2035 -2.6578 -2.6578 -1.6608 -1.6608 5.8180 5.8180 7.4364 7.4364 7.4523 7.4523 7.7440 7.7440 9.3987 9.3987 9.5236 9.5236 10.4347 10.4347 14.3455 14.3455 14.4653 14.4653 14.8126 14.8126 k = 0.6328 0.1787-0.7494 ( 2346 PWs) bands (ev): -23.4643 -23.4643 -6.9169 -6.9169 -5.7526 -5.7526 -5.2060 -5.2060 -2.6443 -2.6443 -1.6734 -1.6734 5.8502 5.8502 7.4358 7.4358 7.4554 7.4554 7.7281 7.7281 9.3970 9.3970 9.5423 9.5423 10.4428 10.4428 14.3140 14.3140 14.4374 14.4374 14.8369 14.8369 k = 0.6298 0.1779-0.7300 ( 2348 PWs) bands (ev): -23.4679 -23.4679 -6.8989 -6.8989 -5.7557 -5.7557 -5.2082 -5.2082 -2.6297 -2.6297 -1.6872 -1.6872 5.8846 5.8846 7.4251 7.4251 7.4590 7.4590 7.7238 7.7238 9.3933 9.3933 9.5586 9.5586 10.4570 10.4570 14.2807 14.2807 14.4076 14.4076 14.8588 14.8588 k = 0.6267 0.1770-0.7106 ( 2352 PWs) bands (ev): -23.4718 -23.4718 -6.8799 -6.8799 -5.7591 -5.7591 -5.2101 -5.2101 -2.6141 -2.6141 -1.7020 -1.7020 5.9209 5.9209 7.4038 7.4038 7.4637 7.4637 7.7308 7.7308 9.3881 9.3881 9.5723 9.5723 10.4771 10.4771 14.2457 14.2457 14.3760 14.3760 14.8783 14.8783 k = 0.6236 0.1761-0.6912 ( 2350 PWs) bands (ev): -23.4759 -23.4759 -6.8599 -6.8599 -5.7627 -5.7627 -5.2114 -5.2114 -2.5976 -2.5976 -1.7177 -1.7177 5.9589 5.9589 7.3744 7.3744 7.4690 7.4690 7.7470 7.7470 9.3818 9.3818 9.5833 9.5833 10.5031 10.5031 14.2093 14.2093 14.3426 14.3426 14.8950 14.8950 k = 0.6205 0.1752-0.6717 ( 2341 PWs) bands (ev): -23.4802 -23.4802 -6.8392 -6.8392 -5.7665 -5.7665 -5.2122 -5.2122 -2.5805 -2.5805 -1.7342 -1.7342 5.9981 5.9981 7.3398 7.3398 7.4749 7.4749 7.7700 7.7700 9.3746 9.3746 9.5916 9.5916 10.5347 10.5347 14.1717 14.1717 14.3075 14.3075 14.9087 14.9087 k = 0.6174 0.1744-0.6523 ( 2341 PWs) bands (ev): -23.4848 -23.4848 -6.8179 -6.8179 -5.7702 -5.7702 -5.2123 -5.2123 -2.5629 -2.5629 -1.7514 -1.7514 6.0384 6.0384 7.3022 7.3022 7.4809 7.4809 7.7979 7.7979 9.3667 9.3667 9.5974 9.5974 10.5716 10.5716 14.1333 14.1333 14.2705 14.2705 14.9191 14.9191 k = 0.6143 0.1735-0.6329 ( 2341 PWs) bands (ev): -23.4896 -23.4896 -6.7962 -6.7962 -5.7739 -5.7739 -5.2116 -5.2116 -2.5449 -2.5449 -1.7692 -1.7692 6.0794 6.0794 7.2632 7.2632 7.4870 7.4870 7.8292 7.8292 9.3585 9.3585 9.6009 9.6009 10.6135 10.6135 14.0944 14.0944 14.2317 14.2317 14.9261 14.9261 k = 0.6112 0.1726-0.6135 ( 2343 PWs) bands (ev): -23.4945 -23.4945 -6.7743 -6.7743 -5.7773 -5.7773 -5.2101 -5.2101 -2.5267 -2.5267 -1.7875 -1.7875 6.1209 6.1209 7.2239 7.2239 7.4931 7.4931 7.8632 7.8632 9.3501 9.3501 9.6023 9.6023 10.6598 10.6598 14.0551 14.0551 14.1912 14.1912 14.9295 14.9295 k = 0.6081 0.1717-0.5940 ( 2345 PWs) bands (ev): -23.4996 -23.4996 -6.7525 -6.7525 -5.7803 -5.7803 -5.2078 -5.2078 -2.5085 -2.5085 -1.8060 -1.8060 6.1626 6.1626 7.1850 7.1850 7.4989 7.4989 7.8994 7.8994 9.3418 9.3418 9.6018 9.6018 10.7101 10.7101 14.0158 14.0158 14.1489 14.1489 14.9292 14.9292 k = 0.6050 0.1709-0.5746 ( 2345 PWs) bands (ev): -23.5048 -23.5048 -6.7310 -6.7310 -5.7827 -5.7827 -5.2046 -5.2046 -2.4903 -2.4903 -1.8249 -1.8249 6.2041 6.2041 7.1470 7.1470 7.5044 7.5044 7.9374 7.9374 9.3338 9.3338 9.5993 9.5993 10.7642 10.7642 13.9767 13.9767 14.1049 14.1049 14.9252 14.9252 k = 0.6020 0.1700-0.5552 ( 2347 PWs) bands (ev): -23.5102 -23.5102 -6.7099 -6.7099 -5.7842 -5.7842 -5.2006 -5.2006 -2.4725 -2.4725 -1.8438 -1.8438 6.2451 6.2451 7.1105 7.1105 7.5094 7.5094 7.9772 7.9772 9.3264 9.3264 9.5950 9.5950 10.8215 10.8215 13.9382 13.9382 14.0593 14.0593 14.9176 14.9176 k = 0.5989 0.1691-0.5358 ( 2347 PWs) bands (ev): -23.5157 -23.5157 -6.6897 -6.6897 -5.7847 -5.7847 -5.1956 -5.1956 -2.4550 -2.4550 -1.8628 -1.8628 6.2855 6.2855 7.0756 7.0756 7.5137 7.5137 8.0186 8.0186 9.3197 9.3197 9.5889 9.5889 10.8817 10.8817 13.9003 13.9003 14.0122 14.0122 14.9065 14.9065 k = 0.5958 0.1683-0.5163 ( 2344 PWs) bands (ev): -23.5212 -23.5212 -6.6706 -6.6706 -5.7839 -5.7839 -5.1897 -5.1897 -2.4381 -2.4381 -1.8817 -1.8817 6.3250 6.3250 7.0428 7.0428 7.5173 7.5173 8.0617 8.0617 9.3140 9.3140 9.5807 9.5807 10.9445 10.9445 13.8634 13.8634 13.9637 13.9637 14.8921 14.8921 k = 0.5927 0.1674-0.4969 ( 2344 PWs) bands (ev): -23.5269 -23.5269 -6.6528 -6.6528 -5.7817 -5.7817 -5.1828 -5.1828 -2.4219 -2.4219 -1.9005 -1.9005 6.3633 6.3633 7.0121 7.0121 7.5200 7.5200 8.1064 8.1064 9.3095 9.3095 9.5703 9.5703 11.0096 11.0096 13.8272 13.8272 13.9142 13.9142 14.8749 14.8749 k = 0.5896 0.1665-0.4775 ( 2344 PWs) bands (ev): -23.5325 -23.5325 -6.6366 -6.6366 -5.7778 -5.7778 -5.1751 -5.1751 -2.4065 -2.4065 -1.9190 -1.9190 6.4003 6.4003 6.9838 6.9838 7.5218 7.5218 8.1528 8.1528 9.3064 9.3064 9.5576 9.5576 11.0766 11.0766 13.7917 13.7917 13.8642 13.8642 14.8552 14.8552 k = 0.5865 0.1656-0.4580 ( 2340 PWs) bands (ev): -23.5382 -23.5382 -6.6221 -6.6221 -5.7720 -5.7720 -5.1665 -5.1665 -2.3921 -2.3921 -1.9371 -1.9371 6.4358 6.4358 6.9579 6.9579 7.5225 7.5225 8.2011 8.2011 9.3048 9.3048 9.5422 9.5422 11.1452 11.1452 13.7558 13.7558 13.8149 13.8149 14.8334 14.8334 k = 0.5834 0.1648-0.4386 ( 2340 PWs) bands (ev): -23.5440 -23.5440 -6.6096 -6.6096 -5.7643 -5.7643 -5.1569 -5.1569 -2.3787 -2.3787 -1.9548 -1.9548 6.4699 6.4699 6.9346 6.9346 7.5221 7.5221 8.2512 8.2512 9.3049 9.3049 9.5241 9.5241 11.2153 11.2153 13.7173 13.7173 13.7688 13.7688 14.8101 14.8101 k = 0.5803 0.1639-0.4192 ( 2340 PWs) bands (ev): -23.5497 -23.5497 -6.5991 -6.5991 -5.7546 -5.7546 -5.1465 -5.1465 -2.3666 -2.3666 -1.9720 -1.9720 6.5024 6.5024 6.9138 6.9138 7.5204 7.5204 8.3032 8.3032 9.3067 9.3067 9.5028 9.5028 11.2864 11.2864 13.6731 13.6731 13.7291 13.7291 14.7856 14.7856 k = 0.5772 0.1630-0.3998 ( 2341 PWs) bands (ev): -23.5553 -23.5553 -6.5908 -6.5908 -5.7430 -5.7430 -5.1353 -5.1353 -2.3557 -2.3557 -1.9886 -1.9886 6.5334 6.5334 6.8955 6.8955 7.5176 7.5176 8.3570 8.3570 9.3102 9.3102 9.4784 9.4784 11.3584 11.3584 13.6232 13.6232 13.6960 13.6960 14.7602 14.7602 k = 0.5741 0.1621-0.3803 ( 2343 PWs) bands (ev): -23.5610 -23.5610 -6.5846 -6.5846 -5.7295 -5.7295 -5.1231 -5.1231 -2.3461 -2.3461 -2.0045 -2.0045 6.5632 6.5632 6.8796 6.8796 7.5136 7.5136 8.4128 8.4128 9.3155 9.3155 9.4508 9.4508 11.4309 11.4309 13.5697 13.5697 13.6671 13.6671 14.7341 14.7341 k = 0.5711 0.1613-0.3609 ( 2341 PWs) bands (ev): -23.5665 -23.5665 -6.5804 -6.5804 -5.7144 -5.7144 -5.1102 -5.1102 -2.3380 -2.3380 -2.0197 -2.0197 6.5919 6.5919 6.8659 6.8659 7.5085 7.5085 8.4702 8.4702 9.3223 9.3223 9.4200 9.4200 11.5036 11.5036 13.5146 13.5146 13.6406 13.6406 14.7072 14.7072 k = 0.5680 0.1604-0.3415 ( 2340 PWs) bands (ev): -23.5720 -23.5720 -6.5781 -6.5781 -5.6977 -5.6977 -5.0964 -5.0964 -2.3314 -2.3314 -2.0342 -2.0342 6.6198 6.6198 6.8542 6.8542 7.5022 7.5022 8.5293 8.5293 9.3294 9.3294 9.3873 9.3873 11.5764 11.5764 13.4587 13.4587 13.6154 13.6154 14.6794 14.6794 k = 0.5649 0.1595-0.3221 ( 2336 PWs) bands (ev): -23.5774 -23.5774 -6.5776 -6.5776 -5.6799 -5.6799 -5.0818 -5.0818 -2.3261 -2.3261 -2.0478 -2.0478 6.6473 6.6473 6.8444 6.8444 7.4949 7.4949 8.5896 8.5896 9.3279 9.3279 9.3616 9.3616 11.6489 11.6489 13.4026 13.4026 13.5909 13.5909 14.6499 14.6499 k = 0.5618 0.1587-0.3026 ( 2336 PWs) bands (ev): -23.5826 -23.5826 -6.5786 -6.5786 -5.6611 -5.6611 -5.0665 -5.0665 -2.3224 -2.3224 -2.0606 -2.0606 6.6747 6.6747 6.8361 6.8361 7.4866 7.4866 8.6509 8.6509 9.2973 9.2973 9.3636 9.3636 11.7209 11.7209 13.3467 13.3467 13.5666 13.5666 14.6178 14.6178 k = 0.5587 0.1578-0.2832 ( 2338 PWs) bands (ev): -23.5878 -23.5878 -6.5810 -6.5810 -5.6417 -5.6417 -5.0504 -5.0504 -2.3200 -2.3200 -2.0726 -2.0726 6.7024 6.7024 6.8291 6.8291 7.4776 7.4776 8.7124 8.7124 9.2553 9.2553 9.3759 9.3759 11.7921 11.7921 13.2913 13.2913 13.5422 13.5422 14.5822 14.5822 k = 0.5556 0.1569-0.2638 ( 2344 PWs) bands (ev): -23.5927 -23.5927 -6.5845 -6.5845 -5.6219 -5.6219 -5.0337 -5.0337 -2.3189 -2.3189 -2.0839 -2.0839 6.7307 6.7307 6.8231 6.8231 7.4678 7.4678 8.7730 8.7730 9.2104 9.2104 9.3911 9.3911 11.8622 11.8622 13.2367 13.2367 13.5173 13.5173 14.5417 14.5417 k = 0.5525 0.1560-0.2444 ( 2336 PWs) bands (ev): -23.5975 -23.5975 -6.5890 -6.5890 -5.6022 -5.6022 -5.0164 -5.0164 -2.3189 -2.3189 -2.0944 -2.0944 6.7600 6.7600 6.8181 6.8181 7.4575 7.4575 8.8305 8.8305 9.1657 9.1657 9.4078 9.4078 11.9310 11.9310 13.1831 13.1831 13.4920 13.4920 14.4956 14.4956 k = 0.5494 0.1552-0.2249 ( 2336 PWs) bands (ev): -23.6021 -23.6021 -6.5942 -6.5942 -5.5827 -5.5827 -4.9986 -4.9986 -2.3200 -2.3200 -2.1043 -2.1043 6.7898 6.7898 6.8144 6.8144 7.4469 7.4469 8.8792 8.8792 9.1271 9.1271 9.4257 9.4257 11.9982 11.9982 13.1309 13.1309 13.4664 13.4664 14.4435 14.4435 k = 0.5463 0.1543-0.2055 ( 2342 PWs) bands (ev): -23.6065 -23.6065 -6.6000 -6.6000 -5.5636 -5.5636 -4.9805 -4.9805 -2.3218 -2.3218 -2.1137 -2.1137 6.8066 6.8066 6.8259 6.8259 7.4359 7.4359 8.9055 8.9055 9.1080 9.1080 9.4445 9.4445 12.0636 12.0636 13.0803 13.0803 13.4406 13.4406 14.3855 14.3855 k = 0.5433 0.1534-0.1861 ( 2344 PWs) bands (ev): -23.6107 -23.6107 -6.6061 -6.6061 -5.5453 -5.5453 -4.9621 -4.9621 -2.3244 -2.3244 -2.1226 -2.1226 6.8041 6.8041 6.8584 6.8584 7.4249 7.4249 8.8941 8.8941 9.1240 9.1240 9.4638 9.4638 12.1270 12.1270 13.0315 13.0315 13.4149 13.4149 14.3224 14.3224 k = 0.5402 0.1525-0.1667 ( 2350 PWs) bands (ev): -23.6147 -23.6147 -6.6124 -6.6124 -5.5279 -5.5279 -4.9437 -4.9437 -2.3274 -2.3274 -2.1310 -2.1310 6.8008 6.8008 6.8939 6.8939 7.4139 7.4139 8.8534 8.8534 9.1664 9.1664 9.4835 9.4835 12.1881 12.1881 12.9848 12.9848 13.3898 13.3898 14.2552 14.2552 k = 0.5371 0.1517-0.1472 ( 2348 PWs) bands (ev): -23.6184 -23.6184 -6.6188 -6.6188 -5.5114 -5.5114 -4.9254 -4.9254 -2.3308 -2.3308 -2.1390 -2.1390 6.7975 6.7975 6.9313 6.9313 7.4031 7.4031 8.7995 8.7995 9.2192 9.2192 9.5032 9.5032 12.2467 12.2467 12.9403 12.9403 13.3655 13.3655 14.1851 14.1851 k = 0.5340 0.1508-0.1278 ( 2344 PWs) bands (ev): -23.6219 -23.6219 -6.6250 -6.6250 -5.4961 -5.4961 -4.9074 -4.9074 -2.3343 -2.3343 -2.1467 -2.1467 6.7944 6.7944 6.9703 6.9703 7.3926 7.3926 8.7399 8.7399 9.2748 9.2748 9.5227 9.5227 12.3026 12.3026 12.8984 12.8984 13.3426 13.3426 14.1133 14.1133 k = 0.5309 0.1499-0.1084 ( 2347 PWs) bands (ev): -23.6251 -23.6251 -6.6312 -6.6312 -5.4821 -5.4821 -4.8899 -4.8899 -2.3378 -2.3378 -2.1541 -2.1541 6.7913 6.7913 7.0107 7.0107 7.3826 7.3826 8.6777 8.6777 9.3302 9.3302 9.5416 9.5416 12.3557 12.3557 12.8592 12.8592 13.3213 13.3213 14.0411 14.0411 k = 0.5278 0.1491-0.0890 ( 2343 PWs) bands (ev): -23.6280 -23.6280 -6.6370 -6.6370 -5.4693 -5.4693 -4.8733 -4.8733 -2.3412 -2.3412 -2.1610 -2.1610 6.7885 6.7885 7.0523 7.0523 7.3732 7.3732 8.6147 8.6147 9.3836 9.3836 9.5599 9.5599 12.4058 12.4058 12.8229 12.8229 13.3021 13.3021 13.9695 13.9695 k = 0.5247 0.1482-0.0695 ( 2341 PWs) bands (ev): -23.6307 -23.6307 -6.6424 -6.6424 -5.4578 -5.4578 -4.8576 -4.8576 -2.3444 -2.3444 -2.1675 -2.1675 6.7858 6.7858 7.0944 7.0944 7.3645 7.3645 8.5522 8.5522 9.4338 9.4338 9.5771 9.5771 12.4525 12.4525 12.7898 12.7898 13.2852 13.2852 13.8999 13.8999 k = 0.5216 0.1473-0.0501 ( 2337 PWs) bands (ev): -23.6330 -23.6330 -6.6473 -6.6473 -5.4476 -5.4476 -4.8431 -4.8431 -2.3474 -2.3474 -2.1736 -2.1736 6.7833 6.7833 7.1365 7.1365 7.3565 7.3565 8.4913 8.4913 9.4801 9.4801 9.5931 9.5931 12.4958 12.4958 12.7601 12.7601 13.2708 13.2708 13.8332 13.8332 k = 0.5185 0.1464-0.0307 ( 2335 PWs) bands (ev): -23.6351 -23.6351 -6.6518 -6.6518 -5.4389 -5.4389 -4.8301 -4.8301 -2.3500 -2.3500 -2.1790 -2.1790 6.7811 6.7811 7.1777 7.1777 7.3495 7.3495 8.4331 8.4331 9.5217 9.5217 9.6078 9.6078 12.5352 12.5352 12.7339 12.7339 13.2589 13.2589 13.7708 13.7708 k = 0.5154 0.1456-0.0113 ( 2333 PWs) bands (ev): -23.6368 -23.6368 -6.6556 -6.6556 -5.4314 -5.4314 -4.8187 -4.8187 -2.3523 -2.3523 -2.1839 -2.1839 6.7792 6.7792 7.2170 7.2170 7.3434 7.3434 8.3792 8.3792 9.5576 9.5576 9.6209 9.6209 12.5703 12.5703 12.7114 12.7114 13.2496 13.2496 13.7140 13.7140 k = 0.5124 0.1447 0.0082 ( 2332 PWs) bands (ev): -23.6382 -23.6382 -6.6588 -6.6588 -5.4254 -5.4254 -4.8091 -4.8091 -2.3542 -2.3542 -2.1879 -2.1879 6.7776 6.7776 7.2528 7.2528 7.3384 7.3384 8.3310 8.3310 9.5872 9.5872 9.6326 9.6326 12.6006 12.6006 12.6928 12.6928 13.2427 13.2427 13.6641 13.6641 k = 0.5093 0.1438 0.0276 ( 2326 PWs) bands (ev): -23.6394 -23.6394 -6.6613 -6.6613 -5.4207 -5.4207 -4.8015 -4.8015 -2.3556 -2.3556 -2.1912 -2.1912 6.7763 6.7763 7.2836 7.2836 7.3346 7.3346 8.2904 8.2904 9.6097 9.6097 9.6430 9.6430 12.6253 12.6253 12.6782 12.6782 13.2380 13.2380 13.6227 13.6227 k = 0.5062 0.1430 0.0470 ( 2324 PWs) bands (ev): -23.6402 -23.6402 -6.6632 -6.6632 -5.4173 -5.4173 -4.7960 -4.7960 -2.3567 -2.3567 -2.1936 -2.1936 6.7754 6.7754 7.3071 7.3071 7.3322 7.3322 8.2593 8.2593 9.6246 9.6246 9.6520 9.6520 12.6438 12.6438 12.6677 12.6677 13.2351 13.2351 13.5915 13.5915 k = 0.5031 0.1421 0.0664 ( 2324 PWs) bands (ev): -23.6407 -23.6407 -6.6643 -6.6643 -5.4153 -5.4153 -4.7926 -4.7926 -2.3573 -2.3573 -2.1951 -2.1951 6.7748 6.7748 7.3207 7.3207 7.3322 7.3322 8.2397 8.2397 9.6326 9.6326 9.6585 9.6585 12.6553 12.6553 12.6614 12.6614 13.2337 13.2337 13.5720 13.5720 k = 0.5000 0.1412 0.0859 ( 2324 PWs) bands (ev): -23.6408 -23.6408 -6.6646 -6.6646 -5.4146 -5.4146 -4.7915 -4.7915 -2.3575 -2.3575 -2.1956 -2.1956 6.7746 6.7746 7.3239 7.3239 7.3338 7.3338 8.2330 8.2330 9.6350 9.6350 9.6609 9.6609 12.6587 12.6587 12.6597 12.6597 13.2333 13.2333 13.5653 13.5653 k = 0.5000-0.8146-0.4953 ( 2352 PWs) bands (ev): -23.4443 -23.4443 -7.0380 -7.0380 -5.7510 -5.7510 -5.1921 -5.1921 -2.1838 -2.1838 -2.1698 -2.1698 6.3326 6.3326 7.1505 7.1505 7.7542 7.7542 8.1355 8.1355 8.2707 8.2707 8.9449 8.9449 11.8379 11.8379 12.8022 12.8022 14.5299 14.5299 14.6662 14.6662 k = 0.5166-0.8072-0.4908 ( 2353 PWs) bands (ev): -23.4443 -23.4443 -7.0379 -7.0379 -5.7509 -5.7509 -5.1921 -5.1921 -2.2131 -2.2131 -2.1403 -2.1403 6.3281 6.3281 7.1533 7.1533 7.7524 7.7524 8.1283 8.1283 8.2808 8.2808 8.9473 8.9473 11.8259 11.8259 12.8162 12.8162 14.5298 14.5298 14.6660 14.6660 k = 0.5332-0.7998-0.4863 ( 2349 PWs) bands (ev): -23.4443 -23.4443 -7.0376 -7.0376 -5.7507 -5.7507 -5.1920 -5.1920 -2.2481 -2.2481 -2.1049 -2.1049 6.3148 6.3148 7.1612 7.1612 7.7471 7.7471 8.1109 8.1109 8.3067 8.3067 8.9546 8.9546 11.7918 11.7918 12.8561 12.8561 14.5294 14.5294 14.6652 14.6652 k = 0.5498-0.7923-0.4818 ( 2351 PWs) bands (ev): -23.4443 -23.4443 -7.0371 -7.0371 -5.7505 -5.7505 -5.1919 -5.1919 -2.2830 -2.2830 -2.0694 -2.0694 6.2936 6.2936 7.1735 7.1735 7.7384 7.7384 8.0898 8.0898 8.3419 8.3419 8.9666 8.9666 11.7402 11.7402 12.9174 12.9174 14.5289 14.5289 14.6640 14.6640 k = 0.5663-0.7849-0.4773 ( 2353 PWs) bands (ev): -23.4444 -23.4444 -7.0364 -7.0364 -5.7501 -5.7501 -5.1917 -5.1917 -2.3175 -2.3175 -2.0340 -2.0340 6.2656 6.2656 7.1892 7.1892 7.7266 7.7266 8.0684 8.0684 8.3831 8.3831 8.9827 8.9827 11.6762 11.6762 12.9947 12.9947 14.5282 14.5282 14.6623 14.6623 k = 0.5829-0.7775-0.4728 ( 2353 PWs) bands (ev): -23.4444 -23.4444 -7.0355 -7.0355 -5.7497 -5.7497 -5.1915 -5.1915 -2.3515 -2.3515 -1.9990 -1.9990 6.2320 6.2320 7.2071 7.2071 7.7121 7.7121 8.0480 8.0480 8.4287 8.4287 9.0028 9.0028 11.6041 11.6041 13.0838 13.0838 14.5273 14.5273 14.6602 14.6602 k = 0.5995-0.7700-0.4682 ( 2355 PWs) bands (ev): -23.4445 -23.4445 -7.0344 -7.0344 -5.7491 -5.7491 -5.1912 -5.1912 -2.3847 -2.3847 -1.9645 -1.9645 6.1941 6.1941 7.2261 7.2261 7.6955 7.6955 8.0293 8.0293 8.4780 8.4780 9.0262 9.0262 11.5269 11.5269 13.1813 13.1813 14.5262 14.5262 14.6577 14.6577 k = 0.6161-0.7626-0.4637 ( 2358 PWs) bands (ev): -23.4445 -23.4445 -7.0332 -7.0332 -5.7485 -5.7485 -5.1909 -5.1909 -2.4172 -2.4172 -1.9306 -1.9306 6.1531 6.1531 7.2452 7.2452 7.6770 7.6770 8.0126 8.0126 8.5306 8.5306 9.0524 9.0524 11.4467 11.4467 13.2850 13.2850 14.5250 14.5250 14.6548 14.6548 k = 0.6327-0.7552-0.4592 ( 2352 PWs) bands (ev): -23.4446 -23.4446 -7.0318 -7.0318 -5.7478 -5.7478 -5.1906 -5.1906 -2.4488 -2.4488 -1.8974 -1.8974 6.1099 6.1099 7.2635 7.2635 7.6571 7.6571 7.9981 7.9981 8.5859 8.5859 9.0809 9.0809 11.3650 11.3650 13.3929 13.3929 14.5236 14.5236 14.6515 14.6515 k = 0.6493-0.7477-0.4547 ( 2346 PWs) bands (ev): -23.4447 -23.4447 -7.0303 -7.0303 -5.7470 -5.7470 -5.1902 -5.1902 -2.4793 -2.4793 -1.8650 -1.8650 6.0655 6.0655 7.2806 7.2806 7.6363 7.6363 7.9859 7.9859 8.6438 8.6438 9.1111 9.1111 11.2828 11.2828 13.5040 13.5040 14.5220 14.5220 14.6479 14.6479 k = 0.6659-0.7403-0.4502 ( 2345 PWs) bands (ev): -23.4448 -23.4448 -7.0286 -7.0286 -5.7462 -5.7462 -5.1898 -5.1898 -2.5088 -2.5088 -1.8337 -1.8337 6.0205 6.0205 7.2958 7.2958 7.6149 7.6149 7.9761 7.9761 8.7039 8.7039 9.1426 9.1426 11.2008 11.2008 13.6170 13.6170 14.5204 14.5204 14.6440 14.6440 k = 0.6824-0.7329-0.4456 ( 2343 PWs) bands (ev): -23.4449 -23.4449 -7.0269 -7.0269 -5.7453 -5.7453 -5.1894 -5.1894 -2.5371 -2.5371 -1.8035 -1.8035 5.9756 5.9756 7.3089 7.3089 7.5933 7.5933 7.9686 7.9686 8.7659 8.7659 9.1748 9.1748 11.1194 11.1194 13.7312 13.7312 14.5186 14.5186 14.6399 14.6399 k = 0.6990-0.7254-0.4411 ( 2344 PWs) bands (ev): -23.4450 -23.4450 -7.0250 -7.0250 -5.7444 -5.7444 -5.1890 -5.1890 -2.5640 -2.5640 -1.7744 -1.7744 5.9314 5.9314 7.3197 7.3197 7.5718 7.5718 7.9636 7.9636 8.8293 8.8293 9.2073 9.2073 11.0390 11.0390 13.8457 13.8457 14.5169 14.5169 14.6356 14.6356 k = 0.7156-0.7180-0.4366 ( 2344 PWs) bands (ev): -23.4451 -23.4451 -7.0231 -7.0231 -5.7435 -5.7435 -5.1886 -5.1886 -2.5896 -2.5896 -1.7468 -1.7468 5.8884 5.8884 7.3281 7.3281 7.5507 7.5507 7.9609 7.9609 8.8938 8.8938 9.2397 9.2397 10.9598 10.9598 13.9597 13.9597 14.5151 14.5151 14.6313 14.6313 k = 0.7322-0.7106-0.4321 ( 2340 PWs) bands (ev): -23.4452 -23.4452 -7.0211 -7.0211 -5.7426 -5.7426 -5.1882 -5.1882 -2.6138 -2.6138 -1.7206 -1.7206 5.8468 5.8468 7.3343 7.3343 7.5302 7.5302 7.9603 7.9603 8.9590 8.9590 9.2716 9.2716 10.8820 10.8820 14.0725 14.0725 14.5133 14.5133 14.6269 14.6269 k = 0.7488-0.7031-0.4276 ( 2341 PWs) bands (ev): -23.4454 -23.4454 -7.0190 -7.0190 -5.7416 -5.7416 -5.1879 -5.1879 -2.6364 -2.6364 -1.6960 -1.6960 5.8072 5.8072 7.3383 7.3383 7.5106 7.5106 7.9619 7.9619 9.0244 9.0244 9.3027 9.3027 10.8058 10.8058 14.1830 14.1830 14.5117 14.5117 14.6226 14.6226 k = 0.7654-0.6957-0.4230 ( 2343 PWs) bands (ev): -23.4455 -23.4455 -7.0170 -7.0170 -5.7407 -5.7407 -5.1875 -5.1875 -2.6573 -2.6573 -1.6730 -1.6730 5.7697 5.7697 7.3403 7.3403 7.4921 7.4921 7.9653 7.9653 9.0896 9.0896 9.3326 9.3326 10.7315 10.7315 14.2904 14.2904 14.5106 14.5106 14.6184 14.6184 k = 0.7820-0.6883-0.4185 ( 2342 PWs) bands (ev): -23.4457 -23.4457 -7.0149 -7.0149 -5.7399 -5.7399 -5.1872 -5.1872 -2.6766 -2.6766 -1.6518 -1.6518 5.7348 5.7348 7.3405 7.3405 7.4747 7.4747 7.9704 7.9704 9.1539 9.1539 9.3612 9.3612 10.6591 10.6591 14.3923 14.3923 14.5111 14.5111 14.6146 14.6146 k = 0.7985-0.6809-0.4140 ( 2342 PWs) bands (ev): -23.4458 -23.4458 -7.0129 -7.0129 -5.7390 -5.7390 -5.1868 -5.1868 -2.6942 -2.6942 -1.6326 -1.6326 5.7025 5.7025 7.3393 7.3393 7.4587 7.4587 7.9769 7.9769 9.2166 9.2166 9.3885 9.3885 10.5891 10.5891 14.4758 14.4758 14.5250 14.5250 14.6118 14.6118 k = 0.8151-0.6734-0.4095 ( 2342 PWs) bands (ev): -23.4460 -23.4460 -7.0109 -7.0109 -5.7382 -5.7382 -5.1866 -5.1866 -2.7099 -2.7099 -1.6152 -1.6152 5.6732 5.6732 7.3368 7.3368 7.4442 7.4442 7.9847 7.9847 9.2765 9.2765 9.4146 9.4146 10.5217 10.5217 14.4956 14.4956 14.5875 14.5875 14.6187 14.6187 Writing output data file SrZrN2.save init_run : 0.23s CPU 0.34s WALL ( 1 calls) electrons : 111.02s CPU 112.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 111.02s CPU 112.59s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 359 calls) cegterg : 98.59s CPU 99.82s WALL ( 379 calls) Called by sum_band: Called by *egterg: h_psi : 78.75s CPU 79.66s WALL ( 6651 calls) s_psi : 0.94s CPU 1.04s WALL ( 6651 calls) g_psi : 0.11s CPU 0.08s WALL ( 5913 calls) cdiaghg : 24.73s CPU 25.19s WALL ( 6272 calls) cegterg:over : 1.97s CPU 2.01s WALL ( 5913 calls) cegterg:upda : 1.42s CPU 1.42s WALL ( 5913 calls) cegterg:last : 0.93s CPU 0.90s WALL ( 1292 calls) cdiaghg:chol : 1.24s CPU 1.29s WALL ( 6272 calls) cdiaghg:inve : 0.70s CPU 0.71s WALL ( 6272 calls) cdiaghg:para : 1.34s CPU 1.39s WALL ( 12544 calls) Called by h_psi: h_psi:vloc : 75.62s CPU 76.53s WALL ( 6651 calls) h_psi:vnl : 3.04s CPU 3.08s WALL ( 6651 calls) add_vuspsi : 1.49s CPU 1.51s WALL ( 6651 calls) General routines calbec : 1.54s CPU 1.55s WALL ( 6651 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 70.73s CPU 71.69s WALL ( 536312 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.10s WALL ( 718 calls) Parallel routines fft_scatter : 17.47s CPU 17.91s WALL ( 536335 calls) PWSCF : 2m 0.44s CPU 2m30.43s WALL This run was terminated on: 21: 3: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=