Program PWSCF v.5.1.1 starts on 5Dec2015 at 9: 1:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr2Al4C5.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 87 53 16 1827 869 143 Max 88 54 17 1830 887 146 Sum 4215 2587 769 87767 42033 6951 bravais-lattice index = 14 lattice parameter (alat) = 26.0468 a.u. unit-cell volume = 880.1480 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 26.046791 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.970961 celldm(5)= 0.970961 celldm(6)= 0.970961 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.970961 0.239237 0.000000 ) a(3) = ( 0.970961 0.117856 0.208193 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -4.058580 -2.366239 ) b(2) = ( 0.000000 4.179961 -2.366239 ) b(3) = ( 0.000000 0.000000 4.803245 ) PseudoPot. # 1 for Zr read from file: /home/autes/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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Al 3.00 26.98150 Al( 1.00) C 4.00 12.01070 C( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0090909 -0.0368962 -0.0215113), wk = 0.0029851 k( 3) = ( 0.0181818 -0.0737924 -0.0430225), wk = 0.0029851 k( 4) = ( 0.0272727 -0.1106886 -0.0645338), wk = 0.0029851 k( 5) = ( 0.0363636 -0.1475848 -0.0860450), wk = 0.0029851 k( 6) = ( 0.0454546 -0.1844809 -0.1075563), wk = 0.0029851 k( 7) = ( 0.0545455 -0.2213771 -0.1290675), wk = 0.0029851 k( 8) = ( 0.0636364 -0.2582733 -0.1505788), wk = 0.0029851 k( 9) = ( 0.0727273 -0.2951695 -0.1720901), wk = 0.0029851 k( 10) = ( 0.0818182 -0.3320657 -0.1936013), wk = 0.0029851 k( 11) = ( 0.0909091 -0.3689619 -0.2151126), wk = 0.0029851 k( 12) = ( 0.1000000 -0.4058580 -0.2366239), wk = 0.0029851 k( 13) = ( 0.1090909 -0.4427542 -0.2581351), wk = 0.0029851 k( 14) = ( 0.1181818 -0.4796504 -0.2796464), wk = 0.0029851 k( 15) = ( 0.1272727 -0.5165466 -0.3011576), wk = 0.0029851 k( 16) = ( 0.1363636 -0.5534428 -0.3226689), wk = 0.0029851 k( 17) = ( 0.1454545 -0.5903390 -0.3441802), wk = 0.0029851 k( 18) = ( 0.1545455 -0.6272351 -0.3656914), wk = 0.0029851 k( 19) = ( 0.1636364 -0.6641313 -0.3872027), wk = 0.0029851 k( 20) = ( 0.1727273 -0.7010275 -0.4087139), wk = 0.0029851 k( 21) = ( 0.1818182 -0.7379237 -0.4302252), wk = 0.0029851 k( 22) = ( 0.1909091 -0.7748199 -0.4517365), wk = 0.0029851 k( 23) = ( 0.2000000 -0.8117161 -0.4732477), wk = 0.0029851 k( 24) = ( 0.2090909 -0.8486123 -0.4947590), wk = 0.0029851 k( 25) = ( 0.2181818 -0.8855085 -0.5162702), wk = 0.0029851 k( 26) = ( 0.2272727 -0.9224046 -0.5377815), wk = 0.0029851 k( 27) = ( 0.2363636 -0.9593008 -0.5592928), wk = 0.0029851 k( 28) = ( 0.2454545 -0.9961970 -0.5808040), wk = 0.0029851 k( 29) = ( 0.2545455 -1.0330932 -0.6023153), wk = 0.0029851 k( 30) = ( 0.2636364 -1.0699894 -0.6238265), wk = 0.0029851 k( 31) = ( 0.2727273 -1.1068856 -0.6453378), wk = 0.0029851 k( 32) = ( 0.2818182 -1.1437817 -0.6668491), wk = 0.0029851 k( 33) = ( 0.2909091 -1.1806779 -0.6883603), wk = 0.0029851 k( 34) = ( 0.3000000 -1.2175741 -0.7098716), wk = 0.0029851 k( 35) = ( 0.3090909 -1.2544703 -0.7313828), wk = 0.0029851 k( 36) = ( 0.3181818 -1.2913665 -0.7528941), wk = 0.0029851 k( 37) = ( 0.3272727 -1.3282627 -0.7744054), wk = 0.0029851 k( 38) = ( 0.3363636 -1.3651589 -0.7959166), wk = 0.0029851 k( 39) = ( 0.3454546 -1.4020551 -0.8174279), wk = 0.0029851 k( 40) = ( 0.3545454 -1.4389512 -0.8389391), wk = 0.0029851 k( 41) = ( 0.3636364 -1.4758474 -0.8604504), wk = 0.0029851 k( 42) = ( 0.3727273 -1.5127436 -0.8819617), wk = 0.0029851 k( 43) = ( 0.3818182 -1.5496398 -0.9034729), wk = 0.0029851 k( 44) = ( 0.3909091 -1.5865360 -0.9249842), wk = 0.0029851 k( 45) = ( 0.4000000 -1.6234322 -0.9464954), wk = 0.0029851 k( 46) = ( 0.4090909 -1.6603283 -0.9680067), wk = 0.0029851 k( 47) = ( 0.4181818 -1.6972245 -0.9895180), wk = 0.0029851 k( 48) = ( 0.4272727 -1.7341207 -1.0110292), wk = 0.0029851 k( 49) = ( 0.4363636 -1.7710169 -1.0325405), wk = 0.0029851 k( 50) = ( 0.4454546 -1.8079131 -1.0540517), wk = 0.0029851 k( 51) = ( 0.4545455 -1.8448093 -1.0755630), wk = 0.0029851 k( 52) = ( 0.4636364 -1.8817054 -1.0970743), wk = 0.0029851 k( 53) = ( 0.4727273 -1.9186016 -1.1185855), wk = 0.0029851 k( 54) = ( 0.4818182 -1.9554978 -1.1400968), wk = 0.0029851 k( 55) = ( 0.4909091 -1.9923940 -1.1616080), wk = 0.0029851 k( 56) = ( 0.5000000 -2.0292902 -1.1831193), wk = 0.0029851 k( 57) = ( 0.5000000 -2.0292902 -1.1831193), wk = 0.0029851 k( 58) = ( 0.5000000 -2.0077625 -1.2200436), wk = 0.0029851 k( 59) = ( 0.5000000 -1.9862348 -1.2569680), wk = 0.0029851 k( 60) = ( 0.5000000 -1.9647072 -1.2938923), wk = 0.0029851 k( 61) = ( 0.5000000 -1.9431795 -1.3308166), wk = 0.0029851 k( 62) = ( 0.5000000 -1.9216519 -1.3677410), wk = 0.0029851 k( 63) = ( 0.5000000 -1.9001242 -1.4046653), wk = 0.0029851 k( 64) = ( 0.5000000 -1.8785965 -1.4415896), wk = 0.0029851 k( 65) = ( 0.5000000 -1.8570688 -1.4785140), wk = 0.0029851 k( 66) = ( 0.5000000 -1.8355411 -1.5154383), wk = 0.0029851 k( 67) = ( 0.5000000 -1.8140135 -1.5523627), wk = 0.0029851 k( 68) = ( 0.5000000 -1.7924858 -1.5892870), wk = 0.0029851 k( 69) = ( 0.5000000 -1.7709582 -1.6262113), wk = 0.0029851 k( 70) = ( 0.5000000 -1.7494305 -1.6631356), wk = 0.0029851 k( 71) = ( 0.5000000 -1.7279028 -1.7000600), wk = 0.0029851 k( 72) = ( 0.5000000 -1.7063751 -1.7369843), wk = 0.0029851 k( 73) = ( 0.5000000 -1.6848474 -1.7739087), wk = 0.0029851 k( 74) = ( 0.5000000 -1.6633198 -1.8108330), wk = 0.0029851 k( 75) = ( 0.5000000 -1.6417921 -1.8477574), wk = 0.0029851 k( 76) = ( 0.5000000 -1.6202644 -1.8846817), wk = 0.0029851 k( 77) = ( 0.5000000 -1.5987368 -1.9216060), wk = 0.0029851 k( 78) = ( 0.5000000 -1.5772091 -1.9585303), wk = 0.0029851 k( 79) = ( 0.5000000 -1.5556814 -1.9954547), wk = 0.0029851 k( 80) = ( 0.5000000 -1.5341537 -2.0323790), wk = 0.0029851 k( 81) = ( 0.5000000 -1.5126261 -2.0693034), wk = 0.0029851 k( 82) = ( 0.5000000 -1.4910984 -2.1062277), wk = 0.0029851 k( 83) = ( 0.5000000 -1.4695707 -2.1431520), wk = 0.0029851 k( 84) = ( 0.5000000 -1.4480431 -2.1800763), wk = 0.0029851 k( 85) = ( 0.5000000 -1.4265154 -2.2170007), wk = 0.0029851 k( 86) = ( 0.5000000 -1.4049877 -2.2539250), wk = 0.0029851 k( 87) = ( 0.5000000 -1.3834600 -2.2908494), wk = 0.0029851 k( 88) = ( 0.5000000 -1.3619324 -2.3277737), wk = 0.0029851 k( 89) = ( 0.5000000 -1.3404047 -2.3646980), wk = 0.0029851 k( 90) = ( 0.5000000 -1.3188770 -2.4016224), wk = 0.0029851 k( 91) = ( 0.8300431 -1.2788161 -2.3308548), wk = 0.0029851 k( 92) = ( 0.8248043 -1.2575541 -2.2932955), wk = 0.0029851 k( 93) = ( 0.8195655 -1.2362921 -2.2557361), wk = 0.0029851 k( 94) = ( 0.8143268 -1.2150301 -2.2181768), wk = 0.0029851 k( 95) = ( 0.8090880 -1.1937681 -2.1806175), wk = 0.0029851 k( 96) = ( 0.8038492 -1.1725061 -2.1430581), wk = 0.0029851 k( 97) = ( 0.7986104 -1.1512441 -2.1054988), wk = 0.0029851 k( 98) = ( 0.7933717 -1.1299821 -2.0679395), wk = 0.0029851 k( 99) = ( 0.7881329 -1.1087201 -2.0303801), wk = 0.0029851 k( 100) = ( 0.7828941 -1.0874581 -1.9928208), wk = 0.0029851 k( 101) = ( 0.7776553 -1.0661961 -1.9552614), wk = 0.0029851 k( 102) = ( 0.7724165 -1.0449341 -1.9177021), wk = 0.0029851 k( 103) = ( 0.7671778 -1.0236721 -1.8801427), wk = 0.0029851 k( 104) = ( 0.7619390 -1.0024101 -1.8425834), wk = 0.0029851 k( 105) = ( 0.7567002 -0.9811480 -1.8050240), wk = 0.0029851 k( 106) = ( 0.7514614 -0.9598860 -1.7674647), wk = 0.0029851 k( 107) = ( 0.7462226 -0.9386240 -1.7299053), wk = 0.0029851 k( 108) = ( 0.7409839 -0.9173620 -1.6923460), wk = 0.0029851 k( 109) = ( 0.7357451 -0.8961000 -1.6547867), wk = 0.0029851 k( 110) = ( 0.7305063 -0.8748380 -1.6172273), wk = 0.0029851 k( 111) = ( 0.7252675 -0.8535760 -1.5796680), wk = 0.0029851 k( 112) = ( 0.7200287 -0.8323140 -1.5421086), wk = 0.0029851 k( 113) = ( 0.7147900 -0.8110520 -1.5045493), wk = 0.0029851 k( 114) = ( 0.7095512 -0.7897900 -1.4669899), wk = 0.0029851 k( 115) = ( 0.7043124 -0.7685279 -1.4294306), wk = 0.0029851 k( 116) = ( 0.6990736 -0.7472659 -1.3918712), wk = 0.0029851 k( 117) = ( 0.6938348 -0.7260039 -1.3543119), wk = 0.0029851 k( 118) = ( 0.6885961 -0.7047419 -1.3167525), wk = 0.0029851 k( 119) = ( 0.6833573 -0.6834799 -1.2791933), wk = 0.0029851 k( 120) = ( 0.6781185 -0.6622179 -1.2416339), wk = 0.0029851 k( 121) = ( 0.6728797 -0.6409559 -1.2040746), wk = 0.0029851 k( 122) = ( 0.6676410 -0.6196939 -1.1665152), wk = 0.0029851 k( 123) = ( 0.6624022 -0.5984319 -1.1289559), wk = 0.0029851 k( 124) = ( 0.6571634 -0.5771699 -1.0913965), wk = 0.0029851 k( 125) = ( 0.6519246 -0.5559079 -1.0538372), wk = 0.0029851 k( 126) = ( 0.6466858 -0.5346459 -1.0162778), wk = 0.0029851 k( 127) = ( 0.6414471 -0.5133839 -0.9787185), wk = 0.0029851 k( 128) = ( 0.6362083 -0.4921219 -0.9411592), wk = 0.0029851 k( 129) = ( 0.6309695 -0.4708598 -0.9035998), wk = 0.0029851 k( 130) = ( 0.6257307 -0.4495978 -0.8660405), wk = 0.0029851 k( 131) = ( 0.6204919 -0.4283358 -0.8284811), wk = 0.0029851 k( 132) = ( 0.6152532 -0.4070738 -0.7909218), wk = 0.0029851 k( 133) = ( 0.6100144 -0.3858118 -0.7533624), wk = 0.0029851 k( 134) = ( 0.6047756 -0.3645498 -0.7158031), wk = 0.0029851 k( 135) = ( 0.5995368 -0.3432878 -0.6782437), wk = 0.0029851 k( 136) = ( 0.5942980 -0.3220258 -0.6406844), wk = 0.0029851 k( 137) = ( 0.5890593 -0.3007638 -0.6031250), wk = 0.0029851 k( 138) = ( 0.5838205 -0.2795018 -0.5655657), wk = 0.0029851 k( 139) = ( 0.5785817 -0.2582398 -0.5280064), wk = 0.0029851 k( 140) = ( 0.5733429 -0.2369777 -0.4904470), wk = 0.0029851 k( 141) = ( 0.5681041 -0.2157157 -0.4528877), wk = 0.0029851 k( 142) = ( 0.5628654 -0.1944537 -0.4153283), wk = 0.0029851 k( 143) = ( 0.5576266 -0.1731918 -0.3777690), wk = 0.0029851 k( 144) = ( 0.5523878 -0.1519297 -0.3402097), wk = 0.0029851 k( 145) = ( 0.5471490 -0.1306677 -0.3026503), wk = 0.0029851 k( 146) = ( 0.5419102 -0.1094057 -0.2650910), wk = 0.0029851 k( 147) = ( 0.5366715 -0.0881437 -0.2275317), wk = 0.0029851 k( 148) = ( 0.5314327 -0.0668817 -0.1899723), wk = 0.0029851 k( 149) = ( 0.5261939 -0.0456197 -0.1524130), wk = 0.0029851 k( 150) = ( 0.5209551 -0.0243577 -0.1148536), wk = 0.0029851 k( 151) = ( 0.5157163 -0.0030957 -0.0772943), wk = 0.0029851 k( 152) = ( 0.5104776 0.0181663 -0.0397349), wk = 0.0029851 k( 153) = ( 0.5052388 0.0394283 -0.0021756), wk = 0.0029851 k( 154) = ( 0.5000000 0.0606904 0.0353838), wk = 0.0029851 k( 155) = ( 0.5000000 0.0606904 0.0353838), wk = 0.0029851 k( 156) = ( 0.4583333 0.0556328 0.0324351), wk = 0.0029851 k( 157) = ( 0.4166667 0.0505753 0.0294865), wk = 0.0029851 k( 158) = ( 0.3750000 0.0455178 0.0265378), wk = 0.0029851 k( 159) = ( 0.3333333 0.0404602 0.0235892), wk = 0.0029851 k( 160) = ( 0.2916667 0.0354027 0.0206405), wk = 0.0029851 k( 161) = ( 0.2500000 0.0303452 0.0176919), wk = 0.0029851 k( 162) = ( 0.2083333 0.0252876 0.0147432), wk = 0.0029851 k( 163) = ( 0.1666667 0.0202301 0.0117946), wk = 0.0029851 k( 164) = ( 0.1250000 0.0151726 0.0088459), wk = 0.0029851 k( 165) = ( 0.0833333 0.0101151 0.0058973), wk = 0.0029851 k( 166) = ( 0.0416667 0.0050575 0.0029486), wk = 0.0029851 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 169) = ( 0.0052340 -0.0212428 -0.0375254), wk = 0.0029851 k( 170) = ( 0.0104681 -0.0424855 -0.0750507), wk = 0.0029851 k( 171) = ( 0.0157021 -0.0637283 -0.1125760), wk = 0.0029851 k( 172) = ( 0.0209362 -0.0849710 -0.1501014), wk = 0.0029851 k( 173) = ( 0.0261702 -0.1062138 -0.1876267), wk = 0.0029851 k( 174) = ( 0.0314042 -0.1274566 -0.2251521), wk = 0.0029851 k( 175) = ( 0.0366383 -0.1486994 -0.2626775), wk = 0.0029851 k( 176) = ( 0.0418723 -0.1699421 -0.3002028), wk = 0.0029851 k( 177) = ( 0.0471063 -0.1911849 -0.3377281), wk = 0.0029851 k( 178) = ( 0.0523404 -0.2124276 -0.3752535), wk = 0.0029851 k( 179) = ( 0.0575744 -0.2336704 -0.4127788), wk = 0.0029851 k( 180) = ( 0.0628085 -0.2549132 -0.4503042), wk = 0.0029851 k( 181) = ( 0.0680425 -0.2761560 -0.4878296), wk = 0.0029851 k( 182) = ( 0.0732765 -0.2973987 -0.5253549), wk = 0.0029851 k( 183) = ( 0.0785106 -0.3186415 -0.5628802), wk = 0.0029851 k( 184) = ( 0.0837446 -0.3398842 -0.6004056), wk = 0.0029851 k( 185) = ( 0.0889787 -0.3611270 -0.6379309), wk = 0.0029851 k( 186) = ( 0.0942127 -0.3823698 -0.6754563), wk = 0.0029851 k( 187) = ( 0.0994467 -0.4036125 -0.7129817), wk = 0.0029851 k( 188) = ( 0.1046808 -0.4248553 -0.7505070), wk = 0.0029851 k( 189) = ( 0.1099148 -0.4460981 -0.7880323), wk = 0.0029851 k( 190) = ( 0.1151488 -0.4673408 -0.8255577), wk = 0.0029851 k( 191) = ( 0.1203829 -0.4885836 -0.8630831), wk = 0.0029851 k( 192) = ( 0.1256169 -0.5098264 -0.9006084), wk = 0.0029851 k( 193) = ( 0.1308509 -0.5310691 -0.9381337), wk = 0.0029851 k( 194) = ( 0.1360850 -0.5523119 -0.9756591), wk = 0.0029851 k( 195) = ( 0.1413190 -0.5735546 -1.0131844), wk = 0.0029851 k( 196) = ( 0.1465531 -0.5947974 -1.0507098), wk = 0.0029851 k( 197) = ( 0.1517871 -0.6160402 -1.0882352), wk = 0.0029851 k( 198) = ( 0.1570211 -0.6372830 -1.1257605), wk = 0.0029851 k( 199) = ( 0.1622552 -0.6585257 -1.1632858), wk = 0.0029851 k( 200) = ( 0.1674892 -0.6797685 -1.2008112), wk = 0.0029851 k( 201) = ( 0.1727233 -0.7010112 -1.2383365), wk = 0.0029851 k( 202) = ( 0.1779573 -0.7222540 -1.2758619), wk = 0.0029851 k( 203) = ( 0.1831913 -0.7434968 -1.3133873), wk = 0.0029851 k( 204) = ( 0.1884254 -0.7647395 -1.3509125), wk = 0.0029851 k( 205) = ( 0.1936594 -0.7859823 -1.3884379), wk = 0.0029851 k( 206) = ( 0.1988934 -0.8072251 -1.4259633), wk = 0.0029851 k( 207) = ( 0.2041275 -0.8284678 -1.4634886), wk = 0.0029851 k( 208) = ( 0.2093615 -0.8497106 -1.5010140), wk = 0.0029851 k( 209) = ( 0.2145956 -0.8709534 -1.5385394), wk = 0.0029851 k( 210) = ( 0.2198296 -0.8921961 -1.5760647), wk = 0.0029851 k( 211) = ( 0.2250636 -0.9134389 -1.6135900), wk = 0.0029851 k( 212) = ( 0.2302977 -0.9346816 -1.6511154), wk = 0.0029851 k( 213) = ( 0.2355317 -0.9559244 -1.6886407), wk = 0.0029851 k( 214) = ( 0.2407658 -0.9771672 -1.7261661), wk = 0.0029851 k( 215) = ( 0.2459998 -0.9984099 -1.7636914), wk = 0.0029851 k( 216) = ( 0.2512338 -1.0196527 -1.8012168), wk = 0.0029851 k( 217) = ( 0.2564679 -1.0408955 -1.8387421), wk = 0.0029851 k( 218) = ( 0.2617019 -1.0621382 -1.8762675), wk = 0.0029851 k( 219) = ( 0.2669359 -1.0833810 -1.9137928), wk = 0.0029851 k( 220) = ( 0.2721700 -1.1046238 -1.9513182), wk = 0.0029851 k( 221) = ( 0.2774040 -1.1258665 -1.9888435), wk = 0.0029851 k( 222) = ( 0.2826381 -1.1471093 -2.0263689), wk = 0.0029851 k( 223) = ( 0.2878721 -1.1683521 -2.0638942), wk = 0.0029851 k( 224) = ( 0.2931061 -1.1895948 -2.1014196), wk = 0.0029851 k( 225) = ( 0.2983402 -1.2108376 -2.1389449), wk = 0.0029851 k( 226) = ( 0.3035742 -1.2320803 -2.1764702), wk = 0.0029851 k( 227) = ( 0.3088083 -1.2533231 -2.2139956), wk = 0.0029851 k( 228) = ( 0.3140423 -1.2745659 -2.2515210), wk = 0.0029851 k( 229) = ( 0.3192763 -1.2958087 -2.2890463), wk = 0.0029851 k( 230) = ( 0.3245104 -1.3170514 -2.3265717), wk = 0.0029851 k( 231) = ( 0.3297444 -1.3382942 -2.3640970), wk = 0.0029851 k( 232) = ( 0.3349784 -1.3595369 -2.4016223), wk = 0.0029851 k( 233) = ( 0.6650216 -1.2988466 -2.3662386), wk = 0.0029851 k( 234) = ( 0.6598646 -1.2563610 -2.3662386), wk = 0.0029851 k( 235) = ( 0.6547077 -1.2138755 -2.3662386), wk = 0.0029851 k( 236) = ( 0.6495508 -1.1713900 -2.3662386), wk = 0.0029851 k( 237) = ( 0.6443939 -1.1289045 -2.3662386), wk = 0.0029851 k( 238) = ( 0.6392369 -1.0864190 -2.3662386), wk = 0.0029851 k( 239) = ( 0.6340800 -1.0439334 -2.3662386), wk = 0.0029851 k( 240) = ( 0.6289231 -1.0014479 -2.3662386), wk = 0.0029851 k( 241) = ( 0.6237662 -0.9589624 -2.3662386), wk = 0.0029851 k( 242) = ( 0.6186092 -0.9164768 -2.3662386), wk = 0.0029851 k( 243) = ( 0.6134523 -0.8739913 -2.3662386), wk = 0.0029851 k( 244) = ( 0.6082954 -0.8315058 -2.3662386), wk = 0.0029851 k( 245) = ( 0.6031385 -0.7890202 -2.3662386), wk = 0.0029851 k( 246) = ( 0.5979815 -0.7465347 -2.3662386), wk = 0.0029851 k( 247) = ( 0.5928246 -0.7040492 -2.3662386), wk = 0.0029851 k( 248) = ( 0.5876677 -0.6615636 -2.3662386), wk = 0.0029851 k( 249) = ( 0.5825108 -0.6190781 -2.3662386), wk = 0.0029851 k( 250) = ( 0.5773538 -0.5765925 -2.3662386), wk = 0.0029851 k( 251) = ( 0.5721969 -0.5341070 -2.3662386), wk = 0.0029851 k( 252) = ( 0.5670400 -0.4916215 -2.3662386), wk = 0.0029851 k( 253) = ( 0.5618831 -0.4491360 -2.3662386), wk = 0.0029851 k( 254) = ( 0.5567262 -0.4066505 -2.3662386), wk = 0.0029851 k( 255) = ( 0.5515692 -0.3641650 -2.3662386), wk = 0.0029851 k( 256) = ( 0.5464123 -0.3216794 -2.3662386), wk = 0.0029851 k( 257) = ( 0.5412554 -0.2791939 -2.3662386), wk = 0.0029851 k( 258) = ( 0.5360985 -0.2367084 -2.3662386), wk = 0.0029851 k( 259) = ( 0.5309415 -0.1942228 -2.3662386), wk = 0.0029851 k( 260) = ( 0.5257846 -0.1517373 -2.3662386), wk = 0.0029851 k( 261) = ( 0.5206277 -0.1092517 -2.3662386), wk = 0.0029851 k( 262) = ( 0.5154708 -0.0667662 -2.3662386), wk = 0.0029851 k( 263) = ( 0.5103138 -0.0242807 -2.3662386), wk = 0.0029851 k( 264) = ( 0.5051569 0.0182049 -2.3662386), wk = 0.0029851 k( 265) = ( 0.5000000 0.0606904 -2.3662386), wk = 0.0029851 k( 266) = ( 0.5000000 0.0606904 -2.3662386), wk = 0.0029851 k( 267) = ( 0.5412554 0.0656980 -2.3573927), wk = 0.0029851 k( 268) = ( 0.5825108 0.0707056 -2.3485467), wk = 0.0029851 k( 269) = ( 0.6237662 0.0757132 -2.3397008), wk = 0.0029851 k( 270) = ( 0.6650216 0.0807208 -2.3308548), wk = 0.0029851 k( 271) = ( 0.6650216 0.0807208 -2.3308548), wk = 0.0029851 k( 272) = ( 0.6620212 0.0803566 -2.2878323), wk = 0.0029851 k( 273) = ( 0.6590208 0.0799924 -2.2448098), wk = 0.0029851 k( 274) = ( 0.6560204 0.0796282 -2.2017873), wk = 0.0029851 k( 275) = ( 0.6530200 0.0792640 -2.1587648), wk = 0.0029851 k( 276) = ( 0.6500196 0.0788998 -2.1157422), wk = 0.0029851 k( 277) = ( 0.6470192 0.0785356 -2.0727197), wk = 0.0029851 k( 278) = ( 0.6440188 0.0781715 -2.0296972), wk = 0.0029851 k( 279) = ( 0.6410184 0.0778073 -1.9866747), wk = 0.0029851 k( 280) = ( 0.6380180 0.0774431 -1.9436522), wk = 0.0029851 k( 281) = ( 0.6350176 0.0770789 -1.9006296), wk = 0.0029851 k( 282) = ( 0.6320172 0.0767147 -1.8576071), wk = 0.0029851 k( 283) = ( 0.6290168 0.0763505 -1.8145846), wk = 0.0029851 k( 284) = ( 0.6260165 0.0759863 -1.7715621), wk = 0.0029851 k( 285) = ( 0.6230161 0.0756221 -1.7285396), wk = 0.0029851 k( 286) = ( 0.6200157 0.0752579 -1.6855171), wk = 0.0029851 k( 287) = ( 0.6170153 0.0748938 -1.6424945), wk = 0.0029851 k( 288) = ( 0.6140149 0.0745296 -1.5994720), wk = 0.0029851 k( 289) = ( 0.6110145 0.0741654 -1.5564494), wk = 0.0029851 k( 290) = ( 0.6080141 0.0738012 -1.5134270), wk = 0.0029851 k( 291) = ( 0.6050137 0.0734370 -1.4704045), wk = 0.0029851 k( 292) = ( 0.6020133 0.0730728 -1.4273819), wk = 0.0029851 k( 293) = ( 0.5990129 0.0727086 -1.3843594), wk = 0.0029851 k( 294) = ( 0.5960125 0.0723444 -1.3413368), wk = 0.0029851 k( 295) = ( 0.5930121 0.0719802 -1.2983144), wk = 0.0029851 k( 296) = ( 0.5900118 0.0716160 -1.2552919), wk = 0.0029851 k( 297) = ( 0.5870114 0.0712519 -1.2122693), wk = 0.0029851 k( 298) = ( 0.5840110 0.0708877 -1.1692468), wk = 0.0029851 k( 299) = ( 0.5810106 0.0705235 -1.1262242), wk = 0.0029851 k( 300) = ( 0.5780102 0.0701593 -1.0832017), wk = 0.0029851 k( 301) = ( 0.5750098 0.0697951 -1.0401793), wk = 0.0029851 k( 302) = ( 0.5720094 0.0694309 -0.9971567), wk = 0.0029851 k( 303) = ( 0.5690090 0.0690667 -0.9541342), wk = 0.0029851 k( 304) = ( 0.5660086 0.0687025 -0.9111117), wk = 0.0029851 k( 305) = ( 0.5630082 0.0683383 -0.8680891), wk = 0.0029851 k( 306) = ( 0.5600078 0.0679741 -0.8250667), wk = 0.0029851 k( 307) = ( 0.5570074 0.0676100 -0.7820441), wk = 0.0029851 k( 308) = ( 0.5540070 0.0672458 -0.7390216), wk = 0.0029851 k( 309) = ( 0.5510067 0.0668816 -0.6959991), wk = 0.0029851 k( 310) = ( 0.5480063 0.0665174 -0.6529765), wk = 0.0029851 k( 311) = ( 0.5450059 0.0661532 -0.6099540), wk = 0.0029851 k( 312) = ( 0.5420055 0.0657890 -0.5669315), wk = 0.0029851 k( 313) = ( 0.5390051 0.0654248 -0.5239090), wk = 0.0029851 k( 314) = ( 0.5360047 0.0650606 -0.4808865), wk = 0.0029851 k( 315) = ( 0.5330043 0.0646964 -0.4378639), wk = 0.0029851 k( 316) = ( 0.5300039 0.0643323 -0.3948414), wk = 0.0029851 k( 317) = ( 0.5270035 0.0639681 -0.3518189), wk = 0.0029851 k( 318) = ( 0.5240031 0.0636039 -0.3087964), wk = 0.0029851 k( 319) = ( 0.5210027 0.0632397 -0.2657739), wk = 0.0029851 k( 320) = ( 0.5180023 0.0628755 -0.2227513), wk = 0.0029851 k( 321) = ( 0.5150020 0.0625113 -0.1797288), wk = 0.0029851 k( 322) = ( 0.5120016 0.0621471 -0.1367063), wk = 0.0029851 k( 323) = ( 0.5090012 0.0617829 -0.0936838), wk = 0.0029851 k( 324) = ( 0.5060008 0.0614187 -0.0506613), wk = 0.0029851 k( 325) = ( 0.5030004 0.0610545 -0.0076387), wk = 0.0029851 k( 326) = ( 0.5000000 0.0606904 0.0353838), wk = 0.0029851 k( 327) = ( 0.5000000 -2.0292902 -1.1831193), wk = 0.0029851 k( 328) = ( 0.5412554 -2.0217039 -1.1786963), wk = 0.0029851 k( 329) = ( 0.5825108 -2.0141176 -1.1742734), wk = 0.0029851 k( 330) = ( 0.6237662 -2.0065313 -1.1698504), wk = 0.0029851 k( 331) = ( 0.6650216 -1.9989450 -1.1654274), wk = 0.0029851 k( 332) = ( 0.7062770 -1.9913587 -1.1610044), wk = 0.0029851 k( 333) = ( 0.7475323 -1.9837725 -1.1565815), wk = 0.0029851 k( 334) = ( 0.7887877 -1.9761861 -1.1521585), wk = 0.0029851 k( 335) = ( 0.8300431 -1.9685998 -1.1477355), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0029851 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0029851 k( 4) = ( 0.0272727 0.0000000 0.0000000), wk = 0.0029851 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0029851 k( 6) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0029851 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0029851 k( 8) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0029851 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0029851 k( 10) = ( 0.0818182 0.0000000 0.0000000), wk = 0.0029851 k( 11) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0029851 k( 12) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0029851 k( 13) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0029851 k( 14) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0029851 k( 15) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0029851 k( 16) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0029851 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0029851 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0029851 k( 19) = ( 0.1636364 0.0000000 0.0000000), wk = 0.0029851 k( 20) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0029851 k( 21) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0029851 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0029851 k( 23) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0029851 k( 24) = ( 0.2090909 0.0000000 -0.0000000), wk = 0.0029851 k( 25) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0029851 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0029851 k( 27) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0029851 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0029851 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0029851 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0029851 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0029851 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0029851 k( 33) = ( 0.2909091 0.0000000 0.0000000), wk = 0.0029851 k( 34) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0029851 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0029851 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0029851 k( 37) = ( 0.3272727 0.0000000 0.0000000), wk = 0.0029851 k( 38) = ( 0.3363636 0.0000000 0.0000000), wk = 0.0029851 k( 39) = ( 0.3454546 0.0000000 -0.0000000), wk = 0.0029851 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0029851 k( 41) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0029851 k( 42) = ( 0.3727273 0.0000000 -0.0000000), wk = 0.0029851 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0029851 k( 44) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0029851 k( 45) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0029851 k( 46) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0029851 k( 47) = ( 0.4181818 0.0000000 -0.0000000), wk = 0.0029851 k( 48) = ( 0.4272727 0.0000000 0.0000000), wk = 0.0029851 k( 49) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0029851 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0029851 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0029851 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0029851 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0029851 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0029851 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0029851 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029851 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029851 k( 58) = ( 0.5000000 0.0051502 -0.0051502), wk = 0.0029851 k( 59) = ( 0.5000000 0.0103004 -0.0103004), wk = 0.0029851 k( 60) = ( 0.5000000 0.0154506 -0.0154506), wk = 0.0029851 k( 61) = ( 0.5000000 0.0206008 -0.0206008), wk = 0.0029851 k( 62) = ( 0.5000000 0.0257510 -0.0257510), wk = 0.0029851 k( 63) = ( 0.5000000 0.0309013 -0.0309013), wk = 0.0029851 k( 64) = ( 0.5000000 0.0360515 -0.0360515), wk = 0.0029851 k( 65) = ( 0.5000000 0.0412017 -0.0412017), wk = 0.0029851 k( 66) = ( 0.5000000 0.0463519 -0.0463519), wk = 0.0029851 k( 67) = ( 0.5000000 0.0515021 -0.0515021), wk = 0.0029851 k( 68) = ( 0.5000000 0.0566523 -0.0566523), wk = 0.0029851 k( 69) = ( 0.5000000 0.0618025 -0.0618025), wk = 0.0029851 k( 70) = ( 0.5000000 0.0669527 -0.0669527), wk = 0.0029851 k( 71) = ( 0.5000000 0.0721029 -0.0721029), wk = 0.0029851 k( 72) = ( 0.5000000 0.0772531 -0.0772531), wk = 0.0029851 k( 73) = ( 0.5000000 0.0824033 -0.0824033), wk = 0.0029851 k( 74) = ( 0.5000000 0.0875536 -0.0875536), wk = 0.0029851 k( 75) = ( 0.5000000 0.0927038 -0.0927038), wk = 0.0029851 k( 76) = ( 0.5000000 0.0978540 -0.0978540), wk = 0.0029851 k( 77) = ( 0.5000000 0.1030042 -0.1030042), wk = 0.0029851 k( 78) = ( 0.5000000 0.1081544 -0.1081544), wk = 0.0029851 k( 79) = ( 0.5000000 0.1133046 -0.1133046), wk = 0.0029851 k( 80) = ( 0.5000000 0.1184548 -0.1184548), wk = 0.0029851 k( 81) = ( 0.5000000 0.1236050 -0.1236050), wk = 0.0029851 k( 82) = ( 0.5000000 0.1287552 -0.1287552), wk = 0.0029851 k( 83) = ( 0.5000000 0.1339054 -0.1339054), wk = 0.0029851 k( 84) = ( 0.5000000 0.1390556 -0.1390556), wk = 0.0029851 k( 85) = ( 0.5000000 0.1442058 -0.1442058), wk = 0.0029851 k( 86) = ( 0.5000000 0.1493561 -0.1493560), wk = 0.0029851 k( 87) = ( 0.5000000 0.1545063 -0.1545063), wk = 0.0029851 k( 88) = ( 0.5000000 0.1596565 -0.1596565), wk = 0.0029851 k( 89) = ( 0.5000000 0.1648067 -0.1648067), wk = 0.0029851 k( 90) = ( 0.5000000 0.1699569 -0.1699569), wk = 0.0029851 k( 91) = ( 0.8300431 0.5000000 0.1699569), wk = 0.0029851 k( 92) = ( 0.8248043 0.5000000 0.1751957), wk = 0.0029851 k( 93) = ( 0.8195655 0.5000000 0.1804345), wk = 0.0029851 k( 94) = ( 0.8143268 0.5000000 0.1856732), wk = 0.0029851 k( 95) = ( 0.8090880 0.5000000 0.1909120), wk = 0.0029851 k( 96) = ( 0.8038492 0.5000000 0.1961508), wk = 0.0029851 k( 97) = ( 0.7986104 0.5000000 0.2013896), wk = 0.0029851 k( 98) = ( 0.7933717 0.5000000 0.2066283), wk = 0.0029851 k( 99) = ( 0.7881329 0.5000000 0.2118671), wk = 0.0029851 k( 100) = ( 0.7828941 0.5000000 0.2171059), wk = 0.0029851 k( 101) = ( 0.7776553 0.5000000 0.2223447), wk = 0.0029851 k( 102) = ( 0.7724165 0.5000000 0.2275835), wk = 0.0029851 k( 103) = ( 0.7671778 0.5000000 0.2328222), wk = 0.0029851 k( 104) = ( 0.7619390 0.5000000 0.2380610), wk = 0.0029851 k( 105) = ( 0.7567002 0.5000000 0.2432998), wk = 0.0029851 k( 106) = ( 0.7514614 0.5000000 0.2485386), wk = 0.0029851 k( 107) = ( 0.7462226 0.5000000 0.2537774), wk = 0.0029851 k( 108) = ( 0.7409839 0.5000000 0.2590161), wk = 0.0029851 k( 109) = ( 0.7357451 0.5000000 0.2642549), wk = 0.0029851 k( 110) = ( 0.7305063 0.5000000 0.2694937), wk = 0.0029851 k( 111) = ( 0.7252675 0.5000000 0.2747325), wk = 0.0029851 k( 112) = ( 0.7200287 0.5000000 0.2799713), wk = 0.0029851 k( 113) = ( 0.7147900 0.5000000 0.2852100), wk = 0.0029851 k( 114) = ( 0.7095512 0.5000000 0.2904488), wk = 0.0029851 k( 115) = ( 0.7043124 0.5000000 0.2956876), wk = 0.0029851 k( 116) = ( 0.6990736 0.5000000 0.3009264), wk = 0.0029851 k( 117) = ( 0.6938348 0.5000000 0.3061652), wk = 0.0029851 k( 118) = ( 0.6885961 0.5000000 0.3114039), wk = 0.0029851 k( 119) = ( 0.6833573 0.5000000 0.3166427), wk = 0.0029851 k( 120) = ( 0.6781185 0.5000000 0.3218815), wk = 0.0029851 k( 121) = ( 0.6728797 0.5000000 0.3271203), wk = 0.0029851 k( 122) = ( 0.6676410 0.5000000 0.3323591), wk = 0.0029851 k( 123) = ( 0.6624022 0.5000000 0.3375978), wk = 0.0029851 k( 124) = ( 0.6571634 0.5000000 0.3428366), wk = 0.0029851 k( 125) = ( 0.6519246 0.5000000 0.3480754), wk = 0.0029851 k( 126) = ( 0.6466858 0.5000000 0.3533142), wk = 0.0029851 k( 127) = ( 0.6414471 0.5000000 0.3585529), wk = 0.0029851 k( 128) = ( 0.6362083 0.5000000 0.3637917), wk = 0.0029851 k( 129) = ( 0.6309695 0.5000000 0.3690305), wk = 0.0029851 k( 130) = ( 0.6257307 0.5000000 0.3742693), wk = 0.0029851 k( 131) = ( 0.6204919 0.5000000 0.3795081), wk = 0.0029851 k( 132) = ( 0.6152532 0.5000000 0.3847468), wk = 0.0029851 k( 133) = ( 0.6100144 0.5000000 0.3899856), wk = 0.0029851 k( 134) = ( 0.6047756 0.5000000 0.3952244), wk = 0.0029851 k( 135) = ( 0.5995368 0.5000000 0.4004632), wk = 0.0029851 k( 136) = ( 0.5942980 0.5000000 0.4057020), wk = 0.0029851 k( 137) = ( 0.5890593 0.5000000 0.4109408), wk = 0.0029851 k( 138) = ( 0.5838205 0.5000000 0.4161795), wk = 0.0029851 k( 139) = ( 0.5785817 0.5000000 0.4214183), wk = 0.0029851 k( 140) = ( 0.5733429 0.5000000 0.4266571), wk = 0.0029851 k( 141) = ( 0.5681041 0.5000000 0.4318959), wk = 0.0029851 k( 142) = ( 0.5628654 0.5000000 0.4371346), wk = 0.0029851 k( 143) = ( 0.5576266 0.5000000 0.4423734), wk = 0.0029851 k( 144) = ( 0.5523878 0.5000000 0.4476122), wk = 0.0029851 k( 145) = ( 0.5471490 0.5000000 0.4528510), wk = 0.0029851 k( 146) = ( 0.5419102 0.5000000 0.4580898), wk = 0.0029851 k( 147) = ( 0.5366715 0.5000000 0.4633285), wk = 0.0029851 k( 148) = ( 0.5314327 0.5000000 0.4685673), wk = 0.0029851 k( 149) = ( 0.5261939 0.5000000 0.4738061), wk = 0.0029851 k( 150) = ( 0.5209551 0.5000000 0.4790449), wk = 0.0029851 k( 151) = ( 0.5157163 0.5000000 0.4842837), wk = 0.0029851 k( 152) = ( 0.5104776 0.5000000 0.4895224), wk = 0.0029851 k( 153) = ( 0.5052388 0.5000000 0.4947612), wk = 0.0029851 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 156) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0029851 k( 157) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0029851 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029851 k( 159) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029851 k( 160) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0029851 k( 161) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 162) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0029851 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029851 k( 164) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029851 k( 165) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0029851 k( 166) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0029851 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 169) = ( 0.0052340 0.0000000 -0.0052340), wk = 0.0029851 k( 170) = ( 0.0104681 0.0000000 -0.0104681), wk = 0.0029851 k( 171) = ( 0.0157021 0.0000000 -0.0157021), wk = 0.0029851 k( 172) = ( 0.0209362 0.0000000 -0.0209361), wk = 0.0029851 k( 173) = ( 0.0261702 0.0000000 -0.0261702), wk = 0.0029851 k( 174) = ( 0.0314042 0.0000000 -0.0314042), wk = 0.0029851 k( 175) = ( 0.0366383 0.0000000 -0.0366383), wk = 0.0029851 k( 176) = ( 0.0418723 0.0000000 -0.0418723), wk = 0.0029851 k( 177) = ( 0.0471063 0.0000000 -0.0471063), wk = 0.0029851 k( 178) = ( 0.0523404 0.0000000 -0.0523404), wk = 0.0029851 k( 179) = ( 0.0575744 0.0000000 -0.0575744), wk = 0.0029851 k( 180) = ( 0.0628085 0.0000000 -0.0628085), wk = 0.0029851 k( 181) = ( 0.0680425 0.0000000 -0.0680425), wk = 0.0029851 k( 182) = ( 0.0732765 0.0000000 -0.0732765), wk = 0.0029851 k( 183) = ( 0.0785106 0.0000000 -0.0785106), wk = 0.0029851 k( 184) = ( 0.0837446 0.0000000 -0.0837446), wk = 0.0029851 k( 185) = ( 0.0889787 0.0000000 -0.0889787), wk = 0.0029851 k( 186) = ( 0.0942127 0.0000000 -0.0942127), wk = 0.0029851 k( 187) = ( 0.0994467 0.0000000 -0.0994467), wk = 0.0029851 k( 188) = ( 0.1046808 0.0000000 -0.1046808), wk = 0.0029851 k( 189) = ( 0.1099148 0.0000000 -0.1099148), wk = 0.0029851 k( 190) = ( 0.1151488 0.0000000 -0.1151488), wk = 0.0029851 k( 191) = ( 0.1203829 0.0000000 -0.1203829), wk = 0.0029851 k( 192) = ( 0.1256169 0.0000000 -0.1256169), wk = 0.0029851 k( 193) = ( 0.1308509 0.0000000 -0.1308509), wk = 0.0029851 k( 194) = ( 0.1360850 0.0000000 -0.1360850), wk = 0.0029851 k( 195) = ( 0.1413190 0.0000000 -0.1413190), wk = 0.0029851 k( 196) = ( 0.1465531 0.0000000 -0.1465531), wk = 0.0029851 k( 197) = ( 0.1517871 0.0000000 -0.1517871), wk = 0.0029851 k( 198) = ( 0.1570211 0.0000000 -0.1570211), wk = 0.0029851 k( 199) = ( 0.1622552 0.0000000 -0.1622552), wk = 0.0029851 k( 200) = ( 0.1674892 0.0000000 -0.1674892), wk = 0.0029851 k( 201) = ( 0.1727233 0.0000000 -0.1727233), wk = 0.0029851 k( 202) = ( 0.1779573 0.0000000 -0.1779573), wk = 0.0029851 k( 203) = ( 0.1831913 0.0000000 -0.1831913), wk = 0.0029851 k( 204) = ( 0.1884254 0.0000000 -0.1884254), wk = 0.0029851 k( 205) = ( 0.1936594 0.0000000 -0.1936594), wk = 0.0029851 k( 206) = ( 0.1988934 0.0000000 -0.1988934), wk = 0.0029851 k( 207) = ( 0.2041275 0.0000000 -0.2041275), wk = 0.0029851 k( 208) = ( 0.2093615 0.0000000 -0.2093615), wk = 0.0029851 k( 209) = ( 0.2145956 0.0000000 -0.2145956), wk = 0.0029851 k( 210) = ( 0.2198296 0.0000000 -0.2198296), wk = 0.0029851 k( 211) = ( 0.2250636 0.0000000 -0.2250636), wk = 0.0029851 k( 212) = ( 0.2302977 0.0000000 -0.2302977), wk = 0.0029851 k( 213) = ( 0.2355317 0.0000000 -0.2355317), wk = 0.0029851 k( 214) = ( 0.2407658 0.0000000 -0.2407658), wk = 0.0029851 k( 215) = ( 0.2459998 0.0000000 -0.2459998), wk = 0.0029851 k( 216) = ( 0.2512338 0.0000000 -0.2512338), wk = 0.0029851 k( 217) = ( 0.2564679 0.0000000 -0.2564679), wk = 0.0029851 k( 218) = ( 0.2617019 0.0000000 -0.2617019), wk = 0.0029851 k( 219) = ( 0.2669359 0.0000000 -0.2669359), wk = 0.0029851 k( 220) = ( 0.2721700 0.0000000 -0.2721700), wk = 0.0029851 k( 221) = ( 0.2774040 0.0000000 -0.2774040), wk = 0.0029851 k( 222) = ( 0.2826381 0.0000000 -0.2826381), wk = 0.0029851 k( 223) = ( 0.2878721 0.0000000 -0.2878721), wk = 0.0029851 k( 224) = ( 0.2931061 0.0000000 -0.2931061), wk = 0.0029851 k( 225) = ( 0.2983402 0.0000000 -0.2983402), wk = 0.0029851 k( 226) = ( 0.3035742 0.0000000 -0.3035742), wk = 0.0029851 k( 227) = ( 0.3088083 0.0000000 -0.3088083), wk = 0.0029851 k( 228) = ( 0.3140423 0.0000000 -0.3140423), wk = 0.0029851 k( 229) = ( 0.3192763 0.0000000 -0.3192763), wk = 0.0029851 k( 230) = ( 0.3245104 0.0000000 -0.3245104), wk = 0.0029851 k( 231) = ( 0.3297444 0.0000000 -0.3297444), wk = 0.0029851 k( 232) = ( 0.3349784 0.0000000 -0.3349784), wk = 0.0029851 k( 233) = ( 0.6650216 0.3349784 -0.0000000), wk = 0.0029851 k( 234) = ( 0.6598646 0.3401354 0.0000000), wk = 0.0029851 k( 235) = ( 0.6547077 0.3452923 -0.0000000), wk = 0.0029851 k( 236) = ( 0.6495508 0.3504492 -0.0000000), wk = 0.0029851 k( 237) = ( 0.6443939 0.3556061 -0.0000000), wk = 0.0029851 k( 238) = ( 0.6392369 0.3607631 -0.0000000), wk = 0.0029851 k( 239) = ( 0.6340800 0.3659200 -0.0000000), wk = 0.0029851 k( 240) = ( 0.6289231 0.3710769 -0.0000000), wk = 0.0029851 k( 241) = ( 0.6237662 0.3762338 0.0000000), wk = 0.0029851 k( 242) = ( 0.6186092 0.3813908 0.0000000), wk = 0.0029851 k( 243) = ( 0.6134523 0.3865477 0.0000000), wk = 0.0029851 k( 244) = ( 0.6082954 0.3917046 0.0000000), wk = 0.0029851 k( 245) = ( 0.6031385 0.3968615 0.0000000), wk = 0.0029851 k( 246) = ( 0.5979815 0.4020185 0.0000000), wk = 0.0029851 k( 247) = ( 0.5928246 0.4071754 0.0000000), wk = 0.0029851 k( 248) = ( 0.5876677 0.4123323 0.0000000), wk = 0.0029851 k( 249) = ( 0.5825108 0.4174892 0.0000000), wk = 0.0029851 k( 250) = ( 0.5773538 0.4226462 0.0000000), wk = 0.0029851 k( 251) = ( 0.5721969 0.4278031 0.0000000), wk = 0.0029851 k( 252) = ( 0.5670400 0.4329600 -0.0000000), wk = 0.0029851 k( 253) = ( 0.5618831 0.4381169 0.0000000), wk = 0.0029851 k( 254) = ( 0.5567262 0.4432738 0.0000000), wk = 0.0029851 k( 255) = ( 0.5515692 0.4484308 0.0000000), wk = 0.0029851 k( 256) = ( 0.5464123 0.4535877 0.0000000), wk = 0.0029851 k( 257) = ( 0.5412554 0.4587446 0.0000000), wk = 0.0029851 k( 258) = ( 0.5360985 0.4639015 0.0000000), wk = 0.0029851 k( 259) = ( 0.5309415 0.4690585 0.0000000), wk = 0.0029851 k( 260) = ( 0.5257846 0.4742154 0.0000000), wk = 0.0029851 k( 261) = ( 0.5206277 0.4793723 -0.0000000), wk = 0.0029851 k( 262) = ( 0.5154708 0.4845292 0.0000000), wk = 0.0029851 k( 263) = ( 0.5103138 0.4896862 0.0000000), wk = 0.0029851 k( 264) = ( 0.5051569 0.4948431 0.0000000), wk = 0.0029851 k( 265) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029851 k( 266) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029851 k( 267) = ( 0.5412554 0.5412554 0.0424892), wk = 0.0029851 k( 268) = ( 0.5825108 0.5825108 0.0849784), wk = 0.0029851 k( 269) = ( 0.6237662 0.6237662 0.1274677), wk = 0.0029851 k( 270) = ( 0.6650216 0.6650216 0.1699569), wk = 0.0029851 k( 271) = ( 0.6650216 0.6650216 0.1699569), wk = 0.0029851 k( 272) = ( 0.6620212 0.6620212 0.1759577), wk = 0.0029851 k( 273) = ( 0.6590208 0.6590208 0.1819584), wk = 0.0029851 k( 274) = ( 0.6560204 0.6560204 0.1879592), wk = 0.0029851 k( 275) = ( 0.6530200 0.6530200 0.1939600), wk = 0.0029851 k( 276) = ( 0.6500196 0.6500196 0.1999608), wk = 0.0029851 k( 277) = ( 0.6470192 0.6470192 0.2059616), wk = 0.0029851 k( 278) = ( 0.6440188 0.6440188 0.2119624), wk = 0.0029851 k( 279) = ( 0.6410184 0.6410184 0.2179632), wk = 0.0029851 k( 280) = ( 0.6380180 0.6380180 0.2239639), wk = 0.0029851 k( 281) = ( 0.6350176 0.6350176 0.2299647), wk = 0.0029851 k( 282) = ( 0.6320172 0.6320173 0.2359655), wk = 0.0029851 k( 283) = ( 0.6290168 0.6290169 0.2419663), wk = 0.0029851 k( 284) = ( 0.6260165 0.6260165 0.2479671), wk = 0.0029851 k( 285) = ( 0.6230161 0.6230161 0.2539679), wk = 0.0029851 k( 286) = ( 0.6200157 0.6200157 0.2599686), wk = 0.0029851 k( 287) = ( 0.6170153 0.6170153 0.2659694), wk = 0.0029851 k( 288) = ( 0.6140149 0.6140149 0.2719702), wk = 0.0029851 k( 289) = ( 0.6110145 0.6110145 0.2779710), wk = 0.0029851 k( 290) = ( 0.6080141 0.6080141 0.2839718), wk = 0.0029851 k( 291) = ( 0.6050137 0.6050137 0.2899726), wk = 0.0029851 k( 292) = ( 0.6020133 0.6020133 0.2959734), wk = 0.0029851 k( 293) = ( 0.5990129 0.5990129 0.3019741), wk = 0.0029851 k( 294) = ( 0.5960125 0.5960125 0.3079749), wk = 0.0029851 k( 295) = ( 0.5930121 0.5930122 0.3139757), wk = 0.0029851 k( 296) = ( 0.5900118 0.5900118 0.3199765), wk = 0.0029851 k( 297) = ( 0.5870114 0.5870114 0.3259773), wk = 0.0029851 k( 298) = ( 0.5840110 0.5840110 0.3319780), wk = 0.0029851 k( 299) = ( 0.5810106 0.5810106 0.3379788), wk = 0.0029851 k( 300) = ( 0.5780102 0.5780102 0.3439796), wk = 0.0029851 k( 301) = ( 0.5750098 0.5750098 0.3499804), wk = 0.0029851 k( 302) = ( 0.5720094 0.5720094 0.3559812), wk = 0.0029851 k( 303) = ( 0.5690090 0.5690090 0.3619820), wk = 0.0029851 k( 304) = ( 0.5660086 0.5660086 0.3679828), wk = 0.0029851 k( 305) = ( 0.5630082 0.5630082 0.3739835), wk = 0.0029851 k( 306) = ( 0.5600078 0.5600078 0.3799843), wk = 0.0029851 k( 307) = ( 0.5570074 0.5570075 0.3859851), wk = 0.0029851 k( 308) = ( 0.5540070 0.5540071 0.3919859), wk = 0.0029851 k( 309) = ( 0.5510067 0.5510067 0.3979867), wk = 0.0029851 k( 310) = ( 0.5480063 0.5480063 0.4039875), wk = 0.0029851 k( 311) = ( 0.5450059 0.5450059 0.4099882), wk = 0.0029851 k( 312) = ( 0.5420055 0.5420055 0.4159890), wk = 0.0029851 k( 313) = ( 0.5390051 0.5390051 0.4219898), wk = 0.0029851 k( 314) = ( 0.5360047 0.5360047 0.4279906), wk = 0.0029851 k( 315) = ( 0.5330043 0.5330043 0.4339914), wk = 0.0029851 k( 316) = ( 0.5300039 0.5300039 0.4399922), wk = 0.0029851 k( 317) = ( 0.5270035 0.5270035 0.4459929), wk = 0.0029851 k( 318) = ( 0.5240031 0.5240031 0.4519937), wk = 0.0029851 k( 319) = ( 0.5210027 0.5210027 0.4579945), wk = 0.0029851 k( 320) = ( 0.5180023 0.5180024 0.4639953), wk = 0.0029851 k( 321) = ( 0.5150020 0.5150020 0.4699961), wk = 0.0029851 k( 322) = ( 0.5120016 0.5120016 0.4759969), wk = 0.0029851 k( 323) = ( 0.5090012 0.5090012 0.4819977), wk = 0.0029851 k( 324) = ( 0.5060008 0.5060008 0.4879984), wk = 0.0029851 k( 325) = ( 0.5030004 0.5030004 0.4939992), wk = 0.0029851 k( 326) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 327) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029851 k( 328) = ( 0.5412554 0.0418723 0.0418723), wk = 0.0029851 k( 329) = ( 0.5825108 0.0837446 0.0837446), wk = 0.0029851 k( 330) = ( 0.6237662 0.1256169 0.1256169), wk = 0.0029851 k( 331) = ( 0.6650216 0.1674892 0.1674892), wk = 0.0029851 k( 332) = ( 0.7062770 0.2093615 0.2093615), wk = 0.0029851 k( 333) = ( 0.7475323 0.2512338 0.2512338), wk = 0.0029851 k( 334) = ( 0.7887877 0.2931061 0.2931061), wk = 0.0029851 k( 335) = ( 0.8300431 0.3349784 0.3349784), wk = 0.0029851 Dense grid: 87767 G-vectors FFT dimensions: ( 150, 150, 150) Smooth grid: 42033 G-vectors FFT dimensions: ( 120, 120, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 222, 48) NL pseudopotentials 0.40 Mb ( 111, 238) Each V/rho on FFT grid 1.37 Mb ( 90000) Each G-vector array 0.01 Mb ( 1830) G-vector shells 0.01 Mb ( 1599) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 222, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.35 Mb ( 238, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Zr2Al4C5.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 68.1 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.7 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.1 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.4 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.6 secs Computing kpt #: 6 total cpu time spent up to now is 195.3 secs Computing kpt #: 7 total cpu time spent up to now is 215.1 secs Computing kpt #: 8 total cpu time spent up to now is 233.4 secs Computing kpt #: 9 total cpu time spent up to now is 250.1 secs Computing kpt #: 10 total cpu time spent up to now is 266.6 secs Computing kpt #: 11 total cpu time spent up to now is 283.3 secs Computing kpt #: 12 total cpu time spent up to now is 299.7 secs Computing kpt #: 13 total cpu time spent up to now is 316.5 secs Computing kpt #: 14 total cpu time spent up to now is 332.9 secs Computing kpt #: 15 total cpu time spent up to now is 349.3 secs Computing kpt #: 16 total cpu time spent up to now is 365.7 secs Computing kpt #: 17 total cpu time spent up to now is 381.9 secs Computing kpt #: 18 total cpu time spent up to now is 397.9 secs Computing kpt #: 19 total cpu time spent up to now is 414.0 secs Computing kpt #: 20 total cpu time spent up to now is 429.8 secs Computing kpt #: 21 total cpu time spent up to now is 445.7 secs Computing kpt #: 22 total cpu time spent up to now is 461.5 secs Computing kpt #: 23 total cpu time spent up to now is 479.7 secs Computing kpt #: 24 total cpu time spent up to now is 495.4 secs Computing kpt #: 25 total cpu time spent up to now is 511.0 secs Computing kpt #: 26 total cpu time spent up to now is 526.6 secs Computing kpt #: 27 total cpu time spent up to now is 542.2 secs Computing kpt #: 28 total cpu time spent up to now is 557.7 secs Computing kpt #: 29 total cpu time spent up to now is 573.2 secs Computing kpt #: 30 total cpu time spent up to now is 588.7 secs Computing kpt #: 31 total cpu time spent up to now is 604.4 secs Computing kpt #: 32 total cpu time spent up to now is 619.8 secs Computing kpt #: 33 total cpu time spent up to now is 635.4 secs Computing kpt #: 34 total cpu time spent up to now is 652.4 secs Computing kpt #: 35 total cpu time spent up to now is 669.5 secs Computing kpt #: 36 total cpu time spent up to now is 686.4 secs Computing kpt #: 37 total cpu time spent up to now is 703.4 secs Computing kpt #: 38 total cpu time spent up to now is 720.3 secs Computing kpt #: 39 total cpu time spent up to now is 737.2 secs Computing kpt #: 40 total cpu time spent up to now is 754.2 secs Computing kpt #: 41 total cpu time spent up to now is 773.3 secs Computing kpt #: 42 total cpu time spent up to now is 791.0 secs Computing kpt #: 43 total cpu time spent up to now is 810.3 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 834.5 secs Computing kpt #: 45 total cpu time spent up to now is 855.9 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 880.1 secs Computing kpt #: 47 total cpu time spent up to now is 903.8 secs Computing kpt #: 48 total cpu time spent up to now is 925.4 secs Computing kpt #: 49 total cpu time spent up to now is 947.1 secs Computing kpt #: 50 total cpu time spent up to now is 967.0 secs Computing kpt #: 51 total cpu time spent up to now is 986.9 secs Computing kpt #: 52 total cpu time spent up to now is 1006.8 secs Computing kpt #: 53 total cpu time spent up to now is 1026.6 secs Computing kpt #: 54 total cpu time spent up to now is 1046.4 secs Computing kpt #: 55 total cpu time spent up to now is 1066.1 secs Computing kpt #: 56 total cpu time spent up to now is 1086.7 secs Computing kpt #: 57 total cpu time spent up to now is 1105.9 secs Computing kpt #: 58 total cpu time spent up to now is 1125.1 secs Computing kpt #: 59 total cpu time spent up to now is 1144.4 secs Computing kpt #: 60 total cpu time spent up to now is 1161.9 secs Computing kpt #: 61 total cpu time spent up to now is 1179.4 secs Computing kpt #: 62 total cpu time spent up to now is 1196.9 secs Computing kpt #: 63 total cpu time spent up to now is 1214.4 secs Computing kpt #: 64 total cpu time spent up to now is 1231.6 secs Computing kpt #: 65 total cpu time spent up to now is 1248.9 secs Computing kpt #: 66 total cpu time spent up to now is 1266.0 secs Computing kpt #: 67 total cpu time spent up to now is 1282.9 secs Computing kpt #: 68 total cpu time spent up to now is 1299.9 secs Computing kpt #: 69 total cpu time spent up to now is 1317.4 secs Computing kpt #: 70 total cpu time spent up to now is 1334.3 secs Computing kpt #: 71 total cpu time spent up to now is 1351.5 secs Computing kpt #: 72 total cpu time spent up to now is 1369.4 secs Computing kpt #: 73 total cpu time spent up to now is 1388.6 secs Computing kpt #: 74 total cpu time spent up to now is 1405.7 secs Computing kpt #: 75 total cpu time spent up to now is 1422.6 secs Computing kpt #: 76 total cpu time spent up to now is 1439.5 secs Computing kpt #: 77 total cpu time spent up to now is 1456.5 secs Computing kpt #: 78 total cpu time spent up to now is 1473.2 secs Computing kpt #: 79 total cpu time spent up to now is 1489.9 secs Computing kpt #: 80 total cpu time spent up to now is 1506.8 secs Computing kpt #: 81 total cpu time spent up to now is 1523.2 secs Computing kpt #: 82 total cpu time spent up to now is 1539.8 secs Computing kpt #: 83 total cpu time spent up to now is 1556.3 secs Computing kpt #: 84 total cpu time spent up to now is 1573.2 secs Computing kpt #: 85 total cpu time spent up to now is 1590.4 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1613.9 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1637.7 secs Computing kpt #: 88 total cpu time spent up to now is 1659.3 secs Computing kpt #: 89 total cpu time spent up to now is 1682.0 secs Computing kpt #: 90 total cpu time spent up to now is 1701.6 secs Computing kpt #: 91 total cpu time spent up to now is 1722.7 secs Computing kpt #: 92 total cpu time spent up to now is 1743.7 secs Computing kpt #: 93 total cpu time spent up to now is 1764.8 secs Computing kpt #: 94 total cpu time spent up to now is 1786.2 secs Computing kpt #: 95 total cpu time spent up to now is 1807.7 secs Computing kpt #: 96 total cpu time spent up to now is 1829.3 secs Computing kpt #: 97 total cpu time spent up to now is 1851.3 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1876.1 secs Computing kpt #: 99 total cpu time spent up to now is 1899.7 secs Computing kpt #: 100 total cpu time spent up to now is 1919.7 secs Computing kpt #: 101 total cpu time spent up to now is 1938.5 secs Computing kpt #: 102 total cpu time spent up to now is 1955.3 secs Computing kpt #: 103 total cpu time spent up to now is 1973.0 secs Computing kpt #: 104 total cpu time spent up to now is 1989.2 secs Computing kpt #: 105 total cpu time spent up to now is 2005.4 secs Computing kpt #: 106 total cpu time spent up to now is 2021.5 secs Computing kpt #: 107 total cpu time spent up to now is 2036.3 secs Computing kpt #: 108 total cpu time spent up to now is 2051.0 secs Computing kpt #: 109 total cpu time spent up to now is 2067.1 secs Computing kpt #: 110 total cpu time spent up to now is 2083.1 secs Computing kpt #: 111 total cpu time spent up to now is 2099.4 secs Computing kpt #: 112 total cpu time spent up to now is 2114.6 secs Computing kpt #: 113 total cpu time spent up to now is 2130.9 secs Computing kpt #: 114 total cpu time spent up to now is 2147.4 secs Computing kpt #: 115 total cpu time spent up to now is 2164.0 secs Computing kpt #: 116 total cpu time spent up to now is 2180.7 secs Computing kpt #: 117 total cpu time spent up to now is 2197.5 secs Computing kpt #: 118 total cpu time spent up to now is 2214.4 secs Computing kpt #: 119 total cpu time spent up to now is 2231.2 secs Computing kpt #: 120 total cpu time spent up to now is 2248.2 secs Computing kpt #: 121 total cpu time spent up to now is 2265.4 secs Computing kpt #: 122 total cpu time spent up to now is 2285.1 secs Computing kpt #: 123 total cpu time spent up to now is 2302.1 secs Computing kpt #: 124 total cpu time spent up to now is 2319.4 secs Computing kpt #: 125 total cpu time spent up to now is 2336.9 secs Computing kpt #: 126 total cpu time spent up to now is 2354.4 secs Computing kpt #: 127 total cpu time spent up to now is 2372.3 secs Computing kpt #: 128 total cpu time spent up to now is 2390.3 secs Computing kpt #: 129 total cpu time spent up to now is 2408.0 secs Computing kpt #: 130 total cpu time spent up to now is 2425.6 secs Computing kpt #: 131 total cpu time spent up to now is 2441.6 secs Computing kpt #: 132 total cpu time spent up to now is 2457.7 secs Computing kpt #: 133 total cpu time spent up to now is 2473.8 secs Computing kpt #: 134 total cpu time spent up to now is 2489.8 secs Computing kpt #: 135 total cpu time spent up to now is 2506.0 secs Computing kpt #: 136 total cpu time spent up to now is 2522.1 secs Computing kpt #: 137 total cpu time spent up to now is 2538.4 secs Computing kpt #: 138 total cpu time spent up to now is 2554.7 secs Computing kpt #: 139 total cpu time spent up to now is 2572.6 secs Computing kpt #: 140 total cpu time spent up to now is 2589.8 secs Computing kpt #: 141 total cpu time spent up to now is 2606.3 secs Computing kpt #: 142 total cpu time spent up to now is 2622.8 secs Computing kpt #: 143 total cpu time spent up to now is 2639.2 secs Computing kpt #: 144 total cpu time spent up to now is 2657.2 secs Computing kpt #: 145 total cpu time spent up to now is 2675.1 secs Computing kpt #: 146 total cpu time spent up to now is 2691.6 secs Computing kpt #: 147 total cpu time spent up to now is 2710.0 secs Computing kpt #: 148 total cpu time spent up to now is 2728.1 secs Computing kpt #: 149 total cpu time spent up to now is 2749.0 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2774.2 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2799.4 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2824.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2849.8 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2876.0 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2901.1 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2926.2 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2951.3 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2976.4 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3001.8 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3027.1 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3052.3 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3077.4 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3102.5 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3127.6 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3152.9 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3179.2 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3204.2 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3229.4 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3254.7 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3280.1 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3305.6 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3330.9 secs Computing kpt #: 173 total cpu time spent up to now is 3351.6 secs Computing kpt #: 174 total cpu time spent up to now is 3369.7 secs Computing kpt #: 175 total cpu time spent up to now is 3387.9 secs Computing kpt #: 176 total cpu time spent up to now is 3406.4 secs Computing kpt #: 177 total cpu time spent up to now is 3423.0 secs Computing kpt #: 178 total cpu time spent up to now is 3440.8 secs Computing kpt #: 179 total cpu time spent up to now is 3457.5 secs Computing kpt #: 180 total cpu time spent up to now is 3475.2 secs Computing kpt #: 181 total cpu time spent up to now is 3491.5 secs Computing kpt #: 182 total cpu time spent up to now is 3508.0 secs Computing kpt #: 183 total cpu time spent up to now is 3524.4 secs Computing kpt #: 184 total cpu time spent up to now is 3540.7 secs Computing kpt #: 185 total cpu time spent up to now is 3557.0 secs Computing kpt #: 186 total cpu time spent up to now is 3573.2 secs Computing kpt #: 187 total cpu time spent up to now is 3589.7 secs Computing kpt #: 188 total cpu time spent up to now is 3606.1 secs Computing kpt #: 189 total cpu time spent up to now is 3622.2 secs Computing kpt #: 190 total cpu time spent up to now is 3638.2 secs Computing kpt #: 191 total cpu time spent up to now is 3655.5 secs Computing kpt #: 192 total cpu time spent up to now is 3672.8 secs Computing kpt #: 193 total cpu time spent up to now is 3690.2 secs Computing kpt #: 194 total cpu time spent up to now is 3708.0 secs Computing kpt #: 195 total cpu time spent up to now is 3725.3 secs Computing kpt #: 196 total cpu time spent up to now is 3742.8 secs Computing kpt #: 197 total cpu time spent up to now is 3760.5 secs Computing kpt #: 198 total cpu time spent up to now is 3780.5 secs Computing kpt #: 199 total cpu time spent up to now is 3797.9 secs Computing kpt #: 200 total cpu time spent up to now is 3816.8 secs Computing kpt #: 201 total cpu time spent up to now is 3833.7 secs Computing kpt #: 202 total cpu time spent up to now is 3851.0 secs Computing kpt #: 203 total cpu time spent up to now is 3868.0 secs Computing kpt #: 204 total cpu time spent up to now is 3885.1 secs Computing kpt #: 205 total cpu time spent up to now is 3902.4 secs Computing kpt #: 206 total cpu time spent up to now is 3919.2 secs Computing kpt #: 207 total cpu time spent up to now is 3936.0 secs Computing kpt #: 208 total cpu time spent up to now is 3952.8 secs Computing kpt #: 209 total cpu time spent up to now is 3969.5 secs Computing kpt #: 210 total cpu time spent up to now is 3986.0 secs Computing kpt #: 211 total cpu time spent up to now is 4002.8 secs Computing kpt #: 212 total cpu time spent up to now is 4019.5 secs Computing kpt #: 213 total cpu time spent up to now is 4036.2 secs Computing kpt #: 214 total cpu time spent up to now is 4052.9 secs Computing kpt #: 215 total cpu time spent up to now is 4070.2 secs Computing kpt #: 216 total cpu time spent up to now is 4087.1 secs Computing kpt #: 217 total cpu time spent up to now is 4103.6 secs Computing kpt #: 218 total cpu time spent up to now is 4120.2 secs Computing kpt #: 219 total cpu time spent up to now is 4137.0 secs Computing kpt #: 220 total cpu time spent up to now is 4155.8 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4179.6 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4204.2 secs Computing kpt #: 223 total cpu time spent up to now is 4225.8 secs Computing kpt #: 224 total cpu time spent up to now is 4245.5 secs Computing kpt #: 225 total cpu time spent up to now is 4266.7 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4290.4 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4314.0 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4337.8 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4361.4 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4386.2 secs Computing kpt #: 231 total cpu time spent up to now is 4407.7 secs Computing kpt #: 232 total cpu time spent up to now is 4428.4 secs Computing kpt #: 233 total cpu time spent up to now is 4449.8 secs Computing kpt #: 234 total cpu time spent up to now is 4468.5 secs Computing kpt #: 235 total cpu time spent up to now is 4489.6 secs Computing kpt #: 236 total cpu time spent up to now is 4509.0 secs Computing kpt #: 237 total cpu time spent up to now is 4529.9 secs Computing kpt #: 238 total cpu time spent up to now is 4550.9 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4574.5 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4598.2 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4622.0 secs Computing kpt #: 242 total cpu time spent up to now is 4645.6 secs Computing kpt #: 243 total cpu time spent up to now is 4670.4 secs Computing kpt #: 244 total cpu time spent up to now is 4694.2 secs Computing kpt #: 245 total cpu time spent up to now is 4717.5 secs Computing kpt #: 246 total cpu time spent up to now is 4740.8 secs Computing kpt #: 247 total cpu time spent up to now is 4762.6 secs Computing kpt #: 248 total cpu time spent up to now is 4784.2 secs Computing kpt #: 249 total cpu time spent up to now is 4806.2 secs Computing kpt #: 250 total cpu time spent up to now is 4827.8 secs Computing kpt #: 251 total cpu time spent up to now is 4849.2 secs Computing kpt #: 252 total cpu time spent up to now is 4870.5 secs Computing kpt #: 253 total cpu time spent up to now is 4891.8 secs Computing kpt #: 254 total cpu time spent up to now is 4915.3 secs Computing kpt #: 255 total cpu time spent up to now is 4938.2 secs Computing kpt #: 256 total cpu time spent up to now is 4961.2 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4986.1 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5010.2 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5034.3 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5058.4 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5082.6 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5107.2 secs Computing kpt #: 263 total cpu time spent up to now is 5131.1 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5155.3 secs Computing kpt #: 265 total cpu time spent up to now is 5176.2 secs Computing kpt #: 266 total cpu time spent up to now is 5199.8 secs Computing kpt #: 267 total cpu time spent up to now is 5223.7 secs Computing kpt #: 268 total cpu time spent up to now is 5247.2 secs Computing kpt #: 269 total cpu time spent up to now is 5272.6 secs Computing kpt #: 270 total cpu time spent up to now is 5295.3 secs Computing kpt #: 271 total cpu time spent up to now is 5317.6 secs Computing kpt #: 272 total cpu time spent up to now is 5341.0 secs Computing kpt #: 273 total cpu time spent up to now is 5362.2 secs Computing kpt #: 274 total cpu time spent up to now is 5384.0 secs Computing kpt #: 275 total cpu time spent up to now is 5407.8 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5431.9 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5456.0 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5480.0 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5504.1 secs Computing kpt #: 280 total cpu time spent up to now is 5527.0 secs Computing kpt #: 281 total cpu time spent up to now is 5546.6 secs Computing kpt #: 282 total cpu time spent up to now is 5563.8 secs Computing kpt #: 283 total cpu time spent up to now is 5582.0 secs Computing kpt #: 284 total cpu time spent up to now is 5598.9 secs Computing kpt #: 285 total cpu time spent up to now is 5615.7 secs Computing kpt #: 286 total cpu time spent up to now is 5631.1 secs Computing kpt #: 287 total cpu time spent up to now is 5646.4 secs Computing kpt #: 288 total cpu time spent up to now is 5661.7 secs Computing kpt #: 289 total cpu time spent up to now is 5677.0 secs Computing kpt #: 290 total cpu time spent up to now is 5692.2 secs Computing kpt #: 291 total cpu time spent up to now is 5707.6 secs Computing kpt #: 292 total cpu time spent up to now is 5722.8 secs Computing kpt #: 293 total cpu time spent up to now is 5738.0 secs Computing kpt #: 294 total cpu time spent up to now is 5753.1 secs Computing kpt #: 295 total cpu time spent up to now is 5768.2 secs Computing kpt #: 296 total cpu time spent up to now is 5783.5 secs Computing kpt #: 297 total cpu time spent up to now is 5798.7 secs Computing kpt #: 298 total cpu time spent up to now is 5814.1 secs Computing kpt #: 299 total cpu time spent up to now is 5829.3 secs Computing kpt #: 300 total cpu time spent up to now is 5844.6 secs Computing kpt #: 301 total cpu time spent up to now is 5860.1 secs Computing kpt #: 302 total cpu time spent up to now is 5876.8 secs Computing kpt #: 303 total cpu time spent up to now is 5892.3 secs Computing kpt #: 304 total cpu time spent up to now is 5907.9 secs Computing kpt #: 305 total cpu time spent up to now is 5923.6 secs Computing kpt #: 306 total cpu time spent up to now is 5939.5 secs Computing kpt #: 307 total cpu time spent up to now is 5955.4 secs Computing kpt #: 308 total cpu time spent up to now is 5971.5 secs Computing kpt #: 309 total cpu time spent up to now is 5987.8 secs Computing kpt #: 310 total cpu time spent up to now is 6004.4 secs Computing kpt #: 311 total cpu time spent up to now is 6020.6 secs Computing kpt #: 312 total cpu time spent up to now is 6037.0 secs Computing kpt #: 313 total cpu time spent up to now is 6053.4 secs Computing kpt #: 314 total cpu time spent up to now is 6069.8 secs Computing kpt #: 315 total cpu time spent up to now is 6088.0 secs Computing kpt #: 316 total cpu time spent up to now is 6104.4 secs Computing kpt #: 317 total cpu time spent up to now is 6121.0 secs Computing kpt #: 318 total cpu time spent up to now is 6138.9 secs Computing kpt #: 319 total cpu time spent up to now is 6155.6 secs Computing kpt #: 320 total cpu time spent up to now is 6174.9 secs Computing kpt #: 321 total cpu time spent up to now is 6199.7 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6224.9 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6250.2 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6275.5 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6300.7 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 6326.3 secs Computing kpt #: 327 total cpu time spent up to now is 6345.7 secs Computing kpt #: 328 total cpu time spent up to now is 6365.2 secs Computing kpt #: 329 total cpu time spent up to now is 6385.0 secs Computing kpt #: 330 total cpu time spent up to now is 6404.8 secs Computing kpt #: 331 total cpu time spent up to now is 6424.8 secs Computing kpt #: 332 total cpu time spent up to now is 6446.2 secs Computing kpt #: 333 total cpu time spent up to now is 6467.9 secs Computing kpt #: 334 total cpu time spent up to now is 6491.8 secs Computing kpt #: 335 total cpu time spent up to now is 6515.2 secs ethr = 2.50E-11, avg # of iterations = 67.4 total cpu time spent up to now is 6515.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5225 PWs) bands (ev): -4.3243 -4.3243 -3.3718 -3.3718 -3.1328 -3.1328 -1.6416 -1.6416 -1.2519 -1.2519 2.9742 2.9742 3.5429 3.5429 6.0608 6.0608 6.0792 6.0792 6.4396 6.4396 6.6065 6.6065 7.4176 7.4176 7.4284 7.4284 8.0793 8.0793 8.0884 8.0884 8.9372 8.9372 8.9553 8.9553 9.2836 9.2836 9.2957 9.2957 9.3663 9.3663 10.1048 10.1048 10.1050 10.1050 10.4198 10.4198 11.6858 11.6861 k = 0.0091-0.0369-0.0215 ( 5226 PWs) bands (ev): -4.3232 -4.3231 -3.3709 -3.3706 -3.1315 -3.1314 -1.6408 -1.6407 -1.2517 -1.2513 2.9745 2.9747 3.5446 3.5447 6.0584 6.0584 6.0775 6.0776 6.4404 6.4404 6.6075 6.6076 7.4148 7.4149 7.4262 7.4264 8.0762 8.0764 8.0858 8.0858 8.9271 8.9288 8.9473 8.9474 9.2772 9.2795 9.2910 9.2912 9.3642 9.3685 10.1080 10.1084 10.1118 10.1122 10.4211 10.4228 11.6861 11.6885 k = 0.0182-0.0738-0.0430 ( 5228 PWs) bands (ev): -4.3198 -4.3195 -3.3678 -3.3673 -3.1275 -3.1274 -1.6384 -1.6383 -1.2509 -1.2500 2.9757 2.9761 3.5498 3.5500 6.0483 6.0484 6.0762 6.0763 6.4418 6.4418 6.6110 6.6112 7.4039 7.4043 7.4226 7.4227 8.0657 8.0662 8.0797 8.0799 8.8947 8.8977 8.9284 8.9286 9.2588 9.2617 9.2814 9.2816 9.3621 9.3689 10.1174 10.1184 10.1308 10.1316 10.4271 10.4307 11.6822 11.6825 k = 0.0273-0.1107-0.0645 ( 5224 PWs) bands (ev): -4.3140 -4.3136 -3.3626 -3.3618 -3.1208 -3.1207 -1.6343 -1.6342 -1.2493 -1.2480 2.9778 2.9784 3.5585 3.5587 6.0289 6.0291 6.0781 6.0782 6.4415 6.4416 6.6176 6.6179 7.3835 7.3842 7.4191 7.4192 8.0465 8.0474 8.0718 8.0721 8.8397 8.8432 8.9020 8.9023 9.2288 9.2310 9.2698 9.2701 9.3578 9.3655 10.1287 10.1310 10.1605 10.1620 10.4391 10.4449 11.6744 11.6759 k = 0.0364-0.1476-0.0860 ( 5218 PWs) bands (ev): -4.3059 -4.3053 -3.3553 -3.3543 -3.1115 -3.1114 -1.6287 -1.6285 -1.2470 -1.2453 2.9808 2.9816 3.5706 3.5710 6.0029 6.0031 6.0823 6.0824 6.4368 6.4369 6.6279 6.6283 7.3549 7.3560 7.4151 7.4152 8.0198 8.0210 8.0615 8.0619 8.7661 8.7698 8.8676 8.8682 9.1893 9.1907 9.2564 9.2570 9.3496 9.3574 10.1371 10.1412 10.1989 10.2011 10.4585 10.4669 11.6658 11.6673 k = 0.0455-0.1845-0.1076 ( 5210 PWs) bands (ev): -4.2954 -4.2947 -3.3458 -3.3446 -3.0995 -3.0994 -1.6214 -1.6212 -1.2440 -1.2419 2.9847 2.9857 3.5861 3.5866 5.9724 5.9726 6.0882 6.0884 6.4259 6.4262 6.6415 6.6419 7.3194 7.3207 7.4101 7.4103 7.9864 7.9880 8.0487 8.0493 8.6777 8.6814 8.8260 8.8269 9.1416 9.1424 9.2419 9.2426 9.3367 9.3440 10.1390 10.1450 10.2437 10.2465 10.4866 10.4976 11.6560 11.6574 k = 0.0545-0.2214-0.1291 ( 5204 PWs) bands (ev): -4.2827 -4.2817 -3.3343 -3.3328 -3.0849 -3.0848 -1.6127 -1.6124 -1.2404 -1.2378 2.9895 2.9907 3.6050 3.6056 5.9390 5.9391 6.0956 6.0957 6.4081 6.4084 6.6570 6.6573 7.2779 7.2795 7.4039 7.4042 7.9476 7.9495 8.0333 8.0340 8.5774 8.5811 8.7786 8.7798 9.0866 9.0869 9.2268 9.2276 9.3185 9.3251 10.1326 10.1402 10.2929 10.2963 10.5230 10.5362 11.6457 11.6470 k = 0.0636-0.2583-0.1506 ( 5200 PWs) bands (ev): -4.2675 -4.2665 -3.3206 -3.3189 -3.0677 -3.0676 -1.6023 -1.6021 -1.2360 -1.2331 2.9953 2.9966 3.6272 3.6280 5.9036 5.9037 6.1042 6.1044 6.3833 6.3836 6.6726 6.6728 7.2316 7.2336 7.3966 7.3969 7.9043 7.9068 8.0153 8.0161 8.4679 8.4716 8.7270 8.7283 9.0249 9.0250 9.2112 9.2119 9.2947 9.3004 10.1177 10.1267 10.3448 10.3487 10.5662 10.5812 11.6357 11.6368 k = 0.0727-0.2952-0.1721 ( 5206 PWs) bands (ev): -4.2501 -4.2489 -3.3048 -3.3028 -3.0480 -3.0479 -1.5906 -1.5902 -1.2310 -1.2277 3.0020 3.0035 3.6525 3.6535 5.8671 5.8672 6.1140 6.1142 6.3514 6.3517 6.6858 6.6859 7.1819 7.1842 7.3879 7.3882 7.8581 7.8611 7.9947 7.9956 8.3511 8.3548 8.6726 8.6739 8.9572 8.9572 9.1950 9.1958 9.2650 9.2699 10.0954 10.1053 10.3979 10.4024 10.6143 10.6307 11.6262 11.6271 k = 0.0818-0.3321-0.1936 ( 5209 PWs) bands (ev): -4.2304 -4.2291 -3.2869 -3.2848 -3.0256 -3.0256 -1.5774 -1.5770 -1.2253 -1.2216 3.0097 3.0113 3.6810 3.6822 5.8301 5.8301 6.1247 6.1249 6.3126 6.3129 6.6936 6.6942 7.1305 7.1333 7.3778 7.3781 7.8101 7.8139 7.9715 7.9726 8.2288 8.2327 8.6167 8.6180 8.8841 8.8842 9.1783 9.1789 9.2294 9.2334 10.0666 10.0772 10.4513 10.4563 10.6658 10.6833 11.6175 11.6183 k = 0.0909-0.3690-0.2151 ( 5206 PWs) bands (ev): -4.2085 -4.2070 -3.2670 -3.2646 -3.0008 -3.0007 -1.5628 -1.5624 -1.2190 -1.2149 3.0185 3.0201 3.7126 3.7139 5.7929 5.7930 6.1363 6.1366 6.2670 6.2672 6.6931 6.6943 7.0795 7.0830 7.3661 7.3665 7.7619 7.7664 7.9459 7.9471 8.1027 8.1070 8.5603 8.5616 8.8064 8.8066 9.1608 9.1613 9.1879 9.1909 10.0325 10.0435 10.5044 10.5098 10.7195 10.7378 11.6096 11.6102 k = 0.1000-0.4059-0.2366 ( 5212 PWs) bands (ev): -4.1842 -4.1826 -3.2450 -3.2424 -2.9735 -2.9735 -1.5469 -1.5464 -1.2120 -1.2076 3.0282 3.0300 3.7470 3.7486 5.7561 5.7561 6.1486 6.1490 6.2148 6.2148 6.6804 6.6825 7.0316 7.0359 7.3529 7.3533 7.7143 7.7199 7.9178 7.9192 7.9745 7.9796 8.5045 8.5058 8.7248 8.7250 9.1380 9.1403 9.1449 9.1454 9.9941 10.0053 10.5566 10.5625 10.7744 10.7933 11.6023 11.6028 k = 0.1091-0.4428-0.2581 ( 5210 PWs) bands (ev): -4.1577 -4.1560 -3.2209 -3.2182 -2.9438 -2.9437 -1.5298 -1.5293 -1.2044 -1.1997 3.0390 3.0408 3.7842 3.7861 5.7197 5.7198 6.1539 6.1553 6.1626 6.1637 6.6518 6.6549 6.9891 6.9945 7.3381 7.3385 7.6671 7.6743 7.8470 7.8535 7.8875 7.8890 8.4500 8.4512 8.6400 8.6402 9.0865 9.0884 9.1238 9.1246 9.9523 9.9636 10.6078 10.6141 10.8302 10.8496 11.5953 11.5957 k = 0.1182-0.4797-0.2796 ( 5208 PWs) bands (ev): -4.1290 -4.1271 -3.1948 -3.1919 -2.9117 -2.9116 -1.5116 -1.5110 -1.1961 -1.1911 3.0509 3.0528 3.8240 3.8262 5.6840 5.6841 6.0907 6.0907 6.1753 6.1754 6.6059 6.6099 6.9523 6.9588 7.3216 7.3220 7.6153 7.6244 7.7280 7.7364 7.8548 7.8565 8.3974 8.3986 8.5527 8.5530 9.0283 9.0295 9.1039 9.1046 9.9079 9.9192 10.6581 10.6647 10.8864 10.9062 11.5882 11.5884 k = 0.1273-0.5165-0.3012 ( 5207 PWs) bands (ev): -4.0981 -4.0961 -3.1668 -3.1637 -2.8772 -2.8772 -1.4924 -1.4917 -1.1872 -1.1818 3.0639 3.0658 3.8662 3.8687 5.6492 5.6492 6.0199 6.0202 6.1887 6.1889 6.5438 6.5486 6.9181 6.9257 7.3035 7.3038 7.5386 7.5449 7.6455 7.6513 7.8200 7.8219 8.3472 8.3483 8.4639 8.4642 8.9653 8.9659 9.0832 9.0838 9.8616 9.8728 10.7076 10.7144 10.9429 10.9629 11.5805 11.5805 k = 0.1364-0.5534-0.3227 ( 5215 PWs) bands (ev): -4.0650 -4.0629 -3.1367 -3.1335 -2.8405 -2.8405 -1.4723 -1.4716 -1.1775 -1.1719 3.0780 3.0798 3.9107 3.9135 5.6151 5.6152 5.9439 5.9444 6.2021 6.2023 6.4687 6.4740 6.8814 6.8901 7.2837 7.2840 7.4316 7.4329 7.6049 7.6061 7.7834 7.7855 8.2998 8.3009 8.3744 8.3746 8.8982 8.8983 9.0616 9.0622 9.8138 9.8248 10.7565 10.7637 10.9996 11.0197 11.5716 11.5719 k = 0.1455-0.5903-0.3442 ( 5224 PWs) bands (ev): -4.0298 -4.0275 -3.1048 -3.1013 -2.8015 -2.8015 -1.4515 -1.4507 -1.1670 -1.1612 3.0931 3.0950 3.9571 3.9603 5.5817 5.5819 5.8633 5.8640 6.2152 6.2155 6.3839 6.3896 6.8363 6.8461 7.2621 7.2625 7.3181 7.3193 7.5787 7.5797 7.7453 7.7475 8.2551 8.2563 8.2851 8.2855 8.8273 8.8278 9.0394 9.0400 9.7649 9.7757 10.8054 10.8127 11.0564 11.0764 11.5613 11.5619 k = 0.1545-0.6272-0.3657 ( 5224 PWs) bands (ev): -3.9924 -3.9900 -3.0709 -3.0673 -2.7604 -2.7603 -1.4302 -1.4293 -1.1557 -1.1497 3.1095 3.1113 4.0051 4.0088 5.5489 5.5492 5.7789 5.7798 6.2273 6.2279 6.2923 6.2983 6.7772 6.7878 7.2103 7.2134 7.2402 7.2403 7.5595 7.5616 7.7061 7.7084 8.1965 8.1970 8.2147 8.2150 8.7540 8.7549 9.0165 9.0170 9.7152 9.7258 10.8546 10.8621 11.1131 11.1329 11.5492 11.5503 k = 0.1636-0.6641-0.3872 ( 5222 PWs) bands (ev): -3.9530 -3.9505 -3.0351 -3.0314 -2.7171 -2.7171 -1.4086 -1.4075 -1.1434 -1.1373 3.1269 3.1287 4.0544 4.0585 5.5161 5.5165 5.6914 5.6927 6.1934 6.2008 6.2408 6.2411 6.7001 6.7112 7.1173 7.1209 7.2154 7.2157 7.5445 7.5474 7.6662 7.6687 8.1120 8.1122 8.1756 8.1763 8.6790 8.6804 8.9931 8.9936 9.6650 9.6754 10.9044 10.9121 11.1697 11.1890 11.5352 11.5371 k = 0.1727-0.7010-0.4087 ( 5220 PWs) bands (ev): -3.9114 -3.9088 -2.9975 -2.9937 -2.6719 -2.6718 -1.3870 -1.3856 -1.1300 -1.1239 3.1454 3.1472 4.1045 4.1090 5.4820 5.4826 5.6022 5.6039 6.0946 6.1023 6.2510 6.2510 6.6049 6.6158 7.0376 7.0410 7.1898 7.1901 7.5310 7.5345 7.6261 7.6287 8.0316 8.0319 8.1397 8.1405 8.6035 8.6052 8.9692 8.9696 9.6143 9.6244 10.9554 10.9631 11.2260 11.2443 11.5193 11.5223 k = 0.1818-0.7379-0.4302 ( 5223 PWs) bands (ev): -3.8679 -3.8652 -2.9582 -2.9542 -2.6247 -2.6246 -1.3655 -1.3639 -1.1154 -1.1093 3.1651 3.1668 4.1547 4.1597 5.4424 5.4435 5.5151 5.5176 5.9946 6.0028 6.2601 6.2602 6.4950 6.5052 6.9681 6.9708 7.1631 7.1634 7.5156 7.5197 7.5864 7.5891 7.9580 7.9586 8.1065 8.1074 8.5284 8.5304 8.9449 8.9453 9.5632 9.5731 11.0078 11.0155 11.2814 11.2978 11.5016 11.5067 k = 0.1909-0.7748-0.4517 ( 5226 PWs) bands (ev): -3.8224 -3.8196 -2.9171 -2.9130 -2.5756 -2.5755 -1.3445 -1.3427 -1.0994 -1.0933 3.1858 3.1874 4.2041 4.2097 5.3828 5.3839 5.4448 5.4477 5.8964 5.9054 6.2674 6.2676 6.3753 6.3847 6.9038 6.9056 7.1355 7.1357 7.4947 7.4994 7.5475 7.5503 7.8942 7.8949 8.0757 8.0767 8.4548 8.4571 8.9203 8.9207 9.5118 9.5214 11.0618 11.0696 11.3349 11.3469 11.4833 11.4929 k = 0.2000-0.8117-0.4732 ( 5229 PWs) bands (ev): -3.7749 -3.7720 -2.8743 -2.8702 -2.5248 -2.5246 -1.3242 -1.3221 -1.0819 -1.0759 3.2076 3.2090 4.2518 4.2579 5.2974 5.2977 5.3964 5.3991 5.8028 5.8129 6.2482 6.2587 6.2733 6.2747 6.8409 6.8420 7.1071 7.1074 7.4651 7.4702 7.5099 7.5127 7.8425 7.8434 8.0471 8.0482 8.3839 8.3865 8.8957 8.8961 9.4601 9.4694 11.1179 11.1256 11.3811 11.3831 11.4696 11.4894 k = 0.2091-0.8486-0.4948 ( 5228 PWs) bands (ev): -3.7256 -3.7226 -2.8299 -2.8257 -2.4722 -2.4721 -1.3049 -1.3025 -1.0627 -1.0569 3.2303 3.2316 4.2961 4.3027 5.2026 5.2027 5.3505 5.3536 5.7174 5.7287 6.1219 6.1309 6.2763 6.2766 6.7771 6.7774 7.0781 7.0785 7.4249 7.4299 7.4739 7.4765 7.8039 7.8048 8.0205 8.0217 8.3170 8.3199 8.8710 8.8714 9.4080 9.4171 11.1759 11.1837 11.3907 11.3989 11.4819 11.5120 k = 0.2182-0.8855-0.5163 ( 5230 PWs) bands (ev): -3.6744 -3.6713 -2.7839 -2.7796 -2.4182 -2.4180 -1.2868 -1.2840 -1.0418 -1.0362 3.2538 3.2550 4.3349 4.3419 5.1050 5.1053 5.2998 5.3036 5.6429 5.6556 5.9952 6.0039 6.2769 6.2770 6.7107 6.7109 7.0487 7.0491 7.3745 7.3793 7.4400 7.4423 7.7764 7.7771 7.9958 7.9972 8.2556 8.2587 8.8464 8.8468 9.3556 9.3645 11.2361 11.2439 11.3754 11.3833 11.5250 11.5550 k = 0.2273-0.9224-0.5378 ( 5232 PWs) bands (ev): -3.6214 -3.6183 -2.7365 -2.7321 -2.3626 -2.3625 -1.2699 -1.2667 -1.0192 -1.0139 3.2781 3.2791 4.3652 4.3724 5.0066 5.0069 5.2435 5.2485 5.5797 5.5938 5.8727 5.8811 6.2747 6.2748 6.6413 6.6421 7.0191 7.0196 7.3161 7.3206 7.4084 7.4105 7.7559 7.7562 7.9728 7.9744 8.2011 8.2045 8.8221 8.8225 9.3029 9.3116 11.2975 11.3059 11.3519 11.3577 11.5763 11.6049 k = 0.2364-0.9593-0.5593 ( 5232 PWs) bands (ev): -3.5667 -3.5635 -2.6877 -2.6832 -2.3058 -2.3056 -1.2543 -1.2508 -0.9949 -0.9899 3.3028 3.3036 4.3831 4.3903 4.9083 4.9086 5.1851 5.1914 5.5232 5.5381 5.7608 5.7684 6.2697 6.2697 6.5694 6.5707 6.9895 6.9900 7.2524 7.2566 7.3792 7.3811 7.7379 7.7379 7.9515 7.9532 8.1551 8.1588 8.7982 8.7985 9.2500 9.2585 11.3181 11.3255 11.3673 11.3729 11.6290 11.6566 k = 0.2455-0.9962-0.5808 ( 5235 PWs) bands (ev): -3.5103 -3.5071 -2.6375 -2.6330 -2.2478 -2.2476 -1.2400 -1.2361 -0.9692 -0.9645 3.3278 3.3283 4.3839 4.3908 4.8104 4.8107 5.1303 5.1383 5.4624 5.4756 5.6716 5.6761 6.2617 6.2617 6.4955 6.4974 6.9598 6.9604 7.1853 7.1891 7.3526 7.3543 7.7185 7.7188 7.9318 7.9335 8.1188 8.1227 8.7747 8.7750 9.1968 9.2051 11.2884 11.2942 11.4330 11.4393 11.6816 11.7084 k = 0.2545-1.0331-0.6023 ( 5235 PWs) bands (ev): -3.4524 -3.4491 -2.5861 -2.5816 -2.1889 -2.1887 -1.2267 -1.2225 -0.9423 -0.9378 3.3526 3.3528 4.3639 4.3701 4.7133 4.7136 5.0835 5.0935 5.3855 5.3946 5.6159 5.6170 6.2509 6.2509 6.4206 6.4230 6.9303 6.9309 7.1160 7.1194 7.3285 7.3301 7.6959 7.6964 7.9137 7.9155 8.0925 8.0966 8.7519 8.7522 9.1435 9.1517 11.2558 11.2609 11.5022 11.5083 11.7332 11.7593 k = 0.2636-1.0700-0.6238 ( 5248 PWs) bands (ev): -3.3929 -3.3895 -2.5336 -2.5290 -2.1292 -2.1290 -1.2143 -1.2099 -0.9144 -0.9101 3.3765 3.3766 4.3221 4.3273 4.6166 4.6171 5.0442 5.0559 5.2972 5.3024 5.5859 5.5921 6.2373 6.2374 6.3458 6.3488 6.9011 6.9017 7.0452 7.0482 7.3068 7.3082 7.6692 7.6699 7.8974 7.8991 8.0756 8.0800 8.7297 8.7300 9.0902 9.0982 11.2222 11.2268 11.5737 11.5794 11.7837 11.8090 k = 0.2727-1.1069-0.6453 ( 5246 PWs) bands (ev): -3.3320 -3.3286 -2.4800 -2.4754 -2.0689 -2.0687 -1.2026 -1.1980 -0.8858 -0.8818 3.3988 3.3993 4.2612 4.2655 4.5200 4.5208 5.0029 5.0150 5.2159 5.2177 5.5761 5.5855 6.2210 6.2212 6.2728 6.2762 6.8721 6.8727 6.9735 6.9761 7.2873 7.2887 7.6389 7.6397 7.8827 7.8842 8.0667 8.0713 8.7084 8.7087 9.0369 9.0448 11.1880 11.1923 11.6471 11.6523 11.8325 11.8569 k = 0.2818-1.1438-0.6668 ( 5246 PWs) bands (ev): -3.2697 -3.2663 -2.4255 -2.4209 -2.0084 -2.0082 -1.1913 -1.1866 -0.8569 -0.8531 3.4185 3.4195 4.1865 4.1900 4.4233 4.4245 4.9443 4.9545 5.1576 5.1601 5.5799 5.5912 6.1962 6.1987 6.2090 6.2107 6.8435 6.8440 6.9013 6.9035 7.2699 7.2711 7.6059 7.6067 7.8695 7.8709 8.0638 8.0686 8.6880 8.6883 8.9839 8.9917 11.1536 11.1577 11.7223 11.7265 11.8794 11.9025 k = 0.2909-1.1807-0.6884 ( 5244 PWs) bands (ev): -3.2062 -3.2028 -2.3703 -2.3656 -1.9480 -1.9478 -1.1801 -1.1753 -0.8280 -0.8243 3.4342 3.4358 4.1033 4.1062 4.3266 4.3283 4.8651 4.8728 5.1236 5.1297 5.5937 5.6059 6.1352 6.1400 6.1846 6.1846 6.8153 6.8153 6.8295 6.8307 7.2542 7.2553 7.5713 7.5720 7.8578 7.8590 8.0651 8.0700 8.6686 8.6689 8.9314 8.9391 11.1194 11.1232 11.7988 11.8015 11.9244 11.9455 k = 0.3000-1.2176-0.7099 ( 5251 PWs) bands (ev): -3.1416 -3.1381 -2.3144 -2.3097 -1.8880 -1.8878 -1.1686 -1.1638 -0.7993 -0.7957 3.4440 3.4463 4.0164 4.0190 4.2303 4.2325 4.7770 4.7831 5.1022 5.1099 5.6148 5.6269 6.0774 6.0826 6.1628 6.1628 6.7560 6.7579 6.7878 6.7888 7.2400 7.2410 7.5358 7.5364 7.8474 7.8485 8.0688 8.0738 8.6503 8.6506 8.8797 8.8873 11.0856 11.0891 11.8760 11.8762 11.9681 11.9856 k = 0.3091-1.2545-0.7314 ( 5247 PWs) bands (ev): -3.0760 -3.0725 -2.2580 -2.2534 -1.8289 -1.8287 -1.1565 -1.1518 -0.7711 -0.7677 3.4451 3.4483 3.9294 3.9319 4.1347 4.1374 4.6903 4.6956 5.0822 5.0900 5.6402 5.6510 6.0299 6.0350 6.1401 6.1401 6.6846 6.6860 6.7608 6.7616 7.2270 7.2279 7.5000 7.5006 7.8382 7.8392 8.0737 8.0788 8.6331 8.6334 8.8291 8.8365 11.0523 11.0557 11.9466 11.9537 12.0133 12.0232 k = 0.3182-1.2914-0.7529 ( 5249 PWs) bands (ev): -3.0095 -3.0061 -2.2013 -2.1967 -1.7712 -1.7710 -1.1434 -1.1388 -0.7438 -0.7406 3.4344 3.4386 3.8455 3.8483 4.0403 4.0434 4.6112 4.6160 5.0584 5.0655 5.6654 5.6738 5.9968 6.0009 6.1167 6.1167 6.6139 6.6150 6.7345 6.7352 7.2150 7.2158 7.4645 7.4649 7.8301 7.8311 8.0785 8.0837 8.6171 8.6174 8.7801 8.7874 11.0197 11.0229 12.0044 12.0266 12.0622 12.0685 k = 0.3273-1.3283-0.7744 ( 5249 PWs) bands (ev): -2.9423 -2.9389 -2.1445 -2.1399 -1.7157 -1.7154 -1.1287 -1.1242 -0.7177 -0.7145 3.4088 3.4140 3.7672 3.7704 3.9475 3.9509 4.5438 4.5484 5.0284 5.0343 5.6851 5.6899 5.9824 5.9846 6.0928 6.0928 6.5447 6.5455 6.7089 6.7096 7.2037 7.2045 7.4294 7.4297 7.8230 7.8239 8.0822 8.0873 8.6024 8.6027 8.7332 8.7404 10.9881 10.9911 12.0451 12.0735 12.1238 12.1375 k = 0.3364-1.3652-0.7959 ( 5250 PWs) bands (ev): -2.8746 -2.8712 -2.0878 -2.0832 -1.6629 -1.6625 -1.1118 -1.1076 -0.6930 -0.6899 3.3670 3.3729 3.6948 3.6983 3.8569 3.8604 4.4912 4.4957 4.9916 4.9962 5.6953 5.6959 5.9883 5.9887 6.0689 6.0689 6.4775 6.4781 6.6842 6.6849 7.1930 7.1937 7.3951 7.3952 7.8168 7.8176 8.0837 8.0888 8.5889 8.5891 8.6892 8.6961 10.9573 10.9602 12.0758 12.1017 12.2005 12.2130 k = 0.3455-1.4021-0.8174 ( 5241 PWs) bands (ev): -2.8066 -2.8032 -2.0313 -2.0269 -1.6137 -1.6132 -1.0923 -1.0884 -0.6699 -0.6669 3.3105 3.3169 3.6260 3.6299 3.7691 3.7725 4.4552 4.4597 4.9483 4.9516 5.6928 5.6959 6.0094 6.0119 6.0453 6.0454 6.4133 6.4137 6.6604 6.6610 7.1828 7.1835 7.3617 7.3618 7.8114 7.8121 8.0821 8.0870 8.5765 8.5767 8.6488 8.6555 10.9277 10.9304 12.1014 12.1244 12.2790 12.2902 k = 0.3545-1.4390-0.8389 ( 5246 PWs) bands (ev): -2.7384 -2.7351 -1.9754 -1.9711 -1.5688 -1.5682 -1.0695 -1.0659 -0.6487 -0.6457 3.2434 3.2500 3.5571 3.5614 3.6853 3.6883 4.4360 4.4404 4.8996 4.9018 5.6847 5.6904 6.0200 6.0202 6.0432 6.0474 6.3538 6.3542 6.6376 6.6382 7.1730 7.1736 7.3293 7.3297 7.8066 7.8072 8.0763 8.0810 8.5653 8.5653 8.6132 8.6193 10.8992 10.9017 12.1235 12.1441 12.3572 12.3674 k = 0.3636-1.4758-0.8605 ( 5249 PWs) bands (ev): -2.6704 -2.6671 -1.9203 -1.9161 -1.5289 -1.5280 -1.0431 -1.0400 -0.6296 -0.6266 3.1704 3.1770 3.4849 3.4897 3.6063 3.6086 4.4322 4.4366 4.8470 4.8480 5.6746 5.6819 5.9977 5.9979 6.0760 6.0810 6.3033 6.3039 6.6159 6.6164 7.1636 7.1641 7.2984 7.2991 7.8023 7.8028 8.0657 8.0700 8.5544 8.5547 8.5834 8.5887 10.8718 10.8742 12.1431 12.1616 12.4342 12.4437 k = 0.3727-1.5127-0.8820 ( 5251 PWs) bands (ev): -2.6027 -2.5995 -1.8664 -1.8624 -1.4943 -1.4932 -1.0131 -1.0105 -0.6126 -0.6097 3.0949 3.1014 3.4087 3.4141 3.5326 3.5342 4.4413 4.4459 4.7919 4.7919 5.6639 5.6723 5.9756 5.9758 6.0958 6.1011 6.2734 6.2740 6.5953 6.5958 7.1545 7.1550 7.2692 7.2703 7.7984 7.7988 8.0498 8.0534 8.5425 8.5438 8.5613 8.5650 10.8458 10.8480 12.1611 12.1777 12.5093 12.5184 k = 0.3818-1.5496-0.9035 ( 5251 PWs) bands (ev): -2.5358 -2.5327 -1.8140 -1.8101 -1.4650 -1.4636 -0.9799 -0.9778 -0.5978 -0.5949 3.0195 3.0259 3.3298 3.3355 3.4638 3.4649 4.4604 4.4654 4.7353 4.7365 5.6530 5.6618 5.9543 5.9545 6.0853 6.0898 6.2794 6.2794 6.5759 6.5764 7.1457 7.1463 7.2420 7.2436 7.7949 7.7951 8.0283 8.0313 8.5288 8.5314 8.5480 8.5496 10.8211 10.8232 12.1780 12.1928 12.5815 12.5906 k = 0.3909-1.5865-0.9250 ( 5252 PWs) bands (ev): -2.4700 -2.4669 -1.7634 -1.7598 -1.4405 -1.4390 -0.9444 -0.9427 -0.5851 -0.5822 2.9460 2.9523 3.2500 3.2560 3.3998 3.4004 4.4854 4.4914 4.6806 4.6834 5.6413 5.6503 5.9341 5.9342 6.0507 6.0545 6.3124 6.3127 6.5578 6.5582 7.1373 7.1379 7.2171 7.2193 7.7915 7.7916 8.0018 8.0041 8.5163 8.5192 8.5398 8.5404 10.7978 10.7997 12.1941 12.2073 12.6415 12.6527 k = 0.4000-1.6234-0.9465 ( 5251 PWs) bands (ev): -2.4056 -2.4027 -1.7151 -1.7118 -1.4204 -1.4186 -0.9077 -0.9065 -0.5742 -0.5714 2.8754 2.8815 3.1713 3.1774 3.3402 3.3406 4.5089 4.5167 4.6343 4.6396 5.6279 5.6368 5.9149 5.9151 6.0083 6.0116 6.3563 6.3566 6.5409 6.5413 7.1294 7.1300 7.1947 7.1975 7.7883 7.7883 7.9711 7.9727 8.5073 8.5097 8.5338 8.5342 10.7760 10.7778 12.2097 12.2215 12.6451 12.6529 k = 0.4091-1.6603-0.9680 ( 5245 PWs) bands (ev): -2.3432 -2.3405 -1.6697 -1.6667 -1.4037 -1.4018 -0.8713 -0.8705 -0.5648 -0.5620 2.8087 2.8146 3.0951 3.1012 3.2853 3.2855 4.5099 4.5183 4.6188 4.6251 5.6117 5.6203 5.8968 5.8971 5.9659 5.9689 6.4031 6.4032 6.5255 6.5258 7.1219 7.1225 7.1751 7.1785 7.7849 7.7852 7.9374 7.9383 8.5015 8.5034 8.5292 8.5295 10.7558 10.7574 12.2248 12.2353 12.6355 12.6427 k = 0.4182-1.6972-0.9895 ( 5244 PWs) bands (ev): -2.2833 -2.2807 -1.6277 -1.6251 -1.3896 -1.3875 -0.8369 -0.8365 -0.5561 -0.5534 2.7464 2.7522 3.0227 3.0287 3.2351 3.2352 4.4786 4.4840 4.6458 4.6496 5.5917 5.5997 5.8798 5.8800 5.9271 5.9298 6.4491 6.4496 6.5117 6.5118 7.1149 7.1156 7.1584 7.1625 7.7813 7.7819 7.9019 7.9024 8.4984 8.4998 8.5256 8.5259 10.7372 10.7386 12.2392 12.2487 12.6251 12.6321 k = 0.4273-1.7341-1.0110 ( 5244 PWs) bands (ev): -2.2264 -2.2240 -1.5898 -1.5877 -1.3771 -1.3749 -0.8061 -0.8060 -0.5473 -0.5447 2.6892 2.6947 2.9552 2.9610 3.1900 3.1900 4.4364 4.4400 4.6891 4.6915 5.5668 5.5740 5.8634 5.8636 5.8943 5.8965 6.4898 6.4904 6.5020 6.5036 7.1085 7.1092 7.1447 7.1494 7.7770 7.7782 7.8662 7.8666 8.4973 8.4982 8.5229 8.5231 10.7203 10.7216 12.2530 12.2614 12.6154 12.6222 k = 0.4364-1.7710-1.0325 ( 5248 PWs) bands (ev): -2.1733 -2.1711 -1.5567 -1.5551 -1.3655 -1.3632 -0.7806 -0.7805 -0.5376 -0.5352 2.6375 2.6426 2.8935 2.8989 3.1501 3.1502 4.3941 4.3966 4.7378 4.7396 5.5365 5.5429 5.8468 5.8468 5.8692 5.8707 6.4860 6.4865 6.5358 6.5380 7.1027 7.1035 7.1339 7.1392 7.7709 7.7729 7.8326 7.8333 8.4973 8.4979 8.5208 8.5211 10.7052 10.7064 12.2657 12.2731 12.6073 12.6137 k = 0.4455-1.8079-1.0541 ( 5253 PWs) bands (ev): -2.1246 -2.1227 -1.5291 -1.5279 -1.3541 -1.3517 -0.7612 -0.7610 -0.5265 -0.5243 2.5916 2.5963 2.8383 2.8433 3.1156 3.1156 4.3549 4.3568 4.7891 4.7905 5.5011 5.5066 5.8297 5.8299 5.8519 5.8527 6.4765 6.4769 6.5731 6.5757 7.0977 7.0984 7.1259 7.1315 7.7595 7.7627 7.8056 7.8071 8.4981 8.4984 8.5194 8.5197 10.6920 10.6930 12.2771 12.2835 12.6008 12.6068 k = 0.4545-1.8448-1.0756 ( 5264 PWs) bands (ev): -2.0813 -2.0797 -1.5073 -1.5066 -1.3425 -1.3401 -0.7479 -0.7477 -0.5141 -0.5122 2.5520 2.5561 2.7905 2.7949 3.0864 3.0865 4.3202 4.3216 4.8412 4.8425 5.4616 5.4663 5.8144 5.8146 5.8398 5.8402 6.4683 6.4686 6.6064 6.6092 7.0934 7.0940 7.1205 7.1262 7.7395 7.7432 7.7907 7.7924 8.4992 8.4992 8.5185 8.5188 10.6808 10.6816 12.2870 12.2923 12.5963 12.6016 k = 0.4636-1.8817-1.0971 ( 5262 PWs) bands (ev): -2.0441 -2.0428 -1.4911 -1.4907 -1.3310 -1.3288 -0.7400 -0.7399 -0.5012 -0.4997 2.5191 2.5226 2.7506 2.7543 3.0627 3.0628 4.2909 4.2920 4.8928 4.8941 5.4197 5.4235 5.8022 5.8023 5.8307 5.8309 6.4615 6.4617 6.6347 6.6375 7.0898 7.0904 7.1173 7.1228 7.7157 7.7189 7.7845 7.7857 8.5002 8.5003 8.5180 8.5184 10.6715 10.6721 12.2951 12.2995 12.5935 12.5980 k = 0.4727-1.9186-1.1186 ( 5272 PWs) bands (ev): -2.0139 -2.0129 -1.4800 -1.4799 -1.3203 -1.3186 -0.7361 -0.7360 -0.4892 -0.4881 2.4932 2.4959 2.7191 2.7221 3.0443 3.0444 4.2676 4.2684 4.9420 4.9433 5.3775 5.3806 5.7932 5.7932 5.8239 5.8240 6.4561 6.4563 6.6577 6.6602 7.0871 7.0875 7.1159 7.1206 7.6940 7.6966 7.7815 7.7823 8.5011 8.5012 8.5179 8.5182 10.6642 10.6647 12.3016 12.3049 12.5921 12.5957 k = 0.4818-1.9555-1.1401 ( 5266 PWs) bands (ev): -1.9916 -1.9909 -1.4731 -1.4730 -1.3116 -1.3103 -0.7347 -0.7346 -0.4795 -0.4788 2.4745 2.4764 2.6966 2.6986 3.0313 3.0313 4.2507 4.2512 4.9858 4.9869 5.3387 5.3409 5.7870 5.7870 5.8191 5.8192 6.4523 6.4524 6.6746 6.6766 7.0851 7.0854 7.1157 7.1193 7.6772 7.6790 7.7798 7.7803 8.5017 8.5019 8.5179 8.5182 10.6590 10.6593 12.3062 12.3085 12.5918 12.5942 k = 0.4909-1.9924-1.1616 ( 5275 PWs) bands (ev): -1.9779 -1.9775 -1.4693 -1.4693 -1.3057 -1.3051 -0.7344 -0.7343 -0.4732 -0.4728 2.4635 2.4644 2.6831 2.6841 3.0235 3.0235 4.2404 4.2407 5.0185 5.0192 5.3093 5.3106 5.7834 5.7834 5.8163 5.8164 6.4500 6.4501 6.6853 6.6863 7.0840 7.0841 7.1163 7.1182 7.6667 7.6677 7.7790 7.7792 8.5022 8.5023 8.5181 8.5182 10.6559 10.6561 12.3092 12.3104 12.5920 12.5932 k = 0.5000-2.0293-1.1831 ( 5278 PWs) bands (ev): -1.9731 -1.9731 -1.4681 -1.4681 -1.3035 -1.3035 -0.7343 -0.7343 -0.4709 -0.4709 2.4601 2.4601 2.6789 2.6789 3.0209 3.0209 4.2371 4.2371 5.0314 5.0314 5.2982 5.2982 5.7822 5.7822 5.8154 5.8154 6.4493 6.4493 6.6892 6.6892 7.0837 7.0837 7.1173 7.1173 7.6635 7.6635 7.7788 7.7788 8.5024 8.5024 8.5181 8.5181 10.6549 10.6549 12.3106 12.3106 12.5925 12.5925 k = 0.5000-2.0293-1.1831 ( 5278 PWs) bands (ev): -1.9731 -1.9731 -1.4681 -1.4681 -1.3035 -1.3035 -0.7343 -0.7343 -0.4709 -0.4709 2.4601 2.4601 2.6789 2.6789 3.0209 3.0209 4.2371 4.2371 5.0314 5.0314 5.2982 5.2982 5.7822 5.7822 5.8154 5.8154 6.4493 6.4493 6.6892 6.6892 7.0837 7.0837 7.1173 7.1173 7.6635 7.6635 7.7788 7.7788 8.5024 8.5024 8.5181 8.5181 10.6549 10.6549 12.3106 12.3106 12.5925 12.5925 k = 0.5000-2.0078-1.2200 ( 5272 PWs) bands (ev): -1.9724 -1.9722 -1.4673 -1.4673 -1.3029 -1.3027 -0.7341 -0.7340 -0.4715 -0.4708 2.4607 2.4616 2.6797 2.6806 3.0217 3.0219 4.2373 4.2374 5.0317 5.0321 5.2982 5.2983 5.7770 5.7856 5.8115 5.8204 6.4424 6.4431 6.6867 6.6900 7.0571 7.0610 7.1345 7.1413 7.6455 7.6680 7.7581 7.7849 8.4928 8.5052 8.5214 8.5386 10.6609 10.6612 12.3099 12.3108 12.5932 12.5937 k = 0.5000-1.9862-1.2570 ( 5270 PWs) bands (ev): -1.9700 -1.9696 -1.4650 -1.4648 -1.3011 -1.3006 -0.7332 -0.7331 -0.4725 -0.4711 2.4635 2.4652 2.6828 2.6846 3.0243 3.0247 4.2380 4.2382 5.0330 5.0339 5.2982 5.2986 5.7709 5.7858 5.8101 5.8257 6.4227 6.4240 6.6823 6.6890 7.0177 7.0208 7.1611 7.1701 7.6143 7.6533 7.7318 7.7779 8.4796 8.4893 8.5588 8.5768 10.6787 10.6793 12.3087 12.3105 12.5955 12.5966 k = 0.5000-1.9647-1.2939 ( 5268 PWs) bands (ev): -1.9659 -1.9653 -1.4611 -1.4608 -1.2981 -1.2973 -0.7318 -0.7317 -0.4740 -0.4720 2.4684 2.4709 2.6883 2.6910 3.0287 3.0293 4.2393 4.2396 5.0352 5.0365 5.2984 5.2989 5.7639 5.7819 5.8117 5.8309 6.3911 6.3930 6.6755 6.6858 6.9734 6.9762 7.1841 7.1953 7.5703 7.6119 7.7136 7.7634 8.4585 8.4668 8.6134 8.6319 10.7082 10.7091 12.3066 12.3094 12.5984 12.6005 k = 0.5000-1.9432-1.3308 ( 5276 PWs) bands (ev): -1.9603 -1.9595 -1.4556 -1.4553 -1.2938 -1.2927 -0.7298 -0.7296 -0.4760 -0.4733 2.4754 2.4787 2.6962 2.6997 3.0349 3.0356 4.2410 4.2414 5.0382 5.0400 5.2985 5.2993 5.7560 5.7751 5.8151 5.8358 6.3489 6.3514 6.6652 6.6795 6.9250 6.9292 7.2009 7.2152 7.5166 7.5536 7.7012 7.7454 8.4291 8.4369 8.6805 8.6991 10.7484 10.7496 12.3031 12.3072 12.6009 12.6042 k = 0.5000-1.9217-1.3677 ( 5268 PWs) bands (ev): -1.9530 -1.9520 -1.4485 -1.4482 -1.2882 -1.2868 -0.7273 -0.7271 -0.4785 -0.4751 2.4845 2.4886 2.7064 2.7108 3.0429 3.0438 4.2433 4.2438 5.0418 5.0440 5.2986 5.2996 5.7471 5.7663 5.8187 5.8402 6.2978 6.3010 6.6501 6.6691 6.8735 6.8808 7.2086 7.2267 7.4602 7.4922 7.6884 7.7255 8.3923 8.4000 8.7560 8.7742 10.7986 10.8001 12.2982 12.3034 12.6013 12.6064 k = 0.5000-1.9001-1.4047 ( 5266 PWs) bands (ev): -1.9441 -1.9429 -1.4400 -1.4396 -1.2814 -1.2797 -0.7243 -0.7241 -0.4814 -0.4774 2.4956 2.5004 2.7189 2.7242 3.0527 3.0538 4.2461 4.2467 5.0457 5.0484 5.2986 5.3000 5.7364 5.7553 5.8220 5.8437 6.2398 6.2439 6.6285 6.6530 6.8202 6.8319 7.2016 7.2232 7.4117 7.4400 7.6729 7.7035 8.3488 8.3565 8.8369 8.8545 10.8577 10.8594 12.2915 12.2982 12.5981 12.6052 k = 0.5000-1.8786-1.4416 ( 5268 PWs) bands (ev): -1.9336 -1.9322 -1.4300 -1.4295 -1.2734 -1.2714 -0.7209 -0.7206 -0.4848 -0.4801 2.5087 2.5143 2.7337 2.7399 3.0642 3.0655 4.2495 4.2501 5.0495 5.0526 5.2983 5.3002 5.7234 5.7415 5.8242 5.8458 6.1775 6.1828 6.5985 6.6292 6.7663 6.7835 7.1749 7.1964 7.3834 7.4067 7.6538 7.6789 8.2994 8.3073 8.9213 8.9383 10.9244 10.9264 12.2834 12.2914 12.5900 12.5995 k = 0.5000-1.8571-1.4785 ( 5268 PWs) bands (ev): -1.9216 -1.9199 -1.4186 -1.4181 -1.2643 -1.2620 -0.7171 -0.7168 -0.4887 -0.4834 2.5237 2.5301 2.7508 2.7578 3.0775 3.0790 4.2533 4.2539 5.0528 5.0563 5.2976 5.3000 5.7064 5.7239 5.8246 5.8458 6.1141 6.1209 6.5595 6.5961 6.7123 6.7353 7.1317 7.1495 7.3759 7.3930 7.6310 7.6515 8.2451 8.2532 9.0079 9.0242 10.9974 10.9998 12.2740 12.2836 12.5767 12.5886 k = 0.5000-1.8355-1.5154 ( 5264 PWs) bands (ev): -1.9080 -1.9062 -1.4058 -1.4053 -1.2541 -1.2514 -0.7131 -0.7127 -0.4930 -0.4871 2.5406 2.5477 2.7701 2.7779 3.0926 3.0942 4.2577 4.2583 5.0549 5.0588 5.2959 5.2992 5.6835 5.7003 5.8222 5.8424 6.0540 6.0626 6.5123 6.5539 6.6572 6.6854 7.0827 7.0960 7.3793 7.3914 7.6044 7.6210 8.1870 8.1953 9.0961 9.1118 11.0755 11.0781 12.2638 12.2748 12.5583 12.5726 k = 0.5000-1.8140-1.5524 ( 5262 PWs) bands (ev): -1.8930 -1.8910 -1.3918 -1.3913 -1.2428 -1.2396 -0.7087 -0.7083 -0.4978 -0.4913 2.5592 2.5671 2.7916 2.8001 3.1093 3.1112 4.2625 4.2632 5.0551 5.0593 5.2929 5.2973 5.6517 5.6682 5.8162 5.8341 6.0029 6.0130 6.4592 6.5047 6.5988 6.6316 7.0361 7.0454 7.3867 7.3951 7.5743 7.5876 8.1262 8.1346 9.1853 9.2004 11.1573 11.1602 12.2530 12.2656 12.5357 12.5523 k = 0.5000-1.7925-1.5893 ( 5268 PWs) bands (ev): -1.8765 -1.8743 -1.3767 -1.3760 -1.2304 -1.2269 -0.7043 -0.7038 -0.5030 -0.4959 2.5796 2.5882 2.8151 2.8243 3.1278 3.1299 4.2679 4.2685 5.0524 5.0568 5.2876 5.2936 5.6089 5.6250 5.8061 5.8202 5.9653 5.9761 6.4023 6.4512 6.5363 6.5730 6.9957 7.0016 7.3946 7.4003 7.5414 7.5519 8.0639 8.0722 9.2753 9.2899 11.2413 11.2447 12.2418 12.2559 12.5099 12.5285 k = 0.5000-1.7710-1.6262 ( 5274 PWs) bands (ev): -1.8587 -1.8563 -1.3605 -1.3596 -1.2171 -1.2131 -0.6998 -0.6993 -0.5086 -0.5010 2.6017 2.6110 2.8406 2.8505 3.1480 3.1502 4.2737 4.2743 5.0457 5.0499 5.2787 5.2869 5.5554 5.5706 5.7932 5.8030 5.9409 5.9522 6.3435 6.3945 6.4721 6.5113 6.9616 6.9647 7.3999 7.4040 7.5076 7.5154 8.0013 8.0094 9.3660 9.3801 11.3265 11.3303 12.2300 12.2455 12.4823 12.5026 k = 0.5000-1.7494-1.6631 ( 5278 PWs) bands (ev): -1.8396 -1.8370 -1.3434 -1.3423 -1.2029 -1.1983 -0.6954 -0.6948 -0.5145 -0.5064 2.6254 2.6353 2.8679 2.8784 3.1698 3.1723 4.2799 4.2805 5.0333 5.0371 5.2639 5.2755 5.4951 5.5089 5.7798 5.7859 5.9253 5.9377 6.2838 6.3339 6.4117 6.4501 6.9320 6.9330 7.3970 7.4008 7.4781 7.4832 7.9397 7.9473 9.4574 9.4711 11.4114 11.4158 12.2172 12.2337 12.4542 12.4759 k = 0.5000-1.7279-1.7001 ( 5278 PWs) bands (ev): -1.8192 -1.8164 -1.3255 -1.3241 -1.1878 -1.1826 -0.6913 -0.6905 -0.5207 -0.5122 2.6506 2.6611 2.8968 2.9080 3.1933 3.1960 4.2865 4.2870 5.0137 5.0165 5.2402 5.2565 5.4338 5.4469 5.7677 5.7709 5.9142 5.9277 6.2242 6.2689 6.3603 6.3933 6.9040 6.9050 7.3759 7.3806 7.4626 7.4656 7.8804 7.8873 9.5494 9.5628 11.4949 11.5000 12.2024 12.2196 12.4271 12.4495 k = 0.5000-1.7064-1.7370 ( 5282 PWs) bands (ev): -1.7976 -1.7947 -1.3070 -1.3051 -1.1720 -1.1660 -0.6875 -0.6866 -0.5272 -0.5182 2.6772 2.6884 2.9273 2.9390 3.2183 3.2212 4.2934 4.2939 4.9848 4.9860 5.2048 5.2261 5.3775 5.3915 5.7576 5.7588 5.9047 5.9187 6.1664 6.2027 6.3190 6.3438 6.8760 6.8782 7.3374 7.3422 7.4605 7.4634 7.8247 7.8306 9.6422 9.6553 11.5760 11.5821 12.1848 12.2016 12.4025 12.4246 k = 0.5000-1.6848-1.7739 ( 5288 PWs) bands (ev): -1.7750 -1.7719 -1.2881 -1.2856 -1.1554 -1.1486 -0.6842 -0.6831 -0.5337 -0.5244 2.7051 2.7169 2.9589 2.9712 3.2448 3.2481 4.3005 4.3008 4.9434 4.9452 5.1586 5.1829 5.3291 5.3445 5.7490 5.7509 5.8949 5.9087 6.1130 6.1400 6.2868 6.3031 6.8473 6.8504 7.2903 7.2948 7.4637 7.4673 7.7737 7.7784 9.7357 9.7486 11.6537 11.6611 12.1633 12.1785 12.3812 12.4017 k = 0.5000-1.6633-1.8108 ( 5290 PWs) bands (ev): -1.7513 -1.7481 -1.2690 -1.2659 -1.1381 -1.1305 -0.6817 -0.6803 -0.5403 -0.5307 2.7343 2.7467 2.9916 3.0044 3.2728 3.2764 4.3075 4.3078 4.8887 4.8933 5.1063 5.1313 5.2858 5.3016 5.7430 5.7464 5.8841 5.8966 6.0672 6.0851 6.2621 6.2711 6.8170 6.8207 7.2386 7.2429 7.4682 7.4726 7.7286 7.7319 9.8302 9.8430 11.7270 11.7364 12.1376 12.1503 12.3630 12.3809 k = 0.5000-1.6418-1.8478 ( 5284 PWs) bands (ev): -1.7268 -1.7234 -1.2499 -1.2460 -1.1201 -1.1116 -0.6801 -0.6783 -0.5467 -0.5369 2.7645 2.7776 3.0250 3.0382 3.3023 3.3062 4.3141 4.3146 4.8233 4.8306 5.0524 5.0768 5.2417 5.2570 5.7401 5.7446 5.8724 5.8826 6.0308 6.0402 6.2439 6.2471 6.7847 6.7888 7.1839 7.1883 7.4725 7.4775 7.6901 7.6921 9.9258 9.9384 11.7947 11.8072 12.1085 12.1180 12.3462 12.3610 k = 0.5000-1.6203-1.8847 ( 5284 PWs) bands (ev): -1.7016 -1.6980 -1.2311 -1.2263 -1.1016 -1.0920 -0.6795 -0.6773 -0.5528 -0.5430 2.7958 2.8094 3.0586 3.0723 3.3330 3.3374 4.3199 4.3209 4.7504 4.7599 4.9988 5.0221 5.1928 5.2073 5.7401 5.7452 5.8609 5.8691 6.0029 6.0060 6.2297 6.2310 6.7506 6.7550 7.1272 7.1317 7.4758 7.4811 7.6588 7.6597 10.0224 10.0350 11.8538 11.8716 12.0778 12.0859 12.3290 12.3405 k = 0.5000-1.5987-1.9216 ( 5284 PWs) bands (ev): -1.6757 -1.6720 -1.2129 -1.2071 -1.0825 -1.0718 -0.6802 -0.6774 -0.5584 -0.5488 2.8277 2.8421 3.0921 3.1062 3.3650 3.3698 4.3241 4.3258 4.6739 4.6852 4.9455 4.9677 5.1381 5.1516 5.7425 5.7474 5.8516 5.8586 5.9785 5.9838 6.2180 6.2223 6.7154 6.7200 7.0689 7.0734 7.4776 7.4829 7.6345 7.6354 10.1202 10.1328 11.8962 11.9230 12.0516 12.0654 12.3089 12.3176 k = 0.5000-1.5772-1.9585 ( 5282 PWs) bands (ev): -1.6494 -1.6455 -1.1956 -1.1887 -1.0630 -1.0511 -0.6823 -0.6786 -0.5634 -0.5542 2.8603 2.8753 3.1251 3.1395 3.3982 3.4034 4.3252 4.3280 4.5978 4.6108 4.8925 4.9138 5.0783 5.0908 5.7463 5.7501 5.8460 5.8527 5.9590 5.9682 6.2107 6.2170 6.6802 6.6852 7.0094 7.0140 7.4777 7.4826 7.6174 7.6185 10.2192 10.2318 11.9055 11.9363 12.0565 12.0736 12.2845 12.2910 k = 0.5000-1.5557-1.9955 ( 5286 PWs) bands (ev): -1.6229 -1.6188 -1.1796 -1.1715 -1.0429 -1.0299 -0.6857 -0.6812 -0.5678 -0.5591 2.8932 2.9089 3.1568 3.1716 3.4323 3.4381 4.3201 4.3246 4.5271 4.5417 4.8397 4.8603 5.0156 5.0271 5.7488 5.7538 5.8432 5.8515 5.9452 5.9571 6.2070 6.2142 6.6461 6.6517 6.9491 6.9537 7.4764 7.4805 7.6067 7.6080 10.3193 10.3319 11.8820 11.9072 12.0988 12.1102 12.2548 12.2603 k = 0.5000-1.5342-2.0324 ( 5290 PWs) bands (ev): -1.5963 -1.5922 -1.1650 -1.1559 -1.0225 -1.0084 -0.6905 -0.6850 -0.5716 -0.5635 2.9261 2.9426 3.1869 3.2021 3.4672 3.4735 4.3030 4.3091 4.4696 4.4854 4.7873 4.8073 4.9527 4.9633 5.7472 5.7581 5.8408 5.8544 5.9380 5.9514 6.2059 6.2133 6.6145 6.6207 6.8885 6.8930 7.4741 7.4777 7.6009 7.6028 10.4204 10.4331 11.8433 11.8640 12.1496 12.1562 12.2218 12.2277 k = 0.5000-1.5126-2.0693 ( 5282 PWs) bands (ev): -1.5699 -1.5657 -1.1522 -1.1421 -1.0019 -0.9866 -0.6965 -0.6899 -0.5748 -0.5674 2.9586 2.9760 3.2146 3.2302 3.5026 3.5094 4.2678 4.2737 4.4341 4.4490 4.7352 4.7544 4.8930 4.9025 5.7407 5.7595 5.8374 5.8595 5.9394 5.9527 6.2067 6.2139 6.5863 6.5933 6.8280 6.8324 7.4713 7.4751 7.5986 7.6013 10.5222 10.5349 11.7989 11.8168 12.1635 12.1686 12.2233 12.2274 k = 0.5000-1.4911-2.1062 ( 5282 PWs) bands (ev): -1.5441 -1.5399 -1.1415 -1.1305 -0.9812 -0.9650 -0.7035 -0.6958 -0.5774 -0.5708 2.9903 3.0086 3.2394 3.2556 3.5382 3.5454 4.2172 4.2219 4.4181 4.4306 4.6833 4.7012 4.8397 4.8481 5.7286 5.7537 5.8354 5.8651 5.9499 5.9619 6.2086 6.2154 6.5622 6.5701 6.7680 6.7723 7.4687 7.4732 7.5985 7.6021 10.6240 10.6368 11.7530 11.7689 12.1214 12.1288 12.2750 12.2777 k = 0.5000-1.4696-2.1432 ( 5282 PWs) bands (ev): -1.5193 -1.5150 -1.1330 -1.1212 -0.9607 -0.9436 -0.7113 -0.7026 -0.5796 -0.5737 3.0205 3.0399 3.2608 3.2777 3.5732 3.5807 4.1607 4.1648 4.4112 4.4214 4.6319 4.6476 4.7957 4.8027 5.7109 5.7385 5.8379 5.8709 5.9682 5.9786 6.2108 6.2173 6.5426 6.5512 6.7092 6.7135 7.4670 7.4721 7.5999 7.6043 10.7251 10.7379 11.7080 11.7223 12.0710 12.0797 12.3314 12.3341 k = 0.5000-1.4480-2.1801 ( 5278 PWs) bands (ev): -1.4958 -1.4915 -1.1267 -1.1142 -0.9407 -0.9228 -0.7195 -0.7100 -0.5815 -0.5763 3.0484 3.0690 3.2784 3.2963 3.6070 3.6143 4.1054 4.1099 4.4070 4.4150 4.5824 4.5950 4.7626 4.7681 5.6888 5.7159 5.8446 5.8773 5.9923 6.0010 6.2124 6.2191 6.5274 6.5365 6.6523 6.6567 7.4662 7.4719 7.6022 7.6072 10.8236 10.8363 11.6665 11.6792 12.0167 12.0268 12.3879 12.3917 k = 0.5000-1.4265-2.2170 ( 5284 PWs) bands (ev): -1.4743 -1.4700 -1.1226 -1.1095 -0.9218 -0.9032 -0.7279 -0.7177 -0.5830 -0.5785 3.0733 3.0952 3.2923 3.3111 3.6382 3.6450 4.0555 4.0614 4.4018 4.4072 4.5376 4.5459 4.7405 4.7447 5.6639 5.6893 5.8535 5.8844 6.0204 6.0276 6.2125 6.2201 6.5162 6.5258 6.5983 6.6032 7.4665 7.4724 7.6050 7.6103 10.9167 10.9291 11.6321 11.6428 11.9601 11.9715 12.4436 12.4490 k = 0.5000-1.4050-2.2539 ( 5282 PWs) bands (ev): -1.4555 -1.4513 -1.1205 -1.1069 -0.9046 -0.8854 -0.7360 -0.7254 -0.5842 -0.5802 3.0941 3.1174 3.3023 3.3223 3.6651 3.6709 4.0141 4.0223 4.3932 4.3948 4.5014 4.5043 4.7292 4.7324 5.6381 5.6616 5.8633 5.8918 6.0512 6.0572 6.2101 6.2193 6.5075 6.5184 6.5487 6.5553 7.4676 7.4737 7.6080 7.6136 10.9994 11.0111 11.6101 11.6181 11.9020 11.9150 12.4950 12.5032 k = 0.5000-1.3835-2.2908 ( 5280 PWs) bands (ev): -1.4402 -1.4360 -1.1197 -1.1058 -0.8901 -0.8703 -0.7433 -0.7325 -0.5851 -0.5815 3.1101 3.1346 3.3089 3.3300 3.6860 3.6902 3.9838 3.9947 4.3761 4.3790 4.4741 4.4774 4.7280 4.7305 5.6129 5.6347 5.8729 5.8991 6.0825 6.0885 6.2045 6.2164 6.4935 6.5051 6.5134 6.5224 7.4697 7.4756 7.6110 7.6166 11.0639 11.0746 11.6082 11.6124 11.8434 11.8589 12.5086 12.5131 k = 0.5000-1.3619-2.3278 ( 5268 PWs) bands (ev): -1.4294 -1.4252 -1.1199 -1.1057 -0.8795 -0.8592 -0.7489 -0.7381 -0.5856 -0.5823 3.1208 3.1462 3.3124 3.3342 3.6995 3.7020 3.9658 3.9793 4.3541 4.3597 4.4569 4.4643 4.7363 4.7383 5.5897 5.6099 5.8817 5.9057 6.1097 6.1182 6.1976 6.2135 6.4637 6.4695 6.5111 6.5157 7.4723 7.4780 7.6138 7.6194 11.1021 11.1120 11.6300 11.6347 11.7857 11.8064 12.4888 12.4920 k = 0.5000-1.3404-2.3647 ( 5268 PWs) bands (ev): -1.4240 -1.4199 -1.1202 -1.1059 -0.8742 -0.8536 -0.7518 -0.7410 -0.5857 -0.5826 3.1260 3.1519 3.3128 3.3350 3.7063 3.7076 3.9592 3.9745 4.3338 4.3401 4.4500 4.4593 4.7533 4.7551 5.5693 5.5881 5.8889 5.9109 6.1231 6.1336 6.2009 6.2190 6.4364 6.4421 6.5128 6.5172 7.4755 7.4808 7.6164 7.6219 11.1115 11.1215 11.6608 11.6791 11.7390 11.7732 12.4706 12.4735 k = 0.5000-1.3189-2.4016 ( 5268 PWs) bands (ev): -1.4249 -1.4208 -1.1200 -1.1057 -0.8752 -0.8547 -0.7516 -0.7407 -0.5854 -0.5823 3.1263 3.1523 3.3104 3.3324 3.7083 3.7100 3.9608 3.9765 4.3187 4.3248 4.4513 4.4609 4.7784 4.7799 5.5524 5.5701 5.8933 5.9134 6.1152 6.1225 6.2272 6.2412 6.4165 6.4231 6.5173 6.5227 7.4790 7.4840 7.6186 7.6238 11.0984 11.1089 11.6479 11.6566 11.7837 11.8093 12.4564 12.4592 k = 0.8300-1.2788-2.3309 ( 5268 PWs) bands (ev): -1.4249 -1.4208 -1.1200 -1.1057 -0.8752 -0.8547 -0.7516 -0.7407 -0.5854 -0.5823 3.1263 3.1523 3.3104 3.3324 3.7083 3.7100 3.9608 3.9765 4.3187 4.3248 4.4513 4.4609 4.7784 4.7799 5.5524 5.5701 5.8933 5.9134 6.1152 6.1225 6.2272 6.2412 6.4165 6.4231 6.5173 6.5227 7.4790 7.4840 7.6186 7.6238 11.0984 11.1089 11.6479 11.6566 11.7837 11.8093 12.4564 12.4592 k = 0.8248-1.2576-2.2933 ( 5272 PWs) bands (ev): -1.4330 -1.4288 -1.1191 -1.1049 -0.8825 -0.8623 -0.7487 -0.7377 -0.5846 -0.5813 3.1227 3.1483 3.3054 3.3268 3.7084 3.7116 3.9669 3.9817 4.3097 4.3151 4.4607 4.4697 4.8111 4.8125 5.5390 5.5557 5.8931 5.9112 6.0941 6.0991 6.2647 6.2749 6.4033 6.4114 6.5245 6.5321 7.4828 7.4875 7.6203 7.6253 11.0709 11.0817 11.5997 11.6022 11.8784 11.8979 12.4465 12.4495 k = 0.8196-1.2363-2.2557 ( 5270 PWs) bands (ev): -1.4483 -1.4441 -1.1175 -1.1036 -0.8950 -0.8754 -0.7447 -0.7337 -0.5831 -0.5795 3.1165 3.1413 3.2985 3.3188 3.7084 3.7136 3.9748 3.9877 4.3069 4.3114 4.4792 4.4866 4.8503 4.8517 5.5295 5.5454 5.8854 5.9013 6.0713 6.0755 6.3042 6.3115 6.3964 6.4066 6.5349 6.5451 7.4865 7.4913 7.6214 7.6262 11.0355 11.0464 11.5441 11.5479 11.9850 12.0036 12.4413 12.4447 k = 0.8143-1.2150-2.2182 ( 5270 PWs) bands (ev): -1.4708 -1.4665 -1.1157 -1.1021 -0.9116 -0.8925 -0.7412 -0.7303 -0.5809 -0.5768 3.1091 3.1329 3.2907 3.3098 3.7088 3.7160 3.9833 3.9938 4.3098 4.3133 4.5069 4.5125 4.8951 4.8965 5.5236 5.5389 5.8674 5.8811 6.0536 6.0580 6.3398 6.3439 6.3984 6.4102 6.5493 6.5620 7.4902 7.4954 7.6217 7.6264 10.9960 11.0070 11.4887 11.4938 12.0973 12.1166 12.4407 12.4446 k = 0.8091-1.1938-2.1806 ( 5268 PWs) bands (ev): -1.4998 -1.4954 -1.1146 -1.1014 -0.9311 -0.9127 -0.7394 -0.7288 -0.5778 -0.5732 3.1017 3.1244 3.2833 3.3010 3.7094 3.7186 3.9919 3.9998 4.3182 4.3210 4.5431 4.5469 4.9447 4.9463 5.5205 5.5358 5.8385 5.8507 6.0435 6.0489 6.3598 6.3632 6.4183 6.4286 6.5686 6.5833 7.4938 7.4997 7.6210 7.6258 10.9547 10.9656 11.4347 11.4405 12.2114 12.2328 12.4439 12.4484 k = 0.8038-1.1725-2.1431 ( 5274 PWs) bands (ev): -1.5348 -1.5303 -1.1152 -1.1025 -0.9528 -0.9350 -0.7401 -0.7299 -0.5739 -0.5688 3.0955 3.1168 3.2774 3.2938 3.7099 3.7208 4.0004 4.0062 4.3327 4.3353 4.5864 4.5891 4.9983 5.0002 5.5197 5.5353 5.8013 5.8132 6.0401 6.0462 6.3641 6.3715 6.4519 6.4598 6.5940 6.6096 7.4973 7.5042 7.6194 7.6245 10.9129 10.9236 11.3822 11.3886 12.3231 12.3494 12.4493 12.4545 k = 0.7986-1.1512-2.1055 ( 5278 PWs) bands (ev): -1.5750 -1.5706 -1.1186 -1.1066 -0.9759 -0.9589 -0.7436 -0.7338 -0.5693 -0.5638 3.0912 3.1112 3.2743 3.2892 3.7104 3.7226 4.0089 4.0133 4.3537 4.3566 4.6351 4.6378 5.0553 5.0575 5.5198 5.5367 5.7593 5.7723 6.0412 6.0474 6.3652 6.3748 6.4873 6.4944 6.6264 6.6419 7.5008 7.5089 7.6168 7.6224 10.8713 10.8818 11.3313 11.3382 12.4214 12.4532 12.4578 12.4640 k = 0.7934-1.1300-2.0679 ( 5278 PWs) bands (ev): -1.6199 -1.6155 -1.1259 -1.1150 -0.9994 -0.9837 -0.7499 -0.7405 -0.5644 -0.5586 3.0896 3.1081 3.2747 3.2883 3.7109 3.7241 4.0179 4.0220 4.3815 4.3847 4.6880 4.6916 5.1151 5.1177 5.5191 5.5386 5.7161 5.7313 6.0449 6.0507 6.3664 6.3771 6.5205 6.5281 6.6659 6.6804 7.5045 7.5137 7.6132 7.6195 10.8304 10.8407 11.2820 11.2893 12.4403 12.4488 12.4918 12.5335 k = 0.7881-1.1087-2.0304 ( 5276 PWs) bands (ev): -1.6689 -1.6646 -1.1382 -1.1291 -1.0224 -1.0087 -0.7589 -0.7497 -0.5597 -0.5538 3.0910 3.1080 3.2795 3.2917 3.7116 3.7253 4.0285 4.0329 4.4155 4.4192 4.7441 4.7488 5.1770 5.1801 5.5149 5.5380 5.6758 5.6940 6.0500 6.0552 6.3687 6.3797 6.5513 6.5600 6.7115 6.7247 7.5083 7.5187 7.6088 7.6160 10.7905 10.8006 11.2342 11.2418 12.4163 12.4260 12.5128 12.5305 k = 0.7829-1.0875-1.9928 ( 5264 PWs) bands (ev): -1.7217 -1.7174 -1.1566 -1.1500 -1.0443 -1.0331 -0.7700 -0.7610 -0.5555 -0.5496 3.0958 3.1112 3.2893 3.3000 3.7128 3.7267 4.0419 4.0469 4.4549 4.4591 4.8026 4.8084 5.2404 5.2444 5.5032 5.5291 5.6451 5.6651 6.0559 6.0603 6.3723 6.3832 6.5805 6.5904 6.7617 6.7736 7.5124 7.5239 7.6039 7.6120 10.7517 10.7616 11.1876 11.1956 12.3837 12.3936 12.5127 12.5198 k = 0.7777-1.0662-1.9553 ( 5258 PWs) bands (ev): -1.7777 -1.7735 -1.1817 -1.1779 -1.0651 -1.0568 -0.7830 -0.7740 -0.5523 -0.5465 3.1040 3.1179 3.3042 3.3136 3.7149 3.7288 4.0593 4.0647 4.4988 4.5034 4.8624 4.8693 5.3047 5.3100 5.4806 5.5055 5.6314 5.6488 6.0624 6.0659 6.3774 6.3879 6.6091 6.6197 6.8153 6.8261 7.5168 7.5293 7.5989 7.6080 10.7140 10.7237 11.1422 11.1504 12.3484 12.3576 12.5013 12.5056 k = 0.7724-1.0449-1.9177 ( 5254 PWs) bands (ev): -1.8366 -1.8325 -1.2132 -1.2118 -1.0858 -1.0800 -0.7973 -0.7884 -0.5504 -0.5448 3.1157 3.1282 3.3247 3.3328 3.7185 3.7320 4.0811 4.0869 4.5459 4.5509 4.9223 4.9304 5.3684 5.3763 5.4486 5.4708 5.6328 5.6448 6.0694 6.0719 6.3841 6.3938 6.6377 6.6486 6.8711 6.8811 7.5216 7.5347 7.5945 7.6043 10.6775 10.6870 11.0976 11.1061 12.3127 12.3212 12.4869 12.4904 k = 0.7672-1.0237-1.8801 ( 5256 PWs) bands (ev): -1.8980 -1.8940 -1.2511 -1.2502 -1.1075 -1.1036 -0.8127 -0.8038 -0.5502 -0.5449 3.1309 3.1419 3.3508 3.3577 3.7242 3.7371 4.1077 4.1137 4.5953 4.6008 4.9808 4.9902 5.4056 5.4161 5.4445 5.4519 5.6431 5.6498 6.0771 6.0786 6.3922 6.4008 6.6665 6.6772 6.9285 6.9378 7.5267 7.5400 7.5915 7.6018 10.6421 10.6514 11.0537 11.0624 12.2780 12.2858 12.4729 12.4756 k = 0.7619-1.0024-1.8426 ( 5258 PWs) bands (ev): -1.9616 -1.9577 -1.2945 -1.2924 -1.1310 -1.1285 -0.8287 -0.8199 -0.5520 -0.5469 3.1495 3.1592 3.3824 3.3883 3.7325 3.7446 4.1390 4.1452 4.6461 4.6521 5.0355 5.0464 5.3717 5.3843 5.5069 5.5111 5.6589 5.6613 6.0855 6.0861 6.4015 6.4088 6.6954 6.7056 6.9870 6.9957 7.5322 7.5446 7.5915 7.6012 10.6078 10.6169 11.0102 11.0191 12.2449 12.2521 12.4602 12.4623 k = 0.7567-0.9811-1.8050 ( 5258 PWs) bands (ev): -2.0271 -2.0232 -1.3416 -1.3385 -1.1568 -1.1552 -0.8452 -0.8364 -0.5559 -0.5511 3.1714 3.1798 3.4193 3.4243 3.7441 3.7553 4.1751 4.1812 4.6973 4.7039 5.0811 5.0935 5.3420 5.3536 5.5700 5.5778 5.6771 5.6803 6.0946 6.0950 6.4119 6.4177 6.7243 6.7337 7.0460 7.0543 7.5378 7.5481 7.5956 7.6035 10.5744 10.5833 10.9670 10.9761 12.2137 12.2206 12.4490 12.4507 k = 0.7515-0.9599-1.7675 ( 5264 PWs) bands (ev): -2.0942 -2.0904 -1.3919 -1.3882 -1.1852 -1.1841 -0.8618 -0.8531 -0.5621 -0.5576 3.1964 3.2036 3.4611 3.4654 3.7596 3.7697 4.2153 4.2214 4.7478 4.7554 5.1087 5.1214 5.3309 5.3399 5.6318 5.6440 5.6983 5.7065 6.1046 6.1057 6.4229 6.4271 6.7529 6.7613 7.1052 7.1131 7.5438 7.5508 7.6045 7.6097 10.5419 10.5506 10.9239 10.9332 12.1849 12.1916 12.4394 12.4411 k = 0.7462-0.9386-1.7299 ( 5266 PWs) bands (ev): -2.1626 -2.1588 -1.4452 -1.4410 -1.2162 -1.2153 -0.8785 -0.8699 -0.5705 -0.5663 3.2243 3.2304 3.5074 3.5111 3.7795 3.7884 4.2595 4.2654 4.7966 4.8057 5.1095 5.1212 5.3483 5.3528 5.6890 5.7091 5.7243 5.7406 6.1162 6.1179 6.4342 6.4370 6.7809 6.7881 7.1641 7.1717 7.5504 7.5541 7.6181 7.6204 10.5102 10.5186 10.8808 10.8902 12.1587 12.1653 12.4312 12.4333 k = 0.7410-0.9174-1.6923 ( 5264 PWs) bands (ev): -2.2321 -2.2283 -1.5009 -1.4965 -1.2496 -1.2489 -0.8953 -0.8868 -0.5813 -0.5773 3.2547 3.2598 3.5574 3.5608 3.8045 3.8120 4.3070 4.3128 4.8420 4.8538 5.0889 5.1010 5.3869 5.3893 5.7381 5.7551 5.7728 5.7855 6.1296 6.1320 6.4454 6.4477 6.8079 6.8140 7.2224 7.2297 7.5583 7.5595 7.6359 7.6361 10.4791 10.4874 10.8378 10.8473 12.1351 12.1416 12.4244 12.4269 k = 0.7357-0.8961-1.6548 ( 5270 PWs) bands (ev): -2.3024 -2.2986 -1.5590 -1.5543 -1.2855 -1.2849 -0.9122 -0.9037 -0.5942 -0.5905 3.2874 3.2914 3.6103 3.6136 3.8351 3.8412 4.3571 4.3626 4.8811 4.8978 5.0599 5.0756 5.4344 5.4391 5.7812 5.7908 5.8344 5.8382 6.1453 6.1482 6.4560 6.4596 6.8336 6.8387 7.2794 7.2865 7.5677 7.5690 7.6565 7.6582 10.4488 10.4568 10.7948 10.8043 12.1142 12.1207 12.4187 12.4217 k = 0.7305-0.8748-1.6172 ( 5264 PWs) bands (ev): -2.3733 -2.3695 -1.6189 -1.6142 -1.3235 -1.3230 -0.9292 -0.9209 -0.6091 -0.6056 3.3217 3.3248 3.6650 3.6684 3.8720 3.8766 4.4090 4.4142 4.9078 4.9327 5.0353 5.0582 5.4868 5.4937 5.8231 5.8306 5.8929 5.8938 6.1636 6.1672 6.4669 6.4724 6.8579 6.8621 7.3347 7.3415 7.5804 7.5828 7.6818 7.6846 10.4190 10.4269 10.7519 10.7615 12.0961 12.1025 12.4137 12.4172 k = 0.7253-0.8536-1.5797 ( 5270 PWs) bands (ev): -2.4445 -2.4408 -1.6806 -1.6758 -1.3635 -1.3630 -0.9466 -0.9384 -0.6258 -0.6225 3.3570 3.3593 3.7204 3.7241 3.9159 3.9190 4.4615 4.4662 4.9143 4.9435 5.0341 5.0607 5.5421 5.5506 5.8649 5.8721 5.9471 5.9508 6.1854 6.1896 6.4788 6.4865 6.8805 6.8839 7.3876 7.3942 7.5979 7.6010 7.7119 7.7154 10.3898 10.3976 10.7093 10.7190 12.0805 12.0868 12.4089 12.4129 k = 0.7200-0.8323-1.5421 ( 5278 PWs) bands (ev): -2.5159 -2.5122 -1.7436 -1.7388 -1.4053 -1.4049 -0.9646 -0.9565 -0.6440 -0.6408 3.3926 3.3941 3.7754 3.7793 3.9668 3.9695 4.5129 4.5169 4.9044 4.9301 5.0604 5.0830 5.5995 5.6092 5.9047 5.9122 6.0008 6.0059 6.2113 6.2161 6.4926 6.5025 6.9011 6.9041 7.4376 7.4440 7.6209 7.6244 7.7465 7.7506 10.3613 10.3691 10.6673 10.6769 12.0674 12.0737 12.4040 12.4086 k = 0.7148-0.8111-1.5045 ( 5282 PWs) bands (ev): -2.5873 -2.5836 -1.8078 -1.8029 -1.4486 -1.4483 -0.9833 -0.9754 -0.6632 -0.6601 3.4274 3.4283 3.8292 3.8333 4.0247 4.0282 4.5605 4.5637 4.8920 4.9147 5.0963 5.1154 5.6589 5.6692 5.9388 5.9472 6.0551 6.0603 6.2423 6.2473 6.5094 6.5216 6.9197 6.9226 7.4845 7.4907 7.6495 7.6533 7.7854 7.7899 10.3334 10.3413 10.6259 10.6356 12.0566 12.0627 12.3986 12.4036 k = 0.7096-0.7898-1.4670 ( 5276 PWs) bands (ev): -2.6585 -2.6548 -1.8729 -1.8680 -1.4932 -1.4930 -1.0030 -0.9953 -0.6831 -0.6800 3.4601 3.4609 3.8819 3.8859 4.0891 4.0941 4.6007 4.6030 4.8878 4.9092 5.1350 5.1525 5.7200 5.7307 5.9645 5.9740 6.1111 6.1157 6.2785 6.2831 6.5304 6.5447 6.9359 6.9392 7.5286 7.5346 7.6833 7.6874 7.8282 7.8330 10.3063 10.3143 10.5856 10.5954 12.0477 12.0538 12.3923 12.3978 k = 0.7043-0.7685-1.4294 ( 5280 PWs) bands (ev): -2.7293 -2.7256 -1.9386 -1.9338 -1.5390 -1.5389 -1.0242 -1.0167 -0.7032 -0.7001 3.4894 3.4907 3.9338 3.9373 4.1592 4.1657 4.6297 4.6317 4.8990 4.9196 5.1758 5.1927 5.7826 5.7933 5.9813 5.9920 6.1685 6.1723 6.3195 6.3231 6.5567 6.5731 6.9497 6.9539 7.5709 7.5770 7.7210 7.7255 7.8745 7.8797 10.2800 10.2884 10.5465 10.5565 12.0406 12.0465 12.3847 12.3908 k = 0.6991-0.7473-1.3919 ( 5264 PWs) bands (ev): -2.7996 -2.7959 -2.0047 -1.9999 -1.5857 -1.5856 -1.0469 -1.0397 -0.7231 -0.7199 3.5142 3.5161 3.9851 3.9882 4.2333 4.2413 4.6479 4.6501 4.9277 4.9471 5.2191 5.2361 5.8457 5.8556 5.9913 6.0033 6.2258 6.2292 6.3644 6.3667 6.5891 6.6073 6.9612 6.9665 7.6129 7.6191 7.7612 7.7659 7.9239 7.9293 10.2546 10.2635 10.5091 10.5193 12.0347 12.0404 12.3758 12.3825 k = 0.6938-0.7260-1.3543 ( 5256 PWs) bands (ev): -2.8693 -2.8656 -2.0710 -2.0663 -1.6331 -1.6331 -1.0715 -1.0646 -0.7423 -0.7390 3.5332 3.5355 4.0362 4.0388 4.3093 4.3192 4.6605 4.6630 4.9706 4.9887 5.2652 5.2828 5.9055 5.9136 5.9999 6.0144 6.2805 6.2843 6.4132 6.4141 6.6281 6.6480 6.9705 6.9769 7.6557 7.6621 7.8022 7.8071 7.9758 7.9816 10.2302 10.2398 10.4737 10.4841 12.0296 12.0353 12.3654 12.3727 k = 0.6886-0.7047-1.3168 ( 5246 PWs) bands (ev): -2.9382 -2.9345 -2.1374 -2.1326 -1.6811 -1.6810 -1.0982 -1.0915 -0.7606 -0.7571 3.5453 3.5479 4.0872 4.0894 4.3847 4.3970 4.6744 4.6776 5.0232 5.0399 5.3145 5.3328 5.9483 5.9529 6.0238 6.0412 6.3303 6.3354 6.4653 6.4666 6.6737 6.6949 6.9777 6.9853 7.7001 7.7068 7.8429 7.8479 8.0298 8.0359 10.2069 10.2173 10.4405 10.4512 12.0250 12.0305 12.3535 12.3616 k = 0.6834-0.6835-1.2792 ( 5252 PWs) bands (ev): -3.0062 -3.0026 -2.2035 -2.1988 -1.7294 -1.7292 -1.1270 -1.1206 -0.7776 -0.7739 3.5497 3.5524 4.1379 4.1398 4.4557 4.4710 4.6963 4.7007 5.0823 5.0974 5.3664 5.3855 5.9629 5.9650 6.0771 6.0939 6.3739 6.3805 6.5218 6.5244 6.7256 6.7477 6.9833 6.9918 7.7467 7.7537 7.8823 7.8873 8.0855 8.0918 10.1848 10.1962 10.4098 10.4209 12.0202 12.0256 12.3401 12.3491 k = 0.6781-0.6622-1.2416 ( 5248 PWs) bands (ev): -3.0732 -3.0696 -2.2693 -2.2647 -1.7779 -1.7776 -1.1578 -1.1518 -0.7932 -0.7892 3.5462 3.5488 4.1880 4.1898 4.5178 4.5360 4.7329 4.7389 5.1460 5.1595 5.4197 5.4396 5.9669 5.9685 6.1427 6.1586 6.4114 6.4195 6.5828 6.5864 6.7830 6.8056 6.9876 6.9969 7.7955 7.8028 7.9197 7.9247 8.1423 8.1490 10.1641 10.1765 10.3819 10.3933 12.0145 12.0199 12.3255 12.3354 k = 0.6729-0.6410-1.2041 ( 5250 PWs) bands (ev): -3.1391 -3.1355 -2.3345 -2.3300 -1.8264 -1.8260 -1.1906 -1.1849 -0.8074 -0.8032 3.5348 3.5373 4.2369 4.2386 4.5682 4.5878 4.7888 4.7952 5.2133 5.2248 5.4732 5.4936 5.9725 5.9744 6.2115 6.2268 6.4441 6.4532 6.6473 6.6515 6.8449 6.8677 6.9912 7.0009 7.8464 7.8540 7.9547 7.9595 8.1999 8.2069 10.1448 10.1584 10.3570 10.3688 12.0074 12.0127 12.3097 12.3206 k = 0.6676-0.6197-1.1665 ( 5250 PWs) bands (ev): -3.2038 -3.2002 -2.3990 -2.3946 -1.8747 -1.8743 -1.2251 -1.2198 -0.8202 -0.8157 3.5163 3.5185 4.2840 4.2856 4.6089 4.6284 4.8616 4.8674 5.2825 5.2918 5.5254 5.5458 5.9854 5.9877 6.2808 6.2956 6.4735 6.4833 6.7136 6.7184 6.9105 6.9331 6.9954 7.0049 7.8994 7.9071 7.9869 7.9916 8.2580 8.2652 10.1270 10.1418 10.3351 10.3472 11.9980 12.0033 12.2929 12.3050 k = 0.6624-0.5984-1.1290 ( 5254 PWs) bands (ev): -3.2672 -3.2637 -2.4628 -2.4584 -1.9227 -1.9223 -1.2612 -1.2561 -0.8316 -0.8269 3.4914 3.4935 4.3285 4.3301 4.6444 4.6631 4.9455 4.9502 5.3514 5.3577 5.5773 5.5961 6.0094 6.0118 6.3486 6.3628 6.5019 6.5119 6.7801 6.7853 6.9787 6.9985 7.0043 7.0103 7.9538 7.9616 8.0164 8.0209 8.3162 8.3236 10.1109 10.1269 10.3162 10.3286 11.9855 11.9910 12.2755 12.2888 k = 0.6572-0.5772-1.0914 ( 5252 PWs) bands (ev): -3.3292 -3.3257 -2.5255 -2.5212 -1.9703 -1.9698 -1.2984 -1.2937 -0.8419 -0.8370 3.4612 3.4632 4.3698 4.3716 4.6778 4.6955 5.0357 5.0396 5.4153 5.4177 5.6327 5.6481 6.0455 6.0476 6.4124 6.4252 6.5326 6.5425 6.8436 6.8497 7.0129 7.0193 7.0496 7.0717 8.0086 8.0162 8.0440 8.0480 8.3741 8.3818 10.0966 10.1138 10.3003 10.3129 11.9690 11.9749 12.2577 12.2721 k = 0.6519-0.5559-1.0538 ( 5246 PWs) bands (ev): -3.3898 -3.3863 -2.5872 -2.5830 -2.0174 -2.0168 -1.3366 -1.3321 -0.8511 -0.8460 3.4266 3.4286 4.4076 4.4096 4.7100 4.7265 5.1297 5.1331 5.4669 5.4691 5.6979 5.7084 6.0917 6.0939 6.4679 6.4777 6.5710 6.5805 6.8974 6.9056 7.0369 7.0397 7.1213 7.1431 8.0561 8.0588 8.0800 8.0820 8.4315 8.4393 10.0842 10.1025 10.2872 10.2999 11.9476 11.9542 12.2397 12.2552 k = 0.6467-0.5346-1.0163 ( 5236 PWs) bands (ev): -3.4488 -3.4454 -2.6477 -2.6436 -2.0637 -2.0631 -1.3754 -1.3712 -0.8593 -0.8541 3.3886 3.3906 4.4418 4.4442 4.7405 4.7557 5.2262 5.2292 5.5048 5.5105 5.7762 5.7820 6.1436 6.1475 6.5117 6.5178 6.6209 6.6307 6.9346 6.9449 7.0791 7.0815 7.1941 7.2155 8.0799 8.0828 8.1318 8.1376 8.4881 8.4960 10.0738 10.0932 10.2766 10.2895 11.9209 11.9287 12.2216 12.2382 k = 0.6414-0.5134-0.9787 ( 5226 PWs) bands (ev): -3.5063 -3.5029 -2.7069 -2.7029 -2.1093 -2.1087 -1.4146 -1.4106 -0.8668 -0.8615 3.3480 3.3502 4.4728 4.4756 4.7681 4.7816 5.3241 5.3271 5.5361 5.5432 5.8659 5.8687 6.1966 6.2033 6.5462 6.5522 6.6793 6.6900 6.9587 6.9690 7.1385 7.1429 7.2676 7.2885 8.0967 8.0998 8.1898 8.1960 8.5435 8.5516 10.0656 10.0860 10.2684 10.2814 11.8887 11.8980 12.2032 12.2213 k = 0.6362-0.4921-0.9412 ( 5236 PWs) bands (ev): -3.5621 -3.5588 -2.7647 -2.7607 -2.1541 -2.1534 -1.4540 -1.4502 -0.8737 -0.8683 3.3056 3.3079 4.5011 4.5044 4.7909 4.8026 5.4224 5.4256 5.5670 5.5737 5.9637 5.9648 6.2460 6.2557 6.5785 6.5880 6.7416 6.7530 6.9794 6.9882 7.2082 7.2134 7.3415 7.3619 8.1100 8.1131 8.2489 8.2551 8.5976 8.6058 10.0595 10.0810 10.2622 10.2753 11.8515 11.8627 12.1821 12.2035 k = 0.6310-0.4709-0.9036 ( 5238 PWs) bands (ev): -3.6162 -3.6129 -2.8210 -2.8171 -2.1978 -2.1971 -1.4932 -1.4896 -0.8799 -0.8745 3.2619 3.2643 4.5273 4.5310 4.8078 4.8175 5.5193 5.5235 5.6027 5.6073 6.0664 6.0668 6.2880 6.3000 6.6147 6.6281 6.8050 6.8168 7.0033 7.0100 7.2824 7.2878 7.4159 7.4357 8.1204 8.1234 8.3082 8.3143 8.6500 8.6584 10.0558 10.0783 10.2577 10.2710 11.8101 11.8233 12.1460 12.1673 k = 0.6257-0.4496-0.8660 ( 5234 PWs) bands (ev): -3.6685 -3.6653 -2.8758 -2.8720 -2.2405 -2.2398 -1.5321 -1.5287 -0.8857 -0.8802 3.2175 3.2201 4.5518 4.5560 4.8180 4.8256 5.6075 5.6157 5.6508 5.6525 6.1702 6.1713 6.3224 6.3345 6.6565 6.6727 6.8688 6.8808 7.0342 7.0386 7.3581 7.3636 7.4908 7.5099 8.1283 8.1311 8.3673 8.3731 8.7007 8.7090 10.0544 10.0780 10.2547 10.2683 11.7655 11.7809 12.0927 12.1114 k = 0.6205-0.4283-0.8285 ( 5234 PWs) bands (ev): -3.7191 -3.7159 -2.9288 -2.9251 -2.2820 -2.2813 -1.5706 -1.5673 -0.8911 -0.8856 3.1728 3.1756 4.5749 4.5797 4.8215 4.8272 5.6709 5.6795 5.7274 5.7315 6.2660 6.2721 6.3570 6.3634 6.7028 6.7199 6.9340 6.9457 7.0741 7.0762 7.4338 7.4390 7.5666 7.5849 8.1339 8.1367 8.4258 8.4313 8.7492 8.7576 10.0556 10.0802 10.2528 10.2669 11.7186 11.7362 12.0364 12.0525 k = 0.6153-0.4071-0.7909 ( 5234 PWs) bands (ev): -3.7677 -3.7647 -2.9801 -2.9766 -2.3223 -2.3216 -1.6083 -1.6053 -0.8962 -0.8907 3.1282 3.1311 4.5968 4.6021 4.8192 4.8233 5.7255 5.7319 5.8181 5.8220 6.3237 6.3404 6.4155 6.4218 6.7522 6.7683 7.0016 7.0127 7.1231 7.1233 7.5083 7.5131 7.6438 7.6609 8.1377 8.1403 8.4834 8.4885 8.7955 8.8039 10.0592 10.0848 10.2520 10.2667 11.6701 11.6899 11.9806 11.9941 k = 0.6100-0.3858-0.7534 ( 5230 PWs) bands (ev): -3.8145 -3.8115 -3.0297 -3.0262 -2.3612 -2.3605 -1.6453 -1.6424 -0.9010 -0.8955 3.0841 3.0870 4.6171 4.6230 4.8127 4.8156 5.7816 5.7870 5.9059 5.9103 6.3452 6.3611 6.5063 6.5151 6.8058 6.8193 7.0713 7.0818 7.1796 7.1810 7.5807 7.5848 7.7227 7.7383 8.1399 8.1425 8.5396 8.5444 8.8394 8.8477 10.0654 10.0920 10.2521 10.2675 11.6203 11.6422 11.9262 11.9373 k = 0.6048-0.3645-0.7158 ( 5222 PWs) bands (ev): -3.8593 -3.8565 -3.0773 -3.0739 -2.3988 -2.3981 -1.6813 -1.6785 -0.9055 -0.9002 3.0406 3.0436 4.6349 4.6415 4.8039 4.8066 5.8390 5.8446 5.9863 5.9923 6.3586 6.3709 6.5994 6.6088 6.8673 6.8775 7.1409 7.1508 7.2452 7.2477 7.6505 7.6537 7.8033 7.8172 8.1409 8.1435 8.5942 8.5987 8.8806 8.8888 10.0741 10.1016 10.2530 10.2692 11.5692 11.5930 11.8743 11.8829 k = 0.5995-0.3433-0.6782 ( 5224 PWs) bands (ev): -3.9022 -3.8994 -3.1230 -3.1198 -2.4350 -2.4343 -1.7161 -1.7136 -0.9099 -0.9046 2.9980 3.0011 4.6486 4.6556 4.7961 4.7995 5.8958 5.9024 6.0557 6.0643 6.3737 6.3815 6.6849 6.6944 6.9399 6.9472 7.2079 7.2175 7.3198 7.3231 7.7175 7.7199 7.8854 7.8976 8.1412 8.1439 8.6468 8.6511 8.9190 8.9270 10.0852 10.1135 10.2547 10.2718 11.5163 11.5418 11.8259 11.8324 k = 0.5943-0.3220-0.6407 ( 5222 PWs) bands (ev): -3.9430 -3.9403 -3.1667 -3.1636 -2.4696 -2.4689 -1.7498 -1.7474 -0.9140 -0.9088 2.9566 2.9597 4.6554 4.6624 4.7937 4.7975 5.9497 5.9579 6.1095 6.1220 6.3968 6.3994 6.7630 6.7717 7.0225 7.0281 7.2730 7.2822 7.4016 7.4052 7.7821 7.7839 7.9685 7.9790 8.1410 8.1440 8.6972 8.7013 8.9545 8.9623 10.0985 10.1275 10.2571 10.2750 11.4613 11.4880 11.7820 11.7868 k = 0.5891-0.3008-0.6031 ( 5210 PWs) bands (ev): -3.9818 -3.9792 -3.2083 -3.2053 -2.5027 -2.5020 -1.7822 -1.7799 -0.9180 -0.9129 2.9166 2.9196 4.6535 4.6597 4.8001 4.8035 5.9980 6.0082 6.1450 6.1614 6.4305 6.4326 6.8375 6.8447 7.1092 7.1138 7.3392 7.3482 7.4873 7.4911 7.8449 7.8465 8.0519 8.0602 8.1409 8.1450 8.7452 8.7491 8.9871 8.9946 10.1137 10.1432 10.2600 10.2789 11.4039 11.4313 11.7435 11.7472 k = 0.5838-0.2795-0.5656 ( 5210 PWs) bands (ev): -4.0185 -4.0161 -3.2478 -3.2450 -2.5342 -2.5335 -1.8132 -1.8110 -0.9218 -0.9169 2.8780 2.8810 4.6434 4.6484 4.8147 4.8173 6.0386 6.0509 6.1635 6.1825 6.4771 6.4820 6.9120 6.9177 7.1918 7.1957 7.4110 7.4195 7.5739 7.5779 7.9069 7.9086 8.1293 8.1358 8.1417 8.1575 8.7906 8.7943 9.0168 9.0239 10.1302 10.1601 10.2634 10.2831 11.3441 11.3716 11.7107 11.7139 k = 0.5786-0.2582-0.5280 ( 5212 PWs) bands (ev): -4.0531 -4.0508 -3.2852 -3.2825 -2.5640 -2.5634 -1.8427 -1.8407 -0.9254 -0.9207 2.8411 2.8440 4.6280 4.6317 4.8349 4.8368 6.0703 6.0846 6.1696 6.1898 6.5368 6.5424 6.9880 6.9924 7.2641 7.2670 7.4913 7.4989 7.6594 7.6636 7.9694 7.9714 8.1423 8.1438 8.2176 8.2282 8.8332 8.8370 9.0435 9.0503 10.1476 10.1776 10.2670 10.2872 11.2821 11.3092 11.6838 11.6869 k = 0.5733-0.2370-0.4904 ( 5216 PWs) bands (ev): -4.0856 -4.0834 -3.3203 -3.3178 -2.5921 -2.5915 -1.8706 -1.8687 -0.9288 -0.9244 2.8060 2.8088 4.6095 4.6124 4.8586 4.8598 6.0928 6.1088 6.1681 6.1886 6.6055 6.6110 7.0646 7.0684 7.3249 7.3266 7.5777 7.5843 7.7421 7.7468 8.0335 8.0359 8.1476 8.1491 8.2982 8.3072 8.8732 8.8770 9.0675 9.0738 10.1651 10.1950 10.2703 10.2910 11.2185 11.2448 11.6628 11.6659 k = 0.5681-0.2157-0.4529 ( 5214 PWs) bands (ev): -4.1160 -4.1139 -3.3532 -3.3509 -2.6184 -2.6178 -1.8968 -1.8951 -0.9321 -0.9279 2.7728 2.7755 4.5898 4.5919 4.8842 4.8850 6.1070 6.1244 6.1620 6.1825 6.6802 6.6851 7.1396 7.1431 7.3774 7.3782 7.6639 7.6693 7.8212 7.8263 8.0998 8.1025 8.1578 8.1599 8.3767 8.3848 8.9106 8.9146 9.0887 9.0947 10.1818 10.2114 10.2728 10.2937 11.1540 11.1792 11.6472 11.6504 k = 0.5629-0.1945-0.4153 ( 5222 PWs) bands (ev): -4.1441 -4.1422 -3.3839 -3.3817 -2.6430 -2.6424 -1.9214 -1.9198 -0.9352 -0.9312 2.7416 2.7442 4.5697 4.5713 4.9108 4.9113 6.1142 6.1325 6.1536 6.1739 6.7586 6.7629 7.2094 7.2129 7.4268 7.4272 7.7425 7.7469 7.8942 7.8996 8.1652 8.1680 8.1799 8.1853 8.4524 8.4601 8.9457 8.9498 9.1075 9.1132 10.1968 10.2260 10.2738 10.2947 11.0893 11.1131 11.6366 11.6398 k = 0.5576-0.1732-0.3778 ( 5218 PWs) bands (ev): -4.1701 -4.1683 -3.4122 -3.4101 -2.6657 -2.6652 -1.9442 -1.9427 -0.9381 -0.9344 2.7126 2.7150 4.5501 4.5513 4.9378 4.9382 6.1159 6.1340 6.1446 6.1640 6.8388 6.8426 7.2696 7.2731 7.4781 7.4789 7.8093 7.8126 7.9550 7.9598 8.2111 8.2138 8.2417 8.2486 8.5251 8.5324 8.9787 8.9831 9.1241 9.1294 10.2092 10.2380 10.2723 10.2934 11.0255 11.0476 11.6306 11.6336 k = 0.5524-0.1519-0.3402 ( 5218 PWs) bands (ev): -4.1939 -4.1923 -3.4381 -3.4362 -2.6865 -2.6860 -1.9651 -1.9638 -0.9408 -0.9374 2.6858 2.6880 4.5313 4.5322 4.9648 4.9650 6.1136 6.1287 6.1377 6.1535 6.9194 6.9227 7.3171 7.3204 7.5353 7.5362 7.8638 7.8662 7.9965 8.0002 8.2673 8.2731 8.3144 8.3233 8.5946 8.6016 9.0102 9.0147 9.1387 9.1437 10.2176 10.2462 10.2679 10.2891 10.9633 10.9835 11.6286 11.6314 k = 0.5471-0.1307-0.3027 ( 5216 PWs) bands (ev): -4.2154 -4.2139 -3.4617 -3.4600 -2.7055 -2.7050 -1.9842 -1.9830 -0.9433 -0.9402 2.6613 2.6634 4.5136 4.5143 4.9912 4.9914 6.1086 6.1192 6.1316 6.1427 6.9988 7.0018 7.3521 7.3550 7.5981 7.5988 7.9078 7.9095 8.0202 8.0227 8.3334 8.3414 8.3941 8.4046 8.6608 8.6676 9.0404 9.0450 9.1516 9.1563 10.2208 10.2489 10.2605 10.2817 10.9041 10.9222 11.6300 11.6326 k = 0.5419-0.1094-0.2651 ( 5218 PWs) bands (ev): -4.2347 -4.2334 -3.4828 -3.4813 -2.7225 -2.7221 -2.0014 -2.0003 -0.9456 -0.9427 2.6392 2.6411 4.4974 4.4979 5.0166 5.0168 6.1019 6.1090 6.1245 6.1318 7.0758 7.0784 7.3770 7.3794 7.6633 7.6639 7.9434 7.9445 8.0326 8.0344 8.3951 8.4024 8.4853 8.4948 8.7242 8.7307 9.0695 9.0742 9.1628 9.1673 10.2177 10.2420 10.2531 10.2710 10.8492 10.8648 11.6342 11.6367 k = 0.5367-0.0881-0.2275 ( 5216 PWs) bands (ev): -4.2518 -4.2506 -3.5015 -3.5002 -2.7376 -2.7372 -2.0166 -2.0157 -0.9476 -0.9451 2.6195 2.6212 4.4827 4.4831 5.0407 5.0408 6.0946 6.0992 6.1164 6.1212 7.1489 7.1511 7.3947 7.3967 7.7276 7.7281 7.9723 7.9731 8.0392 8.0405 8.4456 8.4512 8.5833 8.5911 8.7848 8.7910 9.0975 9.1022 9.1727 9.1770 10.2079 10.2264 10.2439 10.2568 10.7999 10.8130 11.6407 11.6430 k = 0.5314-0.0669-0.1900 ( 5216 PWs) bands (ev): -4.2666 -4.2656 -3.5177 -3.5166 -2.7507 -2.7504 -2.0299 -2.0291 -0.9493 -0.9472 2.6024 2.6039 4.4698 4.4700 5.0628 5.0629 6.0872 6.0900 6.1080 6.1111 7.2166 7.2186 7.4074 7.4090 7.7883 7.7887 7.9956 7.9962 8.0427 8.0437 8.4841 8.4882 8.6817 8.6882 8.8426 8.8483 9.1239 9.1285 9.1813 9.1854 10.1924 10.2064 10.2287 10.2384 10.7576 10.7682 11.6487 11.6508 k = 0.5262-0.0456-0.1524 ( 5212 PWs) bands (ev): -4.2791 -4.2783 -3.5315 -3.5305 -2.7618 -2.7615 -2.0412 -2.0405 -0.9508 -0.9490 2.5878 2.5891 4.4587 4.4588 5.0825 5.0827 6.0801 6.0818 6.1000 6.1018 7.2776 7.2793 7.4165 7.4178 7.8433 7.8435 8.0141 8.0147 8.0449 8.0457 8.5115 8.5144 8.7758 8.7813 8.8969 8.9019 9.1480 9.1524 9.1888 9.1928 10.1731 10.1840 10.2071 10.2152 10.7233 10.7314 11.6574 11.6594 k = 0.5210-0.0244-0.1149 ( 5214 PWs) bands (ev): -4.2893 -4.2887 -3.5427 -3.5420 -2.7709 -2.7707 -2.0504 -2.0499 -0.9520 -0.9505 2.5759 2.5769 4.4495 4.4496 5.0995 5.0997 6.0737 6.0746 6.0927 6.0939 7.3303 7.3316 7.4229 7.4240 7.8906 7.8908 8.0283 8.0290 8.0468 8.0476 8.5293 8.5314 8.8619 8.8664 8.9460 8.9503 9.1687 9.1728 9.1953 9.1991 10.1526 10.1612 10.1808 10.1879 10.6971 10.7030 11.6661 11.6679 k = 0.5157-0.0031-0.0773 ( 5216 PWs) bands (ev): -4.2973 -4.2968 -3.5515 -3.5509 -2.7780 -2.7778 -2.0576 -2.0572 -0.9529 -0.9517 2.5666 2.5673 4.4423 4.4423 5.1132 5.1134 6.0683 6.0687 6.0867 6.0875 7.3731 7.3741 7.4276 7.4284 7.9287 7.9288 8.0382 8.0391 8.0495 8.0501 8.5397 8.5411 8.9357 8.9392 8.9884 8.9916 9.1852 9.1887 9.2012 9.2043 10.1335 10.1399 10.1532 10.1591 10.6784 10.6825 11.6739 11.6755 k = 0.5105 0.0182-0.0397 ( 5216 PWs) bands (ev): -4.3029 -4.3026 -3.5577 -3.5573 -2.7831 -2.7830 -2.0627 -2.0624 -0.9534 -0.9527 2.5599 2.5605 4.4371 4.4371 5.1234 5.1235 6.0641 6.0642 6.0824 6.0828 7.4044 7.4050 7.4312 7.4317 7.9562 7.9562 8.0441 8.0447 8.0537 8.0539 8.5451 8.5459 8.9926 8.9947 9.0223 9.0242 9.1967 9.1989 9.2068 9.2086 10.1180 10.1221 10.1287 10.1328 10.6663 10.6688 11.6800 11.6813 k = 0.5052 0.0394-0.0022 ( 5218 PWs) bands (ev): -4.3063 -4.3061 -3.5614 -3.5612 -2.7861 -2.7860 -2.0657 -2.0656 -0.9537 -0.9533 2.5560 2.5563 4.4340 4.4340 5.1296 5.1296 6.0614 6.0615 6.0797 6.0799 7.4221 7.4222 7.4351 7.4352 7.9723 7.9723 8.0472 8.0475 8.0574 8.0574 8.5473 8.5477 9.0268 9.0273 9.0468 9.0472 9.2030 9.2036 9.2116 9.2119 10.1081 10.1095 10.1125 10.1142 10.6597 10.6609 11.6833 11.6846 k = 0.5000 0.0607 0.0354 ( 5224 PWs) bands (ev): -4.3074 -4.3074 -3.5626 -3.5626 -2.7871 -2.7871 -2.0667 -2.0667 -0.9537 -0.9537 2.5548 2.5548 4.4329 4.4329 5.1317 5.1317 6.0605 6.0605 6.0789 6.0789 7.4264 7.4264 7.4379 7.4379 7.9776 7.9776 8.0483 8.0483 8.0588 8.0588 8.5480 8.5480 9.0373 9.0373 9.0565 9.0565 9.2049 9.2049 9.2134 9.2134 10.1045 10.1045 10.1074 10.1074 10.6580 10.6580 11.6841 11.6842 k = 0.5000 0.0607 0.0354 ( 5224 PWs) bands (ev): -4.3074 -4.3074 -3.5626 -3.5626 -2.7871 -2.7871 -2.0667 -2.0667 -0.9537 -0.9537 2.5548 2.5548 4.4329 4.4329 5.1317 5.1317 6.0605 6.0605 6.0789 6.0789 7.4264 7.4264 7.4379 7.4379 7.9776 7.9776 8.0483 8.0483 8.0588 8.0588 8.5480 8.5480 9.0373 9.0373 9.0565 9.0565 9.2049 9.2049 9.2134 9.2134 10.1045 10.1045 10.1074 10.1074 10.6580 10.6580 11.6841 11.6844 k = 0.4583 0.0556 0.0324 ( 5218 PWs) bands (ev): -4.3077 -4.3077 -3.5605 -3.5605 -2.7931 -2.7931 -2.0597 -2.0597 -0.9573 -0.9573 2.5596 2.5596 4.4095 4.4095 5.1573 5.1573 6.0605 6.0605 6.0789 6.0789 7.4263 7.4263 7.4378 7.4378 7.9465 7.9465 8.0489 8.0489 8.0593 8.0593 8.5760 8.5760 9.0349 9.0349 9.0539 9.0540 9.2070 9.2070 9.2156 9.2157 10.1045 10.1045 10.1074 10.1074 10.6548 10.6548 11.6842 11.6844 k = 0.4167 0.0506 0.0295 ( 5224 PWs) bands (ev): -4.3086 -4.3086 -3.5541 -3.5541 -2.8104 -2.8104 -2.0396 -2.0396 -0.9678 -0.9678 2.5738 2.5738 4.3476 4.3476 5.2257 5.2257 6.0605 6.0605 6.0789 6.0789 7.4258 7.4258 7.4373 7.4373 7.8669 7.8669 8.0504 8.0504 8.0607 8.0607 8.6464 8.6464 9.0282 9.0282 9.0468 9.0470 9.2128 9.2128 9.2216 9.2219 10.1045 10.1046 10.1073 10.1073 10.6454 10.6454 11.6842 11.6846 k = 0.3750 0.0455 0.0265 ( 5227 PWs) bands (ev): -4.3100 -4.3100 -3.5437 -3.5437 -2.8371 -2.8371 -2.0083 -2.0083 -0.9852 -0.9852 2.5971 2.5971 4.2624 4.2624 5.3219 5.3219 6.0606 6.0606 6.0789 6.0789 7.4251 7.4251 7.4365 7.4365 7.7600 7.7600 8.0528 8.0528 8.0630 8.0631 8.7376 8.7376 9.0184 9.0184 9.0364 9.0367 9.2213 9.2213 9.2305 9.2309 10.1045 10.1046 10.1073 10.1073 10.6302 10.6302 11.6843 11.6844 k = 0.3333 0.0405 0.0236 ( 5230 PWs) bands (ev): -4.3118 -4.3118 -3.5295 -3.5295 -2.8707 -2.8707 -1.9683 -1.9683 -1.0087 -1.0087 2.6290 2.6290 4.1656 4.1656 5.4344 5.4344 6.0606 6.0606 6.0790 6.0790 7.4242 7.4242 7.4355 7.4355 7.6387 7.6387 8.0559 8.0559 8.0660 8.0661 8.8362 8.8362 9.0068 9.0068 9.0242 9.0245 9.2313 9.2313 9.2408 9.2412 10.1045 10.1046 10.1072 10.1072 10.6095 10.6095 11.6845 11.6858 k = 0.2917 0.0354 0.0206 ( 5230 PWs) bands (ev): -4.3139 -4.3139 -3.5117 -3.5117 -2.9090 -2.9090 -1.9221 -1.9221 -1.0378 -1.0378 2.6686 2.6686 4.0639 4.0639 5.5568 5.5568 6.0606 6.0606 6.0790 6.0790 7.4231 7.4231 7.4343 7.4343 7.5093 7.5093 8.0596 8.0596 8.0696 8.0696 8.9340 8.9340 8.9957 8.9957 9.0112 9.0115 9.2418 9.2418 9.2516 9.2520 10.1046 10.1047 10.1070 10.1070 10.5842 10.5842 11.6847 11.6852 k = 0.2500 0.0303 0.0177 ( 5230 PWs) bands (ev): -4.3161 -4.3161 -3.4909 -3.4909 -2.9498 -2.9498 -1.8721 -1.8721 -1.0714 -1.0714 2.7149 2.7149 3.9617 3.9617 5.6854 5.6854 6.0607 6.0607 6.0790 6.0790 7.3750 7.3750 7.4220 7.4220 7.4331 7.4331 8.0636 8.0636 8.0734 8.0734 8.9776 8.9776 8.9983 8.9986 9.0354 9.0354 9.2521 9.2521 9.2621 9.2625 10.1046 10.1047 10.1068 10.1068 10.5553 10.5553 11.6850 11.6856 k = 0.2083 0.0253 0.0147 ( 5233 PWs) bands (ev): -4.3183 -4.3183 -3.4677 -3.4677 -2.9914 -2.9914 -1.8204 -1.8204 -1.1084 -1.1084 2.7665 2.7665 3.8618 3.8618 5.8181 5.8181 6.0607 6.0607 6.0791 6.0791 7.2377 7.2377 7.4208 7.4208 7.4319 7.4319 8.0676 8.0676 8.0772 8.0772 8.9675 8.9675 8.9863 8.9866 9.1228 9.1228 9.2617 9.2617 9.2717 9.2720 10.1047 10.1048 10.1065 10.1065 10.5244 10.5244 11.6852 11.6859 k = 0.1667 0.0202 0.0118 ( 5233 PWs) bands (ev): -4.3203 -4.3203 -3.4429 -3.4429 -3.0320 -3.0320 -1.7692 -1.7692 -1.1471 -1.1471 2.8211 2.8211 3.7673 3.7673 5.9536 5.9536 6.0607 6.0607 6.0791 6.0791 7.0987 7.0987 7.4198 7.4198 7.4307 7.4307 8.0714 8.0714 8.0808 8.0808 8.9574 8.9574 8.9757 8.9760 9.2017 9.2017 9.2704 9.2704 9.2800 9.2803 10.1047 10.1048 10.1062 10.1062 10.4934 10.4934 11.6853 11.6865 k = 0.1250 0.0152 0.0088 ( 5221 PWs) bands (ev): -4.3220 -4.3220 -3.4179 -3.4179 -3.0697 -3.0697 -1.7213 -1.7213 -1.1850 -1.1850 2.8755 2.8755 3.6817 3.6817 6.0607 6.0607 6.0790 6.0790 6.0905 6.0905 6.9591 6.9591 7.4189 7.4189 7.4298 7.4298 8.0746 8.0746 8.0839 8.0840 8.9488 8.9488 8.9671 8.9673 9.2634 9.2634 9.2825 9.2825 9.2867 9.2869 10.1048 10.1048 10.1058 10.1058 10.4646 10.4646 11.6856 11.6862 k = 0.0833 0.0101 0.0059 ( 5224 PWs) bands (ev): -4.3233 -4.3233 -3.3952 -3.3952 -3.1018 -3.1018 -1.6805 -1.6805 -1.2187 -1.2187 2.9247 2.9247 3.6102 3.6102 6.0608 6.0608 6.0791 6.0791 6.2271 6.2271 6.8206 6.8206 7.4182 7.4182 7.4290 7.4290 8.0771 8.0771 8.0863 8.0863 8.9424 8.9424 8.9606 8.9607 9.2787 9.2787 9.2917 9.2918 9.3235 9.3235 10.1048 10.1049 10.1054 10.1054 10.4410 10.4410 11.6856 11.6859 k = 0.0417 0.0051 0.0029 ( 5221 PWs) bands (ev): -4.3241 -4.3241 -3.3783 -3.3783 -3.1244 -3.1244 -1.6520 -1.6520 -1.2429 -1.2429 2.9606 2.9606 3.5609 3.5609 6.0608 6.0608 6.0792 6.0792 6.3581 6.3581 6.6884 6.6884 7.4178 7.4178 7.4286 7.4286 8.0787 8.0787 8.0878 8.0879 8.9385 8.9385 8.9567 8.9567 9.2824 9.2824 9.2947 9.2948 9.3552 9.3552 10.1048 10.1049 10.1051 10.1051 10.4253 10.4253 11.6862 11.6881 k = 0.0000 0.0000 0.0000 ( 5225 PWs) bands (ev): -4.3243 -4.3243 -3.3718 -3.3718 -3.1328 -3.1328 -1.6416 -1.6416 -1.2519 -1.2519 2.9742 2.9742 3.5429 3.5429 6.0608 6.0608 6.0792 6.0792 6.4396 6.4396 6.6065 6.6065 7.4176 7.4176 7.4284 7.4284 8.0793 8.0793 8.0884 8.0884 8.9372 8.9372 8.9553 8.9553 9.2836 9.2836 9.2957 9.2957 9.3663 9.3663 10.1048 10.1048 10.1050 10.1050 10.4198 10.4198 11.6857 11.6857 k = 0.0000 0.0000 0.0000 ( 5225 PWs) bands (ev): -4.3243 -4.3243 -3.3718 -3.3718 -3.1328 -3.1328 -1.6416 -1.6416 -1.2519 -1.2519 2.9742 2.9742 3.5429 3.5429 6.0608 6.0608 6.0792 6.0792 6.4396 6.4396 6.6065 6.6065 7.4176 7.4176 7.4284 7.4284 8.0793 8.0793 8.0884 8.0884 8.9372 8.9372 8.9553 8.9553 9.2836 9.2836 9.2957 9.2957 9.3663 9.3663 10.1048 10.1048 10.1050 10.1050 10.4198 10.4198 11.6857 11.6863 k = 0.0052-0.0212-0.0375 ( 5225 PWs) bands (ev): -4.3233 -4.3231 -3.3709 -3.3706 -3.1315 -3.1315 -1.6407 -1.6407 -1.2518 -1.2513 2.9746 2.9748 3.5445 3.5446 6.0584 6.0584 6.0775 6.0776 6.4411 6.4411 6.6068 6.6069 7.4148 7.4150 7.4262 7.4264 8.0762 8.0764 8.0858 8.0858 8.9272 8.9289 8.9472 8.9475 9.2773 9.2795 9.2910 9.2913 9.3643 9.3686 10.1074 10.1098 10.1103 10.1126 10.4211 10.4227 11.6850 11.6892 k = 0.0105-0.0425-0.0751 ( 5225 PWs) bands (ev): -4.3198 -4.3195 -3.3677 -3.3672 -3.1277 -3.1276 -1.6381 -1.6381 -1.2511 -1.2502 2.9760 2.9764 3.5494 3.5495 6.0484 6.0485 6.0761 6.0763 6.4443 6.4443 6.6084 6.6086 7.4039 7.4045 7.4223 7.4228 8.0657 8.0663 8.0798 8.0800 8.8953 8.8984 8.9277 8.9286 9.2589 9.2619 9.2814 9.2817 9.3625 9.3692 10.1170 10.1219 10.1273 10.1315 10.4270 10.4306 11.6819 11.6880 k = 0.0157-0.0637-0.1126 ( 5225 PWs) bands (ev): -4.3141 -4.3136 -3.3624 -3.3616 -3.1213 -3.1212 -1.6338 -1.6337 -1.2498 -1.2485 2.9784 2.9791 3.5575 3.5578 6.0292 6.0294 6.0779 6.0781 6.4468 6.4469 6.6122 6.6125 7.3837 7.3849 7.4184 7.4193 8.0467 8.0476 8.0718 8.0722 8.8417 8.8455 8.8998 8.9012 9.2293 9.2318 9.2689 9.2698 9.3590 9.3665 10.1322 10.1395 10.1520 10.1571 10.4389 10.4450 11.6745 11.6764 k = 0.0209-0.0850-0.1501 ( 5215 PWs) bands (ev): -4.3060 -4.3054 -3.3548 -3.3538 -3.1123 -3.1122 -1.6278 -1.6277 -1.2478 -1.2461 2.9819 2.9827 3.5689 3.5693 6.0034 6.0037 6.0820 6.0822 6.4455 6.4457 6.6192 6.6196 7.3557 7.3572 7.4137 7.4149 8.0205 8.0217 8.0612 8.0618 8.7710 8.7752 8.8623 8.8643 9.1905 9.1926 9.2539 9.2554 9.3524 9.3597 10.1507 10.1610 10.1788 10.1841 10.4593 10.4683 11.6662 11.6683 k = 0.0262-0.1062-0.1876 ( 5209 PWs) bands (ev): -4.2956 -4.2949 -3.3451 -3.3439 -3.1008 -3.1007 -1.6201 -1.6199 -1.2453 -1.2432 2.9864 2.9874 3.5835 3.5840 5.9733 5.9736 6.0875 6.0877 6.4379 6.4383 6.6299 6.6304 7.3210 7.3229 7.4074 7.4090 7.9881 7.9897 8.0475 8.0481 8.6872 8.6915 8.8154 8.8178 9.1441 9.1461 9.2370 9.2388 9.3420 9.3488 10.1692 10.1846 10.2016 10.2090 10.4905 10.5027 11.6570 11.6592 k = 0.0314-0.1275-0.2252 ( 5209 PWs) bands (ev): -4.2829 -4.2820 -3.3333 -3.3318 -3.0868 -3.0867 -1.6107 -1.6104 -1.2423 -1.2397 2.9919 2.9931 3.6013 3.6019 5.9404 5.9407 6.0940 6.0943 6.4230 6.4235 6.6437 6.6440 7.2807 7.2830 7.3991 7.4011 7.9511 7.9530 8.0300 8.0308 8.5939 8.5982 8.7597 8.7624 9.0909 9.0930 9.2185 9.2206 9.3275 9.3337 10.1841 10.2082 10.2166 10.2316 10.5334 10.5486 11.6479 11.6502 k = 0.0366-0.1487-0.2627 ( 5203 PWs) bands (ev): -4.2679 -4.2669 -3.3192 -3.3175 -3.0702 -3.0702 -1.5996 -1.5993 -1.2387 -1.2357 2.9985 2.9999 3.6221 3.6229 5.9057 5.9060 6.1010 6.1014 6.4009 6.4016 6.6589 6.6591 7.2359 7.2386 7.3884 7.3907 7.9107 7.9131 8.0080 8.0091 8.4940 8.4983 8.6962 8.6990 9.0320 9.0342 9.1986 9.2007 9.3087 9.3143 10.1921 10.2208 10.2335 10.2531 10.5867 10.6042 11.6396 11.6421 k = 0.0419-0.1699-0.3002 ( 5197 PWs) bands (ev): -4.2506 -4.2494 -3.3031 -3.3011 -3.0512 -3.0511 -1.5868 -1.5866 -1.2346 -1.2312 3.0062 3.0077 3.6460 3.6469 5.8700 5.8703 6.1077 6.1083 6.3725 6.3734 6.6733 6.6735 7.1877 7.1908 7.3748 7.3775 7.8684 7.8713 7.9804 7.9818 8.3908 8.3949 8.6261 8.6288 8.9682 8.9704 9.1769 9.1790 9.2854 9.2908 10.1932 10.2204 10.2554 10.2735 10.6481 10.6674 11.6331 11.6357 k = 0.0471-0.1912-0.3377 ( 5205 PWs) bands (ev): -4.2311 -4.2297 -3.2848 -3.2826 -3.0297 -3.0296 -1.5725 -1.5722 -1.2300 -1.2263 3.0149 3.0165 3.6728 3.6739 5.8339 5.8343 6.1128 6.1138 6.3392 6.3405 6.6846 6.6854 7.1373 7.1409 7.3581 7.3610 7.8258 7.8293 7.9454 7.9471 8.2876 8.2914 8.5504 8.5529 8.9003 8.9027 9.1529 9.1550 9.2580 9.2634 10.1887 10.2148 10.2755 10.2924 10.7151 10.7357 11.6291 11.6317 k = 0.0523-0.2124-0.3753 ( 5199 PWs) bands (ev): -4.2092 -4.2077 -3.2644 -3.2620 -3.0058 -3.0057 -1.5566 -1.5562 -1.2250 -1.2208 3.0248 3.0265 3.7025 3.7038 5.7980 5.7983 6.1136 6.1152 6.3038 6.3057 6.6904 6.6920 7.0861 7.0905 7.3381 7.3411 7.7842 7.7882 7.8996 7.9021 8.1888 8.1922 8.4701 8.4723 8.8293 8.8318 9.1257 9.1279 9.2270 9.2325 10.1804 10.2058 10.2932 10.3093 10.7859 10.8077 11.6281 11.6308 k = 0.0576-0.2337-0.4128 ( 5199 PWs) bands (ev): -4.1852 -4.1835 -3.2419 -3.2393 -2.9795 -2.9794 -1.5391 -1.5387 -1.2195 -1.2150 3.0357 3.0375 3.7349 3.7365 5.7625 5.7628 6.1047 6.1071 6.2719 6.2744 6.6874 6.6903 7.0361 7.0414 7.3147 7.3178 7.7446 7.7490 7.8391 7.8428 8.0999 8.1024 8.3861 8.3878 8.7563 8.7588 9.0944 9.0967 9.1932 9.1988 10.1699 10.1948 10.3084 10.3237 10.8593 10.8820 11.6307 11.6336 k = 0.0628-0.2549-0.4503 ( 5205 PWs) bands (ev): -4.1588 -4.1571 -3.2173 -3.2145 -2.9509 -2.9508 -1.5201 -1.5197 -1.2137 -1.2088 3.0478 3.0496 3.7700 3.7718 5.7277 5.7280 6.0794 6.0824 6.2507 6.2536 6.6723 6.6768 6.9894 6.9959 7.2885 7.2915 7.7069 7.7111 7.7620 7.7679 8.0242 8.0261 8.2993 8.3005 8.6820 8.6847 9.0578 9.0604 9.1577 9.1634 10.1583 10.1830 10.3211 10.3359 10.9344 10.9578 11.6373 11.6403 k = 0.0680-0.2762-0.4878 ( 5209 PWs) bands (ev): -4.1303 -4.1284 -3.1907 -3.1877 -2.9199 -2.9198 -1.4997 -1.4993 -1.2075 -1.2023 3.0610 3.0629 3.8075 3.8096 5.6939 5.6942 6.0354 6.0386 6.2428 6.2454 6.6424 6.6486 6.9475 6.9550 7.2602 7.2629 7.6562 7.6619 7.6837 7.6956 7.9600 7.9621 8.2101 8.2112 8.6076 8.6104 9.0148 9.0179 9.1217 9.1273 10.1466 10.1711 10.3317 10.3459 11.0104 11.0345 11.6484 11.6514 k = 0.0733-0.2974-0.5254 ( 5205 PWs) bands (ev): -4.0996 -4.0976 -3.1621 -3.1589 -2.8867 -2.8866 -1.4778 -1.4774 -1.2010 -1.1954 3.0754 3.0773 3.8473 3.8498 5.6612 5.6615 5.9772 5.9803 6.2433 6.2451 6.5978 6.6056 6.9091 6.9172 7.2305 7.2331 7.5628 7.5676 7.6485 7.6581 7.9024 7.9054 8.1192 8.1210 8.5340 8.5369 8.9654 8.9690 9.0857 9.0911 10.1356 10.1599 10.3402 10.3539 11.0868 11.1114 11.6642 11.6672 k = 0.0785-0.3186-0.5629 ( 5203 PWs) bands (ev): -4.0667 -4.0646 -3.1315 -3.1281 -2.8512 -2.8511 -1.4546 -1.4542 -1.1942 -1.1883 3.0909 3.0929 3.8892 3.8920 5.6298 5.6300 5.9096 5.9126 6.2458 6.2467 6.5419 6.5515 6.8698 6.8779 7.1998 7.2026 7.4615 7.4668 7.6210 7.6302 7.8470 7.8513 8.0275 8.0305 8.4620 8.4650 8.9099 8.9139 9.0494 9.0546 10.1259 10.1500 10.3471 10.3603 11.1630 11.1881 11.6852 11.6881 k = 0.0837-0.3399-0.6004 ( 5209 PWs) bands (ev): -4.0317 -4.0294 -3.0989 -3.0954 -2.8136 -2.8135 -1.4301 -1.4297 -1.1872 -1.1810 3.1077 3.1097 3.9331 3.9362 5.5995 5.5999 5.8357 5.8387 6.2434 6.2446 6.4816 6.4933 6.8240 6.8318 7.1663 7.1698 7.3653 7.3709 7.5961 7.6054 7.7909 7.7970 7.9362 7.9410 8.3924 8.3955 8.8491 8.8535 9.0126 9.0176 10.1178 10.1417 10.3525 10.3653 11.2383 11.2637 11.7114 11.7143 k = 0.0890-0.3611-0.6379 ( 5215 PWs) bands (ev): -3.9946 -3.9922 -3.0644 -3.0607 -2.7738 -2.7738 -1.4044 -1.4039 -1.1800 -1.1735 3.1257 3.1276 3.9785 3.9821 5.5706 5.5710 5.7575 5.7604 6.2267 6.2298 6.4276 6.4418 6.7675 6.7748 7.1234 7.1269 7.2857 7.2903 7.5727 7.5820 7.7316 7.7405 7.8471 7.8544 8.3259 8.3290 8.7840 8.7885 8.9748 8.9797 10.1116 10.1352 10.3568 10.3691 11.3123 11.3377 11.7432 11.7462 k = 0.0942-0.3824-0.6755 ( 5211 PWs) bands (ev): -3.9553 -3.9528 -3.0280 -3.0242 -2.7321 -2.7320 -1.3775 -1.3771 -1.1727 -1.1658 3.1449 3.1468 4.0253 4.0292 5.5430 5.5434 5.6760 5.6790 6.1862 6.1898 6.3928 6.4084 6.6987 6.7058 7.0611 7.0637 7.2339 7.2359 7.5491 7.5580 7.6668 7.6795 7.7635 7.7738 8.2631 8.2662 8.7154 8.7200 8.9357 8.9405 10.1073 10.1306 10.3601 10.3720 11.3842 11.4093 11.7806 11.7841 k = 0.0994-0.4036-0.7130 ( 5221 PWs) bands (ev): -3.9140 -3.9114 -2.9897 -2.9858 -2.6883 -2.6882 -1.3495 -1.3491 -1.1651 -1.1580 3.1653 3.1672 4.0729 4.0774 5.5165 5.5169 5.5923 5.5953 6.1220 6.1244 6.3776 6.3931 6.6194 6.6263 6.9807 6.9839 7.2036 7.2065 7.5220 7.5297 7.5951 7.6120 7.6915 7.7033 8.2044 8.2075 8.6441 8.6487 8.8951 8.8999 10.1050 10.1279 10.3625 10.3740 11.4535 11.4779 11.8235 11.8283 k = 0.1047-0.4249-0.7505 ( 5223 PWs) bands (ev): -3.8707 -3.8680 -2.9497 -2.9456 -2.6426 -2.6425 -1.3205 -1.3202 -1.1575 -1.1500 3.1869 3.1888 4.1211 4.1261 5.4907 5.4911 5.5076 5.5100 6.0435 6.0444 6.3685 6.3835 6.5359 6.5427 6.8927 6.8966 7.1835 7.1887 7.4825 7.4905 7.5201 7.5416 7.6360 7.6460 8.1502 8.1533 8.5710 8.5753 8.8530 8.8577 10.1044 10.1268 10.3642 10.3754 11.5197 11.5428 11.8717 11.8784 k = 0.1099-0.4461-0.7880 ( 5231 PWs) bands (ev): -3.8255 -3.8227 -2.9079 -2.9037 -2.5951 -2.5950 -1.2907 -1.2905 -1.1497 -1.1419 3.2098 3.2117 4.1692 4.1747 5.4202 5.4237 5.4662 5.4669 5.9579 5.9589 6.3429 6.3548 6.4691 6.4726 6.8019 6.8064 7.1667 7.1738 7.4174 7.4233 7.4616 7.4787 7.5968 7.6028 8.1009 8.1039 8.4966 8.5007 8.8093 8.8141 10.1053 10.1272 10.3654 10.3763 11.5824 11.6039 11.9245 11.9337 k = 0.1151-0.4673-0.8256 ( 5241 PWs) bands (ev): -3.7782 -3.7753 -2.8643 -2.8601 -2.5459 -2.5458 -1.2602 -1.2601 -1.1417 -1.1335 3.2338 3.2356 4.2166 4.2225 5.3334 5.3368 5.4415 5.4421 5.8699 5.8723 6.2740 6.2792 6.4419 6.4459 6.7097 6.7147 7.1486 7.1576 7.3368 7.3411 7.4087 7.4190 7.5692 7.5715 8.0568 8.0597 8.4219 8.4255 8.7641 8.7689 10.1075 10.1288 10.3660 10.3766 11.6416 11.6610 11.9807 11.9931 k = 0.1204-0.4886-0.8631 ( 5245 PWs) bands (ev): -3.7291 -3.7261 -2.8191 -2.8148 -2.4950 -2.4949 -1.2292 -1.2291 -1.1334 -1.1249 3.2589 3.2607 4.2622 4.2687 5.2464 5.2499 5.4159 5.4170 5.7833 5.7875 6.1773 6.1796 6.4356 6.4438 6.6164 6.6221 7.1254 7.1362 7.2543 7.2592 7.3507 7.3571 7.5470 7.5481 8.0181 8.0210 8.3473 8.3505 8.7175 8.7222 10.1106 10.1314 10.3662 10.3766 11.6970 11.7141 12.0389 12.0549 k = 0.1256-0.5098-0.9006 ( 5245 PWs) bands (ev): -3.6781 -3.6750 -2.7723 -2.7679 -2.4426 -2.4424 -1.1982 -1.1978 -1.1246 -1.1156 3.2851 3.2868 4.3051 4.3121 5.1597 5.1632 5.3881 5.3907 5.7007 5.7071 6.0724 6.0739 6.4334 6.4454 6.5225 6.5304 7.0913 7.1030 7.1784 7.1843 7.2895 7.2934 7.5262 7.5288 7.9851 7.9878 8.2739 8.2764 8.6696 8.6743 10.1145 10.1345 10.3660 10.3763 11.7484 11.7631 12.0966 12.1170 k = 0.1309-0.5311-0.9381 ( 5251 PWs) bands (ev): -3.6253 -3.6221 -2.7239 -2.7194 -2.3887 -2.3885 -1.1679 -1.1672 -1.1146 -1.1052 3.3121 3.3138 4.3436 4.3511 5.0734 5.0770 5.3568 5.3617 5.6246 5.6339 5.9666 5.9677 6.4103 6.4230 6.4512 6.4591 7.0375 7.0463 7.1198 7.1264 7.2267 7.2289 7.5058 7.5095 7.9575 7.9603 8.2024 8.2041 8.6205 8.6252 10.1189 10.1382 10.3655 10.3757 11.7955 11.8077 12.1479 12.1760 k = 0.1361-0.5523-0.9757 ( 5253 PWs) bands (ev): -3.5707 -3.5675 -2.6741 -2.6694 -2.3335 -2.3332 -1.1400 -1.1394 -1.1014 -1.0919 3.3400 3.3416 4.3760 4.3838 4.9880 4.9918 5.3206 5.3287 5.5572 5.5698 5.8635 5.8649 6.3268 6.3306 6.4434 6.4492 6.9664 6.9717 7.0733 7.0826 7.1633 7.1646 7.4842 7.4888 7.9350 7.9378 8.1339 8.1347 8.5704 8.5751 10.1235 10.1420 10.3648 10.3750 11.8374 11.8476 12.1832 12.2163 k = 0.1413-0.5736-1.0132 ( 5255 PWs) bands (ev): -3.5144 -3.5112 -2.6228 -2.6181 -2.2770 -2.2768 -1.1190 -1.1177 -1.0805 -1.0726 3.3683 3.3699 4.4000 4.4079 4.9037 4.9077 5.2798 5.2914 5.4986 5.5138 5.7667 5.7698 6.2323 6.2359 6.4364 6.4446 6.8895 6.8930 7.0273 7.0392 7.1001 7.1017 7.4604 7.4655 7.9162 7.9192 8.0695 8.0700 8.5195 8.5243 10.1284 10.1460 10.3640 10.3743 11.8738 11.8821 12.2085 12.2358 k = 0.1466-0.5948-1.0507 ( 5257 PWs) bands (ev): -3.4565 -3.4532 -2.5701 -2.5654 -2.2195 -2.2192 -1.1058 -1.1023 -1.0520 -1.0463 3.3970 3.3986 4.4132 4.4209 4.8208 4.8250 5.2366 5.2514 5.4450 5.4604 5.6820 5.6887 6.1375 6.1416 6.4258 6.4356 6.8127 6.8153 6.9776 6.9911 7.0380 7.0404 7.4334 7.4388 7.8985 7.9019 8.0114 8.0134 8.4681 8.4729 10.1334 10.1501 10.3633 10.3737 11.9044 11.9113 12.2317 12.2556 k = 0.1518-0.6160-1.0882 ( 5255 PWs) bands (ev): -3.3970 -3.3936 -2.5162 -2.5114 -2.1610 -2.1607 -1.0958 -1.0908 -1.0202 -1.0159 3.4255 3.4272 4.4134 4.4205 4.7394 4.7441 5.1942 5.2113 5.3889 5.4011 5.6167 5.6296 6.0439 6.0485 6.4094 6.4205 6.7386 6.7407 6.9236 6.9375 6.9774 6.9804 7.4025 7.4081 7.8764 7.8802 7.9657 7.9695 8.4165 8.4213 10.1385 10.1543 10.3628 10.3734 11.9294 11.9354 12.2545 12.2756 k = 0.1570-0.6373-1.1258 ( 5261 PWs) bands (ev): -3.3360 -3.3326 -2.4610 -2.4562 -2.1017 -2.1014 -1.0869 -1.0811 -0.9874 -0.9838 3.4535 3.4553 4.3991 4.4054 4.6599 4.6650 5.1543 5.1724 5.3255 5.3323 5.5762 5.5960 5.9524 5.9579 6.3854 6.3977 6.6691 6.6709 6.8667 6.8797 6.9169 6.9214 7.3672 7.3728 7.8439 7.8471 7.9387 7.9437 8.3649 8.3697 10.1436 10.1585 10.3628 10.3736 11.9497 11.9552 12.2771 12.2957 k = 0.1623-0.6585-1.1633 ( 5265 PWs) bands (ev): -3.2735 -3.2700 -2.4048 -2.3999 -2.0418 -2.0416 -1.0783 -1.0720 -0.9544 -0.9511 3.4804 3.4822 4.3707 4.3759 4.5824 4.5881 5.1151 5.1315 5.2589 5.2596 5.5588 5.5841 5.8640 5.8706 6.3523 6.3655 6.6059 6.6074 6.8082 6.8198 6.8553 6.8625 7.3274 7.3329 7.8037 7.8058 7.9267 7.9321 8.3137 8.3185 10.1490 10.1629 10.3636 10.3746 11.9665 11.9717 12.2995 12.3156 k = 0.1675-0.6798-1.2008 ( 5263 PWs) bands (ev): -3.2097 -3.2062 -2.3475 -2.3426 -1.9815 -1.9813 -1.0697 -1.0631 -0.9214 -0.9184 3.5053 3.5073 4.3300 4.3341 4.5073 4.5135 5.0706 5.0820 5.1924 5.1995 5.5590 5.5882 5.7797 5.7882 6.3093 6.3229 6.5496 6.5515 6.7493 6.7588 6.7925 6.8037 7.2831 7.2885 7.7618 7.7631 7.9217 7.9275 8.2634 8.2682 10.1546 10.1675 10.3656 10.3768 11.9809 11.9859 12.3213 12.3354 k = 0.1727-0.7010-1.2383 ( 5267 PWs) bands (ev): -3.1446 -3.1411 -2.2893 -2.2843 -1.9210 -1.9207 -1.0611 -1.0542 -0.8889 -0.8861 3.5273 3.5296 4.2796 4.2827 4.4347 4.4415 5.0150 5.0204 5.1378 5.1513 5.5719 5.6046 5.7009 5.7128 6.2568 6.2703 6.4992 6.5028 6.6901 6.6970 6.7292 6.7457 7.2351 7.2401 7.7207 7.7215 7.9193 7.9256 8.2143 8.2192 10.1606 10.1726 10.3691 10.3804 11.9940 11.9990 12.3425 12.3548 k = 0.1780-0.7223-1.2759 ( 5267 PWs) bands (ev): -3.0783 -3.0747 -2.2303 -2.2253 -1.8604 -1.8602 -1.0523 -1.0452 -0.8570 -0.8542 3.5454 3.5478 4.2226 4.2250 4.3653 4.3726 4.9504 4.9525 5.0929 5.1089 5.5867 5.6215 5.6375 5.6531 6.1970 6.2103 6.4529 6.4590 6.6300 6.6343 6.6671 6.6896 7.1840 7.1887 7.6804 7.6810 7.9177 7.9246 8.1670 8.1720 10.1672 10.1783 10.3745 10.3858 12.0065 12.0116 12.3631 12.3739 k = 0.1832-0.7435-1.3134 ( 5261 PWs) bands (ev): -3.0109 -3.0073 -2.1706 -2.1655 -1.8001 -1.7999 -1.0432 -1.0360 -0.8259 -0.8232 3.5581 3.5607 4.1615 4.1633 4.2996 4.3073 4.8838 4.8852 5.0501 5.0657 5.5583 5.5616 5.6512 5.6666 6.1322 6.1456 6.4084 6.4171 6.5675 6.5709 6.6084 6.6366 7.1308 7.1351 7.6403 7.6409 7.9154 7.9229 8.1222 8.1273 10.1746 10.1847 10.3821 10.3934 12.0193 12.0244 12.3830 12.3925 k = 0.1884-0.7647-1.3509 ( 5271 PWs) bands (ev): -2.9426 -2.9390 -2.1102 -2.1052 -1.7403 -1.7401 -1.0337 -1.0263 -0.7958 -0.7932 3.5640 3.5666 4.0980 4.0998 4.2385 4.2464 4.8205 4.8219 5.0051 5.0190 5.5022 5.5075 5.6871 5.7055 6.0647 6.0791 6.3636 6.3749 6.5032 6.5073 6.5544 6.5869 7.0764 7.0804 7.5997 7.6002 7.9113 7.9194 8.0806 8.0858 10.1829 10.1922 10.3923 10.4035 12.0328 12.0378 12.4020 12.4105 k = 0.1937-0.7860-1.3884 ( 5271 PWs) bands (ev): -2.8734 -2.8697 -2.0495 -2.0444 -1.6814 -1.6812 -1.0236 -1.0162 -0.7670 -0.7643 3.5619 3.5644 4.0337 4.0358 4.1825 4.1903 4.7631 4.7646 4.9570 4.9689 5.4504 5.4581 5.7302 5.7464 5.9968 6.0138 6.3166 6.3299 6.4392 6.4451 6.5048 6.5406 7.0217 7.0254 7.5576 7.5581 7.9040 7.9125 8.0432 8.0486 10.1925 10.2011 10.4053 10.4163 12.0473 12.0524 12.4202 12.4278 k = 0.1989-0.8072-1.4260 ( 5267 PWs) bands (ev): -2.8034 -2.7997 -1.9884 -1.9833 -1.6235 -1.6233 -1.0130 -1.0054 -0.7395 -0.7367 3.5510 3.5532 3.9696 3.9722 4.1319 4.1391 4.7123 4.7137 4.9074 4.9172 5.4041 5.4131 5.7717 5.7811 5.9335 5.9572 6.2652 6.2797 6.3783 6.3870 6.4589 6.4975 6.9673 6.9709 7.5134 7.5141 7.8923 7.9007 8.0115 8.0166 10.2035 10.2115 10.4213 10.4321 12.0631 12.0682 12.4373 12.4442 k = 0.2041-0.8285-1.4635 ( 5261 PWs) bands (ev): -2.7328 -2.7291 -1.9271 -1.9221 -1.5672 -1.5669 -1.0016 -0.9939 -0.7135 -0.7107 3.5312 3.5329 3.9065 3.9095 4.0862 4.0926 4.6670 4.6682 4.8595 4.8676 5.3619 5.3718 5.7847 5.7883 5.8972 5.9327 6.2079 6.2224 6.3233 6.3352 6.4162 6.4574 6.9141 6.9174 7.4670 7.4677 7.8751 7.8826 7.9862 7.9906 10.2163 10.2239 10.4405 10.4511 12.0803 12.0855 12.4533 12.4595 k = 0.2094-0.8497-1.5010 ( 5261 PWs) bands (ev): -2.6617 -2.6580 -1.8658 -1.8608 -1.5127 -1.5124 -0.9894 -0.9816 -0.6892 -0.6863 3.5035 3.5045 3.8450 3.8484 4.0446 4.0498 4.6241 4.6253 4.8183 4.8248 5.3227 5.3330 5.7422 5.7457 5.9198 5.9557 6.1446 6.1582 6.2753 6.2898 6.3767 6.4201 6.8624 6.8656 7.4181 7.4190 7.8526 7.8586 7.9667 7.9702 10.2312 10.2385 10.4630 10.4733 12.0991 12.1043 12.4681 12.4737 k = 0.2146-0.8710-1.5385 ( 5261 PWs) bands (ev): -2.5903 -2.5866 -1.8047 -1.7998 -1.4604 -1.4601 -0.9762 -0.9682 -0.6667 -0.6637 3.4692 3.4701 3.7854 3.7892 4.0061 4.0100 4.5795 4.5810 4.7888 4.7941 5.2853 5.2958 5.6782 5.6806 5.9649 5.9993 6.0771 6.0893 6.2334 6.2497 6.3402 6.3858 6.8128 6.8160 7.3669 7.3681 7.8262 7.8305 7.9504 7.9536 10.2484 10.2555 10.4887 10.4988 12.1194 12.1248 12.4815 12.4866 k = 0.2198-0.8922-1.5761 ( 5265 PWs) bands (ev): -2.5188 -2.5150 -1.7439 -1.7390 -1.4109 -1.4105 -0.9619 -0.9538 -0.6462 -0.6431 3.4300 3.4317 3.7281 3.7323 3.9698 3.9726 4.5306 4.5323 4.7734 4.7778 5.2488 5.2596 5.6078 5.6114 5.9992 6.0152 6.0216 6.0495 6.1962 6.2135 6.3068 6.3545 6.7659 6.7689 7.3139 7.3153 7.7975 7.8003 7.9355 7.9388 10.2681 10.2752 10.5177 10.5276 12.1413 12.1468 12.4937 12.4982 k = 0.2251-0.9134-1.6136 ( 5273 PWs) bands (ev): -2.4472 -2.4435 -1.6837 -1.6789 -1.3643 -1.3638 -0.9465 -0.9383 -0.6277 -0.6244 3.3882 3.3908 3.6734 3.6779 3.9355 3.9373 4.4778 4.4796 4.7709 4.7749 5.2129 5.2241 5.5361 5.5412 5.9326 5.9439 6.0603 6.0977 6.1638 6.1813 6.2763 6.3263 6.7221 6.7250 7.2592 7.2609 7.7676 7.7692 7.9205 7.9243 10.2905 10.2977 10.5499 10.5595 12.1647 12.1705 12.5044 12.5085 k = 0.2303-0.9347-1.6511 ( 5279 PWs) bands (ev): -2.3759 -2.3721 -1.6242 -1.6195 -1.3211 -1.3205 -0.9299 -0.9216 -0.6114 -0.6079 3.3458 3.3493 3.6215 3.6264 3.9028 3.9043 4.4230 4.4248 4.7774 4.7814 5.1775 5.1891 5.4649 5.4717 5.8605 5.8710 6.0906 6.1357 6.1462 6.1587 6.2490 6.3018 6.6821 6.6849 7.2034 7.2054 7.7370 7.7380 7.9050 7.9093 10.3158 10.3230 10.5853 10.5947 12.1896 12.1957 12.5139 12.5176 k = 0.2355-0.9559-1.6886 ( 5279 PWs) bands (ev): -2.3049 -2.3012 -1.5656 -1.5611 -1.2815 -1.2808 -0.9123 -0.9039 -0.5972 -0.5935 3.3039 3.3084 3.5727 3.5781 3.8720 3.8739 4.3684 4.3701 4.7886 4.7928 5.1424 5.1549 5.3958 5.4045 5.7889 5.7990 6.0843 6.1124 6.1680 6.1878 6.2253 6.2822 6.6468 6.6493 7.1470 7.1493 7.7060 7.7073 7.8887 7.8934 10.3439 10.3513 10.6236 10.6328 12.2158 12.2223 12.5221 12.5256 k = 0.2408-0.9772-1.7262 ( 5277 PWs) bands (ev): -2.2346 -2.2308 -1.5083 -1.5039 -1.2457 -1.2449 -0.8937 -0.8853 -0.5852 -0.5812 3.2639 3.2693 3.5273 3.5331 3.8435 3.8460 4.3153 4.3170 4.7999 4.8047 5.1075 5.1209 5.3307 5.3415 5.7193 5.7293 6.0611 6.0857 6.1875 6.2018 6.2280 6.2709 6.6172 6.6194 7.0905 7.0930 7.6751 7.6772 7.8713 7.8764 10.3750 10.3826 10.6648 10.6738 12.2432 12.2502 12.5293 12.5328 k = 0.2460-0.9984-1.7637 ( 5277 PWs) bands (ev): -2.1651 -2.1613 -1.4524 -1.4484 -1.2136 -1.2125 -0.8746 -0.8662 -0.5753 -0.5710 3.2267 3.2329 3.4854 3.4917 3.8177 3.8208 4.2651 4.2668 4.8067 4.8125 5.0718 5.0861 5.2727 5.2857 5.6534 5.6636 6.0359 6.0593 6.1795 6.1984 6.2560 6.2731 6.5946 6.5963 7.0342 7.0371 7.6450 7.6479 7.8531 7.8585 10.4090 10.4167 10.7087 10.7176 12.2715 12.2793 12.5356 12.5395 k = 0.2512-1.0197-1.8012 ( 5273 PWs) bands (ev): -2.0967 -2.0928 -1.3983 -1.3947 -1.1851 -1.1837 -0.8554 -0.8470 -0.5674 -0.5628 3.1927 3.2000 3.4472 3.4542 3.7945 3.7982 4.2186 4.2203 4.8050 4.8122 5.0330 5.0476 5.2253 5.2398 5.5940 5.6045 6.0109 6.0335 6.1627 6.1914 6.2743 6.2842 6.5802 6.5813 6.9788 6.9819 7.6160 7.6196 7.8341 7.8397 10.4458 10.4537 10.7552 10.7639 12.3005 12.3091 12.5414 12.5461 k = 0.2565-1.0409-1.8387 ( 5275 PWs) bands (ev): -2.0296 -2.0257 -1.3463 -1.3434 -1.1599 -1.1578 -0.8365 -0.8282 -0.5615 -0.5566 3.1627 3.1710 3.4130 3.4207 3.7741 3.7783 4.1764 4.1784 4.7925 4.8016 4.9886 5.0029 5.1892 5.2038 5.5454 5.5562 5.9861 6.0080 6.1472 6.1800 6.2828 6.2927 6.5741 6.5744 6.9246 6.9280 7.5885 7.5929 7.8144 7.8203 10.4852 10.4933 10.8041 10.8127 12.3299 12.3395 12.5471 12.5530 k = 0.2617-1.0621-1.8763 ( 5283 PWs) bands (ev): -1.9641 -1.9602 -1.2969 -1.2951 -1.1375 -1.1345 -0.8186 -0.8103 -0.5575 -0.5522 3.1370 3.1463 3.3829 3.3914 3.7563 3.7609 4.1391 4.1415 4.7693 4.7807 4.9387 4.9531 5.1583 5.1719 5.5132 5.5238 5.9614 5.9826 6.1333 6.1678 6.2836 6.2941 6.5742 6.5748 6.8721 6.8758 7.5630 7.5681 7.7944 7.8004 10.5271 10.5354 10.8551 10.8636 12.3591 12.3699 12.5533 12.5607 k = 0.2669-1.0834-1.9138 ( 5287 PWs) bands (ev): -1.9005 -1.8965 -1.2509 -1.2504 -1.1174 -1.1127 -0.8020 -0.7939 -0.5552 -0.5496 3.1157 3.1262 3.3570 3.3665 3.7409 3.7459 4.1070 4.1099 4.7370 4.7509 4.8863 4.9017 5.1238 5.1357 5.5017 5.5115 5.9365 5.9567 6.1207 6.1558 6.2789 6.2896 6.5779 6.5793 6.8218 6.8257 7.5400 7.5457 7.7743 7.7804 10.5714 10.5799 10.9082 10.9166 12.3875 12.3997 12.5606 12.5699 k = 0.2722-1.1046-1.9513 ( 5281 PWs) bands (ev): -1.8391 -1.8350 -1.2108 -1.2087 -1.0985 -1.0914 -0.7872 -0.7791 -0.5544 -0.5485 3.0990 3.1108 3.3354 3.3459 3.7276 3.7330 4.0804 4.0839 4.6977 4.7136 4.8348 4.8517 5.0811 5.0910 5.5106 5.5192 5.9109 5.9301 6.1094 6.1444 6.2711 6.2818 6.5824 6.5845 6.7742 6.7782 7.5198 7.5261 7.7542 7.7605 10.6178 10.6264 10.9633 10.9715 12.4145 12.4279 12.5694 12.5810 k = 0.2774-1.1259-1.9888 ( 5283 PWs) bands (ev): -1.7802 -1.7761 -1.1776 -1.1723 -1.0793 -1.0691 -0.7745 -0.7663 -0.5550 -0.5489 3.0869 3.1000 3.3181 3.3297 3.7164 3.7220 4.0589 4.0631 4.6536 4.6705 4.7868 4.8047 5.0309 5.0390 5.5353 5.5429 5.8847 5.9024 6.0994 6.1338 6.2622 6.2728 6.5852 6.5878 6.7296 6.7337 7.5029 7.5096 7.7345 7.7408 10.6660 10.6748 11.0200 11.0281 12.4393 12.4534 12.5774 12.5892 k = 0.2826-1.1471-2.0264 ( 5271 PWs) bands (ev): -1.7242 -1.7200 -1.1522 -1.1436 -1.0581 -1.0445 -0.7638 -0.7556 -0.5568 -0.5506 3.0792 3.0938 3.3052 3.3180 3.7071 3.7130 4.0423 4.0472 4.6071 4.6238 4.7432 4.7610 4.9764 4.9833 5.5701 5.5771 5.8579 5.8737 6.0905 6.1238 6.2534 6.2638 6.5846 6.5877 6.6886 6.6927 7.4893 7.4963 7.7155 7.7218 10.7157 10.7248 11.0784 11.0864 12.4612 12.4741 12.5495 12.5551 k = 0.2879-1.1684-2.0639 ( 5275 PWs) bands (ev): -1.6714 -1.6671 -1.1345 -1.1236 -1.0336 -1.0176 -0.7552 -0.7468 -0.5598 -0.5535 3.0757 3.0917 3.2964 3.3104 3.6997 3.7059 4.0295 4.0353 4.5607 4.5763 4.7031 4.7202 4.9211 4.9273 5.6099 5.6176 5.8307 5.8444 6.0828 6.1148 6.2455 6.2557 6.5799 6.5833 6.6515 6.6554 7.4791 7.4864 7.6973 7.7036 10.7666 10.7760 11.1384 11.1462 12.4707 12.4799 12.4948 12.5166 k = 0.2931-1.1896-2.1014 ( 5273 PWs) bands (ev): -1.6223 -1.6179 -1.1234 -1.1113 -1.0070 -0.9898 -0.7486 -0.7399 -0.5636 -0.5573 3.0759 3.0936 3.2915 3.3069 3.6944 3.7007 4.0195 4.0261 4.5168 4.5307 4.6652 4.6811 4.8682 4.8739 5.6494 5.6612 5.8038 5.8167 6.0767 6.1069 6.2385 6.2485 6.5707 6.5747 6.6184 6.6223 7.4721 7.4794 7.6802 7.6865 10.8184 10.8279 11.1997 11.2073 12.4107 12.4196 12.5003 12.5219 k = 0.2983-1.2108-2.1389 ( 5267 PWs) bands (ev): -1.5772 -1.5728 -1.1172 -1.1045 -0.9803 -0.9624 -0.7439 -0.7350 -0.5679 -0.5620 3.0794 3.0986 3.2902 3.3068 3.6911 3.6975 4.0109 4.0183 4.4775 4.4896 4.6280 4.6422 4.8207 4.8261 5.6796 5.7042 5.7767 5.7989 6.0724 6.1006 6.2323 6.2420 6.5578 6.5627 6.5890 6.5934 7.4680 7.4753 7.6646 7.6707 10.8704 10.8802 11.2624 11.2697 12.3262 12.3354 12.5157 12.5354 k = 0.3036-1.2321-2.1765 ( 5273 PWs) bands (ev): -1.5368 -1.5324 -1.1146 -1.1015 -0.9550 -0.9366 -0.7413 -0.7319 -0.5725 -0.5670 3.0856 3.1063 3.2919 3.3097 3.6900 3.6963 4.0024 4.0106 4.4446 4.4543 4.5905 4.6022 4.7817 4.7866 5.6868 5.7282 5.7654 5.8045 6.0708 6.0966 6.2262 6.2360 6.5429 6.5485 6.5627 6.5678 7.4663 7.4734 7.6505 7.6566 10.9220 10.9320 11.3264 11.3333 12.2302 12.2404 12.5289 12.5485 k = 0.3088-1.2533-2.2140 ( 5271 PWs) bands (ev): -1.5016 -1.4972 -1.1144 -1.1010 -0.9320 -0.9132 -0.7406 -0.7307 -0.5769 -0.5719 3.0937 3.1158 3.2958 3.3149 3.6908 3.6968 3.9931 4.0023 4.4188 4.4258 4.5529 4.5610 4.7533 4.7574 5.6717 5.7050 5.7973 5.8296 6.0730 6.0960 6.2198 6.2298 6.5281 6.5317 6.5410 6.5445 7.4664 7.4732 7.6383 7.6443 10.9723 10.9824 11.3915 11.3978 12.1280 12.1390 12.5349 12.5594 k = 0.3140-1.2746-2.2515 ( 5275 PWs) bands (ev): -1.4723 -1.4680 -1.1156 -1.1020 -0.9119 -0.8926 -0.7418 -0.7314 -0.5806 -0.5762 3.1027 3.1261 3.3011 3.3212 3.6932 3.6986 3.9829 3.9933 4.3994 4.4028 4.5171 4.5207 4.7361 4.7394 5.6479 5.6750 5.8309 5.8586 6.0802 6.1000 6.2125 6.2235 6.5094 6.5125 6.5253 6.5278 7.4680 7.4744 7.6283 7.6342 11.0196 11.0298 11.4578 11.4630 12.0243 12.0360 12.5262 12.5462 k = 0.3193-1.2958-2.2890 ( 5277 PWs) bands (ev): -1.4495 -1.4452 -1.1175 -1.1036 -0.8952 -0.8755 -0.7446 -0.7340 -0.5834 -0.5796 3.1117 3.1362 3.3066 3.3276 3.6969 3.7012 3.9729 3.9847 4.3824 4.3835 4.4856 4.4874 4.7297 4.7322 5.6223 5.6458 5.8576 5.8830 6.0930 6.1094 6.2045 6.2173 6.4858 6.4919 6.5153 6.5198 7.4703 7.4764 7.6209 7.6267 11.0616 11.0718 11.5249 11.5283 11.9236 11.9365 12.5101 12.5229 k = 0.3245-1.3171-2.3266 ( 5281 PWs) bands (ev): -1.4337 -1.4295 -1.1191 -1.1050 -0.8827 -0.8625 -0.7483 -0.7375 -0.5850 -0.5816 3.1196 3.1449 3.3109 3.3326 3.7011 3.7040 3.9646 3.9780 4.3616 4.3664 4.4616 4.4682 4.7335 4.7355 5.5978 5.6188 5.8761 5.8998 6.1090 6.1230 6.1974 6.2133 6.4629 6.4697 6.5116 6.5160 7.4729 7.4787 7.6165 7.6222 11.0943 11.1043 11.5918 11.5923 11.8316 11.8479 12.4932 12.5020 k = 0.3297-1.3383-2.3641 ( 5277 PWs) bands (ev): -1.4252 -1.4211 -1.1200 -1.1058 -0.8753 -0.8548 -0.7513 -0.7405 -0.5857 -0.5825 3.1250 3.1508 3.3128 3.3350 3.7053 3.7068 3.9597 3.9746 4.3403 4.3467 4.4510 4.4600 4.7469 4.7487 5.5758 5.5951 5.8869 5.9091 6.1211 6.1335 6.1979 6.2158 6.4415 6.4485 6.5121 6.5160 7.4754 7.4808 7.6156 7.6212 11.1110 11.1210 11.6463 11.6570 11.7585 11.7850 12.4772 12.4833 k = 0.3350-1.3595-2.4016 ( 5273 PWs) bands (ev): -1.4239 -1.4198 -1.1201 -1.1058 -0.8742 -0.8536 -0.7520 -0.7411 -0.5855 -0.5825 3.1267 3.1527 3.3114 3.3336 3.7081 3.7094 3.9596 3.9753 4.3229 4.3291 4.4499 4.4596 4.7696 4.7712 5.5575 5.5754 5.8919 5.9128 6.1218 6.1301 6.2149 6.2296 6.4226 6.4296 6.5161 6.5194 7.4773 7.4823 7.6187 7.6240 11.1033 11.1137 11.6651 11.6822 11.7499 11.7828 12.4626 12.4666 k = 0.6650-1.2988-2.3662 ( 5273 PWs) bands (ev): -1.4239 -1.4198 -1.1201 -1.1058 -0.8742 -0.8536 -0.7520 -0.7411 -0.5855 -0.5825 3.1267 3.1527 3.3114 3.3336 3.7081 3.7094 3.9596 3.9753 4.3229 4.3291 4.4499 4.4596 4.7696 4.7712 5.5575 5.5754 5.8919 5.9128 6.1218 6.1301 6.2149 6.2296 6.4226 6.4296 6.5161 6.5194 7.4773 7.4823 7.6187 7.6240 11.1033 11.1137 11.6651 11.6822 11.7499 11.7828 12.4626 12.4666 k = 0.6599-1.2564-2.3662 ( 5273 PWs) bands (ev): -1.4290 -1.4248 -1.1198 -1.1056 -0.8795 -0.8593 -0.7494 -0.7384 -0.5850 -0.5818 3.1236 3.1493 3.3066 3.3281 3.7078 3.7107 3.9654 3.9807 4.3140 4.3199 4.4534 4.4629 4.8007 4.8022 5.5438 5.5608 5.8929 5.9128 6.1117 6.1157 6.2422 6.2524 6.4071 6.4142 6.5228 6.5258 7.4785 7.4829 7.6260 7.6308 11.0662 11.0777 11.6594 11.6693 11.8110 11.8334 12.4494 12.4521 k = 0.6547-1.2139-2.3662 ( 5273 PWs) bands (ev): -1.4396 -1.4354 -1.1197 -1.1058 -0.8903 -0.8707 -0.7436 -0.7325 -0.5843 -0.5809 3.1148 3.1397 3.2987 3.3190 3.7029 3.7079 3.9786 3.9918 4.3161 4.3221 4.4582 4.4674 4.8401 4.8415 5.5350 5.5512 5.8914 5.9107 6.0950 6.0966 6.2713 6.2787 6.3952 6.4032 6.5320 6.5351 7.4788 7.4825 7.6377 7.6420 11.0022 11.0146 11.6670 11.6782 11.8794 11.8974 12.4371 12.4399 k = 0.6496-1.1714-2.3662 ( 5279 PWs) bands (ev): -1.4546 -1.4504 -1.1207 -1.1071 -0.9050 -0.8861 -0.7357 -0.7245 -0.5837 -0.5800 3.0998 3.1233 3.2888 3.3073 3.6909 3.6986 4.0007 4.0107 4.3300 4.3364 4.4631 4.4719 4.8872 4.8887 5.5312 5.5467 5.8884 5.9073 6.0741 6.0763 6.2962 6.3045 6.3883 6.3987 6.5437 6.5471 7.4782 7.4813 7.6538 7.6574 10.9190 10.9320 11.6922 11.7056 11.9484 11.9643 12.4257 12.4302 k = 0.6444-1.1289-2.3662 ( 5281 PWs) bands (ev): -1.4732 -1.4689 -1.1234 -1.1104 -0.9220 -0.9038 -0.7264 -0.7155 -0.5832 -0.5792 3.0786 3.1003 3.2777 3.2940 3.6710 3.6812 4.0321 4.0388 4.3539 4.3606 4.4688 4.4767 4.9415 4.9430 5.5322 5.5471 5.8845 5.9032 6.0521 6.0556 6.3127 6.3241 6.3899 6.4032 6.5583 6.5620 7.4768 7.4795 7.6742 7.6772 10.8242 10.8375 11.7293 11.7443 12.0165 12.0309 12.4152 12.4224 k = 0.6392-1.0864-2.3662 ( 5285 PWs) bands (ev): -1.4944 -1.4901 -1.1285 -1.1163 -0.9398 -0.9226 -0.7168 -0.7063 -0.5829 -0.5783 3.0516 3.0712 3.2661 3.2799 3.6441 3.6560 4.0715 4.0757 4.3834 4.3891 4.4793 4.4852 5.0021 5.0037 5.5373 5.5516 5.8801 5.8985 6.0312 6.0357 6.3198 6.3319 6.4035 6.4169 6.5761 6.5802 7.4747 7.4773 7.6984 7.7011 10.7230 10.7363 11.7731 11.7894 12.0817 12.0947 12.4053 12.4159 k = 0.6341-1.0439-2.3662 ( 5291 PWs) bands (ev): -1.5176 -1.5132 -1.1366 -1.1254 -0.9575 -0.9415 -0.7075 -0.6976 -0.5824 -0.5774 3.0198 3.0375 3.2540 3.2656 3.6116 3.6246 4.1161 4.1188 4.4090 4.4130 4.5033 4.5062 5.0680 5.0698 5.5454 5.5590 5.8757 5.8932 6.0130 6.0183 6.3202 6.3311 6.4250 6.4361 6.5980 6.6020 7.4721 7.4748 7.7264 7.7288 10.6184 10.6316 11.8201 11.8373 12.1400 12.1510 12.3948 12.4095 k = 0.6289-1.0014-2.3662 ( 5289 PWs) bands (ev): -1.5421 -1.5378 -1.1477 -1.1379 -0.9743 -0.9597 -0.6992 -0.6901 -0.5816 -0.5760 2.9844 3.0003 3.2415 3.2512 3.5754 3.5890 4.1610 4.1636 4.4239 4.4302 4.5437 4.5489 5.1382 5.1403 5.5551 5.5677 5.8716 5.8876 5.9989 6.0053 6.3169 6.3265 6.4485 6.4572 6.6245 6.6283 7.4691 7.4721 7.7577 7.7600 10.5123 10.5255 11.8675 11.8855 12.1823 12.1901 12.3857 12.4026 k = 0.6238-0.9590-2.3662 ( 5295 PWs) bands (ev): -1.5675 -1.5633 -1.1620 -1.1537 -0.9899 -0.9770 -0.6924 -0.6842 -0.5801 -0.5738 2.9464 2.9607 3.2287 3.2367 3.5370 3.5508 4.1997 4.2030 4.4391 4.4481 4.5985 4.6060 5.2113 5.2139 5.5645 5.5757 5.8689 5.8824 5.9897 5.9982 6.3115 6.3201 6.4715 6.4782 6.6563 6.6597 7.4658 7.4692 7.7920 7.7943 10.4059 10.4191 11.9133 11.9319 12.1926 12.1959 12.3909 12.4050 k = 0.6186-0.9165-2.3662 ( 5295 PWs) bands (ev): -1.5935 -1.5893 -1.1791 -1.1725 -1.0043 -0.9930 -0.6876 -0.6805 -0.5774 -0.5704 2.9067 2.9196 3.2156 3.2221 3.4974 3.5112 4.2242 4.2281 4.4671 4.4778 4.6627 4.6713 5.2858 5.2892 5.5718 5.5811 5.8689 5.8798 5.9859 5.9980 6.3043 6.3125 6.4933 6.4983 6.6938 6.6966 7.4624 7.4661 7.8288 7.8314 10.3000 10.3131 11.9551 11.9742 12.1653 12.1674 12.4157 12.4241 k = 0.6135-0.8740-2.3662 ( 5287 PWs) bands (ev): -1.6197 -1.6156 -1.1987 -1.1936 -1.0175 -1.0079 -0.6853 -0.6791 -0.5733 -0.5657 2.8662 2.8779 3.2022 3.2076 3.4575 3.4711 4.2311 4.2351 4.5131 4.5242 4.7332 4.7423 5.3595 5.3645 5.5755 5.5825 5.8728 5.8827 5.9875 6.0046 6.2959 6.3039 6.5138 6.5175 6.7372 6.7396 7.4589 7.4628 7.8677 7.8707 10.1948 10.2079 11.9896 12.0096 12.1158 12.1220 12.4491 12.4528 k = 0.6083-0.8315-2.3662 ( 5285 PWs) bands (ev): -1.6459 -1.6419 -1.2201 -1.2164 -1.0300 -1.0219 -0.6854 -0.6800 -0.5677 -0.5597 2.8253 2.8360 3.1887 3.1931 3.4178 3.4312 4.2238 4.2275 4.5735 4.5839 4.8082 4.8173 5.4291 5.4379 5.5736 5.5810 5.8817 5.8940 5.9947 6.0175 6.2863 6.2945 6.5333 6.5361 6.7865 6.7885 7.4554 7.4596 7.9082 7.9117 10.0908 10.1040 12.0009 12.0234 12.0690 12.0860 12.4852 12.4875 k = 0.6031-0.7890-2.3662 ( 5273 PWs) bands (ev): -1.6717 -1.6679 -1.2429 -1.2403 -1.0420 -1.0351 -0.6877 -0.6831 -0.5609 -0.5526 2.7846 2.7944 3.1752 3.1787 3.3789 3.3920 4.2077 4.2110 4.6421 4.6516 4.8867 4.8955 5.4874 5.5073 5.5651 5.5836 5.8974 5.9142 6.0073 6.0365 6.2759 6.2847 6.5525 6.5547 6.8413 6.8432 7.4520 7.4563 7.9497 7.9539 9.9880 10.0013 11.9588 11.9724 12.0754 12.0917 12.5241 12.5279 k = 0.5980-0.7465-2.3662 ( 5267 PWs) bands (ev): -1.6972 -1.6934 -1.2665 -1.2648 -1.0536 -1.0477 -0.6919 -0.6878 -0.5531 -0.5448 2.7445 2.7535 3.1618 3.1646 3.3411 3.3538 4.1863 4.1895 4.7145 4.7229 4.9676 4.9759 5.5163 5.5487 5.5739 5.6063 5.9207 5.9423 6.0251 6.0611 6.2651 6.2751 6.5725 6.5744 6.9011 6.9030 7.4489 7.4533 7.9918 7.9968 9.8866 9.9002 11.8915 11.9006 12.0961 12.1106 12.5670 12.5723 k = 0.5928-0.7040-2.3662 ( 5269 PWs) bands (ev): -1.7220 -1.7184 -1.2905 -1.2894 -1.0649 -1.0599 -0.6976 -0.6939 -0.5448 -0.5366 2.7053 2.7135 3.1485 3.1506 3.3046 3.3170 4.1621 4.1650 4.7877 4.7948 5.0501 5.0578 5.5144 5.5327 5.6305 5.6499 5.9510 5.9767 6.0477 6.0905 6.2544 6.2663 6.5949 6.5966 6.9651 6.9671 7.4462 7.4508 8.0339 8.0397 9.7866 9.8005 11.8165 11.8235 12.1157 12.1288 12.6131 12.6196 k = 0.5877-0.6616-2.3662 ( 5267 PWs) bands (ev): -1.7461 -1.7426 -1.3145 -1.3137 -1.0759 -1.0717 -0.7043 -0.7009 -0.5363 -0.5282 2.6672 2.6748 3.1355 3.1369 3.2698 3.2818 4.1364 4.1391 4.8594 4.8652 5.1331 5.1402 5.5012 5.5138 5.6820 5.6965 5.9870 6.0151 6.0738 6.1227 6.2450 6.2596 6.6214 6.6230 7.0321 7.0346 7.4444 7.4491 8.0754 8.0823 9.6880 9.7023 11.7371 11.7429 12.1332 12.1448 12.6612 12.6685 k = 0.5825-0.6191-2.3662 ( 5271 PWs) bands (ev): -1.7692 -1.7660 -1.3383 -1.3375 -1.0868 -1.0831 -0.7117 -0.7086 -0.5277 -0.5199 2.6305 2.6374 3.1226 3.1235 3.2368 3.2485 4.1101 4.1125 4.9277 4.9325 5.2152 5.2220 5.4843 5.4942 5.7289 5.7410 6.0267 6.0550 6.1008 6.1532 6.2395 6.2567 6.6542 6.6559 7.1008 7.1037 7.4443 7.4493 8.1159 8.1238 9.5908 9.6056 11.6545 11.6594 12.1486 12.1590 12.7098 12.7176 k = 0.5774-0.5766-2.3662 ( 5273 PWs) bands (ev): -1.7915 -1.7884 -1.3615 -1.3606 -1.0974 -1.0942 -0.7196 -0.7167 -0.5193 -0.5118 2.5953 2.6017 3.1099 3.1104 3.2059 3.2172 4.0837 4.0860 4.9910 4.9952 5.2948 5.3018 5.4666 5.4750 5.7737 5.7844 6.0679 6.0927 6.1268 6.1744 6.2437 6.2592 6.6952 6.6971 7.1687 7.1722 7.4476 7.4528 8.1546 8.1637 9.4950 9.5105 11.5695 11.5738 12.1624 12.1717 12.7576 12.7656 k = 0.5722-0.5341-2.3662 ( 5271 PWs) bands (ev): -1.8126 -1.8097 -1.3839 -1.3828 -1.1077 -1.1050 -0.7277 -0.7251 -0.5113 -0.5041 2.5618 2.5676 3.0969 3.0976 3.1774 3.1883 4.0578 4.0600 5.0481 5.0524 5.3693 5.3774 5.4495 5.4577 5.8191 5.8289 6.1049 6.1200 6.1576 6.1843 6.2610 6.2676 6.7454 6.7480 7.2319 7.2362 7.4576 7.4630 8.1912 8.2016 9.4006 9.4168 11.4827 11.4864 12.1748 12.1829 12.8037 12.8114 k = 0.5670-0.4916-2.3662 ( 5277 PWs) bands (ev): -1.8326 -1.8298 -1.4053 -1.4040 -1.1177 -1.1153 -0.7359 -0.7335 -0.5036 -0.4968 2.5301 2.5354 3.0835 3.0848 3.1516 3.1621 4.0328 4.0347 5.0982 5.1028 5.4215 5.4348 5.4457 5.4589 5.8673 5.8767 6.1199 6.1406 6.1863 6.2086 6.2802 6.2855 6.8044 6.8080 7.2841 7.2891 7.4800 7.4858 8.2250 8.2368 9.3074 9.3246 11.3949 11.3981 12.1858 12.1929 12.8471 12.8543 k = 0.5619-0.4491-2.3662 ( 5279 PWs) bands (ev): -1.8513 -1.8488 -1.4255 -1.4242 -1.1272 -1.1251 -0.7440 -0.7418 -0.4964 -0.4901 2.5004 2.5052 3.0696 3.0715 3.1292 3.1390 4.0088 4.0106 5.1406 5.1455 5.4157 5.4223 5.5061 5.5134 5.9198 5.9293 6.1201 6.1441 6.2144 6.2493 6.2990 6.3147 6.8704 6.8754 7.3198 7.3250 7.5204 7.5266 8.2556 8.2689 9.2156 9.2340 11.3067 11.3096 12.1953 12.2016 12.8871 12.8935 k = 0.5567-0.4067-2.3662 ( 5285 PWs) bands (ev): -1.8688 -1.8664 -1.4444 -1.4431 -1.1362 -1.1344 -0.7519 -0.7499 -0.4897 -0.4838 2.4727 2.4770 3.0551 3.0573 3.1104 3.1193 3.9861 3.9878 5.1749 5.1797 5.4054 5.4117 5.5599 5.5666 5.9765 5.9870 6.1157 6.1381 6.2404 6.2764 6.3359 6.3528 6.9402 6.9469 7.3409 7.3462 7.5768 7.5839 8.2825 8.2973 9.1251 9.1449 11.2193 11.2218 12.2033 12.2087 12.9233 12.9289 k = 0.5516-0.3642-2.3662 ( 5281 PWs) bands (ev): -1.8849 -1.8827 -1.4619 -1.4606 -1.1447 -1.1431 -0.7594 -0.7576 -0.4835 -0.4781 2.4471 2.4510 3.0398 3.0423 3.0953 3.1030 3.9649 3.9665 5.2007 5.2050 5.3984 5.4048 5.6060 5.6120 6.0352 6.0479 6.1099 6.1302 6.2581 6.2892 6.3895 6.4012 7.0097 7.0182 7.3560 7.3611 7.6416 7.6504 8.3053 8.3216 9.0361 9.0575 11.1336 11.1358 12.2097 12.2143 12.9555 12.9604 k = 0.5464-0.3217-2.3662 ( 5283 PWs) bands (ev): -1.8996 -1.8976 -1.4780 -1.4767 -1.1526 -1.1512 -0.7665 -0.7648 -0.4779 -0.4730 2.4238 2.4273 3.0244 3.0269 3.0833 3.0898 3.9454 3.9468 5.2181 5.2216 5.3956 5.4023 5.6450 5.6502 6.0892 6.0971 6.1152 6.1244 6.2715 6.2997 6.4492 6.4570 7.0731 7.0831 7.3740 7.3786 7.7091 7.7204 8.3236 8.3412 8.9487 8.9720 11.0507 11.0527 12.2143 12.2182 12.9832 12.9881 k = 0.5413-0.2792-2.3662 ( 5279 PWs) bands (ev): -1.9128 -1.9111 -1.4925 -1.4913 -1.1598 -1.1586 -0.7730 -0.7715 -0.4729 -0.4685 2.4027 2.4058 3.0093 3.0119 3.0738 3.0791 3.9277 3.9289 5.2278 5.2304 5.3970 5.4037 5.6780 5.6824 6.0930 6.1073 6.1488 6.1632 6.2892 6.3153 6.5112 6.5168 7.1231 7.1335 7.4034 7.4069 7.7757 7.7904 8.3372 8.3558 8.8634 8.8888 10.9718 10.9735 12.2171 12.2203 13.0060 13.0119 k = 0.5361-0.2367-2.3662 ( 5273 PWs) bands (ev): -1.9246 -1.9230 -1.5055 -1.5044 -1.1662 -1.1652 -0.7790 -0.7776 -0.4684 -0.4645 2.3840 2.3867 2.9953 2.9977 3.0662 3.0705 3.9118 3.9129 5.2316 5.2335 5.4014 5.4079 5.7061 5.7098 6.0866 6.1008 6.1819 6.1957 6.3215 6.3422 6.5737 6.5784 7.1539 7.1632 7.4488 7.4533 7.8387 7.8581 8.3459 8.3649 8.7806 8.8083 10.8981 10.8996 12.2181 12.2207 13.0218 13.0313 k = 0.5309-0.1942-2.3662 ( 5272 PWs) bands (ev): -1.9348 -1.9335 -1.5168 -1.5158 -1.1719 -1.1711 -0.7842 -0.7831 -0.4645 -0.4612 2.3678 2.3700 2.9827 2.9849 3.0601 3.0635 3.8979 3.8988 5.2315 5.2329 5.4073 5.4134 5.7300 5.7332 6.0805 6.0935 6.1995 6.2085 6.3677 6.3811 6.6355 6.6401 7.1658 7.1736 7.5082 7.5169 7.8960 7.9215 8.3500 8.3681 8.7016 8.7313 10.8309 10.8322 12.2175 12.2196 13.0250 13.0400 k = 0.5258-0.1517-2.3662 ( 5256 PWs) bands (ev): -1.9435 -1.9424 -1.5264 -1.5256 -1.1768 -1.1761 -0.7887 -0.7878 -0.4612 -0.4584 2.3539 2.3558 2.9718 2.9738 3.0551 3.0579 3.8860 3.8868 5.2294 5.2304 5.4136 5.4190 5.7502 5.7530 6.0751 6.0866 6.2060 6.2111 6.4171 6.4250 6.6954 6.7002 7.1638 7.1703 7.5767 7.5904 7.9447 7.9784 8.3504 8.3652 8.6279 8.6587 10.7715 10.7725 12.2158 12.2173 13.0080 13.0194 k = 0.5206-0.1093-2.3662 ( 5252 PWs) bands (ev): -1.9506 -1.9497 -1.5343 -1.5336 -1.1808 -1.1803 -0.7924 -0.7917 -0.4584 -0.4562 2.3426 2.3440 2.9628 2.9644 3.0512 3.0534 3.8762 3.8769 5.2264 5.2271 5.4195 5.4240 5.7670 5.7695 6.0706 6.0803 6.2070 6.2097 6.4625 6.4669 6.7523 6.7572 7.1529 7.1584 7.6490 7.6681 7.9813 8.0251 8.3489 8.3571 8.5621 8.5917 10.7209 10.7218 12.2132 12.2143 12.9780 12.9836 k = 0.5155-0.0668-2.3662 ( 5250 PWs) bands (ev): -1.9561 -1.9555 -1.5404 -1.5399 -1.1840 -1.1836 -0.7954 -0.7948 -0.4562 -0.4545 2.3338 2.3349 2.9557 2.9570 3.0484 3.0499 3.8686 3.8691 5.2235 5.2240 5.4244 5.4279 5.7805 5.7824 6.0671 6.0748 6.2057 6.2070 6.5002 6.5026 6.8042 6.8089 7.1365 7.1413 7.7211 7.7458 8.0018 8.0556 8.3459 8.3508 8.5067 8.5314 10.6804 10.6810 12.2104 12.2112 12.9480 12.9507 k = 0.5103-0.0243-2.3662 ( 5244 PWs) bands (ev): -1.9601 -1.9596 -1.5448 -1.5445 -1.1862 -1.1859 -0.7974 -0.7971 -0.4546 -0.4534 2.3275 2.3282 2.9507 2.9516 3.0464 3.0474 3.8632 3.8635 5.2212 5.2215 5.4282 5.4305 5.7904 5.7918 6.0650 6.0703 6.2038 6.2044 6.5283 6.5294 6.8485 6.8525 7.1183 7.1221 7.7897 7.8193 8.0038 8.0614 8.3439 8.3559 8.4628 8.4789 10.6507 10.6512 12.2079 12.2084 12.9243 12.9256 k = 0.5052 0.0182-2.3662 ( 5246 PWs) bands (ev): -1.9624 -1.9622 -1.5474 -1.5473 -1.1875 -1.1874 -0.7987 -0.7985 -0.4535 -0.4529 2.3238 2.3242 2.9478 2.9482 3.0453 3.0458 3.8599 3.8601 5.2197 5.2198 5.4307 5.4319 5.7966 5.7974 6.0642 6.0669 6.2024 6.2026 6.5455 6.5460 6.8805 6.8830 7.1030 7.1053 7.8500 7.8784 7.9940 8.0397 8.3555 8.3674 8.4294 8.4358 10.6327 10.6329 12.2062 12.2064 12.9095 12.9100 k = 0.5000 0.0607-2.3662 ( 5250 PWs) bands (ev): -1.9631 -1.9631 -1.5482 -1.5482 -1.1879 -1.1879 -0.7990 -0.7990 -0.4529 -0.4529 2.3227 2.3227 2.9470 2.9470 3.0451 3.0451 3.8589 3.8589 5.2192 5.2192 5.4319 5.4319 5.7990 5.7990 6.0649 6.0649 6.2019 6.2019 6.5515 6.5515 6.8935 6.8935 7.0974 7.0974 7.8904 7.8904 8.0048 8.0048 8.3728 8.3728 8.4131 8.4131 10.6267 10.6267 12.2057 12.2057 12.9046 12.9046 k = 0.5000 0.0607-2.3662 ( 5250 PWs) bands (ev): -1.9631 -1.9631 -1.5482 -1.5482 -1.1879 -1.1879 -0.7990 -0.7990 -0.4529 -0.4529 2.3227 2.3227 2.9470 2.9470 3.0451 3.0451 3.8589 3.8589 5.2192 5.2192 5.4319 5.4319 5.7990 5.7990 6.0649 6.0649 6.2019 6.2019 6.5515 6.5515 6.8935 6.8935 7.0974 7.0974 7.8904 7.8904 8.0048 8.0048 8.3728 8.3728 8.4131 8.4131 10.6267 10.6267 12.2057 12.2057 12.9046 12.9046 k = 0.5413 0.0657-2.3574 ( 5250 PWs) bands (ev): -1.9634 -1.9634 -1.5471 -1.5470 -1.1901 -1.1900 -0.7977 -0.7975 -0.4533 -0.4532 2.3241 2.3241 2.9411 2.9451 3.0421 3.0467 3.8648 3.8654 5.2202 5.2202 5.4254 5.4257 5.7992 5.7992 6.0420 6.0463 6.2247 6.2294 6.5490 6.5490 6.8973 6.8973 7.0973 7.0984 7.8854 7.8855 7.9999 8.0000 8.3759 8.3767 8.4155 8.4159 10.6272 10.6272 12.2071 12.2073 12.8989 12.9006 k = 0.5825 0.0707-2.3485 ( 5249 PWs) bands (ev): -1.9643 -1.9642 -1.5437 -1.5435 -1.1963 -1.1961 -0.7937 -0.7932 -0.4544 -0.4542 2.3285 2.3285 2.9282 2.9352 3.0385 3.0465 3.8827 3.8839 5.2231 5.2232 5.4066 5.4071 5.7997 5.7997 6.0014 6.0069 6.2769 6.2832 6.5421 6.5421 6.9080 6.9081 7.0981 7.1003 7.8711 7.8712 7.9861 7.9863 8.3853 8.3869 8.4229 8.4236 10.6287 10.6287 12.2115 12.2119 12.8839 12.8870 k = 0.6238 0.0757-2.3397 ( 5251 PWs) bands (ev): -1.9658 -1.9656 -1.5380 -1.5378 -1.2061 -1.2059 -0.7874 -0.7867 -0.4560 -0.4558 2.3357 2.3357 2.9091 2.9174 3.0353 3.0450 3.9112 3.9128 5.2277 5.2280 5.3766 5.3774 5.8005 5.8006 5.9605 5.9660 6.3382 6.3451 6.5317 6.5317 6.9246 6.9247 7.0996 7.1028 7.8490 7.8491 7.9652 7.9654 8.3995 8.4017 8.4339 8.4349 10.6311 10.6311 12.2189 12.2194 12.8604 12.8646 k = 0.6650 0.0807-2.3309 ( 5261 PWs) bands (ev): -1.9676 -1.9674 -1.5304 -1.5301 -1.2189 -1.2186 -0.7794 -0.7786 -0.4583 -0.4580 2.3457 2.3457 2.8848 2.8933 3.0328 3.0427 3.9483 3.9502 5.2331 5.2337 5.3376 5.3388 5.8016 5.8016 5.9237 5.9290 6.4016 6.4088 6.5192 6.5193 6.9455 6.9456 7.1016 7.1058 7.8212 7.8212 7.9394 7.9396 8.4164 8.4191 8.4472 8.4486 10.6342 10.6342 12.2288 12.2294 12.8299 12.8345 k = 0.6650 0.0807-2.3309 ( 5261 PWs) bands (ev): -1.9676 -1.9674 -1.5304 -1.5301 -1.2189 -1.2186 -0.7794 -0.7786 -0.4583 -0.4580 2.3457 2.3457 2.8848 2.8933 3.0328 3.0427 3.9483 3.9502 5.2331 5.2337 5.3376 5.3388 5.8016 5.8016 5.9237 5.9290 6.4016 6.4088 6.5192 6.5193 6.9455 6.9456 7.1016 7.1058 7.8212 7.8212 7.9394 7.9396 8.4164 8.4191 8.4472 8.4486 10.6342 10.6342 12.2288 12.2294 12.8299 12.8345 k = 0.6620 0.0804-2.2878 ( 5258 PWs) bands (ev): -1.9782 -1.9776 -1.5273 -1.5268 -1.2310 -1.2309 -0.7755 -0.7746 -0.4625 -0.4625 2.3514 2.3518 2.8917 2.8998 3.0432 3.0533 3.9568 3.9586 5.2167 5.2171 5.3393 5.3393 5.8035 5.8035 5.9080 5.9137 6.4434 6.4504 6.5187 6.5189 6.9505 6.9506 7.1008 7.1046 7.8005 7.8006 7.9337 7.9337 8.4214 8.4238 8.4553 8.4567 10.6371 10.6372 12.2371 12.2373 12.8386 12.8427 k = 0.6590 0.0800-2.2448 ( 5251 PWs) bands (ev): -1.9976 -1.9966 -1.5259 -1.5251 -1.2480 -1.2475 -0.7722 -0.7714 -0.4702 -0.4700 2.3657 2.3665 2.9046 2.9123 3.0596 3.0698 3.9725 3.9742 5.1858 5.1867 5.3489 5.3498 5.8070 5.8071 5.8957 5.9015 6.4853 6.4918 6.5199 6.5206 6.9568 6.9569 7.1022 7.1057 7.7799 7.7800 7.9272 7.9274 8.4270 8.4292 8.4644 8.4658 10.6423 10.6426 12.2446 12.2450 12.8475 12.8513 k = 0.6560 0.0796-2.2018 ( 5255 PWs) bands (ev): -2.0251 -2.0238 -1.5262 -1.5252 -1.2698 -1.2689 -0.7695 -0.7686 -0.4814 -0.4808 2.3886 2.3897 2.9232 2.9304 3.0818 3.0921 3.9948 3.9964 5.1479 5.1491 5.3615 5.3630 5.8123 5.8124 5.8862 5.8922 6.5171 6.5180 6.5325 6.5387 6.9644 6.9647 7.1056 7.1089 7.7602 7.7602 7.9203 7.9206 8.4333 8.4353 8.4743 8.4757 10.6497 10.6501 12.2511 12.2522 12.8563 12.8596 k = 0.6530 0.0793-2.1588 ( 5256 PWs) bands (ev): -2.0598 -2.0582 -1.5287 -1.5274 -1.2962 -1.2950 -0.7671 -0.7662 -0.4959 -0.4951 2.4198 2.4213 2.9474 2.9541 3.1099 3.1203 4.0232 4.0247 5.1070 5.1084 5.3739 5.3760 5.8192 5.8194 5.8795 5.8855 6.5227 6.5229 6.5719 6.5787 6.9735 6.9738 7.1108 7.1138 7.7420 7.7420 7.9129 7.9133 8.4403 8.4422 8.4848 8.4863 10.6594 10.6599 12.2566 12.2585 12.8646 12.8675 k = 0.6500 0.0789-2.1157 ( 5259 PWs) bands (ev): -2.1008 -2.0990 -1.5339 -1.5323 -1.3268 -1.3254 -0.7656 -0.7647 -0.5136 -0.5124 2.4589 2.4608 2.9770 2.9832 3.1440 3.1543 4.0568 4.0582 5.0655 5.0668 5.3848 5.3874 5.8276 5.8279 5.8756 5.8812 6.5274 6.5276 6.6122 6.6191 6.9838 6.9842 7.1171 7.1201 7.7265 7.7266 7.9050 7.9055 8.4480 8.4497 8.4959 8.4974 10.6711 10.6718 12.2606 12.2635 12.8721 12.8746 k = 0.6470 0.0785-2.0727 ( 5253 PWs) bands (ev): -2.1473 -2.1452 -1.5424 -1.5404 -1.3607 -1.3594 -0.7655 -0.7645 -0.5340 -0.5325 2.5055 2.5078 3.0118 3.0174 3.1840 3.1942 4.0946 4.0958 5.0250 5.0263 5.3934 5.3965 5.8373 5.8379 5.8745 5.8797 6.5330 6.5332 6.6510 6.6579 6.9955 6.9960 7.1240 7.1270 7.7148 7.7148 7.8967 7.8973 8.4564 8.4580 8.5075 8.5091 10.6850 10.6858 12.2626 12.2666 12.8783 12.8807 k = 0.6440 0.0782-2.0297 ( 5255 PWs) bands (ev): -2.1984 -2.1961 -1.5554 -1.5529 -1.3967 -1.3954 -0.7673 -0.7663 -0.5565 -0.5547 2.5591 2.5618 3.0517 3.0567 3.2296 3.2398 4.1350 4.1361 4.9872 4.9885 5.3992 5.4028 5.8478 5.8489 5.8769 5.8813 6.5398 6.5400 6.6874 6.6944 7.0085 7.0091 7.1308 7.1341 7.7078 7.7080 7.8881 7.8887 8.4656 8.4670 8.5198 8.5215 10.7008 10.7018 12.2621 12.2673 12.8820 12.8846 k = 0.6410 0.0778-1.9867 ( 5259 PWs) bands (ev): -2.2534 -2.2509 -1.5745 -1.5714 -1.4327 -1.4316 -0.7720 -0.7709 -0.5803 -0.5782 2.6190 2.6221 3.0965 3.1010 3.2809 3.2909 4.1763 4.1773 4.9542 4.9554 5.4020 5.4061 5.8587 5.8606 5.8833 5.8866 6.5476 6.5480 6.7206 6.7280 7.0228 7.0235 7.1370 7.1407 7.7067 7.7070 7.8791 7.8798 8.4754 8.4768 8.5326 8.5344 10.7185 10.7197 12.2582 12.2649 12.8677 12.8690 k = 0.6380 0.0774-1.9437 ( 5259 PWs) bands (ev): -2.3115 -2.3089 -1.6016 -1.5979 -1.4664 -1.4656 -0.7803 -0.7790 -0.6045 -0.6021 2.6847 2.6881 3.1461 3.1500 3.3374 3.3473 4.2163 4.2171 4.9281 4.9292 5.4019 5.4064 5.8696 5.8725 5.8940 5.8961 6.5566 6.5570 6.7499 6.7577 7.0383 7.0392 7.1425 7.1469 7.7122 7.7128 7.8698 7.8707 8.4860 8.4872 8.5461 8.5481 10.7380 10.7394 12.2505 12.2587 12.8153 12.8208 k = 0.6350 0.0771-1.9006 ( 5256 PWs) bands (ev): -2.3722 -2.3695 -1.6378 -1.6336 -1.4963 -1.4958 -0.7929 -0.7914 -0.6280 -0.6255 2.7553 2.7591 3.2002 3.2035 3.3987 3.4087 4.2522 4.2528 4.9116 4.9126 5.3991 5.4039 5.8810 5.8847 5.9083 5.9095 6.5667 6.5671 6.7746 6.7829 7.0551 7.0562 7.1476 7.1529 7.7246 7.7254 7.8605 7.8614 8.4973 8.4985 8.5603 8.5625 10.7593 10.7609 12.2383 12.2483 12.7554 12.7622 k = 0.6320 0.0767-1.8576 ( 5251 PWs) bands (ev): -2.4350 -2.4321 -1.6824 -1.6780 -1.5230 -1.5226 -0.8102 -0.8083 -0.6503 -0.6477 2.8302 2.8344 3.2585 3.2612 3.4646 3.4745 4.2814 4.2817 4.9075 4.9084 5.3942 5.3991 5.8936 5.8976 5.9252 5.9259 6.5778 6.5782 6.7939 6.8027 7.0731 7.0744 7.1534 7.1595 7.7436 7.7447 7.8515 7.8525 8.5094 8.5105 8.5753 8.5778 10.7821 10.7840 12.2214 12.2331 12.6911 12.6987 k = 0.6290 0.0764-1.8146 ( 5251 PWs) bands (ev): -2.4994 -2.4963 -1.7334 -1.7288 -1.5481 -1.5477 -0.8321 -0.8299 -0.6709 -0.6682 2.9086 2.9132 3.3204 3.3227 3.5344 3.5443 4.3018 4.3018 4.9178 4.9186 5.3879 5.3927 5.9075 5.9118 5.9441 5.9444 6.5899 6.5904 6.8074 6.8165 7.0923 7.0937 7.1611 7.1679 7.7678 7.7691 7.8438 7.8449 8.5222 8.5233 8.5912 8.5939 10.8065 10.8086 12.1994 12.2130 12.6234 12.6315 k = 0.6260 0.0760-1.7716 ( 5252 PWs) bands (ev): -2.5649 -2.5618 -1.7889 -1.7843 -1.5731 -1.5726 -0.8582 -0.8556 -0.6898 -0.6871 2.9896 2.9946 3.3856 3.3874 3.6075 3.6175 4.3128 4.3131 4.9431 4.9437 5.3813 5.3856 5.9223 5.9268 5.9644 5.9646 6.6030 6.6035 6.8151 6.8243 7.1126 7.1142 7.1719 7.1790 7.7924 7.7936 7.8414 7.8429 8.5358 8.5368 8.6081 8.6111 10.8323 10.8346 12.1726 12.1879 12.5526 12.5613 k = 0.6230 0.0756-1.7285 ( 5256 PWs) bands (ev): -2.6313 -2.6281 -1.8476 -1.8430 -1.5991 -1.5986 -0.8876 -0.8846 -0.7074 -0.7047 3.0722 3.0775 3.4532 3.4545 3.6831 3.6933 4.3168 4.3174 4.9820 4.9821 5.3755 5.3790 5.9378 5.9425 5.9859 5.9860 6.6170 6.6175 6.8177 6.8267 7.1341 7.1358 7.1865 7.1937 7.8032 7.8041 7.8577 7.8598 8.5501 8.5511 8.6261 8.6294 10.8595 10.8620 12.1412 12.1583 12.4795 12.4886 k = 0.6200 0.0753-1.6855 ( 5258 PWs) bands (ev): -2.6982 -2.6949 -1.9085 -1.9038 -1.6268 -1.6262 -0.9195 -0.9162 -0.7240 -0.7213 3.1550 3.1606 3.5225 3.5234 3.7602 3.7705 4.3176 4.3185 5.0309 5.0315 5.3719 5.3740 5.9533 5.9584 6.0085 6.0085 6.6319 6.6325 6.8163 6.8248 7.1567 7.1584 7.2053 7.2121 7.7995 7.8004 7.8926 7.8950 8.5652 8.5662 8.6452 8.6490 10.8878 10.8907 12.1059 12.1246 12.4043 12.4139 k = 0.6170 0.0749-1.6425 ( 5256 PWs) bands (ev): -2.7652 -2.7619 -1.9708 -1.9662 -1.6564 -1.6558 -0.9533 -0.9497 -0.7399 -0.7371 3.2361 3.2420 3.5928 3.5932 3.8372 3.8476 4.3202 4.3214 5.0861 5.0880 5.3722 5.3723 5.9687 5.9742 6.0318 6.0318 6.6477 6.6483 6.8124 6.8202 7.1804 7.1820 7.2281 7.2343 7.7921 7.7930 7.9342 7.9369 8.5811 8.5819 8.6658 8.6700 10.9174 10.9205 12.0672 12.0874 12.3276 12.3377 k = 0.6140 0.0745-1.5995 ( 5247 PWs) bands (ev): -2.8323 -2.8289 -2.0342 -2.0296 -1.6882 -1.6875 -0.9885 -0.9846 -0.7551 -0.7522 3.3129 3.3191 3.6632 3.6634 3.9124 3.9227 4.3301 4.3316 5.1433 5.1475 5.3755 5.3789 5.9840 5.9900 6.0557 6.0557 6.6644 6.6650 6.8075 6.8145 7.2049 7.2065 7.2546 7.2601 7.7842 7.7850 7.9788 7.9817 8.5976 8.5985 8.6879 8.6926 10.9479 10.9513 12.0258 12.0474 12.2498 12.2604 k = 0.6110 0.0742-1.5564 ( 5245 PWs) bands (ev): -2.8991 -2.8957 -2.0983 -2.0937 -1.7220 -1.7213 -1.0247 -1.0206 -0.7696 -0.7666 3.3819 3.3882 3.7332 3.7340 3.9841 3.9941 4.3529 4.3548 5.1980 5.2055 5.3865 5.3946 5.9997 6.0063 6.0799 6.0800 6.6820 6.6825 6.8030 6.8092 7.2304 7.2318 7.2847 7.2894 7.7766 7.7775 8.0246 8.0278 8.6149 8.6157 8.7119 8.7170 10.9794 10.9831 11.9822 12.0052 12.1714 12.1825 k = 0.6080 0.0738-1.5134 ( 5245 PWs) bands (ev): -2.9655 -2.9621 -2.1626 -2.1581 -1.7577 -1.7571 -1.0618 -1.0577 -0.7835 -0.7802 3.4388 3.4448 3.8037 3.8051 4.0517 4.0609 4.3923 4.3950 5.2461 5.2576 5.4081 5.4218 6.0169 6.0244 6.1043 6.1043 6.7004 6.7008 6.7999 6.8053 7.2565 7.2578 7.3182 7.3221 7.7701 7.7709 8.0704 8.0740 8.6328 8.6335 8.7378 8.7436 11.0117 11.0157 11.9370 11.9614 12.0928 12.1045 k = 0.6050 0.0734-1.4704 ( 5247 PWs) bands (ev): -3.0313 -3.0278 -2.2270 -2.2225 -1.7952 -1.7946 -1.0997 -1.0955 -0.7965 -0.7931 3.4796 3.4849 3.8758 3.8775 4.1168 4.1248 4.4487 4.4523 5.2872 5.3016 5.4406 5.4590 6.0377 6.0461 6.1284 6.1285 6.7197 6.7201 6.7989 6.8035 7.2832 7.2845 7.3551 7.3583 7.7648 7.7657 8.1156 8.1194 8.6513 8.6520 8.7661 8.7724 11.0447 11.0491 11.8906 11.9164 12.0144 12.0269 k = 0.6020 0.0731-1.4274 ( 5238 PWs) bands (ev): -3.0963 -3.0928 -2.2912 -2.2867 -1.8343 -1.8336 -1.1383 -1.1340 -0.8087 -0.8050 3.5023 3.5066 3.9501 3.9519 4.1821 4.1889 4.5190 4.5236 5.3253 5.3405 5.4795 5.5006 6.0646 6.0739 6.1520 6.1520 6.7401 6.7402 6.8004 6.8044 7.3102 7.3115 7.3953 7.3979 7.7613 7.7621 8.1592 8.1634 8.6704 8.6711 8.7969 8.8039 11.0783 11.0830 11.8431 11.8705 11.9370 11.9503 k = 0.5990 0.0727-1.3844 ( 5244 PWs) bands (ev): -3.1604 -3.1569 -2.3550 -2.3506 -1.8746 -1.8739 -1.1774 -1.1732 -0.8200 -0.8161 3.5077 3.5108 4.0258 4.0274 4.2496 4.2555 4.5990 4.6044 5.3654 5.3803 5.5176 5.5402 6.1001 6.1100 6.1748 6.1748 6.7613 6.7614 6.8047 6.8084 7.3374 7.3388 7.4386 7.4408 7.7600 7.7607 8.2008 8.2054 8.6900 8.6906 8.8305 8.8381 11.1122 11.1174 11.7942 11.8227 11.8621 11.8757 k = 0.5960 0.0723-1.3413 ( 5241 PWs) bands (ev): -3.2235 -3.2200 -2.4182 -2.4138 -1.9159 -1.9152 -1.2171 -1.2129 -0.8304 -0.8263 3.4987 3.5008 4.1007 4.1023 4.3201 4.3256 4.6849 4.6908 5.4114 5.4255 5.5504 5.5735 6.1457 6.1557 6.1965 6.1967 6.7832 6.7838 6.8121 6.8157 7.3647 7.3661 7.4850 7.4868 7.7611 7.7618 8.2401 8.2450 8.7100 8.7107 8.8670 8.8751 11.1464 11.1520 11.7429 11.7674 11.7959 11.8049 k = 0.5930 0.0720-1.2983 ( 5243 PWs) bands (ev): -3.2854 -3.2819 -2.4807 -2.4764 -1.9579 -1.9573 -1.2571 -1.2530 -0.8400 -0.8356 3.4788 3.4799 4.1725 4.1738 4.3931 4.3985 4.7742 4.7802 5.4652 5.4785 5.5771 5.6002 6.1988 6.2057 6.2196 6.2228 6.8059 6.8071 6.8232 6.8271 7.3918 7.3933 7.5340 7.5357 7.7652 7.7658 8.2768 8.2820 8.7305 8.7311 8.9065 8.9151 11.1806 11.1867 11.6865 11.6992 11.7411 11.7446 k = 0.5900 0.0716-1.2553 ( 5245 PWs) bands (ev): -3.3460 -3.3426 -2.5423 -2.5381 -2.0004 -1.9998 -1.2975 -1.2935 -0.8487 -0.8441 3.4509 3.4512 4.2389 4.2402 4.4671 4.4729 4.8651 4.8708 5.5264 5.5382 5.6018 5.6237 6.2298 6.2303 6.2714 6.2805 6.8286 6.8306 6.8395 6.8438 7.4185 7.4201 7.5853 7.5869 7.7726 7.7731 8.3109 8.3164 8.7513 8.7519 8.9489 8.9580 11.2145 11.2213 11.6235 11.6274 11.6860 11.6992 k = 0.5870 0.0713-1.2123 ( 5246 PWs) bands (ev): -3.4053 -3.4019 -2.6029 -2.5987 -2.0432 -2.0425 -1.3380 -1.3341 -0.8567 -0.8519 3.4171 3.4174 4.2988 4.3002 4.5400 4.5464 4.9571 4.9620 5.5870 5.5900 5.6423 5.6555 6.2460 6.2461 6.3411 6.3501 6.8521 6.8535 6.8628 6.8663 7.4446 7.4464 7.6384 7.6399 7.7836 7.7840 8.3429 8.3486 8.7725 8.7730 8.9940 9.0035 11.2478 11.2554 11.5562 11.5568 11.6373 11.6560 k = 0.5840 0.0709-1.1692 ( 5258 PWs) bands (ev): -3.4632 -3.4598 -2.6623 -2.6582 -2.0859 -2.0852 -1.3785 -1.3747 -0.8640 -0.8591 3.3790 3.3799 4.3521 4.3536 4.6087 4.6157 5.0499 5.0536 5.6189 5.6275 5.7173 5.7181 6.2587 6.2588 6.4139 6.4223 6.8794 6.8801 6.8904 6.8931 7.4700 7.4720 7.6923 7.6939 7.7985 7.7989 8.3731 8.3789 8.7938 8.7944 9.0416 9.0514 11.2802 11.2888 11.4866 11.4896 11.5921 11.6145 k = 0.5810 0.0705-1.1262 ( 5256 PWs) bands (ev): -3.5195 -3.5162 -2.7205 -2.7165 -2.1284 -2.1277 -1.4188 -1.4152 -0.8707 -0.8656 3.3383 3.3396 4.3993 4.4009 4.6701 4.6777 5.1436 5.1456 5.6450 5.6562 5.8061 5.8090 6.2684 6.2685 6.4853 6.4929 6.9129 6.9133 6.9219 6.9241 7.4947 7.4969 7.7464 7.7481 7.8175 7.8178 8.4022 8.4081 8.8153 8.8159 9.0914 9.1015 11.3109 11.3210 11.4191 11.4234 11.5491 11.5746 k = 0.5780 0.0702-1.0832 ( 5250 PWs) bands (ev): -3.5743 -3.5710 -2.7773 -2.7734 -2.1705 -2.1698 -1.4590 -1.4555 -0.8769 -0.8717 3.2958 3.2975 4.4410 4.4428 4.7215 4.7293 5.2384 5.2385 5.6775 5.6880 5.9060 5.9101 6.2752 6.2753 6.5520 6.5589 6.9473 6.9477 6.9649 6.9661 7.5187 7.5210 7.7996 7.8014 7.8405 7.8408 8.4310 8.4369 8.8369 8.8374 9.1432 9.1534 11.3355 11.3476 11.3578 11.3631 11.5081 11.5369 k = 0.5750 0.0698-1.0402 ( 5255 PWs) bands (ev): -3.6274 -3.6242 -2.8327 -2.8289 -2.2121 -2.2114 -1.4987 -1.4953 -0.8827 -0.8774 3.2522 3.2543 4.4782 4.4803 4.7610 4.7685 5.3324 5.3342 5.7192 5.7279 6.0129 6.0176 6.2790 6.2792 6.6125 6.6183 6.9798 6.9805 7.0232 7.0238 7.5422 7.5446 7.8505 7.8526 7.8678 7.8682 8.4603 8.4661 8.8585 8.8590 9.1966 9.2070 11.2877 11.2945 11.3671 11.3822 11.4692 11.5026 k = 0.5720 0.0694-0.9972 ( 5245 PWs) bands (ev): -3.6789 -3.6757 -2.8866 -2.8828 -2.2529 -2.2522 -1.5378 -1.5346 -0.8880 -0.8827 3.2081 3.2104 4.5116 4.5140 4.7881 4.7948 5.4273 5.4309 5.7707 5.7769 6.1242 6.1293 6.2801 6.2804 6.6672 6.6718 7.0127 7.0134 7.0943 7.0945 7.5654 7.5679 7.8952 7.8965 7.9026 7.9031 8.4909 8.4965 8.8801 8.8806 9.2514 9.2619 11.2269 11.2338 11.3834 11.4032 11.4375 11.4761 k = 0.5690 0.0691-0.9541 ( 5239 PWs) bands (ev): -3.7285 -3.7254 -2.9388 -2.9351 -2.2928 -2.2921 -1.5763 -1.5732 -0.8931 -0.8877 3.1638 3.1663 4.5420 4.5446 4.8038 4.8094 5.5226 5.5278 5.8309 5.8344 6.2363 6.2425 6.2793 6.2804 6.7193 6.7225 7.0459 7.0466 7.1756 7.1758 7.5885 7.5910 7.9311 7.9315 7.9453 7.9468 8.5235 8.5289 8.9016 8.9021 9.3075 9.3180 11.1679 11.1750 11.3813 11.3850 11.4444 11.4674 k = 0.5660 0.0687-0.9111 ( 5241 PWs) bands (ev): -3.7764 -3.7734 -2.9893 -2.9858 -2.3317 -2.3310 -1.6140 -1.6111 -0.8978 -0.8925 3.1197 3.1223 4.5697 4.5726 4.8100 4.8144 5.6176 5.6240 5.8975 5.8983 6.2729 6.2735 6.3534 6.3582 6.7733 6.7750 7.0793 7.0799 7.2645 7.2650 7.6118 7.6143 7.9684 7.9687 7.9853 7.9868 8.5587 8.5637 8.9229 8.9233 9.3646 9.3751 11.1109 11.1182 11.3503 11.3596 11.4666 11.4772 k = 0.5630 0.0683-0.8681 ( 5235 PWs) bands (ev): -3.8224 -3.8194 -3.0380 -3.0346 -2.3695 -2.3688 -1.6507 -1.6479 -0.9024 -0.8970 3.0760 3.0788 4.5946 4.5978 4.8094 4.8125 5.7108 5.7184 5.9662 5.9681 6.2674 6.2675 6.4637 6.4692 6.8341 6.8343 7.1124 7.1130 7.3584 7.3592 7.6356 7.6380 8.0070 8.0076 8.0219 8.0229 8.5967 8.6012 8.9439 8.9444 9.4226 9.4332 11.0558 11.0634 11.3149 11.3299 11.4882 11.4935 k = 0.5600 0.0680-0.8251 ( 5234 PWs) bands (ev): -3.8665 -3.8636 -3.0849 -3.0816 -2.4061 -2.4054 -1.6865 -1.6838 -0.9067 -0.9014 3.0331 3.0360 4.6162 4.6196 4.8052 4.8070 5.8003 5.8089 6.0363 6.0408 6.2594 6.2595 6.5694 6.5752 6.9053 6.9064 7.1449 7.1454 7.4552 7.4563 7.6598 7.6623 8.0418 8.0433 8.0595 8.0597 8.6372 8.6410 8.9646 8.9651 9.4815 9.4919 11.0025 11.0102 11.2798 11.2977 11.5078 11.5105 k = 0.5570 0.0676-0.7820 ( 5223 PWs) bands (ev): -3.9086 -3.9059 -3.1299 -3.1267 -2.4413 -2.4406 -1.7210 -1.7185 -0.9109 -0.9056 2.9912 2.9942 4.6329 4.6367 4.8007 4.8015 5.8833 5.8926 6.1083 6.1150 6.2498 6.2500 6.6690 6.6746 6.9909 6.9931 7.1764 7.1768 7.5533 7.5547 7.6848 7.6872 8.0684 8.0699 8.1030 8.1036 8.6796 8.6828 8.9849 8.9854 9.5409 9.5513 10.9508 10.9586 11.2449 11.2646 11.5251 11.5262 k = 0.5540 0.0672-0.7390 ( 5221 PWs) bands (ev): -3.9488 -3.9462 -3.1729 -3.1698 -2.4752 -2.4745 -1.7544 -1.7520 -0.9149 -0.9097 2.9504 2.9534 4.6426 4.6465 4.8000 4.8000 5.9564 5.9656 6.1831 6.1915 6.2388 6.2395 6.7635 6.7683 7.0910 7.0937 7.2065 7.2069 7.6510 7.6529 7.7105 7.7128 8.0893 8.0905 8.1508 8.1515 8.7231 8.7256 9.0048 9.0052 9.6008 9.6110 10.9004 10.9082 11.2102 11.2310 11.5400 11.5402 k = 0.5510 0.0669-0.6960 ( 5216 PWs) bands (ev): -3.9870 -3.9844 -3.2139 -3.2109 -2.5076 -2.5069 -1.7864 -1.7841 -0.9187 -0.9137 2.9110 2.9139 4.6435 4.6472 4.8058 4.8062 6.0163 6.0244 6.2258 6.2268 6.2652 6.2722 6.8552 6.8591 7.2022 7.2051 7.2351 7.2357 7.7356 7.7370 7.7493 7.7509 8.1067 8.1075 8.2013 8.2022 8.7669 8.7686 9.0241 9.0246 9.6607 9.6708 10.8509 10.8587 11.1753 11.1968 11.5523 11.5528 k = 0.5480 0.0665-0.6530 ( 5218 PWs) bands (ev): -4.0231 -4.0207 -3.2528 -3.2500 -2.5384 -2.5378 -1.8169 -1.8148 -0.9224 -0.9176 2.8730 2.8759 4.6360 4.6391 4.8193 4.8197 6.0617 6.0682 6.2140 6.2142 6.3505 6.3576 6.9466 6.9495 7.2611 7.2614 7.3217 7.3250 7.7631 7.7650 7.8410 7.8441 8.1225 8.1228 8.2542 8.2552 8.8100 8.8109 9.0429 9.0433 9.7204 9.7303 10.8019 10.8097 11.1401 11.1619 11.5625 11.5634 k = 0.5450 0.0662-0.6100 ( 5216 PWs) bands (ev): -4.0572 -4.0549 -3.2896 -3.2869 -2.5677 -2.5671 -1.8460 -1.8441 -0.9259 -0.9213 2.8366 2.8395 4.6225 4.6250 4.8387 4.8390 6.0939 6.0986 6.2011 6.2013 6.4409 6.4471 7.0387 7.0408 7.2856 7.2859 7.4443 7.4479 7.7903 7.7921 7.9285 7.9328 8.1388 8.1395 8.3092 8.3104 8.8517 8.8519 9.0610 9.0614 9.7793 9.7889 10.7531 10.7608 11.1043 11.1260 11.5711 11.5723 k = 0.5420 0.0658-0.5669 ( 5215 PWs) bands (ev): -4.0891 -4.0870 -3.3242 -3.3217 -2.5953 -2.5947 -1.8735 -1.8717 -0.9293 -0.9249 2.8021 2.8049 4.6054 4.6074 4.8617 4.8619 6.1148 6.1181 6.1881 6.1883 6.5338 6.5392 7.1315 7.1328 7.3078 7.3082 7.5677 7.5717 7.8175 7.8191 8.0062 8.0123 8.1605 8.1624 8.3661 8.3674 8.8910 8.8914 9.0783 9.0787 9.8369 9.8462 10.7041 10.7117 11.0674 11.0888 11.5786 11.5798 k = 0.5390 0.0654-0.5239 ( 5221 PWs) bands (ev): -4.1190 -4.1170 -3.3566 -3.3542 -2.6212 -2.6206 -1.8994 -1.8977 -0.9325 -0.9283 2.7694 2.7721 4.5866 4.5881 4.8869 4.8870 6.1268 6.1289 6.1754 6.1756 6.6277 6.6323 7.2242 7.2250 7.3279 7.3283 7.6883 7.6930 7.8445 7.8460 8.0672 8.0749 8.1968 8.1997 8.4246 8.4261 8.9279 8.9289 9.0949 9.0953 9.8924 9.9013 10.6545 10.6620 11.0294 11.0501 11.5852 11.5864 k = 0.5360 0.0651-0.4809 ( 5223 PWs) bands (ev): -4.1467 -4.1448 -3.3867 -3.3845 -2.6453 -2.6447 -1.9236 -1.9221 -0.9355 -0.9316 2.7387 2.7413 4.5672 4.5684 4.9133 4.9133 6.1316 6.1329 6.1634 6.1637 6.7211 6.7251 7.3158 7.3163 7.3458 7.3463 7.8011 7.8065 7.8710 7.8723 8.1114 8.1192 8.2524 8.2547 8.4846 8.4862 8.9623 8.9639 9.1106 9.1110 9.9448 9.9533 10.6041 10.6114 10.9900 11.0097 11.5917 11.5928 k = 0.5330 0.0647-0.4379 ( 5215 PWs) bands (ev): -4.1723 -4.1705 -3.4146 -3.4125 -2.6676 -2.6671 -1.9461 -1.9446 -0.9384 -0.9347 2.7101 2.7125 4.5481 4.5490 4.9401 4.9401 6.1303 6.1312 6.1527 6.1532 6.8131 6.8165 7.3615 7.3619 7.4055 7.4056 7.8952 7.8979 7.8990 7.9032 8.1548 8.1614 8.3183 8.3189 8.5456 8.5474 8.9945 8.9965 9.1253 9.1257 9.9934 10.0014 10.5528 10.5598 10.9495 10.9679 11.5985 11.5994 k = 0.5300 0.0643-0.3948 ( 5219 PWs) bands (ev): -4.1957 -4.1941 -3.4401 -3.4382 -2.6881 -2.6877 -1.9667 -1.9654 -0.9411 -0.9377 2.6837 2.6860 4.5297 4.5304 4.9668 4.9669 6.1244 6.1250 6.1435 6.1442 6.9025 6.9055 7.3754 7.3758 7.4918 7.4919 7.9212 7.9223 7.9660 7.9708 8.2156 8.2197 8.3848 8.3861 8.6072 8.6091 9.0246 9.0269 9.1391 9.1395 10.0370 10.0444 10.5006 10.5071 10.9079 10.9249 11.6060 11.6068 k = 0.5270 0.0640-0.3518 ( 5222 PWs) bands (ev): -4.2169 -4.2154 -3.4633 -3.4616 -2.7068 -2.7063 -1.9855 -1.9843 -0.9435 -0.9404 2.6596 2.6617 4.5124 4.5129 4.9930 4.9931 6.1157 6.1162 6.1349 6.1359 6.9886 6.9911 7.3874 7.3878 7.5740 7.5742 7.9444 7.9454 8.0049 8.0082 8.2949 8.2955 8.4507 8.4541 8.6689 8.6709 9.0529 9.0554 9.1517 9.1521 10.0745 10.0812 10.4476 10.4538 10.8661 10.8814 11.6145 11.6152 k = 0.5240 0.0636-0.3088 ( 5212 PWs) bands (ev): -4.2359 -4.2346 -3.4841 -3.4826 -2.7235 -2.7231 -2.0024 -2.0014 -0.9457 -0.9429 2.6378 2.6397 4.4964 4.4968 5.0182 5.0183 6.1063 6.1067 6.1262 6.1273 7.0703 7.0725 7.3977 7.3980 7.6511 7.6514 7.9660 7.9668 8.0246 8.0268 8.3733 8.3758 8.5206 8.5261 8.7301 8.7321 9.0798 9.0823 9.1633 9.1637 10.1048 10.1107 10.3943 10.4000 10.8250 10.8385 11.6240 11.6247 k = 0.5210 0.0632-0.2658 ( 5213 PWs) bands (ev): -4.2527 -4.2515 -3.5025 -3.5011 -2.7383 -2.7380 -2.0174 -2.0165 -0.9477 -0.9452 2.6185 2.6202 4.4820 4.4823 5.0419 5.0420 6.0971 6.0974 6.1172 6.1184 7.1465 7.1484 7.4064 7.4067 7.7224 7.7227 7.9855 7.9862 8.0348 8.0362 8.4370 8.4410 8.6008 8.6071 8.7898 8.7919 9.1053 9.1077 9.1736 9.1741 10.1269 10.1319 10.3415 10.3467 10.7860 10.7975 11.6344 11.6351 k = 0.5180 0.0629-0.2228 ( 5211 PWs) bands (ev): -4.2672 -4.2662 -3.5184 -3.5173 -2.7512 -2.7510 -2.0305 -2.0297 -0.9494 -0.9472 2.6016 2.6031 4.4692 4.4694 5.0638 5.0639 6.0885 6.0888 6.1083 6.1094 7.2162 7.2178 7.4137 7.4140 7.7868 7.7871 8.0029 8.0035 8.0404 8.0413 8.4819 8.4855 8.6900 8.6957 8.8471 8.8491 9.1292 9.1316 9.1828 9.1832 10.1400 10.1440 10.2901 10.2947 10.7505 10.7600 11.6452 11.6460 k = 0.5150 0.0625-0.1797 ( 5214 PWs) bands (ev): -4.2795 -4.2787 -3.5320 -3.5310 -2.7622 -2.7619 -2.0416 -2.0409 -0.9508 -0.9490 2.5873 2.5885 4.4583 4.4584 5.0833 5.0834 6.0807 6.0809 6.1000 6.1010 7.2782 7.2795 7.4197 7.4199 7.8435 7.8437 8.0178 8.0184 8.0437 8.0444 8.5113 8.5141 8.7804 8.7850 8.9007 8.9026 9.1513 9.1534 9.1907 9.1912 10.1440 10.1469 10.2416 10.2455 10.7201 10.7277 11.6558 11.6567 k = 0.5120 0.0621-0.1367 ( 5218 PWs) bands (ev): -4.2896 -4.2890 -3.5431 -3.5423 -2.7711 -2.7710 -2.0506 -2.0501 -0.9520 -0.9505 2.5755 2.5765 4.4492 4.4493 5.1000 5.1001 6.0739 6.0741 6.0926 6.0935 7.3312 7.3322 7.4245 7.4247 7.8914 7.8915 8.0300 8.0305 8.0464 8.0469 8.5295 8.5315 8.8648 8.8683 8.9490 8.9507 9.1706 9.1725 9.1974 9.1979 10.1398 10.1419 10.1975 10.2007 10.6958 10.7015 11.6655 11.6667 k = 0.5090 0.0618-0.0937 ( 5215 PWs) bands (ev): -4.2974 -4.2969 -3.5517 -3.5511 -2.7781 -2.7780 -2.0577 -2.0573 -0.9529 -0.9518 2.5664 2.5671 4.4421 4.4422 5.1135 5.1136 6.0683 6.0684 6.0867 6.0873 7.3739 7.3746 7.4283 7.4284 7.9294 7.9294 8.0388 8.0395 8.0496 8.0498 8.5399 8.5412 8.9376 8.9402 8.9904 8.9917 9.1862 9.1879 9.2030 9.2034 10.1300 10.1312 10.1599 10.1624 10.6779 10.6819 11.6739 11.6750 k = 0.5060 0.0614-0.0507 ( 5215 PWs) bands (ev): -4.3030 -4.3027 -3.5578 -3.5574 -2.7831 -2.7830 -2.0628 -2.0625 -0.9534 -0.9527 2.5599 2.5604 4.4370 4.4371 5.1235 5.1236 6.0641 6.0641 6.0823 6.0827 7.4049 7.4053 7.4315 7.4315 7.9565 7.9565 8.0442 8.0448 8.0538 8.0539 8.5451 8.5459 8.9936 8.9950 9.0234 9.0242 9.1972 9.1985 9.2078 9.2081 10.1182 10.1188 10.1309 10.1327 10.6661 10.6686 11.6801 11.6813 k = 0.5030 0.0611-0.0076 ( 5218 PWs) bands (ev): -4.3063 -4.3062 -3.5614 -3.5612 -2.7861 -2.7861 -2.0658 -2.0656 -0.9537 -0.9534 2.5560 2.5562 4.4340 4.4340 5.1296 5.1297 6.0614 6.0614 6.0797 6.0799 7.4222 7.4222 7.4351 7.4352 7.9724 7.9724 8.0472 8.0475 8.0574 8.0574 8.5473 8.5477 9.0270 9.0274 9.0471 9.0472 9.2030 9.2036 9.2118 9.2119 10.1085 10.1087 10.1129 10.1139 10.6597 10.6609 11.6838 11.6851 k = 0.5000 0.0607 0.0354 ( 5224 PWs) bands (ev): -4.3074 -4.3074 -3.5626 -3.5626 -2.7871 -2.7871 -2.0667 -2.0667 -0.9537 -0.9537 2.5548 2.5548 4.4329 4.4329 5.1317 5.1317 6.0605 6.0605 6.0789 6.0789 7.4264 7.4264 7.4379 7.4379 7.9776 7.9776 8.0483 8.0483 8.0588 8.0588 8.5480 8.5480 9.0373 9.0373 9.0565 9.0565 9.2049 9.2049 9.2134 9.2134 10.1045 10.1045 10.1074 10.1074 10.6580 10.6580 11.6843 11.6850 k = 0.5000-2.0293-1.1831 ( 5278 PWs) bands (ev): -1.9731 -1.9731 -1.4681 -1.4681 -1.3035 -1.3035 -0.7343 -0.7343 -0.4709 -0.4709 2.4601 2.4601 2.6789 2.6789 3.0209 3.0209 4.2371 4.2371 5.0314 5.0314 5.2982 5.2982 5.7822 5.7822 5.8154 5.8154 6.4493 6.4493 6.6892 6.6892 7.0837 7.0837 7.1173 7.1173 7.6635 7.6635 7.7788 7.7788 8.5024 8.5024 8.5181 8.5181 10.6549 10.6549 12.3106 12.3106 12.5925 12.5925 k = 0.5413-2.0217-1.1787 ( 5273 PWs) bands (ev): -1.9730 -1.9730 -1.4701 -1.4700 -1.3012 -1.3010 -0.7354 -0.7352 -0.4706 -0.4705 2.4553 2.4556 2.6849 2.6862 3.0206 3.0218 4.2290 4.2296 5.0393 5.0397 5.2964 5.2969 5.7841 5.7848 5.8155 5.8157 6.4506 6.4506 6.6823 6.6844 7.0803 7.0805 7.1161 7.1185 7.6669 7.6672 7.7824 7.7824 8.5004 8.5014 8.5163 8.5170 10.6544 10.6545 12.3075 12.3080 12.5981 12.5993 k = 0.5825-2.0141-1.1743 ( 5269 PWs) bands (ev): -1.9726 -1.9726 -1.4755 -1.4753 -1.2946 -1.2943 -0.7383 -0.7378 -0.4698 -0.4695 2.4429 2.4434 2.7023 2.7048 3.0207 3.0233 4.2066 4.2076 5.0623 5.0631 5.2915 5.2926 5.7899 5.7911 5.8165 5.8169 6.4546 6.4546 6.6642 6.6682 7.0708 7.0710 7.1151 7.1193 7.6771 7.6776 7.7929 7.7930 8.4956 8.4976 8.5116 8.5130 10.6530 10.6530 12.2995 12.3005 12.6152 12.6173 k = 0.6238-2.0065-1.1699 ( 5270 PWs) bands (ev): -1.9720 -1.9720 -1.4834 -1.4831 -1.2846 -1.2843 -0.7428 -0.7421 -0.4685 -0.4681 2.4261 2.4266 2.7277 2.7313 3.0215 3.0254 4.1727 4.1741 5.0973 5.0985 5.2843 5.2858 5.7974 5.7985 5.8200 5.8213 6.4610 6.4610 6.6362 6.6417 7.0560 7.0562 7.1139 7.1194 7.6934 7.6940 7.8096 7.8097 8.4879 8.4908 8.5044 8.5064 10.6507 10.6508 12.2884 12.2895 12.6416 12.6446 k = 0.6650-1.9989-1.1654 ( 5270 PWs) bands (ev): -1.9713 -1.9712 -1.4928 -1.4925 -1.2724 -1.2720 -0.7487 -0.7479 -0.4667 -0.4663 2.4077 2.4082 2.7580 2.7627 3.0227 3.0280 4.1309 4.1326 5.1404 5.1422 5.2755 5.2776 5.8023 5.8028 5.8301 5.8327 6.4696 6.4697 6.5999 6.6064 7.0371 7.0372 7.1123 7.1183 7.7147 7.7152 7.8313 7.8313 8.4775 8.4809 8.4951 8.4974 10.6478 10.6479 12.2757 12.2769 12.6749 12.6785 k = 0.7063-1.9914-1.1610 ( 5267 PWs) bands (ev): -1.9704 -1.9703 -1.5028 -1.5025 -1.2590 -1.2585 -0.7557 -0.7549 -0.4647 -0.4642 2.3895 2.3899 2.7907 2.7964 3.0244 3.0311 4.0847 4.0866 5.1873 5.1900 5.2663 5.2694 5.8036 5.8038 5.8472 5.8508 6.4801 6.4801 6.5570 6.5641 7.0152 7.0153 7.1101 7.1162 7.7396 7.7401 7.8565 7.8566 8.4646 8.4683 8.4843 8.4866 10.6445 10.6445 12.2627 12.2639 12.7127 12.7168 k = 0.7475-1.9838-1.1566 ( 5268 PWs) bands (ev): -1.9694 -1.9693 -1.5127 -1.5124 -1.2451 -1.2447 -0.7635 -0.7626 -0.4625 -0.4620 2.3727 2.3730 2.8239 2.8306 3.0266 3.0347 4.0371 4.0391 5.2291 5.2343 5.2620 5.2677 5.8033 5.8034 5.8691 5.8734 6.4907 6.4909 6.5103 6.5174 6.9918 6.9919 7.1074 7.1131 7.7667 7.7670 7.8840 7.8841 8.4497 8.4532 8.4723 8.4744 10.6409 10.6409 12.2503 12.2513 12.7527 12.7572 k = 0.7888-1.9762-1.1522 ( 5262 PWs) bands (ev): -1.9685 -1.9683 -1.5221 -1.5217 -1.2315 -1.2311 -0.7715 -0.7707 -0.4603 -0.4599 2.3580 2.3581 2.8558 2.8635 3.0294 3.0386 3.9908 3.9928 5.2387 5.2408 5.2945 5.2971 5.8025 5.8026 5.8947 5.8996 6.4555 6.4626 6.5065 6.5068 6.9681 6.9682 7.1045 7.1095 7.7944 7.7945 7.9121 7.9123 8.4333 8.4364 8.4598 8.4615 10.6374 10.6374 12.2388 12.2397 12.7926 12.7973 k = 0.8300-1.9686-1.1477 ( 5261 PWs) bands (ev): -1.9676 -1.9674 -1.5304 -1.5301 -1.2189 -1.2186 -0.7794 -0.7786 -0.4583 -0.4580 2.3457 2.3457 2.8848 2.8933 3.0328 3.0427 3.9483 3.9502 5.2331 5.2337 5.3376 5.3388 5.8016 5.8016 5.9237 5.9290 6.4016 6.4088 6.5192 6.5193 6.9455 6.9456 7.1016 7.1058 7.8212 7.8212 7.9394 7.9396 8.4164 8.4191 8.4472 8.4486 10.6342 10.6342 12.2288 12.2294 12.8299 12.8345 Writing output data file Zr2Al4C5.save init_run : 3.90s CPU 12.82s WALL ( 1 calls) electrons : 6438.38s CPU 6475.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.78s CPU 2.27s WALL ( 1 calls) Called by electrons: c_bands : 6438.28s CPU 6475.03s WALL ( 1 calls) v_of_rho : 0.27s CPU 1.17s WALL ( 1 calls) v_h : 0.04s CPU 0.08s WALL ( 1 calls) v_xc : 0.23s CPU 0.70s WALL ( 1 calls) newd : 0.52s CPU 0.79s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 335 calls) cegterg : 5929.44s CPU 5960.90s WALL ( 1257 calls) Called by sum_band: Called by *egterg: h_psi : 5784.17s CPU 5825.86s WALL ( 24163 calls) s_psi : 70.57s CPU 70.93s WALL ( 24163 calls) g_psi : 1.15s CPU 1.22s WALL ( 22571 calls) cdiaghg : 388.16s CPU 382.67s WALL ( 22906 calls) cegterg:over : 79.29s CPU 73.79s WALL ( 22571 calls) cegterg:upda : 16.87s CPU 23.39s WALL ( 22571 calls) cegterg:last : 13.81s CPU 14.94s WALL ( 2960 calls) Called by h_psi: h_psi:vloc : 5618.72s CPU 5657.61s WALL ( 24163 calls) h_psi:vnl : 164.75s CPU 166.64s WALL ( 24163 calls) add_vuspsi : 58.03s CPU 66.73s WALL ( 24163 calls) General routines calbec : 106.62s CPU 99.67s WALL ( 24163 calls) fft : 0.35s CPU 1.41s WALL ( 19 calls) ffts : 0.02s CPU 0.26s WALL ( 4 calls) fftw : 4167.32s CPU 4190.83s WALL ( 1762432 calls) interpolate : 0.12s CPU 0.36s WALL ( 4 calls) davcio : 0.05s CPU 1.28s WALL ( 670 calls) Parallel routines fft_scatter : 1857.08s CPU 1862.22s WALL ( 1762455 calls) PWSCF : 1h48m CPU 1h50m WALL This run was terminated on: 10:51:22 5Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=