Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 10: 4:21 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Zr5Te4.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 23 6 996 996 148 Max 24 24 7 1000 1000 157 Sum 1669 1669 467 71849 71849 10925 bravais-lattice index = 14 lattice parameter (alat) = 14.8364 a.u. unit-cell volume = 1502.4511 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.836373 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.059868 celldm(5)= -0.059868 celldm(6)= -0.880263 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.880263 0.474485 0.000000 ) a(3) = ( -0.059868 -0.237243 0.969604 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.855196 0.515675 ) b(2) = ( 0.000000 2.107547 0.515675 ) b(3) = ( 0.000000 0.000000 1.031349 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 258 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0000000 0.0000000 0.0245559), wk = 0.0038760 k( 3) = ( 0.0000000 0.0000000 0.0491119), wk = 0.0038760 k( 4) = ( 0.0000000 0.0000000 0.0736678), wk = 0.0038760 k( 5) = ( 0.0000000 0.0000000 0.0982237), wk = 0.0038760 k( 6) = ( 0.0000000 0.0000000 0.1227796), wk = 0.0038760 k( 7) = ( 0.0000000 0.0000000 0.1473356), wk = 0.0038760 k( 8) = ( 0.0000000 0.0000000 0.1718915), wk = 0.0038760 k( 9) = ( 0.0000000 0.0000000 0.1964474), wk = 0.0038760 k( 10) = ( 0.0000000 0.0000000 0.2210034), wk = 0.0038760 k( 11) = ( 0.0000000 0.0000000 0.2455593), wk = 0.0038760 k( 12) = ( 0.0000000 0.0000000 0.2701152), wk = 0.0038760 k( 13) = ( 0.0000000 0.0000000 0.2946711), wk = 0.0038760 k( 14) = ( 0.0000000 0.0000000 0.3192271), wk = 0.0038760 k( 15) = ( 0.0000000 0.0000000 0.3437830), wk = 0.0038760 k( 16) = ( 0.0000000 0.0000000 0.3683389), wk = 0.0038760 k( 17) = ( 0.0000000 0.0000000 0.3928949), wk = 0.0038760 k( 18) = ( 0.0000000 0.0000000 0.4174508), wk = 0.0038760 k( 19) = ( 0.0000000 0.0000000 0.4420067), wk = 0.0038760 k( 20) = ( 0.0000000 0.0000000 0.4665626), wk = 0.0038760 k( 21) = ( 0.0000000 0.0000000 0.4911186), wk = 0.0038760 k( 22) = ( 0.0000000 0.0000000 0.5156745), wk = 0.0038760 k( 23) = ( 0.0000000 0.0000000 0.5156745), wk = 0.0038760 k( 24) = ( -0.0238095 0.0060083 0.5156745), wk = 0.0038760 k( 25) = ( -0.0476191 0.0120167 0.5156745), wk = 0.0038760 k( 26) = ( -0.0714286 0.0180250 0.5156745), wk = 0.0038760 k( 27) = ( -0.0952381 0.0240334 0.5156745), wk = 0.0038760 k( 28) = ( -0.1190476 0.0300417 0.5156745), wk = 0.0038760 k( 29) = ( -0.1428571 0.0360501 0.5156745), wk = 0.0038760 k( 30) = ( -0.1666667 0.0420584 0.5156745), wk = 0.0038760 k( 31) = ( -0.1904762 0.0480668 0.5156745), wk = 0.0038760 k( 32) = ( -0.2142857 0.0540751 0.5156745), wk = 0.0038760 k( 33) = ( -0.2380952 0.0600834 0.5156745), wk = 0.0038760 k( 34) = ( -0.2619048 0.0660918 0.5156745), wk = 0.0038760 k( 35) = ( -0.2857143 0.0721001 0.5156745), wk = 0.0038760 k( 36) = ( -0.3095238 0.0781085 0.5156745), wk = 0.0038760 k( 37) = ( -0.3333333 0.0841168 0.5156745), wk = 0.0038760 k( 38) = ( -0.3571429 0.0901252 0.5156745), wk = 0.0038760 k( 39) = ( -0.3809524 0.0961335 0.5156745), wk = 0.0038760 k( 40) = ( -0.4047619 0.1021419 0.5156745), wk = 0.0038760 k( 41) = ( -0.4285714 0.1081502 0.5156745), wk = 0.0038760 k( 42) = ( -0.4523810 0.1141585 0.5156745), wk = 0.0038760 k( 43) = ( -0.4761905 0.1201669 0.5156745), wk = 0.0038760 k( 44) = ( -0.5000000 0.1261752 0.5156745), wk = 0.0038760 k( 45) = ( -0.5000000 0.1261752 0.5156745), wk = 0.0038760 k( 46) = ( -0.4833333 0.1219694 0.4984853), wk = 0.0038760 k( 47) = ( -0.4666667 0.1177636 0.4812962), wk = 0.0038760 k( 48) = ( -0.4500000 0.1135577 0.4641071), wk = 0.0038760 k( 49) = ( -0.4333333 0.1093519 0.4469179), wk = 0.0038760 k( 50) = ( -0.4166667 0.1051460 0.4297288), wk = 0.0038760 k( 51) = ( -0.4000000 0.1009402 0.4125396), wk = 0.0038760 k( 52) = ( -0.3833333 0.0967343 0.3953504), wk = 0.0038760 k( 53) = ( -0.3666667 0.0925285 0.3781613), wk = 0.0038760 k( 54) = ( -0.3500000 0.0883227 0.3609722), wk = 0.0038760 k( 55) = ( -0.3333333 0.0841168 0.3437830), wk = 0.0038760 k( 56) = ( -0.3166667 0.0799110 0.3265939), wk = 0.0038760 k( 57) = ( -0.3000000 0.0757051 0.3094047), wk = 0.0038760 k( 58) = ( -0.2833333 0.0714993 0.2922155), wk = 0.0038760 k( 59) = ( -0.2666667 0.0672935 0.2750264), wk = 0.0038760 k( 60) = ( -0.2500000 0.0630876 0.2578373), wk = 0.0038760 k( 61) = ( -0.2333333 0.0588818 0.2406481), wk = 0.0038760 k( 62) = ( -0.2166667 0.0546759 0.2234590), wk = 0.0038760 k( 63) = ( -0.2000000 0.0504701 0.2062698), wk = 0.0038760 k( 64) = ( -0.1833333 0.0462643 0.1890806), wk = 0.0038760 k( 65) = ( -0.1666667 0.0420584 0.1718915), wk = 0.0038760 k( 66) = ( -0.1500000 0.0378526 0.1547024), wk = 0.0038760 k( 67) = ( -0.1333333 0.0336467 0.1375132), wk = 0.0038760 k( 68) = ( -0.1166667 0.0294409 0.1203241), wk = 0.0038760 k( 69) = ( -0.1000000 0.0252350 0.1031349), wk = 0.0038760 k( 70) = ( -0.0833333 0.0210292 0.0859457), wk = 0.0038760 k( 71) = ( -0.0666667 0.0168234 0.0687566), wk = 0.0038760 k( 72) = ( -0.0500000 0.0126175 0.0515675), wk = 0.0038760 k( 73) = ( -0.0333333 0.0084117 0.0343783), wk = 0.0038760 k( 74) = ( -0.0166667 0.0042058 0.0171892), wk = 0.0038760 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 76) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 77) = ( 0.0059966 0.0237630 0.0000000), wk = 0.0038760 k( 78) = ( 0.0119932 0.0475260 0.0000000), wk = 0.0038760 k( 79) = ( 0.0179898 0.0712890 0.0000000), wk = 0.0038760 k( 80) = ( 0.0239864 0.0950520 0.0000000), wk = 0.0038760 k( 81) = ( 0.0299830 0.1188150 0.0000000), wk = 0.0038760 k( 82) = ( 0.0359796 0.1425780 0.0000000), wk = 0.0038760 k( 83) = ( 0.0419762 0.1663410 0.0000000), wk = 0.0038760 k( 84) = ( 0.0479728 0.1901040 0.0000000), wk = 0.0038760 k( 85) = ( 0.0539694 0.2138670 0.0000000), wk = 0.0038760 k( 86) = ( 0.0599660 0.2376300 0.0000000), wk = 0.0038760 k( 87) = ( 0.0659626 0.2613930 0.0000000), wk = 0.0038760 k( 88) = ( 0.0719593 0.2851560 0.0000000), wk = 0.0038760 k( 89) = ( 0.0779558 0.3089190 0.0000000), wk = 0.0038760 k( 90) = ( 0.0839524 0.3326820 0.0000000), wk = 0.0038760 k( 91) = ( 0.0899491 0.3564450 0.0000000), wk = 0.0038760 k( 92) = ( 0.0959457 0.3802080 0.0000000), wk = 0.0038760 k( 93) = ( 0.1019423 0.4039710 0.0000000), wk = 0.0038760 k( 94) = ( 0.1079389 0.4277340 0.0000000), wk = 0.0038760 k( 95) = ( 0.1139355 0.4514970 0.0000000), wk = 0.0038760 k( 96) = ( 0.1199321 0.4752600 0.0000000), wk = 0.0038760 k( 97) = ( 0.1259287 0.4990230 0.0000000), wk = 0.0038760 k( 98) = ( 0.1319253 0.5227859 0.0000000), wk = 0.0038760 k( 99) = ( 0.1379219 0.5465490 0.0000000), wk = 0.0038760 k( 100) = ( 0.1439185 0.5703119 0.0000000), wk = 0.0038760 k( 101) = ( 0.1499151 0.5940750 0.0000000), wk = 0.0038760 k( 102) = ( 0.1559117 0.6178380 0.0000000), wk = 0.0038760 k( 103) = ( 0.1619083 0.6416009 0.0000000), wk = 0.0038760 k( 104) = ( 0.1679049 0.6653640 0.0000000), wk = 0.0038760 k( 105) = ( 0.1739015 0.6891269 0.0000000), wk = 0.0038760 k( 106) = ( 0.1798981 0.7128900 0.0000000), wk = 0.0038760 k( 107) = ( 0.1858947 0.7366529 0.0000000), wk = 0.0038760 k( 108) = ( 0.1918913 0.7604159 0.0000000), wk = 0.0038760 k( 109) = ( 0.1978879 0.7841790 0.0000000), wk = 0.0038760 k( 110) = ( 0.2038845 0.8079419 0.0000000), wk = 0.0038760 k( 111) = ( 0.2098811 0.8317049 0.0000000), wk = 0.0038760 k( 112) = ( 0.2158777 0.8554679 0.0000000), wk = 0.0038760 k( 113) = ( 0.2218743 0.8792309 0.0000000), wk = 0.0038760 k( 114) = ( 0.2278709 0.9029939 0.0000000), wk = 0.0038760 k( 115) = ( 0.2338676 0.9267569 0.0000000), wk = 0.0038760 k( 116) = ( 0.2398641 0.9505199 0.0000000), wk = 0.0038760 k( 117) = ( 0.2458608 0.9742829 0.0000000), wk = 0.0038760 k( 118) = ( 0.2518574 0.9980459 0.0000000), wk = 0.0038760 k( 119) = ( 0.2578540 1.0218089 0.0000000), wk = 0.0038760 k( 120) = ( 0.2638506 1.0455719 0.0000000), wk = 0.0038760 k( 121) = ( 0.2698472 1.0693349 0.0000000), wk = 0.0038760 k( 122) = ( 0.2758438 1.0930979 0.0000000), wk = 0.0038760 k( 123) = ( 0.2818404 1.1168609 0.0000000), wk = 0.0038760 k( 124) = ( 0.2818404 1.1168609 0.0000000), wk = 0.0038760 k( 125) = ( 0.2803931 1.1111257 0.0234397), wk = 0.0038760 k( 126) = ( 0.2789458 1.1053904 0.0468795), wk = 0.0038760 k( 127) = ( 0.2774985 1.0996552 0.0703193), wk = 0.0038760 k( 128) = ( 0.2760512 1.0939200 0.0937590), wk = 0.0038760 k( 129) = ( 0.2746039 1.0881847 0.1171987), wk = 0.0038760 k( 130) = ( 0.2731566 1.0824495 0.1406385), wk = 0.0038760 k( 131) = ( 0.2717094 1.0767142 0.1640783), wk = 0.0038760 k( 132) = ( 0.2702621 1.0709790 0.1875180), wk = 0.0038760 k( 133) = ( 0.2688148 1.0652438 0.2109577), wk = 0.0038760 k( 134) = ( 0.2673675 1.0595085 0.2343975), wk = 0.0038760 k( 135) = ( 0.2659202 1.0537733 0.2578373), wk = 0.0038760 k( 136) = ( 0.2644729 1.0480381 0.2812770), wk = 0.0038760 k( 137) = ( 0.2630256 1.0423028 0.3047168), wk = 0.0038760 k( 138) = ( 0.2615783 1.0365676 0.3281565), wk = 0.0038760 k( 139) = ( 0.2601310 1.0308323 0.3515962), wk = 0.0038760 k( 140) = ( 0.2586837 1.0250971 0.3750360), wk = 0.0038760 k( 141) = ( 0.2572365 1.0193619 0.3984758), wk = 0.0038760 k( 142) = ( 0.2557892 1.0136266 0.4219155), wk = 0.0038760 k( 143) = ( 0.2543419 1.0078914 0.4453552), wk = 0.0038760 k( 144) = ( 0.2528946 1.0021562 0.4687950), wk = 0.0038760 k( 145) = ( 0.2514473 0.9964209 0.4922348), wk = 0.0038760 k( 146) = ( 0.2500000 0.9906857 0.5156745), wk = 0.0038760 k( 147) = ( 0.2500000 0.9906857 0.5156745), wk = 0.0038760 k( 148) = ( 0.2333333 0.9948915 0.4984853), wk = 0.0038760 k( 149) = ( 0.2166667 0.9990974 0.4812962), wk = 0.0038760 k( 150) = ( 0.2000000 1.0033032 0.4641071), wk = 0.0038760 k( 151) = ( 0.1833333 1.0075090 0.4469179), wk = 0.0038760 k( 152) = ( 0.1666667 1.0117149 0.4297288), wk = 0.0038760 k( 153) = ( 0.1500000 1.0159207 0.4125396), wk = 0.0038760 k( 154) = ( 0.1333333 1.0201266 0.3953504), wk = 0.0038760 k( 155) = ( 0.1166667 1.0243324 0.3781613), wk = 0.0038760 k( 156) = ( 0.1000000 1.0285383 0.3609722), wk = 0.0038760 k( 157) = ( 0.0833333 1.0327441 0.3437830), wk = 0.0038760 k( 158) = ( 0.0666667 1.0369499 0.3265939), wk = 0.0038760 k( 159) = ( 0.0500000 1.0411558 0.3094047), wk = 0.0038760 k( 160) = ( 0.0333333 1.0453616 0.2922155), wk = 0.0038760 k( 161) = ( 0.0166667 1.0495675 0.2750264), wk = 0.0038760 k( 162) = ( 0.0000000 1.0537733 0.2578373), wk = 0.0038760 k( 163) = ( 0.0000000 1.0537733 0.2578373), wk = 0.0038760 k( 164) = ( -0.0176150 1.0498303 0.2739521), wk = 0.0038760 k( 165) = ( -0.0352300 1.0458873 0.2900669), wk = 0.0038760 k( 166) = ( -0.0528451 1.0419444 0.3061817), wk = 0.0038760 k( 167) = ( -0.0704601 1.0380014 0.3222966), wk = 0.0038760 k( 168) = ( -0.0880751 1.0340584 0.3384114), wk = 0.0038760 k( 169) = ( -0.1056901 1.0301155 0.3545262), wk = 0.0038760 k( 170) = ( -0.1233052 1.0261725 0.3706410), wk = 0.0038760 k( 171) = ( -0.1409202 1.0222295 0.3867559), wk = 0.0038760 k( 172) = ( -0.1585352 1.0182865 0.4028707), wk = 0.0038760 k( 173) = ( -0.1761502 1.0143435 0.4189855), wk = 0.0038760 k( 174) = ( -0.1937653 1.0104006 0.4351004), wk = 0.0038760 k( 175) = ( -0.2113803 1.0064576 0.4512152), wk = 0.0038760 k( 176) = ( -0.2289953 1.0025146 0.4673300), wk = 0.0038760 k( 177) = ( -0.2466103 0.9985716 0.4834448), wk = 0.0038760 k( 178) = ( -0.2642254 0.9946286 0.4995597), wk = 0.0038760 k( 179) = ( -0.2818404 0.9906857 0.5156745), wk = 0.0038760 k( 180) = ( -0.2818404 0.9906857 0.5156745), wk = 0.0038760 k( 181) = ( -0.2879004 0.9666715 0.5156745), wk = 0.0038760 k( 182) = ( -0.2939604 0.9426573 0.5156745), wk = 0.0038760 k( 183) = ( -0.3000203 0.9186431 0.5156745), wk = 0.0038760 k( 184) = ( -0.3060803 0.8946290 0.5156745), wk = 0.0038760 k( 185) = ( -0.3121403 0.8706148 0.5156745), wk = 0.0038760 k( 186) = ( -0.3182003 0.8466006 0.5156745), wk = 0.0038760 k( 187) = ( -0.3242603 0.8225864 0.5156745), wk = 0.0038760 k( 188) = ( -0.3303203 0.7985722 0.5156745), wk = 0.0038760 k( 189) = ( -0.3363803 0.7745581 0.5156745), wk = 0.0038760 k( 190) = ( -0.3424403 0.7505439 0.5156745), wk = 0.0038760 k( 191) = ( -0.3485003 0.7265297 0.5156745), wk = 0.0038760 k( 192) = ( -0.3545603 0.7025155 0.5156745), wk = 0.0038760 k( 193) = ( -0.3606202 0.6785014 0.5156745), wk = 0.0038760 k( 194) = ( -0.3666802 0.6544872 0.5156745), wk = 0.0038760 k( 195) = ( -0.3727402 0.6304730 0.5156745), wk = 0.0038760 k( 196) = ( -0.3788002 0.6064588 0.5156745), wk = 0.0038760 k( 197) = ( -0.3848602 0.5824446 0.5156745), wk = 0.0038760 k( 198) = ( -0.3909202 0.5584305 0.5156745), wk = 0.0038760 k( 199) = ( -0.3969802 0.5344163 0.5156745), wk = 0.0038760 k( 200) = ( -0.4030402 0.5104021 0.5156745), wk = 0.0038760 k( 201) = ( -0.4091002 0.4863879 0.5156745), wk = 0.0038760 k( 202) = ( -0.4151602 0.4623737 0.5156745), wk = 0.0038760 k( 203) = ( -0.4212201 0.4383596 0.5156745), wk = 0.0038760 k( 204) = ( -0.4272801 0.4143454 0.5156745), wk = 0.0038760 k( 205) = ( -0.4333401 0.3903312 0.5156745), wk = 0.0038760 k( 206) = ( -0.4394001 0.3663170 0.5156745), wk = 0.0038760 k( 207) = ( -0.4454601 0.3423028 0.5156745), wk = 0.0038760 k( 208) = ( -0.4515201 0.3182887 0.5156745), wk = 0.0038760 k( 209) = ( -0.4575801 0.2942745 0.5156745), wk = 0.0038760 k( 210) = ( -0.4636401 0.2702603 0.5156745), wk = 0.0038760 k( 211) = ( -0.4697000 0.2462461 0.5156745), wk = 0.0038760 k( 212) = ( -0.4757600 0.2222320 0.5156745), wk = 0.0038760 k( 213) = ( -0.4818200 0.1982178 0.5156745), wk = 0.0038760 k( 214) = ( -0.4878800 0.1742036 0.5156745), wk = 0.0038760 k( 215) = ( -0.4939400 0.1501894 0.5156745), wk = 0.0038760 k( 216) = ( -0.5000000 0.1261752 0.5156745), wk = 0.0038760 k( 217) = ( 0.0000000 0.0000000 0.5156745), wk = 0.0038760 k( 218) = ( 0.0060976 0.0241631 0.5156745), wk = 0.0038760 k( 219) = ( 0.0121951 0.0483261 0.5156745), wk = 0.0038760 k( 220) = ( 0.0182927 0.0724892 0.5156745), wk = 0.0038760 k( 221) = ( 0.0243902 0.0966522 0.5156745), wk = 0.0038760 k( 222) = ( 0.0304878 0.1208153 0.5156745), wk = 0.0038760 k( 223) = ( 0.0365854 0.1449784 0.5156745), wk = 0.0038760 k( 224) = ( 0.0426829 0.1691415 0.5156745), wk = 0.0038760 k( 225) = ( 0.0487805 0.1933045 0.5156745), wk = 0.0038760 k( 226) = ( 0.0548780 0.2174676 0.5156745), wk = 0.0038760 k( 227) = ( 0.0609756 0.2416307 0.5156745), wk = 0.0038760 k( 228) = ( 0.0670732 0.2657937 0.5156745), wk = 0.0038760 k( 229) = ( 0.0731707 0.2899568 0.5156745), wk = 0.0038760 k( 230) = ( 0.0792683 0.3141198 0.5156745), wk = 0.0038760 k( 231) = ( 0.0853658 0.3382829 0.5156745), wk = 0.0038760 k( 232) = ( 0.0914634 0.3624460 0.5156745), wk = 0.0038760 k( 233) = ( 0.0975610 0.3866091 0.5156745), wk = 0.0038760 k( 234) = ( 0.1036585 0.4107721 0.5156745), wk = 0.0038760 k( 235) = ( 0.1097561 0.4349352 0.5156745), wk = 0.0038760 k( 236) = ( 0.1158537 0.4590982 0.5156745), wk = 0.0038760 k( 237) = ( 0.1219512 0.4832613 0.5156745), wk = 0.0038760 k( 238) = ( 0.1280488 0.5074244 0.5156745), wk = 0.0038760 k( 239) = ( 0.1341463 0.5315874 0.5156745), wk = 0.0038760 k( 240) = ( 0.1402439 0.5557505 0.5156745), wk = 0.0038760 k( 241) = ( 0.1463415 0.5799136 0.5156745), wk = 0.0038760 k( 242) = ( 0.1524390 0.6040766 0.5156745), wk = 0.0038760 k( 243) = ( 0.1585366 0.6282397 0.5156745), wk = 0.0038760 k( 244) = ( 0.1646342 0.6524028 0.5156745), wk = 0.0038760 k( 245) = ( 0.1707317 0.6765658 0.5156745), wk = 0.0038760 k( 246) = ( 0.1768293 0.7007289 0.5156745), wk = 0.0038760 k( 247) = ( 0.1829268 0.7248920 0.5156745), wk = 0.0038760 k( 248) = ( 0.1890244 0.7490550 0.5156745), wk = 0.0038760 k( 249) = ( 0.1951219 0.7732181 0.5156745), wk = 0.0038760 k( 250) = ( 0.2012195 0.7973811 0.5156745), wk = 0.0038760 k( 251) = ( 0.2073171 0.8215442 0.5156745), wk = 0.0038760 k( 252) = ( 0.2134146 0.8457073 0.5156745), wk = 0.0038760 k( 253) = ( 0.2195122 0.8698704 0.5156745), wk = 0.0038760 k( 254) = ( 0.2256098 0.8940334 0.5156745), wk = 0.0038760 k( 255) = ( 0.2317073 0.9181965 0.5156745), wk = 0.0038760 k( 256) = ( 0.2378049 0.9423596 0.5156745), wk = 0.0038760 k( 257) = ( 0.2439024 0.9665226 0.5156745), wk = 0.0038760 k( 258) = ( 0.2500000 0.9906857 0.5156745), wk = 0.0038760 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0038760 k( 3) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0038760 k( 4) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0038760 k( 5) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0038760 k( 6) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0038760 k( 7) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0038760 k( 8) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038760 k( 9) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0038760 k( 10) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0038760 k( 11) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0038760 k( 12) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0038760 k( 13) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0038760 k( 14) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0038760 k( 15) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038760 k( 16) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0038760 k( 17) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0038760 k( 18) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0038760 k( 19) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0038760 k( 20) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0038760 k( 21) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0038760 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 24) = ( -0.0238095 0.0238095 0.5000000), wk = 0.0038760 k( 25) = ( -0.0476191 0.0476191 0.5000000), wk = 0.0038760 k( 26) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0038760 k( 27) = ( -0.0952381 0.0952381 0.5000000), wk = 0.0038760 k( 28) = ( -0.1190476 0.1190476 0.5000000), wk = 0.0038760 k( 29) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0038760 k( 30) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0038760 k( 31) = ( -0.1904762 0.1904762 0.5000000), wk = 0.0038760 k( 32) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0038760 k( 33) = ( -0.2380952 0.2380952 0.5000000), wk = 0.0038760 k( 34) = ( -0.2619048 0.2619048 0.5000000), wk = 0.0038760 k( 35) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0038760 k( 36) = ( -0.3095238 0.3095238 0.5000000), wk = 0.0038760 k( 37) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0038760 k( 38) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0038760 k( 39) = ( -0.3809524 0.3809524 0.5000000), wk = 0.0038760 k( 40) = ( -0.4047619 0.4047619 0.5000000), wk = 0.0038760 k( 41) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0038760 k( 42) = ( -0.4523810 0.4523809 0.5000000), wk = 0.0038760 k( 43) = ( -0.4761905 0.4761905 0.5000000), wk = 0.0038760 k( 44) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 45) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 46) = ( -0.4833333 0.4833333 0.4833333), wk = 0.0038760 k( 47) = ( -0.4666667 0.4666667 0.4666667), wk = 0.0038760 k( 48) = ( -0.4500000 0.4500000 0.4500000), wk = 0.0038760 k( 49) = ( -0.4333333 0.4333333 0.4333333), wk = 0.0038760 k( 50) = ( -0.4166667 0.4166667 0.4166667), wk = 0.0038760 k( 51) = ( -0.4000000 0.4000000 0.4000000), wk = 0.0038760 k( 52) = ( -0.3833333 0.3833333 0.3833333), wk = 0.0038760 k( 53) = ( -0.3666667 0.3666667 0.3666667), wk = 0.0038760 k( 54) = ( -0.3500000 0.3500000 0.3500000), wk = 0.0038760 k( 55) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0038760 k( 56) = ( -0.3166667 0.3166667 0.3166667), wk = 0.0038760 k( 57) = ( -0.3000000 0.3000000 0.3000000), wk = 0.0038760 k( 58) = ( -0.2833333 0.2833333 0.2833333), wk = 0.0038760 k( 59) = ( -0.2666667 0.2666667 0.2666667), wk = 0.0038760 k( 60) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0038760 k( 61) = ( -0.2333333 0.2333333 0.2333333), wk = 0.0038760 k( 62) = ( -0.2166667 0.2166667 0.2166667), wk = 0.0038760 k( 63) = ( -0.2000000 0.2000000 0.2000000), wk = 0.0038760 k( 64) = ( -0.1833333 0.1833333 0.1833333), wk = 0.0038760 k( 65) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0038760 k( 66) = ( -0.1500000 0.1500000 0.1500000), wk = 0.0038760 k( 67) = ( -0.1333333 0.1333333 0.1333333), wk = 0.0038760 k( 68) = ( -0.1166667 0.1166667 0.1166667), wk = 0.0038760 k( 69) = ( -0.1000000 0.1000000 0.1000000), wk = 0.0038760 k( 70) = ( -0.0833333 0.0833333 0.0833333), wk = 0.0038760 k( 71) = ( -0.0666667 0.0666667 0.0666667), wk = 0.0038760 k( 72) = ( -0.0500000 0.0500000 0.0500000), wk = 0.0038760 k( 73) = ( -0.0333333 0.0333333 0.0333333), wk = 0.0038760 k( 74) = ( -0.0166667 0.0166667 0.0166667), wk = 0.0038760 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 76) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 77) = ( 0.0059966 0.0059966 -0.0059966), wk = 0.0038760 k( 78) = ( 0.0119932 0.0119932 -0.0119932), wk = 0.0038760 k( 79) = ( 0.0179898 0.0179898 -0.0179898), wk = 0.0038760 k( 80) = ( 0.0239864 0.0239864 -0.0239864), wk = 0.0038760 k( 81) = ( 0.0299830 0.0299830 -0.0299830), wk = 0.0038760 k( 82) = ( 0.0359796 0.0359796 -0.0359796), wk = 0.0038760 k( 83) = ( 0.0419762 0.0419762 -0.0419762), wk = 0.0038760 k( 84) = ( 0.0479728 0.0479728 -0.0479728), wk = 0.0038760 k( 85) = ( 0.0539694 0.0539694 -0.0539694), wk = 0.0038760 k( 86) = ( 0.0599660 0.0599660 -0.0599660), wk = 0.0038760 k( 87) = ( 0.0659626 0.0659626 -0.0659626), wk = 0.0038760 k( 88) = ( 0.0719593 0.0719593 -0.0719593), wk = 0.0038760 k( 89) = ( 0.0779558 0.0779558 -0.0779558), wk = 0.0038760 k( 90) = ( 0.0839524 0.0839524 -0.0839524), wk = 0.0038760 k( 91) = ( 0.0899491 0.0899491 -0.0899491), wk = 0.0038760 k( 92) = ( 0.0959457 0.0959457 -0.0959457), wk = 0.0038760 k( 93) = ( 0.1019423 0.1019423 -0.1019423), wk = 0.0038760 k( 94) = ( 0.1079389 0.1079389 -0.1079389), wk = 0.0038760 k( 95) = ( 0.1139355 0.1139355 -0.1139355), wk = 0.0038760 k( 96) = ( 0.1199321 0.1199321 -0.1199321), wk = 0.0038760 k( 97) = ( 0.1259287 0.1259287 -0.1259287), wk = 0.0038760 k( 98) = ( 0.1319253 0.1319253 -0.1319253), wk = 0.0038760 k( 99) = ( 0.1379219 0.1379219 -0.1379219), wk = 0.0038760 k( 100) = ( 0.1439185 0.1439185 -0.1439185), wk = 0.0038760 k( 101) = ( 0.1499151 0.1499151 -0.1499151), wk = 0.0038760 k( 102) = ( 0.1559117 0.1559117 -0.1559117), wk = 0.0038760 k( 103) = ( 0.1619083 0.1619083 -0.1619083), wk = 0.0038760 k( 104) = ( 0.1679049 0.1679049 -0.1679049), wk = 0.0038760 k( 105) = ( 0.1739015 0.1739015 -0.1739015), wk = 0.0038760 k( 106) = ( 0.1798981 0.1798981 -0.1798981), wk = 0.0038760 k( 107) = ( 0.1858947 0.1858947 -0.1858947), wk = 0.0038760 k( 108) = ( 0.1918913 0.1918913 -0.1918913), wk = 0.0038760 k( 109) = ( 0.1978879 0.1978879 -0.1978879), wk = 0.0038760 k( 110) = ( 0.2038845 0.2038845 -0.2038845), wk = 0.0038760 k( 111) = ( 0.2098811 0.2098811 -0.2098811), wk = 0.0038760 k( 112) = ( 0.2158777 0.2158777 -0.2158777), wk = 0.0038760 k( 113) = ( 0.2218743 0.2218743 -0.2218743), wk = 0.0038760 k( 114) = ( 0.2278709 0.2278710 -0.2278710), wk = 0.0038760 k( 115) = ( 0.2338676 0.2338676 -0.2338676), wk = 0.0038760 k( 116) = ( 0.2398641 0.2398642 -0.2398642), wk = 0.0038760 k( 117) = ( 0.2458608 0.2458608 -0.2458608), wk = 0.0038760 k( 118) = ( 0.2518574 0.2518574 -0.2518574), wk = 0.0038760 k( 119) = ( 0.2578540 0.2578540 -0.2578540), wk = 0.0038760 k( 120) = ( 0.2638506 0.2638506 -0.2638506), wk = 0.0038760 k( 121) = ( 0.2698472 0.2698472 -0.2698472), wk = 0.0038760 k( 122) = ( 0.2758438 0.2758438 -0.2758438), wk = 0.0038760 k( 123) = ( 0.2818404 0.2818404 -0.2818404), wk = 0.0038760 k( 124) = ( 0.2818404 0.2818404 -0.2818404), wk = 0.0038760 k( 125) = ( 0.2803931 0.2803931 -0.2576658), wk = 0.0038760 k( 126) = ( 0.2789458 0.2789458 -0.2334913), wk = 0.0038760 k( 127) = ( 0.2774985 0.2774985 -0.2093167), wk = 0.0038760 k( 128) = ( 0.2760512 0.2760512 -0.1851421), wk = 0.0038760 k( 129) = ( 0.2746039 0.2746039 -0.1609676), wk = 0.0038760 k( 130) = ( 0.2731566 0.2731566 -0.1367930), wk = 0.0038760 k( 131) = ( 0.2717094 0.2717094 -0.1126184), wk = 0.0038760 k( 132) = ( 0.2702621 0.2702621 -0.0884439), wk = 0.0038760 k( 133) = ( 0.2688148 0.2688148 -0.0642693), wk = 0.0038760 k( 134) = ( 0.2673675 0.2673675 -0.0400947), wk = 0.0038760 k( 135) = ( 0.2659202 0.2659202 -0.0159202), wk = 0.0038760 k( 136) = ( 0.2644729 0.2644729 0.0082544), wk = 0.0038760 k( 137) = ( 0.2630256 0.2630256 0.0324289), wk = 0.0038760 k( 138) = ( 0.2615783 0.2615783 0.0566035), wk = 0.0038760 k( 139) = ( 0.2601310 0.2601310 0.0807781), wk = 0.0038760 k( 140) = ( 0.2586837 0.2586837 0.1049526), wk = 0.0038760 k( 141) = ( 0.2572365 0.2572365 0.1291272), wk = 0.0038760 k( 142) = ( 0.2557892 0.2557892 0.1533017), wk = 0.0038760 k( 143) = ( 0.2543419 0.2543419 0.1774763), wk = 0.0038760 k( 144) = ( 0.2528946 0.2528946 0.2016509), wk = 0.0038760 k( 145) = ( 0.2514473 0.2514473 0.2258254), wk = 0.0038760 k( 146) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038760 k( 147) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038760 k( 148) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0038760 k( 149) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0038760 k( 150) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0038760 k( 151) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0038760 k( 152) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0038760 k( 153) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0038760 k( 154) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0038760 k( 155) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0038760 k( 156) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0038760 k( 157) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0038760 k( 158) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0038760 k( 159) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0038760 k( 160) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0038760 k( 161) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0038760 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038760 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038760 k( 164) = ( -0.0176150 0.5136350 0.0176150), wk = 0.0038760 k( 165) = ( -0.0352300 0.5272699 0.0352300), wk = 0.0038760 k( 166) = ( -0.0528451 0.5409049 0.0528451), wk = 0.0038760 k( 167) = ( -0.0704601 0.5545399 0.0704601), wk = 0.0038760 k( 168) = ( -0.0880751 0.5681749 0.0880751), wk = 0.0038760 k( 169) = ( -0.1056901 0.5818099 0.1056901), wk = 0.0038760 k( 170) = ( -0.1233052 0.5954448 0.1233052), wk = 0.0038760 k( 171) = ( -0.1409202 0.6090798 0.1409202), wk = 0.0038760 k( 172) = ( -0.1585352 0.6227148 0.1585352), wk = 0.0038760 k( 173) = ( -0.1761502 0.6363498 0.1761502), wk = 0.0038760 k( 174) = ( -0.1937653 0.6499847 0.1937653), wk = 0.0038760 k( 175) = ( -0.2113803 0.6636197 0.2113803), wk = 0.0038760 k( 176) = ( -0.2289953 0.6772547 0.2289953), wk = 0.0038760 k( 177) = ( -0.2466103 0.6908897 0.2466103), wk = 0.0038760 k( 178) = ( -0.2642254 0.7045246 0.2642254), wk = 0.0038760 k( 179) = ( -0.2818404 0.7181596 0.2818404), wk = 0.0038760 k( 180) = ( -0.2818404 0.7181596 0.2818404), wk = 0.0038760 k( 181) = ( -0.2879004 0.7120996 0.2879004), wk = 0.0038760 k( 182) = ( -0.2939604 0.7060396 0.2939604), wk = 0.0038760 k( 183) = ( -0.3000203 0.6999796 0.3000203), wk = 0.0038760 k( 184) = ( -0.3060803 0.6939197 0.3060803), wk = 0.0038760 k( 185) = ( -0.3121403 0.6878597 0.3121403), wk = 0.0038760 k( 186) = ( -0.3182003 0.6817997 0.3182003), wk = 0.0038760 k( 187) = ( -0.3242603 0.6757397 0.3242603), wk = 0.0038760 k( 188) = ( -0.3303203 0.6696797 0.3303203), wk = 0.0038760 k( 189) = ( -0.3363803 0.6636197 0.3363803), wk = 0.0038760 k( 190) = ( -0.3424403 0.6575597 0.3424403), wk = 0.0038760 k( 191) = ( -0.3485003 0.6514997 0.3485003), wk = 0.0038760 k( 192) = ( -0.3545603 0.6454397 0.3545603), wk = 0.0038760 k( 193) = ( -0.3606202 0.6393798 0.3606202), wk = 0.0038760 k( 194) = ( -0.3666802 0.6333198 0.3666802), wk = 0.0038760 k( 195) = ( -0.3727402 0.6272598 0.3727402), wk = 0.0038760 k( 196) = ( -0.3788002 0.6211998 0.3788002), wk = 0.0038760 k( 197) = ( -0.3848602 0.6151398 0.3848602), wk = 0.0038760 k( 198) = ( -0.3909202 0.6090798 0.3909202), wk = 0.0038760 k( 199) = ( -0.3969802 0.6030198 0.3969802), wk = 0.0038760 k( 200) = ( -0.4030402 0.5969598 0.4030402), wk = 0.0038760 k( 201) = ( -0.4091002 0.5908998 0.4091002), wk = 0.0038760 k( 202) = ( -0.4151602 0.5848399 0.4151602), wk = 0.0038760 k( 203) = ( -0.4212201 0.5787799 0.4212201), wk = 0.0038760 k( 204) = ( -0.4272801 0.5727199 0.4272801), wk = 0.0038760 k( 205) = ( -0.4333401 0.5666599 0.4333401), wk = 0.0038760 k( 206) = ( -0.4394001 0.5605999 0.4394001), wk = 0.0038760 k( 207) = ( -0.4454601 0.5545399 0.4454601), wk = 0.0038760 k( 208) = ( -0.4515201 0.5484799 0.4515201), wk = 0.0038760 k( 209) = ( -0.4575801 0.5424199 0.4575801), wk = 0.0038760 k( 210) = ( -0.4636401 0.5363599 0.4636401), wk = 0.0038760 k( 211) = ( -0.4697000 0.5302999 0.4697000), wk = 0.0038760 k( 212) = ( -0.4757600 0.5242400 0.4757600), wk = 0.0038760 k( 213) = ( -0.4818200 0.5181800 0.4818200), wk = 0.0038760 k( 214) = ( -0.4878800 0.5121200 0.4878800), wk = 0.0038760 k( 215) = ( -0.4939400 0.5060600 0.4939400), wk = 0.0038760 k( 216) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 218) = ( 0.0060976 0.0060976 0.4939024), wk = 0.0038760 k( 219) = ( 0.0121951 0.0121951 0.4878049), wk = 0.0038760 k( 220) = ( 0.0182927 0.0182927 0.4817073), wk = 0.0038760 k( 221) = ( 0.0243902 0.0243902 0.4756098), wk = 0.0038760 k( 222) = ( 0.0304878 0.0304878 0.4695122), wk = 0.0038760 k( 223) = ( 0.0365854 0.0365854 0.4634146), wk = 0.0038760 k( 224) = ( 0.0426829 0.0426829 0.4573171), wk = 0.0038760 k( 225) = ( 0.0487805 0.0487805 0.4512195), wk = 0.0038760 k( 226) = ( 0.0548780 0.0548780 0.4451220), wk = 0.0038760 k( 227) = ( 0.0609756 0.0609756 0.4390244), wk = 0.0038760 k( 228) = ( 0.0670732 0.0670732 0.4329268), wk = 0.0038760 k( 229) = ( 0.0731707 0.0731707 0.4268293), wk = 0.0038760 k( 230) = ( 0.0792683 0.0792683 0.4207317), wk = 0.0038760 k( 231) = ( 0.0853658 0.0853658 0.4146342), wk = 0.0038760 k( 232) = ( 0.0914634 0.0914634 0.4085366), wk = 0.0038760 k( 233) = ( 0.0975610 0.0975610 0.4024390), wk = 0.0038760 k( 234) = ( 0.1036585 0.1036585 0.3963415), wk = 0.0038760 k( 235) = ( 0.1097561 0.1097561 0.3902439), wk = 0.0038760 k( 236) = ( 0.1158537 0.1158537 0.3841463), wk = 0.0038760 k( 237) = ( 0.1219512 0.1219512 0.3780488), wk = 0.0038760 k( 238) = ( 0.1280488 0.1280488 0.3719512), wk = 0.0038760 k( 239) = ( 0.1341463 0.1341463 0.3658537), wk = 0.0038760 k( 240) = ( 0.1402439 0.1402439 0.3597561), wk = 0.0038760 k( 241) = ( 0.1463415 0.1463415 0.3536585), wk = 0.0038760 k( 242) = ( 0.1524390 0.1524390 0.3475610), wk = 0.0038760 k( 243) = ( 0.1585366 0.1585366 0.3414634), wk = 0.0038760 k( 244) = ( 0.1646342 0.1646341 0.3353659), wk = 0.0038760 k( 245) = ( 0.1707317 0.1707317 0.3292683), wk = 0.0038760 k( 246) = ( 0.1768293 0.1768293 0.3231707), wk = 0.0038760 k( 247) = ( 0.1829268 0.1829268 0.3170732), wk = 0.0038760 k( 248) = ( 0.1890244 0.1890244 0.3109756), wk = 0.0038760 k( 249) = ( 0.1951219 0.1951219 0.3048781), wk = 0.0038760 k( 250) = ( 0.2012195 0.2012195 0.2987805), wk = 0.0038760 k( 251) = ( 0.2073171 0.2073171 0.2926829), wk = 0.0038760 k( 252) = ( 0.2134146 0.2134146 0.2865854), wk = 0.0038760 k( 253) = ( 0.2195122 0.2195122 0.2804878), wk = 0.0038760 k( 254) = ( 0.2256098 0.2256098 0.2743902), wk = 0.0038760 k( 255) = ( 0.2317073 0.2317073 0.2682927), wk = 0.0038760 k( 256) = ( 0.2378049 0.2378049 0.2621951), wk = 0.0038760 k( 257) = ( 0.2439024 0.2439024 0.2560976), wk = 0.0038760 k( 258) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038760 Dense grid: 71849 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 272, 52) NL pseudopotentials 0.45 Mb ( 136, 216) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 998) G-vector shells 0.00 Mb ( 492) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 272, 208) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.34 Mb ( 216, 2, 52) The potential is recalculated from file : ./Zr5Te4.save/charge-density.dat Starting wfc are 122 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 6.6 secs Computing kpt #: 3 total cpu time spent up to now is 9.1 secs Computing kpt #: 4 total cpu time spent up to now is 12.2 secs Computing kpt #: 5 total cpu time spent up to now is 14.9 secs Computing kpt #: 6 total cpu time spent up to now is 17.4 secs Computing kpt #: 7 total cpu time spent up to now is 20.9 secs Computing kpt #: 8 total cpu time spent up to now is 24.4 secs Computing kpt #: 9 total cpu time spent up to now is 27.8 secs Computing kpt #: 10 total cpu time spent up to now is 32.1 secs Computing kpt #: 11 total cpu time spent up to now is 36.0 secs Computing kpt #: 12 total cpu time spent up to now is 40.5 secs Computing kpt #: 13 total cpu time spent up to now is 44.9 secs Computing kpt #: 14 total cpu time spent up to now is 49.5 secs Computing kpt #: 15 total cpu time spent up to now is 53.4 secs Computing kpt #: 16 total cpu time spent up to now is 59.5 secs Computing kpt #: 17 total cpu time spent up to now is 64.2 secs Computing kpt #: 18 total cpu time spent up to now is 69.6 secs Computing kpt #: 19 total cpu time spent up to now is 74.5 secs Computing kpt #: 20 total cpu time spent up to now is 78.0 secs Computing kpt #: 21 total cpu time spent up to now is 81.2 secs Computing kpt #: 22 total cpu time spent up to now is 83.8 secs Computing kpt #: 23 total cpu time spent up to now is 86.4 secs Computing kpt #: 24 total cpu time spent up to now is 88.8 secs Computing kpt #: 25 total cpu time spent up to now is 91.7 secs Computing kpt #: 26 total cpu time spent up to now is 94.7 secs Computing kpt #: 27 total cpu time spent up to now is 98.2 secs Computing kpt #: 28 total cpu time spent up to now is 102.3 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.9 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.1 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.9 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.8 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.8 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.7 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.5 secs Computing kpt #: 36 total cpu time spent up to now is 137.0 secs Computing kpt #: 37 total cpu time spent up to now is 140.3 secs Computing kpt #: 38 total cpu time spent up to now is 143.5 secs Computing kpt #: 39 total cpu time spent up to now is 146.7 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.7 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.7 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 158.8 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.8 secs Computing kpt #: 44 total cpu time spent up to now is 165.6 secs Computing kpt #: 45 total cpu time spent up to now is 168.4 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.4 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.4 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.5 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.5 secs Computing kpt #: 50 total cpu time spent up to now is 187.8 secs Computing kpt #: 51 total cpu time spent up to now is 190.6 secs Computing kpt #: 52 total cpu time spent up to now is 193.8 secs Computing kpt #: 53 total cpu time spent up to now is 196.9 secs Computing kpt #: 54 total cpu time spent up to now is 200.3 secs Computing kpt #: 55 total cpu time spent up to now is 203.6 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.5 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.8 secs Computing kpt #: 58 total cpu time spent up to now is 215.2 secs Computing kpt #: 59 total cpu time spent up to now is 217.8 secs Computing kpt #: 60 total cpu time spent up to now is 220.1 secs Computing kpt #: 61 total cpu time spent up to now is 222.3 secs Computing kpt #: 62 total cpu time spent up to now is 224.4 secs Computing kpt #: 63 total cpu time spent up to now is 226.3 secs Computing kpt #: 64 total cpu time spent up to now is 228.3 secs Computing kpt #: 65 total cpu time spent up to now is 230.2 secs Computing kpt #: 66 total cpu time spent up to now is 232.1 secs Computing kpt #: 67 total cpu time spent up to now is 234.2 secs Computing kpt #: 68 total cpu time spent up to now is 236.2 secs Computing kpt #: 69 total cpu time spent up to now is 238.1 secs Computing kpt #: 70 total cpu time spent up to now is 239.9 secs Computing kpt #: 71 total cpu time spent up to now is 241.8 secs Computing kpt #: 72 total cpu time spent up to now is 243.5 secs Computing kpt #: 73 total cpu time spent up to now is 245.4 secs Computing kpt #: 74 total cpu time spent up to now is 247.2 secs Computing kpt #: 75 total cpu time spent up to now is 248.9 secs Computing kpt #: 76 total cpu time spent up to now is 250.7 secs Computing kpt #: 77 total cpu time spent up to now is 252.3 secs Computing kpt #: 78 total cpu time spent up to now is 254.1 secs Computing kpt #: 79 total cpu time spent up to now is 256.0 secs Computing kpt #: 80 total cpu time spent up to now is 257.7 secs Computing kpt #: 81 total cpu time spent up to now is 259.8 secs Computing kpt #: 82 total cpu time spent up to now is 262.0 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 265.5 secs Computing kpt #: 84 total cpu time spent up to now is 268.7 secs Computing kpt #: 85 total cpu time spent up to now is 271.7 secs Computing kpt #: 86 total cpu time spent up to now is 273.8 secs Computing kpt #: 87 total cpu time spent up to now is 276.4 secs Computing kpt #: 88 total cpu time spent up to now is 278.9 secs Computing kpt #: 89 total cpu time spent up to now is 281.0 secs Computing kpt #: 90 total cpu time spent up to now is 283.0 secs Computing kpt #: 91 total cpu time spent up to now is 285.1 secs Computing kpt #: 92 total cpu time spent up to now is 287.2 secs Computing kpt #: 93 total cpu time spent up to now is 289.7 secs Computing kpt #: 94 total cpu time spent up to now is 292.0 secs Computing kpt #: 95 total cpu time spent up to now is 294.5 secs Computing kpt #: 96 total cpu time spent up to now is 296.7 secs Computing kpt #: 97 total cpu time spent up to now is 298.9 secs Computing kpt #: 98 total cpu time spent up to now is 300.9 secs Computing kpt #: 99 total cpu time spent up to now is 303.0 secs Computing kpt #: 100 total cpu time spent up to now is 304.8 secs Computing kpt #: 101 total cpu time spent up to now is 306.6 secs Computing kpt #: 102 total cpu time spent up to now is 308.4 secs Computing kpt #: 103 total cpu time spent up to now is 310.3 secs Computing kpt #: 104 total cpu time spent up to now is 312.0 secs Computing kpt #: 105 total cpu time spent up to now is 313.9 secs Computing kpt #: 106 total cpu time spent up to now is 316.1 secs Computing kpt #: 107 total cpu time spent up to now is 318.1 secs Computing kpt #: 108 total cpu time spent up to now is 320.7 secs Computing kpt #: 109 total cpu time spent up to now is 323.0 secs Computing kpt #: 110 total cpu time spent up to now is 325.5 secs Computing kpt #: 111 total cpu time spent up to now is 328.0 secs Computing kpt #: 112 total cpu time spent up to now is 331.0 secs Computing kpt #: 113 total cpu time spent up to now is 334.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.4 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.0 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.7 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.2 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.8 secs Computing kpt #: 119 total cpu time spent up to now is 355.7 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.2 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.7 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 367.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.7 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.1 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.8 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 385.4 secs Computing kpt #: 128 total cpu time spent up to now is 388.8 secs Computing kpt #: 129 total cpu time spent up to now is 391.8 secs Computing kpt #: 130 total cpu time spent up to now is 394.7 secs Computing kpt #: 131 total cpu time spent up to now is 397.6 secs Computing kpt #: 132 total cpu time spent up to now is 399.9 secs Computing kpt #: 133 total cpu time spent up to now is 402.1 secs Computing kpt #: 134 total cpu time spent up to now is 404.2 secs Computing kpt #: 135 total cpu time spent up to now is 406.3 secs Computing kpt #: 136 total cpu time spent up to now is 408.3 secs Computing kpt #: 137 total cpu time spent up to now is 410.3 secs Computing kpt #: 138 total cpu time spent up to now is 412.5 secs Computing kpt #: 139 total cpu time spent up to now is 414.5 secs Computing kpt #: 140 total cpu time spent up to now is 416.8 secs Computing kpt #: 141 total cpu time spent up to now is 418.9 secs Computing kpt #: 142 total cpu time spent up to now is 420.9 secs Computing kpt #: 143 total cpu time spent up to now is 423.0 secs Computing kpt #: 144 total cpu time spent up to now is 425.2 secs Computing kpt #: 145 total cpu time spent up to now is 427.3 secs Computing kpt #: 146 total cpu time spent up to now is 429.5 secs Computing kpt #: 147 total cpu time spent up to now is 431.7 secs Computing kpt #: 148 total cpu time spent up to now is 434.0 secs Computing kpt #: 149 total cpu time spent up to now is 436.2 secs Computing kpt #: 150 total cpu time spent up to now is 438.3 secs Computing kpt #: 151 total cpu time spent up to now is 440.4 secs Computing kpt #: 152 total cpu time spent up to now is 442.5 secs Computing kpt #: 153 total cpu time spent up to now is 444.5 secs Computing kpt #: 154 total cpu time spent up to now is 446.5 secs Computing kpt #: 155 total cpu time spent up to now is 448.3 secs Computing kpt #: 156 total cpu time spent up to now is 450.1 secs Computing kpt #: 157 total cpu time spent up to now is 452.0 secs Computing kpt #: 158 total cpu time spent up to now is 453.9 secs Computing kpt #: 159 total cpu time spent up to now is 455.7 secs Computing kpt #: 160 total cpu time spent up to now is 457.6 secs Computing kpt #: 161 total cpu time spent up to now is 459.5 secs Computing kpt #: 162 total cpu time spent up to now is 461.2 secs Computing kpt #: 163 total cpu time spent up to now is 462.8 secs Computing kpt #: 164 total cpu time spent up to now is 464.4 secs Computing kpt #: 165 total cpu time spent up to now is 466.2 secs Computing kpt #: 166 total cpu time spent up to now is 467.9 secs Computing kpt #: 167 total cpu time spent up to now is 469.7 secs Computing kpt #: 168 total cpu time spent up to now is 471.5 secs Computing kpt #: 169 total cpu time spent up to now is 473.4 secs Computing kpt #: 170 total cpu time spent up to now is 475.5 secs Computing kpt #: 171 total cpu time spent up to now is 477.7 secs Computing kpt #: 172 total cpu time spent up to now is 480.1 secs Computing kpt #: 173 total cpu time spent up to now is 483.1 secs Computing kpt #: 174 total cpu time spent up to now is 486.4 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.1 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 493.8 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 497.7 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.6 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.3 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 509.1 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 512.8 secs Computing kpt #: 182 total cpu time spent up to now is 515.8 secs Computing kpt #: 183 total cpu time spent up to now is 518.3 secs Computing kpt #: 184 total cpu time spent up to now is 520.7 secs Computing kpt #: 185 total cpu time spent up to now is 523.1 secs Computing kpt #: 186 total cpu time spent up to now is 525.5 secs Computing kpt #: 187 total cpu time spent up to now is 527.9 secs Computing kpt #: 188 total cpu time spent up to now is 530.1 secs Computing kpt #: 189 total cpu time spent up to now is 532.2 secs Computing kpt #: 190 total cpu time spent up to now is 534.5 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 538.2 secs Computing kpt #: 192 total cpu time spent up to now is 541.8 secs Computing kpt #: 193 total cpu time spent up to now is 545.0 secs Computing kpt #: 194 total cpu time spent up to now is 547.8 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 551.6 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 555.2 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.9 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 562.5 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.3 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.9 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.8 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.4 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.0 secs Computing kpt #: 204 total cpu time spent up to now is 583.5 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 587.1 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 590.8 secs Computing kpt #: 207 total cpu time spent up to now is 594.4 secs Computing kpt #: 208 total cpu time spent up to now is 597.1 secs Computing kpt #: 209 total cpu time spent up to now is 599.7 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 603.6 secs Computing kpt #: 211 total cpu time spent up to now is 606.4 secs Computing kpt #: 212 total cpu time spent up to now is 609.1 secs Computing kpt #: 213 total cpu time spent up to now is 612.8 secs Computing kpt #: 214 total cpu time spent up to now is 616.3 secs Computing kpt #: 215 total cpu time spent up to now is 618.7 secs Computing kpt #: 216 total cpu time spent up to now is 621.4 secs Computing kpt #: 217 total cpu time spent up to now is 623.7 secs Computing kpt #: 218 total cpu time spent up to now is 626.2 secs Computing kpt #: 219 total cpu time spent up to now is 628.5 secs Computing kpt #: 220 total cpu time spent up to now is 630.7 secs Computing kpt #: 221 total cpu time spent up to now is 632.8 secs Computing kpt #: 222 total cpu time spent up to now is 634.8 secs Computing kpt #: 223 total cpu time spent up to now is 636.8 secs Computing kpt #: 224 total cpu time spent up to now is 638.7 secs Computing kpt #: 225 total cpu time spent up to now is 640.7 secs Computing kpt #: 226 total cpu time spent up to now is 642.5 secs Computing kpt #: 227 total cpu time spent up to now is 644.3 secs Computing kpt #: 228 total cpu time spent up to now is 646.2 secs Computing kpt #: 229 total cpu time spent up to now is 648.2 secs Computing kpt #: 230 total cpu time spent up to now is 650.2 secs Computing kpt #: 231 total cpu time spent up to now is 652.3 secs Computing kpt #: 232 total cpu time spent up to now is 654.3 secs Computing kpt #: 233 total cpu time spent up to now is 656.1 secs Computing kpt #: 234 total cpu time spent up to now is 658.0 secs Computing kpt #: 235 total cpu time spent up to now is 660.0 secs Computing kpt #: 236 total cpu time spent up to now is 661.8 secs Computing kpt #: 237 total cpu time spent up to now is 663.8 secs Computing kpt #: 238 total cpu time spent up to now is 665.9 secs Computing kpt #: 239 total cpu time spent up to now is 668.1 secs Computing kpt #: 240 total cpu time spent up to now is 670.2 secs Computing kpt #: 241 total cpu time spent up to now is 672.4 secs Computing kpt #: 242 total cpu time spent up to now is 674.6 secs Computing kpt #: 243 total cpu time spent up to now is 676.8 secs Computing kpt #: 244 total cpu time spent up to now is 679.0 secs Computing kpt #: 245 total cpu time spent up to now is 681.2 secs Computing kpt #: 246 total cpu time spent up to now is 683.5 secs Computing kpt #: 247 total cpu time spent up to now is 685.7 secs Computing kpt #: 248 total cpu time spent up to now is 688.2 secs Computing kpt #: 249 total cpu time spent up to now is 691.7 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.9 secs Computing kpt #: 251 total cpu time spent up to now is 698.6 secs Computing kpt #: 252 total cpu time spent up to now is 701.0 secs Computing kpt #: 253 total cpu time spent up to now is 703.4 secs Computing kpt #: 254 total cpu time spent up to now is 705.6 secs Computing kpt #: 255 total cpu time spent up to now is 707.8 secs Computing kpt #: 256 total cpu time spent up to now is 710.1 secs Computing kpt #: 257 total cpu time spent up to now is 712.2 secs Computing kpt #: 258 total cpu time spent up to now is 714.3 secs ethr = 2.27E-08, avg # of iterations = 66.4 total cpu time spent up to now is 714.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8981 PWs) bands (ev): -4.2246 -4.2246 -3.3578 -3.3578 -3.3492 -3.3492 -2.8881 -2.8881 2.6177 2.6177 3.1812 3.1812 3.3640 3.3640 3.6812 3.6812 5.4930 5.4930 5.6914 5.6914 5.8400 5.8400 5.9050 5.9050 6.3275 6.3275 6.3573 6.3573 6.3732 6.3732 6.7474 6.7474 7.4938 7.4938 7.8023 7.8023 7.8146 7.8146 7.8796 7.8796 8.1568 8.1568 8.4881 8.4881 8.4971 8.4971 9.2606 9.2606 9.7573 9.7573 10.0553 10.0553 k = 0.0000 0.0000 0.0246 ( 8983 PWs) bands (ev): -4.2237 -4.2237 -3.3585 -3.3585 -3.3496 -3.3496 -2.8886 -2.8886 2.6194 2.6194 3.1809 3.1809 3.3662 3.3662 3.6826 3.6826 5.4936 5.4936 5.6898 5.6898 5.8332 5.8332 5.9071 5.9071 6.3228 6.3228 6.3538 6.3538 6.3755 6.3755 6.7516 6.7516 7.4932 7.4932 7.7917 7.7917 7.8070 7.8070 7.8950 7.8950 8.1628 8.1628 8.4899 8.4899 8.4976 8.4976 9.2609 9.2609 9.7569 9.7569 10.0535 10.0535 k = 0.0000 0.0000 0.0491 ( 8989 PWs) bands (ev): -4.2207 -4.2207 -3.3617 -3.3617 -3.3494 -3.3494 -2.8903 -2.8903 2.6244 2.6244 3.1804 3.1804 3.3722 3.3722 3.6871 3.6871 5.4953 5.4953 5.6840 5.6840 5.8180 5.8180 5.9084 5.9084 6.3071 6.3071 6.3510 6.3510 6.3780 6.3780 6.7628 6.7628 7.4915 7.4915 7.7629 7.7629 7.7995 7.7995 7.9236 7.9236 8.1799 8.1799 8.4914 8.4914 8.5032 8.5032 9.2621 9.2621 9.7558 9.7558 10.0480 10.0480 k = 0.0000 0.0000 0.0737 ( 8983 PWs) bands (ev): -4.2159 -4.2159 -3.3688 -3.3688 -3.3474 -3.3474 -2.8932 -2.8932 2.6327 2.6327 3.1806 3.1806 3.3804 3.3804 3.6954 3.6954 5.4981 5.4981 5.6716 5.6716 5.8025 5.8025 5.9017 5.9017 6.2839 6.2839 6.3520 6.3520 6.3791 6.3791 6.7774 6.7774 7.4887 7.4887 7.7312 7.7312 7.7905 7.7905 7.9537 7.9537 8.2065 8.2065 8.4896 8.4896 8.5164 8.5164 9.2642 9.2642 9.7541 9.7541 10.0392 10.0392 k = 0.0000 0.0000 0.0982 ( 8965 PWs) bands (ev): -4.2090 -4.2090 -3.3793 -3.3793 -3.3438 -3.3438 -2.8971 -2.8971 2.6437 2.6437 3.1825 3.1825 3.3892 3.3892 3.7083 3.7083 5.5017 5.5017 5.6506 5.6506 5.7922 5.7922 5.8828 5.8828 6.2595 6.2595 6.3552 6.3552 6.3792 6.3792 6.7915 6.7915 7.4850 7.4850 7.7015 7.7015 7.7799 7.7799 7.9828 7.9828 8.2403 8.2403 8.4863 8.4863 8.5354 8.5354 9.2677 9.2677 9.7521 9.7521 10.0272 10.0272 k = 0.0000 0.0000 0.1228 ( 8955 PWs) bands (ev): -4.2003 -4.2003 -3.3930 -3.3930 -3.3388 -3.3388 -2.9022 -2.9022 2.6573 2.6573 3.1871 3.1871 3.3967 3.3967 3.7268 3.7268 5.5053 5.5053 5.6212 5.6212 5.7880 5.7880 5.8505 5.8505 6.2375 6.2375 6.3591 6.3591 6.3794 6.3794 6.8022 6.8022 7.4806 7.4806 7.6756 7.6756 7.7686 7.7686 8.0108 8.0108 8.2792 8.2792 8.4821 8.4821 8.5592 8.5592 9.2730 9.2730 9.7499 9.7499 10.0126 10.0126 k = 0.0000 0.0000 0.1473 ( 8965 PWs) bands (ev): -4.1897 -4.1897 -3.4094 -3.4094 -3.3327 -3.3327 -2.9084 -2.9084 2.6730 2.6730 3.1949 3.1949 3.4018 3.4018 3.7518 3.7518 5.5063 5.5063 5.5876 5.5876 5.7830 5.7830 5.8119 5.8119 6.2184 6.2184 6.3619 6.3619 6.3811 6.3811 6.8080 6.8080 7.4755 7.4755 7.6545 7.6545 7.7574 7.7574 8.0375 8.0375 8.3211 8.3211 8.4774 8.4774 8.5872 8.5872 9.2806 9.2806 9.7478 9.7478 9.9956 9.9956 k = 0.0000 0.0000 0.1719 ( 8967 PWs) bands (ev): -4.1772 -4.1772 -3.4284 -3.4284 -3.3256 -3.3256 -2.9157 -2.9157 2.6902 2.6902 3.2061 3.2061 3.4045 3.4045 3.7833 3.7833 5.4949 5.4949 5.5611 5.5611 5.7409 5.7409 5.8043 5.8043 6.2015 6.2015 6.3621 6.3621 6.3852 6.3852 6.8081 6.8081 7.4698 7.4698 7.6384 7.6384 7.7468 7.7468 8.0634 8.0634 8.3643 8.3643 8.4726 8.4726 8.6188 8.6188 9.2909 9.2909 9.7462 9.7462 9.9769 9.9769 k = 0.0000 0.0000 0.1964 ( 8958 PWs) bands (ev): -4.1630 -4.1630 -3.4498 -3.4498 -3.3174 -3.3174 -2.9240 -2.9240 2.7086 2.7086 3.2198 3.2198 3.4058 3.4058 3.8209 3.8209 5.4591 5.4591 5.5539 5.5539 5.6802 5.6802 5.8124 5.8124 6.1852 6.1852 6.3593 6.3593 6.3915 6.3915 6.8029 6.8029 7.4635 7.4635 7.6273 7.6273 7.7374 7.7374 8.0885 8.0885 8.4063 8.4063 8.4692 8.4692 8.6536 8.6536 9.3043 9.3043 9.7452 9.7452 9.9567 9.9567 k = 0.0000 0.0000 0.2210 ( 8954 PWs) bands (ev): -4.1469 -4.1469 -3.4733 -3.4733 -3.3082 -3.3082 -2.9334 -2.9334 2.7278 2.7278 3.2343 3.2343 3.4083 3.4083 3.8641 3.8641 5.4076 5.4076 5.5538 5.5538 5.6190 5.6190 5.8238 5.8238 6.1688 6.1688 6.3541 6.3541 6.3986 6.3986 6.7931 6.7931 7.4567 7.4567 7.6203 7.6203 7.7292 7.7292 8.1129 8.1129 8.4377 8.4377 8.4759 8.4759 8.6909 8.6909 9.3209 9.3209 9.7449 9.7449 9.9354 9.9354 k = 0.0000 0.0000 0.2456 ( 8950 PWs) bands (ev): -4.1292 -4.1292 -3.4986 -3.4986 -3.2982 -3.2982 -2.9437 -2.9437 2.7475 2.7475 3.2461 3.2461 3.4158 3.4158 3.9120 3.9120 5.3476 5.3476 5.5253 5.5253 5.5891 5.5891 5.8368 5.8368 6.1519 6.1519 6.3467 6.3467 6.4061 6.4061 6.7796 6.7796 7.4493 7.4493 7.6167 7.6167 7.7226 7.7226 8.1367 8.1367 8.4433 8.4433 8.5075 8.5075 8.7305 8.7305 9.3407 9.3407 9.7453 9.7453 9.9134 9.9134 k = 0.0000 0.0000 0.2701 ( 8950 PWs) bands (ev): -4.1098 -4.1098 -3.5256 -3.5256 -3.2874 -3.2874 -2.9549 -2.9549 2.7674 2.7674 3.2513 3.2513 3.4327 3.4327 3.9637 3.9637 5.2812 5.2812 5.4637 5.4637 5.5953 5.5953 5.8506 5.8506 6.1345 6.1345 6.3373 6.3373 6.4136 6.4136 6.7632 6.7632 7.4417 7.4417 7.6157 7.6157 7.7174 7.7174 8.1600 8.1600 8.4395 8.4395 8.5469 8.5469 8.7718 8.7718 9.3636 9.3636 9.7462 9.7462 9.8907 9.8907 k = 0.0000 0.0000 0.2947 ( 8960 PWs) bands (ev): -4.0888 -4.0888 -3.5540 -3.5540 -3.2759 -3.2759 -2.9668 -2.9668 2.7876 2.7876 3.2479 3.2479 3.4609 3.4609 4.0185 4.0185 5.2092 5.2092 5.3984 5.3984 5.6086 5.6086 5.8642 5.8642 6.1172 6.1172 6.3263 6.3263 6.4208 6.4208 6.7449 6.7449 7.4339 7.4339 7.6167 7.6167 7.7134 7.7134 8.1826 8.1826 8.4343 8.4343 8.5858 8.5858 8.8147 8.8147 9.3891 9.3891 9.7472 9.7472 9.8677 9.8677 k = 0.0000 0.0000 0.3192 ( 8952 PWs) bands (ev): -4.0663 -4.0663 -3.5836 -3.5836 -3.2638 -3.2638 -2.9793 -2.9793 2.8079 2.8079 3.2372 3.2372 3.4989 3.4989 4.0756 4.0756 5.1329 5.1329 5.3346 5.3346 5.6244 5.6244 5.8766 5.8766 6.1006 6.1006 6.3145 6.3145 6.4276 6.4276 6.7251 6.7251 7.4260 7.4260 7.6191 7.6191 7.7104 7.7104 8.2044 8.2044 8.4290 8.4290 8.6227 8.6227 8.8588 8.8588 9.4167 9.4167 9.7474 9.7474 9.8441 9.8441 k = 0.0000 0.0000 0.3438 ( 8954 PWs) bands (ev): -4.0424 -4.0424 -3.6141 -3.6141 -3.2512 -3.2512 -2.9923 -2.9923 2.8283 2.8283 3.2215 3.2215 3.5440 3.5440 4.1344 4.1344 5.0538 5.0538 5.2731 5.2731 5.6417 5.6417 5.8866 5.8866 6.0859 6.0859 6.3026 6.3026 6.4339 6.4339 6.7044 6.7044 7.4183 7.4183 7.6225 7.6225 7.7082 7.7082 8.2251 8.2251 8.4239 8.4239 8.6567 8.6567 8.9039 8.9039 9.4458 9.4458 9.7443 9.7443 9.8204 9.8204 k = 0.0000 0.0000 0.3683 ( 8956 PWs) bands (ev): -4.0172 -4.0172 -3.6453 -3.6453 -3.2385 -3.2385 -3.0056 -3.0056 2.8488 2.8488 3.2026 3.2026 3.5933 3.5933 4.1942 4.1942 4.9736 4.9736 5.2143 5.2143 5.6600 5.6600 5.8926 5.8926 6.0742 6.0742 6.2917 6.2917 6.4393 6.4393 6.6834 6.6834 7.4110 7.4110 7.6267 7.6267 7.7066 7.7066 8.2444 8.2444 8.4193 8.4193 8.6871 8.6871 8.9498 8.9498 9.4756 9.4756 9.7322 9.7322 9.7984 9.7984 k = 0.0000 0.0000 0.3929 ( 8960 PWs) bands (ev): -3.9908 -3.9908 -3.6770 -3.6770 -3.2257 -3.2257 -3.0187 -3.0187 2.8690 2.8690 3.1822 3.1822 3.6440 3.6440 4.2543 4.2543 4.8940 4.8940 5.1589 5.1589 5.6790 5.6790 5.8934 5.8934 6.0664 6.0664 6.2825 6.2825 6.4438 6.4438 6.6631 6.6631 7.4044 7.4044 7.6310 7.6310 7.7054 7.7054 8.2617 8.2617 8.4153 8.4153 8.7137 8.7137 8.9958 8.9958 9.5053 9.5053 9.7031 9.7031 9.7810 9.7810 k = 0.0000 0.0000 0.4175 ( 8972 PWs) bands (ev): -3.9634 -3.9634 -3.7089 -3.7089 -3.2135 -3.2135 -3.0314 -3.0314 2.8886 2.8886 3.1616 3.1616 3.6935 3.6935 4.3141 4.3141 4.8165 4.8165 5.1082 5.1082 5.6982 5.6982 5.8887 5.8887 6.0625 6.0625 6.2756 6.2756 6.4471 6.4471 6.6442 6.6442 7.3986 7.3986 7.6353 7.6353 7.7045 7.7045 8.2768 8.2768 8.4119 8.4119 8.7359 8.7359 9.0413 9.0413 9.5336 9.5336 9.6600 9.6600 9.7641 9.7641 k = 0.0000 0.0000 0.4420 ( 8968 PWs) bands (ev): -3.9352 -3.9352 -3.7406 -3.7406 -3.2022 -3.2022 -3.0430 -3.0430 2.9069 2.9069 3.1420 3.1420 3.7382 3.7382 4.3730 4.3730 4.7427 4.7427 5.0639 5.0639 5.7168 5.7168 5.8798 5.8798 6.0616 6.0616 6.2712 6.2712 6.4492 6.4492 6.6280 6.6280 7.3938 7.3938 7.6390 7.6390 7.7038 7.7038 8.2891 8.2891 8.4092 8.4092 8.7534 8.7534 9.0845 9.0845 9.5546 9.5546 9.6190 9.6190 9.7428 9.7428 k = 0.0000 0.0000 0.4666 ( 8988 PWs) bands (ev): -3.9068 -3.9068 -3.7716 -3.7716 -3.1927 -3.1927 -3.0527 -3.0527 2.9225 2.9225 3.1252 3.1252 3.7746 3.7746 4.4307 4.4307 4.6737 4.6737 5.0287 5.0287 5.7334 5.7334 5.8689 5.8689 6.0622 6.0622 6.2689 6.2689 6.4502 6.4502 6.6156 6.6156 7.3902 7.3902 7.6419 7.6419 7.7033 7.7033 8.2982 8.2982 8.4073 8.4073 8.7661 8.7661 9.1226 9.1226 9.5442 9.5442 9.6131 9.6131 9.7186 9.7186 k = 0.0000 0.0000 0.4911 ( 8988 PWs) bands (ev): -3.8799 -3.8799 -3.8001 -3.8001 -3.1863 -3.1863 -3.0593 -3.0593 2.9334 2.9334 3.1135 3.1135 3.7986 3.7986 4.4868 4.4868 4.6105 4.6105 5.0058 5.0058 5.7458 5.7458 5.8595 5.8595 6.0631 6.0631 6.2680 6.2680 6.4505 6.4505 6.6077 6.6077 7.3881 7.3881 7.6438 7.6438 7.7031 7.7031 8.3039 8.3039 8.4061 8.4061 8.7738 8.7738 9.1502 9.1502 9.5179 9.5179 9.6340 9.6340 9.6938 9.6938 k = 0.0000 0.0000 0.5157 ( 8992 PWs) bands (ev): -3.8646 -3.8646 -3.8159 -3.8159 -3.1840 -3.1840 -3.0617 -3.0617 2.9374 2.9374 3.1092 3.1092 3.8070 3.8070 4.5295 4.5295 4.5655 4.5655 4.9978 4.9978 5.7507 5.7507 5.8556 5.8556 6.0634 6.0634 6.2678 6.2678 6.4506 6.4506 6.6050 6.6050 7.3873 7.3873 7.6444 7.6444 7.7030 7.7030 8.3058 8.3058 8.4057 8.4057 8.7764 8.7764 9.1606 9.1606 9.5067 9.5067 9.6503 9.6503 9.6772 9.6772 k = 0.0000 0.0000 0.5157 ( 8992 PWs) bands (ev): -3.8646 -3.8646 -3.8159 -3.8159 -3.1840 -3.1840 -3.0617 -3.0617 2.9374 2.9374 3.1092 3.1092 3.8070 3.8070 4.5295 4.5295 4.5655 4.5655 4.9978 4.9978 5.7507 5.7507 5.8556 5.8556 6.0634 6.0634 6.2678 6.2678 6.4506 6.4506 6.6050 6.6050 7.3873 7.3873 7.6444 7.6444 7.7030 7.7030 8.3058 8.3058 8.4057 8.4057 8.7764 8.7764 9.1606 9.1606 9.5067 9.5067 9.6503 9.6503 9.6772 9.6772 k =-0.0238 0.0060 0.5157 ( 8982 PWs) bands (ev): -3.8638 -3.8638 -3.8150 -3.8150 -3.1851 -3.1851 -3.0629 -3.0629 2.9396 2.9396 3.1116 3.1116 3.8073 3.8073 4.5236 4.5236 4.5732 4.5732 4.9955 4.9955 5.7510 5.7510 5.8526 5.8526 6.0560 6.0560 6.2675 6.2675 6.4529 6.4529 6.6063 6.6063 7.3856 7.3856 7.6467 7.6467 7.7038 7.7038 8.3035 8.3035 8.4080 8.4080 8.7734 8.7734 9.1610 9.1610 9.5060 9.5060 9.6422 9.6422 9.6896 9.6896 k =-0.0476 0.0120 0.5157 ( 8982 PWs) bands (ev): -3.8614 -3.8614 -3.8125 -3.8125 -3.1886 -3.1886 -3.0664 -3.0664 2.9460 2.9460 3.1188 3.1188 3.8079 3.8079 4.5128 4.5128 4.5895 4.5895 4.9887 4.9887 5.7521 5.7521 5.8426 5.8426 6.0370 6.0370 6.2661 6.2661 6.4584 6.4584 6.6099 6.6099 7.3805 7.3805 7.6538 7.6538 7.7063 7.7063 8.2967 8.2967 8.4148 8.4148 8.7647 8.7647 9.1621 9.1621 9.5040 9.5040 9.6315 9.6315 9.7127 9.7127 k =-0.0714 0.0180 0.5157 ( 8984 PWs) bands (ev): -3.8574 -3.8574 -3.8082 -3.8082 -3.1943 -3.1943 -3.0723 -3.0723 2.9568 2.9568 3.1306 3.1306 3.8090 3.8090 4.5024 4.5024 4.6088 4.6088 4.9776 4.9776 5.7539 5.7539 5.8226 5.8226 6.0140 6.0140 6.2625 6.2625 6.4632 6.4632 6.6159 6.6159 7.3721 7.3721 7.6654 7.6654 7.7108 7.7108 8.2860 8.2860 8.4258 8.4258 8.7504 8.7504 9.1640 9.1640 9.5009 9.5009 9.6247 9.6247 9.7389 9.7389 k =-0.0952 0.0240 0.5157 ( 8980 PWs) bands (ev): -3.8518 -3.8518 -3.8022 -3.8022 -3.2022 -3.2022 -3.0804 -3.0804 2.9717 2.9717 3.1468 3.1468 3.8105 3.8105 4.4939 4.4939 4.6293 4.6293 4.9626 4.9626 5.7562 5.7562 5.7900 5.7900 5.9947 5.9947 6.2565 6.2565 6.4642 6.4642 6.6231 6.6231 7.3606 7.3606 7.6815 7.6815 7.7176 7.7176 8.2723 8.2723 8.4406 8.4406 8.7311 8.7311 9.1668 9.1668 9.4967 9.4967 9.6227 9.6227 9.7655 9.7656 k =-0.1190 0.0300 0.5157 ( 8982 PWs) bands (ev): -3.8447 -3.8447 -3.7946 -3.7946 -3.2123 -3.2123 -3.0908 -3.0908 2.9907 2.9907 3.1673 3.1673 3.8125 3.8125 4.4874 4.4874 4.6500 4.6500 4.9441 4.9441 5.7424 5.7424 5.7619 5.7619 5.9825 5.9825 6.2477 6.2477 6.4601 6.4601 6.6296 6.6296 7.3463 7.3463 7.7019 7.7019 7.7271 7.7271 8.2563 8.2563 8.4586 8.4586 8.7075 8.7075 9.1705 9.1705 9.4912 9.4912 9.6255 9.6255 9.7906 9.7906 k =-0.1429 0.0361 0.5157 ( 8976 PWs) bands (ev): -3.8360 -3.8360 -3.7854 -3.7854 -3.2244 -3.2244 -3.1032 -3.1032 3.0137 3.0137 3.1917 3.1917 3.8151 3.8151 4.4830 4.4830 4.6695 4.6695 4.9233 4.9233 5.6885 5.6885 5.7655 5.7655 5.9766 5.9766 6.2363 6.2363 6.4509 6.4509 6.6334 6.6334 7.3296 7.3296 7.7259 7.7259 7.7395 7.7395 8.2392 8.2392 8.4794 8.4794 8.6804 8.6804 9.1753 9.1753 9.4843 9.4843 9.6330 9.6330 9.8120 9.8120 k =-0.1667 0.0421 0.5157 ( 8974 PWs) bands (ev): -3.8259 -3.8259 -3.7746 -3.7746 -3.2385 -3.2385 -3.1176 -3.1176 3.0404 3.0404 3.2195 3.2195 3.8184 3.8184 4.4803 4.4803 4.6862 4.6862 4.9022 4.9022 5.6284 5.6284 5.7710 5.7710 5.9748 5.9748 6.2223 6.2223 6.4371 6.4371 6.6331 6.6331 7.3109 7.3109 7.7497 7.7497 7.7581 7.7581 8.2220 8.2220 8.5022 8.5022 8.6508 8.6508 9.1813 9.1813 9.4759 9.4759 9.6447 9.6447 9.8281 9.8282 k =-0.1905 0.0481 0.5157 ( 8982 PWs) bands (ev): -3.8142 -3.8142 -3.7623 -3.7623 -3.2543 -3.2543 -3.1338 -3.1338 3.0707 3.0707 3.2502 3.2502 3.8228 3.8228 4.4785 4.4785 4.6968 4.6968 4.8839 4.8839 5.5663 5.5663 5.7775 5.7775 5.9753 5.9753 6.2061 6.2061 6.4196 6.4196 6.6280 6.6280 7.2907 7.2907 7.7672 7.7672 7.7875 7.7875 8.2058 8.2058 8.5261 8.5261 8.6202 8.6202 9.1885 9.1885 9.4664 9.4664 9.6597 9.6597 9.8390 9.8393 k =-0.2143 0.0541 0.5157 ( 8982 PWs) bands (ev): -3.8011 -3.8011 -3.7486 -3.7486 -3.2719 -3.2719 -3.1516 -3.1516 3.1044 3.1044 3.2831 3.2831 3.8286 3.8286 4.4765 4.4765 4.6971 4.6971 4.8734 4.8734 5.5046 5.5046 5.7849 5.7849 5.9765 5.9765 6.1880 6.1880 6.3988 6.3988 6.6184 6.6184 7.2696 7.2696 7.7834 7.7834 7.8211 7.8211 8.1920 8.1920 8.5483 8.5483 8.5916 8.5916 9.1971 9.1971 9.4558 9.4558 9.6771 9.6771 9.8464 9.8465 k =-0.2381 0.0601 0.5157 ( 8986 PWs) bands (ev): -3.7867 -3.7867 -3.7335 -3.7335 -3.2909 -3.2909 -3.1710 -3.1710 3.1410 3.1410 3.3174 3.3174 3.8365 3.8365 4.4726 4.4726 4.6846 4.6846 4.8741 4.8741 5.4453 5.4453 5.7927 5.7927 5.9770 5.9770 6.1688 6.1688 6.3756 6.3756 6.6050 6.6050 7.2480 7.2480 7.7984 7.7984 7.8568 7.8568 8.1815 8.1815 8.5456 8.5456 8.5884 8.5884 9.2071 9.2071 9.4448 9.4448 9.6962 9.6962 9.8519 9.8520 k =-0.2619 0.0661 0.5157 ( 8970 PWs) bands (ev): -3.7709 -3.7709 -3.7171 -3.7171 -3.3113 -3.3113 -3.1917 -3.1917 3.1804 3.1804 3.3521 3.3521 3.8472 3.8472 4.4647 4.4647 4.6615 4.6615 4.8850 4.8850 5.3903 5.3903 5.8007 5.8007 5.9755 5.9755 6.1499 6.1499 6.3504 6.3504 6.5887 6.5887 7.2264 7.2264 7.8109 7.8109 7.8939 7.8939 8.1756 8.1756 8.5174 8.5174 8.6114 8.6114 9.2187 9.2187 9.4334 9.4334 9.7162 9.7162 9.8566 9.8566 k =-0.2857 0.0721 0.5157 ( 8958 PWs) bands (ev): -3.7538 -3.7538 -3.6996 -3.6996 -3.3330 -3.3330 -3.2134 -3.2134 3.2219 3.2219 3.3861 3.3861 3.8614 3.8614 4.4502 4.4502 4.6327 4.6327 4.9025 4.9025 5.3413 5.3413 5.8077 5.8077 5.9708 5.9708 6.1330 6.1330 6.3241 6.3241 6.5707 6.5707 7.2053 7.2053 7.8196 7.8196 7.9317 7.9317 8.1748 8.1748 8.4868 8.4868 8.6371 8.6371 9.2319 9.2319 9.4222 9.4222 9.7365 9.7365 9.8609 9.8610 k =-0.3095 0.0781 0.5157 ( 8946 PWs) bands (ev): -3.7355 -3.7355 -3.6811 -3.6811 -3.3556 -3.3556 -3.2360 -3.2360 3.2651 3.2651 3.4182 3.4182 3.8802 3.8802 4.4274 4.4274 4.6019 4.6019 4.9237 4.9237 5.2996 5.2996 5.8120 5.8120 5.9627 5.9627 6.1199 6.1199 6.2973 6.2973 6.5520 6.5520 7.1851 7.1851 7.8243 7.8243 7.9694 7.9694 8.1793 8.1793 8.4568 8.4568 8.6627 8.6627 9.2465 9.2465 9.4113 9.4113 9.7565 9.7565 9.8654 9.8654 k =-0.3333 0.0841 0.5157 ( 8958 PWs) bands (ev): -3.7160 -3.7160 -3.6618 -3.6618 -3.3792 -3.3792 -3.2591 -3.2591 3.3091 3.3091 3.4476 3.4476 3.9040 3.9040 4.3960 4.3960 4.5705 4.5705 4.9466 4.9466 5.2667 5.2667 5.8107 5.8107 5.9536 5.9536 6.1113 6.1113 6.2708 6.2708 6.5336 6.5336 7.1663 7.1663 7.8251 7.8251 8.0064 8.0064 8.1883 8.1883 8.4276 8.4276 8.6872 8.6872 9.2626 9.2626 9.4011 9.4011 9.7755 9.7755 9.8703 9.8703 k =-0.3571 0.0901 0.5157 ( 8960 PWs) bands (ev): -3.6955 -3.6955 -3.6420 -3.6420 -3.4035 -3.4035 -3.2825 -3.2825 3.3530 3.3530 3.4735 3.4735 3.9334 3.9334 4.3579 4.3579 4.5377 4.5377 4.9695 4.9695 5.2434 5.2434 5.8004 5.8004 5.9480 5.9480 6.1064 6.1064 6.2452 6.2452 6.5162 6.5162 7.1490 7.1490 7.8228 7.8228 8.0422 8.0422 8.2006 8.2006 8.3995 8.3995 8.7101 8.7101 9.2797 9.2797 9.3918 9.3918 9.7931 9.7931 9.8759 9.8759 k =-0.3810 0.0961 0.5157 ( 8960 PWs) bands (ev): -3.6740 -3.6740 -3.6220 -3.6220 -3.4283 -3.4283 -3.3056 -3.3056 3.3950 3.3950 3.4959 3.4959 3.9678 3.9678 4.3166 4.3166 4.5021 4.5021 4.9909 4.9909 5.2300 5.2300 5.7802 5.7802 5.9491 5.9491 6.1035 6.1035 6.2213 6.2213 6.5005 6.5005 7.1338 7.1338 7.8187 7.8187 8.0765 8.0765 8.2145 8.2145 8.3724 8.3724 8.7307 8.7307 9.2973 9.2973 9.3839 9.3839 9.8087 9.8087 9.8820 9.8820 k =-0.4048 0.1021 0.5157 ( 8966 PWs) bands (ev): -3.6516 -3.6516 -3.6024 -3.6024 -3.4535 -3.4535 -3.3278 -3.3278 3.4329 3.4329 3.5156 3.5156 4.0061 4.0061 4.2758 4.2758 4.4632 4.4632 5.0093 5.0093 5.2260 5.2260 5.7533 5.7533 5.9563 5.9563 6.1009 6.1009 6.2002 6.2002 6.4869 6.4869 7.1209 7.1209 7.8137 7.8137 8.1089 8.1089 8.2283 8.2283 8.3465 8.3465 8.7485 8.7485 9.3143 9.3143 9.3779 9.3779 9.8217 9.8217 9.8886 9.8886 k =-0.4286 0.1082 0.5157 ( 8958 PWs) bands (ev): -3.6285 -3.6285 -3.5841 -3.5841 -3.4789 -3.4789 -3.3482 -3.3482 3.4636 3.4636 3.5340 3.5340 4.0458 4.0458 4.2397 4.2397 4.4217 4.4217 5.0236 5.0236 5.2294 5.2294 5.7245 5.7245 5.9670 5.9670 6.0969 6.0969 6.1832 6.1832 6.4760 6.4760 7.1105 7.1105 7.8089 7.8089 8.1392 8.1392 8.2401 8.2401 8.3221 8.3221 8.7630 8.7630 9.3289 9.3289 9.3745 9.3745 9.8315 9.8315 9.8952 9.8952 k =-0.4524 0.1142 0.5157 ( 8952 PWs) bands (ev): -3.6046 -3.6046 -3.5684 -3.5684 -3.5044 -3.5044 -3.3654 -3.3654 3.4846 3.4846 3.5512 3.5512 4.0817 4.0817 4.2142 4.2142 4.3802 4.3802 5.0334 5.0334 5.2367 5.2367 5.6991 5.6991 5.9787 5.9787 6.0910 6.0910 6.1714 6.1714 6.4680 6.4680 7.1030 7.1030 7.8050 7.8050 8.1670 8.1670 8.2477 8.2477 8.3003 8.3003 8.7737 8.7737 9.3388 9.3388 9.3747 9.3747 9.8377 9.8377 9.9009 9.9013 k =-0.4762 0.1202 0.5157 ( 8964 PWs) bands (ev): -3.5802 -3.5802 -3.5574 -3.5574 -3.5297 -3.5297 -3.3774 -3.3774 3.4959 3.4959 3.5644 3.5644 4.1053 4.1053 4.2055 4.2055 4.3447 4.3447 5.0390 5.0390 5.2437 5.2437 5.6814 5.6814 5.9882 5.9882 6.0849 6.0849 6.1648 6.1648 6.4631 6.4631 7.0983 7.0983 7.8025 7.8025 8.1904 8.1904 8.2480 8.2480 8.2852 8.2852 8.7803 8.7803 9.3433 9.3433 9.3774 9.3774 9.8406 9.8406 9.9077 9.9093 k =-0.5000 0.1262 0.5157 ( 8948 PWs) bands (ev): -3.5566 -3.5566 -3.5561 -3.5561 -3.5510 -3.5510 -3.3817 -3.3817 3.4994 3.4994 3.5694 3.5694 4.1121 4.1121 4.2071 4.2071 4.3290 4.3290 5.0408 5.0408 5.2466 5.2466 5.6750 5.6750 5.9920 5.9920 6.0821 6.0821 6.1628 6.1628 6.4614 6.4614 7.0968 7.0968 7.8016 7.8016 8.2019 8.2019 8.2441 8.2441 8.2806 8.2806 8.7826 8.7826 9.3444 9.3444 9.3789 9.3789 9.8412 9.8412 9.9023 9.9024 k =-0.5000 0.1262 0.5157 ( 8948 PWs) bands (ev): -3.5566 -3.5566 -3.5561 -3.5561 -3.5510 -3.5510 -3.3817 -3.3817 3.4994 3.4994 3.5694 3.5694 4.1121 4.1121 4.2071 4.2071 4.3290 4.3290 5.0408 5.0408 5.2466 5.2466 5.6750 5.6750 5.9920 5.9920 6.0821 6.0821 6.1628 6.1628 6.4614 6.4614 7.0968 7.0968 7.8016 7.8016 8.2019 8.2019 8.2441 8.2441 8.2806 8.2806 8.7826 8.7826 9.3444 9.3444 9.3789 9.3789 9.8412 9.8412 9.9023 9.9023 k =-0.4833 0.1220 0.4985 ( 8964 PWs) bands (ev): -3.5821 -3.5821 -3.5524 -3.5524 -3.5329 -3.5329 -3.3774 -3.3774 3.4959 3.4959 3.5646 3.5646 4.1054 4.1054 4.2055 4.2055 4.3444 4.3444 5.0389 5.0389 5.2440 5.2440 5.6812 5.6812 5.9881 5.9881 6.0850 6.0850 6.1646 6.1646 6.4630 6.4630 7.0983 7.0983 7.8025 7.8025 8.1905 8.1905 8.2484 8.2484 8.2848 8.2848 8.7804 8.7804 9.3423 9.3423 9.3786 9.3786 9.8405 9.8405 9.9087 9.9089 k =-0.4667 0.1178 0.4813 ( 8956 PWs) bands (ev): -3.6116 -3.6116 -3.5509 -3.5509 -3.5155 -3.5155 -3.3648 -3.3648 3.4852 3.4852 3.5512 3.5512 4.0819 4.0819 4.2144 4.2144 4.3792 4.3792 5.0325 5.0325 5.2386 5.2386 5.6981 5.6981 5.9782 5.9782 6.0925 6.0925 6.1702 6.1702 6.4679 6.4679 7.1028 7.1028 7.8050 7.8050 8.1677 8.1677 8.2480 8.2480 8.2994 8.2994 8.7740 8.7740 9.3287 9.3287 9.3858 9.3858 9.8373 9.8373 9.9015 9.9209 k =-0.4500 0.1136 0.4641 ( 8946 PWs) bands (ev): -3.6432 -3.6432 -3.5485 -3.5485 -3.5025 -3.5025 -3.3455 -3.3455 3.4667 3.4667 3.5321 3.5321 4.0452 4.0452 4.2409 4.2409 4.4193 4.4193 5.0205 5.0205 5.2361 5.2361 5.7218 5.7218 5.9651 5.9651 6.1026 6.1026 6.1789 6.1789 6.4759 6.4759 7.1102 7.1102 7.8091 7.8091 8.1414 8.1414 8.2393 8.2393 8.3205 8.3205 8.7642 8.7642 9.3009 9.3009 9.4055 9.4055 9.8300 9.8300 9.8969 9.8970 k =-0.4333 0.1094 0.4469 ( 8953 PWs) bands (ev): -3.6759 -3.6759 -3.5452 -3.5452 -3.4928 -3.4928 -3.3215 -3.3215 3.4401 3.4401 3.5103 3.5103 4.0029 4.0029 4.2803 4.2803 4.4570 4.4570 5.0039 5.0039 5.2412 5.2412 5.7473 5.7473 5.9517 5.9517 6.1139 6.1139 6.1904 6.1904 6.4870 6.4870 7.1204 7.1204 7.8143 7.8143 8.1134 8.1134 8.2255 8.2255 8.3435 8.3435 8.7518 8.7518 9.2642 9.2642 9.4344 9.4344 9.8184 9.8184 9.8920 9.8920 k =-0.4167 0.1051 0.4297 ( 8951 PWs) bands (ev): -3.7093 -3.7093 -3.5410 -3.5410 -3.4850 -3.4850 -3.2946 -3.2946 3.4064 3.4064 3.4874 3.4874 3.9593 3.9593 4.3286 4.3286 4.4866 4.4866 4.9876 4.9876 5.2552 5.2552 5.7699 5.7699 5.9409 5.9409 6.1261 6.1261 6.2038 6.2038 6.5011 6.5011 7.1331 7.1331 7.8203 7.8203 8.0841 8.0841 8.2085 8.2085 8.3669 8.3669 8.7378 8.7378 9.2223 9.2223 9.4706 9.4706 9.8027 9.8027 9.8873 9.8873 k =-0.4000 0.1009 0.4125 ( 8955 PWs) bands (ev): -3.7428 -3.7428 -3.5359 -3.5359 -3.4783 -3.4783 -3.2662 -3.2662 3.3674 3.3674 3.4638 3.4638 3.9162 3.9162 4.3829 4.3829 4.5023 4.5023 4.9789 4.9789 5.2774 5.2774 5.7849 5.7849 5.9359 5.9359 6.1391 6.1391 6.2187 6.2187 6.5180 6.5180 7.1480 7.1480 7.8264 7.8264 8.0536 8.0536 8.1898 8.1898 8.3900 8.3900 8.7229 8.7229 9.1775 9.1775 9.5126 9.5126 9.7836 9.7836 9.8829 9.8829 k =-0.3833 0.0967 0.3954 ( 8953 PWs) bands (ev): -3.7763 -3.7763 -3.5299 -3.5299 -3.4721 -3.4721 -3.2373 -3.2373 3.3249 3.3249 3.4398 3.4398 3.8744 3.8744 4.4404 4.4404 4.5013 4.5013 4.9840 4.9840 5.3061 5.3061 5.7889 5.7889 5.9392 5.9392 6.1527 6.1527 6.2344 6.2344 6.5376 6.5376 7.1648 7.1648 7.8320 7.8320 8.0220 8.0220 8.1707 8.1707 8.4123 8.4123 8.7078 8.7078 9.1312 9.1312 9.5595 9.5595 9.7614 9.7614 9.8787 9.8787 k =-0.3667 0.0925 0.3782 ( 8961 PWs) bands (ev): -3.8095 -3.8095 -3.5232 -3.5232 -3.4660 -3.4660 -3.2084 -3.2084 3.2802 3.2802 3.4153 3.4153 3.8344 3.8344 4.4695 4.4695 4.5135 4.5135 5.0048 5.0048 5.3399 5.3399 5.7825 5.7825 5.9496 5.9496 6.1668 6.1668 6.2505 6.2505 6.5596 6.5596 7.1834 7.1834 7.8363 7.8363 7.9893 7.9893 8.1524 8.1524 8.4338 8.4338 8.6930 8.6930 9.0843 9.0843 9.6103 9.6103 9.7366 9.7366 9.8745 9.8746 k =-0.3500 0.0883 0.3610 ( 8957 PWs) bands (ev): -3.8421 -3.8421 -3.5158 -3.5158 -3.4599 -3.4599 -3.1800 -3.1800 3.2342 3.2342 3.3908 3.3908 3.7964 3.7964 4.4368 4.4368 4.5752 4.5752 5.0389 5.0389 5.3777 5.3777 5.7693 5.7693 5.9639 5.9639 6.1810 6.1810 6.2666 6.2666 6.5836 6.5836 7.2032 7.2032 7.8383 7.8383 7.9557 7.9557 8.1360 8.1360 8.4542 8.4542 8.6790 8.6790 9.0377 9.0377 9.6636 9.6636 9.7102 9.7102 9.8704 9.8705 k =-0.3333 0.0841 0.3438 ( 8965 PWs) bands (ev): -3.8740 -3.8740 -3.5077 -3.5077 -3.4537 -3.4537 -3.1523 -3.1523 3.1878 3.1878 3.3667 3.3667 3.7605 3.7605 4.3900 4.3900 4.6428 4.6428 5.0824 5.0824 5.4186 5.4186 5.7524 5.7524 5.9794 5.9794 6.1950 6.1950 6.2823 6.2823 6.6094 6.6094 7.2241 7.2241 7.8374 7.8374 7.9216 7.9216 8.1223 8.1223 8.4731 8.4731 8.6659 8.6659 8.9919 8.9919 9.6757 9.6757 9.7248 9.7248 9.8664 9.8664 k =-0.3167 0.0799 0.3266 ( 8977 PWs) bands (ev): -3.9051 -3.9051 -3.4990 -3.4990 -3.4473 -3.4473 -3.1257 -3.1257 3.1413 3.1413 3.3433 3.3433 3.7266 3.7266 4.3363 4.3363 4.7125 4.7125 5.1316 5.1316 5.4617 5.4617 5.7336 5.7336 5.9945 5.9945 6.2085 6.2085 6.2970 6.2970 6.6366 6.6366 7.2456 7.2456 7.8324 7.8324 7.8883 7.8883 8.1115 8.1115 8.4902 8.4902 8.6538 8.6538 8.9471 8.9471 9.6439 9.6439 9.7814 9.7814 9.8627 9.8628 k =-0.3000 0.0757 0.3094 ( 8973 PWs) bands (ev): -3.9353 -3.9353 -3.4897 -3.4897 -3.4407 -3.4407 -3.1001 -3.1001 3.0953 3.0953 3.3209 3.3209 3.6948 3.6948 4.2790 4.2790 4.7837 4.7837 5.1840 5.1840 5.5064 5.5064 5.7142 5.7142 6.0087 6.0087 6.2215 6.2215 6.3105 6.3105 6.6647 6.6647 7.2676 7.2676 7.8207 7.8207 7.8588 7.8588 8.1033 8.1033 8.5050 8.5050 8.6430 8.6430 8.9038 8.9038 9.6085 9.6085 9.8258 9.8258 9.8650 9.8654 k =-0.2833 0.0715 0.2922 ( 8959 PWs) bands (ev): -3.9644 -3.9644 -3.4801 -3.4801 -3.4340 -3.4340 -3.0759 -3.0759 3.0501 3.0501 3.2998 3.2998 3.6651 3.6651 4.2202 4.2202 4.8560 4.8560 5.2375 5.2375 5.5518 5.5518 5.6949 5.6949 6.0219 6.0219 6.2338 6.2338 6.3223 6.3223 6.6931 6.6931 7.2897 7.2897 7.7979 7.7979 7.8387 7.8387 8.0973 8.0973 8.5170 8.5170 8.6333 8.6333 8.8622 8.8622 9.5709 9.5709 9.8267 9.8267 9.8664 9.8664 k =-0.2667 0.0673 0.2750 ( 8967 PWs) bands (ev): -3.9923 -3.9923 -3.4701 -3.4701 -3.4271 -3.4271 -3.0531 -3.0531 3.0060 3.0060 3.2801 3.2801 3.6373 3.6373 4.1615 4.1615 4.9289 4.9289 5.2909 5.2909 5.5970 5.5970 5.6767 5.6767 6.0341 6.0341 6.2454 6.2454 6.3323 6.3323 6.7214 6.7214 7.3117 7.3117 7.7677 7.7677 7.8258 7.8258 8.0925 8.0925 8.5252 8.5252 8.6248 8.6248 8.8224 8.8224 9.5320 9.5320 9.8138 9.8138 9.8667 9.8667 k =-0.2500 0.0631 0.2578 ( 8965 PWs) bands (ev): -4.0190 -4.0190 -3.4598 -3.4598 -3.4203 -3.4203 -3.0318 -3.0318 2.9633 2.9633 3.2621 3.2621 3.6112 3.6112 4.1038 4.1038 5.0021 5.0021 5.3431 5.3431 5.6368 5.6368 5.6645 5.6645 6.0456 6.0456 6.2565 6.2565 6.3403 6.3403 6.7490 6.7490 7.3334 7.3334 7.7360 7.7360 7.8153 7.8153 8.0881 8.0881 8.5290 8.5290 8.6171 8.6171 8.7846 8.7846 9.4928 9.4928 9.7999 9.7999 9.8694 9.8694 k =-0.2333 0.0589 0.2406 ( 8965 PWs) bands (ev): -4.0443 -4.0443 -3.4494 -3.4494 -3.4134 -3.4134 -3.0119 -3.0119 2.9223 2.9223 3.2458 3.2458 3.5869 3.5869 4.0481 4.0481 5.0752 5.0752 5.3931 5.3931 5.6366 5.6366 5.6925 5.6925 6.0566 6.0566 6.2670 6.2670 6.3465 6.3465 6.7750 6.7750 7.3546 7.3546 7.7055 7.7055 7.8060 7.8060 8.0834 8.0834 8.5279 8.5279 8.6097 8.6097 8.7489 8.7489 9.4544 9.4544 9.7868 9.7868 9.8747 9.8747 k =-0.2167 0.0547 0.2235 ( 8955 PWs) bands (ev): -4.0682 -4.0682 -3.4390 -3.4390 -3.4066 -3.4066 -2.9936 -2.9936 2.8831 2.8831 3.2313 3.2313 3.5640 3.5640 3.9951 3.9951 5.1479 5.1479 5.4397 5.4397 5.6232 5.6232 5.7337 5.7337 6.0676 6.0676 6.2770 6.2770 6.3511 6.3511 6.7988 6.7988 7.3751 7.3751 7.6776 7.6776 7.7980 7.7980 8.0780 8.0780 8.5216 8.5216 8.6018 8.6018 8.7154 8.7154 9.4182 9.4182 9.7753 9.7753 9.8826 9.8826 k =-0.2000 0.0505 0.2063 ( 8955 PWs) bands (ev): -4.0906 -4.0906 -3.4287 -3.4287 -3.3999 -3.3999 -2.9769 -2.9769 2.8461 2.8461 3.2187 3.2187 3.5424 3.5424 3.9452 3.9452 5.2195 5.2195 5.4813 5.4813 5.6122 5.6122 5.7732 5.7732 6.0793 6.0793 6.2867 6.2867 6.3544 6.3544 6.8194 6.8194 7.3946 7.3946 7.6533 7.6533 7.7915 7.7915 8.0714 8.0714 8.5100 8.5100 8.5925 8.5925 8.6840 8.6840 9.3852 9.3852 9.7658 9.7658 9.8933 9.8933 k =-0.1833 0.0463 0.1891 ( 8957 PWs) bands (ev): -4.1114 -4.1114 -3.4185 -3.4185 -3.3934 -3.3934 -2.9618 -2.9618 2.8113 2.8113 3.2078 3.2078 3.5218 3.5218 3.8992 3.8992 5.2896 5.2896 5.5141 5.5141 5.6075 5.6075 5.8090 5.8090 6.0924 6.0924 6.2959 6.2959 6.3569 6.3569 6.8359 6.8359 7.4128 7.4128 7.6339 7.6339 7.7865 7.7865 8.0637 8.0637 8.4930 8.4930 8.5818 8.5818 8.6545 8.6545 9.3564 9.3564 9.7583 9.7583 9.9066 9.9066 k =-0.1667 0.0421 0.1719 ( 8953 PWs) bands (ev): -4.1307 -4.1307 -3.4088 -3.4088 -3.3872 -3.3872 -2.9482 -2.9482 2.7790 2.7790 3.1988 3.1988 3.5019 3.5019 3.8573 3.8573 5.3574 5.3574 5.5319 5.5319 5.6155 5.6155 5.8399 5.8399 6.1080 6.1080 6.3047 6.3047 6.3590 6.3590 6.8473 6.8473 7.4294 7.4294 7.6206 7.6206 7.7833 7.7833 8.0547 8.0547 8.4699 8.4699 8.5701 8.5701 8.6271 8.6271 9.3321 9.3321 9.7530 9.7530 9.9221 9.9221 k =-0.1500 0.0379 0.1547 ( 8947 PWs) bands (ev): -4.1482 -4.1482 -3.3995 -3.3995 -3.3813 -3.3813 -2.9362 -2.9362 2.7493 2.7493 3.1916 3.1916 3.4826 3.4826 3.8200 3.8200 5.4220 5.4220 5.5348 5.5348 5.6361 5.6361 5.8652 5.8652 6.1268 6.1268 6.3130 6.3130 6.3611 6.3611 6.8531 6.8531 7.4439 7.4439 7.6144 7.6144 7.7818 7.7818 8.0443 8.0443 8.4408 8.4408 8.5581 8.5581 8.6018 8.6018 9.3126 9.3126 9.7496 9.7496 9.9395 9.9395 k =-0.1333 0.0336 0.1375 ( 8961 PWs) bands (ev): -4.1640 -4.1640 -3.3909 -3.3909 -3.3757 -3.3757 -2.9256 -2.9256 2.7223 2.7223 3.1860 3.1860 3.4637 3.4637 3.7875 3.7875 5.4811 5.4811 5.5321 5.5321 5.6613 5.6613 5.8847 5.8847 6.1491 6.1491 6.3206 6.3206 6.3635 6.3635 6.8527 6.8527 7.4560 7.4560 7.6162 7.6162 7.7820 7.7820 8.0325 8.0325 8.4060 8.4060 8.5462 8.5462 8.5789 8.5789 9.2973 9.2973 9.7479 9.7479 9.9581 9.9581 k =-0.1167 0.0294 0.1203 ( 8969 PWs) bands (ev): -4.1781 -4.1781 -3.3830 -3.3830 -3.3704 -3.3704 -2.9164 -2.9164 2.6983 2.6983 3.1822 3.1822 3.4453 3.4453 3.7599 3.7599 5.5149 5.5149 5.5474 5.5474 5.6866 5.6866 5.8988 5.8988 6.1746 6.1746 6.3272 6.3272 6.3663 6.3663 6.8462 6.8462 7.4657 7.4657 7.6260 7.6260 7.7838 7.7838 8.0193 8.0193 8.3667 8.3667 8.5350 8.5350 8.5586 8.5586 9.2857 9.2857 9.7477 9.7477 9.9771 9.9771 k =-0.1000 0.0252 0.1031 ( 8975 PWs) bands (ev): -4.1903 -4.1903 -3.3761 -3.3761 -3.3656 -3.3656 -2.9087 -2.9087 2.6772 2.6772 3.1798 3.1798 3.4275 3.4275 3.7370 3.7370 5.5125 5.5125 5.5915 5.5915 5.7112 5.7112 5.9082 5.9082 6.2025 6.2025 6.3327 6.3327 6.3697 6.3697 6.8343 6.8343 7.4734 7.4734 7.6432 7.6432 7.7870 7.7870 8.0045 8.0045 8.3248 8.3248 8.5244 8.5244 8.5413 8.5413 9.2772 9.2772 9.7487 9.7487 9.9955 9.9955 k =-0.0833 0.0210 0.0859 ( 8977 PWs) bands (ev): -4.2008 -4.2008 -3.3702 -3.3702 -3.3612 -3.3612 -2.9022 -2.9022 2.6592 2.6592 3.1787 3.1787 3.4107 3.4107 3.7187 3.7187 5.5071 5.5071 5.6296 5.6296 5.7365 5.7365 5.9138 5.9138 6.2315 6.2315 6.3372 6.3372 6.3732 6.3732 6.8181 6.8181 7.4796 7.4796 7.6667 7.6667 7.7912 7.7912 7.9876 7.9876 8.2824 8.2824 8.5148 8.5148 8.5269 8.5269 9.2710 9.2710 9.7503 9.7503 10.0124 10.0124 k =-0.0667 0.0168 0.0688 ( 8977 PWs) bands (ev): -4.2093 -4.2093 -3.3656 -3.3656 -3.3573 -3.3573 -2.8971 -2.8971 2.6443 2.6443 3.1786 3.1786 3.3954 3.3954 3.7045 3.7045 5.5022 5.5022 5.6570 5.6570 5.7633 5.7633 5.9161 5.9161 6.2603 6.2603 6.3407 6.3407 6.3763 6.3763 6.7993 6.7993 7.4846 7.4846 7.6951 7.6951 7.7960 7.7960 7.9683 7.9683 8.2422 8.2422 8.5061 8.5061 8.5155 8.5155 9.2667 9.2667 9.7523 9.7523 10.0273 10.0273 k =-0.0500 0.0126 0.0516 ( 8979 PWs) bands (ev): -4.2160 -4.2160 -3.3621 -3.3621 -3.3539 -3.3539 -2.8931 -2.8931 2.6327 2.6327 3.1792 3.1792 3.3825 3.3825 3.6940 3.6940 5.4982 5.4982 5.6745 5.6745 5.7904 5.7904 5.9153 5.9153 6.2871 6.2871 6.3440 6.3440 6.3782 6.3782 6.7801 6.7801 7.4886 7.4886 7.7270 7.7270 7.8008 7.8008 7.9458 7.9458 8.2071 8.2071 8.4987 8.4987 8.5072 8.5072 9.2638 9.2638 9.7542 9.7542 10.0393 10.0393 k =-0.0333 0.0084 0.0344 ( 8989 PWs) bands (ev): -4.2208 -4.2208 -3.3597 -3.3597 -3.3514 -3.3514 -2.8903 -2.8903 2.6244 2.6244 3.1802 3.1802 3.3725 3.3725 3.6868 3.6868 5.4953 5.4953 5.6847 5.6847 5.8149 5.8149 5.9119 5.9119 6.3092 6.3092 6.3477 6.3477 6.3781 6.3781 6.7633 6.7633 7.4915 7.4915 7.7603 7.7603 7.8051 7.8051 7.9203 7.9203 8.1799 8.1799 8.4929 8.4929 8.5015 8.5015 9.2620 9.2620 9.7559 9.7559 10.0481 10.0481 k =-0.0167 0.0042 0.0172 ( 8985 PWs) bands (ev): -4.2237 -4.2237 -3.3583 -3.3583 -3.3498 -3.3498 -2.8886 -2.8886 2.6194 2.6194 3.1809 3.1809 3.3662 3.3662 3.6826 3.6826 5.4935 5.4935 5.6899 5.6899 5.8330 5.8330 5.9073 5.9073 6.3232 6.3232 6.3532 6.3532 6.3756 6.3756 6.7516 6.7516 7.4932 7.4932 7.7904 7.7904 7.8092 7.8092 7.8942 7.8942 8.1627 8.1627 8.4893 8.4893 8.4982 8.4982 9.2609 9.2609 9.7569 9.7569 10.0535 10.0535 k = 0.0000 0.0000 0.0000 ( 8981 PWs) bands (ev): -4.2246 -4.2246 -3.3578 -3.3578 -3.3492 -3.3492 -2.8881 -2.8881 2.6177 2.6177 3.1812 3.1812 3.3640 3.3640 3.6812 3.6812 5.4930 5.4930 5.6914 5.6914 5.8400 5.8400 5.9050 5.9050 6.3275 6.3275 6.3573 6.3573 6.3732 6.3732 6.7474 6.7474 7.4938 7.4938 7.8023 7.8023 7.8146 7.8146 7.8796 7.8796 8.1568 8.1568 8.4881 8.4881 8.4971 8.4971 9.2606 9.2606 9.7573 9.7573 10.0553 10.0553 k = 0.0000 0.0000 0.0000 ( 8981 PWs) bands (ev): -4.2246 -4.2246 -3.3578 -3.3578 -3.3492 -3.3492 -2.8881 -2.8881 2.6177 2.6177 3.1812 3.1812 3.3640 3.3640 3.6812 3.6812 5.4930 5.4930 5.6914 5.6914 5.8400 5.8400 5.9050 5.9050 6.3275 6.3275 6.3573 6.3573 6.3732 6.3732 6.7474 6.7474 7.4938 7.4938 7.8023 7.8023 7.8146 7.8146 7.8796 7.8796 8.1568 8.1568 8.4881 8.4881 8.4971 8.4971 9.2606 9.2606 9.7573 9.7573 10.0553 10.0553 k = 0.0060 0.0238 0.0000 ( 8985 PWs) bands (ev): -4.2235 -4.2235 -3.3572 -3.3572 -3.3486 -3.3486 -2.8880 -2.8880 2.6193 2.6193 3.1823 3.1823 3.3653 3.3653 3.6826 3.6826 5.4907 5.4907 5.6894 5.6894 5.8392 5.8392 5.9028 5.9028 6.3228 6.3228 6.3435 6.3435 6.3807 6.3807 6.7475 6.7475 7.4826 7.4826 7.8032 7.8032 7.8173 7.8173 7.8806 7.8806 8.1620 8.1620 8.4884 8.4884 8.4973 8.4973 9.2564 9.2564 9.7523 9.7523 10.0676 10.0676 k = 0.0120 0.0475 0.0000 ( 8981 PWs) bands (ev): -4.2200 -4.2200 -3.3553 -3.3553 -3.3467 -3.3467 -2.8878 -2.8878 2.6241 2.6241 3.1854 3.1854 3.3693 3.3693 3.6868 3.6868 5.4842 5.4842 5.6833 5.6833 5.8368 5.8368 5.8963 5.8963 6.3090 6.3090 6.3182 6.3182 6.3872 6.3872 6.7478 6.7478 7.4496 7.4496 7.8068 7.8068 7.8251 7.8251 7.8835 7.8835 8.1759 8.1759 8.4894 8.4894 8.4981 8.4981 9.2438 9.2438 9.7394 9.7394 10.1017 10.1017 k = 0.0180 0.0713 0.0000 ( 8993 PWs) bands (ev): -4.2142 -4.2142 -3.3521 -3.3521 -3.3436 -3.3436 -2.8876 -2.8876 2.6322 2.6322 3.1905 3.1905 3.3759 3.3759 3.6938 3.6938 5.4733 5.4733 5.6731 5.6731 5.8324 5.8324 5.8855 5.8855 6.2858 6.2858 6.2871 6.2871 6.3883 6.3883 6.7482 6.7482 7.3974 7.3974 7.8149 7.8149 7.8374 7.8374 7.8883 7.8883 8.1952 8.1952 8.4913 8.4913 8.4997 8.4997 9.2231 9.2231 9.7229 9.7229 10.1524 10.1524 k = 0.0240 0.0951 0.0000 ( 8965 PWs) bands (ev): -4.2061 -4.2061 -3.3477 -3.3477 -3.3393 -3.3393 -2.8872 -2.8872 2.6434 2.6434 3.1977 3.1977 3.3850 3.3850 3.7035 3.7035 5.4583 5.4583 5.6586 5.6586 5.8252 5.8252 5.8705 5.8705 6.2501 6.2501 6.2552 6.2552 6.3842 6.3842 6.7479 6.7479 7.3302 7.3302 7.8278 7.8278 7.8533 7.8533 7.8950 7.8950 8.2165 8.2165 8.4944 8.4944 8.5026 8.5026 9.1947 9.1947 9.7060 9.7060 10.2147 10.2147 k = 0.0300 0.1188 0.0000 ( 8981 PWs) bands (ev): -4.1958 -4.1958 -3.3421 -3.3421 -3.3337 -3.3337 -2.8867 -2.8867 2.6578 2.6578 3.2068 3.2068 3.3967 3.3967 3.7160 3.7160 5.4393 5.4393 5.6399 5.6399 5.8143 5.8143 5.8514 5.8514 6.2104 6.2104 6.2165 6.2165 6.3752 6.3752 6.7454 6.7454 7.2537 7.2537 7.8447 7.8447 7.8716 7.8716 7.9035 7.9035 8.2373 8.2373 8.4993 8.4993 8.5072 8.5072 9.1590 9.1590 9.6902 9.6902 10.2851 10.2851 k = 0.0360 0.1426 0.0000 ( 8981 PWs) bands (ev): -4.1831 -4.1831 -3.3352 -3.3352 -3.3270 -3.3270 -2.8862 -2.8862 2.6753 2.6753 3.2178 3.2178 3.4110 3.4110 3.7312 3.7312 5.4167 5.4167 5.6167 5.6167 5.7980 5.7980 5.8283 5.8283 6.1694 6.1694 6.1711 6.1711 6.3617 6.3617 6.7374 6.7374 7.1750 7.1750 7.8641 7.8641 7.8910 7.8910 7.9136 7.9136 8.2563 8.2563 8.5065 8.5065 8.5142 8.5142 9.1166 9.1166 9.6763 9.6763 10.3604 10.3604 k = 0.0420 0.1663 0.0000 ( 8985 PWs) bands (ev): -4.1683 -4.1683 -3.3272 -3.3272 -3.3191 -3.3191 -2.8855 -2.8855 2.6959 2.6959 3.2307 3.2307 3.4277 3.4277 3.7490 3.7490 5.3906 5.3906 5.5888 5.5888 5.7742 5.7742 5.8014 5.8014 6.1194 6.1194 6.1304 6.1304 6.3442 6.3442 6.7176 6.7176 7.1034 7.1034 7.8842 7.8842 7.9102 7.9102 7.9253 7.9253 8.2728 8.2728 8.5167 8.5167 8.5245 8.5245 9.0683 9.0683 9.6642 9.6642 10.4331 10.4331 k = 0.0480 0.1901 0.0000 ( 8993 PWs) bands (ev): -4.1512 -4.1512 -3.3180 -3.3180 -3.3101 -3.3101 -2.8849 -2.8849 2.7195 2.7195 3.2454 3.2454 3.4469 3.4469 3.7694 3.7694 5.3614 5.3614 5.5562 5.5562 5.7410 5.7410 5.7707 5.7707 6.0633 6.0633 6.0954 6.0954 6.3231 6.3231 6.6772 6.6772 7.0501 7.0501 7.9037 7.9037 7.9278 7.9278 7.9385 7.9385 8.2864 8.2864 8.5307 8.5307 8.5387 8.5387 9.0149 9.0149 9.6540 9.6540 10.4155 10.4155 k = 0.0540 0.2139 0.0000 ( 8989 PWs) bands (ev): -4.1319 -4.1319 -3.3077 -3.3077 -3.2999 -3.2999 -2.8842 -2.8842 2.7461 2.7461 3.2616 3.2616 3.4684 3.4684 3.7923 3.7923 5.3294 5.3294 5.5185 5.5185 5.6969 5.6969 5.7364 5.7364 6.0032 6.0032 6.0666 6.0666 6.2987 6.2987 6.6115 6.6115 7.0222 7.0222 7.9210 7.9210 7.9428 7.9428 7.9532 7.9532 8.2971 8.2971 8.5489 8.5489 8.5574 8.5574 8.9573 8.9573 9.6459 9.6459 10.3614 10.3614 k = 0.0600 0.2376 0.0000 ( 8997 PWs) bands (ev): -4.1106 -4.1106 -3.2963 -3.2963 -3.2887 -3.2887 -2.8835 -2.8835 2.7755 2.7755 3.2794 3.2794 3.4922 3.4922 3.8177 3.8177 5.2950 5.2950 5.4756 5.4756 5.6420 5.6420 5.6984 5.6984 5.9402 5.9402 6.0445 6.0445 6.2714 6.2714 6.5246 6.5246 7.0170 7.0170 7.9354 7.9354 7.9543 7.9543 7.9692 7.9692 8.3046 8.3046 8.5720 8.5720 8.5810 8.5810 8.8965 8.8965 9.6401 9.6401 10.3040 10.3041 k = 0.0660 0.2614 0.0000 ( 8989 PWs) bands (ev): -4.0871 -4.0871 -3.2839 -3.2839 -3.2766 -3.2766 -2.8828 -2.8828 2.8077 2.8077 3.2986 3.2986 3.5182 3.5182 3.8454 3.8454 5.2585 5.2585 5.4274 5.4274 5.5774 5.5774 5.6569 5.6569 5.8751 5.8751 6.0285 6.0285 6.2417 6.2417 6.4254 6.4254 7.0278 7.0278 7.9461 7.9461 7.9620 7.9620 7.9863 7.9863 8.3090 8.3090 8.6002 8.6002 8.6091 8.6091 8.8339 8.8339 9.6370 9.6370 10.2450 10.2450 k = 0.0720 0.2852 0.0000 ( 8977 PWs) bands (ev): -4.0616 -4.0616 -3.2706 -3.2706 -3.2634 -3.2634 -2.8822 -2.8822 2.8427 2.8427 3.3189 3.3189 3.5463 3.5463 3.8754 3.8754 5.2202 5.2202 5.3737 5.3737 5.5052 5.5052 5.6114 5.6114 5.8086 5.8086 6.0170 6.0170 6.2098 6.2098 6.3208 6.3208 7.0492 7.0492 7.9529 7.9529 7.9658 7.9658 8.0045 8.0045 8.3101 8.3101 8.6336 8.6336 8.6393 8.6393 8.7723 8.7723 9.6370 9.6370 10.1851 10.1851 k = 0.0780 0.3089 0.0000 ( 8977 PWs) bands (ev): -4.0341 -4.0341 -3.2563 -3.2563 -3.2494 -3.2494 -2.8816 -2.8816 2.8802 2.8802 3.3402 3.3402 3.5763 3.5763 3.9074 3.9074 5.1805 5.1805 5.3147 5.3147 5.4272 5.4272 5.5615 5.5615 5.7414 5.7414 6.0087 6.0087 6.1762 6.1762 6.2158 6.2158 7.0781 7.0781 7.9559 7.9559 7.9658 7.9658 8.0236 8.0236 8.3079 8.3079 8.6548 8.6548 8.6719 8.6719 8.7290 8.7290 9.6407 9.6407 10.1250 10.1250 k = 0.0840 0.3327 0.0000 ( 8973 PWs) bands (ev): -4.0047 -4.0047 -3.2412 -3.2412 -3.2346 -3.2346 -2.8812 -2.8812 2.9202 2.9202 3.3623 3.3623 3.6081 3.6081 3.9412 3.9412 5.1397 5.1397 5.2505 5.2505 5.3450 5.3450 5.5062 5.5062 5.6745 5.6745 6.0023 6.0023 6.1140 6.1140 6.1412 6.1412 7.1125 7.1125 7.9552 7.9552 7.9625 7.9625 8.0437 8.0437 8.3023 8.3023 8.6136 8.6136 8.7143 8.7143 8.7461 8.7461 9.6484 9.6484 10.0653 10.0653 k = 0.0899 0.3564 0.0000 ( 8956 PWs) bands (ev): -3.9735 -3.9735 -3.2253 -3.2253 -3.2190 -3.2190 -2.8808 -2.8808 2.9626 2.9626 3.3848 3.3848 3.6416 3.6416 3.9768 3.9768 5.0980 5.0980 5.1816 5.1816 5.2600 5.2600 5.4443 5.4443 5.6089 5.6089 5.9971 5.9971 6.0180 6.0180 6.1053 6.1053 7.1513 7.1513 7.9513 7.9513 7.9562 7.9562 8.0645 8.0645 8.2934 8.2934 8.5508 8.5508 8.7603 8.7603 8.7886 8.7886 9.6606 9.6606 10.0070 10.0070 k = 0.0959 0.3802 0.0000 ( 8964 PWs) bands (ev): -3.9406 -3.9406 -3.2087 -3.2087 -3.2027 -3.2027 -2.8807 -2.8807 3.0071 3.0071 3.4074 3.4074 3.6764 3.6764 4.0137 4.0137 5.0553 5.0553 5.1087 5.1087 5.1738 5.1738 5.3745 5.3745 5.5459 5.5459 5.9297 5.9297 5.9922 5.9922 6.0688 6.0688 7.1939 7.1939 7.9444 7.9444 7.9478 7.9478 8.0861 8.0861 8.2815 8.2815 8.4853 8.4853 8.8090 8.8090 8.8372 8.8372 9.6771 9.6771 9.9512 9.9512 k = 0.1019 0.4040 0.0000 ( 8964 PWs) bands (ev): -3.9059 -3.9059 -3.1915 -3.1915 -3.1857 -3.1857 -2.8807 -2.8807 3.0537 3.0537 3.4296 3.4296 3.7124 3.7124 4.0515 4.0515 5.0105 5.0105 5.0326 5.0326 5.0886 5.0886 5.2967 5.2967 5.4864 5.4864 5.8499 5.8499 5.9865 5.9865 6.0327 6.0327 7.2396 7.2396 7.9344 7.9344 7.9379 7.9379 8.1083 8.1083 8.2669 8.2669 8.4202 8.4202 8.8591 8.8591 8.8886 8.8886 9.6972 9.6972 9.8998 9.8998 k = 0.1079 0.4277 0.0000 ( 8964 PWs) bands (ev): -3.8697 -3.8697 -3.1737 -3.1737 -3.1683 -3.1683 -2.8810 -2.8810 3.1020 3.1020 3.4511 3.4511 3.7492 3.7492 4.0895 4.0895 4.9544 4.9544 4.9582 4.9582 5.0112 5.0112 5.2126 5.2126 5.4302 5.4302 5.7787 5.7787 5.9762 5.9762 6.0006 6.0006 7.2881 7.2881 7.9219 7.9219 7.9268 7.9268 8.1309 8.1309 8.2499 8.2499 8.3566 8.3566 8.9095 8.9095 8.9410 8.9410 9.7182 9.7182 9.8570 9.8570 k = 0.1139 0.4515 0.0000 ( 8964 PWs) bands (ev): -3.8319 -3.8319 -3.1556 -3.1556 -3.1505 -3.1505 -2.8816 -2.8816 3.1520 3.1520 3.4711 3.4711 3.7863 3.7863 4.1270 4.1270 4.8753 4.8753 4.8874 4.8874 4.9537 4.9537 5.1246 5.1246 5.3769 5.3769 5.7153 5.7153 5.9499 5.9499 5.9841 5.9841 7.3388 7.3388 7.9077 7.9077 7.9143 7.9143 8.1532 8.1532 8.2309 8.2309 8.2960 8.2960 8.9583 8.9583 8.9928 8.9928 9.7307 9.7307 9.8338 9.8338 k = 0.1199 0.4753 0.0000 ( 8968 PWs) bands (ev): -3.7928 -3.7928 -3.1370 -3.1370 -3.1323 -3.1323 -2.8825 -2.8825 3.2033 3.2033 3.4889 3.4889 3.8231 3.8231 4.1622 4.1622 4.7973 4.7973 4.8056 4.8056 4.9101 4.9101 5.0359 5.0359 5.3260 5.3260 5.6589 5.6589 5.9152 5.9152 5.9756 5.9756 7.3914 7.3914 7.8921 7.8921 7.9004 7.9004 8.1714 8.1714 8.2105 8.2105 8.2427 8.2427 9.0034 9.0034 9.0420 9.0420 9.7226 9.7226 9.8077 9.8077 k = 0.1259 0.4990 0.0000 ( 8984 PWs) bands (ev): -3.7525 -3.7525 -3.1183 -3.1183 -3.1138 -3.1138 -2.8837 -2.8837 3.2557 3.2557 3.5037 3.5037 3.8589 3.8589 4.1925 4.1925 4.7227 4.7227 4.7234 4.7234 4.8716 4.8716 4.9492 4.9492 5.2769 5.2769 5.6084 5.6084 5.8796 5.8796 5.9674 5.9674 7.4455 7.4455 7.8754 7.8754 7.8855 7.8855 8.1584 8.1584 8.1890 8.1890 8.2239 8.2239 9.0419 9.0419 9.0858 9.0858 9.7060 9.7060 9.7741 9.7741 k = 0.1319 0.5228 0.0000 ( 8976 PWs) bands (ev): -3.7110 -3.7110 -3.0994 -3.0994 -3.0953 -3.0953 -2.8853 -2.8853 3.3088 3.3088 3.5144 3.5144 3.8925 3.8925 4.2133 4.2133 4.6427 4.6427 4.6580 4.6580 4.8365 4.8365 4.8674 4.8674 5.2296 5.2296 5.5632 5.5632 5.8446 5.8446 5.9583 5.9583 7.5007 7.5007 7.8577 7.8577 7.8695 7.8695 8.1118 8.1118 8.1669 8.1669 8.2426 8.2426 9.0708 9.0708 9.1212 9.1212 9.6966 9.6966 9.7529 9.7529 k = 0.1379 0.5465 0.0000 ( 8980 PWs) bands (ev): -3.6685 -3.6685 -3.0804 -3.0804 -3.0767 -3.0767 -2.8874 -2.8874 3.3623 3.3623 3.5200 3.5200 3.9221 3.9221 4.2171 4.2171 4.5677 4.5677 4.6088 4.6088 4.7929 4.7929 4.8047 4.8047 5.1839 5.1839 5.5227 5.5227 5.8105 5.8105 5.9481 5.9481 7.5565 7.5565 7.8393 7.8393 7.8525 7.8525 8.0620 8.0620 8.1448 8.1448 8.2684 8.2684 9.0873 9.0873 9.1446 9.1446 9.7012 9.7012 9.7473 9.7473 k = 0.1439 0.5703 0.0000 ( 8972 PWs) bands (ev): -3.6252 -3.6252 -3.0616 -3.0616 -3.0582 -3.0582 -2.8898 -2.8898 3.4156 3.4156 3.5192 3.5192 3.9454 3.9454 4.1968 4.1968 4.5006 4.5006 4.5822 4.5822 4.7286 4.7286 4.7765 4.7765 5.1399 5.1399 5.4865 5.4865 5.7777 5.7777 5.9366 5.9366 7.6123 7.6123 7.8202 7.8202 7.8348 7.8348 8.0142 8.0142 8.1232 8.1232 8.2966 8.2966 9.0904 9.0904 9.1542 9.1542 9.7220 9.7220 9.7595 9.7595 k = 0.1499 0.5941 0.0000 ( 8988 PWs) bands (ev): -3.5811 -3.5811 -3.0430 -3.0430 -3.0399 -3.0399 -2.8928 -2.8928 3.4682 3.4682 3.5109 3.5109 3.9588 3.9588 4.1525 4.1525 4.4447 4.4447 4.5752 4.5752 4.6793 4.6793 4.7525 4.7525 5.0979 5.0979 5.4546 5.4546 5.7465 5.7465 5.9237 5.9237 7.6675 7.6675 7.8004 7.8004 7.8165 7.8165 7.9691 7.9691 8.1024 8.1024 8.3263 8.3263 9.0814 9.0814 9.1501 9.1501 9.7581 9.7581 9.7891 9.7891 k = 0.1559 0.6178 0.0000 ( 8980 PWs) bands (ev): -3.5366 -3.5366 -3.0248 -3.0248 -3.0219 -3.0219 -2.8962 -2.8962 3.4942 3.4942 3.5193 3.5193 3.9587 3.9587 4.0917 4.0917 4.4040 4.4040 4.5694 4.5694 4.6568 4.6568 4.7334 4.7334 5.0579 5.0579 5.4269 5.4269 5.7169 5.7169 5.9096 5.9096 7.7209 7.7209 7.7800 7.7800 7.7980 7.7980 7.9269 7.9269 8.0832 8.0832 8.3576 8.3576 9.0631 9.0631 9.1349 9.1349 9.8069 9.8069 9.8334 9.8334 k = 0.1619 0.6416 0.0000 ( 8980 PWs) bands (ev): -3.4917 -3.4917 -3.0071 -3.0071 -3.0044 -3.0044 -2.9002 -2.9002 3.4687 3.4687 3.5678 3.5678 3.9433 3.9433 4.0225 4.0225 4.3805 4.3805 4.5508 4.5508 4.6675 4.6675 4.7201 4.7201 5.0206 5.0206 5.4037 5.4037 5.6891 5.6891 5.8943 5.8943 7.7588 7.7588 7.7635 7.7635 7.7879 7.7879 7.8878 7.8878 8.0664 8.0664 8.3904 8.3904 9.0386 9.0386 9.1120 9.1120 9.8653 9.8653 9.8889 9.8889 k = 0.1679 0.6654 0.0000 ( 8996 PWs) bands (ev): -3.4466 -3.4466 -2.9900 -2.9900 -2.9874 -2.9874 -2.9048 -2.9048 3.4346 3.4346 3.6120 3.6120 3.9146 3.9146 3.9503 3.9503 4.3729 4.3729 4.5300 4.5300 4.6943 4.6943 4.7133 4.7133 4.9865 4.9865 5.3853 5.3853 5.6633 5.6633 5.8781 5.8781 7.7377 7.7377 7.7528 7.7528 7.8259 7.8259 7.8517 7.8517 8.0532 8.0532 8.4247 8.4247 9.0106 9.0106 9.0845 9.0845 9.9305 9.9305 9.9524 9.9524 k = 0.1739 0.6891 0.0000 ( 8984 PWs) bands (ev): -3.4016 -3.4016 -2.9736 -2.9736 -2.9712 -2.9712 -2.9100 -2.9100 3.3929 3.3929 3.6488 3.6488 3.8780 3.8780 3.8795 3.8795 4.3769 4.3769 4.5144 4.5144 4.7136 4.7136 4.7249 4.7249 4.9570 4.9570 5.3721 5.3721 5.6397 5.6397 5.8610 5.8610 7.7159 7.7159 7.7322 7.7322 7.8184 7.8184 7.8670 7.8670 8.0461 8.0461 8.4606 8.4606 8.9810 8.9810 9.0547 9.0547 10.0003 10.0003 10.0211 10.0211 k = 0.1799 0.7129 0.0000 ( 8992 PWs) bands (ev): -3.3569 -3.3569 -2.9582 -2.9582 -2.9557 -2.9557 -2.9157 -2.9157 3.3449 3.3449 3.6712 3.6712 3.8078 3.8078 3.8484 3.8484 4.3882 4.3882 4.5048 4.5048 4.7212 4.7212 4.7531 4.7531 4.9339 4.9339 5.3647 5.3647 5.6183 5.6183 5.8434 5.8434 7.6937 7.6937 7.7104 7.7104 7.7878 7.7878 7.8980 7.8980 8.0490 8.0490 8.4981 8.4981 8.9513 8.9513 9.0244 9.0244 10.0730 10.0730 10.0931 10.0931 k = 0.1859 0.7367 0.0000 ( 9000 PWs) bands (ev): -3.3126 -3.3126 -2.9438 -2.9438 -2.9414 -2.9414 -2.9219 -2.9219 3.2925 3.2925 3.6686 3.6686 3.7402 3.7402 3.8351 3.8351 4.4038 4.4038 4.5000 4.5000 4.7359 4.7359 4.7739 4.7739 4.9204 4.9204 5.3637 5.3637 5.5992 5.5992 5.8256 5.8256 7.6712 7.6712 7.6878 7.6878 7.7598 7.7598 7.9146 7.9146 8.0652 8.0652 8.5372 8.5372 8.9226 8.9226 8.9947 8.9947 10.1473 10.1473 10.1665 10.1665 k = 0.1919 0.7604 0.0000 ( 9000 PWs) bands (ev): -3.2691 -3.2691 -2.9322 -2.9322 -2.9295 -2.9295 -2.9257 -2.9257 3.2374 3.2374 3.6404 3.6404 3.6758 3.6758 3.8420 3.8420 4.4226 4.4226 4.4982 4.4982 4.7568 4.7568 4.7842 4.7842 4.9189 4.9189 5.3695 5.3695 5.5824 5.5824 5.8078 5.8078 7.6484 7.6484 7.6646 7.6646 7.7342 7.7342 7.9189 7.9189 8.0924 8.0924 8.5780 8.5780 8.8955 8.8955 8.9665 8.9665 10.2220 10.2220 10.2300 10.2300 k = 0.1979 0.7842 0.0000 ( 9000 PWs) bands (ev): -3.2265 -3.2265 -2.9375 -2.9375 -2.9182 -2.9182 -2.9151 -2.9151 3.1813 3.1813 3.5990 3.5990 3.6151 3.6151 3.8579 3.8579 4.4442 4.4442 4.4971 4.4971 4.7826 4.7826 4.7860 4.7860 4.9275 4.9275 5.3826 5.3826 5.5680 5.5680 5.7906 5.7906 7.6255 7.6255 7.6409 7.6409 7.7108 7.7108 7.9163 7.9163 8.1246 8.1246 8.6203 8.6203 8.8705 8.8705 8.9405 8.9405 10.1890 10.1890 10.2961 10.2961 k = 0.2039 0.8079 0.0000 ( 8992 PWs) bands (ev): -3.1851 -3.1851 -2.9457 -2.9457 -2.9076 -2.9076 -2.9043 -2.9043 3.1259 3.1259 3.5537 3.5537 3.5583 3.5583 3.8743 3.8743 4.4685 4.4685 4.4948 4.4948 4.7851 4.7851 4.8119 4.8119 4.9407 4.9407 5.4025 5.4025 5.5558 5.5558 5.7742 5.7742 7.6025 7.6025 7.6169 7.6169 7.6894 7.6894 7.9108 7.9108 8.1572 8.1572 8.6640 8.6640 8.8481 8.8481 8.9170 8.9170 10.1367 10.1367 10.3686 10.3687 k = 0.2099 0.8317 0.0000 ( 8988 PWs) bands (ev): -3.1451 -3.1451 -2.9547 -2.9547 -2.8984 -2.8984 -2.8949 -2.8949 3.0724 3.0724 3.5053 3.5053 3.5086 3.5086 3.8881 3.8881 4.4897 4.4897 4.4956 4.4956 4.7866 4.7866 4.8435 4.8435 4.9547 4.9547 5.4287 5.4287 5.5459 5.5459 5.7591 5.7591 7.5796 7.5796 7.5928 7.5928 7.6700 7.6700 7.9042 7.9042 8.1880 8.1880 8.7089 8.7089 8.8286 8.8286 8.8966 8.8966 10.0848 10.0848 10.4387 10.4388 k = 0.2159 0.8555 0.0000 ( 8984 PWs) bands (ev): -3.1068 -3.1068 -2.9645 -2.9645 -2.8907 -2.8907 -2.8870 -2.8870 3.0219 3.0219 3.4567 3.4567 3.4656 3.4656 3.8985 3.8985 4.4810 4.4810 4.5250 4.5250 4.7925 4.7925 4.8761 4.8761 4.9678 4.9678 5.4600 5.4600 5.5378 5.5378 5.7457 5.7457 7.5571 7.5571 7.5688 7.5688 7.6524 7.6524 7.8976 7.8976 8.2156 8.2156 8.7544 8.7544 8.8121 8.8121 8.8797 8.8797 10.0340 10.0340 10.5055 10.5055 k = 0.2219 0.8792 0.0000 ( 8988 PWs) bands (ev): -3.0705 -3.0705 -2.9748 -2.9748 -2.8847 -2.8847 -2.8808 -2.8808 2.9754 2.9754 3.4123 3.4123 3.4256 3.4256 3.9056 3.9056 4.4687 4.4687 4.5561 4.5561 4.8034 4.8034 4.9090 4.9090 4.9801 4.9801 5.4950 5.4950 5.5313 5.5313 5.7345 5.7345 7.5350 7.5350 7.5451 7.5451 7.6366 7.6366 7.8912 7.8912 8.2394 8.2394 8.7984 8.7984 8.7992 8.7992 8.8679 8.8679 9.9851 9.9851 10.5681 10.5681 k = 0.2279 0.9030 0.0000 ( 8980 PWs) bands (ev): -3.0363 -3.0363 -2.9859 -2.9859 -2.8805 -2.8805 -2.8762 -2.8762 2.9336 2.9336 3.3723 3.3723 3.3892 3.3892 3.9097 3.9097 4.4534 4.4534 4.5881 4.5881 4.8186 4.8186 4.9413 4.9413 4.9918 4.9918 5.5256 5.5256 5.5327 5.5327 5.7259 5.7259 7.5137 7.5137 7.5220 7.5220 7.6226 7.6226 7.8851 7.8851 8.2590 8.2590 8.7886 8.7886 8.8318 8.8318 8.8714 8.8714 9.9387 9.9387 10.6257 10.6258 k = 0.2339 0.9268 0.0000 ( 8976 PWs) bands (ev): -3.0048 -3.0048 -2.9974 -2.9974 -2.8780 -2.8780 -2.8735 -2.8735 2.8972 2.8972 3.3368 3.3368 3.3570 3.3570 3.9114 3.9114 4.4359 4.4359 4.6202 4.6202 4.8371 4.8371 4.9727 4.9727 5.0035 5.0035 5.5214 5.5214 5.5708 5.5708 5.7200 5.7200 7.4935 7.4935 7.4999 7.4999 7.6104 7.6104 7.8793 7.8793 8.2741 8.2741 8.7817 8.7817 8.8359 8.8359 8.9069 8.9069 9.8955 9.8955 10.6776 10.6780 k = 0.2399 0.9505 0.0000 ( 8956 PWs) bands (ev): -3.0100 -3.0100 -2.9753 -2.9753 -2.8774 -2.8774 -2.8727 -2.8727 2.8667 2.8667 3.3059 3.3059 3.3290 3.3290 3.9114 3.9114 4.4168 4.4168 4.6517 4.6517 4.8579 4.8579 5.0027 5.0027 5.0160 5.0160 5.5173 5.5173 5.6089 5.6089 5.7170 5.7170 7.4745 7.4745 7.4792 7.4792 7.6000 7.6000 7.8736 7.8736 8.2847 8.2847 8.7781 8.7781 8.8337 8.8337 8.9512 8.9512 9.8564 9.8564 10.7231 10.7242 k = 0.2459 0.9743 0.0000 ( 8948 PWs) bands (ev): -3.0229 -3.0229 -2.9490 -2.9490 -2.8786 -2.8786 -2.8737 -2.8737 2.8425 2.8425 3.2796 3.2796 3.3056 3.3056 3.9100 3.9100 4.3969 4.3969 4.6819 4.6819 4.8802 4.8802 5.0297 5.0297 5.0314 5.0314 5.5131 5.5131 5.6457 5.6457 5.7168 5.7168 7.4572 7.4572 7.4604 7.4604 7.5917 7.5917 7.8679 7.8679 8.2908 8.2908 8.7778 8.7778 8.8332 8.8332 8.9950 8.9950 9.8226 9.8226 10.7618 10.7628 k = 0.2519 0.9980 0.0000 ( 8972 PWs) bands (ev): -3.0364 -3.0364 -2.9257 -2.9257 -2.8817 -2.8817 -2.8766 -2.8766 2.8250 2.8250 3.2580 3.2580 3.2867 3.2867 3.9076 3.9076 4.3766 4.3766 4.7103 4.7103 4.9033 4.9033 5.0451 5.0451 5.0585 5.0585 5.5086 5.5086 5.6803 5.6803 5.7189 5.7189 7.4416 7.4416 7.4441 7.4441 7.5855 7.5855 7.8619 7.8619 8.2927 8.2927 8.7808 8.7808 8.8355 8.8355 9.0358 9.0358 9.7953 9.7953 10.7932 10.7936 k = 0.2579 1.0218 0.0000 ( 8980 PWs) bands (ev): -3.0505 -3.0505 -2.9057 -2.9057 -2.8865 -2.8865 -2.8815 -2.8815 2.8144 2.8144 3.2411 3.2411 3.2725 3.2725 3.9046 3.9046 4.3561 4.3561 4.7365 4.7365 4.9266 4.9266 5.0624 5.0624 5.0841 5.0841 5.5037 5.5037 5.7116 5.7116 5.7229 5.7229 7.4282 7.4282 7.4308 7.4308 7.5817 7.5817 7.8555 7.8555 8.2906 8.2906 8.7868 8.7868 8.8410 8.8410 9.0714 9.0714 9.7764 9.7764 10.8169 10.8171 k = 0.2639 1.0456 0.0000 ( 8972 PWs) bands (ev): -3.0651 -3.0651 -2.8948 -2.8948 -2.8885 -2.8885 -2.8871 -2.8871 2.8110 2.8110 3.2288 3.2288 3.2629 3.2629 3.9011 3.9011 4.3358 4.3358 4.7603 4.7603 4.9499 4.9499 5.0817 5.0817 5.1082 5.1082 5.4984 5.4984 5.7275 5.7275 5.7395 5.7395 7.4175 7.4175 7.4207 7.4207 7.5806 7.5806 7.8483 7.8483 8.2847 8.2847 8.7961 8.7961 8.8495 8.8495 9.0999 9.0999 9.7675 9.7675 10.8331 10.8338 k = 0.2698 1.0693 0.0000 ( 8988 PWs) bands (ev): -3.0801 -3.0801 -2.9028 -2.9028 -2.8969 -2.8969 -2.8744 -2.8744 2.8148 2.8148 3.2212 3.2212 3.2579 3.2579 3.8974 3.8974 4.3159 4.3159 4.7816 4.7816 4.9731 4.9731 5.1030 5.1030 5.1311 5.1311 5.4927 5.4927 5.7326 5.7326 5.7624 5.7624 7.4103 7.4103 7.4139 7.4139 7.5823 7.5823 7.8403 7.8403 8.2755 8.2755 8.8083 8.8083 8.8611 8.8611 9.1192 9.1192 9.7703 9.7703 10.8411 10.8423 k = 0.2758 1.0931 0.0000 ( 8996 PWs) bands (ev): -3.0957 -3.0957 -2.9134 -2.9134 -2.9074 -2.9074 -2.8641 -2.8641 2.8259 2.8259 3.2181 3.2181 3.2574 3.2574 3.8934 3.8934 4.2964 4.2964 4.8003 4.8003 4.9961 4.9961 5.1263 5.1263 5.1526 5.1526 5.4866 5.4866 5.7373 5.7373 5.7804 5.7804 7.4069 7.4069 7.4105 7.4105 7.5871 7.5871 7.8310 7.8310 8.2635 8.2635 8.8234 8.8234 8.8757 8.8757 9.1282 9.1282 9.7857 9.7857 10.8402 10.8405 k = 0.2818 1.1169 0.0000 ( 8972 PWs) bands (ev): -3.1116 -3.1116 -2.9257 -2.9257 -2.9196 -2.9196 -2.8571 -2.8571 2.8443 2.8443 3.2194 3.2194 3.2614 3.2614 3.8892 3.8892 4.2774 4.2774 4.8165 4.8165 5.0191 5.0191 5.1512 5.1512 5.1728 5.1728 5.4802 5.4802 5.7408 5.7408 5.7930 5.7930 7.4078 7.4078 7.4108 7.4108 7.5953 7.5953 7.8203 7.8203 8.2491 8.2491 8.8414 8.8414 8.8933 8.8933 9.1269 9.1269 9.8132 9.8132 10.8262 10.8264 k = 0.2818 1.1169 0.0000 ( 8972 PWs) bands (ev): -3.1116 -3.1116 -2.9257 -2.9257 -2.9196 -2.9196 -2.8571 -2.8571 2.8443 2.8443 3.2194 3.2194 3.2614 3.2614 3.8892 3.8892 4.2774 4.2774 4.8165 4.8165 5.0191 5.0191 5.1512 5.1512 5.1728 5.1728 5.4802 5.4802 5.7408 5.7408 5.7930 5.7930 7.4078 7.4078 7.4108 7.4108 7.5953 7.5953 7.8203 7.8203 8.2491 8.2491 8.8414 8.8414 8.8933 8.8933 9.1269 9.1269 9.8132 9.8132 10.8261 10.8262 k = 0.2804 1.1111 0.0234 ( 8980 PWs) bands (ev): -3.1075 -3.1075 -2.9227 -2.9227 -2.9167 -2.9167 -2.8584 -2.8584 2.8397 2.8397 3.2191 3.2191 3.2602 3.2602 3.8909 3.8909 4.2820 4.2820 4.8127 4.8127 5.0128 5.0128 5.1431 5.1431 5.1690 5.1690 5.4809 5.4809 5.7389 5.7389 5.7905 5.7905 7.4066 7.4066 7.4106 7.4106 7.5942 7.5942 7.8266 7.8266 8.2529 8.2529 8.8281 8.8281 8.8794 8.8794 9.1447 9.1447 9.8079 9.8079 10.8240 10.8244 k = 0.2789 1.1054 0.0469 ( 8972 PWs) bands (ev): -3.1030 -3.1030 -2.9203 -2.9203 -2.9141 -2.9141 -2.8597 -2.8597 2.8365 2.8365 3.2197 3.2197 3.2599 3.2599 3.8939 3.8939 4.2867 4.2867 4.8084 4.8084 5.0050 5.0050 5.1326 5.1326 5.1662 5.1662 5.4799 5.4799 5.7347 5.7347 5.7877 5.7877 7.4023 7.4023 7.4133 7.4133 7.5956 7.5956 7.8394 7.8394 8.2570 8.2570 8.7954 8.7954 8.8580 8.8580 9.1864 9.1864 9.8081 9.8081 10.8085 10.8086 k = 0.2775 1.0997 0.0703 ( 8967 PWs) bands (ev): -3.0982 -3.0982 -2.9184 -2.9184 -2.9118 -2.9118 -2.8611 -2.8611 2.8345 2.8345 3.2212 3.2212 3.2603 3.2603 3.8982 3.8982 4.2913 4.2913 4.8034 4.8034 4.9961 4.9961 5.1211 5.1211 5.1632 5.1632 5.4773 5.4773 5.7281 5.7281 5.7848 5.7848 7.3960 7.3960 7.4188 7.4188 7.5991 7.5991 7.8580 7.8580 8.2613 8.2613 8.7472 8.7472 8.8374 8.8374 9.2402 9.2402 9.8133 9.8133 10.7855 10.7855 k = 0.2761 1.0939 0.0938 ( 8964 PWs) bands (ev): -3.0929 -3.0929 -2.9172 -2.9172 -2.9098 -2.9098 -2.8626 -2.8626 2.8334 2.8334 3.2232 3.2232 3.2616 3.2616 3.9036 3.9036 4.2960 4.2960 4.7977 4.7977 4.9864 4.9864 5.1094 5.1094 5.1598 5.1598 5.4732 5.4732 5.7196 5.7196 5.7813 5.7813 7.3889 7.3889 7.4268 7.4268 7.6044 7.6044 7.8811 7.8811 8.2661 8.2661 8.6917 8.6917 8.8161 8.8161 9.2997 9.2997 9.8230 9.8230 10.7583 10.7583 k = 0.2746 1.0882 0.1172 ( 8966 PWs) bands (ev): -3.0873 -3.0873 -2.9165 -2.9165 -2.9078 -2.9078 -2.8642 -2.8642 2.8329 2.8329 3.2257 3.2257 3.2639 3.2639 3.9102 3.9102 4.3003 4.3003 4.7913 4.7913 4.9760 4.9760 5.0980 5.0980 5.1561 5.1561 5.4678 5.4678 5.7099 5.7099 5.7769 5.7769 7.3822 7.3822 7.4370 7.4370 7.6109 7.6109 7.9074 7.9074 8.2715 8.2715 8.6334 8.6334 8.7933 8.7933 9.3620 9.3620 9.8362 9.8362 10.7289 10.7289 k = 0.2732 1.0824 0.1406 ( 8962 PWs) bands (ev): -3.0814 -3.0814 -2.9164 -2.9164 -2.9060 -2.9060 -2.8659 -2.8659 2.8329 2.8329 3.2285 3.2285 3.2674 3.2674 3.9177 3.9177 4.3043 4.3043 4.7842 4.7842 4.9648 4.9648 5.0872 5.0872 5.1524 5.1524 5.4615 5.4615 5.6994 5.6994 5.7713 5.7713 7.3768 7.3768 7.4494 7.4494 7.6186 7.6186 7.9353 7.9353 8.2777 8.2777 8.5745 8.5745 8.7692 8.7692 9.4256 9.4256 9.8519 9.8519 10.6987 10.6987 k = 0.2717 1.0767 0.1641 ( 8963 PWs) bands (ev): -3.0751 -3.0751 -2.9169 -2.9169 -2.9043 -2.9043 -2.8678 -2.8678 2.8329 2.8329 3.2316 3.2316 3.2719 3.2719 3.9260 3.9260 4.3078 4.3078 4.7764 4.7764 4.9530 4.9530 5.0771 5.0771 5.1490 5.1490 5.4545 5.4545 5.6887 5.6887 5.7645 5.7645 7.3734 7.3734 7.4637 7.4637 7.6270 7.6270 7.9634 7.9634 8.2850 8.2850 8.5163 8.5163 8.7442 8.7442 9.4892 9.4892 9.8689 9.8689 10.6688 10.6688 k = 0.2703 1.0710 0.1875 ( 8973 PWs) bands (ev): -3.0685 -3.0685 -2.9178 -2.9178 -2.9026 -2.9026 -2.8699 -2.8699 2.8328 2.8328 3.2351 3.2351 3.2773 3.2773 3.9349 3.9349 4.3106 4.3106 4.7682 4.7682 4.9404 4.9404 5.0680 5.0680 5.1461 5.1461 5.4474 5.4474 5.6781 5.6781 5.7562 5.7562 7.3723 7.3723 7.4798 7.4798 7.6360 7.6360 7.9901 7.9901 8.2937 8.2937 8.4596 8.4596 8.7189 8.7189 9.5523 9.5523 9.8859 9.8859 10.6404 10.6404 k = 0.2688 1.0652 0.2110 ( 8979 PWs) bands (ev): -3.0618 -3.0618 -2.9190 -2.9190 -2.9011 -2.9011 -2.8721 -2.8721 2.8324 2.8324 3.2392 3.2392 3.2834 3.2834 3.9441 3.9441 4.3125 4.3125 4.7596 4.7596 4.9271 4.9271 5.0597 5.0597 5.1440 5.1440 5.4406 5.4406 5.6678 5.6678 5.7467 5.7467 7.3739 7.3739 7.4975 7.4975 7.6452 7.6452 8.0137 8.0137 8.3042 8.3042 8.4054 8.4054 8.6939 8.6939 9.6140 9.6140 9.9018 9.9018 10.6145 10.6145 k = 0.2674 1.0595 0.2344 ( 8985 PWs) bands (ev): -3.0548 -3.0548 -2.9206 -2.9206 -2.8998 -2.8998 -2.8744 -2.8744 2.8314 2.8314 3.2440 3.2440 3.2898 3.2898 3.9533 3.9533 4.3137 4.3137 4.7511 4.7511 4.9132 4.9132 5.0524 5.0524 5.1430 5.1430 5.4344 5.4344 5.6580 5.6580 5.7360 5.7360 7.3782 7.3782 7.5167 7.5167 7.6546 7.6546 8.0320 8.0320 8.3163 8.3163 8.3554 8.3554 8.6697 8.6697 9.6739 9.6739 9.9154 9.9154 10.5921 10.5921 k = 0.2659 1.0538 0.2578 ( 8997 PWs) bands (ev): -3.0478 -3.0478 -2.9223 -2.9223 -2.8986 -2.8986 -2.8769 -2.8769 2.8297 2.8297 3.2497 3.2497 3.2964 3.2964 3.9622 3.9622 4.3140 4.3140 4.7430 4.7430 4.8985 4.8985 5.0458 5.0458 5.1433 5.1433 5.4294 5.4294 5.6487 5.6487 5.7243 5.7243 7.3853 7.3853 7.5369 7.5369 7.6639 7.6639 8.0430 8.0430 8.3066 8.3066 8.3349 8.3349 8.6468 8.6468 9.7310 9.7310 9.9259 9.9259 10.5738 10.5738 k = 0.2645 1.0480 0.2813 ( 8986 PWs) bands (ev): -3.0407 -3.0407 -2.9241 -2.9241 -2.8976 -2.8976 -2.8794 -2.8794 2.8273 2.8273 3.2562 3.2562 3.3029 3.3029 3.9703 3.9703 4.3139 4.3139 4.7355 4.7355 4.8833 4.8833 5.0400 5.0400 5.1448 5.1448 5.4258 5.4258 5.6400 5.6400 5.7120 5.7120 7.3951 7.3951 7.5580 7.5580 7.6730 7.6730 8.0439 8.0439 8.2697 8.2697 8.3515 8.3515 8.6253 8.6253 9.7847 9.7847 9.9330 9.9330 10.5603 10.5603 k = 0.2630 1.0423 0.3047 ( 8988 PWs) bands (ev): -3.0338 -3.0338 -2.9259 -2.9259 -2.8968 -2.8968 -2.8820 -2.8820 2.8242 2.8242 3.2634 3.2634 3.3091 3.3091 3.9773 3.9773 4.3135 4.3135 4.7289 4.7289 4.8676 4.8676 5.0348 5.0348 5.1476 5.1476 5.4239 5.4239 5.6317 5.6317 5.6993 5.6993 7.4072 7.4072 7.5795 7.5795 7.6819 7.6819 8.0331 8.0331 8.2409 8.2409 8.3712 8.3712 8.6057 8.6057 9.8331 9.8331 9.9377 9.9377 10.5518 10.5518 k = 0.2616 1.0366 0.3282 ( 8992 PWs) bands (ev): -3.0270 -3.0270 -2.9275 -2.9275 -2.8964 -2.8964 -2.8846 -2.8846 2.8206 2.8206 3.2710 3.2710 3.3149 3.3149 3.9828 3.9828 4.3134 4.3134 4.7234 4.7234 4.8517 4.8517 5.0303 5.0303 5.1515 5.1515 5.4237 5.4237 5.6236 5.6236 5.6867 5.6867 7.4214 7.4214 7.6010 7.6010 7.6907 7.6907 8.0109 8.0109 8.2213 8.2213 8.3922 8.3922 8.5880 8.5880 9.8723 9.8723 9.9435 9.9435 10.5483 10.5483 k = 0.2601 1.0308 0.3516 ( 8986 PWs) bands (ev): -3.0207 -3.0207 -2.9288 -2.9288 -2.8965 -2.8965 -2.8869 -2.8869 2.8166 2.8166 3.2787 3.2787 3.3202 3.3202 3.9864 3.9864 4.3140 4.3140 4.7189 4.7189 4.8358 4.8358 5.0264 5.0264 5.1564 5.1564 5.4253 5.4253 5.6156 5.6156 5.6747 5.6747 7.4374 7.4374 7.6219 7.6219 7.6993 7.6993 7.9803 7.9803 8.2088 8.2088 8.4136 8.4136 8.5724 8.5724 9.8940 9.8940 9.9590 9.9590 10.5495 10.5495 k = 0.2587 1.0251 0.3750 ( 8999 PWs) bands (ev): -3.0149 -3.0149 -2.9295 -2.9295 -2.8973 -2.8973 -2.8887 -2.8887 2.8124 2.8124 3.2861 3.2861 3.3251 3.3251 3.9882 3.9882 4.3155 4.3155 4.7154 4.7154 4.8204 4.8204 5.0231 5.0231 5.1619 5.1619 5.4285 5.4285 5.6075 5.6075 5.6637 5.6637 7.4546 7.4546 7.6416 7.6416 7.7082 7.7082 7.9450 7.9450 8.2004 8.2004 8.4342 8.4342 8.5591 8.5591 9.8974 9.8974 9.9850 9.9850 10.5554 10.5554 k = 0.2572 1.0194 0.3985 ( 8995 PWs) bands (ev): -3.0099 -3.0099 -2.9296 -2.9296 -2.8990 -2.8990 -2.8898 -2.8898 2.8083 2.8083 3.2927 3.2927 3.3295 3.3295 3.9882 3.9882 4.3180 4.3180 4.7129 4.7129 4.8059 4.8059 5.0205 5.0205 5.1677 5.1677 5.4331 5.4331 5.5993 5.5993 5.6541 5.6541 7.4723 7.4723 7.6597 7.6597 7.7175 7.7175 7.9080 7.9080 8.1942 8.1942 8.4532 8.4532 8.5479 8.5479 9.8930 9.8930 10.0116 10.0116 10.5657 10.5657 k = 0.2558 1.0136 0.4219 ( 8984 PWs) bands (ev): -3.0059 -3.0059 -2.9289 -2.9289 -2.9016 -2.9016 -2.8904 -2.8904 2.8044 2.8044 3.2982 3.2982 3.3335 3.3335 3.9868 3.9868 4.3212 4.3212 4.7113 4.7113 4.7928 4.7928 5.0186 5.0186 5.1733 5.1733 5.4385 5.4385 5.5914 5.5914 5.6460 5.6460 7.4897 7.4897 7.6758 7.6758 7.7272 7.7272 7.8714 7.8714 8.1893 8.1893 8.4698 8.4698 8.5389 8.5389 9.8865 9.8865 10.0338 10.0338 10.5798 10.5798 k = 0.2543 1.0079 0.4454 ( 8990 PWs) bands (ev): -3.0028 -3.0028 -2.9271 -2.9271 -2.9048 -2.9048 -2.8907 -2.8907 2.8011 2.8011 3.3024 3.3024 3.3369 3.3369 3.9847 3.9847 4.3246 4.3246 4.7105 4.7105 4.7817 4.7817 5.0172 5.0172 5.1784 5.1784 5.4440 5.4440 5.5847 5.5847 5.6391 5.6391 7.5058 7.5058 7.6902 7.6902 7.7371 7.7371 7.8364 7.8364 8.1852 8.1852 8.4834 8.4834 8.5319 8.5319 9.8803 9.8803 10.0504 10.0504 10.5963 10.5963 k = 0.2529 1.0022 0.4688 ( 8991 PWs) bands (ev): -3.0008 -3.0008 -2.9245 -2.9245 -2.9083 -2.9083 -2.8909 -2.8909 2.7984 2.7984 3.3052 3.3052 3.3397 3.3397 3.9826 3.9826 4.3277 4.3277 4.7104 4.7104 4.7729 4.7729 5.0163 5.0163 5.1826 5.1826 5.4488 5.4488 5.5800 5.5800 5.6335 5.6335 7.5190 7.5190 7.7037 7.7037 7.7462 7.7462 7.8045 7.8045 8.1821 8.1821 8.4936 8.4936 8.5268 8.5268 9.8753 9.8753 10.0614 10.0614 10.6130 10.6130 k = 0.2514 0.9964 0.4922 ( 8991 PWs) bands (ev): -2.9997 -2.9997 -2.9212 -2.9212 -2.9120 -2.9120 -2.8910 -2.8910 2.7968 2.7968 3.3067 3.3067 3.3414 3.3414 3.9810 3.9810 4.3297 4.3297 4.7109 4.7109 4.7671 4.7671 5.0158 5.0158 5.1853 5.1853 5.4519 5.4519 5.5779 5.5779 5.6293 5.6293 7.5279 7.5279 7.7166 7.7166 7.7537 7.7537 7.7777 7.7777 8.1802 8.1802 8.5002 8.5002 8.5234 8.5234 9.8724 9.8724 10.0673 10.0673 10.6261 10.6261 k = 0.2500 0.9907 0.5157 ( 9000 PWs) bands (ev): -2.9994 -2.9994 -2.9187 -2.9187 -2.9145 -2.9145 -2.8910 -2.8910 2.7962 2.7962 3.3071 3.3071 3.3420 3.3420 3.9804 3.9804 4.3305 4.3305 4.7112 4.7112 4.7651 4.7651 5.0157 5.0157 5.1863 5.1863 5.4530 5.4530 5.5776 5.5776 5.6275 5.6275 7.5310 7.5310 7.7241 7.7241 7.7578 7.7578 7.7639 7.7639 8.1795 8.1795 8.5025 8.5025 8.5222 8.5222 9.8715 9.8715 10.0691 10.0691 10.6312 10.6312 k = 0.2500 0.9907 0.5157 ( 9000 PWs) bands (ev): -2.9994 -2.9994 -2.9187 -2.9187 -2.9145 -2.9145 -2.8910 -2.8910 2.7962 2.7962 3.3071 3.3071 3.3420 3.3420 3.9804 3.9804 4.3305 4.3305 4.7112 4.7112 4.7651 4.7651 5.0157 5.0157 5.1863 5.1863 5.4530 5.4530 5.5776 5.5776 5.6275 5.6275 7.5310 7.5310 7.7241 7.7241 7.7578 7.7578 7.7639 7.7639 8.1795 8.1795 8.5025 8.5025 8.5222 8.5222 9.8715 9.8715 10.0691 10.0691 10.6312 10.6312 k = 0.2333 0.9949 0.4985 ( 8992 PWs) bands (ev): -2.9996 -2.9996 -2.9187 -2.9187 -2.9144 -2.9144 -2.8909 -2.8909 2.7966 2.7966 3.3067 3.3067 3.3412 3.3412 3.9810 3.9810 4.3298 4.3298 4.7114 4.7114 4.7668 4.7668 5.0159 5.0159 5.1852 5.1852 5.4521 5.4521 5.5783 5.5783 5.6285 5.6285 7.5276 7.5276 7.7152 7.7152 7.7581 7.7581 7.7748 7.7748 8.1803 8.1803 8.5019 8.5019 8.5216 8.5216 9.8727 9.8727 10.0671 10.0671 10.6258 10.6258 k = 0.2167 0.9991 0.4813 ( 8996 PWs) bands (ev): -3.0004 -3.0004 -2.9186 -2.9186 -2.9141 -2.9141 -2.8905 -2.8905 2.7979 2.7979 3.3052 3.3052 3.3387 3.3387 3.9828 3.9828 4.3278 4.3278 4.7116 4.7116 4.7721 4.7721 5.0165 5.0165 5.1819 5.1819 5.4497 5.4497 5.5802 5.5802 5.6318 5.6318 7.5177 7.5177 7.6994 7.6994 7.7595 7.7595 7.7960 7.7960 8.1825 8.1825 8.5002 8.5002 8.5197 8.5197 9.8761 9.8761 10.0612 10.0612 10.6109 10.6109 k = 0.2000 1.0033 0.4641 ( 8998 PWs) bands (ev): -3.0016 -3.0016 -2.9185 -2.9185 -2.9137 -2.9137 -2.8898 -2.8898 2.8000 2.8000 3.3024 3.3024 3.3351 3.3351 3.9855 3.9855 4.3253 4.3253 4.7113 4.7113 4.7810 4.7810 5.0175 5.0175 5.1767 5.1767 5.4460 5.4460 5.5822 5.5822 5.6376 5.6376 7.5023 7.5023 7.6831 7.6831 7.7618 7.7618 7.8206 7.8206 8.1859 8.1859 8.4972 8.4972 8.5168 8.5168 9.8816 9.8816 10.0520 10.0520 10.5897 10.5897 k = 0.1833 1.0075 0.4469 ( 9004 PWs) bands (ev): -3.0031 -3.0031 -2.9184 -2.9184 -2.9131 -2.9131 -2.8888 -2.8888 2.8028 2.8028 3.2981 3.2981 3.3310 3.3310 3.9885 3.9885 4.3230 4.3230 4.7100 4.7100 4.7932 4.7932 5.0188 5.0188 5.1698 5.1698 5.4416 5.4416 5.5835 5.5835 5.6463 5.6463 7.4827 7.4827 7.6675 7.6675 7.7648 7.7648 7.8468 7.8468 8.1899 8.1899 8.4931 8.4931 8.5132 8.5132 9.8888 9.8888 10.0402 10.0402 10.5651 10.5651 k = 0.1667 1.0117 0.4297 ( 8990 PWs) bands (ev): -3.0049 -3.0049 -2.9184 -2.9184 -2.9124 -2.9124 -2.8876 -2.8876 2.8063 2.8063 3.2921 3.2921 3.3271 3.3271 3.9914 3.9914 4.3216 4.3216 4.7077 4.7077 4.8080 4.8080 5.0205 5.0205 5.1615 5.1615 5.4368 5.4368 5.5837 5.5837 5.6576 5.6576 7.4603 7.4603 7.6527 7.6527 7.7682 7.7682 7.8739 7.8739 8.1940 8.1940 8.4880 8.4880 8.5090 8.5090 9.8974 9.8974 10.0264 10.0264 10.5396 10.5396 k = 0.1500 1.0159 0.4125 ( 8992 PWs) bands (ev): -3.0068 -3.0068 -2.9183 -2.9183 -2.9118 -2.9118 -2.8862 -2.8862 2.8103 2.8103 3.2845 3.2845 3.3236 3.3236 3.9935 3.9935 4.3219 4.3219 4.7044 4.7044 4.8244 4.8244 5.0226 5.0226 5.1522 5.1522 5.4319 5.4319 5.5829 5.5829 5.6707 5.6707 7.4364 7.4364 7.6388 7.6388 7.7721 7.7721 7.9014 7.9014 8.1976 8.1976 8.4823 8.4823 8.5044 8.5044 9.9068 9.9068 10.0117 10.0117 10.5145 10.5145 k = 0.1333 1.0201 0.3954 ( 8996 PWs) bands (ev): -3.0088 -3.0088 -2.9183 -2.9183 -2.9112 -2.9112 -2.8847 -2.8847 2.8147 2.8147 3.2757 3.2757 3.3206 3.3206 3.9946 3.9946 4.3243 4.3243 4.7004 4.7004 4.8413 4.8413 5.0249 5.0249 5.1421 5.1421 5.4273 5.4273 5.5815 5.5815 5.6847 5.6847 7.4118 7.4118 7.6258 7.6258 7.7760 7.7760 7.9291 7.9291 8.2001 8.2001 8.4762 8.4762 8.4995 8.4995 9.9165 9.9165 9.9968 9.9968 10.4909 10.4909 k = 0.1167 1.0243 0.3782 ( 8986 PWs) bands (ev): -3.0108 -3.0108 -2.9182 -2.9182 -2.9106 -2.9106 -2.8832 -2.8832 2.8193 2.8193 3.2663 3.2663 3.3181 3.3181 3.9947 3.9947 4.3286 4.3286 4.6960 4.6960 4.8579 4.8579 5.0275 5.0275 5.1317 5.1317 5.4230 5.4230 5.5797 5.5797 5.6989 5.6989 7.3877 7.3877 7.6139 7.6139 7.7800 7.7800 7.9566 7.9566 8.2010 8.2010 8.4703 8.4703 8.4943 8.4943 9.9259 9.9259 9.9826 9.9826 10.4694 10.4694 k = 0.1000 1.0285 0.3610 ( 8984 PWs) bands (ev): -3.0127 -3.0127 -2.9182 -2.9182 -2.9102 -2.9102 -2.8816 -2.8816 2.8240 2.8240 3.2569 3.2569 3.3160 3.3160 3.9937 3.9937 4.3345 4.3345 4.6915 4.6915 4.8736 4.8736 5.0305 5.0305 5.1210 5.1210 5.4194 5.4194 5.5777 5.5777 5.7127 5.7127 7.3649 7.3649 7.6031 7.6031 7.7839 7.7839 7.9837 7.9837 8.1997 8.1997 8.4650 8.4650 8.4889 8.4889 9.9340 9.9340 9.9704 9.9704 10.4505 10.4505 k = 0.0833 1.0327 0.3438 ( 8982 PWs) bands (ev): -3.0144 -3.0144 -2.9182 -2.9182 -2.9098 -2.9098 -2.8802 -2.8802 2.8284 2.8284 3.2481 3.2481 3.3141 3.3141 3.9920 3.9920 4.3415 4.3415 4.6870 4.6870 4.8877 4.8877 5.0339 5.0339 5.1103 5.1103 5.4164 5.4164 5.5757 5.5757 5.7255 5.7255 7.3441 7.3441 7.5937 7.5937 7.7875 7.7875 8.0100 8.0100 8.1962 8.1962 8.4604 8.4604 8.4836 8.4836 9.9384 9.9384 9.9626 9.9626 10.4343 10.4343 k = 0.0667 1.0369 0.3266 ( 8972 PWs) bands (ev): -3.0158 -3.0158 -2.9182 -2.9182 -2.9095 -2.9095 -2.8789 -2.8789 2.8325 2.8325 3.2402 3.2402 3.3126 3.3126 3.9900 3.9900 4.3488 4.3488 4.6828 4.6828 4.8998 4.8998 5.0379 5.0379 5.0998 5.0998 5.4141 5.4141 5.5739 5.5739 5.7366 5.7366 7.3260 7.3260 7.5858 7.5858 7.7907 7.7907 8.0351 8.0351 8.1902 8.1902 8.4567 8.4567 8.4786 8.4786 9.9360 9.9360 9.9623 9.9623 10.4210 10.4210 k = 0.0500 1.0412 0.3094 ( 8986 PWs) bands (ev): -3.0170 -3.0170 -2.9182 -2.9182 -2.9093 -2.9093 -2.8778 -2.8778 2.8359 2.8359 3.2336 3.2336 3.3113 3.3113 3.9880 3.9880 4.3555 4.3555 4.6792 4.6792 4.9095 4.9095 5.0425 5.0425 5.0897 5.0897 5.4125 5.4125 5.5723 5.5723 5.7458 5.7458 7.3113 7.3113 7.5795 7.5795 7.7933 7.7933 8.0587 8.0587 8.1820 8.1820 8.4539 8.4539 8.4742 8.4742 9.9303 9.9303 9.9660 9.9660 10.4107 10.4107 k = 0.0333 1.0454 0.2922 ( 8984 PWs) bands (ev): -3.0179 -3.0179 -2.9182 -2.9182 -2.9092 -2.9092 -2.8770 -2.8770 2.8385 2.8385 3.2287 3.2287 3.3104 3.3104 3.9863 3.9863 4.3609 4.3609 4.6765 4.6765 4.9166 4.9166 5.0478 5.0478 5.0803 5.0803 5.4114 5.4114 5.5712 5.5712 5.7526 5.7526 7.3003 7.3003 7.5749 7.5749 7.7952 7.7952 8.0796 8.0796 8.1721 8.1721 8.4521 8.4521 8.4708 8.4708 9.9252 9.9252 9.9698 9.9698 10.4033 10.4033 k = 0.0167 1.0496 0.2750 ( 8984 PWs) bands (ev): -3.0184 -3.0184 -2.9182 -2.9182 -2.9091 -2.9091 -2.8765 -2.8765 2.8402 2.8402 3.2257 3.2257 3.3098 3.3098 3.9852 3.9852 4.3644 4.3644 4.6747 4.6747 4.9209 4.9209 5.0537 5.0537 5.0718 5.0718 5.4108 5.4108 5.5704 5.5704 5.7568 5.7568 7.2936 7.2936 7.5721 7.5721 7.7965 7.7965 8.0960 8.0960 8.1624 8.1624 8.4510 8.4510 8.4686 8.4686 9.9219 9.9219 9.9723 9.9723 10.3989 10.3989 k = 0.0000 1.0538 0.2578 ( 8984 PWs) bands (ev): -3.0186 -3.0186 -2.9182 -2.9182 -2.9091 -2.9091 -2.8764 -2.8764 2.8407 2.8407 3.2247 3.2247 3.3096 3.3096 3.9849 3.9849 4.3657 4.3657 4.6741 4.6741 4.9223 4.9223 5.0577 5.0577 5.0669 5.0669 5.4107 5.4107 5.5702 5.5702 5.7583 5.7583 7.2914 7.2914 7.5712 7.5712 7.7969 7.7969 8.1029 8.1029 8.1577 8.1577 8.4507 8.4507 8.4678 8.4678 9.9207 9.9207 9.9732 9.9732 10.3974 10.3974 k = 0.0000 1.0538 0.2578 ( 8984 PWs) bands (ev): -3.0186 -3.0186 -2.9182 -2.9182 -2.9091 -2.9091 -2.8764 -2.8764 2.8407 2.8407 3.2247 3.2247 3.3096 3.3096 3.9849 3.9849 4.3657 4.3657 4.6741 4.6741 4.9223 4.9223 5.0577 5.0577 5.0669 5.0669 5.4107 5.4107 5.5702 5.5702 5.7583 5.7583 7.2914 7.2914 7.5712 7.5712 7.7969 7.7969 8.1029 8.1029 8.1577 8.1577 8.4507 8.4507 8.4678 8.4678 9.9207 9.9207 9.9732 9.9732 10.3974 10.3974 k =-0.0176 1.0498 0.2740 ( 8987 PWs) bands (ev): -3.0195 -3.0195 -2.9180 -2.9180 -2.9085 -2.9085 -2.8766 -2.8766 2.8404 2.8404 3.2248 3.2248 3.3089 3.3089 3.9839 3.9839 4.3648 4.3648 4.6758 4.6758 4.9226 4.9226 5.0564 5.0564 5.0693 5.0693 5.4113 5.4113 5.5718 5.5718 5.7585 5.7585 7.2921 7.2921 7.5699 7.5699 7.7916 7.7916 8.1041 8.1041 8.1617 8.1617 8.4333 8.4333 8.4872 8.4872 9.9019 9.9019 9.9826 9.9826 10.4019 10.4019 k =-0.0352 1.0459 0.2901 ( 8991 PWs) bands (ev): -3.0222 -3.0222 -2.9173 -2.9173 -2.9069 -2.9069 -2.8772 -2.8772 2.8396 2.8396 3.2253 3.2253 3.3068 3.3068 3.9809 3.9809 4.3624 4.3624 4.6806 4.6806 4.9235 4.9235 5.0544 5.0544 5.0747 5.0747 5.4133 5.4133 5.5766 5.5766 5.7591 5.7591 7.2944 7.2944 7.5659 7.5659 7.7773 7.7773 8.1037 8.1037 8.1760 8.1760 8.4120 8.4120 8.5146 8.5146 9.8633 9.8633 9.9929 9.9929 10.4153 10.4153 k =-0.0528 1.0419 0.3062 ( 8993 PWs) bands (ev): -3.0263 -3.0263 -2.9166 -2.9166 -2.9041 -2.9041 -2.8782 -2.8782 2.8384 2.8384 3.2260 3.2260 3.3034 3.3034 3.9761 3.9761 4.3587 4.3587 4.6882 4.6882 4.9250 4.9250 5.0533 5.0533 5.0813 5.0813 5.4166 5.4166 5.5845 5.5845 5.7602 5.7602 7.2982 7.2982 7.5592 7.5592 7.7570 7.7570 8.0973 8.0973 8.2016 8.2016 8.3937 8.3937 8.5436 8.5436 9.8169 9.8169 9.9940 9.9940 10.4375 10.4375 k =-0.0705 1.0380 0.3223 ( 8999 PWs) bands (ev): -3.0317 -3.0317 -2.9158 -2.9158 -2.9005 -2.9005 -2.8795 -2.8795 2.8368 2.8368 3.2269 3.2269 3.2989 3.2989 3.9698 3.9698 4.3539 4.3539 4.6981 4.6981 4.9272 4.9272 5.0534 5.0534 5.0887 5.0887 5.4212 5.4212 5.5949 5.5949 5.7616 5.7616 7.3034 7.3034 7.5499 7.5499 7.7340 7.7340 8.0845 8.0845 8.2345 8.2345 8.3804 8.3804 8.5737 8.5737 9.7657 9.7657 9.9850 9.9850 10.4674 10.4674 k =-0.0881 1.0341 0.3384 ( 8983 PWs) bands (ev): -3.0379 -3.0379 -2.9151 -2.9151 -2.8964 -2.8964 -2.8811 -2.8811 2.8349 2.8349 3.2278 3.2278 3.2936 3.2936 3.9623 3.9623 4.3484 4.3484 4.7097 4.7097 4.9302 4.9302 5.0547 5.0547 5.0966 5.0966 5.4271 5.4271 5.6076 5.6076 5.7633 5.7633 7.3101 7.3101 7.5382 7.5382 7.7105 7.7105 8.0667 8.0667 8.2674 8.2674 8.3760 8.3760 8.6044 8.6044 9.7111 9.7111 9.9680 9.9680 10.5031 10.5031 k =-0.1057 1.0301 0.3545 ( 8978 PWs) bands (ev): -3.0446 -3.0446 -2.9144 -2.9144 -2.8925 -2.8925 -2.8826 -2.8826 2.8329 2.8329 3.2285 3.2285 3.2877 3.2877 3.9539 3.9539 4.3423 4.3423 4.7224 4.7224 4.9342 4.9342 5.0575 5.0575 5.1048 5.1048 5.4340 5.4340 5.6220 5.6220 5.7652 5.7652 7.3181 7.3181 7.5243 7.5243 7.6882 7.6882 8.0448 8.0448 8.2896 8.2896 8.3894 8.3894 8.6354 8.6354 9.6542 9.6542 9.9457 9.9457 10.5427 10.5427 k =-0.1233 1.0262 0.3706 ( 8974 PWs) bands (ev): -3.0517 -3.0517 -2.9138 -2.9138 -2.8902 -2.8902 -2.8827 -2.8827 2.8309 2.8309 3.2289 3.2289 3.2816 3.2816 3.9450 3.9450 4.3360 4.3360 4.7354 4.7354 4.9391 4.9391 5.0617 5.0617 5.1130 5.1130 5.4416 5.4416 5.6377 5.6377 5.7674 5.7674 7.3274 7.3274 7.5087 7.5087 7.6679 7.6679 8.0198 8.0198 8.2956 8.2956 8.4241 8.4241 8.6665 8.6665 9.5954 9.5954 9.9207 9.9207 10.5843 10.5843 k =-0.1409 1.0222 0.3868 ( 8966 PWs) bands (ev): -3.0590 -3.0590 -2.9134 -2.9134 -2.8911 -2.8911 -2.8801 -2.8801 2.8292 2.8292 3.2288 3.2288 3.2757 3.2757 3.9359 3.9359 4.3295 4.3295 4.7483 4.7483 4.9453 4.9453 5.0674 5.0674 5.1212 5.1212 5.4495 5.4495 5.6541 5.6541 5.7696 5.7696 7.3377 7.3377 7.4920 7.4920 7.6500 7.6500 7.9927 7.9927 8.2931 8.2931 8.4714 8.4714 8.6974 8.6974 9.5352 9.5352 9.8951 9.8951 10.6264 10.6264 k =-0.1585 1.0183 0.4029 ( 8966 PWs) bands (ev): -3.0663 -3.0663 -2.9131 -2.9131 -2.8937 -2.8937 -2.8764 -2.8764 2.8278 2.8278 3.2282 3.2282 3.2703 3.2703 3.9271 3.9271 4.3229 4.3229 4.7606 4.7606 4.9526 4.9526 5.0745 5.0745 5.1292 5.1292 5.4572 5.4572 5.6708 5.6708 5.7718 5.7718 7.3488 7.3488 7.4751 7.4751 7.6346 7.6346 7.9643 7.9643 8.2879 8.2879 8.5245 8.5245 8.7276 8.7276 9.4740 9.4740 9.8706 9.8706 10.6679 10.6679 k =-0.1762 1.0143 0.4190 ( 8954 PWs) bands (ev): -3.0736 -3.0736 -2.9131 -2.9131 -2.8968 -2.8968 -2.8727 -2.8727 2.8270 2.8270 3.2268 3.2268 3.2659 3.2659 3.9188 3.9188 4.3163 4.3163 4.7718 4.7718 4.9611 4.9611 5.0831 5.0831 5.1368 5.1368 5.4644 5.4644 5.6869 5.6869 5.7742 5.7742 7.3605 7.3605 7.4589 7.4589 7.6217 7.6217 7.9357 7.9357 8.2821 8.2821 8.5803 8.5803 8.7567 8.7567 9.4126 9.4126 9.8485 9.8485 10.7074 10.7074 k =-0.1938 1.0104 0.4351 ( 8967 PWs) bands (ev): -3.0806 -3.0806 -2.9135 -2.9135 -2.9003 -2.9003 -2.8692 -2.8692 2.8270 2.8270 3.2250 3.2250 3.2626 3.2626 3.9113 3.9113 4.3097 4.3097 4.7819 4.7819 4.9705 4.9705 5.0931 5.0931 5.1440 5.1440 5.4706 5.4706 5.7020 5.7020 5.7766 5.7766 7.3722 7.3722 7.4440 7.4440 7.6112 7.6112 7.9079 7.9079 8.2762 8.2762 8.6372 8.6372 8.7842 8.7842 9.3515 9.3515 9.8299 9.8299 10.7439 10.7439 k =-0.2114 1.0065 0.4512 ( 8970 PWs) bands (ev): -3.0874 -3.0874 -2.9144 -2.9144 -2.9039 -2.9039 -2.8661 -2.8661 2.8279 2.8279 3.2228 3.2228 3.2604 3.2604 3.9046 3.9046 4.3031 4.3031 4.7908 4.7908 4.9806 4.9806 5.1043 5.1043 5.1507 5.1507 5.4757 5.4757 5.7153 5.7153 5.7793 5.7793 7.3835 7.3835 7.4312 7.4312 7.6030 7.6030 7.8820 7.8820 8.2704 8.2704 8.6936 8.6936 8.8098 8.8098 9.2917 9.2917 9.8157 9.8157 10.7761 10.7761 k =-0.2290 1.0025 0.4673 ( 8968 PWs) bands (ev): -3.0940 -3.0940 -2.9160 -2.9160 -2.9077 -2.9077 -2.8634 -2.8634 2.8299 2.8299 3.2208 3.2208 3.2593 3.2593 3.8990 3.8990 4.2966 4.2966 4.7986 4.7986 4.9910 4.9910 5.1164 5.1164 5.1567 5.1567 5.4792 5.4792 5.7260 5.7260 5.7823 5.7823 7.3936 7.3936 7.4209 7.4209 7.5973 7.5973 7.8591 7.8591 8.2649 8.2649 8.7474 8.7474 8.8335 8.8335 9.2347 9.2347 9.8065 9.8065 10.8026 10.8032 k =-0.2466 0.9986 0.4834 ( 8972 PWs) bands (ev): -3.1002 -3.1002 -2.9184 -2.9184 -2.9115 -2.9115 -2.8610 -2.8610 2.8331 2.8331 3.2194 3.2194 3.2591 3.2591 3.8945 3.8945 4.2901 4.2901 4.8054 4.8054 5.0012 5.0012 5.1289 5.1289 5.1621 5.1621 5.4812 5.4812 5.7339 5.7339 5.7858 5.7858 7.4017 7.4017 7.4137 7.4137 7.5940 7.5940 7.8406 7.8406 8.2595 8.2595 8.7942 8.7942 8.8561 8.8561 9.1836 9.1836 9.8029 9.8029 10.8202 10.8213 k =-0.2642 0.9946 0.4996 ( 8986 PWs) bands (ev): -3.1061 -3.1061 -2.9217 -2.9217 -2.9154 -2.9154 -2.8589 -2.8589 2.8379 2.8379 3.2188 3.2188 3.2598 3.2598 3.8912 3.8912 4.2837 4.2837 4.8113 4.8113 5.0107 5.0107 5.1410 5.1410 5.1671 5.1671 5.4816 5.4816 5.7387 5.7387 5.7895 5.7895 7.4067 7.4067 7.4102 7.4102 7.5933 7.5933 7.8274 7.8274 8.2543 8.2543 8.8267 8.8267 8.8785 8.8785 9.1441 9.1441 9.8051 9.8051 10.8276 10.8279 k =-0.2818 0.9907 0.5157 ( 8972 PWs) bands (ev): -3.1116 -3.1116 -2.9257 -2.9257 -2.9196 -2.9196 -2.8571 -2.8571 2.8443 2.8443 3.2194 3.2194 3.2614 3.2614 3.8892 3.8892 4.2774 4.2774 4.8165 4.8165 5.0191 5.0191 5.1512 5.1512 5.1728 5.1728 5.4802 5.4802 5.7408 5.7408 5.7930 5.7930 7.4078 7.4078 7.4108 7.4108 7.5953 7.5953 7.8203 7.8203 8.2491 8.2491 8.8414 8.8414 8.8933 8.8933 9.1269 9.1269 9.8132 9.8132 10.8261 10.8262 k =-0.2818 0.9907 0.5157 ( 8972 PWs) bands (ev): -3.1116 -3.1116 -2.9257 -2.9257 -2.9196 -2.9196 -2.8571 -2.8571 2.8443 2.8443 3.2194 3.2194 3.2614 3.2614 3.8892 3.8892 4.2774 4.2774 4.8165 4.8165 5.0191 5.0191 5.1512 5.1512 5.1728 5.1728 5.4802 5.4802 5.7408 5.7408 5.7930 5.7930 7.4078 7.4078 7.4108 7.4108 7.5953 7.5953 7.8203 7.8203 8.2491 8.2491 8.8414 8.8414 8.8933 8.8933 9.1269 9.1269 9.8132 9.8132 10.8261 10.8264 k =-0.2879 0.9667 0.5157 ( 8964 PWs) bands (ev): -3.1281 -3.1281 -2.9398 -2.9398 -2.9337 -2.9337 -2.8533 -2.8533 2.8701 2.8701 3.2252 3.2252 3.2697 3.2697 3.8848 3.8848 4.2590 4.2590 4.8304 4.8304 5.0426 5.0426 5.1779 5.1779 5.1916 5.1916 5.4737 5.4737 5.7428 5.7428 5.7999 5.7999 7.4130 7.4130 7.4151 7.4151 7.6071 7.6071 7.8078 7.8078 8.2327 8.2327 8.8623 8.8623 8.9137 8.9137 9.1161 9.1161 9.8520 9.8520 10.7873 10.7874 k =-0.2940 0.9427 0.5157 ( 8956 PWs) bands (ev): -3.1448 -3.1448 -2.9556 -2.9556 -2.9494 -2.9494 -2.8528 -2.8528 2.9030 2.9030 3.2352 3.2352 3.2823 3.2823 3.8803 3.8803 4.2414 4.2414 4.8418 4.8418 5.0663 5.0663 5.2057 5.2057 5.2088 5.2088 5.4674 5.4674 5.7429 5.7429 5.8011 5.8011 7.4223 7.4223 7.4238 7.4238 7.6227 7.6227 7.7934 7.7934 8.2151 8.2151 8.8858 8.8858 8.9368 8.9368 9.0975 9.0975 9.8999 9.8999 10.7269 10.7269 k =-0.3000 0.9186 0.5157 ( 8956 PWs) bands (ev): -3.1619 -3.1619 -2.9729 -2.9729 -2.9666 -2.9666 -2.8554 -2.8554 2.9426 2.9426 3.2494 3.2494 3.2990 3.2990 3.8756 3.8756 4.2247 4.2247 4.8508 4.8508 5.0905 5.0905 5.2235 5.2235 5.2347 5.2347 5.4619 5.4619 5.7412 5.7412 5.7966 5.7966 7.4347 7.4347 7.4377 7.4377 7.6422 7.6422 7.7766 7.7766 8.1970 8.1970 8.9118 8.9118 8.9621 8.9621 9.0728 9.0728 9.9547 9.9547 10.6591 10.6591 k =-0.3061 0.8946 0.5157 ( 8964 PWs) bands (ev): -3.1792 -3.1792 -2.9915 -2.9915 -2.9853 -2.9853 -2.8611 -2.8611 2.9886 2.9886 3.2675 3.2675 3.3194 3.3194 3.8707 3.8707 4.2093 4.2093 4.8572 4.8572 5.1152 5.1152 5.2354 5.2354 5.2644 5.2644 5.4582 5.4582 5.7378 5.7378 5.7868 5.7868 7.4506 7.4506 7.4562 7.4562 7.6654 7.6654 7.7573 7.7573 8.1791 8.1791 8.9401 8.9401 8.9884 8.9884 9.0448 9.0448 10.0146 10.0146 10.5894 10.5894 k =-0.3121 0.8706 0.5157 ( 8972 PWs) bands (ev): -3.1966 -3.1966 -3.0115 -3.0115 -3.0052 -3.0052 -2.8695 -2.8695 3.0404 3.0404 3.2895 3.2895 3.3433 3.3433 3.8655 3.8655 4.1953 4.1953 4.8611 4.8611 5.1404 5.1404 5.2437 5.2437 5.2948 5.2948 5.4570 5.4570 5.7331 5.7331 5.7719 5.7719 7.4701 7.4701 7.4787 7.4787 7.6924 7.6924 7.7351 7.7351 8.1621 8.1621 8.9704 8.9704 8.9985 8.9985 9.0314 9.0314 10.0780 10.0780 10.5195 10.5195 k =-0.3182 0.8466 0.5157 ( 8968 PWs) bands (ev): -3.2142 -3.2142 -3.0325 -3.0325 -3.0262 -3.0262 -2.8806 -2.8806 3.0973 3.0973 3.3151 3.3151 3.3705 3.3705 3.8601 3.8601 4.1831 4.1831 4.8621 4.8621 5.1660 5.1660 5.2478 5.2478 5.3258 5.3258 5.4591 5.4591 5.7274 5.7274 5.7527 5.7527 7.4931 7.4931 7.5047 7.5047 7.7099 7.7099 7.7231 7.7231 8.1468 8.1468 8.9681 8.9681 9.0026 9.0026 9.0576 9.0576 10.1437 10.1437 10.4500 10.4500 k =-0.3243 0.8226 0.5157 ( 8944 PWs) bands (ev): -3.2318 -3.2318 -3.0546 -3.0546 -3.0483 -3.0483 -2.8940 -2.8940 3.1582 3.1582 3.3442 3.3442 3.4005 3.4005 3.8544 3.8544 4.1734 4.1734 4.8601 4.8601 5.1921 5.1921 5.2477 5.2477 5.3573 5.3573 5.4650 5.4650 5.7215 5.7215 5.7298 5.7298 7.5191 7.5191 7.5339 7.5339 7.6815 7.6815 7.7571 7.7571 8.1339 8.1339 8.9308 8.9308 9.0364 9.0364 9.0906 9.0906 10.2105 10.2105 10.3814 10.3814 k =-0.3303 0.7986 0.5157 ( 8980 PWs) bands (ev): -3.2495 -3.2495 -3.0775 -3.0775 -3.0712 -3.0712 -2.9097 -2.9097 3.2220 3.2220 3.3767 3.3767 3.4332 3.4332 3.8484 3.8484 4.1669 4.1669 4.8548 4.8548 5.2185 5.2185 5.2438 5.2438 5.3891 5.3891 5.4742 5.4742 5.7034 5.7034 5.7167 5.7167 7.5480 7.5480 7.5657 7.5657 7.6499 7.6499 7.7942 7.7942 8.1238 8.1238 8.8916 8.8916 9.0715 9.0715 9.1256 9.1256 10.2775 10.2775 10.3136 10.3136 k =-0.3364 0.7746 0.5157 ( 8996 PWs) bands (ev): -3.2671 -3.2671 -3.1011 -3.1011 -3.0948 -3.0948 -2.9272 -2.9272 3.2866 3.2866 3.4129 3.4129 3.4679 3.4679 3.8421 3.8421 4.1647 4.1647 4.8461 4.8461 5.2370 5.2370 5.2451 5.2451 5.4209 5.4209 5.4862 5.4862 5.6753 5.6753 5.7129 5.7129 7.5794 7.5794 7.5979 7.5979 7.6173 7.6173 7.8339 7.8339 8.1170 8.1170 8.8517 8.8517 9.1075 9.1075 9.1618 9.1618 10.2467 10.2467 10.3441 10.3441 k =-0.3424 0.7505 0.5157 ( 8988 PWs) bands (ev): -3.2846 -3.2846 -3.1253 -3.1253 -3.1190 -3.1190 -2.9464 -2.9464 3.3499 3.3499 3.4528 3.4528 3.5044 3.5044 3.8357 3.8357 4.1684 4.1684 4.8337 4.8337 5.2282 5.2282 5.2716 5.2716 5.4518 5.4518 5.5000 5.5000 5.6464 5.6464 5.7116 5.7116 7.5760 7.5760 7.6131 7.6131 7.6378 7.6378 7.8756 7.8756 8.1137 8.1137 8.8120 8.8120 9.1440 9.1440 9.1985 9.1985 10.1808 10.1808 10.4090 10.4090 k =-0.3485 0.7265 0.5157 ( 8988 PWs) bands (ev): -3.3019 -3.3019 -3.1498 -3.1498 -3.1435 -3.1435 -2.9669 -2.9669 3.4089 3.4089 3.4966 3.4966 3.5419 3.5419 3.8293 3.8293 4.1801 4.1801 4.8178 4.8178 5.2181 5.2181 5.2981 5.2981 5.4799 5.4799 5.5149 5.5149 5.6195 5.6195 5.7133 5.7133 7.5361 7.5361 7.6486 7.6486 7.6755 7.6755 7.9188 7.9188 8.1142 8.1142 8.7733 8.7733 9.1805 9.1805 9.2352 9.2352 10.1158 10.1158 10.4125 10.4126 k =-0.3546 0.7025 0.5157 ( 8988 PWs) bands (ev): -3.3190 -3.3190 -3.1746 -3.1746 -3.1684 -3.1684 -2.9887 -2.9887 3.4616 3.4616 3.5432 3.5432 3.5797 3.5797 3.8233 3.8233 4.2022 4.2022 4.7984 4.7984 5.2074 5.2074 5.3242 5.3242 5.4989 5.4989 5.5306 5.5306 5.6013 5.6013 5.7186 5.7186 7.4938 7.4938 7.6857 7.6857 7.7148 7.7148 7.9623 7.9623 8.1185 8.1185 8.7369 8.7369 9.2163 9.2163 9.2712 9.2712 10.0515 10.0515 10.3536 10.3537 k =-0.3606 0.6785 0.5157 ( 8972 PWs) bands (ev): -3.3359 -3.3359 -3.1996 -3.1996 -3.1933 -3.1933 -3.0113 -3.0113 3.5076 3.5076 3.5896 3.5896 3.6168 3.6168 3.8183 3.8183 4.2373 4.2373 4.7761 4.7761 5.1962 5.1962 5.3494 5.3494 5.4974 5.4974 5.5467 5.5467 5.6041 5.6041 5.7276 5.7276 7.4498 7.4498 7.7242 7.7242 7.7552 7.7552 8.0049 8.0049 8.1264 8.1264 8.7041 8.7041 9.2508 9.2508 9.3058 9.3058 9.9878 9.9878 10.2958 10.2958 k =-0.3667 0.6545 0.5157 ( 8956 PWs) bands (ev): -3.3524 -3.3524 -3.2245 -3.2245 -3.2183 -3.2183 -3.0347 -3.0347 3.5473 3.5473 3.6331 3.6331 3.6515 3.6515 3.8155 3.8155 4.2874 4.2874 4.7512 4.7512 5.1849 5.1849 5.3726 5.3726 5.4785 5.4785 5.5636 5.5636 5.6265 5.6265 5.7402 5.7402 7.4047 7.4047 7.7636 7.7636 7.7965 7.7965 8.0448 8.0448 8.1380 8.1380 8.6769 8.6769 9.2830 9.2830 9.3378 9.3378 9.9244 9.9244 10.2403 10.2403 k =-0.3727 0.6305 0.5157 ( 8940 PWs) bands (ev): -3.3686 -3.3686 -3.2493 -3.2493 -3.2431 -3.2431 -3.0584 -3.0584 3.5798 3.5798 3.6731 3.6731 3.6810 3.6810 3.8175 3.8175 4.3527 4.3527 4.7244 4.7244 5.1737 5.1737 5.3891 5.3891 5.4584 5.4584 5.5813 5.5813 5.6572 5.6572 5.7558 5.7558 7.3590 7.3590 7.8039 7.8039 7.8383 7.8383 8.0796 8.0796 8.1532 8.1532 8.6577 8.6577 9.3120 9.3120 9.3662 9.3662 9.8611 9.8611 10.1887 10.1889 k =-0.3788 0.6065 0.5157 ( 8936 PWs) bands (ev): -3.3844 -3.3844 -3.2737 -3.2737 -3.2676 -3.2676 -3.0824 -3.0824 3.6037 3.6037 3.7012 3.7012 3.7116 3.7116 3.8275 3.8275 4.4321 4.4321 4.6961 4.6961 5.1629 5.1629 5.3856 5.3856 5.4559 5.4559 5.6003 5.6003 5.6910 5.6910 5.7739 5.7739 7.3131 7.3131 7.8445 7.8445 7.8803 7.8803 8.1066 8.1066 8.1718 8.1718 8.6493 8.6493 9.3364 9.3364 9.3895 9.3895 9.7974 9.7974 10.1425 10.1426 k =-0.3849 0.5824 0.5157 ( 8952 PWs) bands (ev): -3.3997 -3.3997 -3.2978 -3.2978 -3.2917 -3.2917 -3.1065 -3.1065 3.6185 3.6185 3.7103 3.7103 3.7504 3.7504 3.8471 3.8471 4.5233 4.5233 4.6669 4.6669 5.1531 5.1531 5.3631 5.3631 5.4723 5.4723 5.6207 5.6207 5.7261 5.7261 5.7939 5.7939 7.2674 7.2674 7.8853 7.8853 7.9224 7.9224 8.1232 8.1232 8.1937 8.1937 8.6545 8.6545 9.3551 9.3551 9.4064 9.4064 9.7330 9.7330 10.1034 10.1039 k =-0.3909 0.5584 0.5157 ( 8940 PWs) bands (ev): -3.4146 -3.4146 -3.3214 -3.3214 -3.3153 -3.3153 -3.1304 -3.1304 3.6252 3.6252 3.7105 3.7105 3.7900 3.7900 3.8738 3.8738 4.6235 4.6235 4.6374 4.6374 5.1444 5.1444 5.3358 5.3358 5.4948 5.4948 5.6425 5.6425 5.7617 5.7617 5.8151 5.8151 7.2226 7.2226 7.9259 7.9259 7.9642 7.9642 8.1282 8.1282 8.2186 8.2186 8.6745 8.6745 9.3669 9.3669 9.4156 9.4156 9.6673 9.6673 10.0722 10.0726 k =-0.3970 0.5344 0.5157 ( 8952 PWs) bands (ev): -3.4288 -3.4288 -3.3443 -3.3443 -3.3382 -3.3382 -3.1539 -3.1539 3.6256 3.6256 3.7053 3.7053 3.8302 3.8302 3.9036 3.9036 4.6080 4.6080 4.7297 4.7297 5.1375 5.1375 5.3093 5.3093 5.5192 5.5192 5.6657 5.6657 5.7974 5.7974 5.8370 5.8370 7.1789 7.1789 7.9657 7.9657 8.0053 8.0053 8.1226 8.1226 8.2463 8.2463 8.7086 8.7086 9.3711 9.3711 9.4166 9.4166 9.5999 9.5999 10.0498 10.0503 k =-0.4030 0.5104 0.5157 ( 8952 PWs) bands (ev): -3.4425 -3.4425 -3.3664 -3.3664 -3.3604 -3.3604 -3.1769 -3.1769 3.6216 3.6216 3.6971 3.6971 3.8702 3.8702 3.9336 3.9336 4.5790 4.5790 4.8380 4.8380 5.1326 5.1326 5.2865 5.2865 5.5447 5.5447 5.6901 5.6901 5.8329 5.8329 5.8593 5.8593 7.1368 7.1368 8.0040 8.0040 8.0453 8.0453 8.1089 8.1089 8.2766 8.2766 8.7547 8.7547 9.3677 9.3677 9.4097 9.4097 9.5303 9.5303 10.0359 10.0362 k =-0.4091 0.4864 0.5157 ( 8936 PWs) bands (ev): -3.4556 -3.4556 -3.3877 -3.3877 -3.3818 -3.3818 -3.1993 -3.1993 3.6146 3.6146 3.6873 3.6873 3.9093 3.9093 3.9623 3.9623 4.5508 4.5508 4.9428 4.9428 5.1301 5.1301 5.2718 5.2718 5.5715 5.5715 5.7154 5.7154 5.8679 5.8679 5.8816 5.8816 7.0968 7.0968 8.0381 8.0381 8.0839 8.0839 8.0917 8.0917 8.3092 8.3092 8.8102 8.8102 9.3575 9.3575 9.3964 9.3964 9.4581 9.4581 10.0289 10.0295 k =-0.4152 0.4624 0.5157 ( 8948 PWs) bands (ev): -3.4680 -3.4680 -3.4081 -3.4081 -3.4022 -3.4022 -3.2208 -3.2208 3.6056 3.6056 3.6766 3.6766 3.9471 3.9471 3.9889 3.9889 4.5237 4.5237 5.0320 5.0320 5.1302 5.1302 5.2752 5.2752 5.6005 5.6005 5.7415 5.7415 5.9021 5.9021 5.9039 5.9039 7.0592 7.0592 8.0493 8.0493 8.0917 8.0917 8.1204 8.1204 8.3438 8.3438 8.8728 8.8728 9.3407 9.3407 9.3787 9.3787 9.3846 9.3846 10.0265 10.0268 k =-0.4212 0.4384 0.5157 ( 8944 PWs) bands (ev): -3.4797 -3.4797 -3.4274 -3.4274 -3.4215 -3.4215 -3.2414 -3.2414 3.5953 3.5953 3.6653 3.6653 3.9832 3.9832 4.0127 4.0127 4.4979 4.4979 5.0853 5.0853 5.1330 5.1330 5.3135 5.3135 5.6338 5.6338 5.7678 5.7678 5.9249 5.9249 5.9362 5.9362 7.0244 7.0244 8.0288 8.0288 8.1188 8.1188 8.1543 8.1543 8.3798 8.3798 8.9409 8.9409 9.2954 9.2954 9.3331 9.3331 9.3593 9.3593 10.0264 10.0281 k =-0.4273 0.4143 0.5157 ( 8936 PWs) bands (ev): -3.4906 -3.4906 -3.4457 -3.4457 -3.4398 -3.4398 -3.2609 -3.2609 3.5843 3.5843 3.6539 3.6539 4.0171 4.0171 4.0336 4.0336 4.4736 4.4736 5.1005 5.1005 5.1384 5.1384 5.3841 5.3841 5.6753 5.6753 5.7942 5.7942 5.9457 5.9457 5.9691 5.9691 6.9931 6.9931 8.0025 8.0025 8.1477 8.1477 8.1851 8.1851 8.4169 8.4169 9.0128 9.0128 9.2150 9.2150 9.3126 9.3126 9.3406 9.3406 10.0260 10.0261 k =-0.4333 0.3903 0.5157 ( 8944 PWs) bands (ev): -3.5008 -3.5008 -3.4627 -3.4627 -3.4568 -3.4568 -3.2793 -3.2793 3.5731 3.5731 3.6426 3.6426 4.0486 4.0486 4.0514 4.0514 4.4510 4.4510 5.0975 5.0975 5.1462 5.1462 5.4592 5.4592 5.7311 5.7311 5.8202 5.8202 5.9655 5.9655 6.0012 6.0012 6.9658 6.9658 7.9753 7.9753 8.1739 8.1739 8.2120 8.2120 8.4544 8.4544 9.0875 9.0875 9.1283 9.1283 9.2964 9.2964 9.3249 9.3249 10.0238 10.0239 k =-0.4394 0.3663 0.5157 ( 8940 PWs) bands (ev): -3.5102 -3.5102 -3.4785 -3.4785 -3.4726 -3.4726 -3.2963 -3.2963 3.5620 3.5620 3.6316 3.6316 4.0662 4.0662 4.0773 4.0773 4.4301 4.4301 5.0888 5.0888 5.1559 5.1559 5.5201 5.5201 5.8054 5.8054 5.8456 5.8456 5.9842 5.9842 6.0330 6.0330 6.9432 6.9432 7.9487 7.9487 8.1963 8.1963 8.2346 8.2346 8.4914 8.4914 9.0379 9.0379 9.1631 9.1631 9.2841 9.2841 9.3150 9.3150 10.0181 10.0182 k =-0.4455 0.3423 0.5157 ( 8940 PWs) bands (ev): -3.5188 -3.5188 -3.4929 -3.4929 -3.4871 -3.4871 -3.3120 -3.3120 3.5514 3.5514 3.6210 3.6210 4.0783 4.0783 4.1032 4.1032 4.4111 4.4111 5.0790 5.0790 5.1672 5.1672 5.5635 5.5635 5.8700 5.8700 5.8933 5.8933 6.0016 6.0016 6.0659 6.0659 6.9263 6.9263 7.9232 7.9232 8.2144 8.2144 8.2527 8.2527 8.5263 8.5263 8.9455 8.9455 9.2340 9.2340 9.2766 9.2766 9.3169 9.3169 10.0083 10.0083 k =-0.4515 0.3183 0.5157 ( 8948 PWs) bands (ev): -3.5266 -3.5266 -3.5060 -3.5060 -3.5002 -3.5002 -3.3263 -3.3263 3.5413 3.5413 3.6111 3.6111 4.0879 4.0879 4.1261 4.1261 4.3940 4.3940 5.0698 5.0698 5.1795 5.1795 5.5941 5.5941 5.8930 5.8930 5.9810 5.9810 6.0177 6.0177 6.1046 6.1046 6.9163 6.9163 7.8994 7.8994 8.2281 8.2281 8.2661 8.2661 8.5560 8.5560 8.8546 8.8546 9.2735 9.2735 9.2774 9.2774 9.3542 9.3542 9.9941 9.9941 k =-0.4576 0.2943 0.5157 ( 8964 PWs) bands (ev): -3.5334 -3.5334 -3.5177 -3.5177 -3.5119 -3.5119 -3.3390 -3.3390 3.5320 3.5320 3.6019 3.6019 4.0953 4.0953 4.1459 4.1459 4.3788 4.3788 5.0619 5.0619 5.1922 5.1922 5.6166 5.6166 5.9144 5.9144 6.0322 6.0322 6.0487 6.0487 6.1605 6.1605 6.9149 6.9149 7.8776 7.8776 8.2376 8.2376 8.2752 8.2752 8.5719 8.5719 8.7744 8.7744 9.2770 9.2770 9.2916 9.2916 9.4262 9.4262 9.9758 9.9758 k =-0.4636 0.2703 0.5157 ( 8968 PWs) bands (ev): -3.5394 -3.5394 -3.5279 -3.5279 -3.5222 -3.5222 -3.3502 -3.3502 3.5237 3.5237 3.5937 3.5937 4.1009 4.1009 4.1628 4.1628 4.3656 4.3656 5.0554 5.0554 5.2046 5.2046 5.6338 5.6338 5.9337 5.9337 6.0451 6.0451 6.0890 6.0890 6.2338 6.2338 6.9239 6.9239 7.8582 7.8582 8.2433 8.2433 8.2804 8.2804 8.5513 8.5513 8.7282 8.7282 9.2846 9.2846 9.3038 9.3038 9.5062 9.5062 9.9543 9.9543 k =-0.4697 0.2462 0.5157 ( 8976 PWs) bands (ev): -3.5445 -3.5445 -3.5366 -3.5366 -3.5309 -3.5309 -3.3597 -3.3597 3.5165 3.5165 3.5865 3.5865 4.1050 4.1050 4.1768 4.1768 4.3545 4.3545 5.0504 5.0504 5.2162 5.2162 5.6472 5.6472 5.9507 5.9507 6.0562 6.0562 6.1144 6.1144 6.3064 6.3064 6.9447 6.9447 7.8413 7.8413 8.2462 8.2462 8.2826 8.2826 8.4865 8.4865 8.7254 8.7254 9.2958 9.2958 9.3183 9.3183 9.5876 9.5876 9.9308 9.9308 k =-0.4758 0.2222 0.5157 ( 8964 PWs) bands (ev): -3.5487 -3.5487 -3.5437 -3.5437 -3.5381 -3.5381 -3.3676 -3.3676 3.5105 3.5105 3.5805 3.5805 4.1079 4.1079 4.1879 4.1879 4.3453 4.3453 5.0466 5.0466 5.2265 5.2265 5.6576 5.6576 5.9652 5.9652 6.0654 6.0654 6.1327 6.1327 6.3667 6.3667 6.9770 6.9770 7.8273 7.8273 8.2469 8.2469 8.2825 8.2825 8.4059 8.4059 8.7399 8.7399 9.3090 9.3090 9.3346 9.3346 9.6680 9.6680 9.9071 9.9071 k =-0.4818 0.1982 0.5157 ( 8952 PWs) bands (ev): -3.5520 -3.5520 -3.5493 -3.5493 -3.5437 -3.5437 -3.3737 -3.3737 3.5057 3.5057 3.5757 3.5757 4.1099 4.1099 4.1964 4.1964 4.3382 4.3382 5.0439 5.0439 5.2350 5.2350 5.6653 5.6653 5.9767 5.9767 6.0726 6.0726 6.1461 6.1461 6.4111 6.4111 7.0167 7.0167 7.8161 7.8161 8.2463 8.2463 8.2804 8.2804 8.3290 8.3290 8.7567 8.7567 9.3223 9.3223 9.3511 9.3511 9.7448 9.7448 9.8856 9.8856 k =-0.4879 0.1742 0.5157 ( 8964 PWs) bands (ev): -3.5543 -3.5543 -3.5533 -3.5533 -3.5477 -3.5477 -3.3782 -3.3782 3.5022 3.5022 3.5722 3.5722 4.1112 4.1112 4.2024 4.2024 4.3331 4.3331 5.0421 5.0421 5.2414 5.2414 5.6707 5.6707 5.9851 5.9851 6.0779 6.0779 6.1554 6.1554 6.4402 6.4402 7.0563 7.0563 7.8081 7.8081 8.2453 8.2453 8.2583 8.2583 8.2847 8.2847 8.7705 8.7705 9.3338 9.3338 9.3655 9.3655 9.8117 9.8117 9.8709 9.8709 k =-0.4939 0.1502 0.5157 ( 8964 PWs) bands (ev): -3.5558 -3.5558 -3.5556 -3.5556 -3.5502 -3.5502 -3.3808 -3.3808 3.5001 3.5001 3.5701 3.5701 4.1119 4.1119 4.2059 4.2059 4.3301 4.3301 5.0411 5.0411 5.2453 5.2453 5.6740 5.6740 5.9902 5.9902 6.0810 6.0810 6.1609 6.1609 6.4563 6.4563 7.0858 7.0858 7.8032 7.8032 8.2171 8.2171 8.2445 8.2445 8.2812 8.2812 8.7795 8.7795 9.3416 9.3416 9.3754 9.3754 9.8412 9.8412 9.8841 9.8841 k =-0.5000 0.1262 0.5157 ( 8948 PWs) bands (ev): -3.5566 -3.5566 -3.5561 -3.5561 -3.5510 -3.5510 -3.3817 -3.3817 3.4994 3.4994 3.5694 3.5694 4.1121 4.1121 4.2071 4.2071 4.3290 4.3290 5.0408 5.0408 5.2466 5.2466 5.6750 5.6750 5.9920 5.9920 6.0821 6.0821 6.1628 6.1628 6.4614 6.4614 7.0968 7.0968 7.8016 7.8016 8.2019 8.2019 8.2441 8.2441 8.2806 8.2806 8.7826 8.7826 9.3444 9.3444 9.3789 9.3789 9.8412 9.8412 9.9023 9.9024 k = 0.0000 0.0000 0.5157 ( 8992 PWs) bands (ev): -3.8646 -3.8646 -3.8159 -3.8159 -3.1840 -3.1840 -3.0617 -3.0617 2.9374 2.9374 3.1092 3.1092 3.8070 3.8070 4.5295 4.5295 4.5655 4.5655 4.9978 4.9978 5.7507 5.7507 5.8556 5.8556 6.0634 6.0634 6.2678 6.2678 6.4506 6.4506 6.6050 6.6050 7.3873 7.3873 7.6444 7.6444 7.7030 7.7030 8.3058 8.3058 8.4057 8.4057 8.7764 8.7764 9.1606 9.1606 9.5067 9.5067 9.6503 9.6503 9.6772 9.6772 k = 0.0061 0.0242 0.5157 ( 8988 PWs) bands (ev): -3.8637 -3.8637 -3.8148 -3.8148 -3.1837 -3.1837 -3.0612 -3.0612 2.9389 2.9389 3.1106 3.1106 3.8080 3.8080 4.5294 4.5294 4.5642 4.5642 4.9971 4.9971 5.7488 5.7488 5.8537 5.8537 6.0596 6.0596 6.2662 6.2662 6.4479 6.4479 6.6044 6.6044 7.3683 7.3683 7.6450 7.6450 7.7162 7.7162 8.3096 8.3096 8.4034 8.4034 8.7800 8.7800 9.1592 9.1592 9.5003 9.5003 9.6309 9.6309 9.6800 9.6800 k = 0.0122 0.0483 0.5157 ( 8982 PWs) bands (ev): -3.8610 -3.8610 -3.8116 -3.8116 -3.1829 -3.1829 -3.0596 -3.0596 2.9434 2.9434 3.1147 3.1147 3.8109 3.8109 4.5289 4.5289 4.5606 4.5606 4.9950 4.9950 5.7433 5.7433 5.8477 5.8477 6.0484 6.0484 6.2613 6.2613 6.4404 6.4404 6.6022 6.6022 7.3185 7.3185 7.6494 7.6494 7.7465 7.7465 8.3211 8.3211 8.3968 8.3968 8.7897 8.7897 9.1556 9.1556 9.4822 9.4822 9.5903 9.5903 9.6870 9.6870 k = 0.0183 0.0725 0.5157 ( 8974 PWs) bands (ev): -3.8565 -3.8565 -3.8062 -3.8062 -3.1815 -3.1815 -3.0571 -3.0571 2.9509 2.9509 3.1215 3.1215 3.8157 3.8157 4.5279 4.5279 4.5545 4.5545 4.9916 4.9916 5.7341 5.7341 5.8374 5.8374 6.0302 6.0302 6.2528 6.2528 6.4285 6.4285 6.5976 6.5976 7.2512 7.2512 7.6588 7.6588 7.7821 7.7821 8.3394 8.3394 8.3864 8.3864 8.8022 8.8022 9.1515 9.1515 9.4554 9.4554 9.5448 9.5448 9.6968 9.6968 k = 0.0244 0.0967 0.5157 ( 8980 PWs) bands (ev): -3.8502 -3.8502 -3.7987 -3.7987 -3.1797 -3.1797 -3.0535 -3.0535 2.9613 2.9613 3.1310 3.1310 3.8223 3.8223 4.5257 4.5257 4.5467 4.5467 4.9869 4.9869 5.7215 5.7215 5.8221 5.8221 6.0062 6.0062 6.2400 6.2400 6.4132 6.4132 6.5885 6.5885 7.1772 7.1772 7.6722 7.6722 7.8170 7.8170 8.3579 8.3579 8.3789 8.3789 8.8122 8.8122 9.1497 9.1497 9.4233 9.4233 9.5004 9.5004 9.7089 9.7089 k = 0.0305 0.1208 0.5157 ( 8984 PWs) bands (ev): -3.8421 -3.8421 -3.7891 -3.7891 -3.1773 -3.1773 -3.0490 -3.0490 2.9747 2.9747 3.1430 3.1430 3.8306 3.8306 4.5203 4.5203 4.5389 4.5389 4.9811 4.9811 5.7054 5.7054 5.8011 5.8011 5.9778 5.9778 6.2223 6.2223 6.3958 6.3958 6.5717 6.5717 7.1051 7.1051 7.6886 7.6886 7.8496 7.8496 8.3477 8.3477 8.4028 8.4028 8.8137 8.8137 9.1534 9.1534 9.3883 9.3883 9.4595 9.4595 9.7225 9.7225 k = 0.0366 0.1450 0.5157 ( 8966 PWs) bands (ev): -3.8323 -3.8323 -3.7775 -3.7775 -3.1744 -3.1744 -3.0435 -3.0435 2.9910 2.9910 3.1576 3.1576 3.8407 3.8407 4.5087 4.5087 4.5338 4.5338 4.9741 4.9741 5.6859 5.6859 5.7735 5.7735 5.9470 5.9470 6.1984 6.1984 6.3772 6.3772 6.5429 6.5429 7.0433 7.0433 7.7072 7.7072 7.8793 7.8793 8.3270 8.3270 8.4396 8.4396 8.8026 8.8026 9.1635 9.1635 9.3515 9.3515 9.4254 9.4254 9.7371 9.7371 k = 0.0427 0.1691 0.5157 ( 8962 PWs) bands (ev): -3.8208 -3.8208 -3.7637 -3.7637 -3.1710 -3.1710 -3.0371 -3.0371 3.0102 3.0102 3.1747 3.1747 3.8522 3.8522 4.4915 4.4915 4.5309 4.5309 4.9658 4.9658 5.6627 5.6627 5.7391 5.7391 5.9157 5.9157 6.1670 6.1670 6.3579 6.3579 6.4991 6.4991 6.9988 6.9988 7.7272 7.7272 7.9064 7.9064 8.3030 8.3030 8.4813 8.4813 8.7783 8.7783 9.1763 9.1763 9.3133 9.3133 9.4028 9.4028 9.7523 9.7523 k = 0.0488 0.1933 0.5157 ( 8962 PWs) bands (ev): -3.8075 -3.8075 -3.7480 -3.7480 -3.1671 -3.1671 -3.0298 -3.0298 3.0321 3.0321 3.1940 3.1940 3.8651 3.8651 4.4700 4.4700 4.5287 4.5287 4.9561 4.9561 5.6348 5.6348 5.6992 5.6992 5.8852 5.8852 6.1260 6.1260 6.3376 6.3376 6.4422 6.4422 6.9741 6.9741 7.7482 7.7482 7.9314 7.9314 8.2770 8.2770 8.5256 8.5256 8.7431 8.7431 9.1840 9.1840 9.2744 9.2744 9.3970 9.3970 9.7676 9.7676 k = 0.0549 0.2175 0.5157 ( 8954 PWs) bands (ev): -3.7926 -3.7926 -3.7304 -3.7304 -3.1628 -3.1628 -3.0217 -3.0217 3.0568 3.0568 3.2155 3.2155 3.8791 3.8791 4.4449 4.4449 4.5264 4.5264 4.9444 4.9444 5.5996 5.5996 5.6578 5.6578 5.8557 5.8557 6.0728 6.0728 6.3140 6.3140 6.3815 6.3815 6.9673 6.9673 7.7699 7.7699 7.9543 7.9543 8.2494 8.2494 8.5703 8.5703 8.7005 8.7005 9.1805 9.1805 9.2369 9.2369 9.4105 9.4105 9.7821 9.7821 k = 0.0610 0.2416 0.5157 ( 8966 PWs) bands (ev): -3.7761 -3.7761 -3.7109 -3.7109 -3.1580 -3.1580 -3.0129 -3.0129 3.0842 3.0842 3.2389 3.2389 3.8939 3.8939 4.4165 4.4165 4.5238 4.5238 4.9303 4.9303 5.5547 5.5547 5.6196 5.6196 5.8266 5.8266 6.0055 6.0055 6.2783 6.2783 6.3335 6.3335 6.9742 6.9742 7.7921 7.7921 7.9754 7.9754 8.2209 8.2209 8.6086 8.6086 8.6574 8.6574 9.1660 9.1660 9.2038 9.2038 9.4394 9.4394 9.7953 9.7953 k = 0.0671 0.2658 0.5157 ( 8962 PWs) bands (ev): -3.7580 -3.7580 -3.6895 -3.6895 -3.1528 -3.1528 -3.0033 -3.0033 3.1141 3.1141 3.2642 3.2642 3.9093 3.9093 4.3851 4.3851 4.5208 4.5208 4.9128 4.9128 5.5019 5.5019 5.5848 5.5848 5.7966 5.7966 5.9250 5.9250 6.2286 6.2286 6.3057 6.3057 6.9912 6.9912 7.8145 7.8145 7.9946 7.9946 8.1917 8.1917 8.5915 8.5915 8.6618 8.6618 9.1455 9.1455 9.1772 9.1772 9.4774 9.4774 9.8061 9.8061 k = 0.0732 0.2900 0.5157 ( 8964 PWs) bands (ev): -3.7384 -3.7384 -3.6664 -3.6664 -3.1473 -3.1473 -2.9932 -2.9932 3.1465 3.1465 3.2910 3.2910 3.9249 3.9249 4.3508 4.3508 4.5171 4.5171 4.8910 4.8910 5.4458 5.4458 5.5508 5.5508 5.7619 5.7619 5.8389 5.8389 6.1776 6.1776 6.2860 6.2860 7.0156 7.0156 7.8371 7.8371 8.0115 8.0115 8.1624 8.1624 8.5409 8.5409 8.6892 8.6892 9.1277 9.1277 9.1559 9.1559 9.5198 9.5198 9.8138 9.8138 k = 0.0793 0.3141 0.5157 ( 8970 PWs) bands (ev): -3.7173 -3.7173 -3.6416 -3.6416 -3.1414 -3.1414 -2.9825 -2.9825 3.1812 3.1812 3.3190 3.3190 3.9400 3.9400 4.3142 4.3142 4.5126 4.5126 4.8638 4.8638 5.3895 5.3895 5.5147 5.5147 5.7059 5.7059 5.7703 5.7703 6.1295 6.1295 6.2690 6.2690 7.0456 7.0456 7.8596 7.8596 8.0256 8.0256 8.1332 8.1332 8.4879 8.4879 8.7050 8.7050 9.1194 9.1194 9.1392 9.1392 9.5641 9.5641 9.8175 9.8175 k = 0.0854 0.3383 0.5157 ( 8964 PWs) bands (ev): -3.6948 -3.6948 -3.6152 -3.6152 -3.1351 -3.1351 -2.9714 -2.9714 3.2181 3.2181 3.3480 3.3480 3.9542 3.9542 4.2755 4.2755 4.5071 4.5071 4.8306 4.8306 5.3344 5.3344 5.4723 5.4723 5.6258 5.6258 5.7308 5.7308 6.0837 6.0837 6.2532 6.2532 7.0799 7.0799 7.8817 7.8817 8.0363 8.0363 8.1046 8.1046 8.4355 8.4355 8.7046 8.7046 9.1169 9.1169 9.1341 9.1341 9.6084 9.6084 9.8173 9.8173 k = 0.0915 0.3624 0.5157 ( 8964 PWs) bands (ev): -3.6710 -3.6710 -3.5874 -3.5874 -3.1286 -3.1286 -2.9599 -2.9599 3.2569 3.2569 3.3775 3.3775 3.9667 3.9667 4.2352 4.2352 4.5003 4.5003 4.7911 4.7911 5.2799 5.2799 5.4180 5.4180 5.5539 5.5539 5.6996 5.6996 6.0397 6.0397 6.2383 6.2383 7.1177 7.1177 7.9031 7.9031 8.0423 8.0423 8.0774 8.0774 8.3851 8.3851 8.6887 8.6887 9.1095 9.1095 9.1503 9.1503 9.6518 9.6518 9.8142 9.8142 k = 0.0976 0.3866 0.5157 ( 8970 PWs) bands (ev): -3.6459 -3.6459 -3.5581 -3.5581 -3.1217 -3.1217 -2.9481 -2.9481 3.2975 3.2975 3.4070 3.4070 3.9764 3.9764 4.1939 4.1939 4.4913 4.4913 4.7463 4.7463 5.2216 5.2216 5.3542 5.3542 5.5019 5.5019 5.6704 5.6704 5.9966 5.9966 6.2242 6.2242 7.1581 7.1581 7.9229 7.9229 8.0411 8.0411 8.0540 8.0540 8.3378 8.3378 8.6607 8.6607 9.1045 9.1045 9.1756 9.1756 9.6932 9.6932 9.8113 9.8113 k = 0.1037 0.4108 0.5157 ( 8974 PWs) bands (ev): -3.6195 -3.6195 -3.5277 -3.5277 -3.1147 -3.1147 -2.9362 -2.9362 3.3394 3.3394 3.4358 3.4358 3.9822 3.9822 4.1523 4.1523 4.4788 4.4788 4.6985 4.6985 5.1537 5.1537 5.2964 5.2964 5.4638 5.4638 5.6420 5.6420 5.9545 5.9545 6.2108 6.2108 7.2007 7.2007 7.9386 7.9386 8.0271 8.0271 8.0412 8.0412 8.2951 8.2951 8.6247 8.6247 9.1044 9.1044 9.2019 9.2019 9.7311 9.7311 9.8131 9.8131 k = 0.1098 0.4349 0.5157 ( 8992 PWs) bands (ev): -3.5921 -3.5921 -3.4961 -3.4961 -3.1075 -3.1075 -2.9242 -2.9242 3.3822 3.3822 3.4633 3.4633 3.9827 3.9827 4.1113 4.1113 4.4603 4.4603 4.6518 4.6518 5.0769 5.0769 5.2524 5.2524 5.4328 5.4328 5.6142 5.6142 5.9132 5.9132 6.1979 6.1979 7.2450 7.2450 7.9441 7.9441 8.0171 8.0171 8.0275 8.0275 8.2580 8.2580 8.5837 8.5837 9.1100 9.1100 9.2232 9.2232 9.7635 9.7635 9.8256 9.8256 k = 0.1159 0.4591 0.5157 ( 8976 PWs) bands (ev): -3.5636 -3.5636 -3.4635 -3.4635 -3.1001 -3.1001 -2.9124 -2.9124 3.4251 3.4251 3.4886 3.4886 3.9760 3.9760 4.0725 4.0725 4.4321 4.4321 4.6112 4.6112 4.9993 4.9993 5.2192 5.2192 5.4057 5.4057 5.5871 5.5871 5.8727 5.8727 6.1856 6.1856 7.2902 7.2902 7.9344 7.9344 8.0059 8.0059 8.0231 8.0231 8.2269 8.2269 8.5398 8.5398 9.1214 9.1214 9.2351 9.2351 9.7918 9.7918 9.8506 9.8506 k = 0.1220 0.4833 0.5157 ( 8974 PWs) bands (ev): -3.5342 -3.5342 -3.4301 -3.4301 -3.0926 -3.0926 -2.9007 -2.9007 3.4667 3.4667 3.5108 3.5108 3.9601 3.9601 4.0381 4.0381 4.3920 4.3920 4.5804 4.5804 4.9281 4.9281 5.1924 5.1924 5.3811 5.3811 5.5608 5.5608 5.8334 5.8334 6.1736 6.1736 7.3361 7.3361 7.9153 7.9153 7.9788 7.9788 8.0376 8.0376 8.2014 8.2014 8.4944 8.4944 9.1385 9.1385 9.2357 9.2357 9.8225 9.8225 9.8834 9.8834 k = 0.1280 0.5074 0.5157 ( 8972 PWs) bands (ev): -3.5039 -3.5039 -3.3960 -3.3960 -3.0850 -3.0850 -2.8893 -2.8893 3.5022 3.5022 3.5319 3.5319 3.9342 3.9342 4.0099 4.0099 4.3424 4.3424 4.5579 4.5579 4.8683 4.8683 5.1694 5.1694 5.3585 5.3585 5.5356 5.5356 5.7954 5.7954 6.1617 6.1617 7.3819 7.3819 7.8933 7.8933 7.9470 7.9470 8.0554 8.0554 8.1800 8.1800 8.4484 8.4484 9.1604 9.1604 9.2258 9.2258 9.8592 9.8592 9.9198 9.9198 k = 0.1341 0.5316 0.5157 ( 8960 PWs) bands (ev): -3.4729 -3.4729 -3.3615 -3.3615 -3.0773 -3.0773 -2.8784 -2.8784 3.5193 3.5193 3.5600 3.5600 3.9008 3.9008 3.9877 3.9877 4.2887 4.2887 4.5394 4.5394 4.8232 4.8232 5.1484 5.1484 5.3376 5.3376 5.5117 5.5117 5.7589 5.7589 6.1497 6.1497 7.4271 7.4271 7.8707 7.8707 7.9126 7.9126 8.0740 8.0740 8.1616 8.1616 8.4027 8.4027 9.1809 9.1809 9.2130 9.2130 9.9004 9.9004 9.9595 9.9595 k = 0.1402 0.5558 0.5157 ( 8976 PWs) bands (ev): -3.4413 -3.4413 -3.3267 -3.3267 -3.0697 -3.0697 -2.8681 -2.8681 3.5177 3.5177 3.5903 3.5903 3.8636 3.8636 3.9717 3.9717 4.2359 4.2359 4.5214 4.5214 4.7942 4.7942 5.1285 5.1285 5.3183 5.3183 5.4893 5.4893 5.7243 5.7243 6.1373 6.1373 7.4710 7.4710 7.8483 7.8483 7.8776 7.8776 8.0919 8.0919 8.1455 8.1455 8.3581 8.3581 9.1684 9.1684 9.2306 9.2306 9.9413 9.9413 10.0046 10.0046 k = 0.1463 0.5799 0.5157 ( 8980 PWs) bands (ev): -3.4092 -3.4092 -3.2918 -3.2918 -3.0620 -3.0620 -2.8585 -2.8585 3.5017 3.5017 3.6129 3.6129 3.8256 3.8256 3.9634 3.9634 4.1881 4.1881 4.5030 4.5030 4.7803 4.7803 5.1089 5.1089 5.3006 5.3006 5.4685 5.4685 5.6918 5.6918 6.1240 6.1240 7.5130 7.5130 7.8263 7.8263 7.8436 7.8436 8.1074 8.1074 8.1320 8.1320 8.3156 8.3156 9.1371 9.1371 9.2660 9.2660 9.9780 9.9780 10.0564 10.0564 k = 0.1524 0.6041 0.5157 ( 8968 PWs) bands (ev): -3.3767 -3.3767 -3.2571 -3.2571 -3.0544 -3.0544 -2.8497 -2.8497 3.4723 3.4723 3.6214 3.6214 3.7902 3.7902 3.9642 3.9642 4.1491 4.1491 4.4851 4.4851 4.7787 4.7787 5.0894 5.0894 5.2844 5.2844 5.4496 5.4496 5.6616 5.6616 6.1095 6.1095 7.5520 7.5520 7.8027 7.8027 7.8137 7.8137 8.1121 8.1121 8.1280 8.1280 8.2773 8.2773 9.1008 9.1008 9.3063 9.3063 10.0101 10.0101 10.1134 10.1134 k = 0.1585 0.6282 0.5157 ( 8966 PWs) bands (ev): -3.3440 -3.3440 -3.2229 -3.2229 -3.0468 -3.0468 -2.8419 -2.8419 3.4309 3.4309 3.6123 3.6123 3.7591 3.7591 3.9729 3.9729 4.1224 4.1224 4.4694 4.4694 4.7861 4.7861 5.0696 5.0696 5.2697 5.2697 5.4326 5.4326 5.6340 5.6340 6.0934 6.0934 7.5869 7.5869 7.7749 7.7749 7.7918 7.7918 8.1041 8.1041 8.1313 8.1313 8.2476 8.2476 9.0618 9.0618 9.3496 9.3496 10.0387 10.0387 10.1729 10.1729 k = 0.1646 0.6524 0.5157 ( 8954 PWs) bands (ev): -3.3111 -3.3111 -3.1894 -3.1894 -3.0392 -3.0392 -2.8353 -2.8353 3.3801 3.3801 3.5883 3.5883 3.7302 3.7302 3.9851 3.9851 4.1114 4.1114 4.4574 4.4574 4.7994 4.7994 5.0496 5.0496 5.2565 5.2565 5.4176 5.4176 5.6093 5.6093 6.0754 6.0754 7.6162 7.6162 7.7482 7.7482 7.7741 7.7741 8.0964 8.0964 8.1226 8.1226 8.2336 8.2336 9.0212 9.0212 9.3951 9.3951 10.0643 10.0643 10.2329 10.2329 k = 0.1707 0.6766 0.5157 ( 8970 PWs) bands (ev): -3.2782 -3.2782 -3.1570 -3.1570 -3.0315 -3.0315 -2.8299 -2.8299 3.3228 3.3228 3.5562 3.5562 3.6993 3.6993 3.9953 3.9953 4.1177 4.1177 4.4501 4.4501 4.8164 4.8164 5.0294 5.0294 5.2447 5.2447 5.4049 5.4049 5.5876 5.5876 6.0551 6.0551 7.6366 7.6366 7.7272 7.7272 7.7589 7.7589 8.0903 8.0903 8.1005 8.1005 8.2363 8.2363 8.9800 8.9800 9.4419 9.4419 10.0872 10.0872 10.2922 10.2922 k = 0.1768 0.7007 0.5157 ( 8974 PWs) bands (ev): -3.2455 -3.2455 -3.1261 -3.1261 -3.0236 -3.0236 -2.8259 -2.8259 3.2618 3.2618 3.5215 3.5215 3.6647 3.6647 4.0010 4.0010 4.1384 4.1384 4.4483 4.4483 4.8353 4.8353 5.0094 5.0094 5.2344 5.2344 5.3943 5.3943 5.5690 5.5690 6.0322 6.0322 7.6431 7.6431 7.7165 7.7165 7.7463 7.7463 8.0665 8.0665 8.0922 8.0922 8.2482 8.2482 8.9386 8.9386 9.4893 9.4893 10.1072 10.1072 10.3500 10.3500 k = 0.1829 0.7249 0.5157 ( 8972 PWs) bands (ev): -3.2130 -3.2130 -3.0974 -3.0974 -3.0153 -3.0153 -2.8234 -2.8234 3.1996 3.1996 3.4869 3.4869 3.6274 3.6274 4.0033 4.0033 4.1667 4.1667 4.4525 4.4525 4.8546 4.8546 4.9900 4.9900 5.2253 5.2253 5.3861 5.3861 5.5538 5.5538 6.0065 6.0065 7.6349 7.6349 7.7159 7.7159 7.7375 7.7375 8.0336 8.0336 8.0944 8.0944 8.2642 8.2642 8.8975 8.8975 9.5365 9.5365 10.1238 10.1238 10.4061 10.4061 k = 0.1890 0.7491 0.5157 ( 8978 PWs) bands (ev): -3.1811 -3.1811 -3.0717 -3.0717 -3.0057 -3.0057 -2.8225 -2.8225 3.1382 3.1382 3.4542 3.4542 3.5890 3.5890 4.0036 4.0036 4.1971 4.1971 4.4631 4.4631 4.8724 4.8724 4.9723 4.9723 5.2175 5.2175 5.3804 5.3804 5.5417 5.5417 5.9780 5.9780 7.6200 7.6200 7.7152 7.7152 7.7350 7.7350 8.0005 8.0005 8.1003 8.1003 8.2822 8.2822 8.8569 8.8569 9.5829 9.5829 10.1361 10.1361 10.4602 10.4602 k = 0.1951 0.7732 0.5157 ( 8976 PWs) bands (ev): -3.1497 -3.1497 -3.0504 -3.0504 -2.9941 -2.9941 -2.8234 -2.8234 3.0792 3.0792 3.4239 3.4239 3.5507 3.5507 4.0025 4.0025 4.2259 4.2259 4.4801 4.4801 4.8854 4.8854 4.9591 4.9591 5.2109 5.2109 5.3776 5.3776 5.5327 5.5327 5.9467 5.9467 7.6038 7.6038 7.7113 7.7113 7.7371 7.7371 7.9684 7.9684 8.1089 8.1089 8.3013 8.3013 8.8171 8.8171 9.6278 9.6278 10.1433 10.1433 10.5118 10.5118 k = 0.2012 0.7974 0.5157 ( 8976 PWs) bands (ev): -3.1190 -3.1190 -3.0344 -3.0344 -2.9797 -2.9797 -2.8259 -2.8259 3.0239 3.0239 3.3967 3.3967 3.5138 3.5138 4.0004 4.0004 4.2512 4.2512 4.5030 4.5030 4.8883 4.8883 4.9553 4.9553 5.2053 5.2053 5.3778 5.3778 5.5266 5.5266 5.9127 5.9127 7.5886 7.5886 7.7077 7.7077 7.7392 7.7392 7.9378 7.9378 8.1193 8.1193 8.3213 8.3213 8.7783 8.7783 9.6708 9.6708 10.1448 10.1448 10.5531 10.5532 k = 0.2073 0.8215 0.5157 ( 8984 PWs) bands (ev): -3.0892 -3.0892 -3.0232 -3.0232 -2.9632 -2.9632 -2.8304 -2.8304 2.9732 2.9732 3.3729 3.3729 3.4791 3.4791 3.9974 3.9974 4.2722 4.2722 4.5304 4.5304 4.8794 4.8794 4.9619 4.9619 5.2007 5.2007 5.3815 5.3815 5.5232 5.5232 5.8763 5.8763 7.5749 7.5749 7.7057 7.7057 7.7400 7.7400 7.9088 7.9088 8.1307 8.1307 8.3421 8.3421 8.7406 8.7406 9.7111 9.7111 10.1405 10.1405 10.5624 10.5624 k = 0.2134 0.8457 0.5157 ( 8980 PWs) bands (ev): -3.0605 -3.0605 -3.0154 -3.0154 -2.9464 -2.9464 -2.8368 -2.8368 2.9279 2.9279 3.3527 3.3527 3.4471 3.4471 3.9940 3.9940 4.2892 4.2892 4.5607 4.5607 4.8642 4.8642 4.9732 4.9732 5.1968 5.1968 5.3888 5.3888 5.5223 5.5223 5.8380 5.8380 7.5630 7.5630 7.7058 7.7058 7.7397 7.7397 7.8816 7.8816 8.1420 8.1420 8.3635 8.3635 8.7041 8.7041 9.7484 9.7484 10.1315 10.1315 10.5709 10.5709 k = 0.2195 0.8699 0.5157 ( 8972 PWs) bands (ev): -3.0330 -3.0330 -3.0098 -3.0098 -2.9307 -2.9307 -2.8451 -2.8451 2.8886 2.8886 3.3363 3.3363 3.4184 3.4184 3.9905 3.9905 4.3027 4.3027 4.5921 4.5921 4.8466 4.8466 4.9850 4.9850 5.1937 5.1937 5.3995 5.3995 5.5238 5.5238 5.7982 5.7982 7.5531 7.5531 7.7078 7.7078 7.7388 7.7388 7.8564 7.8564 8.1526 8.1526 8.3858 8.3858 8.6690 8.6690 9.7820 9.7820 10.1191 10.1191 10.5828 10.5828 k = 0.2256 0.8940 0.5157 ( 8976 PWs) bands (ev): -3.0080 -3.0080 -3.0044 -3.0044 -2.9171 -2.9171 -2.8554 -2.8554 2.8558 2.8558 3.3238 3.3238 3.3934 3.3934 3.9872 3.9872 4.3131 4.3131 4.6231 4.6231 4.8281 4.8281 4.9956 4.9956 5.1911 5.1911 5.4129 5.4129 5.5281 5.5281 5.7577 5.7577 7.5450 7.5450 7.7116 7.7116 7.7381 7.7381 7.8331 7.8331 8.1618 8.1618 8.4089 8.4089 8.6352 8.6352 9.8116 9.8116 10.1052 10.1052 10.5966 10.5966 k = 0.2317 0.9182 0.5157 ( 9004 PWs) bands (ev): -3.0030 -3.0030 -2.9816 -2.9816 -2.9061 -2.9061 -2.8676 -2.8676 2.8299 2.8299 3.3151 3.3151 3.3726 3.3726 3.9844 3.9844 4.3208 4.3208 4.6525 4.6525 4.8092 4.8092 5.0042 5.0042 5.1890 5.1890 5.4275 5.4275 5.5359 5.5359 5.7175 5.7175 7.5389 7.5389 7.7166 7.7166 7.7384 7.7384 7.8117 7.8117 8.1694 8.1694 8.4328 8.4328 8.6028 8.6028 9.8364 9.8364 10.0914 10.0914 10.6100 10.6100 k = 0.2378 0.9424 0.5157 ( 9008 PWs) bands (ev): -3.0009 -3.0009 -2.9583 -2.9583 -2.8981 -2.8981 -2.8817 -2.8817 2.8112 2.8112 3.3099 3.3099 3.3565 3.3565 3.9822 3.9822 4.3262 4.3262 4.6791 4.6791 4.7905 4.7905 5.0106 5.0106 5.1875 5.1875 5.4408 5.4408 5.5484 5.5484 5.6790 5.6790 7.5345 7.5345 7.7211 7.7211 7.7415 7.7415 7.7925 7.7925 8.1750 8.1750 8.4576 8.4576 8.5719 8.5719 9.8554 9.8554 10.0796 10.0796 10.6213 10.6213 k = 0.2439 0.9665 0.5157 ( 8998 PWs) bands (ev): -2.9997 -2.9997 -2.9368 -2.9368 -2.8987 -2.8987 -2.8923 -2.8923 2.7999 2.7999 3.3076 3.3076 3.3459 3.3459 3.9808 3.9808 4.3294 4.3294 4.7010 4.7010 4.7735 4.7735 5.0144 5.0144 5.1866 5.1866 5.4498 5.4498 5.5655 5.5655 5.6453 5.6453 7.5319 7.5319 7.7235 7.7235 7.7490 7.7490 7.7756 7.7756 8.1784 8.1784 8.4830 8.4830 8.5429 8.5429 9.8675 9.8675 10.0716 10.0716 10.6287 10.6287 k = 0.2500 0.9907 0.5157 ( 9000 PWs) bands (ev): -2.9994 -2.9994 -2.9187 -2.9187 -2.9145 -2.9145 -2.8910 -2.8910 2.7962 2.7962 3.3071 3.3071 3.3420 3.3420 3.9804 3.9804 4.3305 4.3305 4.7112 4.7112 4.7651 4.7651 5.0157 5.0157 5.1863 5.1863 5.4530 5.4530 5.5776 5.5776 5.6275 5.6275 7.5310 7.5310 7.7241 7.7241 7.7578 7.7578 7.7639 7.7639 8.1795 8.1795 8.5025 8.5025 8.5222 8.5222 9.8715 9.8715 10.0691 10.0691 10.6312 10.6312 Writing output data file Zr5Te4.save init_run : 0.22s CPU 0.37s WALL ( 1 calls) electrons : 706.51s CPU 712.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 706.50s CPU 712.71s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 258 calls) cegterg : 662.85s CPU 667.89s WALL ( 961 calls) Called by sum_band: Called by *egterg: h_psi : 337.22s CPU 341.67s WALL ( 18362 calls) s_psi : 11.70s CPU 11.67s WALL ( 18362 calls) g_psi : 0.38s CPU 0.44s WALL ( 17143 calls) cdiaghg : 294.86s CPU 295.67s WALL ( 17401 calls) cegterg:over : 22.98s CPU 23.28s WALL ( 17143 calls) cegterg:upda : 16.46s CPU 16.16s WALL ( 17143 calls) cegterg:last : 7.57s CPU 7.65s WALL ( 2051 calls) cdiaghg:chol : 10.08s CPU 9.87s WALL ( 17401 calls) cdiaghg:inve : 4.96s CPU 5.14s WALL ( 17401 calls) cdiaghg:para : 18.42s CPU 18.91s WALL ( 34802 calls) Called by h_psi: h_psi:vloc : 303.35s CPU 307.59s WALL ( 18362 calls) h_psi:vnl : 33.45s CPU 33.68s WALL ( 18362 calls) add_vuspsi : 16.26s CPU 16.39s WALL ( 18362 calls) General routines calbec : 17.12s CPU 17.23s WALL ( 18362 calls) fft : 0.02s CPU 0.01s WALL ( 15 calls) fftw : 294.46s CPU 298.07s WALL ( 1335744 calls) davcio : 0.14s CPU 0.61s WALL ( 516 calls) Parallel routines fft_scatter : 187.97s CPU 190.80s WALL ( 1335759 calls) PWSCF : 12m25.16s CPU 12m51.94s WALL This run was terminated on: 10:17:13 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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