Program PWSCF v.5.1.1 starts on 18Jun2015 at 17: 0:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NiP2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 17 5 748 445 72 Max 25 18 6 756 457 75 Sum 1197 853 251 36183 21705 3521 bravais-lattice index = 14 lattice parameter (alat) = 8.0204 a.u. unit-cell volume = 590.8209 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.020444 celldm(2)= 1.000000 celldm(3)= 1.326871 celldm(4)= 0.369966 celldm(5)= 0.369966 celldm(6)= 0.124875 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.124875 0.992173 0.000000 ) a(3) = ( 0.490897 0.432986 1.154179 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.125860 -0.378105 ) b(2) = ( 0.000000 1.007889 -0.378105 ) b(3) = ( 0.000000 0.000000 0.866416 ) PseudoPot. # 1 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0088374 0.0077948 -0.0065859), wk = 0.0028409 k( 3) = ( 0.0176747 0.0155897 -0.0131717), wk = 0.0028409 k( 4) = ( 0.0265121 0.0233845 -0.0197576), wk = 0.0028409 k( 5) = ( 0.0353495 0.0311793 -0.0263434), wk = 0.0028409 k( 6) = ( 0.0441869 0.0389741 -0.0329293), wk = 0.0028409 k( 7) = ( 0.0530243 0.0467690 -0.0395151), wk = 0.0028409 k( 8) = ( 0.0618616 0.0545638 -0.0461010), wk = 0.0028409 k( 9) = ( 0.0706990 0.0623586 -0.0526868), wk = 0.0028409 k( 10) = ( 0.0795364 0.0701534 -0.0592727), wk = 0.0028409 k( 11) = ( 0.0883737 0.0779482 -0.0658585), wk = 0.0028409 k( 12) = ( 0.0972111 0.0857431 -0.0724444), wk = 0.0028409 k( 13) = ( 0.1060485 0.0935379 -0.0790303), wk = 0.0028409 k( 14) = ( 0.1148859 0.1013327 -0.0856161), wk = 0.0028409 k( 15) = ( 0.1237232 0.1091276 -0.0922020), wk = 0.0028409 k( 16) = ( 0.1325606 0.1169224 -0.0987878), wk = 0.0028409 k( 17) = ( 0.1413980 0.1247172 -0.1053737), wk = 0.0028409 k( 18) = ( 0.1502354 0.1325120 -0.1119595), wk = 0.0028409 k( 19) = ( 0.1590727 0.1403069 -0.1185454), wk = 0.0028409 k( 20) = ( 0.1679101 0.1481017 -0.1251312), wk = 0.0028409 k( 21) = ( 0.1767475 0.1558965 -0.1317171), wk = 0.0028409 k( 22) = ( 0.1855849 0.1636913 -0.1383030), wk = 0.0028409 k( 23) = ( 0.1944222 0.1714861 -0.1448888), wk = 0.0028409 k( 24) = ( 0.2032596 0.1792810 -0.1514747), wk = 0.0028409 k( 25) = ( 0.2120970 0.1870758 -0.1580605), wk = 0.0028409 k( 26) = ( 0.2209344 0.1948706 -0.1646464), wk = 0.0028409 k( 27) = ( 0.2297717 0.2026655 -0.1712322), wk = 0.0028409 k( 28) = ( 0.2386091 0.2104603 -0.1778181), wk = 0.0028409 k( 29) = ( 0.2474465 0.2182551 -0.1844039), wk = 0.0028409 k( 30) = ( 0.2562838 0.2260499 -0.1909898), wk = 0.0028409 k( 31) = ( 0.2651212 0.2338448 -0.1975757), wk = 0.0028409 k( 32) = ( 0.2739586 0.2416396 -0.2041615), wk = 0.0028409 k( 33) = ( 0.2827960 0.2494344 -0.2107474), wk = 0.0028409 k( 34) = ( 0.2916334 0.2572292 -0.2173332), wk = 0.0028409 k( 35) = ( 0.3004707 0.2650240 -0.2239191), wk = 0.0028409 k( 36) = ( 0.3093081 0.2728189 -0.2305049), wk = 0.0028409 k( 37) = ( 0.3181455 0.2806137 -0.2370908), wk = 0.0028409 k( 38) = ( 0.3269828 0.2884085 -0.2436766), wk = 0.0028409 k( 39) = ( 0.3358202 0.2962034 -0.2502625), wk = 0.0028409 k( 40) = ( 0.3446576 0.3039982 -0.2568484), wk = 0.0028409 k( 41) = ( 0.3534950 0.3117930 -0.2634342), wk = 0.0028409 k( 42) = ( 0.3623323 0.3195878 -0.2700201), wk = 0.0028409 k( 43) = ( 0.3711697 0.3273827 -0.2766059), wk = 0.0028409 k( 44) = ( 0.3800071 0.3351775 -0.2831918), wk = 0.0028409 k( 45) = ( 0.3888445 0.3429723 -0.2897776), wk = 0.0028409 k( 46) = ( 0.3976818 0.3507671 -0.2963635), wk = 0.0028409 k( 47) = ( 0.4065192 0.3585619 -0.3029493), wk = 0.0028409 k( 48) = ( 0.4153566 0.3663568 -0.3095352), wk = 0.0028409 k( 49) = ( 0.4241940 0.3741516 -0.3161210), wk = 0.0028409 k( 50) = ( 0.4330313 0.3819464 -0.3227069), wk = 0.0028409 k( 51) = ( 0.4418687 0.3897413 -0.3292928), wk = 0.0028409 k( 52) = ( 0.4507061 0.3975361 -0.3358786), wk = 0.0028409 k( 53) = ( 0.4595435 0.4053309 -0.3424645), wk = 0.0028409 k( 54) = ( 0.4683808 0.4131257 -0.3490503), wk = 0.0028409 k( 55) = ( 0.4772182 0.4209206 -0.3556362), wk = 0.0028409 k( 56) = ( 0.4860556 0.4287154 -0.3622220), wk = 0.0028409 k( 57) = ( 0.4948930 0.4365102 -0.3688079), wk = 0.0028409 k( 58) = ( 0.4948930 0.4365102 -0.3688079), wk = 0.0028409 k( 59) = ( 0.4994581 0.4405368 -0.3580745), wk = 0.0028409 k( 60) = ( 0.5040232 0.4445634 -0.3473411), wk = 0.0028409 k( 61) = ( 0.5085884 0.4485900 -0.3366077), wk = 0.0028409 k( 62) = ( 0.5131535 0.4526165 -0.3258744), wk = 0.0028409 k( 63) = ( 0.5177186 0.4566431 -0.3151410), wk = 0.0028409 k( 64) = ( 0.5222838 0.4606697 -0.3044076), wk = 0.0028409 k( 65) = ( 0.5222838 0.4606697 -0.3044076), wk = 0.0028409 k( 66) = ( 0.5214585 0.4599418 -0.2910924), wk = 0.0028409 k( 67) = ( 0.5206331 0.4592138 -0.2777772), wk = 0.0028409 k( 68) = ( 0.5198078 0.4584858 -0.2644620), wk = 0.0028409 k( 69) = ( 0.5189825 0.4577579 -0.2511468), wk = 0.0028409 k( 70) = ( 0.5181571 0.4570299 -0.2378316), wk = 0.0028409 k( 71) = ( 0.5173318 0.4563019 -0.2245164), wk = 0.0028409 k( 72) = ( 0.5165065 0.4555740 -0.2112012), wk = 0.0028409 k( 73) = ( 0.5156812 0.4548460 -0.1978860), wk = 0.0028409 k( 74) = ( 0.5148559 0.4541181 -0.1845708), wk = 0.0028409 k( 75) = ( 0.5140305 0.4533901 -0.1712556), wk = 0.0028409 k( 76) = ( 0.5132052 0.4526621 -0.1579404), wk = 0.0028409 k( 77) = ( 0.5123799 0.4519342 -0.1446252), wk = 0.0028409 k( 78) = ( 0.5115546 0.4512062 -0.1313100), wk = 0.0028409 k( 79) = ( 0.5107292 0.4504783 -0.1179948), wk = 0.0028409 k( 80) = ( 0.5099039 0.4497503 -0.1046796), wk = 0.0028409 k( 81) = ( 0.5090786 0.4490223 -0.0913644), wk = 0.0028409 k( 82) = ( 0.5082532 0.4482944 -0.0780492), wk = 0.0028409 k( 83) = ( 0.5074279 0.4475664 -0.0647340), wk = 0.0028409 k( 84) = ( 0.5066026 0.4468385 -0.0514188), wk = 0.0028409 k( 85) = ( 0.5057773 0.4461105 -0.0381036), wk = 0.0028409 k( 86) = ( 0.5049520 0.4453825 -0.0247884), wk = 0.0028409 k( 87) = ( 0.5041266 0.4446546 -0.0114732), wk = 0.0028409 k( 88) = ( 0.5033013 0.4439266 0.0018420), wk = 0.0028409 k( 89) = ( 0.5024760 0.4431986 0.0151572), wk = 0.0028409 k( 90) = ( 0.5016506 0.4424707 0.0284724), wk = 0.0028409 k( 91) = ( 0.5008253 0.4417427 0.0417876), wk = 0.0028409 k( 92) = ( 0.5000000 0.4410148 0.0551027), wk = 0.0028409 k( 93) = ( 0.5000000 0.4410148 0.0551027), wk = 0.0028409 k( 94) = ( 0.5085184 0.4313570 0.0551027), wk = 0.0028409 k( 95) = ( 0.5170368 0.4216993 0.0551027), wk = 0.0028409 k( 96) = ( 0.5255552 0.4120416 0.0551027), wk = 0.0028409 k( 97) = ( 0.5340736 0.4023838 0.0551027), wk = 0.0028409 k( 98) = ( 0.5425920 0.3927261 0.0551027), wk = 0.0028409 k( 99) = ( 0.5511104 0.3830684 0.0551027), wk = 0.0028409 k( 100) = ( 0.5596288 0.3734106 0.0551027), wk = 0.0028409 k( 101) = ( 0.5681472 0.3637529 0.0551027), wk = 0.0028409 k( 102) = ( 0.5766657 0.3540952 0.0551027), wk = 0.0028409 k( 103) = ( 0.5851841 0.3444374 0.0551027), wk = 0.0028409 k( 104) = ( 0.5937025 0.3347797 0.0551027), wk = 0.0028409 k( 105) = ( 0.6022209 0.3251220 0.0551027), wk = 0.0028409 k( 106) = ( 0.6107393 0.3154642 0.0551027), wk = 0.0028409 k( 107) = ( 0.6192577 0.3058065 0.0551027), wk = 0.0028409 k( 108) = ( 0.6277761 0.2961488 0.0551027), wk = 0.0028409 k( 109) = ( 0.6362945 0.2864910 0.0551027), wk = 0.0028409 k( 110) = ( 0.3637055 -0.4123507 0.4332082), wk = 0.0028409 k( 111) = ( 0.3548346 -0.4022934 0.4332082), wk = 0.0028409 k( 112) = ( 0.3459638 -0.3922360 0.4332082), wk = 0.0028409 k( 113) = ( 0.3370929 -0.3821787 0.4332082), wk = 0.0028409 k( 114) = ( 0.3282220 -0.3721214 0.4332082), wk = 0.0028409 k( 115) = ( 0.3193512 -0.3620640 0.4332082), wk = 0.0028409 k( 116) = ( 0.3104803 -0.3520067 0.4332082), wk = 0.0028409 k( 117) = ( 0.3016094 -0.3419494 0.4332082), wk = 0.0028409 k( 118) = ( 0.2927386 -0.3318920 0.4332082), wk = 0.0028409 k( 119) = ( 0.2838677 -0.3218347 0.4332082), wk = 0.0028409 k( 120) = ( 0.2749968 -0.3117774 0.4332082), wk = 0.0028409 k( 121) = ( 0.2661260 -0.3017200 0.4332082), wk = 0.0028409 k( 122) = ( 0.2572551 -0.2916627 0.4332082), wk = 0.0028409 k( 123) = ( 0.2483842 -0.2816054 0.4332082), wk = 0.0028409 k( 124) = ( 0.2395134 -0.2715480 0.4332082), wk = 0.0028409 k( 125) = ( 0.2306425 -0.2614907 0.4332082), wk = 0.0028409 k( 126) = ( 0.2217716 -0.2514333 0.4332082), wk = 0.0028409 k( 127) = ( 0.2129008 -0.2413760 0.4332082), wk = 0.0028409 k( 128) = ( 0.2040299 -0.2313187 0.4332082), wk = 0.0028409 k( 129) = ( 0.1951590 -0.2212613 0.4332082), wk = 0.0028409 k( 130) = ( 0.1862882 -0.2112040 0.4332082), wk = 0.0028409 k( 131) = ( 0.1774173 -0.2011467 0.4332082), wk = 0.0028409 k( 132) = ( 0.1685464 -0.1910894 0.4332082), wk = 0.0028409 k( 133) = ( 0.1596756 -0.1810320 0.4332082), wk = 0.0028409 k( 134) = ( 0.1508047 -0.1709747 0.4332082), wk = 0.0028409 k( 135) = ( 0.1419339 -0.1609173 0.4332082), wk = 0.0028409 k( 136) = ( 0.1330630 -0.1508600 0.4332082), wk = 0.0028409 k( 137) = ( 0.1241921 -0.1408027 0.4332082), wk = 0.0028409 k( 138) = ( 0.1153213 -0.1307453 0.4332082), wk = 0.0028409 k( 139) = ( 0.1064504 -0.1206880 0.4332082), wk = 0.0028409 k( 140) = ( 0.0975795 -0.1106307 0.4332082), wk = 0.0028409 k( 141) = ( 0.0887087 -0.1005733 0.4332082), wk = 0.0028409 k( 142) = ( 0.0798378 -0.0905160 0.4332082), wk = 0.0028409 k( 143) = ( 0.0709669 -0.0804587 0.4332082), wk = 0.0028409 k( 144) = ( 0.0620961 -0.0704013 0.4332082), wk = 0.0028409 k( 145) = ( 0.0532252 -0.0603440 0.4332082), wk = 0.0028409 k( 146) = ( 0.0443543 -0.0502867 0.4332082), wk = 0.0028409 k( 147) = ( 0.0354835 -0.0402293 0.4332082), wk = 0.0028409 k( 148) = ( 0.0266126 -0.0301720 0.4332082), wk = 0.0028409 k( 149) = ( 0.0177417 -0.0201147 0.4332082), wk = 0.0028409 k( 150) = ( 0.0088709 -0.0100573 0.4332082), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.4332082), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.4332082), wk = 0.0028409 k( 153) = ( 0.0099469 0.0087734 0.4332082), wk = 0.0028409 k( 154) = ( 0.0198937 0.0175468 0.4332082), wk = 0.0028409 k( 155) = ( 0.0298406 0.0263203 0.4332082), wk = 0.0028409 k( 156) = ( 0.0397874 0.0350937 0.4332082), wk = 0.0028409 k( 157) = ( 0.0497343 0.0438671 0.4332082), wk = 0.0028409 k( 158) = ( 0.0596811 0.0526405 0.4332082), wk = 0.0028409 k( 159) = ( 0.0696280 0.0614139 0.4332082), wk = 0.0028409 k( 160) = ( 0.0795748 0.0701874 0.4332082), wk = 0.0028409 k( 161) = ( 0.0895217 0.0789608 0.4332082), wk = 0.0028409 k( 162) = ( 0.0994685 0.0877342 0.4332082), wk = 0.0028409 k( 163) = ( 0.1094154 0.0965076 0.4332082), wk = 0.0028409 k( 164) = ( 0.1193623 0.1052810 0.4332082), wk = 0.0028409 k( 165) = ( 0.1293091 0.1140544 0.4332082), wk = 0.0028409 k( 166) = ( 0.1392560 0.1228279 0.4332082), wk = 0.0028409 k( 167) = ( 0.1492028 0.1316013 0.4332082), wk = 0.0028409 k( 168) = ( 0.1591497 0.1403747 0.4332082), wk = 0.0028409 k( 169) = ( 0.1690965 0.1491481 0.4332082), wk = 0.0028409 k( 170) = ( 0.1790434 0.1579215 0.4332082), wk = 0.0028409 k( 171) = ( 0.1889902 0.1666950 0.4332082), wk = 0.0028409 k( 172) = ( 0.1989371 0.1754684 0.4332082), wk = 0.0028409 k( 173) = ( 0.2088839 0.1842418 0.4332082), wk = 0.0028409 k( 174) = ( 0.2188308 0.1930152 0.4332082), wk = 0.0028409 k( 175) = ( 0.2287776 0.2017886 0.4332082), wk = 0.0028409 k( 176) = ( 0.2387245 0.2105621 0.4332082), wk = 0.0028409 k( 177) = ( 0.2486714 0.2193355 0.4332082), wk = 0.0028409 k( 178) = ( 0.2586182 0.2281089 0.4332082), wk = 0.0028409 k( 179) = ( 0.2685651 0.2368823 0.4332082), wk = 0.0028409 k( 180) = ( 0.2785119 0.2456557 0.4332082), wk = 0.0028409 k( 181) = ( 0.2884588 0.2544292 0.4332082), wk = 0.0028409 k( 182) = ( 0.2984056 0.2632026 0.4332082), wk = 0.0028409 k( 183) = ( 0.3083525 0.2719760 0.4332082), wk = 0.0028409 k( 184) = ( 0.3182993 0.2807494 0.4332082), wk = 0.0028409 k( 185) = ( 0.3282462 0.2895228 0.4332082), wk = 0.0028409 k( 186) = ( 0.3381930 0.2982962 0.4332082), wk = 0.0028409 k( 187) = ( 0.3481399 0.3070697 0.4332082), wk = 0.0028409 k( 188) = ( 0.3580868 0.3158431 0.4332082), wk = 0.0028409 k( 189) = ( 0.3680336 0.3246165 0.4332082), wk = 0.0028409 k( 190) = ( 0.3779805 0.3333899 0.4332082), wk = 0.0028409 k( 191) = ( 0.3879273 0.3421633 0.4332082), wk = 0.0028409 k( 192) = ( 0.3978742 0.3509368 0.4332082), wk = 0.0028409 k( 193) = ( 0.4078210 0.3597102 0.4332082), wk = 0.0028409 k( 194) = ( 0.4177679 0.3684836 0.4332082), wk = 0.0028409 k( 195) = ( 0.4277147 0.3772570 0.4332082), wk = 0.0028409 k( 196) = ( 0.4376616 0.3860304 0.4332082), wk = 0.0028409 k( 197) = ( 0.4476084 0.3948039 0.4332082), wk = 0.0028409 k( 198) = ( 0.4575553 0.4035773 0.4332082), wk = 0.0028409 k( 199) = ( 0.4675021 0.4123507 0.4332082), wk = 0.0028409 k( 200) = ( 0.4675021 0.4123507 0.4332082), wk = 0.0028409 k( 201) = ( 0.4726092 0.4168553 0.4239106), wk = 0.0028409 k( 202) = ( 0.4777162 0.4213598 0.4146131), wk = 0.0028409 k( 203) = ( 0.5324979 -0.5382104 0.0551027), wk = 0.0028409 k( 204) = ( 0.5279327 -0.5422370 0.0443694), wk = 0.0028409 k( 205) = ( 0.5233676 -0.5462635 0.0336360), wk = 0.0028409 k( 206) = ( 0.5188025 -0.5502901 0.0229026), wk = 0.0028409 k( 207) = ( 0.5142373 -0.5543167 0.0121692), wk = 0.0028409 k( 208) = ( 0.5096722 -0.5583433 0.0014358), wk = 0.0028409 k( 209) = ( 0.5051070 -0.5623699 -0.0092976), wk = 0.0028409 k( 210) = ( 0.5051070 -0.5623699 -0.0092976), wk = 0.0028409 k( 211) = ( 0.5000000 -0.5668744 0.0000000), wk = 0.0028409 k( 212) = ( 0.5000000 -0.5668744 0.0000000), wk = 0.0028409 k( 213) = ( 0.4910714 -0.5567517 0.0000000), wk = 0.0028409 k( 214) = ( 0.4821429 -0.5466289 0.0000000), wk = 0.0028409 k( 215) = ( 0.4732143 -0.5365062 0.0000000), wk = 0.0028409 k( 216) = ( 0.4642857 -0.5263834 0.0000000), wk = 0.0028409 k( 217) = ( 0.4553571 -0.5162607 0.0000000), wk = 0.0028409 k( 218) = ( 0.4464286 -0.5061379 0.0000000), wk = 0.0028409 k( 219) = ( 0.4375000 -0.4960151 0.0000000), wk = 0.0028409 k( 220) = ( 0.4285714 -0.4858924 0.0000000), wk = 0.0028409 k( 221) = ( 0.4196429 -0.4757696 0.0000000), wk = 0.0028409 k( 222) = ( 0.4107143 -0.4656469 0.0000000), wk = 0.0028409 k( 223) = ( 0.4017857 -0.4555241 0.0000000), wk = 0.0028409 k( 224) = ( 0.3928571 -0.4454013 0.0000000), wk = 0.0028409 k( 225) = ( 0.3839286 -0.4352786 0.0000000), wk = 0.0028409 k( 226) = ( 0.3750000 -0.4251558 0.0000000), wk = 0.0028409 k( 227) = ( 0.3660714 -0.4150331 0.0000000), wk = 0.0028409 k( 228) = ( 0.3571429 -0.4049103 0.0000000), wk = 0.0028409 k( 229) = ( 0.3482143 -0.3947876 0.0000000), wk = 0.0028409 k( 230) = ( 0.3392857 -0.3846648 0.0000000), wk = 0.0028409 k( 231) = ( 0.3303571 -0.3745420 0.0000000), wk = 0.0028409 k( 232) = ( 0.3214286 -0.3644193 0.0000000), wk = 0.0028409 k( 233) = ( 0.3125000 -0.3542965 0.0000000), wk = 0.0028409 k( 234) = ( 0.3035714 -0.3441738 0.0000000), wk = 0.0028409 k( 235) = ( 0.2946429 -0.3340510 0.0000000), wk = 0.0028409 k( 236) = ( 0.2857143 -0.3239283 0.0000000), wk = 0.0028409 k( 237) = ( 0.2767857 -0.3138055 0.0000000), wk = 0.0028409 k( 238) = ( 0.2678571 -0.3036827 0.0000000), wk = 0.0028409 k( 239) = ( 0.2589286 -0.2935600 0.0000000), wk = 0.0028409 k( 240) = ( 0.2500000 -0.2834372 0.0000000), wk = 0.0028409 k( 241) = ( 0.2410714 -0.2733145 0.0000000), wk = 0.0028409 k( 242) = ( 0.2321429 -0.2631917 0.0000000), wk = 0.0028409 k( 243) = ( 0.2232143 -0.2530690 0.0000000), wk = 0.0028409 k( 244) = ( 0.2142857 -0.2429462 0.0000000), wk = 0.0028409 k( 245) = ( 0.2053571 -0.2328234 0.0000000), wk = 0.0028409 k( 246) = ( 0.1964286 -0.2227007 0.0000000), wk = 0.0028409 k( 247) = ( 0.1875000 -0.2125779 0.0000000), wk = 0.0028409 k( 248) = ( 0.1785714 -0.2024552 0.0000000), wk = 0.0028409 k( 249) = ( 0.1696429 -0.1923324 0.0000000), wk = 0.0028409 k( 250) = ( 0.1607143 -0.1822096 0.0000000), wk = 0.0028409 k( 251) = ( 0.1517857 -0.1720869 0.0000000), wk = 0.0028409 k( 252) = ( 0.1428571 -0.1619641 0.0000000), wk = 0.0028409 k( 253) = ( 0.1339286 -0.1518414 0.0000000), wk = 0.0028409 k( 254) = ( 0.1250000 -0.1417186 0.0000000), wk = 0.0028409 k( 255) = ( 0.1160714 -0.1315959 0.0000000), wk = 0.0028409 k( 256) = ( 0.1071429 -0.1214731 0.0000000), wk = 0.0028409 k( 257) = ( 0.0982143 -0.1113503 0.0000000), wk = 0.0028409 k( 258) = ( 0.0892857 -0.1012276 0.0000000), wk = 0.0028409 k( 259) = ( 0.0803571 -0.0911048 0.0000000), wk = 0.0028409 k( 260) = ( 0.0714286 -0.0809821 0.0000000), wk = 0.0028409 k( 261) = ( 0.0625000 -0.0708593 0.0000000), wk = 0.0028409 k( 262) = ( 0.0535714 -0.0607365 0.0000000), wk = 0.0028409 k( 263) = ( 0.0446429 -0.0506138 0.0000000), wk = 0.0028409 k( 264) = ( 0.0357143 -0.0404910 0.0000000), wk = 0.0028409 k( 265) = ( 0.0267857 -0.0303683 0.0000000), wk = 0.0028409 k( 266) = ( 0.0178571 -0.0202455 0.0000000), wk = 0.0028409 k( 267) = ( 0.0089286 -0.0101228 0.0000000), wk = 0.0028409 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 270) = ( 0.0125000 -0.0015732 -0.0047263), wk = 0.0028409 k( 271) = ( 0.0250000 -0.0031465 -0.0094526), wk = 0.0028409 k( 272) = ( 0.0375000 -0.0047197 -0.0141790), wk = 0.0028409 k( 273) = ( 0.0500000 -0.0062930 -0.0189053), wk = 0.0028409 k( 274) = ( 0.0625000 -0.0078662 -0.0236316), wk = 0.0028409 k( 275) = ( 0.0750000 -0.0094395 -0.0283579), wk = 0.0028409 k( 276) = ( 0.0875000 -0.0110127 -0.0330842), wk = 0.0028409 k( 277) = ( 0.1000000 -0.0125860 -0.0378105), wk = 0.0028409 k( 278) = ( 0.1125000 -0.0141592 -0.0425369), wk = 0.0028409 k( 279) = ( 0.1250000 -0.0157325 -0.0472632), wk = 0.0028409 k( 280) = ( 0.1375000 -0.0173057 -0.0519895), wk = 0.0028409 k( 281) = ( 0.1500000 -0.0188790 -0.0567158), wk = 0.0028409 k( 282) = ( 0.1625000 -0.0204522 -0.0614421), wk = 0.0028409 k( 283) = ( 0.1750000 -0.0220254 -0.0661685), wk = 0.0028409 k( 284) = ( 0.1875000 -0.0235987 -0.0708948), wk = 0.0028409 k( 285) = ( 0.2000000 -0.0251719 -0.0756211), wk = 0.0028409 k( 286) = ( 0.2125000 -0.0267452 -0.0803474), wk = 0.0028409 k( 287) = ( 0.2250000 -0.0283184 -0.0850737), wk = 0.0028409 k( 288) = ( 0.2375000 -0.0298917 -0.0898000), wk = 0.0028409 k( 289) = ( 0.2500000 -0.0314649 -0.0945264), wk = 0.0028409 k( 290) = ( 0.2625000 -0.0330382 -0.0992527), wk = 0.0028409 k( 291) = ( 0.2750000 -0.0346114 -0.1039790), wk = 0.0028409 k( 292) = ( 0.2875000 -0.0361847 -0.1087053), wk = 0.0028409 k( 293) = ( 0.3000000 -0.0377579 -0.1134316), wk = 0.0028409 k( 294) = ( 0.3125000 -0.0393311 -0.1181580), wk = 0.0028409 k( 295) = ( 0.3250000 -0.0409044 -0.1228843), wk = 0.0028409 k( 296) = ( 0.3375000 -0.0424776 -0.1276106), wk = 0.0028409 k( 297) = ( 0.3500000 -0.0440509 -0.1323369), wk = 0.0028409 k( 298) = ( 0.3625000 -0.0456241 -0.1370632), wk = 0.0028409 k( 299) = ( 0.3750000 -0.0471974 -0.1417895), wk = 0.0028409 k( 300) = ( 0.3875000 -0.0487706 -0.1465159), wk = 0.0028409 k( 301) = ( 0.4000000 -0.0503439 -0.1512422), wk = 0.0028409 k( 302) = ( 0.4125000 -0.0519171 -0.1559685), wk = 0.0028409 k( 303) = ( 0.4250000 -0.0534904 -0.1606948), wk = 0.0028409 k( 304) = ( 0.4375000 -0.0550636 -0.1654211), wk = 0.0028409 k( 305) = ( 0.4500000 -0.0566369 -0.1701474), wk = 0.0028409 k( 306) = ( 0.4625000 -0.0582101 -0.1748738), wk = 0.0028409 k( 307) = ( 0.4750000 -0.0597833 -0.1796001), wk = 0.0028409 k( 308) = ( 0.4875000 -0.0613566 -0.1843264), wk = 0.0028409 k( 309) = ( 0.5000000 -0.0629298 -0.1890527), wk = 0.0028409 k( 310) = ( 0.5000000 -0.0629298 0.2441555), wk = 0.0028409 k( 311) = ( 0.4880952 -0.0614315 0.2383422), wk = 0.0028409 k( 312) = ( 0.4761905 -0.0599332 0.2325290), wk = 0.0028409 k( 313) = ( 0.4642857 -0.0584348 0.2267158), wk = 0.0028409 k( 314) = ( 0.4523810 -0.0569365 0.2209026), wk = 0.0028409 k( 315) = ( 0.4404762 -0.0554382 0.2150893), wk = 0.0028409 k( 316) = ( 0.4285714 -0.0539399 0.2092761), wk = 0.0028409 k( 317) = ( 0.4166667 -0.0524415 0.2034629), wk = 0.0028409 k( 318) = ( 0.4047619 -0.0509432 0.1976497), wk = 0.0028409 k( 319) = ( 0.3928571 -0.0494449 0.1918364), wk = 0.0028409 k( 320) = ( 0.3809524 -0.0479465 0.1860232), wk = 0.0028409 k( 321) = ( 0.3690476 -0.0464482 0.1802100), wk = 0.0028409 k( 322) = ( 0.3571429 -0.0449499 0.1743968), wk = 0.0028409 k( 323) = ( 0.3452381 -0.0434516 0.1685835), wk = 0.0028409 k( 324) = ( 0.3333333 -0.0419532 0.1627703), wk = 0.0028409 k( 325) = ( 0.3214286 -0.0404549 0.1569571), wk = 0.0028409 k( 326) = ( 0.3095238 -0.0389566 0.1511439), wk = 0.0028409 k( 327) = ( 0.2976190 -0.0374582 0.1453306), wk = 0.0028409 k( 328) = ( 0.2857143 -0.0359599 0.1395174), wk = 0.0028409 k( 329) = ( 0.2738095 -0.0344616 0.1337042), wk = 0.0028409 k( 330) = ( 0.2619048 -0.0329632 0.1278910), wk = 0.0028409 k( 331) = ( 0.2500000 -0.0314649 0.1220777), wk = 0.0028409 k( 332) = ( 0.2380952 -0.0299666 0.1162645), wk = 0.0028409 k( 333) = ( 0.2261905 -0.0284683 0.1104513), wk = 0.0028409 k( 334) = ( 0.2142857 -0.0269699 0.1046381), wk = 0.0028409 k( 335) = ( 0.2023810 -0.0254716 0.0988248), wk = 0.0028409 k( 336) = ( 0.1904762 -0.0239733 0.0930116), wk = 0.0028409 k( 337) = ( 0.1785714 -0.0224749 0.0871984), wk = 0.0028409 k( 338) = ( 0.1666667 -0.0209766 0.0813852), wk = 0.0028409 k( 339) = ( 0.1547619 -0.0194783 0.0755719), wk = 0.0028409 k( 340) = ( 0.1428571 -0.0179800 0.0697587), wk = 0.0028409 k( 341) = ( 0.1309524 -0.0164816 0.0639455), wk = 0.0028409 k( 342) = ( 0.1190476 -0.0149833 0.0581323), wk = 0.0028409 k( 343) = ( 0.1071429 -0.0134850 0.0523190), wk = 0.0028409 k( 344) = ( 0.0952381 -0.0119866 0.0465058), wk = 0.0028409 k( 345) = ( 0.0833333 -0.0104883 0.0406926), wk = 0.0028409 k( 346) = ( 0.0714286 -0.0089900 0.0348794), wk = 0.0028409 k( 347) = ( 0.0595238 -0.0074916 0.0290661), wk = 0.0028409 k( 348) = ( 0.0476191 -0.0059933 0.0232529), wk = 0.0028409 k( 349) = ( 0.0357143 -0.0044950 0.0174397), wk = 0.0028409 k( 350) = ( 0.0238095 -0.0029967 0.0116264), wk = 0.0028409 k( 351) = ( 0.0119048 -0.0014983 0.0058132), wk = 0.0028409 k( 352) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0088374 0.0088374 0.0001120), wk = 0.0028409 k( 3) = ( 0.0176747 0.0176748 0.0002241), wk = 0.0028409 k( 4) = ( 0.0265121 0.0265121 0.0003361), wk = 0.0028409 k( 5) = ( 0.0353495 0.0353495 0.0004481), wk = 0.0028409 k( 6) = ( 0.0441869 0.0441869 0.0005601), wk = 0.0028409 k( 7) = ( 0.0530243 0.0530243 0.0006722), wk = 0.0028409 k( 8) = ( 0.0618616 0.0618616 0.0007842), wk = 0.0028409 k( 9) = ( 0.0706990 0.0706990 0.0008962), wk = 0.0028409 k( 10) = ( 0.0795364 0.0795364 0.0010083), wk = 0.0028409 k( 11) = ( 0.0883737 0.0883737 0.0011203), wk = 0.0028409 k( 12) = ( 0.0972111 0.0972111 0.0012323), wk = 0.0028409 k( 13) = ( 0.1060485 0.1060485 0.0013443), wk = 0.0028409 k( 14) = ( 0.1148859 0.1148859 0.0014564), wk = 0.0028409 k( 15) = ( 0.1237232 0.1237232 0.0015684), wk = 0.0028409 k( 16) = ( 0.1325606 0.1325606 0.0016804), wk = 0.0028409 k( 17) = ( 0.1413980 0.1413980 0.0017925), wk = 0.0028409 k( 18) = ( 0.1502354 0.1502354 0.0019045), wk = 0.0028409 k( 19) = ( 0.1590727 0.1590727 0.0020165), wk = 0.0028409 k( 20) = ( 0.1679101 0.1679101 0.0021286), wk = 0.0028409 k( 21) = ( 0.1767475 0.1767475 0.0022406), wk = 0.0028409 k( 22) = ( 0.1855849 0.1855849 0.0023526), wk = 0.0028409 k( 23) = ( 0.1944222 0.1944222 0.0024646), wk = 0.0028409 k( 24) = ( 0.2032596 0.2032596 0.0025767), wk = 0.0028409 k( 25) = ( 0.2120970 0.2120970 0.0026887), wk = 0.0028409 k( 26) = ( 0.2209344 0.2209344 0.0028007), wk = 0.0028409 k( 27) = ( 0.2297717 0.2297717 0.0029127), wk = 0.0028409 k( 28) = ( 0.2386091 0.2386091 0.0030248), wk = 0.0028409 k( 29) = ( 0.2474465 0.2474465 0.0031368), wk = 0.0028409 k( 30) = ( 0.2562838 0.2562839 0.0032488), wk = 0.0028409 k( 31) = ( 0.2651212 0.2651212 0.0033609), wk = 0.0028409 k( 32) = ( 0.2739586 0.2739586 0.0034729), wk = 0.0028409 k( 33) = ( 0.2827960 0.2827960 0.0035849), wk = 0.0028409 k( 34) = ( 0.2916334 0.2916334 0.0036969), wk = 0.0028409 k( 35) = ( 0.3004707 0.3004707 0.0038090), wk = 0.0028409 k( 36) = ( 0.3093081 0.3093081 0.0039210), wk = 0.0028409 k( 37) = ( 0.3181455 0.3181455 0.0040330), wk = 0.0028409 k( 38) = ( 0.3269828 0.3269829 0.0041451), wk = 0.0028409 k( 39) = ( 0.3358202 0.3358202 0.0042571), wk = 0.0028409 k( 40) = ( 0.3446576 0.3446576 0.0043691), wk = 0.0028409 k( 41) = ( 0.3534950 0.3534950 0.0044811), wk = 0.0028409 k( 42) = ( 0.3623323 0.3623323 0.0045932), wk = 0.0028409 k( 43) = ( 0.3711697 0.3711697 0.0047052), wk = 0.0028409 k( 44) = ( 0.3800071 0.3800071 0.0048172), wk = 0.0028409 k( 45) = ( 0.3888445 0.3888445 0.0049293), wk = 0.0028409 k( 46) = ( 0.3976818 0.3976818 0.0050413), wk = 0.0028409 k( 47) = ( 0.4065192 0.4065192 0.0051533), wk = 0.0028409 k( 48) = ( 0.4153566 0.4153566 0.0052654), wk = 0.0028409 k( 49) = ( 0.4241940 0.4241940 0.0053774), wk = 0.0028409 k( 50) = ( 0.4330313 0.4330313 0.0054894), wk = 0.0028409 k( 51) = ( 0.4418687 0.4418687 0.0056014), wk = 0.0028409 k( 52) = ( 0.4507061 0.4507061 0.0057135), wk = 0.0028409 k( 53) = ( 0.4595435 0.4595435 0.0058255), wk = 0.0028409 k( 54) = ( 0.4683808 0.4683808 0.0059375), wk = 0.0028409 k( 55) = ( 0.4772182 0.4772182 0.0060496), wk = 0.0028409 k( 56) = ( 0.4860556 0.4860556 0.0061616), wk = 0.0028409 k( 57) = ( 0.4948930 0.4948930 0.0062736), wk = 0.0028409 k( 58) = ( 0.4948930 0.4948930 0.0062736), wk = 0.0028409 k( 59) = ( 0.4994581 0.4994581 0.0226463), wk = 0.0028409 k( 60) = ( 0.5040232 0.5040232 0.0390190), wk = 0.0028409 k( 61) = ( 0.5085884 0.5085884 0.0553918), wk = 0.0028409 k( 62) = ( 0.5131535 0.5131535 0.0717645), wk = 0.0028409 k( 63) = ( 0.5177186 0.5177186 0.0881372), wk = 0.0028409 k( 64) = ( 0.5222838 0.5222838 0.1045099), wk = 0.0028409 k( 65) = ( 0.5222838 0.5222838 0.1045099), wk = 0.0028409 k( 66) = ( 0.5214585 0.5214585 0.1191577), wk = 0.0028409 k( 67) = ( 0.5206331 0.5206331 0.1338055), wk = 0.0028409 k( 68) = ( 0.5198078 0.5198078 0.1484533), wk = 0.0028409 k( 69) = ( 0.5189825 0.5189825 0.1631010), wk = 0.0028409 k( 70) = ( 0.5181571 0.5181572 0.1777488), wk = 0.0028409 k( 71) = ( 0.5173318 0.5173318 0.1923966), wk = 0.0028409 k( 72) = ( 0.5165065 0.5165065 0.2070444), wk = 0.0028409 k( 73) = ( 0.5156812 0.5156812 0.2216921), wk = 0.0028409 k( 74) = ( 0.5148559 0.5148559 0.2363399), wk = 0.0028409 k( 75) = ( 0.5140305 0.5140305 0.2509877), wk = 0.0028409 k( 76) = ( 0.5132052 0.5132052 0.2656355), wk = 0.0028409 k( 77) = ( 0.5123799 0.5123799 0.2802833), wk = 0.0028409 k( 78) = ( 0.5115546 0.5115546 0.2949311), wk = 0.0028409 k( 79) = ( 0.5107292 0.5107292 0.3095788), wk = 0.0028409 k( 80) = ( 0.5099039 0.5099039 0.3242266), wk = 0.0028409 k( 81) = ( 0.5090786 0.5090786 0.3388744), wk = 0.0028409 k( 82) = ( 0.5082532 0.5082533 0.3535222), wk = 0.0028409 k( 83) = ( 0.5074279 0.5074279 0.3681700), wk = 0.0028409 k( 84) = ( 0.5066026 0.5066026 0.3828177), wk = 0.0028409 k( 85) = ( 0.5057773 0.5057773 0.3974655), wk = 0.0028409 k( 86) = ( 0.5049520 0.5049520 0.4121133), wk = 0.0028409 k( 87) = ( 0.5041266 0.5041266 0.4267611), wk = 0.0028409 k( 88) = ( 0.5033013 0.5033013 0.4414089), wk = 0.0028409 k( 89) = ( 0.5024760 0.5024760 0.4560567), wk = 0.0028409 k( 90) = ( 0.5016506 0.5016506 0.4707044), wk = 0.0028409 k( 91) = ( 0.5008253 0.5008253 0.4853522), wk = 0.0028409 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 94) = ( 0.5085184 0.4914816 0.5000000), wk = 0.0028409 k( 95) = ( 0.5170368 0.4829632 0.5000000), wk = 0.0028409 k( 96) = ( 0.5255552 0.4744448 0.5000000), wk = 0.0028409 k( 97) = ( 0.5340736 0.4659264 0.5000000), wk = 0.0028409 k( 98) = ( 0.5425920 0.4574080 0.5000000), wk = 0.0028409 k( 99) = ( 0.5511104 0.4488896 0.5000000), wk = 0.0028409 k( 100) = ( 0.5596288 0.4403712 0.5000000), wk = 0.0028409 k( 101) = ( 0.5681472 0.4318528 0.5000000), wk = 0.0028409 k( 102) = ( 0.5766657 0.4233343 0.5000000), wk = 0.0028409 k( 103) = ( 0.5851841 0.4148159 0.5000000), wk = 0.0028409 k( 104) = ( 0.5937025 0.4062975 0.5000000), wk = 0.0028409 k( 105) = ( 0.6022209 0.3977791 0.5000000), wk = 0.0028409 k( 106) = ( 0.6107393 0.3892607 0.5000000), wk = 0.0028409 k( 107) = ( 0.6192577 0.3807423 0.5000000), wk = 0.0028409 k( 108) = ( 0.6277761 0.3722239 0.5000000), wk = 0.0028409 k( 109) = ( 0.6362945 0.3637055 0.5000000), wk = 0.0028409 k( 110) = ( 0.3637055 -0.3637055 0.5000000), wk = 0.0028409 k( 111) = ( 0.3548346 -0.3548346 0.5000000), wk = 0.0028409 k( 112) = ( 0.3459638 -0.3459638 0.5000000), wk = 0.0028409 k( 113) = ( 0.3370929 -0.3370929 0.5000000), wk = 0.0028409 k( 114) = ( 0.3282220 -0.3282220 0.5000000), wk = 0.0028409 k( 115) = ( 0.3193512 -0.3193512 0.5000000), wk = 0.0028409 k( 116) = ( 0.3104803 -0.3104803 0.5000000), wk = 0.0028409 k( 117) = ( 0.3016094 -0.3016094 0.5000000), wk = 0.0028409 k( 118) = ( 0.2927386 -0.2927386 0.5000000), wk = 0.0028409 k( 119) = ( 0.2838677 -0.2838677 0.5000000), wk = 0.0028409 k( 120) = ( 0.2749968 -0.2749968 0.5000000), wk = 0.0028409 k( 121) = ( 0.2661260 -0.2661260 0.5000000), wk = 0.0028409 k( 122) = ( 0.2572551 -0.2572551 0.5000000), wk = 0.0028409 k( 123) = ( 0.2483842 -0.2483842 0.5000000), wk = 0.0028409 k( 124) = ( 0.2395134 -0.2395134 0.5000000), wk = 0.0028409 k( 125) = ( 0.2306425 -0.2306425 0.5000000), wk = 0.0028409 k( 126) = ( 0.2217716 -0.2217716 0.5000000), wk = 0.0028409 k( 127) = ( 0.2129008 -0.2129008 0.5000000), wk = 0.0028409 k( 128) = ( 0.2040299 -0.2040299 0.5000000), wk = 0.0028409 k( 129) = ( 0.1951590 -0.1951590 0.5000000), wk = 0.0028409 k( 130) = ( 0.1862882 -0.1862882 0.5000000), wk = 0.0028409 k( 131) = ( 0.1774173 -0.1774173 0.5000000), wk = 0.0028409 k( 132) = ( 0.1685464 -0.1685465 0.5000000), wk = 0.0028409 k( 133) = ( 0.1596756 -0.1596756 0.5000000), wk = 0.0028409 k( 134) = ( 0.1508047 -0.1508047 0.5000000), wk = 0.0028409 k( 135) = ( 0.1419339 -0.1419339 0.5000000), wk = 0.0028409 k( 136) = ( 0.1330630 -0.1330630 0.5000000), wk = 0.0028409 k( 137) = ( 0.1241921 -0.1241921 0.5000000), wk = 0.0028409 k( 138) = ( 0.1153213 -0.1153213 0.5000000), wk = 0.0028409 k( 139) = ( 0.1064504 -0.1064504 0.5000000), wk = 0.0028409 k( 140) = ( 0.0975795 -0.0975795 0.5000000), wk = 0.0028409 k( 141) = ( 0.0887087 -0.0887087 0.5000000), wk = 0.0028409 k( 142) = ( 0.0798378 -0.0798378 0.5000000), wk = 0.0028409 k( 143) = ( 0.0709669 -0.0709669 0.5000000), wk = 0.0028409 k( 144) = ( 0.0620961 -0.0620961 0.5000000), wk = 0.0028409 k( 145) = ( 0.0532252 -0.0532252 0.5000000), wk = 0.0028409 k( 146) = ( 0.0443543 -0.0443543 0.5000000), wk = 0.0028409 k( 147) = ( 0.0354835 -0.0354835 0.5000000), wk = 0.0028409 k( 148) = ( 0.0266126 -0.0266126 0.5000000), wk = 0.0028409 k( 149) = ( 0.0177417 -0.0177417 0.5000000), wk = 0.0028409 k( 150) = ( 0.0088709 -0.0088709 0.5000000), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 153) = ( 0.0099469 0.0099469 0.5086816), wk = 0.0028409 k( 154) = ( 0.0198937 0.0198937 0.5173633), wk = 0.0028409 k( 155) = ( 0.0298406 0.0298406 0.5260449), wk = 0.0028409 k( 156) = ( 0.0397874 0.0397874 0.5347266), wk = 0.0028409 k( 157) = ( 0.0497343 0.0497343 0.5434082), wk = 0.0028409 k( 158) = ( 0.0596811 0.0596811 0.5520899), wk = 0.0028409 k( 159) = ( 0.0696280 0.0696280 0.5607715), wk = 0.0028409 k( 160) = ( 0.0795748 0.0795748 0.5694532), wk = 0.0028409 k( 161) = ( 0.0895217 0.0895217 0.5781348), wk = 0.0028409 k( 162) = ( 0.0994685 0.0994685 0.5868165), wk = 0.0028409 k( 163) = ( 0.1094154 0.1094154 0.5954981), wk = 0.0028409 k( 164) = ( 0.1193623 0.1193623 0.6041797), wk = 0.0028409 k( 165) = ( 0.1293091 0.1293091 0.6128614), wk = 0.0028409 k( 166) = ( 0.1392560 0.1392560 0.6215430), wk = 0.0028409 k( 167) = ( 0.1492028 0.1492028 0.6302247), wk = 0.0028409 k( 168) = ( 0.1591497 0.1591497 0.6389063), wk = 0.0028409 k( 169) = ( 0.1690965 0.1690965 0.6475880), wk = 0.0028409 k( 170) = ( 0.1790434 0.1790434 0.6562696), wk = 0.0028409 k( 171) = ( 0.1889902 0.1889902 0.6649513), wk = 0.0028409 k( 172) = ( 0.1989371 0.1989371 0.6736329), wk = 0.0028409 k( 173) = ( 0.2088839 0.2088839 0.6823145), wk = 0.0028409 k( 174) = ( 0.2188308 0.2188308 0.6909962), wk = 0.0028409 k( 175) = ( 0.2287776 0.2287777 0.6996778), wk = 0.0028409 k( 176) = ( 0.2387245 0.2387245 0.7083595), wk = 0.0028409 k( 177) = ( 0.2486714 0.2486714 0.7170411), wk = 0.0028409 k( 178) = ( 0.2586182 0.2586182 0.7257228), wk = 0.0028409 k( 179) = ( 0.2685651 0.2685651 0.7344044), wk = 0.0028409 k( 180) = ( 0.2785119 0.2785119 0.7430861), wk = 0.0028409 k( 181) = ( 0.2884588 0.2884588 0.7517677), wk = 0.0028409 k( 182) = ( 0.2984056 0.2984056 0.7604494), wk = 0.0028409 k( 183) = ( 0.3083525 0.3083525 0.7691310), wk = 0.0028409 k( 184) = ( 0.3182993 0.3182993 0.7778126), wk = 0.0028409 k( 185) = ( 0.3282462 0.3282462 0.7864943), wk = 0.0028409 k( 186) = ( 0.3381930 0.3381930 0.7951759), wk = 0.0028409 k( 187) = ( 0.3481399 0.3481399 0.8038576), wk = 0.0028409 k( 188) = ( 0.3580868 0.3580868 0.8125392), wk = 0.0028409 k( 189) = ( 0.3680336 0.3680336 0.8212209), wk = 0.0028409 k( 190) = ( 0.3779805 0.3779805 0.8299025), wk = 0.0028409 k( 191) = ( 0.3879273 0.3879273 0.8385842), wk = 0.0028409 k( 192) = ( 0.3978742 0.3978742 0.8472658), wk = 0.0028409 k( 193) = ( 0.4078210 0.4078210 0.8559475), wk = 0.0028409 k( 194) = ( 0.4177679 0.4177679 0.8646291), wk = 0.0028409 k( 195) = ( 0.4277147 0.4277147 0.8733107), wk = 0.0028409 k( 196) = ( 0.4376616 0.4376616 0.8819924), wk = 0.0028409 k( 197) = ( 0.4476084 0.4476084 0.8906740), wk = 0.0028409 k( 198) = ( 0.4575553 0.4575553 0.8993557), wk = 0.0028409 k( 199) = ( 0.4675021 0.4675021 0.9080373), wk = 0.0028409 k( 200) = ( 0.4675021 0.4675021 0.9080373), wk = 0.0028409 k( 201) = ( 0.4726092 0.4726092 0.9017637), wk = 0.0028409 k( 202) = ( 0.4777162 0.4777162 0.8954901), wk = 0.0028409 k( 203) = ( 0.5324979 -0.4675021 0.0919627), wk = 0.0028409 k( 204) = ( 0.5279327 -0.4720673 0.0755900), wk = 0.0028409 k( 205) = ( 0.5233676 -0.4766324 0.0592172), wk = 0.0028409 k( 206) = ( 0.5188025 -0.4811976 0.0428445), wk = 0.0028409 k( 207) = ( 0.5142373 -0.4857627 0.0264718), wk = 0.0028409 k( 208) = ( 0.5096722 -0.4903278 0.0100991), wk = 0.0028409 k( 209) = ( 0.5051070 -0.4948930 -0.0062736), wk = 0.0028409 k( 210) = ( 0.5051070 -0.4948930 -0.0062736), wk = 0.0028409 k( 211) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0028409 k( 212) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0028409 k( 213) = ( 0.4910714 -0.4910714 -0.0000000), wk = 0.0028409 k( 214) = ( 0.4821429 -0.4821429 -0.0000000), wk = 0.0028409 k( 215) = ( 0.4732143 -0.4732143 0.0000000), wk = 0.0028409 k( 216) = ( 0.4642857 -0.4642857 -0.0000000), wk = 0.0028409 k( 217) = ( 0.4553571 -0.4553571 -0.0000000), wk = 0.0028409 k( 218) = ( 0.4464286 -0.4464286 0.0000000), wk = 0.0028409 k( 219) = ( 0.4375000 -0.4375000 -0.0000000), wk = 0.0028409 k( 220) = ( 0.4285714 -0.4285714 -0.0000000), wk = 0.0028409 k( 221) = ( 0.4196429 -0.4196429 -0.0000000), wk = 0.0028409 k( 222) = ( 0.4107143 -0.4107143 -0.0000000), wk = 0.0028409 k( 223) = ( 0.4017857 -0.4017857 -0.0000000), wk = 0.0028409 k( 224) = ( 0.3928571 -0.3928571 -0.0000000), wk = 0.0028409 k( 225) = ( 0.3839286 -0.3839286 -0.0000000), wk = 0.0028409 k( 226) = ( 0.3750000 -0.3750000 0.0000000), wk = 0.0028409 k( 227) = ( 0.3660714 -0.3660714 -0.0000000), wk = 0.0028409 k( 228) = ( 0.3571429 -0.3571429 -0.0000000), wk = 0.0028409 k( 229) = ( 0.3482143 -0.3482143 -0.0000000), wk = 0.0028409 k( 230) = ( 0.3392857 -0.3392857 -0.0000000), wk = 0.0028409 k( 231) = ( 0.3303571 -0.3303571 0.0000000), wk = 0.0028409 k( 232) = ( 0.3214286 -0.3214286 -0.0000000), wk = 0.0028409 k( 233) = ( 0.3125000 -0.3125000 -0.0000000), wk = 0.0028409 k( 234) = ( 0.3035714 -0.3035714 -0.0000000), wk = 0.0028409 k( 235) = ( 0.2946429 -0.2946429 -0.0000000), wk = 0.0028409 k( 236) = ( 0.2857143 -0.2857143 -0.0000000), wk = 0.0028409 k( 237) = ( 0.2767857 -0.2767857 -0.0000000), wk = 0.0028409 k( 238) = ( 0.2678571 -0.2678571 0.0000000), wk = 0.0028409 k( 239) = ( 0.2589286 -0.2589286 -0.0000000), wk = 0.0028409 k( 240) = ( 0.2500000 -0.2500000 -0.0000000), wk = 0.0028409 k( 241) = ( 0.2410714 -0.2410714 -0.0000000), wk = 0.0028409 k( 242) = ( 0.2321429 -0.2321429 -0.0000000), wk = 0.0028409 k( 243) = ( 0.2232143 -0.2232143 -0.0000000), wk = 0.0028409 k( 244) = ( 0.2142857 -0.2142857 -0.0000000), wk = 0.0028409 k( 245) = ( 0.2053571 -0.2053571 -0.0000000), wk = 0.0028409 k( 246) = ( 0.1964286 -0.1964286 -0.0000000), wk = 0.0028409 k( 247) = ( 0.1875000 -0.1875000 0.0000000), wk = 0.0028409 k( 248) = ( 0.1785714 -0.1785714 -0.0000000), wk = 0.0028409 k( 249) = ( 0.1696429 -0.1696429 -0.0000000), wk = 0.0028409 k( 250) = ( 0.1607143 -0.1607143 -0.0000000), wk = 0.0028409 k( 251) = ( 0.1517857 -0.1517857 0.0000000), wk = 0.0028409 k( 252) = ( 0.1428571 -0.1428571 -0.0000000), wk = 0.0028409 k( 253) = ( 0.1339286 -0.1339286 0.0000000), wk = 0.0028409 k( 254) = ( 0.1250000 -0.1250000 -0.0000000), wk = 0.0028409 k( 255) = ( 0.1160714 -0.1160714 -0.0000000), wk = 0.0028409 k( 256) = ( 0.1071429 -0.1071429 -0.0000000), wk = 0.0028409 k( 257) = ( 0.0982143 -0.0982143 -0.0000000), wk = 0.0028409 k( 258) = ( 0.0892857 -0.0892857 -0.0000000), wk = 0.0028409 k( 259) = ( 0.0803571 -0.0803571 -0.0000000), wk = 0.0028409 k( 260) = ( 0.0714286 -0.0714286 -0.0000000), wk = 0.0028409 k( 261) = ( 0.0625000 -0.0625000 -0.0000000), wk = 0.0028409 k( 262) = ( 0.0535714 -0.0535714 -0.0000000), wk = 0.0028409 k( 263) = ( 0.0446429 -0.0446429 -0.0000000), wk = 0.0028409 k( 264) = ( 0.0357143 -0.0357143 -0.0000000), wk = 0.0028409 k( 265) = ( 0.0267857 -0.0267857 -0.0000000), wk = 0.0028409 k( 266) = ( 0.0178571 -0.0178571 -0.0000000), wk = 0.0028409 k( 267) = ( 0.0089286 -0.0089286 -0.0000000), wk = 0.0028409 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 270) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0028409 k( 271) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0028409 k( 272) = ( 0.0375000 -0.0000000 0.0000000), wk = 0.0028409 k( 273) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0028409 k( 274) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0028409 k( 275) = ( 0.0750000 -0.0000000 0.0000000), wk = 0.0028409 k( 276) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0028409 k( 277) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0028409 k( 278) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0028409 k( 279) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0028409 k( 280) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0028409 k( 281) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0028409 k( 282) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0028409 k( 283) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0028409 k( 284) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0028409 k( 285) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0028409 k( 286) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0028409 k( 287) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0028409 k( 288) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0028409 k( 289) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0028409 k( 290) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0028409 k( 291) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0028409 k( 292) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0028409 k( 293) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0028409 k( 294) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0028409 k( 295) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0028409 k( 296) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0028409 k( 297) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0028409 k( 298) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0028409 k( 299) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0028409 k( 300) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0028409 k( 301) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0028409 k( 302) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0028409 k( 303) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0028409 k( 304) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0028409 k( 305) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0028409 k( 306) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0028409 k( 307) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0028409 k( 308) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0028409 k( 309) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028409 k( 310) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028409 k( 311) = ( 0.4880952 -0.0000000 0.4880952), wk = 0.0028409 k( 312) = ( 0.4761905 -0.0000000 0.4761905), wk = 0.0028409 k( 313) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0028409 k( 314) = ( 0.4523810 -0.0000000 0.4523810), wk = 0.0028409 k( 315) = ( 0.4404762 -0.0000000 0.4404762), wk = 0.0028409 k( 316) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0028409 k( 317) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0028409 k( 318) = ( 0.4047619 -0.0000000 0.4047619), wk = 0.0028409 k( 319) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0028409 k( 320) = ( 0.3809524 -0.0000000 0.3809524), wk = 0.0028409 k( 321) = ( 0.3690476 0.0000000 0.3690476), wk = 0.0028409 k( 322) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0028409 k( 323) = ( 0.3452381 0.0000000 0.3452381), wk = 0.0028409 k( 324) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0028409 k( 325) = ( 0.3214286 0.0000000 0.3214286), wk = 0.0028409 k( 326) = ( 0.3095238 -0.0000000 0.3095238), wk = 0.0028409 k( 327) = ( 0.2976190 0.0000000 0.2976190), wk = 0.0028409 k( 328) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0028409 k( 329) = ( 0.2738095 0.0000000 0.2738095), wk = 0.0028409 k( 330) = ( 0.2619048 0.0000000 0.2619048), wk = 0.0028409 k( 331) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0028409 k( 332) = ( 0.2380952 -0.0000000 0.2380952), wk = 0.0028409 k( 333) = ( 0.2261905 -0.0000000 0.2261905), wk = 0.0028409 k( 334) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0028409 k( 335) = ( 0.2023810 -0.0000000 0.2023810), wk = 0.0028409 k( 336) = ( 0.1904762 -0.0000000 0.1904762), wk = 0.0028409 k( 337) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0028409 k( 338) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0028409 k( 339) = ( 0.1547619 -0.0000000 0.1547619), wk = 0.0028409 k( 340) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0028409 k( 341) = ( 0.1309524 0.0000000 0.1309524), wk = 0.0028409 k( 342) = ( 0.1190476 -0.0000000 0.1190476), wk = 0.0028409 k( 343) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0028409 k( 344) = ( 0.0952381 -0.0000000 0.0952381), wk = 0.0028409 k( 345) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028409 k( 346) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0028409 k( 347) = ( 0.0595238 -0.0000000 0.0595238), wk = 0.0028409 k( 348) = ( 0.0476191 -0.0000000 0.0476190), wk = 0.0028409 k( 349) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0028409 k( 350) = ( 0.0238095 0.0000000 0.0238095), wk = 0.0028409 k( 351) = ( 0.0119048 0.0000000 0.0119048), wk = 0.0028409 k( 352) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 Dense grid: 36183 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 21705 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 120, 48) NL pseudopotentials 0.11 Mb ( 60, 124) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 755) G-vector shells 0.01 Mb ( 712) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 120, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./NiP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 45.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.6 secs Computing kpt #: 4 total cpu time spent up to now is 49.9 secs Computing kpt #: 5 total cpu time spent up to now is 52.1 secs Computing kpt #: 6 total cpu time spent up to now is 55.0 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.3 secs Computing kpt #: 8 total cpu time spent up to now is 60.8 secs Computing kpt #: 9 total cpu time spent up to now is 64.1 secs Computing kpt #: 10 total cpu time spent up to now is 66.9 secs Computing kpt #: 11 total cpu time spent up to now is 68.7 secs Computing kpt #: 12 total cpu time spent up to now is 70.7 secs Computing kpt #: 13 total cpu time spent up to now is 72.4 secs Computing kpt #: 14 total cpu time spent up to now is 74.1 secs Computing kpt #: 15 total cpu time spent up to now is 75.7 secs Computing kpt #: 16 total cpu time spent up to now is 77.2 secs Computing kpt #: 17 total cpu time spent up to now is 78.8 secs Computing kpt #: 18 total cpu time spent up to now is 80.5 secs Computing kpt #: 19 total cpu time spent up to now is 82.1 secs Computing kpt #: 20 total cpu time spent up to now is 83.7 secs Computing kpt #: 21 total cpu time spent up to now is 85.4 secs Computing kpt #: 22 total cpu time spent up to now is 86.8 secs Computing kpt #: 23 total cpu time spent up to now is 88.2 secs Computing kpt #: 24 total cpu time spent up to now is 89.6 secs Computing kpt #: 25 total cpu time spent up to now is 91.0 secs Computing kpt #: 26 total cpu time spent up to now is 92.5 secs Computing kpt #: 27 total cpu time spent up to now is 94.7 secs Computing kpt #: 28 total cpu time spent up to now is 96.7 secs Computing kpt #: 29 total cpu time spent up to now is 98.7 secs Computing kpt #: 30 total cpu time spent up to now is 100.6 secs Computing kpt #: 31 total cpu time spent up to now is 102.5 secs Computing kpt #: 32 total cpu time spent up to now is 104.2 secs Computing kpt #: 33 total cpu time spent up to now is 105.7 secs Computing kpt #: 34 total cpu time spent up to now is 108.0 secs Computing kpt #: 35 total cpu time spent up to now is 110.0 secs Computing kpt #: 36 total cpu time spent up to now is 111.8 secs Computing kpt #: 37 total cpu time spent up to now is 113.3 secs Computing kpt #: 38 total cpu time spent up to now is 114.8 secs Computing kpt #: 39 total cpu time spent up to now is 116.3 secs Computing kpt #: 40 total cpu time spent up to now is 117.9 secs Computing kpt #: 41 total cpu time spent up to now is 120.4 secs Computing kpt #: 42 total cpu time spent up to now is 123.1 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.7 secs Computing kpt #: 44 total cpu time spent up to now is 129.6 secs Computing kpt #: 45 total cpu time spent up to now is 132.2 secs Computing kpt #: 46 total cpu time spent up to now is 134.5 secs Computing kpt #: 47 total cpu time spent up to now is 136.6 secs Computing kpt #: 48 total cpu time spent up to now is 140.2 secs Computing kpt #: 49 total cpu time spent up to now is 142.4 secs Computing kpt #: 50 total cpu time spent up to now is 145.5 secs Computing kpt #: 51 total cpu time spent up to now is 148.8 secs Computing kpt #: 52 total cpu time spent up to now is 151.6 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.5 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 55 total cpu time spent up to now is 163.2 secs Computing kpt #: 56 total cpu time spent up to now is 165.3 secs Computing kpt #: 57 total cpu time spent up to now is 167.8 secs Computing kpt #: 58 total cpu time spent up to now is 169.6 secs Computing kpt #: 59 total cpu time spent up to now is 171.7 secs Computing kpt #: 60 total cpu time spent up to now is 173.8 secs Computing kpt #: 61 total cpu time spent up to now is 175.6 secs Computing kpt #: 62 total cpu time spent up to now is 177.6 secs Computing kpt #: 63 total cpu time spent up to now is 179.8 secs Computing kpt #: 64 total cpu time spent up to now is 182.5 secs Computing kpt #: 65 total cpu time spent up to now is 185.2 secs Computing kpt #: 66 total cpu time spent up to now is 187.8 secs Computing kpt #: 67 total cpu time spent up to now is 190.0 secs Computing kpt #: 68 total cpu time spent up to now is 192.1 secs Computing kpt #: 69 total cpu time spent up to now is 194.1 secs Computing kpt #: 70 total cpu time spent up to now is 196.9 secs Computing kpt #: 71 total cpu time spent up to now is 198.5 secs Computing kpt #: 72 total cpu time spent up to now is 200.5 secs Computing kpt #: 73 total cpu time spent up to now is 202.2 secs Computing kpt #: 74 total cpu time spent up to now is 204.4 secs Computing kpt #: 75 total cpu time spent up to now is 206.4 secs Computing kpt #: 76 total cpu time spent up to now is 208.2 secs Computing kpt #: 77 total cpu time spent up to now is 209.9 secs Computing kpt #: 78 total cpu time spent up to now is 211.7 secs Computing kpt #: 79 total cpu time spent up to now is 213.4 secs Computing kpt #: 80 total cpu time spent up to now is 215.0 secs Computing kpt #: 81 total cpu time spent up to now is 216.5 secs Computing kpt #: 82 total cpu time spent up to now is 217.9 secs Computing kpt #: 83 total cpu time spent up to now is 219.3 secs Computing kpt #: 84 total cpu time spent up to now is 220.8 secs Computing kpt #: 85 total cpu time spent up to now is 222.3 secs Computing kpt #: 86 total cpu time spent up to now is 223.8 secs Computing kpt #: 87 total cpu time spent up to now is 225.2 secs Computing kpt #: 88 total cpu time spent up to now is 226.7 secs Computing kpt #: 89 total cpu time spent up to now is 229.9 secs Computing kpt #: 90 total cpu time spent up to now is 231.5 secs Computing kpt #: 91 total cpu time spent up to now is 232.9 secs Computing kpt #: 92 total cpu time spent up to now is 234.2 secs Computing kpt #: 93 total cpu time spent up to now is 236.1 secs Computing kpt #: 94 total cpu time spent up to now is 237.9 secs Computing kpt #: 95 total cpu time spent up to now is 239.6 secs Computing kpt #: 96 total cpu time spent up to now is 241.4 secs Computing kpt #: 97 total cpu time spent up to now is 242.9 secs Computing kpt #: 98 total cpu time spent up to now is 244.4 secs Computing kpt #: 99 total cpu time spent up to now is 246.0 secs Computing kpt #: 100 total cpu time spent up to now is 248.2 secs Computing kpt #: 101 total cpu time spent up to now is 250.1 secs Computing kpt #: 102 total cpu time spent up to now is 252.9 secs Computing kpt #: 103 total cpu time spent up to now is 254.6 secs Computing kpt #: 104 total cpu time spent up to now is 256.5 secs Computing kpt #: 105 total cpu time spent up to now is 258.8 secs Computing kpt #: 106 total cpu time spent up to now is 260.6 secs Computing kpt #: 107 total cpu time spent up to now is 262.3 secs Computing kpt #: 108 total cpu time spent up to now is 264.0 secs Computing kpt #: 109 total cpu time spent up to now is 265.6 secs Computing kpt #: 110 total cpu time spent up to now is 267.3 secs Computing kpt #: 111 total cpu time spent up to now is 269.1 secs Computing kpt #: 112 total cpu time spent up to now is 271.2 secs Computing kpt #: 113 total cpu time spent up to now is 272.9 secs Computing kpt #: 114 total cpu time spent up to now is 274.6 secs Computing kpt #: 115 total cpu time spent up to now is 276.4 secs Computing kpt #: 116 total cpu time spent up to now is 278.1 secs Computing kpt #: 117 total cpu time spent up to now is 280.6 secs Computing kpt #: 118 total cpu time spent up to now is 282.6 secs Computing kpt #: 119 total cpu time spent up to now is 284.0 secs Computing kpt #: 120 total cpu time spent up to now is 285.4 secs Computing kpt #: 121 total cpu time spent up to now is 286.9 secs Computing kpt #: 122 total cpu time spent up to now is 288.3 secs Computing kpt #: 123 total cpu time spent up to now is 290.1 secs Computing kpt #: 124 total cpu time spent up to now is 292.8 secs Computing kpt #: 125 total cpu time spent up to now is 294.4 secs Computing kpt #: 126 total cpu time spent up to now is 296.1 secs Computing kpt #: 127 total cpu time spent up to now is 297.5 secs Computing kpt #: 128 total cpu time spent up to now is 298.8 secs Computing kpt #: 129 total cpu time spent up to now is 300.2 secs Computing kpt #: 130 total cpu time spent up to now is 301.6 secs Computing kpt #: 131 total cpu time spent up to now is 303.3 secs Computing kpt #: 132 total cpu time spent up to now is 305.2 secs Computing kpt #: 133 total cpu time spent up to now is 307.7 secs Computing kpt #: 134 total cpu time spent up to now is 309.2 secs Computing kpt #: 135 total cpu time spent up to now is 310.8 secs Computing kpt #: 136 total cpu time spent up to now is 312.4 secs Computing kpt #: 137 total cpu time spent up to now is 314.2 secs Computing kpt #: 138 total cpu time spent up to now is 316.1 secs Computing kpt #: 139 total cpu time spent up to now is 317.8 secs Computing kpt #: 140 total cpu time spent up to now is 319.7 secs Computing kpt #: 141 total cpu time spent up to now is 321.6 secs Computing kpt #: 142 total cpu time spent up to now is 323.6 secs Computing kpt #: 143 total cpu time spent up to now is 325.3 secs Computing kpt #: 144 total cpu time spent up to now is 327.4 secs Computing kpt #: 145 total cpu time spent up to now is 329.5 secs Computing kpt #: 146 total cpu time spent up to now is 331.5 secs Computing kpt #: 147 total cpu time spent up to now is 334.1 secs Computing kpt #: 148 total cpu time spent up to now is 335.8 secs Computing kpt #: 149 total cpu time spent up to now is 337.5 secs Computing kpt #: 150 total cpu time spent up to now is 339.4 secs Computing kpt #: 151 total cpu time spent up to now is 341.2 secs Computing kpt #: 152 total cpu time spent up to now is 343.8 secs Computing kpt #: 153 total cpu time spent up to now is 346.8 secs Computing kpt #: 154 total cpu time spent up to now is 348.9 secs Computing kpt #: 155 total cpu time spent up to now is 351.3 secs Computing kpt #: 156 total cpu time spent up to now is 353.0 secs Computing kpt #: 157 total cpu time spent up to now is 355.2 secs Computing kpt #: 158 total cpu time spent up to now is 356.9 secs Computing kpt #: 159 total cpu time spent up to now is 358.8 secs Computing kpt #: 160 total cpu time spent up to now is 360.4 secs Computing kpt #: 161 total cpu time spent up to now is 361.9 secs Computing kpt #: 162 total cpu time spent up to now is 363.7 secs Computing kpt #: 163 total cpu time spent up to now is 365.4 secs Computing kpt #: 164 total cpu time spent up to now is 366.8 secs Computing kpt #: 165 total cpu time spent up to now is 368.4 secs Computing kpt #: 166 total cpu time spent up to now is 370.2 secs Computing kpt #: 167 total cpu time spent up to now is 371.7 secs Computing kpt #: 168 total cpu time spent up to now is 373.1 secs Computing kpt #: 169 total cpu time spent up to now is 375.1 secs Computing kpt #: 170 total cpu time spent up to now is 377.1 secs Computing kpt #: 171 total cpu time spent up to now is 378.9 secs Computing kpt #: 172 total cpu time spent up to now is 380.6 secs Computing kpt #: 173 total cpu time spent up to now is 382.1 secs Computing kpt #: 174 total cpu time spent up to now is 383.7 secs Computing kpt #: 175 total cpu time spent up to now is 385.3 secs Computing kpt #: 176 total cpu time spent up to now is 386.9 secs Computing kpt #: 177 total cpu time spent up to now is 388.7 secs Computing kpt #: 178 total cpu time spent up to now is 390.8 secs Computing kpt #: 179 total cpu time spent up to now is 392.7 secs Computing kpt #: 180 total cpu time spent up to now is 394.5 secs Computing kpt #: 181 total cpu time spent up to now is 396.4 secs Computing kpt #: 182 total cpu time spent up to now is 398.6 secs Computing kpt #: 183 total cpu time spent up to now is 401.1 secs Computing kpt #: 184 total cpu time spent up to now is 404.9 secs Computing kpt #: 185 total cpu time spent up to now is 407.1 secs Computing kpt #: 186 total cpu time spent up to now is 408.9 secs Computing kpt #: 187 total cpu time spent up to now is 411.0 secs Computing kpt #: 188 total cpu time spent up to now is 413.1 secs Computing kpt #: 189 total cpu time spent up to now is 415.4 secs Computing kpt #: 190 total cpu time spent up to now is 417.9 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.9 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.9 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 428.3 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.4 secs Computing kpt #: 195 total cpu time spent up to now is 434.5 secs Computing kpt #: 196 total cpu time spent up to now is 437.9 secs Computing kpt #: 197 total cpu time spent up to now is 441.0 secs Computing kpt #: 198 total cpu time spent up to now is 444.8 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.4 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 454.8 secs Computing kpt #: 202 total cpu time spent up to now is 457.5 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 460.7 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.9 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 467.2 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.2 secs Computing kpt #: 207 total cpu time spent up to now is 472.3 secs Computing kpt #: 208 total cpu time spent up to now is 474.5 secs Computing kpt #: 209 total cpu time spent up to now is 476.9 secs Computing kpt #: 210 total cpu time spent up to now is 478.7 secs Computing kpt #: 211 total cpu time spent up to now is 480.4 secs Computing kpt #: 212 total cpu time spent up to now is 482.0 secs Computing kpt #: 213 total cpu time spent up to now is 483.9 secs Computing kpt #: 214 total cpu time spent up to now is 486.0 secs Computing kpt #: 215 total cpu time spent up to now is 488.0 secs Computing kpt #: 216 total cpu time spent up to now is 490.2 secs Computing kpt #: 217 total cpu time spent up to now is 493.1 secs Computing kpt #: 218 total cpu time spent up to now is 495.2 secs Computing kpt #: 219 total cpu time spent up to now is 496.9 secs Computing kpt #: 220 total cpu time spent up to now is 498.6 secs Computing kpt #: 221 total cpu time spent up to now is 500.6 secs Computing kpt #: 222 total cpu time spent up to now is 502.5 secs Computing kpt #: 223 total cpu time spent up to now is 504.7 secs Computing kpt #: 224 total cpu time spent up to now is 506.3 secs Computing kpt #: 225 total cpu time spent up to now is 507.8 secs Computing kpt #: 226 total cpu time spent up to now is 509.9 secs Computing kpt #: 227 total cpu time spent up to now is 511.8 secs Computing kpt #: 228 total cpu time spent up to now is 513.6 secs Computing kpt #: 229 total cpu time spent up to now is 515.7 secs Computing kpt #: 230 total cpu time spent up to now is 517.0 secs Computing kpt #: 231 total cpu time spent up to now is 518.5 secs Computing kpt #: 232 total cpu time spent up to now is 520.3 secs Computing kpt #: 233 total cpu time spent up to now is 522.2 secs Computing kpt #: 234 total cpu time spent up to now is 524.5 secs Computing kpt #: 235 total cpu time spent up to now is 526.4 secs Computing kpt #: 236 total cpu time spent up to now is 528.6 secs Computing kpt #: 237 total cpu time spent up to now is 532.3 secs Computing kpt #: 238 total cpu time spent up to now is 534.7 secs Computing kpt #: 239 total cpu time spent up to now is 536.8 secs Computing kpt #: 240 total cpu time spent up to now is 538.9 secs Computing kpt #: 241 total cpu time spent up to now is 541.3 secs Computing kpt #: 242 total cpu time spent up to now is 544.7 secs Computing kpt #: 243 total cpu time spent up to now is 547.4 secs Computing kpt #: 244 total cpu time spent up to now is 550.0 secs Computing kpt #: 245 total cpu time spent up to now is 552.2 secs Computing kpt #: 246 total cpu time spent up to now is 553.9 secs Computing kpt #: 247 total cpu time spent up to now is 555.6 secs Computing kpt #: 248 total cpu time spent up to now is 557.3 secs Computing kpt #: 249 total cpu time spent up to now is 559.3 secs Computing kpt #: 250 total cpu time spent up to now is 561.4 secs Computing kpt #: 251 total cpu time spent up to now is 564.0 secs Computing kpt #: 252 total cpu time spent up to now is 565.7 secs Computing kpt #: 253 total cpu time spent up to now is 567.3 secs Computing kpt #: 254 total cpu time spent up to now is 568.8 secs Computing kpt #: 255 total cpu time spent up to now is 570.6 secs Computing kpt #: 256 total cpu time spent up to now is 572.2 secs Computing kpt #: 257 total cpu time spent up to now is 574.6 secs Computing kpt #: 258 total cpu time spent up to now is 576.5 secs Computing kpt #: 259 total cpu time spent up to now is 578.5 secs Computing kpt #: 260 total cpu time spent up to now is 580.5 secs Computing kpt #: 261 total cpu time spent up to now is 582.4 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.6 secs Computing kpt #: 263 total cpu time spent up to now is 588.8 secs Computing kpt #: 264 total cpu time spent up to now is 591.5 secs Computing kpt #: 265 total cpu time spent up to now is 593.9 secs Computing kpt #: 266 total cpu time spent up to now is 596.0 secs Computing kpt #: 267 total cpu time spent up to now is 598.1 secs Computing kpt #: 268 total cpu time spent up to now is 600.2 secs Computing kpt #: 269 total cpu time spent up to now is 602.5 secs Computing kpt #: 270 total cpu time spent up to now is 605.4 secs Computing kpt #: 271 total cpu time spent up to now is 607.5 secs Computing kpt #: 272 total cpu time spent up to now is 609.7 secs Computing kpt #: 273 total cpu time spent up to now is 612.3 secs Computing kpt #: 274 total cpu time spent up to now is 615.6 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 618.8 secs Computing kpt #: 276 total cpu time spent up to now is 621.8 secs Computing kpt #: 277 total cpu time spent up to now is 623.9 secs Computing kpt #: 278 total cpu time spent up to now is 626.0 secs Computing kpt #: 279 total cpu time spent up to now is 627.8 secs Computing kpt #: 280 total cpu time spent up to now is 629.8 secs Computing kpt #: 281 total cpu time spent up to now is 632.7 secs Computing kpt #: 282 total cpu time spent up to now is 634.4 secs Computing kpt #: 283 total cpu time spent up to now is 636.4 secs Computing kpt #: 284 total cpu time spent up to now is 638.1 secs Computing kpt #: 285 total cpu time spent up to now is 640.1 secs Computing kpt #: 286 total cpu time spent up to now is 641.9 secs Computing kpt #: 287 total cpu time spent up to now is 644.2 secs Computing kpt #: 288 total cpu time spent up to now is 646.2 secs Computing kpt #: 289 total cpu time spent up to now is 647.8 secs Computing kpt #: 290 total cpu time spent up to now is 649.2 secs Computing kpt #: 291 total cpu time spent up to now is 651.9 secs Computing kpt #: 292 total cpu time spent up to now is 653.7 secs Computing kpt #: 293 total cpu time spent up to now is 655.5 secs Computing kpt #: 294 total cpu time spent up to now is 657.0 secs Computing kpt #: 295 total cpu time spent up to now is 658.8 secs Computing kpt #: 296 total cpu time spent up to now is 660.1 secs Computing kpt #: 297 total cpu time spent up to now is 661.3 secs Computing kpt #: 298 total cpu time spent up to now is 662.5 secs Computing kpt #: 299 total cpu time spent up to now is 664.4 secs Computing kpt #: 300 total cpu time spent up to now is 666.1 secs Computing kpt #: 301 total cpu time spent up to now is 667.6 secs Computing kpt #: 302 total cpu time spent up to now is 669.1 secs Computing kpt #: 303 total cpu time spent up to now is 671.0 secs Computing kpt #: 304 total cpu time spent up to now is 673.8 secs Computing kpt #: 305 total cpu time spent up to now is 675.5 secs Computing kpt #: 306 total cpu time spent up to now is 677.5 secs Computing kpt #: 307 total cpu time spent up to now is 678.8 secs Computing kpt #: 308 total cpu time spent up to now is 680.0 secs Computing kpt #: 309 total cpu time spent up to now is 681.2 secs Computing kpt #: 310 total cpu time spent up to now is 683.3 secs Computing kpt #: 311 total cpu time spent up to now is 685.3 secs Computing kpt #: 312 total cpu time spent up to now is 687.6 secs Computing kpt #: 313 total cpu time spent up to now is 689.8 secs Computing kpt #: 314 total cpu time spent up to now is 691.8 secs Computing kpt #: 315 total cpu time spent up to now is 693.9 secs Computing kpt #: 316 total cpu time spent up to now is 695.9 secs Computing kpt #: 317 total cpu time spent up to now is 698.7 secs Computing kpt #: 318 total cpu time spent up to now is 700.9 secs Computing kpt #: 319 total cpu time spent up to now is 703.2 secs Computing kpt #: 320 total cpu time spent up to now is 705.5 secs Computing kpt #: 321 total cpu time spent up to now is 707.5 secs Computing kpt #: 322 total cpu time spent up to now is 709.8 secs Computing kpt #: 323 total cpu time spent up to now is 711.5 secs Computing kpt #: 324 total cpu time spent up to now is 713.1 secs Computing kpt #: 325 total cpu time spent up to now is 714.8 secs Computing kpt #: 326 total cpu time spent up to now is 716.5 secs Computing kpt #: 327 total cpu time spent up to now is 718.3 secs Computing kpt #: 328 total cpu time spent up to now is 720.5 secs Computing kpt #: 329 total cpu time spent up to now is 722.9 secs Computing kpt #: 330 total cpu time spent up to now is 725.2 secs Computing kpt #: 331 total cpu time spent up to now is 727.5 secs Computing kpt #: 332 total cpu time spent up to now is 729.3 secs Computing kpt #: 333 total cpu time spent up to now is 731.0 secs Computing kpt #: 334 total cpu time spent up to now is 732.7 secs Computing kpt #: 335 total cpu time spent up to now is 734.5 secs Computing kpt #: 336 total cpu time spent up to now is 736.5 secs Computing kpt #: 337 total cpu time spent up to now is 738.4 secs Computing kpt #: 338 total cpu time spent up to now is 740.2 secs Computing kpt #: 339 total cpu time spent up to now is 742.2 secs Computing kpt #: 340 total cpu time spent up to now is 744.9 secs Computing kpt #: 341 total cpu time spent up to now is 747.3 secs Computing kpt #: 342 total cpu time spent up to now is 750.0 secs Computing kpt #: 343 total cpu time spent up to now is 753.1 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 756.5 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 759.7 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 762.8 secs Computing kpt #: 347 total cpu time spent up to now is 765.4 secs Computing kpt #: 348 total cpu time spent up to now is 767.8 secs Computing kpt #: 349 total cpu time spent up to now is 771.4 secs Computing kpt #: 350 total cpu time spent up to now is 774.2 secs Computing kpt #: 351 total cpu time spent up to now is 776.3 secs Computing kpt #: 352 total cpu time spent up to now is 778.4 secs ethr = 2.50E-11, avg # of iterations = 48.6 total cpu time spent up to now is 778.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2693 PWs) bands (ev): -4.9233 -4.9233 -0.6736 -0.6736 -0.3308 -0.3308 2.6896 2.6896 3.9273 3.9273 4.9516 4.9516 5.5030 5.5030 5.7518 5.7518 5.7800 5.7800 6.4261 6.4261 6.5102 6.5102 6.6839 6.6839 7.5085 7.5085 7.7034 7.7034 7.9064 7.9064 7.9643 7.9643 8.4674 8.4674 8.5980 8.5980 9.2888 9.2888 9.7916 9.7916 10.5746 10.5746 12.2237 12.2237 13.0333 13.0333 13.9778 13.9778 k = 0.0088 0.0078-0.0066 ( 2699 PWs) bands (ev): -4.9221 -4.9221 -0.6921 -0.6921 -0.3114 -0.3114 2.6844 2.6844 3.9260 3.9260 4.9544 4.9544 5.4955 5.4955 5.7556 5.7556 5.7820 5.7820 6.4144 6.4144 6.5236 6.5236 6.6869 6.6869 7.5101 7.5101 7.7037 7.7037 7.9072 7.9072 7.9645 7.9645 8.4669 8.4669 8.5970 8.5970 9.2880 9.2880 9.7908 9.7908 10.5743 10.5743 12.2173 12.2173 13.0201 13.0201 13.9850 13.9850 k = 0.0177 0.0156-0.0132 ( 2702 PWs) bands (ev): -4.9185 -4.9185 -0.7387 -0.7387 -0.2622 -0.2622 2.6688 2.6688 3.9224 3.9224 4.9624 4.9624 5.4749 5.4749 5.7656 5.7656 5.7882 5.7882 6.3905 6.3905 6.5528 6.5528 6.6959 6.6959 7.5147 7.5147 7.7047 7.7047 7.9098 7.9098 7.9655 7.9655 8.4657 8.4657 8.5942 8.5942 9.2858 9.2858 9.7883 9.7883 10.5737 10.5737 12.1989 12.1989 12.9820 12.9820 14.0058 14.0058 k = 0.0265 0.0234-0.0198 ( 2698 PWs) bands (ev): -4.9126 -4.9126 -0.7997 -0.7997 -0.1967 -0.1967 2.6433 2.6433 3.9165 3.9165 4.9752 4.9752 5.4444 5.4444 5.7788 5.7788 5.7986 5.7986 6.3640 6.3640 6.5880 6.5880 6.7105 6.7105 7.5222 7.5222 7.7064 7.7064 7.9140 7.9140 7.9672 7.9672 8.4637 8.4637 8.5893 8.5893 9.2821 9.2821 9.7840 9.7840 10.5726 10.5726 12.1704 12.1704 12.9229 12.9229 14.0376 14.0376 k = 0.0353 0.0312-0.0263 ( 2703 PWs) bands (ev): -4.9043 -4.9043 -0.8673 -0.8673 -0.1231 -0.1231 2.6086 2.6086 3.9082 3.9082 4.9915 4.9915 5.4075 5.4075 5.7927 5.7927 5.8133 5.8133 6.3380 6.3380 6.6261 6.6261 6.7298 6.7298 7.5322 7.5322 7.7087 7.7087 7.9198 7.9198 7.9699 7.9699 8.4609 8.4609 8.5823 8.5823 9.2770 9.2770 9.7778 9.7778 10.5712 10.5712 12.1347 12.1347 12.8478 12.8478 14.0764 14.0764 k = 0.0442 0.0390-0.0329 ( 2699 PWs) bands (ev): -4.8936 -4.8936 -0.9377 -0.9377 -0.0449 -0.0449 2.5655 2.5655 3.8978 3.8978 5.0104 5.0104 5.3666 5.3666 5.8059 5.8059 5.8326 5.8326 6.3134 6.3134 6.6659 6.6659 6.7533 6.7533 7.5442 7.5442 7.7118 7.7118 7.9267 7.9267 7.9744 7.9744 8.4572 8.4572 8.5731 8.5731 9.2708 9.2708 9.7694 9.7694 10.5695 10.5695 12.0950 12.0950 12.7620 12.7620 14.1178 14.1178 k = 0.0530 0.0468-0.0395 ( 2699 PWs) bands (ev): -4.8805 -4.8805 -1.0092 -1.0092 0.0358 0.0358 2.5149 2.5149 3.8853 3.8853 5.0305 5.0305 5.3235 5.3235 5.8172 5.8172 5.8567 5.8567 6.2904 6.2904 6.7069 6.7069 6.7800 6.7800 7.5575 7.5575 7.7156 7.7156 7.9340 7.9340 7.9817 7.9817 8.4526 8.4526 8.5613 8.5613 9.2636 9.2636 9.7585 9.7585 10.5677 10.5677 12.0543 12.0543 12.6701 12.6701 14.1492 14.1493 k = 0.0619 0.0546-0.0461 ( 2703 PWs) bands (ev): -4.8651 -4.8651 -1.0808 -1.0808 0.1181 0.1181 2.4577 2.4577 3.8708 3.8708 5.0506 5.0506 5.2795 5.2795 5.8260 5.8260 5.8861 5.8861 6.2693 6.2693 6.7486 6.7486 6.8091 6.8091 7.5715 7.5715 7.7199 7.7199 7.9407 7.9407 7.9928 7.9928 8.4470 8.4470 8.5469 8.5469 9.2555 9.2555 9.7447 9.7447 10.5659 10.5659 12.0156 12.0156 12.5759 12.5759 14.1139 14.1139 k = 0.0707 0.0624-0.0527 ( 2707 PWs) bands (ev): -4.8473 -4.8473 -1.1520 -1.1520 0.2013 0.2013 2.3949 2.3949 3.8546 3.8546 5.0695 5.0695 5.2355 5.2355 5.8323 5.8323 5.9206 5.9206 6.2501 6.2501 6.7904 6.7904 6.8401 6.8401 7.5855 7.5855 7.7249 7.7249 7.9461 7.9461 8.0086 8.0086 8.4404 8.4404 8.5298 8.5298 9.2470 9.2470 9.7277 9.7277 10.5644 10.5644 11.9811 11.9811 12.4825 12.4825 14.0726 14.0726 k = 0.0795 0.0702-0.0593 ( 2710 PWs) bands (ev): -4.8271 -4.8271 -1.2225 -1.2225 0.2848 0.2848 2.3273 2.3273 3.8368 3.8368 5.0864 5.0864 5.1926 5.1926 5.8360 5.8360 5.9600 5.9600 6.2327 6.2327 6.8318 6.8318 6.8725 6.8725 7.5988 7.5988 7.7304 7.7304 7.9504 7.9504 8.0290 8.0290 8.4321 8.4321 8.5104 8.5104 9.2384 9.2384 9.7072 9.7072 10.5637 10.5637 11.9531 11.9531 12.3923 12.3923 14.0280 14.0280 k = 0.0884 0.0779-0.0659 ( 2702 PWs) bands (ev): -4.8047 -4.8047 -1.2921 -1.2921 0.3684 0.3684 2.2557 2.2557 3.8179 3.8179 5.1004 5.1004 5.1518 5.1518 5.8372 5.8372 6.0036 6.0036 6.2172 6.2172 6.8720 6.8720 6.9064 6.9064 7.6111 7.6111 7.7363 7.7363 7.9540 7.9540 8.0532 8.0532 8.4214 8.4214 8.4896 8.4896 9.2304 9.2304 9.6831 9.6831 10.5640 10.5640 11.9329 11.9329 12.3074 12.3074 13.9802 13.9802 k = 0.0972 0.0857-0.0724 ( 2698 PWs) bands (ev): -4.7799 -4.7799 -1.3606 -1.3606 0.4515 0.4515 2.1808 2.1808 3.7980 3.7980 5.1021 5.1021 5.1228 5.1228 5.8360 5.8360 6.0504 6.0504 6.2035 6.2035 6.9101 6.9101 6.9420 6.9420 7.6221 7.6221 7.7423 7.7423 7.9570 7.9570 8.0803 8.0803 8.4062 8.4062 8.4693 8.4693 9.2231 9.2231 9.6552 9.6552 10.5659 10.5659 11.9219 11.9219 12.2292 12.2292 13.9292 13.9292 k = 0.1060 0.0935-0.0790 ( 2698 PWs) bands (ev): -4.7528 -4.7528 -1.4279 -1.4279 0.5339 0.5339 2.1032 2.1032 3.7775 3.7775 5.0701 5.0701 5.1273 5.1273 5.8325 5.8325 6.0990 6.0990 6.1916 6.1916 6.9455 6.9455 6.9791 6.9791 7.6318 7.6318 7.7481 7.7481 7.9596 7.9596 8.1088 8.1088 8.3842 8.3842 8.4526 8.4526 9.2173 9.2173 9.6236 9.6236 10.5697 10.5697 11.9207 11.9207 12.1590 12.1590 13.8754 13.8754 k = 0.1149 0.1013-0.0856 ( 2699 PWs) bands (ev): -4.7233 -4.7233 -1.4940 -1.4940 0.6151 0.6151 2.0234 2.0234 3.7568 3.7568 5.0356 5.0356 5.1347 5.1347 5.8266 5.8266 6.1467 6.1467 6.1827 6.1827 6.9785 6.9785 7.0171 7.0171 7.6402 7.6402 7.7537 7.7537 7.9620 7.9620 8.1374 8.1374 8.3554 8.3554 8.4406 8.4406 9.2132 9.2132 9.5887 9.5887 10.5757 10.5757 11.9299 11.9299 12.0975 12.0975 13.8191 13.8191 k = 0.1237 0.1091-0.0922 ( 2703 PWs) bands (ev): -4.6916 -4.6916 -1.5587 -1.5587 0.6949 0.6949 1.9419 1.9419 3.7364 3.7364 5.0032 5.0032 5.1408 5.1408 5.8187 5.8187 6.1669 6.1669 6.2016 6.2016 7.0094 7.0094 7.0549 7.0549 7.6474 7.6474 7.7589 7.7589 7.9640 7.9640 8.1642 8.1642 8.3226 8.3226 8.4326 8.4326 9.2114 9.2114 9.5510 9.5510 10.5840 10.5840 11.9493 11.9493 12.0456 12.0456 13.7607 13.7607 k = 0.1326 0.1169-0.0988 ( 2707 PWs) bands (ev): -4.6576 -4.6576 -1.6221 -1.6221 0.7728 0.7728 1.8591 1.8591 3.7167 3.7167 4.9733 4.9733 5.1457 5.1457 5.8087 5.8087 6.1606 6.1606 6.2456 6.2456 7.0387 7.0387 7.0916 7.0916 7.6535 7.6535 7.7635 7.7635 7.9654 7.9654 8.1860 8.1860 8.2901 8.2901 8.4279 8.4279 9.2122 9.2122 9.5112 9.5112 10.5949 10.5949 11.9757 11.9757 12.0069 12.0069 13.7009 13.7009 k = 0.1414 0.1247-0.1054 ( 2709 PWs) bands (ev): -4.6214 -4.6214 -1.6840 -1.6840 0.8484 0.8484 1.7753 1.7753 3.6982 3.6982 4.9462 4.9462 5.1496 5.1496 5.7968 5.7968 6.1539 6.1539 6.2864 6.2864 7.0665 7.0665 7.1265 7.1265 7.6586 7.6586 7.7674 7.7674 7.9660 7.9660 8.1967 8.1967 8.2655 8.2655 8.4263 8.4263 9.2157 9.2157 9.4702 9.4702 10.6081 10.6081 11.9642 11.9642 12.0258 12.0258 13.6402 13.6402 k = 0.1502 0.1325-0.1120 ( 2715 PWs) bands (ev): -4.5829 -4.5829 -1.7445 -1.7445 0.9213 0.9213 1.6907 1.6907 3.6814 3.6814 4.9219 4.9219 5.1529 5.1529 5.7832 5.7832 6.1478 6.1478 6.3207 6.3207 7.0929 7.0929 7.1591 7.1591 7.6627 7.6627 7.7707 7.7707 7.9655 7.9655 8.1882 8.1882 8.2583 8.2583 8.4282 8.4282 9.2217 9.2217 9.4292 9.4292 10.6237 10.6237 11.9408 11.9408 12.0760 12.0760 13.5795 13.5795 k = 0.1591 0.1403-0.1185 ( 2718 PWs) bands (ev): -4.5422 -4.5422 -1.8036 -1.8036 0.9911 0.9911 1.6057 1.6057 3.6668 3.6668 4.9003 4.9003 5.1558 5.1558 5.7681 5.7681 6.1424 6.1424 6.3463 6.3463 7.1177 7.1177 7.1888 7.1888 7.6658 7.6658 7.7733 7.7733 7.9637 7.9637 8.1697 8.1697 8.2611 8.2611 8.4332 8.4332 9.2300 9.2300 9.3895 9.3895 10.6411 10.6411 11.9248 11.9248 12.1373 12.1373 13.5197 13.5197 k = 0.1679 0.1481-0.1251 ( 2718 PWs) bands (ev): -4.4993 -4.4993 -1.8612 -1.8612 1.0574 1.0574 1.5204 1.5204 3.6547 3.6547 4.8813 4.8813 5.1588 5.1588 5.7517 5.7517 6.1376 6.1376 6.3609 6.3609 7.1408 7.1408 7.2154 7.2154 7.6680 7.6680 7.7755 7.7755 7.9614 7.9614 8.1535 8.1535 8.2637 8.2637 8.4406 8.4406 9.2393 9.2393 9.3531 9.3531 10.6603 10.6603 11.9164 11.9164 12.2084 12.2084 13.4618 13.4618 k = 0.1767 0.1559-0.1317 ( 2722 PWs) bands (ev): -4.4542 -4.4542 -1.9173 -1.9173 1.1197 1.1197 1.4350 1.4350 3.6456 3.6456 4.8650 4.8650 5.1620 5.1620 5.7343 5.7343 6.1331 6.1331 6.3626 6.3626 7.1620 7.1620 7.2385 7.2385 7.6694 7.6694 7.7777 7.7777 7.9597 7.9597 8.1431 8.1431 8.2636 8.2636 8.4489 8.4489 9.2453 9.2453 9.3254 9.3254 10.6808 10.6808 11.9147 11.9147 12.2883 12.2883 13.4070 13.4070 k = 0.1856 0.1637-0.1383 ( 2718 PWs) bands (ev): -4.4070 -4.4070 -1.9719 -1.9719 1.1777 1.1777 1.3497 1.3497 3.6399 3.6399 4.8511 4.8511 5.1657 5.1657 5.7162 5.7162 6.1285 6.1285 6.3505 6.3505 7.1812 7.1812 7.2582 7.2582 7.6707 7.6707 7.7805 7.7805 7.9606 7.9606 8.1386 8.1386 8.2612 8.2612 8.4567 8.4567 9.2378 9.2378 9.3170 9.3170 10.7022 10.7022 11.9189 11.9189 12.3763 12.3763 13.3567 13.3567 k = 0.1944 0.1715-0.1449 ( 2717 PWs) bands (ev): -4.3576 -4.3576 -2.0250 -2.0250 1.2302 1.2302 1.2653 1.2653 3.6377 3.6377 4.8394 4.8394 5.1700 5.1700 5.6979 5.6979 6.1232 6.1232 6.3243 6.3243 7.1982 7.1982 7.2745 7.2745 7.6723 7.6723 7.7841 7.7841 7.9652 7.9652 8.1386 8.1386 8.2572 8.2572 8.4629 8.4629 9.2165 9.2165 9.3286 9.3286 10.7242 10.7242 11.9275 11.9275 12.4715 12.4715 13.3123 13.3123 k = 0.2033 0.1793-0.1515 ( 2718 PWs) bands (ev): -4.3061 -4.3061 -2.0766 -2.0766 1.1787 1.1787 1.2801 1.2801 3.6391 3.6391 4.8299 4.8299 5.1751 5.1751 5.6798 5.6798 6.1153 6.1153 6.2857 6.2857 7.2128 7.2128 7.2880 7.2880 7.6745 7.6745 7.7886 7.7886 7.9741 7.9741 8.1417 8.1417 8.2527 8.2527 8.4667 8.4667 9.1915 9.1915 9.3504 9.3504 10.7464 10.7464 11.9393 11.9393 12.5725 12.5725 13.2754 13.2754 k = 0.2121 0.1871-0.1581 ( 2713 PWs) bands (ev): -4.2526 -4.2526 -2.1267 -2.1267 1.0942 1.0942 1.3233 1.3233 3.6442 3.6442 4.8223 4.8223 5.1813 5.1813 5.6625 5.6625 6.1008 6.1008 6.2399 6.2399 7.2248 7.2248 7.2990 7.2990 7.6777 7.6777 7.7938 7.7938 7.9875 7.9875 8.1465 8.1465 8.2484 8.2484 8.4679 8.4679 9.1678 9.1678 9.3773 9.3773 10.7685 10.7685 11.9529 11.9529 12.6777 12.6777 13.2479 13.2479 k = 0.2209 0.1949-0.1646 ( 2715 PWs) bands (ev): -4.1970 -4.1970 -2.1752 -2.1752 1.0099 1.0099 1.3614 1.3614 3.6528 3.6528 4.8164 4.8164 5.1884 5.1884 5.6465 5.6465 6.0693 6.0693 6.1986 6.1986 7.2340 7.2340 7.3079 7.3079 7.6815 7.6815 7.7993 7.7993 8.0046 8.0046 8.1520 8.1520 8.2449 8.2449 8.4665 8.4665 9.1467 9.1467 9.4076 9.4076 10.7901 10.7901 11.9668 11.9668 12.7847 12.7847 13.2312 13.2312 k = 0.2298 0.2027-0.1712 ( 2715 PWs) bands (ev): -4.1394 -4.1394 -2.2222 -2.2222 0.9259 0.9259 1.3943 1.3943 3.6645 3.6645 4.8119 4.8119 5.1968 5.1968 5.6326 5.6326 6.0109 6.0109 6.1738 6.1738 7.2403 7.2403 7.3149 7.3149 7.6857 7.6857 7.8051 7.8051 8.0250 8.0250 8.1571 8.1571 8.2429 8.2429 8.4630 8.4630 9.1286 9.1286 9.4403 9.4403 10.8109 10.8109 11.9800 11.9800 12.8902 12.8902 13.2269 13.2269 k = 0.2386 0.2105-0.1778 ( 2715 PWs) bands (ev): -4.0798 -4.0798 -2.2678 -2.2678 0.8423 0.8423 1.4223 1.4223 3.6788 3.6788 4.8086 4.8086 5.2063 5.2063 5.6214 5.6214 5.9304 5.9304 6.1624 6.1624 7.2436 7.2436 7.3203 7.3203 7.6901 7.6901 7.8108 7.8108 8.0474 8.0474 8.1613 8.1613 8.2429 8.2429 8.4578 8.4578 9.1134 9.1134 9.4748 9.4748 10.8305 10.8305 11.9918 11.9918 12.9897 12.9897 13.2360 13.2360 k = 0.2474 0.2183-0.1844 ( 2717 PWs) bands (ev): -4.0183 -4.0183 -2.3117 -2.3117 0.7591 0.7591 1.4453 1.4453 3.6952 3.6952 4.8062 4.8062 5.2171 5.2171 5.6138 5.6138 5.8370 5.8370 6.1574 6.1574 7.2439 7.2439 7.3239 7.3239 7.6944 7.6944 7.8163 7.8163 8.0710 8.0710 8.1640 8.1640 8.2449 8.2449 8.4516 8.4516 9.1008 9.1008 9.5104 9.5104 10.8489 10.8489 12.0019 12.0019 13.0780 13.0780 13.2590 13.2590 k = 0.2563 0.2260-0.1910 ( 2714 PWs) bands (ev): -3.9549 -3.9549 -2.3542 -2.3542 0.6764 0.6764 1.4638 1.4638 3.7129 3.7129 4.8044 4.8044 5.2292 5.2292 5.6102 5.6102 5.7358 5.7358 6.1554 6.1554 7.2411 7.2411 7.3258 7.3258 7.6984 7.6984 7.8216 7.8216 8.0945 8.0945 8.1656 8.1656 8.2491 8.2491 8.4452 8.4452 9.0905 9.0905 9.5462 9.5462 10.8658 10.8658 12.0109 12.0109 13.1507 13.1507 13.2959 13.2959 k = 0.2651 0.2338-0.1976 ( 2724 PWs) bands (ev): -3.8896 -3.8896 -2.3952 -2.3952 0.5940 0.5940 1.4782 1.4782 3.7312 3.7312 4.8032 4.8032 5.2424 5.2424 5.6099 5.6099 5.6312 5.6312 6.1551 6.1551 7.2352 7.2352 7.3258 7.3258 7.7022 7.7022 7.8266 7.8266 8.1163 8.1163 8.1669 8.1669 8.2547 8.2547 8.4393 8.4393 9.0821 9.0821 9.5814 9.5814 10.8811 10.8811 12.0197 12.0197 13.2077 13.2077 13.3457 13.3457 k = 0.2740 0.2416-0.2042 ( 2722 PWs) bands (ev): -3.8226 -3.8226 -2.4346 -2.4346 0.5120 0.5120 1.4887 1.4887 3.7491 3.7491 4.8024 4.8024 5.2565 5.2565 5.5196 5.5196 5.6193 5.6193 6.1557 6.1557 7.2264 7.2264 7.3241 7.3241 7.7056 7.7056 7.8314 7.8314 8.1338 8.1338 8.1702 8.1702 8.2616 8.2616 8.4344 8.4344 9.0754 9.0754 9.6154 9.6154 10.8947 10.8947 12.0298 12.0298 13.2531 13.2531 13.4075 13.4075 k = 0.2828 0.2494-0.2107 ( 2724 PWs) bands (ev): -3.7537 -3.7537 -2.4725 -2.4725 0.4304 0.4304 1.4959 1.4959 3.7658 3.7658 4.8021 4.8021 5.2701 5.2701 5.4107 5.4107 5.6318 5.6318 6.1572 6.1572 7.2148 7.2148 7.3206 7.3206 7.7086 7.7086 7.8360 7.8360 8.1429 8.1429 8.1791 8.1791 8.2695 8.2695 8.4313 8.4313 9.0699 9.0699 9.6472 9.6472 10.9068 10.9068 12.0425 12.0425 13.2923 13.2923 13.4798 13.4798 k = 0.2916 0.2572-0.2173 ( 2724 PWs) bands (ev): -3.6832 -3.6832 -2.5089 -2.5089 0.3490 0.3490 1.5001 1.5001 3.7807 3.7807 4.8023 4.8023 5.2639 5.2639 5.3220 5.3220 5.6503 5.6503 6.1593 6.1593 7.2006 7.2006 7.3151 7.3151 7.7113 7.7113 7.8403 7.8403 8.1444 8.1444 8.1922 8.1922 8.2782 8.2782 8.4303 8.4303 9.0656 9.0656 9.6763 9.6763 10.9173 10.9173 12.0595 12.0595 13.3299 13.3299 13.5612 13.5612 k = 0.3005 0.2650-0.2239 ( 2726 PWs) bands (ev): -3.6110 -3.6110 -2.5438 -2.5438 0.2680 0.2680 1.5018 1.5018 3.7929 3.7929 4.8032 4.8032 5.1727 5.1727 5.3196 5.3196 5.6746 5.6746 6.1620 6.1620 7.1839 7.1839 7.3076 7.3076 7.7137 7.7137 7.8444 7.8444 8.1424 8.1424 8.2053 8.2053 8.2878 8.2878 8.4319 8.4319 9.0621 9.0621 9.7019 9.7019 10.9265 10.9265 12.0820 12.0820 13.3687 13.3687 13.6500 13.6500 k = 0.3093 0.2728-0.2305 ( 2724 PWs) bands (ev): -3.5372 -3.5372 -2.5772 -2.5772 0.1871 0.1871 1.5014 1.5014 3.8020 3.8020 4.8053 4.8053 5.0634 5.0634 5.3373 5.3373 5.7045 5.7045 6.1652 6.1652 7.1651 7.1651 7.2981 7.2981 7.7159 7.7159 7.8483 7.8483 8.1388 8.1388 8.2161 8.2161 8.2982 8.2982 8.4360 8.4360 9.0594 9.0594 9.7237 9.7237 10.9346 10.9346 12.1112 12.1112 13.4108 13.4108 13.7447 13.7447 k = 0.3181 0.2806-0.2371 ( 2722 PWs) bands (ev): -3.4619 -3.4619 -2.6091 -2.6091 0.1063 0.1063 1.4993 1.4993 3.8076 3.8076 4.8087 4.8087 4.9538 4.9538 5.3581 5.3581 5.7393 5.7393 6.1690 6.1690 7.1443 7.1443 7.2865 7.2865 7.7178 7.7178 7.8520 7.8520 8.1345 8.1345 8.2244 8.2244 8.3094 8.3094 8.4427 8.4427 9.0573 9.0573 9.7415 9.7415 10.9421 10.9421 12.1477 12.1477 13.4568 13.4568 13.8438 13.8438 k = 0.3270 0.2884-0.2437 ( 2724 PWs) bands (ev): -3.3851 -3.3851 -2.6395 -2.6395 0.0257 0.0257 1.4959 1.4959 3.8095 3.8095 4.8137 4.8137 4.8458 4.8458 5.3806 5.3806 5.7783 5.7783 6.1735 6.1735 7.1219 7.1219 7.2728 7.2728 7.7195 7.7195 7.8555 7.8555 8.1296 8.1296 8.2300 8.2300 8.3212 8.3212 8.4515 8.4515 9.0559 9.0559 9.7550 9.7550 10.9493 10.9493 12.1921 12.1921 13.5069 13.5069 13.9455 13.9455 k = 0.3358 0.2962-0.2503 ( 2730 PWs) bands (ev): -3.3068 -3.3068 -2.6685 -2.6685 -0.0550 -0.0550 1.4913 1.4913 3.8078 3.8078 4.7400 4.7400 4.8205 4.8205 5.4044 5.4044 5.8209 5.8209 6.1786 6.1786 7.0982 7.0982 7.2568 7.2568 7.7210 7.7210 7.8588 7.8588 8.1246 8.1246 8.2333 8.2333 8.3336 8.3336 8.4620 8.4620 9.0550 9.0550 9.7645 9.7645 10.9566 10.9566 12.2444 12.2444 13.5607 13.5607 14.0483 14.0483 k = 0.3447 0.3040-0.2568 ( 2724 PWs) bands (ev): -3.2273 -3.2273 -2.6959 -2.6959 -0.1357 -0.1357 1.4860 1.4860 3.8026 3.8026 4.6372 4.6372 4.8292 4.8292 5.4292 5.4292 5.8659 5.8659 6.1845 6.1845 7.0736 7.0736 7.2386 7.2386 7.7223 7.7223 7.8619 7.8619 8.1196 8.1196 8.2350 8.2350 8.3464 8.3464 8.4740 8.4740 9.0548 9.0548 9.7704 9.7704 10.9644 10.9644 12.3044 12.3044 13.6173 13.6173 14.1504 14.1504 k = 0.3535 0.3118-0.2634 ( 2729 PWs) bands (ev): -3.1465 -3.1465 -2.7218 -2.7218 -0.2165 -0.2165 1.4801 1.4801 3.7943 3.7943 4.5378 4.5378 4.8398 4.8398 5.4548 5.4548 5.9124 5.9124 6.1912 6.1912 7.0483 7.0483 7.2181 7.2181 7.7234 7.7234 7.8649 7.8649 8.1146 8.1146 8.2351 8.2351 8.3596 8.3596 8.4869 8.4869 9.0551 9.0551 9.7729 9.7729 10.9733 10.9733 12.3717 12.3717 13.6749 13.6749 14.2499 14.2499 k = 0.3623 0.3196-0.2700 ( 2728 PWs) bands (ev): -3.0645 -3.0645 -2.7463 -2.7463 -0.2975 -0.2975 1.4739 1.4739 3.7832 3.7832 4.4421 4.4421 4.8522 4.8522 5.4811 5.4811 5.9595 5.9595 6.1990 6.1990 7.0229 7.0229 7.1952 7.1952 7.7243 7.7243 7.8677 7.8677 8.1100 8.1100 8.2341 8.2341 8.3729 8.3729 8.5005 8.5005 9.0561 9.0561 9.7727 9.7727 10.9837 10.9837 12.4458 12.4458 13.7308 13.7308 14.3448 14.3448 k = 0.3712 0.3274-0.2766 ( 2726 PWs) bands (ev): -2.9814 -2.9814 -2.7693 -2.7693 -0.3788 -0.3788 1.4675 1.4675 3.7698 3.7698 4.3507 4.3507 4.8662 4.8662 5.5078 5.5078 6.0061 6.0061 6.2078 6.2078 6.9978 6.9978 7.1700 7.1700 7.7252 7.7252 7.8704 7.8704 8.1057 8.1057 8.2323 8.2323 8.3865 8.3865 8.5146 8.5146 9.0577 9.0577 9.7702 9.7702 10.9959 10.9959 12.5259 12.5259 13.7796 13.7796 14.4303 14.4303 k = 0.3800 0.3352-0.2832 ( 2724 PWs) bands (ev): -2.8973 -2.8973 -2.7908 -2.7908 -0.4603 -0.4603 1.4611 1.4611 3.7548 3.7548 4.2637 4.2637 4.8816 4.8816 5.5348 5.5348 6.0512 6.0512 6.2179 6.2179 6.9733 6.9733 7.1425 7.1425 7.7258 7.7258 7.8729 7.8729 8.1017 8.1017 8.2298 8.2298 8.4001 8.4001 8.5289 8.5289 9.0601 9.0601 9.7660 9.7660 11.0106 11.0106 12.6111 12.6111 13.8110 13.8110 14.3525 14.3525 k = 0.3888 0.3430-0.2898 ( 2722 PWs) bands (ev): -2.8126 -2.8126 -2.8106 -2.8106 -0.5423 -0.5423 1.4548 1.4548 3.7385 3.7385 4.1815 4.1815 4.8982 4.8982 5.5617 5.5617 6.0940 6.0940 6.2295 6.2295 6.9501 6.9501 7.1126 7.1126 7.7263 7.7263 7.8753 7.8753 8.0982 8.0982 8.2270 8.2270 8.4134 8.4134 8.5434 8.5434 9.0632 9.0632 9.7606 9.7606 11.0280 11.0280 12.7005 12.7005 13.8078 13.8078 14.2982 14.2982 k = 0.3977 0.3508-0.2964 ( 2714 PWs) bands (ev): -2.8294 -2.8294 -2.7265 -2.7265 -0.6245 -0.6245 1.4487 1.4487 3.7216 3.7216 4.1044 4.1044 4.9156 4.9156 5.5883 5.5883 6.1335 6.1335 6.2426 6.2426 6.9285 6.9285 7.0805 7.0805 7.7268 7.7268 7.8775 7.8775 8.0951 8.0951 8.2240 8.2240 8.4263 8.4263 8.5580 8.5580 9.0671 9.0671 9.7545 9.7545 11.0484 11.0484 12.7933 12.7933 13.7578 13.7578 14.2893 14.2893 k = 0.4065 0.3586-0.3029 ( 2712 PWs) bands (ev): -2.8465 -2.8465 -2.6401 -2.6401 -0.7073 -0.7073 1.4429 1.4429 3.7045 3.7045 4.0327 4.0327 4.9336 4.9336 5.6143 5.6143 6.1691 6.1691 6.2575 6.2575 6.9090 6.9090 7.0463 7.0463 7.7270 7.7270 7.8794 7.8794 8.0924 8.0924 8.2210 8.2210 8.4386 8.4386 8.5724 8.5724 9.0718 9.0718 9.7479 9.7479 11.0723 11.0723 12.8882 12.8882 13.6692 13.6692 14.3182 14.3182 k = 0.4154 0.3664-0.3095 ( 2711 PWs) bands (ev): -2.8621 -2.8621 -2.5531 -2.5531 -0.7904 -0.7904 1.4374 1.4374 3.6876 3.6876 3.9665 3.9665 4.9517 4.9517 5.6394 5.6394 6.2003 6.2003 6.2744 6.2744 6.8921 6.8921 7.0101 7.0101 7.7272 7.7272 7.8812 7.8812 8.0900 8.0900 8.2180 8.2180 8.4501 8.4501 8.5865 8.5865 9.0771 9.0771 9.7411 9.7411 11.0996 11.0996 12.9843 12.9843 13.5596 13.5596 14.3679 14.3679 k = 0.4242 0.3742-0.3161 ( 2709 PWs) bands (ev): -2.8763 -2.8763 -2.4657 -2.4657 -0.8739 -0.8739 1.4324 1.4324 3.6713 3.6713 3.9061 3.9061 4.9697 4.9697 5.6633 5.6633 6.2266 6.2266 6.2933 6.2933 6.8780 6.8780 6.9720 6.9720 7.7272 7.7272 7.8828 7.8828 8.0879 8.0879 8.2152 8.2152 8.4607 8.4607 8.6002 8.6002 9.0831 9.0831 9.7346 9.7346 11.1304 11.1304 13.0803 13.0803 13.4409 13.4409 14.4266 14.4266 k = 0.4330 0.3819-0.3227 ( 2712 PWs) bands (ev): -2.8890 -2.8890 -2.3780 -2.3780 -0.9577 -0.9577 1.4277 1.4277 3.6561 3.6561 3.8517 3.8517 4.9873 4.9873 5.6856 5.6856 6.2479 6.2479 6.3145 6.3145 6.8667 6.8667 6.9323 6.9323 7.7273 7.7273 7.8842 7.8842 8.0861 8.0861 8.2126 8.2126 8.4702 8.4702 8.6131 8.6131 9.0894 9.0894 9.7283 9.7283 11.1645 11.1645 13.1748 13.1748 13.3202 13.3202 14.4878 14.4878 k = 0.4419 0.3897-0.3293 ( 2708 PWs) bands (ev): -2.9002 -2.9002 -2.2904 -2.2904 -1.0418 -1.0418 1.4236 1.4236 3.6422 3.6422 3.8035 3.8035 5.0040 5.0040 5.7063 5.7063 6.2643 6.2643 6.3382 6.3382 6.8580 6.8580 6.8914 6.8914 7.7272 7.7272 7.8855 7.8855 8.0846 8.0846 8.2104 8.2104 8.4786 8.4786 8.6250 8.6250 9.0960 9.0960 9.7227 9.7227 11.2013 11.2013 13.2016 13.2016 13.2662 13.2662 14.5477 14.5477 k = 0.4507 0.3975-0.3359 ( 2707 PWs) bands (ev): -2.9100 -2.9100 -2.2032 -2.2032 -1.1258 -1.1258 1.4199 1.4199 3.6299 3.6299 3.7615 3.7615 5.0196 5.0196 5.7250 5.7250 6.2761 6.2761 6.3646 6.3646 6.8456 6.8456 6.8557 6.8557 7.7272 7.7272 7.8865 7.8865 8.0833 8.0833 8.2085 8.2085 8.4858 8.4858 8.6358 8.6358 9.1026 9.1026 9.7177 9.7177 11.2402 11.2402 13.0889 13.0889 13.3524 13.3524 14.6035 14.6035 k = 0.4595 0.4053-0.3425 ( 2701 PWs) bands (ev): -2.9184 -2.9184 -2.1167 -2.1167 -1.2094 -1.2094 1.4167 1.4167 3.6194 3.6194 3.7260 3.7260 5.0337 5.0337 5.7416 5.7416 6.2840 6.2840 6.3936 6.3936 6.8045 6.8045 6.8498 6.8498 7.7272 7.7272 7.8874 7.8874 8.0822 8.0822 8.2069 8.2069 8.4919 8.4919 8.6451 8.6451 9.1088 9.1088 9.7134 9.7134 11.2796 11.2796 12.9850 12.9850 13.4313 13.4313 14.6532 14.6532 k = 0.4684 0.4131-0.3491 ( 2703 PWs) bands (ev): -2.9252 -2.9252 -2.0318 -2.0318 -1.2918 -1.2918 1.4140 1.4140 3.6109 3.6109 3.6971 3.6971 5.0460 5.0460 5.7559 5.7559 6.2888 6.2888 6.4250 6.4250 6.7608 6.7608 6.8476 6.8476 7.7271 7.7271 7.8881 7.8881 8.0812 8.0812 8.2057 8.2057 8.4967 8.4967 8.6529 8.6529 9.1143 9.1143 9.7098 9.7098 11.3176 11.3176 12.8929 12.8929 13.5000 13.5000 14.6837 14.6837 k = 0.4772 0.4209-0.3556 ( 2704 PWs) bands (ev): -2.9307 -2.9307 -1.9501 -1.9501 -1.3716 -1.3716 1.4118 1.4118 3.6045 3.6045 3.6747 3.6747 5.0562 5.0562 5.7679 5.7679 6.2914 6.2914 6.4587 6.4587 6.7166 6.7166 6.8466 6.8466 7.7270 7.7270 7.8886 7.8886 8.0805 8.0805 8.2047 8.2047 8.5005 8.5005 8.6589 8.6589 9.1188 9.1188 9.7071 9.7071 11.3518 11.3518 12.8163 12.8163 13.5553 13.5553 14.6692 14.6692 k = 0.4861 0.4287-0.3622 ( 2702 PWs) bands (ev): -2.9346 -2.9346 -1.8755 -1.8755 -1.4448 -1.4448 1.4102 1.4102 3.6005 3.6005 3.6591 3.6591 5.0641 5.0641 5.7775 5.7775 6.2925 6.2925 6.4945 6.4945 6.6723 6.6723 6.8462 6.8462 7.7270 7.7270 7.8889 7.8889 8.0799 8.0799 8.2041 8.2041 8.5031 8.5031 8.6632 8.6632 9.1222 9.1222 9.7053 9.7053 11.3792 11.3792 12.7587 12.7587 13.5939 13.5939 14.6585 14.6585 k = 0.4949 0.4365-0.3688 ( 2704 PWs) bands (ev): -2.9371 -2.9371 -1.8182 -1.8182 -1.5014 -1.5014 1.4091 1.4091 3.5987 3.5987 3.6502 3.6502 5.0695 5.0695 5.7848 5.7848 6.2927 6.2927 6.5320 6.5320 6.6283 6.6283 6.8460 6.8460 7.7270 7.7270 7.8890 7.8890 8.0794 8.0794 8.2037 8.2037 8.5046 8.5046 8.6656 8.6656 9.1240 9.1240 9.7043 9.7043 11.3966 11.3966 12.7237 12.7237 13.6127 13.6127 14.6555 14.6555 k = 0.4949 0.4365-0.3688 ( 2704 PWs) bands (ev): -2.9371 -2.9371 -1.8182 -1.8182 -1.5014 -1.5014 1.4091 1.4091 3.5987 3.5987 3.6502 3.6502 5.0695 5.0695 5.7848 5.7848 6.2927 6.2927 6.5320 6.5320 6.6283 6.6283 6.8460 6.8460 7.7270 7.7270 7.8890 7.8890 8.0794 8.0794 8.2037 8.2037 8.5046 8.5046 8.6656 8.6656 9.1240 9.1240 9.7043 9.7043 11.3966 11.3966 12.7237 12.7237 13.6127 13.6127 14.6555 14.6555 k = 0.4995 0.4405-0.3581 ( 2706 PWs) bands (ev): -2.9374 -2.9374 -1.8215 -1.8215 -1.4955 -1.4955 1.4073 1.4073 3.5959 3.5959 3.6516 3.6516 5.0695 5.0695 5.7533 5.7533 6.2966 6.2966 6.5067 6.5067 6.6855 6.6855 6.8470 6.8470 7.7272 7.7272 7.8897 7.8897 8.0801 8.0801 8.2047 8.2047 8.5045 8.5045 8.6657 8.6657 9.1240 9.1240 9.7028 9.7028 11.3905 11.3905 12.7312 12.7312 13.6061 13.6061 14.6500 14.6500 k = 0.5040 0.4446-0.3473 ( 2706 PWs) bands (ev): -2.9393 -2.9393 -1.8236 -1.8236 -1.4879 -1.4879 1.4025 1.4025 3.5928 3.5928 3.6541 3.6541 5.0743 5.0743 5.7005 5.7005 6.3036 6.3036 6.4920 6.4920 6.7551 6.7551 6.8488 6.8488 7.7277 7.7277 7.8909 7.8909 8.0812 8.0812 8.2069 8.2069 8.5045 8.5045 8.6659 8.6659 9.1236 9.1236 9.6999 9.6999 11.3814 11.3814 12.7409 12.7409 13.5735 13.5735 14.6579 14.6579 k = 0.5086 0.4486-0.3366 ( 2712 PWs) bands (ev): -2.9430 -2.9430 -1.8243 -1.8243 -1.4788 -1.4788 1.3950 1.3950 3.5891 3.5891 3.6577 3.6577 5.0841 5.0841 5.6322 5.6322 6.3133 6.3133 6.4843 6.4843 6.8343 6.8343 6.8514 6.8514 7.7284 7.7284 7.8925 7.8925 8.0825 8.0825 8.2102 8.2102 8.5045 8.5045 8.6662 8.6662 9.1229 9.1229 9.6954 9.6954 11.3698 11.3698 12.7525 12.7525 13.5176 13.5176 14.6759 14.6759 k = 0.5132 0.4526-0.3259 ( 2715 PWs) bands (ev): -2.9483 -2.9483 -1.8238 -1.8238 -1.4681 -1.4681 1.3849 1.3849 3.5843 3.5843 3.6623 3.6623 5.0995 5.0995 5.5537 5.5537 6.3252 6.3252 6.4812 6.4812 6.8547 6.8547 6.9205 6.9205 7.7295 7.7295 7.8948 7.8948 8.0840 8.0840 8.2148 8.2148 8.5046 8.5046 8.6667 8.6667 9.1217 9.1217 9.6895 9.6895 11.3562 11.3562 12.7655 12.7655 13.4429 13.4429 14.6987 14.6987 k = 0.5177 0.4566-0.3151 ( 2718 PWs) bands (ev): -2.9554 -2.9554 -1.8221 -1.8221 -1.4557 -1.4557 1.3726 1.3726 3.5780 3.5780 3.6680 3.6680 5.1209 5.1209 5.4690 5.4690 6.3388 6.3388 6.4809 6.4809 6.8589 6.8589 7.0111 7.0111 7.7310 7.7310 7.8976 7.8976 8.0857 8.0857 8.2207 8.2207 8.5047 8.5047 8.6673 8.6673 9.1200 9.1200 9.6819 9.6819 11.3411 11.3411 12.7795 12.7795 13.3540 13.3540 14.7199 14.7199 k = 0.5223 0.4607-0.3044 ( 2717 PWs) bands (ev): -2.9641 -2.9641 -1.8193 -1.8193 -1.4417 -1.4417 1.3585 1.3585 3.5696 3.5696 3.6746 3.6746 5.1488 5.1488 5.3807 5.3807 6.3536 6.3536 6.4826 6.4826 6.8640 6.8640 7.1040 7.1040 7.7329 7.7329 7.9011 7.9011 8.0877 8.0877 8.2282 8.2282 8.5048 8.5048 8.6681 8.6681 9.1179 9.1179 9.6726 9.6726 11.3251 11.3251 12.7939 12.7939 13.2547 13.2547 14.7322 14.7322 k = 0.5223 0.4607-0.3044 ( 2717 PWs) bands (ev): -2.9641 -2.9641 -1.8193 -1.8193 -1.4417 -1.4417 1.3585 1.3585 3.5696 3.5696 3.6746 3.6746 5.1488 5.1488 5.3807 5.3807 6.3536 6.3536 6.4826 6.4826 6.8640 6.8640 7.1040 7.1040 7.7329 7.7329 7.9011 7.9011 8.0877 8.0877 8.2282 8.2282 8.5048 8.5048 8.6681 8.6681 9.1179 9.1179 9.6726 9.6726 11.3251 11.3251 12.7939 12.7939 13.2547 13.2547 14.7322 14.7322 k = 0.5215 0.4599-0.2911 ( 2721 PWs) bands (ev): -2.9658 -2.9658 -1.8555 -1.8555 -1.3881 -1.3881 1.3480 1.3480 3.5479 3.5479 3.6876 3.6876 5.1616 5.1616 5.2761 5.2761 6.3682 6.3682 6.4770 6.4770 6.8712 6.8712 7.2147 7.2147 7.7350 7.7350 7.9053 7.9053 8.0933 8.0933 8.2357 8.2357 8.5038 8.5038 8.6676 8.6676 9.1155 9.1155 9.6625 9.6625 11.2939 11.2939 12.8424 12.8424 13.1983 13.1983 14.6999 14.6999 k = 0.5206 0.4592-0.2778 ( 2723 PWs) bands (ev): -2.9668 -2.9668 -1.8959 -1.8959 -1.3283 -1.3283 1.3370 1.3370 3.5217 3.5217 3.7040 3.7040 5.1599 5.1599 5.1872 5.1872 6.3804 6.3804 6.4735 6.4735 6.8796 6.8796 7.3227 7.3227 7.7382 7.7382 7.9101 7.9101 8.1001 8.1001 8.2444 8.2444 8.5024 8.5024 8.6666 8.6666 9.1120 9.1120 9.6510 9.6510 11.2624 11.2624 12.8985 12.8985 13.1366 13.1366 14.6660 14.6660 k = 0.5198 0.4585-0.2645 ( 2723 PWs) bands (ev): -2.9671 -2.9671 -1.9382 -1.9382 -1.2647 -1.2647 1.3255 1.3255 3.4910 3.4910 3.7235 3.7235 5.0581 5.0581 5.2019 5.2019 6.3892 6.3892 6.4717 6.4717 6.8889 6.8889 7.4257 7.4257 7.7436 7.7436 7.9155 7.9155 8.1082 8.1082 8.2544 8.2544 8.5007 8.5007 8.6654 8.6654 9.1071 9.1071 9.6383 9.6383 11.2332 11.2332 12.9603 12.9603 13.0704 13.0704 14.6339 14.6339 k = 0.5190 0.4578-0.2511 ( 2721 PWs) bands (ev): -2.9665 -2.9665 -1.9810 -1.9810 -1.1983 -1.1983 1.3134 1.3134 3.4561 3.4561 3.7461 3.7461 4.9505 4.9505 5.2275 5.2275 6.3938 6.3938 6.4710 6.4710 6.8990 6.8990 7.5200 7.5200 7.7534 7.7534 7.9215 7.9215 8.1176 8.1176 8.2657 8.2657 8.4986 8.4986 8.6639 8.6639 9.1007 9.1007 9.6241 9.6241 11.2084 11.2084 12.9993 12.9993 13.0274 13.0274 14.6057 14.6057 k = 0.5182 0.4570-0.2378 ( 2721 PWs) bands (ev): -2.9653 -2.9653 -2.0239 -2.0239 -1.1300 -1.1300 1.3008 1.3008 3.4173 3.4173 3.7716 3.7716 4.8435 4.8435 5.2586 5.2586 6.3937 6.3937 6.4710 6.4710 6.9095 6.9095 7.5981 7.5981 7.7739 7.7739 7.9281 7.9281 8.1283 8.1283 8.2785 8.2785 8.4964 8.4964 8.6622 8.6622 9.0925 9.0925 9.6085 9.6085 11.1899 11.1899 12.9283 12.9283 13.0951 13.0951 14.5827 14.5827 k = 0.5173 0.4563-0.2245 ( 2720 PWs) bands (ev): -2.9632 -2.9632 -2.0663 -2.0663 -1.0602 -1.0602 1.2876 1.2876 3.3752 3.3752 3.7995 3.7995 4.7382 4.7382 5.2952 5.2952 6.3884 6.3884 6.4715 6.4715 6.9201 6.9201 7.6495 7.6495 7.8139 7.8139 7.9357 7.9357 8.1403 8.1403 8.2928 8.2928 8.4940 8.4940 8.6604 8.6604 9.0825 9.0825 9.5912 9.5912 11.1790 11.1790 12.8561 12.8561 13.1651 13.1651 14.5650 14.5650 k = 0.5165 0.4556-0.2112 ( 2717 PWs) bands (ev): -2.9605 -2.9605 -2.1082 -2.1082 -0.9890 -0.9890 1.2736 1.2736 3.3306 3.3306 3.8294 3.8294 4.6355 4.6355 5.3371 5.3371 6.3778 6.3778 6.4724 6.4724 6.9305 6.9305 7.6743 7.6743 7.8707 7.8707 7.9455 7.9455 8.1537 8.1537 8.3088 8.3088 8.4916 8.4916 8.6587 8.6587 9.0707 9.0707 9.5723 9.5723 11.1769 11.1769 12.7855 12.7855 13.2358 13.2358 14.5521 14.5521 k = 0.5157 0.4548-0.1979 ( 2719 PWs) bands (ev): -2.9569 -2.9569 -2.1492 -2.1492 -0.9168 -0.9168 1.2588 1.2588 3.2842 3.2842 3.8603 3.8603 4.5367 4.5367 5.3839 5.3839 6.3616 6.3616 6.4734 6.4734 6.9402 6.9402 7.6845 7.6845 7.9230 7.9230 7.9652 7.9652 8.1685 8.1685 8.3266 8.3266 8.4894 8.4894 8.6570 8.6570 9.0570 9.0570 9.5514 9.5514 11.1842 11.1842 12.7181 12.7181 13.3066 13.3066 14.5432 14.5432 k = 0.5149 0.4541-0.1846 ( 2721 PWs) bands (ev): -2.9526 -2.9526 -2.1894 -2.1894 -0.8436 -0.8436 1.2429 1.2429 3.2368 3.2368 3.8904 3.8904 4.4438 4.4438 5.4353 5.4353 6.3397 6.3397 6.4748 6.4748 6.9494 6.9494 7.6880 7.6880 7.9463 7.9463 8.0102 8.0102 8.1848 8.1848 8.3460 8.3460 8.4878 8.4878 8.6556 8.6556 9.0416 9.0416 9.5283 9.5283 11.2013 11.2013 12.6560 12.6560 13.3770 13.3770 14.5368 14.5368 k = 0.5140 0.4534-0.1713 ( 2723 PWs) bands (ev): -2.9475 -2.9475 -2.2286 -2.2286 -0.7696 -0.7696 1.2257 1.2257 3.1894 3.1894 3.9162 3.9162 4.3606 4.3606 5.4908 5.4908 6.3123 6.3123 6.4764 6.4764 6.9578 6.9578 7.6881 7.6881 7.9575 7.9575 8.0594 8.0594 8.2026 8.2026 8.3663 8.3663 8.4873 8.4873 8.6544 8.6544 9.0249 9.0249 9.5028 9.5028 11.2284 11.2284 12.6006 12.6006 13.4466 13.4466 14.5313 14.5313 k = 0.5132 0.4527-0.1579 ( 2727 PWs) bands (ev): -2.9416 -2.9416 -2.2669 -2.2669 -0.6949 -0.6949 1.2070 1.2070 3.1427 3.1427 3.9303 3.9303 4.2943 4.2943 5.5497 5.5497 6.2793 6.2793 6.4780 6.4780 6.9657 6.9657 7.6857 7.6857 7.9669 7.9669 8.1014 8.1014 8.2215 8.2215 8.3859 8.3859 8.4889 8.4889 8.6534 8.6534 9.0072 9.0072 9.4747 9.4747 11.2651 11.2651 12.5533 12.5533 13.5150 13.5150 14.5246 14.5246 k = 0.5124 0.4519-0.1446 ( 2727 PWs) bands (ev): -2.9350 -2.9350 -2.3041 -2.3041 -0.6195 -0.6195 1.1863 1.1863 3.0976 3.0976 3.9216 3.9216 4.2565 4.2565 5.6113 5.6113 6.2410 6.2410 6.4798 6.4798 6.9733 6.9733 7.6816 7.6816 7.9762 7.9762 8.1355 8.1355 8.2412 8.2412 8.4024 8.4024 8.4939 8.4939 8.6528 8.6528 8.9888 8.9888 9.4437 9.4437 11.3110 11.3110 12.5154 12.5154 13.5820 13.5820 14.5148 14.5148 k = 0.5116 0.4512-0.1313 ( 2723 PWs) bands (ev): -2.9275 -2.9275 -2.3403 -2.3403 -0.5437 -0.5437 1.1635 1.1635 3.0549 3.0549 3.8835 3.8835 4.2536 4.2536 5.6747 5.6747 6.1979 6.1979 6.4816 6.4816 6.9810 6.9810 7.6758 7.6758 7.9857 7.9857 8.1627 8.1627 8.2606 8.2606 8.4135 8.4135 8.5031 8.5031 8.6524 8.6524 8.9702 8.9702 9.4099 9.4099 11.3655 11.3655 12.4874 12.4874 13.6473 13.6473 14.5005 14.5005 k = 0.5107 0.4505-0.1180 ( 2717 PWs) bands (ev): -2.9192 -2.9192 -2.3753 -2.3753 -0.4674 -0.4674 1.1382 1.1382 3.0155 3.0155 3.8234 3.8234 4.2786 4.2786 5.7385 5.7385 6.1510 6.1510 6.4833 6.4833 6.9892 6.9892 7.6682 7.6682 7.9956 7.9956 8.1850 8.1850 8.2791 8.2791 8.4187 8.4187 8.5150 8.5150 8.6522 8.6522 8.9520 8.9520 9.3731 9.3731 11.4279 11.4279 12.4695 12.4695 13.7108 13.7108 14.4805 14.4805 k = 0.5099 0.4498-0.1047 ( 2715 PWs) bands (ev): -2.9101 -2.9101 -2.4093 -2.4093 -0.3908 -0.3908 1.1101 1.1101 2.9800 2.9800 3.7522 3.7522 4.3204 4.3204 5.8003 5.8003 6.1020 6.1020 6.4848 6.4848 6.9983 6.9983 7.6589 7.6589 8.0060 8.0060 8.2039 8.2039 8.2964 8.2964 8.4195 8.4195 8.5271 8.5271 8.6517 8.6517 8.9344 8.9344 9.3338 9.3338 11.4971 11.4971 12.4613 12.4613 13.7720 13.7720 14.4547 14.4547 k = 0.5091 0.4490-0.0914 ( 2711 PWs) bands (ev): -2.9002 -2.9002 -2.4422 -2.4422 -0.3140 -0.3140 1.0788 1.0788 2.9492 2.9492 3.6769 3.6769 4.3721 4.3721 5.8540 5.8540 6.0568 6.0568 6.4860 6.4860 7.0089 7.0089 7.6475 7.6475 8.0169 8.0169 8.2203 8.2203 8.3121 8.3121 8.4175 8.4175 8.5370 8.5370 8.6508 8.6508 8.9182 8.9182 9.2925 9.2925 11.5723 11.5723 12.4620 12.4620 13.8308 13.8308 14.4238 14.4238 k = 0.5083 0.4483-0.0780 ( 2705 PWs) bands (ev): -2.8894 -2.8894 -2.4740 -2.4740 -0.2370 -0.2370 1.0441 1.0441 2.9235 2.9235 3.6009 3.6009 4.4303 4.4303 5.8793 5.8793 6.0350 6.0350 6.4867 6.4867 7.0216 7.0216 7.6338 7.6338 8.0286 8.0286 8.2349 8.2349 8.3264 8.3264 8.4137 8.4137 8.5434 8.5434 8.6491 8.6491 8.9037 8.9037 9.2500 9.2500 11.6523 11.6523 12.4701 12.4701 13.8866 13.8866 14.3890 14.3890 k = 0.5074 0.4476-0.0647 ( 2703 PWs) bands (ev): -2.8778 -2.8778 -2.5047 -2.5047 -0.1601 -0.1601 1.0058 1.0058 2.9035 2.9035 3.5260 3.5260 4.4934 4.4934 5.8529 5.8529 6.0595 6.0595 6.4869 6.4869 7.0369 7.0369 7.6177 7.6177 8.0411 8.0411 8.2479 8.2479 8.3388 8.3388 8.4086 8.4086 8.5460 8.5460 8.6462 8.6462 8.8916 8.8916 9.2070 9.2070 11.7361 11.7361 12.4839 12.4839 13.9388 13.9388 14.3516 14.3516 k = 0.5066 0.4468-0.0514 ( 2706 PWs) bands (ev): -2.8653 -2.8653 -2.5342 -2.5342 -0.0834 -0.0834 0.9639 0.9639 2.8895 2.8895 3.4532 3.4532 4.5601 4.5601 5.7961 5.7961 6.1084 6.1084 6.4863 6.4863 7.0554 7.0554 7.5989 7.5989 8.0546 8.0546 8.2592 8.2592 8.3491 8.3491 8.4028 8.4028 8.5452 8.5452 8.6419 8.6419 8.8822 8.8822 9.1646 9.1646 11.8225 11.8225 12.5009 12.5009 13.9867 13.9867 14.3135 14.3135 k = 0.5058 0.4461-0.0381 ( 2700 PWs) bands (ev): -2.8519 -2.8519 -2.5627 -2.5627 -0.0069 -0.0069 0.9182 0.9182 2.8818 2.8818 3.3833 3.3833 4.6300 4.6300 5.7282 5.7282 6.1620 6.1620 6.4848 6.4848 7.0777 7.0777 7.5772 7.5772 8.0692 8.0692 8.2689 8.2689 8.3566 8.3566 8.3966 8.3966 8.5421 8.5421 8.6360 8.6360 8.8760 8.8760 9.1239 9.1239 11.9103 11.9103 12.5185 12.5185 14.0297 14.0297 14.2763 14.2763 k = 0.5050 0.4454-0.0248 ( 2695 PWs) bands (ev): -2.8376 -2.8376 -2.5901 -2.5901 0.0692 0.0692 0.8688 0.8688 2.8805 2.8805 3.3166 3.3166 4.7026 4.7026 5.6549 5.6549 6.2140 6.2140 6.4822 6.4822 7.1040 7.1040 7.5522 7.5522 8.0850 8.0850 8.2763 8.2763 8.3599 8.3599 8.3911 8.3911 8.5382 8.5382 8.6285 8.6285 8.8732 8.8732 9.0856 9.0856 11.9982 11.9982 12.5339 12.5339 14.0667 14.0667 14.2420 14.2420 k = 0.5041 0.4447-0.0115 ( 2691 PWs) bands (ev): -2.8224 -2.8224 -2.6164 -2.6164 0.1446 0.1446 0.8159 0.8159 2.8856 2.8856 3.2536 3.2536 4.7774 4.7774 5.5783 5.5783 6.2620 6.2620 6.4781 6.4781 7.1345 7.1345 7.5238 7.5238 8.1022 8.1022 8.2800 8.2800 8.3586 8.3586 8.3873 8.3873 8.5353 8.5353 8.6194 8.6194 8.8738 8.8738 9.0504 9.0504 12.0848 12.0848 12.5441 12.5441 14.0968 14.0968 14.2121 14.2121 k = 0.5033 0.4439 0.0018 ( 2686 PWs) bands (ev): -2.8062 -2.8062 -2.6416 -2.6416 0.2193 0.2193 0.7596 0.7596 2.8971 2.8971 3.1945 3.1945 4.8542 4.8542 5.4995 5.4995 6.3050 6.3050 6.4722 6.4722 7.1692 7.1692 7.4919 7.4919 8.1208 8.1208 8.2780 8.2780 8.3555 8.3555 8.3844 8.3844 8.5351 8.5351 8.6090 8.6090 8.8777 8.8777 9.0186 9.0186 12.1686 12.1686 12.5462 12.5462 14.1195 14.1195 14.1879 14.1879 k = 0.5025 0.4432 0.0152 ( 2689 PWs) bands (ev): -2.7891 -2.7891 -2.6658 -2.6658 0.2930 0.2930 0.7001 0.7001 2.9148 2.9148 3.1396 3.1396 4.9326 4.9326 5.4192 5.4192 6.3425 6.3425 6.4642 6.4642 7.2074 7.2074 7.4565 7.4565 8.1409 8.1409 8.2685 8.2685 8.3541 8.3541 8.3809 8.3809 8.5380 8.5380 8.5978 8.5978 8.8849 8.8849 8.9901 8.9901 12.2478 12.2478 12.5381 12.5381 14.1349 14.1349 14.1703 14.1703 k = 0.5017 0.4425 0.0285 ( 2689 PWs) bands (ev): -2.7711 -2.7711 -2.6889 -2.6889 0.3654 0.3654 0.6378 0.6378 2.9385 2.9385 3.0893 3.0893 5.0123 5.0123 5.3380 5.3380 6.3743 6.3743 6.4536 6.4536 7.2484 7.2484 7.4180 7.4180 8.1624 8.1624 8.2521 8.2521 8.3560 8.3560 8.3763 8.3763 8.5441 8.5441 8.5861 8.5861 8.8951 8.8951 8.9650 8.9650 12.3209 12.3209 12.5182 12.5182 14.1438 14.1438 14.1591 14.1591 k = 0.5008 0.4417 0.0418 ( 2685 PWs) bands (ev): -2.7520 -2.7520 -2.7110 -2.7110 0.4364 0.4364 0.5728 0.5728 2.9681 2.9681 3.0438 3.0438 5.0931 5.0931 5.2563 5.2563 6.4009 6.4009 6.4399 6.4399 7.2912 7.2912 7.3771 7.3771 8.1851 8.1851 8.2313 8.2313 8.3602 8.3602 8.3710 8.3710 8.5527 8.5527 8.5743 8.5743 8.9082 8.9082 8.9432 8.9432 12.3861 12.3861 12.4860 12.4860 14.1480 14.1480 14.1531 14.1531 k = 0.5000 0.4410 0.0551 ( 2694 PWs) bands (ev): -2.7320 -2.7320 -2.7320 -2.7320 0.5056 0.5056 0.5056 0.5056 3.0032 3.0032 3.0033 3.0033 5.1744 5.1744 5.1745 5.1745 6.4222 6.4222 6.4228 6.4228 7.3341 7.3341 7.3348 7.3348 8.2080 8.2080 8.2087 8.2087 8.3648 8.3648 8.3659 8.3659 8.5623 8.5623 8.5634 8.5634 8.9237 8.9237 8.9247 8.9247 12.4414 12.4414 12.4417 12.4417 14.1501 14.1501 14.1502 14.1502 k = 0.5000 0.4410 0.0551 ( 2694 PWs) bands (ev): -2.7320 -2.7320 -2.7320 -2.7320 0.5056 0.5056 0.5056 0.5056 3.0032 3.0032 3.0033 3.0033 5.1744 5.1744 5.1745 5.1745 6.4222 6.4222 6.4228 6.4228 7.3341 7.3341 7.3348 7.3348 8.2080 8.2080 8.2087 8.2087 8.3648 8.3648 8.3659 8.3659 8.5623 8.5623 8.5634 8.5634 8.9237 8.9237 8.9247 8.9247 12.4414 12.4414 12.4417 12.4417 14.1501 14.1501 14.1502 14.1502 k = 0.5085 0.4314 0.0551 ( 2696 PWs) bands (ev): -2.7323 -2.7323 -2.7322 -2.7322 0.5038 0.5038 0.5039 0.5039 3.0061 3.0061 3.0062 3.0062 5.1752 5.1752 5.1755 5.1755 6.4229 6.4229 6.4239 6.4239 7.3345 7.3345 7.3371 7.3371 8.2055 8.2055 8.2080 8.2080 8.3653 8.3653 8.3667 8.3667 8.5620 8.5620 8.5637 8.5637 8.9235 8.9235 8.9248 8.9248 12.4360 12.4360 12.4365 12.4365 14.1536 14.1536 14.1540 14.1540 k = 0.5170 0.4217 0.0551 ( 2694 PWs) bands (ev): -2.7331 -2.7331 -2.7329 -2.7329 0.4986 0.4986 0.4988 0.4988 3.0147 3.0147 3.0148 3.0148 5.1778 5.1778 5.1783 5.1783 6.4253 6.4253 6.4272 6.4272 7.3374 7.3374 7.3423 7.3423 8.1997 8.1997 8.2043 8.2043 8.3668 8.3668 8.3685 8.3685 8.5613 8.5613 8.5640 8.5640 8.9234 8.9234 8.9249 8.9249 12.4201 12.4201 12.4211 12.4211 14.1640 14.1640 14.1646 14.1646 k = 0.5256 0.4120 0.0551 ( 2696 PWs) bands (ev): -2.7344 -2.7344 -2.7342 -2.7342 0.4901 0.4901 0.4905 0.4905 3.0288 3.0288 3.0290 3.0290 5.1821 5.1821 5.1829 5.1829 6.4296 6.4296 6.4323 6.4323 7.3429 7.3429 7.3503 7.3503 8.1911 8.1911 8.1975 8.1975 8.3694 8.3694 8.3711 8.3711 8.5604 8.5604 8.5644 8.5644 8.9231 8.9231 8.9251 8.9251 12.3945 12.3945 12.3959 12.3959 14.1801 14.1801 14.1810 14.1810 k = 0.5341 0.4024 0.0551 ( 2700 PWs) bands (ev): -2.7362 -2.7362 -2.7360 -2.7360 0.4787 0.4787 0.4791 0.4791 3.0483 3.0483 3.0485 3.0485 5.1882 5.1882 5.1893 5.1893 6.4358 6.4358 6.4392 6.4392 7.3511 7.3511 7.3609 7.3609 8.1801 8.1801 8.1878 8.1878 8.3728 8.3728 8.3741 8.3741 8.5594 8.5594 8.5646 8.5646 8.9228 8.9228 8.9252 8.9252 12.3600 12.3600 12.3617 12.3617 14.2000 14.2000 14.2011 14.2011 k = 0.5426 0.3927 0.0551 ( 2702 PWs) bands (ev): -2.7387 -2.7387 -2.7383 -2.7383 0.4646 0.4646 0.4652 0.4652 3.0727 3.0727 3.0729 3.0729 5.1961 5.1961 5.1974 5.1974 6.4439 6.4439 6.4480 6.4480 7.3620 7.3620 7.3740 7.3740 8.1670 8.1670 8.1754 8.1754 8.3766 8.3766 8.3776 8.3776 8.5584 8.5584 8.5649 8.5649 8.9226 8.9226 8.9252 8.9252 12.3177 12.3177 12.3198 12.3198 14.2216 14.2216 14.2228 14.2228 k = 0.5511 0.3831 0.0551 ( 2702 PWs) bands (ev): -2.7417 -2.7417 -2.7413 -2.7413 0.4483 0.4483 0.4489 0.4489 3.1017 3.1017 3.1020 3.1020 5.2056 5.2056 5.2071 5.2071 6.4538 6.4538 6.4587 6.4587 7.3753 7.3753 7.3895 7.3895 8.1520 8.1520 8.1608 8.1608 8.3798 8.3798 8.3819 8.3819 8.5575 8.5575 8.5652 8.5652 8.9224 8.9224 8.9252 8.9252 12.2688 12.2688 12.2712 12.2712 14.2418 14.2418 14.2429 14.2429 k = 0.5596 0.3734 0.0551 ( 2704 PWs) bands (ev): -2.7455 -2.7455 -2.7450 -2.7450 0.4302 0.4302 0.4310 0.4310 3.1349 3.1349 3.1352 3.1352 5.2168 5.2168 5.2186 5.2186 6.4656 6.4656 6.4710 6.4710 7.3910 7.3910 7.4074 7.4074 8.1354 8.1354 8.1441 8.1441 8.3826 8.3826 8.3866 8.3866 8.5567 8.5567 8.5656 8.5656 8.9222 8.9222 8.9251 8.9251 12.2143 12.2143 12.2170 12.2170 14.2574 14.2574 14.2583 14.2583 k = 0.5681 0.3638 0.0551 ( 2704 PWs) bands (ev): -2.7500 -2.7500 -2.7494 -2.7494 0.4109 0.4109 0.4117 0.4117 3.1717 3.1717 3.1721 3.1721 5.2296 5.2296 5.2316 5.2316 6.4791 6.4791 6.4851 6.4851 7.4090 7.4090 7.4273 7.4273 8.1174 8.1174 8.1257 8.1257 8.3850 8.3850 8.3913 8.3913 8.5561 8.5561 8.5662 8.5662 8.9221 8.9221 8.9248 8.9248 12.1553 12.1553 12.1581 12.1581 14.2655 14.2655 14.2658 14.2658 k = 0.5767 0.3541 0.0551 ( 2702 PWs) bands (ev): -2.7553 -2.7553 -2.7547 -2.7547 0.3908 0.3908 0.3917 0.3917 3.2118 3.2118 3.2122 3.2122 5.2439 5.2439 5.2462 5.2462 6.4945 6.4945 6.5008 6.5008 7.4289 7.4289 7.4489 7.4489 8.0984 8.0984 8.1060 8.1060 8.3869 8.3869 8.3958 8.3958 8.5560 8.5560 8.5671 8.5671 8.9221 8.9221 8.9245 8.9245 12.0926 12.0926 12.0956 12.0956 14.2628 14.2628 14.2634 14.2634 k = 0.5852 0.3444 0.0551 ( 2702 PWs) bands (ev): -2.7615 -2.7615 -2.7608 -2.7608 0.3704 0.3704 0.3714 0.3714 3.2547 3.2547 3.2552 3.2552 5.2596 5.2596 5.2622 5.2622 6.5115 6.5115 6.5182 6.5182 7.4504 7.4504 7.4719 7.4719 8.0786 8.0786 8.0852 8.0852 8.3882 8.3882 8.3998 8.3998 8.5563 8.5563 8.5682 8.5682 8.9222 8.9222 8.9240 8.9240 12.0269 12.0269 12.0301 12.0301 14.2479 14.2479 14.2497 14.2497 k = 0.5937 0.3348 0.0551 ( 2702 PWs) bands (ev): -2.7687 -2.7687 -2.7679 -2.7679 0.3503 0.3503 0.3514 0.3514 3.2999 3.2999 3.3004 3.3004 5.2768 5.2768 5.2796 5.2796 6.5303 6.5303 6.5372 6.5372 7.4731 7.4731 7.4958 7.4958 8.0586 8.0586 8.0639 8.0639 8.3889 8.3889 8.4033 8.4033 8.5573 8.5573 8.5697 8.5697 8.9223 8.9223 8.9235 8.9235 11.9591 11.9591 11.9624 11.9624 14.2214 14.2214 14.2245 14.2245 k = 0.6022 0.3251 0.0551 ( 2708 PWs) bands (ev): -2.7769 -2.7769 -2.7761 -2.7761 0.3309 0.3309 0.3321 0.3321 3.3470 3.3470 3.3476 3.3476 5.2952 5.2952 5.2983 5.2983 6.5507 6.5507 6.5576 6.5576 7.4961 7.4961 7.5195 7.5195 8.0391 8.0391 8.0426 8.0426 8.3888 8.3888 8.4060 8.4060 8.5591 8.5591 8.5716 8.5716 8.9223 8.9223 8.9231 8.9231 11.8896 11.8896 11.8930 11.8930 14.1845 14.1845 14.1889 14.1889 k = 0.6107 0.3155 0.0551 ( 2712 PWs) bands (ev): -2.7862 -2.7862 -2.7854 -2.7854 0.3127 0.3127 0.3139 0.3139 3.3956 3.3956 3.3963 3.3963 5.3149 5.3149 5.3182 5.3182 6.5727 6.5727 6.5796 6.5796 7.5188 7.5188 7.5423 7.5423 8.0210 8.0210 8.0223 8.0223 8.3881 8.3881 8.4078 8.4078 8.5617 8.5617 8.5739 8.5739 8.9215 8.9215 8.9234 8.9234 11.8190 11.8190 11.8225 11.8225 14.1392 14.1392 14.1450 14.1450 k = 0.6193 0.3058 0.0551 ( 2720 PWs) bands (ev): -2.7967 -2.7967 -2.7959 -2.7959 0.2960 0.2960 0.2974 0.2974 3.4454 3.4454 3.4462 3.4462 5.3356 5.3356 5.3392 5.3392 6.5962 6.5962 6.6029 6.6029 7.5397 7.5397 7.5627 7.5627 8.0038 8.0038 8.0056 8.0056 8.3865 8.3865 8.4087 8.4087 8.5652 8.5652 8.5765 8.5765 8.9205 8.9205 8.9239 8.9239 11.7477 11.7477 11.7513 11.7513 14.0875 14.0875 14.0946 14.0946 k = 0.6278 0.2961 0.0551 ( 2722 PWs) bands (ev): -2.8085 -2.8085 -2.8076 -2.8076 0.2814 0.2814 0.2828 0.2828 3.4960 3.4960 3.4969 3.4969 5.3574 5.3574 5.3612 5.3612 6.6211 6.6211 6.6276 6.6276 7.5575 7.5575 7.5789 7.5789 7.9888 7.9888 7.9942 7.9942 8.3843 8.3843 8.4085 8.4085 8.5697 8.5697 8.5796 8.5796 8.9194 8.9194 8.9248 8.9248 11.6763 11.6763 11.6800 11.6800 14.0312 14.0312 14.0395 14.0395 k = 0.6363 0.2865 0.0551 ( 2722 PWs) bands (ev): -2.8215 -2.8215 -2.8206 -2.8206 0.2690 0.2690 0.2705 0.2705 3.5472 3.5472 3.5482 3.5482 5.3801 5.3801 5.3841 5.3841 6.6475 6.6475 6.6535 6.6535 7.5702 7.5702 7.5891 7.5891 7.9787 7.9787 7.9887 7.9887 8.3814 8.3814 8.4074 8.4074 8.5749 8.5749 8.5830 8.5830 8.9182 8.9182 8.9259 8.9259 11.6052 11.6052 11.6090 11.6090 13.9715 13.9715 13.9810 13.9810 k = 0.3637-0.4124 0.4332 ( 2722 PWs) bands (ev): -2.8215 -2.8215 -2.8206 -2.8206 0.2690 0.2690 0.2705 0.2705 3.5472 3.5472 3.5482 3.5482 5.3801 5.3801 5.3841 5.3841 6.6475 6.6475 6.6535 6.6535 7.5702 7.5702 7.5891 7.5891 7.9787 7.9787 7.9887 7.9887 8.3814 8.3814 8.4074 8.4074 8.5749 8.5749 8.5830 8.5830 8.9182 8.9182 8.9259 8.9259 11.6052 11.6052 11.6090 11.6090 13.9715 13.9715 13.9810 13.9810 k = 0.3548-0.4023 0.4332 ( 2724 PWs) bands (ev): -2.8365 -2.8365 -2.8355 -2.8355 0.2589 0.2589 0.2604 0.2604 3.6008 3.6008 3.6020 3.6020 5.4046 5.4046 5.4089 5.4089 6.6763 6.6763 6.6817 6.6817 7.5762 7.5762 7.5916 7.5916 7.9751 7.9751 7.9905 7.9905 8.3775 8.3775 8.4051 8.4051 8.5811 8.5811 8.5868 8.5868 8.9170 8.9170 8.9274 8.9274 11.5319 11.5319 11.5359 11.5359 13.9068 13.9068 13.9176 13.9176 k = 0.3460-0.3922 0.4332 ( 2724 PWs) bands (ev): -2.8529 -2.8529 -2.8519 -2.8519 0.2520 0.2520 0.2535 0.2535 3.6545 3.6545 3.6558 3.6558 5.4298 5.4298 5.4343 5.4343 6.7064 6.7064 6.7111 6.7111 7.5736 7.5736 7.5850 7.5850 7.9795 7.9795 8.0003 8.0003 8.3730 8.3730 8.4018 8.4018 8.5876 8.5876 8.5908 8.5908 8.9161 8.9161 8.9294 8.9294 11.4599 11.4599 11.4642 11.4642 13.8405 13.8405 13.8524 13.8524 k = 0.3371-0.3822 0.4332 ( 2720 PWs) bands (ev): -2.8708 -2.8708 -2.8698 -2.8698 0.2484 0.2484 0.2500 0.2500 3.7081 3.7081 3.7095 3.7095 5.4557 5.4557 5.4604 5.4604 6.7375 6.7375 6.7414 6.7414 7.5622 7.5622 7.5700 7.5700 7.9915 7.9915 8.0171 8.0171 8.3678 8.3678 8.3976 8.3976 8.5941 8.5941 8.5947 8.5947 8.9156 8.9156 8.9319 8.9319 11.3899 11.3899 11.3944 11.3944 13.7730 13.7730 13.7860 13.7860 k = 0.3282-0.3721 0.4332 ( 2720 PWs) bands (ev): -2.8902 -2.8902 -2.8892 -2.8892 0.2484 0.2484 0.2501 0.2501 3.7614 3.7614 3.7629 3.7629 5.4820 5.4820 5.4869 5.4869 6.7695 6.7695 6.7724 6.7724 7.5432 7.5432 7.5481 7.5481 8.0098 8.0098 8.0390 8.0390 8.3620 8.3620 8.3926 8.3926 8.5981 8.5981 8.6002 8.6002 8.9159 8.9159 8.9352 8.9352 11.3224 11.3224 11.3273 11.3273 13.7048 13.7048 13.7188 13.7188 k = 0.3194-0.3621 0.4332 ( 2724 PWs) bands (ev): -2.9110 -2.9110 -2.9099 -2.9099 0.2522 0.2522 0.2538 0.2538 3.8142 3.8142 3.8159 3.8159 5.5086 5.5086 5.5138 5.5138 6.8020 6.8020 6.8038 6.8038 7.5183 7.5183 7.5209 7.5209 8.0320 8.0320 8.0636 8.0636 8.3558 8.3558 8.3867 8.3867 8.6008 8.6008 8.6050 8.6050 8.9174 8.9174 8.9394 8.9394 11.2582 11.2582 11.2634 11.2634 13.6363 13.6363 13.6512 13.6512 k = 0.3105-0.3520 0.4332 ( 2722 PWs) bands (ev): -2.9332 -2.9332 -2.9321 -2.9321 0.2597 0.2597 0.2614 0.2614 3.8664 3.8664 3.8683 3.8683 5.5355 5.5355 5.5409 5.5409 6.8347 6.8347 6.8353 6.8353 7.4894 7.4894 7.4903 7.4903 8.0564 8.0564 8.0889 8.0889 8.3494 8.3494 8.3800 8.3800 8.6025 8.6025 8.6079 8.6079 8.9206 8.9206 8.9447 8.9447 11.1979 11.1979 11.2035 11.2035 13.5679 13.5679 13.5836 13.5836 k = 0.3016-0.3419 0.4332 ( 2722 PWs) bands (ev): -2.9567 -2.9567 -2.9556 -2.9556 0.2712 0.2712 0.2729 0.2729 3.9179 3.9179 3.9201 3.9201 5.5624 5.5624 5.5680 5.5680 6.8660 6.8660 6.8670 6.8670 7.4577 7.4577 7.4587 7.4587 8.0808 8.0808 8.1126 8.1126 8.3432 8.3432 8.3726 8.3726 8.6027 8.6027 8.6083 8.6083 8.9259 8.9259 8.9512 8.9512 11.1422 11.1422 11.1483 11.1483 13.4998 13.4998 13.5161 13.5161 k = 0.2927-0.3319 0.4332 ( 2716 PWs) bands (ev): -2.9813 -2.9813 -2.9802 -2.9802 0.2866 0.2866 0.2884 0.2884 3.9687 3.9687 3.9711 3.9711 5.5892 5.5892 5.5950 5.5950 6.8955 6.8955 6.8979 6.8979 7.4252 7.4252 7.4273 7.4273 8.1039 8.1039 8.1328 8.1328 8.3378 8.3378 8.3645 8.3645 8.6011 8.6011 8.6056 8.6056 8.9335 8.9335 8.9591 8.9591 11.0921 11.0921 11.0986 11.0986 13.4324 13.4324 13.4492 13.4492 k = 0.2839-0.3218 0.4332 ( 2716 PWs) bands (ev): -3.0071 -3.0071 -3.0060 -3.0060 0.3060 0.3060 0.3078 0.3078 4.0187 4.0187 4.0212 4.0212 5.6158 5.6158 5.6218 5.6218 6.9222 6.9222 6.9260 6.9260 7.3945 7.3945 7.3974 7.3974 8.1241 8.1241 8.1477 8.1477 8.3337 8.3337 8.3555 8.3555 8.5972 8.5972 8.5996 8.5996 8.9434 8.9434 8.9683 8.9683 11.0480 11.0480 11.0550 11.0550 13.3661 13.3661 13.3832 13.3832 k = 0.2750-0.3118 0.4332 ( 2716 PWs) bands (ev): -3.0339 -3.0339 -3.0328 -3.0328 0.3293 0.3293 0.3311 0.3311 4.0677 4.0677 4.0704 4.0704 5.6419 5.6419 5.6481 5.6481 6.9442 6.9442 6.9495 6.9495 7.3679 7.3679 7.3715 7.3715 8.1404 8.1404 8.1556 8.1556 8.3317 8.3317 8.3458 8.3458 8.5904 8.5904 8.5914 8.5914 8.9555 8.9555 8.9786 8.9786 11.0108 11.0108 11.0181 11.0181 13.3013 13.3013 13.3184 13.3184 k = 0.2661-0.3017 0.4332 ( 2714 PWs) bands (ev): -3.0616 -3.0616 -3.0605 -3.0605 0.3564 0.3564 0.3582 0.3582 4.1158 4.1158 4.1187 4.1187 5.6674 5.6674 5.6738 5.6738 6.9593 6.9593 6.9656 6.9656 7.3485 7.3485 7.3521 7.3521 8.1515 8.1515 8.1554 8.1554 8.3321 8.3321 8.3354 8.3354 8.5793 8.5793 8.5831 8.5831 8.9691 8.9691 8.9898 8.9898 10.9808 10.9808 10.9885 10.9885 13.2383 13.2383 13.2553 13.2553 k = 0.2573-0.2917 0.4332 ( 2718 PWs) bands (ev): -3.0899 -3.0899 -3.0889 -3.0889 0.3872 0.3872 0.3890 0.3890 4.1628 4.1628 4.1660 4.1660 5.6921 5.6921 5.6987 5.6987 6.9649 6.9649 6.9715 6.9715 7.3392 7.3392 7.3422 7.3422 8.1471 8.1471 8.1561 8.1561 8.3243 8.3243 8.3344 8.3344 8.5668 8.5668 8.5730 8.5730 8.9834 8.9834 9.0012 9.0012 10.9585 10.9585 10.9663 10.9663 13.1777 13.1777 13.1944 13.1944 k = 0.2484-0.2816 0.4332 ( 2716 PWs) bands (ev): -3.1188 -3.1188 -3.1178 -3.1178 0.4216 0.4216 0.4235 0.4235 4.2089 4.2089 4.2122 4.2122 5.7157 5.7157 5.7226 5.7226 6.9593 6.9593 6.9656 6.9656 7.3419 7.3419 7.3435 7.3435 8.1313 8.1313 8.1528 8.1528 8.3133 8.3133 8.3374 8.3374 8.5542 8.5542 8.5619 8.5619 8.9979 8.9979 9.0125 9.0125 10.9438 10.9438 10.9518 10.9518 13.1197 13.1197 13.1359 13.1359 k = 0.2395-0.2715 0.4332 ( 2718 PWs) bands (ev): -3.1482 -3.1482 -3.1472 -3.1472 0.4596 0.4596 0.4614 0.4614 4.2538 4.2538 4.2573 4.2573 5.7380 5.7380 5.7451 5.7451 6.9431 6.9431 6.9484 6.9484 7.3552 7.3552 7.3566 7.3566 8.1087 8.1087 8.1407 8.1407 8.3029 8.3029 8.3398 8.3398 8.5427 8.5427 8.5503 8.5503 9.0117 9.0117 9.0231 9.0231 10.9367 10.9367 10.9448 10.9448 13.0648 13.0648 13.0804 13.0804 k = 0.2306-0.2615 0.4332 ( 2720 PWs) bands (ev): -3.1779 -3.1779 -3.1769 -3.1769 0.5008 0.5008 0.5027 0.5027 4.2975 4.2975 4.3012 4.3012 5.7587 5.7587 5.7660 5.7660 6.9184 6.9184 6.9223 6.9223 7.3760 7.3760 7.3800 7.3800 8.0804 8.0804 8.1194 8.1194 8.2935 8.2935 8.3408 8.3408 8.5331 8.5331 8.5391 8.5391 9.0244 9.0244 9.0328 9.0328 10.9368 10.9368 10.9448 10.9448 13.0133 13.0133 13.0280 13.0280 k = 0.2218-0.2514 0.4332 ( 2720 PWs) bands (ev): -3.2076 -3.2076 -3.2067 -3.2067 0.5453 0.5453 0.5471 0.5471 4.3399 4.3399 4.3439 4.3439 5.7774 5.7774 5.7849 5.7849 6.8877 6.8877 6.8903 6.8903 7.4027 7.4027 7.4098 7.4098 8.0472 8.0472 8.0897 8.0897 8.2850 8.2850 8.3397 8.3397 8.5256 8.5256 8.5289 8.5289 9.0356 9.0356 9.0412 9.0412 10.9434 10.9434 10.9513 10.9513 12.9654 12.9654 12.9791 12.9791 k = 0.2129-0.2414 0.4332 ( 2718 PWs) bands (ev): -3.2374 -3.2374 -3.2365 -3.2365 0.5926 0.5926 0.5945 0.5945 4.3810 4.3810 4.3851 4.3851 5.7938 5.7938 5.8016 5.8016 6.8535 6.8535 6.8549 6.8549 7.4326 7.4326 7.4433 7.4433 8.0102 8.0102 8.0537 8.0537 8.2770 8.2770 8.3365 8.3365 8.5198 8.5198 8.5204 8.5204 9.0451 9.0451 9.0483 9.0483 10.9559 10.9559 10.9637 10.9637 12.9213 12.9213 12.9338 12.9338 k = 0.2040-0.2313 0.4332 ( 2712 PWs) bands (ev): -3.2670 -3.2670 -3.2661 -3.2661 0.6428 0.6428 0.6446 0.6446 4.4207 4.4207 4.4249 4.4249 5.8074 5.8074 5.8154 5.8154 6.8176 6.8176 6.8179 6.8179 7.4634 7.4634 7.4781 7.4781 7.9707 7.9707 8.0138 8.0138 8.2693 8.2693 8.3311 8.3311 8.5125 8.5125 8.5165 8.5165 9.0528 9.0528 9.0540 9.0540 10.9733 10.9733 10.9810 10.9810 12.8811 12.8811 12.8922 12.8922 k = 0.1952-0.2213 0.4332 ( 2716 PWs) bands (ev): -3.2963 -3.2963 -3.2954 -3.2954 0.6955 0.6955 0.6973 0.6973 4.4587 4.4587 4.4631 4.4631 5.8177 5.8177 5.8261 5.8261 6.7806 6.7806 6.7817 6.7817 7.4926 7.4926 7.5120 7.5120 7.9307 7.9307 7.9730 7.9730 8.2615 8.2615 8.3239 8.3239 8.5063 8.5063 8.5138 8.5138 9.0583 9.0583 9.0589 9.0589 10.9947 10.9947 11.0025 11.0025 12.8448 12.8448 12.8544 12.8544 k = 0.1863-0.2112 0.4332 ( 2718 PWs) bands (ev): -3.3251 -3.3251 -3.3243 -3.3243 0.7505 0.7505 0.7523 0.7523 4.4951 4.4951 4.4995 4.4995 5.8243 5.8243 5.8330 5.8330 6.7443 6.7443 6.7464 6.7464 7.5173 7.5173 7.5420 7.5420 7.8934 7.8934 7.9350 7.9350 8.2536 8.2536 8.3153 8.3153 8.5010 8.5010 8.5118 8.5118 9.0616 9.0616 9.0634 9.0634 11.0193 11.0193 11.0272 11.0272 12.8125 12.8125 12.8205 12.8205 k = 0.1774-0.2011 0.4332 ( 2722 PWs) bands (ev): -3.3535 -3.3535 -3.3527 -3.3527 0.8076 0.8076 0.8094 0.8094 4.5294 4.5294 4.5339 4.5339 5.8268 5.8268 5.8359 5.8359 6.7097 6.7097 6.7128 6.7128 7.5337 7.5337 7.5640 7.5640 7.8631 7.8631 7.9044 7.9044 8.2455 8.2455 8.3057 8.3057 8.4962 8.4962 8.5099 8.5099 9.0640 9.0640 9.0667 9.0667 11.0464 11.0464 11.0546 11.0546 12.7841 12.7841 12.7903 12.7903 k = 0.1685-0.1911 0.4332 ( 2728 PWs) bands (ev): -3.3811 -3.3811 -3.3803 -3.3803 0.8664 0.8664 0.8682 0.8682 4.5616 4.5616 4.5661 4.5661 5.8249 5.8249 5.8345 5.8345 6.6774 6.6774 6.6814 6.6814 7.5380 7.5380 7.5726 7.5726 7.8458 7.8458 7.8856 7.8856 8.2373 8.2373 8.2954 8.2954 8.4915 8.4915 8.5078 8.5078 9.0659 9.0659 9.0690 9.0690 11.0753 11.0753 11.0839 11.0839 12.7593 12.7593 12.7636 12.7636 k = 0.1597-0.1810 0.4332 ( 2730 PWs) bands (ev): -3.4079 -3.4079 -3.4072 -3.4072 0.9268 0.9268 0.9286 0.9286 4.5914 4.5914 4.5958 4.5958 5.8186 5.8186 5.8286 5.8286 6.6479 6.6479 6.6527 6.6527 7.5283 7.5283 7.5646 7.5646 7.8454 7.8454 7.8815 7.8815 8.2291 8.2291 8.2846 8.2846 8.4866 8.4866 8.5051 8.5051 9.0675 9.0675 9.0708 9.0708 11.1055 11.1055 11.1145 11.1145 12.7381 12.7381 12.7405 12.7405 k = 0.1508-0.1710 0.4332 ( 2732 PWs) bands (ev): -3.4339 -3.4339 -3.4332 -3.4332 0.9884 0.9884 0.9901 0.9901 4.6184 4.6184 4.6228 4.6228 5.8079 5.8079 5.8184 5.8184 6.6211 6.6211 6.6267 6.6267 7.5065 7.5065 7.5425 7.5425 7.8599 7.8599 7.8907 7.8907 8.2210 8.2210 8.2736 8.2736 8.4813 8.4813 8.5017 8.5017 9.0691 9.0691 9.0725 9.0725 11.1365 11.1365 11.1460 11.1460 12.7202 12.7202 12.7205 12.7205 k = 0.1419-0.1609 0.4332 ( 2736 PWs) bands (ev): -3.4588 -3.4588 -3.4582 -3.4582 1.0508 1.0508 1.0525 1.0525 4.6424 4.6424 4.6466 4.6466 5.7934 5.7934 5.8043 5.8043 6.5970 6.5970 6.6031 6.6031 7.4773 7.4773 7.5123 7.5123 7.8838 7.8838 7.9091 7.9091 8.2132 8.2132 8.2625 8.2625 8.4753 8.4753 8.4971 8.4971 9.0712 9.0712 9.0743 9.0743 11.1681 11.1681 11.1782 11.1782 12.7036 12.7036 12.7054 12.7054 k = 0.1331-0.1509 0.4332 ( 2740 PWs) bands (ev): -3.4827 -3.4827 -3.4821 -3.4821 1.1137 1.1137 1.1154 1.1154 4.6628 4.6628 4.6668 4.6668 5.7758 5.7758 5.7871 5.7871 6.5751 6.5751 6.5816 6.5816 7.4451 7.4451 7.4793 7.4793 7.9121 7.9121 7.9325 7.9325 8.2058 8.2058 8.2515 8.2515 8.4687 8.4687 8.4914 8.4914 9.0739 9.0739 9.0767 9.0767 11.2000 11.2000 11.2107 11.2107 12.6893 12.6893 12.6933 12.6933 k = 0.1242-0.1408 0.4332 ( 2742 PWs) bands (ev): -3.5054 -3.5054 -3.5049 -3.5049 1.1767 1.1767 1.1784 1.1784 4.6794 4.6794 4.6832 4.6832 5.7560 5.7560 5.7678 5.7678 6.5549 6.5549 6.5615 6.5615 7.4134 7.4134 7.4470 7.4470 7.9417 7.9417 7.9579 7.9579 8.1992 8.1992 8.2408 8.2408 8.4612 8.4612 8.4845 8.4845 9.0776 9.0776 9.0800 9.0800 11.2321 11.2321 11.2435 11.2435 12.6775 12.6775 12.6836 12.6836 k = 0.1153-0.1307 0.4332 ( 2744 PWs) bands (ev): -3.5269 -3.5269 -3.5264 -3.5264 1.2393 1.2393 1.2410 1.2410 4.6918 4.6918 4.6953 4.6953 5.7354 5.7354 5.7474 5.7474 6.5357 6.5357 6.5423 6.5423 7.3845 7.3845 7.4176 7.4176 7.9705 7.9705 7.9827 7.9827 8.1939 8.1939 8.2308 8.2308 8.4531 8.4531 8.4762 8.4762 9.0823 9.0823 9.0843 9.0843 11.2644 11.2644 11.2763 11.2763 12.6677 12.6677 12.6760 12.6760 k = 0.1065-0.1207 0.4332 ( 2740 PWs) bands (ev): -3.5470 -3.5470 -3.5465 -3.5465 1.3012 1.3012 1.3028 1.3028 4.6995 4.6995 4.7028 4.7028 5.7150 5.7150 5.7273 5.7273 6.5169 6.5169 6.5231 6.5231 7.3598 7.3598 7.3921 7.3921 7.9970 7.9970 8.0051 8.0051 8.1906 8.1906 8.2220 8.2220 8.4442 8.4442 8.4668 8.4668 9.0883 9.0883 9.0899 9.0899 11.2967 11.2967 11.3091 11.3091 12.6597 12.6597 12.6702 12.6702 k = 0.0976-0.1106 0.4332 ( 2742 PWs) bands (ev): -3.5657 -3.5657 -3.5653 -3.5653 1.3617 1.3617 1.3632 1.3632 4.7026 4.7026 4.7055 4.7055 5.6960 5.6960 5.7083 5.7083 6.4979 6.4979 6.5037 6.5037 7.3400 7.3400 7.3713 7.3713 8.0197 8.0197 8.0232 8.0232 8.1903 8.1903 8.2150 8.2150 8.4348 8.4348 8.4562 8.4562 9.0953 9.0953 9.0966 9.0966 11.3290 11.3290 11.3418 11.3418 12.6529 12.6529 12.6656 12.6656 k = 0.0887-0.1006 0.4332 ( 2746 PWs) bands (ev): -3.5831 -3.5831 -3.5827 -3.5827 1.4203 1.4203 1.4218 1.4218 4.7010 4.7010 4.7036 4.7036 5.6793 5.6793 5.6916 5.6916 6.4787 6.4787 6.4837 6.4837 7.3253 7.3253 7.3552 7.3552 8.0358 8.0358 8.0374 8.0374 8.1938 8.1938 8.2110 8.2110 8.4249 8.4249 8.4446 8.4446 9.1035 9.1035 9.1045 9.1045 11.3612 11.3612 11.3742 11.3742 12.6469 12.6469 12.6619 12.6619 k = 0.0798-0.0905 0.4332 ( 2748 PWs) bands (ev): -3.5989 -3.5989 -3.5985 -3.5985 1.4763 1.4763 1.4778 1.4778 4.6950 4.6950 4.6973 4.6973 5.6657 5.6657 5.6777 5.6777 6.4590 6.4590 6.4632 6.4632 7.3156 7.3156 7.3438 7.3438 8.0427 8.0427 8.0488 8.0488 8.2013 8.2013 8.2109 8.2109 8.4148 8.4148 8.4323 8.4323 9.1125 9.1125 9.1133 9.1133 11.3931 11.3931 11.4061 11.4061 12.6414 12.6414 12.6584 12.6584 k = 0.0710-0.0805 0.4332 ( 2744 PWs) bands (ev): -3.6131 -3.6131 -3.6128 -3.6128 1.5292 1.5292 1.5306 1.5306 4.6852 4.6852 4.6873 4.6873 5.6554 5.6554 5.6669 5.6669 6.4393 6.4393 6.4426 6.4426 7.3105 7.3105 7.3366 7.3366 8.0443 8.0443 8.0538 8.0538 8.2121 8.2121 8.2152 8.2152 8.4046 8.4046 8.4195 8.4195 9.1221 9.1221 9.1227 9.1227 11.4244 11.4244 11.4373 11.4373 12.6358 12.6358 12.6548 12.6548 k = 0.0621-0.0704 0.4332 ( 2742 PWs) bands (ev): -3.6258 -3.6258 -3.6255 -3.6255 1.5783 1.5783 1.5795 1.5795 4.6726 4.6726 4.6744 4.6744 5.6485 5.6485 5.6592 5.6592 6.4197 6.4197 6.4221 6.4221 7.3092 7.3092 7.3329 7.3329 8.0420 8.0420 8.0531 8.0531 8.2233 8.2233 8.2251 8.2251 8.3944 8.3944 8.4065 8.4065 9.1318 9.1318 9.1324 9.1324 11.4549 11.4549 11.4673 11.4673 12.6298 12.6298 12.6502 12.6502 k = 0.0532-0.0603 0.4332 ( 2742 PWs) bands (ev): -3.6369 -3.6369 -3.6366 -3.6366 1.6228 1.6228 1.6239 1.6239 4.6581 4.6581 4.6597 4.6597 5.6445 5.6445 5.6542 5.6542 6.4009 6.4009 6.4025 6.4025 7.3109 7.3109 7.3318 7.3318 8.0373 8.0373 8.0485 8.0485 8.2339 8.2339 8.2389 8.2389 8.3843 8.3843 8.3935 8.3935 9.1414 9.1414 9.1420 9.1420 11.4839 11.4839 11.4957 11.4957 12.6230 12.6230 12.6442 12.6442 k = 0.0444-0.0503 0.4332 ( 2742 PWs) bands (ev): -3.6463 -3.6463 -3.6461 -3.6461 1.6620 1.6620 1.6630 1.6630 4.6431 4.6431 4.6444 4.6444 5.6429 5.6429 5.6515 5.6515 6.3835 6.3835 6.3844 6.3844 7.3147 7.3147 7.3326 7.3326 8.0314 8.0314 8.0416 8.0416 8.2457 8.2457 8.2526 8.2526 8.3745 8.3745 8.3806 8.3806 9.1504 9.1504 9.1509 9.1509 11.5110 11.5110 11.5217 11.5217 12.6153 12.6153 12.6363 12.6363 k = 0.0355-0.0402 0.4332 ( 2748 PWs) bands (ev): -3.6540 -3.6540 -3.6538 -3.6538 1.6953 1.6953 1.6961 1.6961 4.6287 4.6287 4.6298 4.6298 5.6432 5.6432 5.6504 5.6504 6.3679 6.3679 6.3685 6.3685 7.3196 7.3196 7.3343 7.3343 8.0254 8.0254 8.0339 8.0339 8.2578 8.2578 8.2656 8.2656 8.3648 8.3648 8.3682 8.3682 9.1585 9.1585 9.1589 9.1589 11.5353 11.5353 11.5445 11.5445 12.6071 12.6071 12.6266 12.6266 k = 0.0266-0.0302 0.4332 ( 2746 PWs) bands (ev): -3.6600 -3.6600 -3.6599 -3.6599 1.7220 1.7220 1.7226 1.7226 4.6162 4.6162 4.6170 4.6170 5.6445 5.6445 5.6501 5.6501 6.3550 6.3550 6.3554 6.3554 7.3250 7.3250 7.3362 7.3362 8.0201 8.0201 8.0266 8.0266 8.2698 8.2698 8.2776 8.2776 8.3556 8.3556 8.3566 8.3566 9.1651 9.1651 9.1656 9.1656 11.5560 11.5560 11.5633 11.5633 12.5994 12.5994 12.6157 12.6157 k = 0.0177-0.0201 0.4332 ( 2748 PWs) bands (ev): -3.6643 -3.6643 -3.6642 -3.6642 1.7415 1.7415 1.7419 1.7419 4.6065 4.6065 4.6071 4.6071 5.6464 5.6464 5.6502 5.6502 6.3452 6.3452 6.3457 6.3457 7.3299 7.3299 7.3375 7.3375 8.0161 8.0161 8.0205 8.0205 8.2809 8.2809 8.2878 8.2878 8.3460 8.3460 8.3472 8.3472 9.1701 9.1701 9.1706 9.1706 11.5720 11.5720 11.5772 11.5772 12.5933 12.5933 12.6051 12.6051 k = 0.0089-0.0101 0.4332 ( 2750 PWs) bands (ev): -3.6669 -3.6669 -3.6669 -3.6669 1.7534 1.7534 1.7536 1.7536 4.6005 4.6005 4.6008 4.6008 5.6481 5.6481 5.6500 5.6500 6.3392 6.3392 6.3397 6.3397 7.3339 7.3339 7.3378 7.3378 8.0138 8.0138 8.0162 8.0162 8.2903 8.2903 8.2948 8.2948 8.3383 8.3383 8.3400 8.3400 9.1732 9.1732 9.1737 9.1737 11.5826 11.5826 11.5853 11.5853 12.5903 12.5903 12.5965 12.5965 k = 0.0000 0.0000 0.4332 ( 2754 PWs) bands (ev): -3.6678 -3.6678 -3.6677 -3.6677 1.7574 1.7574 1.7575 1.7575 4.5984 4.5984 4.5986 4.5986 5.6491 5.6491 5.6495 5.6495 6.3371 6.3371 6.3376 6.3376 7.3362 7.3362 7.3368 7.3368 8.0134 8.0134 8.0143 8.0143 8.2954 8.2954 8.2963 8.2963 8.3356 8.3356 8.3365 8.3365 9.1743 9.1743 9.1747 9.1747 11.5869 11.5869 11.5874 11.5874 12.5912 12.5912 12.5914 12.5914 k = 0.0000 0.0000 0.4332 ( 2754 PWs) bands (ev): -3.6678 -3.6678 -3.6677 -3.6677 1.7574 1.7574 1.7575 1.7575 4.5984 4.5984 4.5986 4.5986 5.6491 5.6491 5.6495 5.6495 6.3371 6.3371 6.3376 6.3376 7.3362 7.3362 7.3368 7.3368 8.0134 8.0134 8.0143 8.0143 8.2954 8.2954 8.2963 8.2963 8.3356 8.3356 8.3365 8.3365 9.1743 9.1743 9.1747 9.1747 11.5869 11.5869 11.5874 11.5874 12.5912 12.5912 12.5914 12.5914 k = 0.0099 0.0088 0.4332 ( 2754 PWs) bands (ev): -3.6735 -3.6735 -3.6603 -3.6603 1.7125 1.7125 1.7971 1.7971 4.5731 4.5731 4.6290 4.6290 5.6137 5.6137 5.6834 5.6834 6.3073 6.3073 6.3671 6.3671 7.3189 7.3189 7.3521 7.3521 8.0082 8.0082 8.0197 8.0197 8.2846 8.2846 8.3036 8.3036 8.3281 8.3281 8.3502 8.3502 9.1449 9.1449 9.2009 9.2009 11.5572 11.5572 11.6110 11.6110 12.5608 12.5608 12.6214 12.6214 k = 0.0199 0.0175 0.4332 ( 2746 PWs) bands (ev): -3.6776 -3.6776 -3.6512 -3.6512 1.6629 1.6629 1.8312 1.8312 4.5534 4.5534 4.6638 4.6638 5.5770 5.5770 5.7153 5.7153 6.2772 6.2772 6.3964 6.3964 7.2994 7.2994 7.3655 7.3655 8.0032 8.0032 8.0253 8.0253 8.2729 8.2729 8.3008 8.3008 8.3339 8.3339 8.3671 8.3671 9.1125 9.1125 9.2236 9.2236 11.5223 11.5223 11.6278 11.6278 12.5342 12.5342 12.6438 12.6438 k = 0.0298 0.0263 0.4332 ( 2741 PWs) bands (ev): -3.6801 -3.6801 -3.6404 -3.6404 1.6089 1.6089 1.8592 1.8592 4.5398 4.5398 4.7022 4.7022 5.5396 5.5396 5.7444 5.7444 6.2476 6.2476 6.4251 6.4251 7.2779 7.2779 7.3769 7.3769 7.9989 7.9989 8.0302 8.0302 8.2613 8.2613 8.2932 8.2932 8.3477 8.3477 8.3860 8.3860 9.0779 9.0779 9.2422 9.2422 11.4832 11.4832 11.6362 11.6362 12.5136 12.5136 12.6517 12.6517 k = 0.0398 0.0351 0.4332 ( 2745 PWs) bands (ev): -3.6809 -3.6809 -3.6279 -3.6279 1.5512 1.5512 1.8809 1.8809 4.5328 4.5328 4.7434 4.7434 5.5016 5.5016 5.7699 5.7699 6.2191 6.2191 6.4529 6.4529 7.2547 7.2547 7.3864 7.3864 7.9955 7.9955 8.0341 8.0341 8.2496 8.2496 8.2859 8.2859 8.3641 8.3641 8.4068 8.4068 9.0418 9.0418 9.2563 9.2563 11.4407 11.4407 11.6350 11.6350 12.5000 12.5000 12.6480 12.6480 k = 0.0497 0.0439 0.4332 ( 2743 PWs) bands (ev): -3.6802 -3.6802 -3.6136 -3.6136 1.4901 1.4901 1.8962 1.8962 4.5323 4.5323 4.7865 4.7865 5.4637 5.4637 5.7902 5.7902 6.1929 6.1929 6.4801 6.4801 7.2301 7.2301 7.3947 7.3947 7.9931 7.9931 8.0371 8.0371 8.2382 8.2382 8.2798 8.2798 8.3821 8.3821 8.4296 8.4296 9.0046 9.0046 9.2658 9.2658 11.3958 11.3958 11.6232 11.6232 12.4941 12.4941 12.6424 12.6424 k = 0.0597 0.0526 0.4332 ( 2736 PWs) bands (ev): -3.6779 -3.6779 -3.5976 -3.5976 1.4263 1.4263 1.9051 1.9051 4.5384 4.5384 4.8307 4.8307 5.4262 5.4262 5.8037 5.8037 6.1706 6.1706 6.5064 6.5064 7.2042 7.2042 7.4021 7.4021 7.9913 7.9913 8.0387 8.0387 8.2273 8.2273 8.2747 8.2747 8.4010 8.4010 8.4545 8.4545 8.9671 8.9671 9.2705 9.2705 11.3492 11.3492 11.6002 11.6002 12.4958 12.4958 12.6413 12.6413 k = 0.0696 0.0614 0.4332 ( 2732 PWs) bands (ev): -3.6741 -3.6741 -3.5798 -3.5798 1.3599 1.3599 1.9078 1.9078 4.5505 4.5505 4.8752 4.8752 5.3895 5.3895 5.8084 5.8084 6.1542 6.1542 6.5317 6.5317 7.1773 7.1773 7.4091 7.4091 7.9897 7.9897 8.0386 8.0386 8.2172 8.2172 8.2705 8.2705 8.4200 8.4200 8.4819 8.4819 8.9300 8.9300 9.2703 9.2703 11.3019 11.3019 11.5661 11.5661 12.5049 12.5049 12.6478 12.6478 k = 0.0796 0.0702 0.4332 ( 2732 PWs) bands (ev): -3.6689 -3.6689 -3.5603 -3.5603 1.2915 1.2915 1.9045 1.9045 4.5680 4.5680 4.9191 4.9191 5.3544 5.3544 5.8023 5.8023 6.1453 6.1453 6.5560 6.5560 7.1495 7.1495 7.4163 7.4163 7.9879 7.9879 8.0364 8.0364 8.2086 8.2086 8.2667 8.2667 8.4388 8.4388 8.5119 8.5119 8.8939 8.8939 9.2653 9.2653 11.2548 11.2548 11.5215 11.5215 12.5211 12.5211 12.6627 12.6627 k = 0.0895 0.0790 0.4332 ( 2730 PWs) bands (ev): -3.6622 -3.6622 -3.5391 -3.5391 1.2214 1.2214 1.8956 1.8956 4.5898 4.5898 4.9617 4.9617 5.3216 5.3216 5.7853 5.7853 6.1445 6.1445 6.5790 6.5790 7.1210 7.1210 7.4243 7.4243 7.9855 7.9855 8.0311 8.0311 8.2022 8.2022 8.2634 8.2634 8.4567 8.4567 8.5447 8.5447 8.8599 8.8599 9.2557 9.2557 11.2086 11.2086 11.4677 11.4677 12.5437 12.5437 12.6854 12.6854 k = 0.0995 0.0877 0.4332 ( 2728 PWs) bands (ev): -3.6541 -3.6541 -3.5161 -3.5161 1.1499 1.1499 1.8816 1.8816 4.6144 4.6144 5.0020 5.0020 5.2924 5.2924 5.7581 5.7581 6.1511 6.1511 6.6008 6.6008 7.0920 7.0920 7.4334 7.4334 7.9819 7.9819 8.0223 8.0223 8.1985 8.1985 8.2603 8.2603 8.4734 8.4734 8.5799 8.5799 8.8291 8.8291 9.2420 9.2420 11.1642 11.1642 11.4060 11.4060 12.5721 12.5721 12.7151 12.7151 k = 0.1094 0.0965 0.4332 ( 2730 PWs) bands (ev): -3.6447 -3.6447 -3.4914 -3.4914 1.0771 1.0771 1.8631 1.8631 4.6397 4.6397 5.0393 5.0393 5.2683 5.2683 5.7230 5.7230 6.1632 6.1632 6.6210 6.6210 7.0626 7.0626 7.4439 7.4439 7.9768 7.9768 8.0096 8.0096 8.1975 8.1975 8.2575 8.2575 8.4883 8.4883 8.6159 8.6159 8.8038 8.8038 9.2246 9.2246 11.1221 11.1221 11.3380 11.3380 12.6054 12.6054 12.7504 12.7504 k = 0.1194 0.1053 0.4332 ( 2732 PWs) bands (ev): -3.6339 -3.6339 -3.4649 -3.4649 1.0034 1.0034 1.8408 1.8408 4.6632 4.6632 5.0726 5.0726 5.2513 5.2513 5.6821 5.6821 6.1793 6.1793 6.6397 6.6397 7.0330 7.0330 7.4560 7.4560 7.9685 7.9685 7.9946 7.9946 8.1984 8.1984 8.2553 8.2553 8.5013 8.5013 8.6483 8.6483 8.7891 8.7891 9.2042 9.2042 11.0829 11.0829 11.2651 11.2651 12.6431 12.6431 12.7900 12.7900 k = 0.1293 0.1141 0.4332 ( 2734 PWs) bands (ev): -3.6220 -3.6220 -3.4367 -3.4367 0.9290 0.9290 1.8152 1.8152 4.6819 4.6819 5.1008 5.1008 5.2438 5.2438 5.6377 5.6377 6.1979 6.1979 6.6563 6.6563 7.0034 7.0034 7.4696 7.4696 7.9532 7.9532 7.9813 7.9813 8.1997 8.1997 8.2546 8.2546 8.5122 8.5122 8.6668 8.6668 8.7958 8.7958 9.1818 9.1818 11.0469 11.0469 11.1889 11.1889 12.6844 12.6844 12.8329 12.8329 k = 0.1393 0.1228 0.4332 ( 2732 PWs) bands (ev): -3.6088 -3.6088 -3.4068 -3.4068 0.8541 0.8541 1.7869 1.7869 4.6931 4.6931 5.1225 5.1225 5.2481 5.2481 5.5921 5.5921 6.2182 6.2182 6.6708 6.6708 6.9741 6.9741 7.4846 7.4846 7.9294 7.9294 7.9719 7.9719 8.1989 8.1989 8.2566 8.2566 8.5208 8.5208 8.6660 8.6660 8.8295 8.8295 9.1583 9.1583 11.0141 11.0141 11.1109 11.1109 12.7288 12.7288 12.8778 12.8778 k = 0.1492 0.1316 0.4332 ( 2732 PWs) bands (ev): -3.5945 -3.5945 -3.3752 -3.3752 0.7787 0.7787 1.7565 1.7565 4.6947 4.6947 5.1359 5.1359 5.2654 5.2654 5.5479 5.5479 6.2395 6.2395 6.6825 6.6825 6.9452 6.9452 7.5005 7.5005 7.9001 7.9001 7.9641 7.9641 8.1942 8.1942 8.2622 8.2622 8.5270 8.5270 8.6551 8.6551 8.8810 8.8810 9.1350 9.1350 10.9829 10.9829 11.0340 11.0340 12.7755 12.7755 12.9238 12.9238 k = 0.1591 0.1404 0.4332 ( 2725 PWs) bands (ev): -3.5791 -3.5791 -3.3419 -3.3419 0.7030 0.7030 1.7246 1.7246 4.6864 4.6864 5.1384 5.1384 5.2956 5.2956 5.5084 5.5084 6.2614 6.2614 6.6908 6.6908 6.9174 6.9174 7.5171 7.5171 7.8673 7.8673 7.9567 7.9567 8.1854 8.1854 8.2709 8.2709 8.5310 8.5310 8.6416 8.6416 8.9419 8.9419 9.1138 9.1138 10.9366 10.9366 10.9761 10.9761 12.8243 12.8243 12.9703 12.9703 k = 0.1691 0.1491 0.4332 ( 2729 PWs) bands (ev): -3.5627 -3.5627 -3.3069 -3.3069 0.6272 0.6272 1.6917 1.6917 4.6693 4.6693 5.1274 5.1274 5.3371 5.3371 5.4765 5.4765 6.2836 6.2836 6.6948 6.6948 6.8913 6.8913 7.5338 7.5338 7.8323 7.8323 7.9492 7.9492 8.1727 8.1727 8.2817 8.2817 8.5330 8.5330 8.6281 8.6281 9.0047 9.0047 9.0998 9.0998 10.8631 10.8631 10.9502 10.9502 12.8746 12.8746 13.0167 13.0167 k = 0.1790 0.1579 0.4332 ( 2728 PWs) bands (ev): -3.5453 -3.5453 -3.2703 -3.2703 0.5512 0.5512 1.6583 1.6583 4.6450 4.6450 5.1013 5.1013 5.3874 5.3874 5.4544 5.4544 6.3057 6.3057 6.6933 6.6933 6.8678 6.8678 7.5499 7.5499 7.7959 7.7959 7.9415 7.9415 8.1567 8.1567 8.2938 8.2938 8.5333 8.5333 8.6157 8.6157 9.0410 9.0410 9.1210 9.1210 10.7861 10.7861 10.9334 10.9334 12.9260 12.9260 13.0627 13.0627 k = 0.1890 0.1667 0.4332 ( 2718 PWs) bands (ev): -3.5271 -3.5271 -3.2321 -3.2321 0.4753 0.4753 1.6248 1.6248 4.6154 4.6154 5.0615 5.0615 5.4384 5.4384 5.4477 5.4477 6.3277 6.3277 6.6848 6.6848 6.8482 6.8482 7.5645 7.5645 7.7596 7.7596 7.9337 7.9337 8.1380 8.1380 8.3066 8.3066 8.5324 8.5324 8.6045 8.6045 9.0368 9.0368 9.1911 9.1911 10.7108 10.7108 10.9215 10.9215 12.9785 12.9785 13.1084 13.1084 k = 0.1989 0.1755 0.4332 ( 2718 PWs) bands (ev): -3.5081 -3.5081 -3.1922 -3.1922 0.3994 0.3994 1.5915 1.5915 4.5818 4.5818 5.0106 5.0106 5.4350 5.4350 5.5070 5.5070 6.3492 6.3492 6.6684 6.6684 6.8331 6.8331 7.5756 7.5756 7.7250 7.7250 7.9257 7.9257 8.1172 8.1172 8.3194 8.3194 8.5306 8.5306 8.5945 8.5945 9.0256 9.0256 9.2759 9.2759 10.6387 10.6387 10.9138 10.9138 13.0318 13.0318 13.1536 13.1536 k = 0.2089 0.1842 0.4332 ( 2711 PWs) bands (ev): -3.4883 -3.4883 -3.1508 -3.1508 0.3236 0.3236 1.5589 1.5589 4.5454 4.5454 4.9520 4.9520 5.4335 5.4335 5.5717 5.5717 6.3702 6.3702 6.6444 6.6444 6.8221 6.8221 7.5799 7.5799 7.6960 7.6960 7.9175 7.9175 8.0952 8.0952 8.3321 8.3321 8.5282 8.5282 8.5857 8.5857 9.0153 9.0153 9.3666 9.3666 10.5714 10.5714 10.9100 10.9100 13.0856 13.0856 13.1987 13.1987 k = 0.2188 0.1930 0.4332 ( 2706 PWs) bands (ev): -3.4679 -3.4679 -3.1079 -3.1079 0.2479 0.2479 1.5271 1.5271 4.5069 4.5069 4.8881 4.8881 5.4343 5.4343 5.6381 5.6381 6.3903 6.3903 6.6137 6.6137 6.8140 6.8140 7.5714 7.5714 7.6787 7.6787 7.9092 7.9092 8.0727 8.0727 8.3445 8.3445 8.5252 8.5252 8.5782 8.5782 9.0068 9.0068 9.4603 9.4603 10.5106 10.5106 10.9097 10.9097 13.1402 13.1402 13.2441 13.2441 k = 0.2288 0.2018 0.4332 ( 2713 PWs) bands (ev): -3.4469 -3.4469 -3.0634 -3.0634 0.1723 0.1723 1.4966 1.4966 4.4671 4.4671 4.8210 4.8210 5.4361 5.4361 5.7050 5.7050 6.4094 6.4094 6.5776 6.5776 6.8075 6.8075 7.5483 7.5483 7.6748 7.6748 7.9008 7.9008 8.0508 8.0508 8.3564 8.3564 8.5216 8.5216 8.5722 8.5722 9.0003 9.0003 9.5543 9.5543 10.4588 10.4588 10.9127 10.9127 13.1951 13.1951 13.2899 13.2899 k = 0.2387 0.2106 0.4332 ( 2714 PWs) bands (ev): -3.4255 -3.4255 -3.0175 -3.0175 0.0970 0.0970 1.4676 1.4676 4.4262 4.4262 4.7519 4.7519 5.4383 5.4383 5.7712 5.7712 6.4269 6.4269 6.5374 6.5374 6.8018 6.8018 7.5165 7.5165 7.6790 7.6790 7.8926 7.8926 8.0304 8.0304 8.3679 8.3679 8.5169 8.5169 8.5680 8.5680 8.9957 8.9957 9.6446 9.6446 10.4198 10.4198 10.9188 10.9188 13.2506 13.2506 13.3367 13.3367 k = 0.2487 0.2193 0.4332 ( 2715 PWs) bands (ev): -3.4036 -3.4036 -2.9701 -2.9701 0.0218 0.0218 1.4401 1.4401 4.3847 4.3847 4.6818 4.6818 5.4404 5.4404 5.8359 5.8359 6.4400 6.4400 6.4962 6.4962 6.7964 6.7964 7.4810 7.4810 7.6861 7.6861 7.8850 7.8850 8.0121 8.0121 8.3787 8.3787 8.5109 8.5109 8.5657 8.5657 8.9929 8.9929 9.7252 9.7252 10.3996 10.3996 10.9279 10.9279 13.3064 13.3064 13.3847 13.3847 k = 0.2586 0.2281 0.4332 ( 2709 PWs) bands (ev): -3.3814 -3.3814 -2.9213 -2.9213 -0.0532 -0.0532 1.4146 1.4146 4.3428 4.3428 4.6113 4.6113 5.4423 5.4423 5.8980 5.8980 6.4277 6.4277 6.4757 6.4757 6.7915 6.7915 7.4445 7.4445 7.6939 7.6939 7.8783 7.8783 7.9962 7.9962 8.3889 8.3889 8.5037 8.5037 8.5653 8.5653 8.9914 8.9914 9.7883 9.7883 10.4059 10.4059 10.9396 10.9396 13.3623 13.3623 13.4343 13.4343 k = 0.2686 0.2369 0.4332 ( 2706 PWs) bands (ev): -3.3589 -3.3589 -2.8712 -2.8712 -0.1280 -0.1280 1.3910 1.3910 4.3007 4.3007 4.5410 4.5410 5.4438 5.4438 5.9567 5.9567 6.3815 6.3815 6.4845 6.4845 6.7870 6.7870 7.4080 7.4080 7.7014 7.7014 7.8729 7.8729 7.9829 7.9829 8.3983 8.3983 8.4951 8.4951 8.5664 8.5664 8.9912 8.9912 9.8272 9.8272 10.4453 10.4453 10.9538 10.9538 13.4176 13.4176 13.4859 13.4859 k = 0.2785 0.2457 0.4332 ( 2704 PWs) bands (ev): -3.3363 -3.3363 -2.8197 -2.8197 -0.2027 -0.2027 1.3695 1.3695 4.2584 4.2584 4.4714 4.4714 5.4451 5.4451 6.0106 6.0106 6.3277 6.3277 6.4971 6.4971 6.7833 6.7833 7.3722 7.3722 7.7082 7.7082 7.8693 7.8693 7.9721 7.9721 8.4067 8.4067 8.4855 8.4855 8.5690 8.5690 8.9920 8.9920 9.8419 9.8419 10.5174 10.5174 10.9703 10.9703 13.4707 13.4707 13.5396 13.5396 k = 0.2885 0.2544 0.4332 ( 2708 PWs) bands (ev): -3.3136 -3.3136 -2.7671 -2.7671 -0.2772 -0.2772 1.3502 1.3502 4.2163 4.2163 4.4030 4.4030 5.4460 5.4460 6.0575 6.0575 6.2725 6.2725 6.5094 6.5094 6.7807 6.7807 7.3373 7.3373 7.7144 7.7144 7.8676 7.8676 7.9635 7.9635 8.4138 8.4138 8.4754 8.4754 8.5726 8.5726 8.9939 8.9939 9.8386 9.8386 10.6157 10.6157 10.9890 10.9890 13.5188 13.5188 13.5957 13.5957 k = 0.2984 0.2632 0.4332 ( 2699 PWs) bands (ev): -3.2909 -3.2909 -2.7132 -2.7132 -0.3515 -0.3515 1.3333 1.3333 4.1743 4.1743 4.3360 4.3360 5.4468 5.4468 6.0905 6.0905 6.2233 6.2233 6.5208 6.5208 6.7795 6.7795 7.3036 7.3036 7.7199 7.7199 7.8681 7.8681 7.9572 7.9572 8.4187 8.4187 8.4659 8.4659 8.5772 8.5772 8.9966 8.9966 9.8250 9.8250 10.7320 10.7320 11.0097 11.0097 13.5552 13.5552 13.6544 13.6544 k = 0.3084 0.2720 0.4332 ( 2699 PWs) bands (ev): -3.2683 -3.2683 -2.6582 -2.6582 -0.4256 -0.4256 1.3188 1.3188 4.1326 4.1326 4.2708 4.2708 5.4474 5.4474 6.0870 6.0870 6.2031 6.2031 6.5310 6.5310 6.7800 6.7800 7.2712 7.2712 7.7247 7.7247 7.8704 7.8704 7.9530 7.9530 8.4191 8.4191 8.4593 8.4593 8.5825 8.5825 9.0001 9.0001 9.8065 9.8065 10.8604 10.8604 11.0325 11.0325 13.5677 13.5677 13.7158 13.7158 k = 0.3183 0.2807 0.4332 ( 2695 PWs) bands (ev): -3.2459 -3.2459 -2.6021 -2.6021 -0.4997 -0.4997 1.3066 1.3066 4.0913 4.0913 4.2077 4.2077 5.4480 5.4480 6.0405 6.0405 6.2185 6.2185 6.5400 6.5400 6.7822 6.7822 7.2401 7.2401 7.7288 7.7288 7.8742 7.8742 7.9510 7.9510 8.4130 8.4130 8.4578 8.4578 8.5883 8.5883 9.0045 9.0045 9.7866 9.7866 10.9948 10.9948 11.0592 11.0592 13.5451 13.5451 13.7801 13.7801 k = 0.3282 0.2895 0.4332 ( 2697 PWs) bands (ev): -3.2237 -3.2237 -2.5449 -2.5449 -0.5736 -0.5736 1.2969 1.2969 4.0504 4.0504 4.1470 4.1470 5.4486 5.4486 5.9787 5.9787 6.2427 6.2427 6.5477 6.5477 6.7861 6.7861 7.2104 7.2104 7.7323 7.7323 7.8789 7.8789 7.9512 7.9512 8.4015 8.4015 8.4605 8.4605 8.5947 8.5947 9.0097 9.0097 9.7671 9.7671 11.0758 11.0758 11.1467 11.1467 13.4920 13.4920 13.8475 13.8475 k = 0.3382 0.2983 0.4332 ( 2705 PWs) bands (ev): -3.2018 -3.2018 -2.4869 -2.4869 -0.6474 -0.6474 1.2896 1.2896 4.0100 4.0100 4.0890 4.0890 5.4493 5.4493 5.9124 5.9124 6.2655 6.2655 6.5542 6.5542 6.7915 6.7915 7.1820 7.1820 7.7350 7.7350 7.8838 7.8838 7.9540 7.9540 8.3872 8.3872 8.4650 8.4650 8.6013 8.6013 9.0155 9.0155 9.7490 9.7490 11.1047 11.1047 11.2918 11.2918 13.4213 13.4213 13.9180 13.9180 k = 0.3481 0.3071 0.4332 ( 2706 PWs) bands (ev): -3.1803 -3.1803 -2.4279 -2.4279 -0.7211 -0.7211 1.2847 1.2847 3.9703 3.9703 4.0338 4.0338 5.4502 5.4502 5.8447 5.8447 6.2848 6.2848 6.5595 6.5595 6.7981 6.7981 7.1552 7.1552 7.7372 7.7372 7.8882 7.8882 7.9597 7.9597 8.3716 8.3716 8.4700 8.4700 8.6082 8.6082 9.0222 9.0222 9.7330 9.7330 11.1326 11.1326 11.4421 11.4421 13.3425 13.3425 13.9917 13.9917 k = 0.3581 0.3158 0.4332 ( 2708 PWs) bands (ev): -3.1593 -3.1593 -2.3682 -2.3682 -0.7947 -0.7947 1.2820 1.2820 3.9314 3.9314 3.9817 3.9817 5.4513 5.4513 5.7769 5.7769 6.3004 6.3004 6.5634 6.5634 6.8054 6.8054 7.1297 7.1297 7.7387 7.7387 7.8917 7.8917 7.9681 7.9681 8.3554 8.3554 8.4751 8.4751 8.6153 8.6153 9.0296 9.0296 9.7191 9.7191 11.1610 11.1610 11.5948 11.5948 13.2608 13.2608 14.0687 14.0687 k = 0.3680 0.3246 0.4332 ( 2708 PWs) bands (ev): -3.1387 -3.1387 -2.3078 -2.3078 -0.8681 -0.8681 1.2816 1.2816 3.8934 3.8934 3.9330 3.9330 5.4528 5.4528 5.7099 5.7099 6.3126 6.3126 6.5661 6.5661 6.8131 6.8131 7.1056 7.1056 7.7396 7.7396 7.8941 7.8941 7.9787 7.9787 8.3391 8.3391 8.4801 8.4801 8.6224 8.6224 9.0377 9.0377 9.7075 9.7075 11.1897 11.1897 11.7491 11.7491 13.1792 13.1792 14.1490 14.1490 k = 0.3780 0.3334 0.4332 ( 2714 PWs) bands (ev): -3.1188 -3.1188 -2.2468 -2.2468 -0.9413 -0.9413 1.2834 1.2834 3.8564 3.8564 3.8878 3.8878 5.4545 5.4545 5.6443 5.6443 6.3218 6.3218 6.5675 6.5675 6.8207 6.8207 7.0831 7.0831 7.7400 7.7400 7.8958 7.8958 7.9908 7.9908 8.3230 8.3230 8.4848 8.4848 8.6293 8.6293 9.0462 9.0462 9.6980 9.6980 11.2184 11.2184 11.9041 11.9041 13.0998 13.0998 14.2322 14.2322 k = 0.3879 0.3422 0.4332 ( 2718 PWs) bands (ev): -3.0994 -3.0994 -2.1855 -2.1855 -1.0143 -1.0143 1.2871 1.2871 3.8206 3.8206 3.8462 3.8462 5.4564 5.4564 5.5808 5.5808 6.3286 6.3286 6.5674 6.5674 6.8280 6.8280 7.0620 7.0620 7.7400 7.7400 7.8969 7.8969 8.0036 8.0036 8.3074 8.3074 8.4890 8.4890 8.6361 8.6361 9.0553 9.0553 9.6905 9.6905 11.2466 11.2466 12.0592 12.0592 13.0242 13.0242 14.3179 14.3179 k = 0.3979 0.3509 0.4332 ( 2718 PWs) bands (ev): -3.0808 -3.0808 -2.1238 -2.1238 -1.0869 -1.0869 1.2925 1.2925 3.7863 3.7863 3.8086 3.8086 5.4575 5.4575 5.5210 5.5210 6.3334 6.3334 6.5660 6.5660 6.8345 6.8345 7.0424 7.0424 7.7396 7.7396 7.8975 7.8975 8.0164 8.0164 8.2926 8.2926 8.4929 8.4929 8.6426 8.6426 9.0646 9.0646 9.6849 9.6849 11.2738 11.2738 12.2138 12.2138 12.9540 12.9540 14.4018 14.4018 k = 0.4078 0.3597 0.4332 ( 2714 PWs) bands (ev): -3.0628 -3.0628 -2.0622 -2.0622 -1.1589 -1.1589 1.2996 1.2996 3.7535 3.7535 3.7750 3.7750 5.4448 5.4448 5.4782 5.4782 6.3365 6.3365 6.5630 6.5630 6.8403 6.8403 7.0245 7.0245 7.7389 7.7389 7.8979 7.8979 8.0288 8.0288 8.2788 8.2788 8.4964 8.4964 8.6486 8.6486 9.0739 9.0739 9.6810 9.6810 11.2993 11.2993 12.3672 12.3672 12.8907 12.8907 14.4741 14.4741 k = 0.4178 0.3685 0.4332 ( 2718 PWs) bands (ev): -3.0456 -3.0456 -2.0010 -2.0010 -1.2300 -1.2300 1.3081 1.3081 3.7226 3.7226 3.7455 3.7455 5.3970 5.3970 5.4742 5.4742 6.3384 6.3384 6.5585 6.5585 6.8450 6.8450 7.0082 7.0082 7.7380 7.7380 7.8980 7.8980 8.0403 8.0403 8.2662 8.2662 8.4993 8.4993 8.6540 8.6540 9.0831 9.0831 9.6785 9.6785 11.3222 11.3222 12.5188 12.5188 12.8356 12.8356 14.5393 14.5393 k = 0.4277 0.3773 0.4332 ( 2716 PWs) bands (ev): -3.0291 -3.0291 -1.9409 -1.9409 -1.2995 -1.2995 1.3177 1.3177 3.6937 3.6937 3.7203 3.7203 5.3449 5.3449 5.4784 5.4784 6.3393 6.3393 6.5522 6.5522 6.8489 6.8489 6.9937 6.9937 7.7369 7.7369 7.8980 7.8980 8.0507 8.0507 8.2549 8.2549 8.5018 8.5018 8.6587 8.6587 9.0918 9.0918 9.6773 9.6773 11.3417 11.3417 12.6677 12.6677 12.7902 12.7902 14.5995 14.5995 k = 0.4377 0.3860 0.4332 ( 2720 PWs) bands (ev): -3.0135 -3.0135 -1.8832 -1.8832 -1.3664 -1.3664 1.3282 1.3282 3.6673 3.6673 3.6995 3.6995 5.2952 5.2952 5.4844 5.4844 6.3393 6.3393 6.5442 6.5442 6.8517 6.8517 6.9810 6.9810 7.7356 7.7356 7.8979 7.8979 8.0597 8.0597 8.2448 8.2448 8.5037 8.5037 8.6626 8.6626 9.0998 9.0998 9.6772 9.6772 11.3568 11.3568 12.7559 12.7559 12.8132 12.8132 14.6538 14.6538 k = 0.4476 0.3948 0.4332 ( 2720 PWs) bands (ev): -2.9987 -2.9987 -1.8304 -1.8304 -1.4278 -1.4278 1.3393 1.3393 3.6435 3.6435 3.6833 3.6833 5.2488 5.2488 5.4918 5.4918 6.3385 6.3385 6.5343 6.5343 6.8538 6.8538 6.9702 6.9702 7.7344 7.7344 7.8976 7.8976 8.0673 8.0673 8.2363 8.2363 8.5051 8.5051 8.6655 8.6655 9.1068 9.1068 9.6780 9.6780 11.3668 11.3668 12.7337 12.7337 12.9542 12.9542 14.7010 14.7010 k = 0.4576 0.4036 0.4332 ( 2720 PWs) bands (ev): -2.9847 -2.9847 -1.7888 -1.7888 -1.4777 -1.4777 1.3506 1.3506 3.6227 3.6227 3.6716 3.6716 5.2058 5.2058 5.5004 5.5004 6.3370 6.3370 6.5227 6.5227 6.8550 6.8550 6.9611 6.9611 7.7331 7.7331 7.8972 7.8972 8.0735 8.0735 8.2293 8.2293 8.5058 8.5058 8.6675 8.6675 9.1127 9.1127 9.6796 9.6796 11.3711 11.3711 12.7244 12.7244 13.0893 13.0893 14.7399 14.7399 k = 0.4675 0.4124 0.4332 ( 2718 PWs) bands (ev): -2.9716 -2.9716 -1.7710 -1.7710 -1.5036 -1.5036 1.3620 1.3620 3.6052 3.6052 3.6645 3.6645 5.1665 5.1665 5.5102 5.5102 6.3347 6.3347 6.5094 6.5094 6.8557 6.8557 6.9538 6.9538 7.7318 7.7318 7.8967 7.8967 8.0784 8.0784 8.2236 8.2236 8.5059 8.5059 8.6683 8.6683 9.1171 9.1171 9.6820 9.6820 11.3695 11.3695 12.7285 12.7285 13.2170 13.2170 14.7688 14.7688 k = 0.4675 0.4124 0.4332 ( 2718 PWs) bands (ev): -2.9716 -2.9716 -1.7710 -1.7710 -1.5036 -1.5036 1.3620 1.3620 3.6052 3.6052 3.6645 3.6645 5.1665 5.1665 5.5102 5.5102 6.3347 6.3347 6.5094 6.5094 6.8557 6.8557 6.9538 6.9538 7.7318 7.7318 7.8967 7.8967 8.0784 8.0784 8.2236 8.2236 8.5059 8.5059 8.6683 8.6683 9.1171 9.1171 9.6820 9.6820 11.3695 11.3695 12.7285 12.7285 13.2170 13.2170 14.7688 14.7688 k = 0.4726 0.4169 0.4239 ( 2718 PWs) bands (ev): -2.9687 -2.9687 -1.7799 -1.7799 -1.4879 -1.4879 1.3600 1.3600 3.5879 3.5879 3.6673 3.6673 5.1586 5.1586 5.4466 5.4466 6.3448 6.3448 6.4952 6.4952 6.8597 6.8597 7.0290 7.0290 7.7323 7.7323 7.8988 7.8988 8.0828 8.0828 8.2257 8.2257 8.5057 8.5057 8.6687 8.6687 9.1181 9.1181 9.6772 9.6772 11.3507 11.3507 12.7529 12.7529 13.2381 13.2381 14.7754 14.7754 k = 0.4777 0.4214 0.4146 ( 2717 PWs) bands (ev): -2.9641 -2.9641 -1.8193 -1.8193 -1.4417 -1.4417 1.3585 1.3585 3.5696 3.5696 3.6746 3.6746 5.1488 5.1488 5.3807 5.3807 6.3536 6.3536 6.4826 6.4826 6.8640 6.8640 7.1040 7.1040 7.7329 7.7329 7.9011 7.9011 8.0877 8.0877 8.2282 8.2282 8.5048 8.5048 8.6681 8.6681 9.1179 9.1179 9.6726 9.6726 11.3251 11.3251 12.7939 12.7939 13.2547 13.2547 14.7322 14.7322 k = 0.5325-0.5382 0.0551 ( 2718 PWs) bands (ev): -2.9716 -2.9716 -1.7710 -1.7710 -1.5036 -1.5036 1.3620 1.3620 3.6052 3.6052 3.6645 3.6645 5.1665 5.1665 5.5102 5.5102 6.3347 6.3347 6.5094 6.5094 6.8557 6.8557 6.9538 6.9538 7.7318 7.7318 7.8967 7.8967 8.0784 8.0784 8.2236 8.2236 8.5059 8.5059 8.6683 8.6683 9.1171 9.1171 9.6820 9.6820 11.3695 11.3695 12.7285 12.7285 13.2170 13.2170 14.7688 14.7688 k = 0.5279-0.5422 0.0444 ( 2712 PWs) bands (ev): -2.9616 -2.9616 -1.7819 -1.7819 -1.5073 -1.5073 1.3757 1.3757 3.6070 3.6070 3.6595 3.6595 5.1377 5.1377 5.5906 5.5906 6.3210 6.3210 6.5132 6.5132 6.8519 6.8519 6.8619 6.8619 7.7303 7.7303 7.8940 7.8940 8.0783 8.0783 8.2169 8.2169 8.5056 8.5056 8.6675 8.6675 9.1192 9.1192 9.6896 9.6896 11.3807 11.3807 12.7225 12.7225 13.3162 13.3162 14.7636 14.7636 k = 0.5234-0.5463 0.0336 ( 2713 PWs) bands (ev): -2.9533 -2.9533 -1.7917 -1.7917 -1.5094 -1.5094 1.3874 1.3874 3.6070 3.6070 3.6555 3.6555 5.1144 5.1144 5.6635 5.6635 6.3094 6.3094 6.5206 6.5206 6.7745 6.7745 6.8493 6.8493 7.7291 7.7291 7.8919 7.8919 8.0782 8.0782 8.2116 8.2116 8.5053 8.5053 8.6668 8.6668 9.1208 9.1208 9.6955 9.6955 11.3897 11.3897 12.7182 12.7182 13.4068 13.4068 14.7589 14.7589 k = 0.5188-0.5503 0.0229 ( 2712 PWs) bands (ev): -2.9467 -2.9467 -1.8002 -1.8002 -1.5098 -1.5098 1.3969 1.3969 3.6058 3.6058 3.6525 3.6525 5.0963 5.0963 5.7247 5.7247 6.3005 6.3005 6.5333 6.5333 6.6950 6.6950 6.8473 6.8473 7.7281 7.7281 7.8903 7.8903 8.0782 8.0782 8.2078 8.2078 8.5051 8.5051 8.6663 8.6663 9.1221 9.1221 9.6999 9.6999 11.3961 11.3961 12.7160 12.7160 13.4858 13.4858 14.7399 14.7399 k = 0.5142-0.5543 0.0122 ( 2708 PWs) bands (ev): -2.9418 -2.9418 -1.8075 -1.8075 -1.5085 -1.5085 1.4038 1.4038 3.6038 3.6038 3.6507 3.6507 5.0829 5.0829 5.7689 5.7689 6.2946 6.2946 6.5536 6.5536 6.6264 6.6264 6.8462 6.8462 7.7275 7.7275 7.8894 7.8894 8.0784 8.0784 8.2052 8.2052 8.5049 8.5049 8.6659 8.6659 9.1231 9.1231 9.7028 9.7028 11.3995 11.3995 12.7161 12.7161 13.5493 13.5493 14.7048 14.7048 k = 0.5097-0.5583 0.0014 ( 2706 PWs) bands (ev): -2.9386 -2.9386 -1.8135 -1.8135 -1.5058 -1.5058 1.4079 1.4079 3.6014 3.6014 3.6499 3.6499 5.0740 5.0740 5.7901 5.7901 6.2920 6.2920 6.5707 6.5707 6.5854 6.5854 6.8457 6.8457 7.7271 7.7271 7.8889 7.8889 8.0788 8.0788 8.2039 8.2039 8.5047 8.5047 8.6657 8.6657 9.1237 9.1237 9.7042 9.7042 11.3997 11.3997 12.7186 12.7186 13.5930 13.5930 14.6748 14.6748 k = 0.5051-0.5624-0.0093 ( 2704 PWs) bands (ev): -2.9371 -2.9371 -1.8182 -1.8182 -1.5014 -1.5014 1.4091 1.4091 3.5987 3.5987 3.6502 3.6502 5.0695 5.0695 5.7848 5.7848 6.2927 6.2927 6.5320 6.5320 6.6283 6.6283 6.8460 6.8460 7.7270 7.7270 7.8890 7.8890 8.0794 8.0794 8.2037 8.2037 8.5046 8.5046 8.6656 8.6656 9.1240 9.1240 9.7043 9.7043 11.3966 11.3966 12.7237 12.7237 13.6127 13.6127 14.6555 14.6555 k = 0.5051-0.5624-0.0093 ( 2704 PWs) bands (ev): -2.9371 -2.9371 -1.8182 -1.8182 -1.5014 -1.5014 1.4091 1.4091 3.5987 3.5987 3.6502 3.6502 5.0695 5.0695 5.7848 5.7848 6.2927 6.2927 6.5320 6.5320 6.6283 6.6283 6.8460 6.8460 7.7270 7.7270 7.8890 7.8890 8.0794 8.0794 8.2037 8.2037 8.5046 8.5046 8.6656 8.6656 9.1240 9.1240 9.7043 9.7043 11.3966 11.3966 12.7237 12.7237 13.6127 13.6127 14.6555 14.6555 k = 0.5000-0.5669 0.0000 ( 2708 PWs) bands (ev): -2.9379 -2.9379 -1.8000 -1.8000 -1.5196 -1.5196 1.4088 1.4088 3.5990 3.5990 3.6479 3.6479 5.0715 5.0715 5.7908 5.7908 6.2921 6.2921 6.5757 6.5757 6.5789 6.5789 6.8458 6.8458 7.7270 7.7270 7.8890 7.8890 8.0790 8.0790 8.2035 8.2035 8.5050 8.5050 8.6662 8.6662 9.1244 9.1244 9.7041 9.7041 11.4021 11.4021 12.7136 12.7136 13.6146 13.6146 14.6586 14.6586 k = 0.5000-0.5669 0.0000 ( 2708 PWs) bands (ev): -2.9379 -2.9379 -1.8000 -1.8000 -1.5196 -1.5196 1.4088 1.4088 3.5990 3.5990 3.6479 3.6479 5.0715 5.0715 5.7908 5.7908 6.2921 6.2921 6.5757 6.5757 6.5789 6.5789 6.8458 6.8458 7.7270 7.7270 7.8890 7.8890 8.0790 8.0790 8.2035 8.2035 8.5050 8.5050 8.6662 8.6662 9.1244 9.1244 9.7041 9.7041 11.4021 11.4021 12.7136 12.7136 13.6146 13.6146 14.6586 14.6586 k = 0.4911-0.5568 0.0000 ( 2706 PWs) bands (ev): -2.9405 -2.9405 -1.7988 -1.7988 -1.5184 -1.5184 1.4096 1.4096 3.5734 3.5734 3.6768 3.6768 5.0705 5.0705 5.7828 5.7828 6.2568 6.2568 6.5792 6.5792 6.6210 6.6210 6.8476 6.8476 7.7273 7.7273 7.8895 7.8895 8.0794 8.0794 8.2034 8.2034 8.5048 8.5048 8.6659 8.6659 9.1242 9.1242 9.7038 9.7038 11.4022 11.4022 12.7147 12.7147 13.6131 13.6131 14.6504 14.6504 k = 0.4821-0.5466 0.0000 ( 2704 PWs) bands (ev): -2.9482 -2.9482 -1.7954 -1.7954 -1.5147 -1.5147 1.4118 1.4118 3.5358 3.5358 3.7241 3.7241 5.0677 5.0677 5.7569 5.7569 6.1892 6.1892 6.5808 6.5808 6.7195 6.7195 6.8527 6.8527 7.7283 7.7283 7.8912 7.8912 8.0803 8.0803 8.2029 8.2029 8.5042 8.5042 8.6650 8.6650 9.1234 9.1234 9.7028 9.7028 11.4022 11.4022 12.7180 12.7180 13.6084 13.6084 14.6269 14.6269 k = 0.4732-0.5365 0.0000 ( 2704 PWs) bands (ev): -2.9608 -2.9608 -1.7898 -1.7898 -1.5087 -1.5087 1.4155 1.4155 3.5001 3.5001 3.7758 3.7758 5.0632 5.0632 5.7099 5.7099 6.1268 6.1268 6.5832 6.5832 6.8367 6.8367 6.8619 6.8619 7.7300 7.7300 7.8940 7.8940 8.0818 8.0818 8.2021 8.2021 8.5033 8.5033 8.6635 8.6635 9.1221 9.1221 9.7011 9.7011 11.4024 11.4024 12.7235 12.7235 13.6005 13.6005 14.5899 14.5899 k = 0.4643-0.5264 0.0000 ( 2701 PWs) bands (ev): -2.9782 -2.9782 -1.7819 -1.7819 -1.5003 -1.5003 1.4207 1.4207 3.4677 3.4677 3.8299 3.8299 5.0578 5.0578 5.6409 5.6409 6.0814 6.0814 6.5864 6.5864 6.8726 6.8726 6.9639 6.9639 7.7324 7.7324 7.8979 7.8979 8.0837 8.0837 8.2011 8.2011 8.5022 8.5022 8.6614 8.6614 9.1202 9.1202 9.6988 9.6988 11.4029 11.4029 12.7312 12.7312 13.5895 13.5895 14.5409 14.5409 k = 0.4554-0.5163 0.0000 ( 2709 PWs) bands (ev): -3.0003 -3.0003 -1.7718 -1.7718 -1.4898 -1.4898 1.4274 1.4274 3.4389 3.4389 3.8855 3.8855 5.0522 5.0522 5.5538 5.5538 6.0527 6.0527 6.5902 6.5902 6.8876 6.8876 7.0938 7.0938 7.7355 7.7355 7.9028 7.9028 8.0860 8.0860 8.2000 8.2000 8.5007 8.5007 8.6586 8.6586 9.1177 9.1177 9.6956 9.6956 11.4038 11.4038 12.7408 12.7408 13.5751 13.5751 14.4808 14.4808 k = 0.4464-0.5061 0.0000 ( 2709 PWs) bands (ev): -3.0267 -3.0267 -1.7595 -1.7595 -1.4774 -1.4774 1.4354 1.4354 3.4140 3.4140 3.9415 3.9415 5.0476 5.0476 5.4552 5.4552 6.0363 6.0363 6.5945 6.5945 6.9053 6.9053 7.2255 7.2255 7.7397 7.7397 7.9086 7.9086 8.0886 8.0886 8.1992 8.1992 8.4989 8.4989 8.6553 8.6553 9.1145 9.1145 9.6918 9.6918 11.4054 11.4054 12.7524 12.7524 13.5575 13.5575 14.4103 14.4103 k = 0.4375-0.4960 0.0000 ( 2709 PWs) bands (ev): -3.0571 -3.0571 -1.7449 -1.7449 -1.4631 -1.4631 1.4449 1.4449 3.3929 3.3929 3.9968 3.9968 5.0452 5.0452 5.3503 5.3503 6.0277 6.0277 6.5991 6.5991 6.9256 6.9256 7.3570 7.3570 7.7457 7.7457 7.9152 7.9152 8.0914 8.0914 8.1988 8.1988 8.4970 8.4970 8.6514 8.6514 9.1108 9.1108 9.6872 9.6872 11.4080 11.4080 12.7657 12.7657 13.5365 13.5365 14.3301 14.3301 k = 0.4286-0.4859 0.0000 ( 2707 PWs) bands (ev): -3.0913 -3.0913 -1.7283 -1.7283 -1.4472 -1.4472 1.4558 1.4558 3.3757 3.3757 4.0500 4.0500 5.0464 5.0464 5.2426 5.2426 6.0242 6.0242 6.6039 6.6039 6.9481 6.9481 7.4848 7.4848 7.7557 7.7557 7.9225 7.9225 8.0940 8.0940 8.1994 8.1994 8.4950 8.4950 8.6469 8.6469 9.1062 9.1062 9.6817 9.6817 11.4119 11.4119 12.7806 12.7806 13.5121 13.5121 14.2408 14.2408 k = 0.4196-0.4758 0.0000 ( 2707 PWs) bands (ev): -3.1288 -3.1288 -1.7094 -1.7094 -1.4298 -1.4298 1.4679 1.4679 3.3623 3.3623 4.0995 4.0995 5.0529 5.0529 5.1343 5.1343 6.0241 6.0241 6.6089 6.6089 6.9727 6.9727 7.6002 7.6002 7.7774 7.7774 7.9303 7.9303 8.0962 8.0962 8.2015 8.2015 8.4930 8.4930 8.6418 8.6418 9.1009 9.1009 9.6754 9.6754 11.4175 11.4175 12.7967 12.7967 13.4843 13.4843 14.1432 14.1432 k = 0.4107-0.4656 0.0000 ( 2705 PWs) bands (ev): -3.1695 -3.1695 -1.6885 -1.6885 -1.4111 -1.4111 1.4814 1.4814 3.3528 3.3528 4.1438 4.1438 5.0253 5.0253 5.0678 5.0678 6.0264 6.0264 6.6141 6.6141 6.9989 6.9989 7.6778 7.6778 7.8346 7.8346 7.9385 7.9385 8.0980 8.0980 8.2058 8.2058 8.4912 8.4912 8.6362 8.6362 9.0948 9.0948 9.6682 9.6682 11.4251 11.4251 12.8138 12.8138 13.4530 13.4530 14.0386 14.0386 k = 0.4018-0.4555 0.0000 ( 2705 PWs) bands (ev): -3.2129 -3.2129 -1.6655 -1.6655 -1.3913 -1.3913 1.4962 1.4962 3.3470 3.3470 4.1814 4.1814 4.9193 4.9193 5.0897 5.0897 6.0305 6.0305 6.6194 6.6194 7.0266 7.0266 7.7088 7.7088 7.9288 7.9288 7.9514 7.9514 8.1003 8.1003 8.2130 8.2130 8.4901 8.4901 8.6300 8.6300 9.0877 9.0877 9.6600 9.6600 11.4352 11.4352 12.8315 12.8315 13.4182 13.4182 13.9281 13.9281 k = 0.3929-0.4454 0.0000 ( 2709 PWs) bands (ev): -3.2587 -3.2587 -1.6406 -1.6406 -1.3705 -1.3705 1.5121 1.5121 3.3448 3.3448 4.2112 4.2112 4.8149 4.8149 5.1217 5.1217 6.0360 6.0360 6.6249 6.6249 7.0553 7.0553 7.7207 7.7207 7.9511 7.9511 8.0373 8.0373 8.1129 8.1129 8.2246 8.2246 8.4904 8.4904 8.6234 8.6234 9.0797 9.0797 9.6507 9.6507 11.4480 11.4480 12.8490 12.8490 13.3799 13.3799 13.8134 13.8134 k = 0.3839-0.4353 0.0000 ( 2713 PWs) bands (ev): -3.3067 -3.3067 -1.6136 -1.6136 -1.3489 -1.3489 1.5291 1.5291 3.3463 3.3463 4.2327 4.2327 4.7129 4.7129 5.1638 5.1638 6.0426 6.0426 6.6307 6.6307 7.0850 7.0850 7.7265 7.7265 7.9579 7.9579 8.0738 8.0738 8.1786 8.1786 8.2477 8.2477 8.4940 8.4940 8.6167 8.6167 9.0708 9.0708 9.6403 9.6403 11.4639 11.4639 12.8656 12.8656 13.3381 13.3381 13.6964 13.6964 k = 0.3750-0.4252 0.0000 ( 2715 PWs) bands (ev): -3.3565 -3.3565 -1.5848 -1.5848 -1.3265 -1.3265 1.5472 1.5472 3.3513 3.3513 4.2464 4.2464 4.6139 4.6139 5.2153 5.2153 6.0502 6.0502 6.6369 6.6369 7.1154 7.1154 7.7296 7.7296 7.9632 7.9632 8.0746 8.0746 8.2298 8.2298 8.3117 8.3117 8.5068 8.5068 8.6106 8.6106 9.0609 9.0609 9.6288 9.6288 11.4833 11.4833 12.8797 12.8797 13.2929 13.2929 13.5796 13.5796 k = 0.3661-0.4150 0.0000 ( 2717 PWs) bands (ev): -3.4079 -3.4079 -1.5541 -1.5541 -1.3034 -1.3034 1.5663 1.5663 3.3598 3.3598 4.2530 4.2530 4.5179 4.5179 5.2752 5.2752 6.0586 6.0586 6.6437 6.6437 7.1463 7.1463 7.7309 7.7309 7.9669 7.9669 8.0699 8.0699 8.2536 8.2536 8.3801 8.3801 8.5407 8.5407 8.6099 8.6099 9.0502 9.0502 9.6160 9.6160 11.5063 11.5063 12.8889 12.8889 13.2444 13.2444 13.4666 13.4666 k = 0.3571-0.4049 0.0000 ( 2715 PWs) bands (ev): -3.4606 -3.4606 -1.5217 -1.5217 -1.2799 -1.2799 1.5862 1.5862 3.3716 3.3716 4.2539 4.2539 4.4255 4.4255 5.3418 5.3418 6.0678 6.0678 6.6513 6.6513 7.1776 7.1776 7.7309 7.7309 7.9690 7.9690 8.0631 8.0631 8.2750 8.2750 8.4124 8.4124 8.5717 8.5717 8.6495 8.6495 9.0388 9.0388 9.6022 9.6022 11.5332 11.5332 12.8886 12.8886 13.1928 13.1928 13.3628 13.3628 k = 0.3482-0.3948 0.0000 ( 2721 PWs) bands (ev): -3.5144 -3.5144 -1.4875 -1.4875 -1.2560 -1.2560 1.6070 1.6070 3.3867 3.3867 4.2503 4.2503 4.3368 4.3368 5.4132 5.4132 6.0776 6.0776 6.6600 6.6600 7.2090 7.2090 7.7295 7.7295 7.9692 7.9692 8.0550 8.0550 8.2971 8.2971 8.4226 8.4226 8.5708 8.5708 8.7389 8.7389 9.0271 9.0271 9.5874 9.5874 11.5639 11.5639 12.8711 12.8711 13.1384 13.1384 13.2767 13.2767 k = 0.3393-0.3847 0.0000 ( 2725 PWs) bands (ev): -3.5690 -3.5690 -1.4518 -1.4518 -1.2317 -1.2317 1.6285 1.6285 3.4050 3.4050 4.2419 4.2419 4.2536 4.2536 5.4877 5.4877 6.0879 6.0879 6.6702 6.6702 7.2404 7.2404 7.7267 7.7267 7.9674 7.9674 8.0459 8.0459 8.3199 8.3199 8.4247 8.4247 8.5638 8.5638 8.8360 8.8360 9.0155 9.0155 9.5720 9.5720 11.5984 11.5984 12.8277 12.8277 13.0817 13.0817 13.2180 13.2180 k = 0.3304-0.3745 0.0000 ( 2715 PWs) bands (ev): -3.6242 -3.6242 -1.4146 -1.4146 -1.2073 -1.2073 1.6506 1.6506 3.4266 3.4266 4.1706 4.1706 4.2355 4.2355 5.5634 5.5634 6.0989 6.0989 6.6824 6.6824 7.2717 7.2717 7.7225 7.7225 7.9636 7.9636 8.0361 8.0361 8.3424 8.3424 8.4241 8.4241 8.5560 8.5560 8.9275 8.9275 9.0061 9.0061 9.5569 9.5569 11.6366 11.6366 12.7571 12.7571 13.0232 13.0232 13.1887 13.1887 k = 0.3214-0.3644 0.0000 ( 2715 PWs) bands (ev): -3.6797 -3.6797 -1.3759 -1.3759 -1.1826 -1.1826 1.6733 1.6733 3.4512 3.4512 4.0944 4.0944 4.2257 4.2257 5.6386 5.6386 6.1102 6.1102 6.6969 6.6969 7.3027 7.3027 7.7165 7.7165 7.9578 7.9578 8.0256 8.0256 8.3618 8.3618 8.4238 8.4238 8.5493 8.5493 8.9824 8.9824 9.0247 9.0247 9.5436 9.5436 11.6778 11.6778 12.6681 12.6681 12.9634 12.9634 13.1807 13.1807 k = 0.3125-0.3543 0.0000 ( 2717 PWs) bands (ev): -3.7355 -3.7355 -1.3360 -1.3360 -1.1580 -1.1580 1.6963 1.6963 3.4788 3.4788 4.0225 4.0225 4.2156 4.2156 5.7115 5.7115 6.1219 6.1219 6.7144 6.7144 7.3330 7.3330 7.7084 7.7084 7.9500 7.9500 8.0143 8.0143 8.3737 8.3737 8.4268 8.4268 8.5452 8.5452 8.9795 8.9795 9.0891 9.0891 9.5349 9.5349 11.7214 11.7214 12.5704 12.5704 12.9035 12.9035 13.1848 13.1848 k = 0.3036-0.3442 0.0000 ( 2711 PWs) bands (ev): -3.7913 -3.7913 -1.2949 -1.2949 -1.1333 -1.1333 1.7196 1.7196 3.5094 3.5094 3.9555 3.9555 4.2060 4.2060 5.7807 5.7807 6.1339 6.1339 6.7355 6.7355 7.3626 7.3626 7.6982 7.6982 7.9405 7.9405 8.0023 8.0023 8.3749 8.3749 8.4344 8.4344 8.5456 8.5456 8.9743 8.9743 9.1390 9.1390 9.5350 9.5350 11.7664 11.7664 12.4701 12.4701 12.8450 12.8450 13.1950 13.1950 k = 0.2946-0.3341 0.0000 ( 2711 PWs) bands (ev): -3.8469 -3.8469 -1.2528 -1.2528 -1.1088 -1.1088 1.7432 1.7432 3.5429 3.5429 3.8933 3.8933 4.1973 4.1973 5.8447 5.8447 6.1462 6.1462 6.7606 6.7606 7.3911 7.3911 7.6852 7.6852 7.9293 7.9293 7.9894 7.9894 8.3677 8.3677 8.4415 8.4415 8.5520 8.5520 8.9725 8.9725 9.1654 9.1654 9.5475 9.5475 11.8113 11.8113 12.3704 12.3704 12.7898 12.7898 13.2081 13.2081 k = 0.2857-0.3239 0.0000 ( 2719 PWs) bands (ev): -3.9022 -3.9022 -1.2097 -1.2097 -1.0844 -1.0844 1.7668 1.7668 3.5792 3.5792 3.8363 3.8363 4.1900 4.1900 5.9023 5.9023 6.1587 6.1587 6.7900 6.7900 7.4182 7.4182 7.6691 7.6691 7.9164 7.9164 7.9759 7.9759 8.3556 8.3556 8.4448 8.4448 8.5633 8.5633 8.9756 8.9756 9.1671 9.1671 9.5725 9.5725 11.8543 11.8543 12.2729 12.2729 12.7407 12.7407 13.2226 13.2226 k = 0.2768-0.3138 0.0000 ( 2713 PWs) bands (ev): -3.9571 -3.9571 -1.1660 -1.1660 -1.0603 -1.0603 1.7904 1.7904 3.6184 3.6184 3.7846 3.7846 4.1843 4.1843 5.9529 5.9529 6.1714 6.1714 6.8240 6.8240 7.4435 7.4435 7.6496 7.6496 7.9021 7.9021 7.9619 7.9619 8.3403 8.3403 8.4448 8.4448 8.5764 8.5764 8.9847 8.9847 9.1487 9.1487 9.6056 9.6056 11.8928 11.8928 12.1782 12.1782 12.7010 12.7010 13.2376 13.2376 k = 0.2679-0.3037 0.0000 ( 2711 PWs) bands (ev): -4.0113 -4.0113 -1.1217 -1.1217 -1.0366 -1.0366 1.8141 1.8141 3.6604 3.6604 3.7384 3.7384 4.1806 4.1806 5.9958 5.9958 6.1843 6.1843 6.8619 6.8619 7.4666 7.4666 7.6262 7.6262 7.8865 7.8865 7.9477 7.9477 8.3227 8.3227 8.4428 8.4428 8.5882 8.5882 8.9993 8.9993 9.1165 9.1165 9.6412 9.6412 11.9240 11.9240 12.0864 12.0864 12.6744 12.6744 13.2531 13.2531 k = 0.2589-0.2936 0.0000 ( 2709 PWs) bands (ev): -4.0647 -4.0647 -1.0769 -1.0769 -1.0132 -1.0132 1.8376 1.8376 3.6975 3.6975 3.7053 3.7053 4.1792 4.1792 6.0313 6.0313 6.1973 6.1973 6.9032 6.9032 7.4869 7.4869 7.5985 7.5985 7.8697 7.8697 7.9336 7.9336 8.3035 8.3035 8.4399 8.4399 8.5968 8.5968 9.0143 9.0143 9.0802 9.0802 9.6755 9.6755 11.9453 11.9453 11.9971 11.9971 12.6644 12.6644 13.2692 13.2692 k = 0.2500-0.2834 0.0000 ( 2711 PWs) bands (ev): -4.1173 -4.1173 -1.0320 -1.0320 -0.9904 -0.9904 1.8610 1.8610 3.6625 3.6625 3.7526 3.7526 4.1801 4.1801 6.0596 6.0596 6.2104 6.2104 6.9465 6.9465 7.5030 7.5030 7.5664 7.5664 7.8522 7.8522 7.9200 7.9200 8.2835 8.2835 8.4365 8.4365 8.6014 8.6014 8.9985 8.9985 9.0724 9.0724 9.7065 9.7065 11.9089 11.9089 11.9575 11.9575 12.6733 12.6733 13.2859 13.2859 k = 0.2411-0.2733 0.0000 ( 2711 PWs) bands (ev): -4.1689 -4.1689 -0.9872 -0.9872 -0.9680 -0.9680 1.8844 1.8844 3.6331 3.6331 3.8028 3.8028 4.1836 4.1836 6.0815 6.0815 6.2234 6.2234 6.9904 6.9904 7.5085 7.5085 7.5351 7.5351 7.8352 7.8352 7.9069 7.9069 8.2630 8.2630 8.4331 8.4331 8.6024 8.6024 8.9482 8.9482 9.0972 9.0972 9.7332 9.7332 11.8234 11.8234 11.9604 11.9604 12.7007 12.7007 13.3022 13.3022 k = 0.2321-0.2632 0.0000 ( 2715 PWs) bands (ev): -4.2194 -4.2194 -0.9472 -0.9472 -0.9416 -0.9416 1.9077 1.9077 3.6094 3.6094 3.8556 3.8556 4.1898 4.1898 6.0978 6.0978 6.2365 6.2365 7.0329 7.0329 7.4762 7.4762 7.5309 7.5309 7.8198 7.8198 7.8946 7.8946 8.2427 8.2427 8.4294 8.4294 8.6003 8.6003 8.8892 8.8892 9.1281 9.1281 9.7554 9.7554 11.7391 11.7391 11.9594 11.9594 12.7440 12.7440 13.3158 13.3158 k = 0.2232-0.2531 0.0000 ( 2717 PWs) bands (ev): -4.2686 -4.2686 -0.9255 -0.9255 -0.8978 -0.8978 1.9311 1.9311 3.5912 3.5912 3.9111 3.9111 4.1988 4.1988 6.1092 6.1092 6.2494 6.2494 7.0718 7.0718 7.4266 7.4266 7.5328 7.5328 7.8076 7.8076 7.8830 7.8830 8.2227 8.2227 8.4254 8.4254 8.5958 8.5958 8.8273 8.8273 9.1585 9.1585 9.7735 9.7735 11.6561 11.6561 11.9595 11.9595 12.7999 12.7999 13.3240 13.3240 k = 0.2143-0.2429 0.0000 ( 2719 PWs) bands (ev): -4.3166 -4.3166 -0.9051 -0.9051 -0.8542 -0.8542 1.9548 1.9548 3.5784 3.5784 3.9692 3.9692 4.2106 4.2106 6.1165 6.1165 6.2624 6.2624 7.1045 7.1045 7.3691 7.3691 7.5316 7.5316 7.7995 7.7995 7.8721 7.8721 8.2032 8.2032 8.4210 8.4210 8.5892 8.5892 8.7651 8.7651 9.1853 9.1853 9.7877 9.7877 11.5744 11.5744 11.9658 11.9658 12.8651 12.8651 13.3261 13.3261 k = 0.2054-0.2328 0.0000 ( 2719 PWs) bands (ev): -4.3632 -4.3632 -0.8855 -0.8855 -0.8114 -0.8114 1.9790 1.9790 3.5710 3.5710 4.0299 4.0299 4.2253 4.2253 6.1203 6.1203 6.2752 6.2752 7.1276 7.1276 7.3050 7.3050 7.5288 7.5288 7.7954 7.7954 7.8617 7.8617 8.1843 8.1843 8.4157 8.4157 8.5806 8.5806 8.7049 8.7049 9.2063 9.2063 9.7987 9.7987 11.4942 11.4942 11.9824 11.9824 12.9368 12.9368 13.3234 13.3234 k = 0.1964-0.2227 0.0000 ( 2721 PWs) bands (ev): -4.4083 -4.4083 -0.8668 -0.8668 -0.7696 -0.7696 2.0037 2.0037 3.5685 3.5685 4.0931 4.0931 4.2429 4.2429 6.1212 6.1212 6.2880 6.2880 7.1375 7.1375 7.2350 7.2350 7.5274 7.5274 7.7944 7.7944 7.8520 7.8520 8.1658 8.1658 8.4087 8.4087 8.5684 8.5684 8.6501 8.6501 9.2203 9.2203 9.8068 9.8068 11.4159 11.4159 12.0124 12.0124 13.0123 13.0123 13.3171 13.3171 k = 0.1875-0.2126 0.0000 ( 2717 PWs) bands (ev): -4.4519 -4.4519 -0.8488 -0.8488 -0.7291 -0.7291 2.0294 2.0294 3.5707 3.5707 4.1589 4.1589 4.2633 4.2633 6.1197 6.1197 6.3005 6.3005 7.1253 7.1253 7.1662 7.1662 7.5303 7.5303 7.7949 7.7949 7.8429 7.8429 8.1476 8.1476 8.3988 8.3988 8.5481 8.5481 8.6083 8.6083 9.2267 9.2267 9.8126 9.8126 11.3398 11.3398 12.0579 12.0579 13.0893 13.0893 13.3081 13.3081 k = 0.1786-0.2025 0.0000 ( 2715 PWs) bands (ev): -4.4939 -4.4939 -0.8317 -0.8317 -0.6900 -0.6900 2.0562 2.0562 3.5773 3.5773 4.2272 4.2272 4.2867 4.2867 6.1160 6.1160 6.3130 6.3130 7.0618 7.0618 7.1285 7.1285 7.5386 7.5386 7.7950 7.7950 7.8345 7.8345 8.1291 8.1291 8.3831 8.3831 8.5172 8.5172 8.5855 8.5855 9.2259 9.2259 9.8164 9.8164 11.2662 11.2662 12.1198 12.1198 13.1647 13.1647 13.2968 13.2968 k = 0.1696-0.1923 0.0000 ( 2719 PWs) bands (ev): -4.5342 -4.5342 -0.8156 -0.8156 -0.6526 -0.6526 2.0843 2.0843 3.5878 3.5878 4.2969 4.2969 4.3137 4.3137 6.1103 6.1103 6.3252 6.3252 6.9748 6.9748 7.0966 7.0966 7.5511 7.5511 7.7928 7.7928 7.8268 7.8268 8.1099 8.1099 8.3582 8.3582 8.4880 8.4880 8.5738 8.5738 9.2187 9.2187 9.8186 9.8186 11.1956 11.1956 12.1981 12.1981 13.2324 13.2324 13.2838 13.2838 k = 0.1607-0.1822 0.0000 ( 2721 PWs) bands (ev): -4.5728 -4.5728 -0.8003 -0.8003 -0.6171 -0.6171 2.1140 2.1140 3.6018 3.6018 4.3400 4.3400 4.3725 4.3725 6.1030 6.1030 6.3372 6.3372 6.8812 6.8812 7.0574 7.0574 7.5659 7.5659 7.7873 7.7873 7.8192 7.8192 8.0899 8.0899 8.3232 8.3232 8.4684 8.4684 8.5668 8.5668 9.2071 9.2071 9.8196 9.8196 11.1283 11.1283 12.2922 12.2922 13.2658 13.2658 13.2823 13.2823 k = 0.1518-0.1721 0.0000 ( 2721 PWs) bands (ev): -4.6095 -4.6095 -0.7859 -0.7859 -0.5835 -0.5835 2.1455 2.1455 3.6189 3.6189 4.3715 4.3715 4.4479 4.4479 6.0940 6.0940 6.3488 6.3488 6.7835 6.7835 7.0122 7.0122 7.5808 7.5808 7.7779 7.7779 7.8102 7.8102 8.0690 8.0690 8.2819 8.2819 8.4576 8.4576 8.5625 8.5625 9.1930 9.1930 9.8195 9.8195 11.0646 11.0646 12.4005 12.4005 13.2508 13.2508 13.2819 13.2819 k = 0.1429-0.1620 0.0000 ( 2717 PWs) bands (ev): -4.6444 -4.6444 -0.7725 -0.7725 -0.5520 -0.5520 2.1787 2.1787 3.6385 3.6385 4.4051 4.4051 4.5259 4.5259 6.0836 6.0836 6.3597 6.3597 6.6834 6.6834 6.9628 6.9628 7.5941 7.5941 7.7643 7.7643 7.7983 7.7983 8.0478 8.0478 8.2383 8.2383 8.4523 8.4523 8.5605 8.5605 9.1786 9.1786 9.8187 9.8187 11.0047 11.0047 12.5211 12.5211 13.2276 13.2276 13.2365 13.2365 k = 0.1339-0.1518 0.0000 ( 2713 PWs) bands (ev): -4.6775 -4.6775 -0.7599 -0.7599 -0.5227 -0.5227 2.2139 2.2139 3.6603 3.6603 4.4408 4.4408 4.6063 4.6063 6.0716 6.0716 6.3688 6.3688 6.5831 6.5831 6.9109 6.9109 7.6034 7.6034 7.7454 7.7454 7.7834 7.7834 8.0273 8.0273 8.1951 8.1951 8.4504 8.4504 8.5605 8.5605 9.1657 9.1657 9.8172 9.8172 10.9488 10.9488 12.6512 12.6512 13.1524 13.1524 13.2161 13.2161 k = 0.1250-0.1417 0.0000 ( 2715 PWs) bands (ev): -4.7085 -4.7085 -0.7483 -0.7483 -0.4957 -0.4957 2.2508 2.2508 3.6836 3.6836 4.4785 4.4785 4.6889 4.6889 6.0580 6.0580 6.3711 6.3711 6.4884 6.4884 6.8579 6.8579 7.6045 7.6045 7.7214 7.7214 7.7671 7.7671 8.0089 8.0089 8.1539 8.1539 8.4504 8.4504 8.5623 8.5623 9.1560 9.1560 9.8152 9.8152 10.8970 10.8970 12.7837 12.7837 13.0721 13.0721 13.1975 13.1975 k = 0.1161-0.1316 0.0000 ( 2709 PWs) bands (ev): -4.7376 -4.7376 -0.7376 -0.7376 -0.4709 -0.4709 2.2894 2.2894 3.7081 3.7081 4.5180 4.5180 4.7735 4.7735 6.0427 6.0427 6.3370 6.3370 6.4304 6.4304 6.8050 6.8050 7.5887 7.5887 7.6993 7.6993 7.7500 7.7500 7.9932 7.9932 8.1157 8.1157 8.4517 8.4517 8.5656 8.5656 9.1504 9.1504 9.8130 9.8130 10.8494 10.8494 12.8783 12.8783 13.0348 13.0348 13.1789 13.1789 k = 0.1071-0.1215 0.0000 ( 2707 PWs) bands (ev): -4.7647 -4.7647 -0.7278 -0.7278 -0.4484 -0.4484 2.3294 2.3294 3.7332 3.7332 4.5589 4.5589 4.8601 4.8601 6.0256 6.0256 6.2512 6.2512 6.4252 6.4252 6.7531 6.7531 7.5475 7.5475 7.6883 7.6883 7.7320 7.7320 7.9801 7.9801 8.0815 8.0815 8.4535 8.4535 8.5697 8.5697 9.1497 9.1497 9.8106 9.8106 10.8060 10.8060 12.8411 12.8411 13.1349 13.1349 13.1607 13.1607 k = 0.0982-0.1114 0.0000 ( 2709 PWs) bands (ev): -4.7898 -4.7898 -0.7189 -0.7189 -0.4281 -0.4281 2.3704 2.3704 3.7584 3.7584 4.6010 4.6010 4.9482 4.9482 6.0063 6.0063 6.1552 6.1552 6.4324 6.4324 6.7032 6.7032 7.4851 7.4851 7.6848 7.6848 7.7135 7.7135 7.9691 7.9691 8.0519 8.0519 8.4555 8.4555 8.5743 8.5743 9.1539 9.1539 9.8081 9.8081 10.7667 10.7667 12.7623 12.7623 13.1425 13.1425 13.2823 13.2823 k = 0.0893-0.1012 0.0000 ( 2717 PWs) bands (ev): -4.8127 -4.8127 -0.7108 -0.7108 -0.4100 -0.4100 2.4121 2.4121 3.7832 3.7832 4.6439 4.6439 5.0377 5.0377 5.9842 5.9842 6.0607 6.0607 6.4420 6.4420 6.6560 6.6560 7.4095 7.4095 7.6787 7.6787 7.6991 7.6991 7.9593 7.9593 8.0275 8.0275 8.4574 8.4574 8.5789 8.5789 9.1625 9.1625 9.8055 9.8055 10.7315 10.7315 12.6808 12.6808 13.1253 13.1253 13.4354 13.4354 k = 0.0804-0.0911 0.0000 ( 2717 PWs) bands (ev): -4.8336 -4.8336 -0.7036 -0.7036 -0.3940 -0.3940 2.4536 2.4536 3.8073 3.8073 4.6871 4.6871 5.1282 5.1282 5.9514 5.9514 5.9787 5.9787 6.4520 6.4520 6.6122 6.6122 7.3255 7.3255 7.6605 7.6605 7.6962 7.6962 7.9503 7.9503 8.0083 8.0083 8.4592 8.4592 8.5831 8.5831 9.1750 9.1750 9.8031 9.8031 10.7002 10.7002 12.6024 12.6024 13.1091 13.1091 13.5864 13.5864 k = 0.0714-0.0810 0.0000 ( 2715 PWs) bands (ev): -4.8523 -4.8523 -0.6972 -0.6972 -0.3800 -0.3800 2.4945 2.4945 3.8301 3.8301 4.7300 4.7300 5.2190 5.2190 5.8760 5.8760 5.9424 5.9424 6.4621 6.4621 6.5726 6.5726 7.2363 7.2363 7.6371 7.6371 7.6973 7.6973 7.9416 7.9416 7.9942 7.9942 8.4610 8.4610 8.5868 8.5868 9.1903 9.1903 9.8008 9.8008 10.6728 10.6728 12.5290 12.5290 13.0941 13.0941 13.7302 13.7302 k = 0.0625-0.0709 0.0000 ( 2709 PWs) bands (ev): -4.8689 -4.8689 -0.6916 -0.6916 -0.3680 -0.3680 2.5338 2.5338 3.8513 3.8513 4.7720 4.7720 5.3095 5.3095 5.7966 5.7966 5.9151 5.9151 6.4716 6.4716 6.5377 6.5377 7.1443 7.1443 7.6128 7.6128 7.6988 7.6988 7.9334 7.9334 7.9843 7.9843 8.4624 8.4624 8.5899 8.5899 9.2073 9.2073 9.7987 9.7987 10.6490 10.6490 12.4616 12.4616 13.0805 13.0805 13.8626 13.8626 k = 0.0536-0.0607 0.0000 ( 2705 PWs) bands (ev): -4.8833 -4.8833 -0.6868 -0.6868 -0.3578 -0.3578 2.5707 2.5707 3.8704 3.8704 4.8123 4.8123 5.3986 5.3986 5.7239 5.7239 5.8880 5.8880 6.4799 6.4799 6.5082 6.5082 7.0519 7.0519 7.5888 7.5888 7.7003 7.7003 7.9261 7.9261 7.9773 7.9773 8.4637 8.4637 8.5924 8.5924 9.2249 9.2249 9.7969 9.7969 10.6288 10.6288 12.4013 12.4013 13.0684 13.0684 13.9781 13.9781 k = 0.0446-0.0506 0.0000 ( 2703 PWs) bands (ev): -4.8955 -4.8955 -0.6827 -0.6827 -0.3493 -0.3493 2.6042 2.6042 3.8872 3.8872 4.8498 4.8498 5.4844 5.4844 5.6599 5.6599 5.8614 5.8614 6.4782 6.4782 6.4929 6.4929 6.9616 6.9616 7.5665 7.5665 7.7014 7.7014 7.9199 7.9199 7.9725 7.9725 8.4648 8.4648 8.5943 8.5943 9.2419 9.2419 9.7953 9.7953 10.6119 10.6119 12.3487 12.3487 13.0579 13.0579 13.9845 13.9845 k = 0.0357-0.0405 0.0000 ( 2703 PWs) bands (ev): -4.9055 -4.9055 -0.6794 -0.6794 -0.3426 -0.3426 2.6334 2.6334 3.9013 3.9013 4.8834 4.8834 5.5634 5.5634 5.6072 5.6072 5.8363 5.8363 6.4601 6.4601 6.4978 6.4978 6.8765 6.8765 7.5469 7.5469 7.7022 7.7022 7.9149 7.9149 7.9692 7.9692 8.4657 8.4657 8.5957 8.5957 9.2574 9.2574 9.7939 9.7939 10.5983 10.5983 12.3046 12.3046 13.0492 13.0492 13.9821 13.9821 k = 0.0268-0.0304 0.0000 ( 2697 PWs) bands (ev): -4.9133 -4.9133 -0.6769 -0.6769 -0.3374 -0.3374 2.6573 2.6573 3.9125 3.9125 4.9117 4.9117 5.5600 5.5600 5.6393 5.6393 5.8143 5.8143 6.4450 6.4450 6.5031 6.5031 6.8006 6.8006 7.5306 7.5306 7.7028 7.7028 7.9111 7.9111 7.9669 7.9669 8.4664 8.4664 8.5967 8.5967 9.2706 9.2706 9.7930 9.7930 10.5878 10.5878 12.2696 12.2696 13.0423 13.0423 13.9801 13.9801 k = 0.0179-0.0202 0.0000 ( 2701 PWs) bands (ev): -4.9188 -4.9188 -0.6751 -0.6751 -0.3337 -0.3337 2.6750 2.6750 3.9207 3.9207 4.9333 4.9333 5.5287 5.5287 5.6974 5.6974 5.7967 5.7967 6.4343 6.4343 6.5071 6.5071 6.7391 6.7391 7.5185 7.5185 7.7031 7.7031 7.9084 7.9084 7.9654 7.9654 8.4668 8.4668 8.5974 8.5974 9.2805 9.2805 9.7922 9.7922 10.5804 10.5804 12.2442 12.2442 13.0373 13.0373 13.9788 13.9788 k = 0.0089-0.0101 0.0000 ( 2697 PWs) bands (ev): -4.9222 -4.9222 -0.6740 -0.6740 -0.3315 -0.3315 2.6859 2.6859 3.9256 3.9256 4.9470 4.9470 5.5094 5.5094 5.7370 5.7370 5.7848 5.7848 6.4281 6.4281 6.5095 6.5095 6.6983 6.6983 7.5110 7.5110 7.7033 7.7033 7.9069 7.9069 7.9645 7.9645 8.4672 8.4672 8.5978 8.5978 9.2867 9.2867 9.7917 9.7917 10.5760 10.5760 12.2288 12.2288 13.0343 13.0343 13.9780 13.9780 k = 0.0000 0.0000 0.0000 ( 2693 PWs) bands (ev): -4.9233 -4.9233 -0.6736 -0.6736 -0.3308 -0.3308 2.6896 2.6896 3.9273 3.9273 4.9516 4.9516 5.5030 5.5030 5.7518 5.7518 5.7800 5.7800 6.4261 6.4261 6.5102 6.5102 6.6839 6.6839 7.5085 7.5085 7.7034 7.7034 7.9064 7.9064 7.9643 7.9643 8.4674 8.4674 8.5980 8.5980 9.2888 9.2888 9.7916 9.7916 10.5746 10.5746 12.2237 12.2237 13.0333 13.0333 13.9778 13.9778 k = 0.0000 0.0000 0.0000 ( 2693 PWs) bands (ev): -4.9233 -4.9233 -0.6736 -0.6736 -0.3308 -0.3308 2.6896 2.6896 3.9273 3.9273 4.9516 4.9516 5.5030 5.5030 5.7518 5.7518 5.7800 5.7800 6.4261 6.4261 6.5102 6.5102 6.6839 6.6839 7.5085 7.5085 7.7034 7.7034 7.9064 7.9064 7.9643 7.9643 8.4674 8.4674 8.5980 8.5980 9.2888 9.2888 9.7916 9.7916 10.5746 10.5746 12.2237 12.2237 13.0333 13.0333 13.9778 13.9778 k = 0.0125-0.0016-0.0047 ( 2693 PWs) bands (ev): -4.9221 -4.9221 -0.6835 -0.6835 -0.3210 -0.3210 2.6852 2.6852 3.9258 3.9258 4.9507 4.9507 5.5023 5.5023 5.7462 5.7462 5.7838 5.7838 6.4208 6.4208 6.5170 6.5170 6.6925 6.6925 7.5105 7.5105 7.7035 7.7035 7.9070 7.9070 7.9646 7.9646 8.4671 8.4671 8.5974 8.5974 9.2874 9.2874 9.7913 9.7913 10.5752 10.5752 12.2230 12.2230 13.0271 13.0271 13.9815 13.9815 k = 0.0250-0.0031-0.0095 ( 2697 PWs) bands (ev): -4.9187 -4.9187 -0.7103 -0.7103 -0.2945 -0.2945 2.6719 2.6719 3.9215 3.9215 4.9483 4.9483 5.5007 5.5007 5.7296 5.7296 5.7950 5.7950 6.4083 6.4083 6.5341 6.5341 6.7177 6.7177 7.5165 7.5165 7.7039 7.7039 7.9090 7.9090 7.9654 7.9654 8.4662 8.4662 8.5958 8.5958 9.2832 9.2832 9.7902 9.7902 10.5770 10.5770 12.2211 12.2211 13.0090 13.0090 13.9925 13.9925 k = 0.0375-0.0047-0.0142 ( 2698 PWs) bands (ev): -4.9130 -4.9130 -0.7485 -0.7485 -0.2568 -0.2568 2.6503 2.6503 3.9142 3.9142 4.9445 4.9445 5.4989 5.4989 5.7041 5.7041 5.8124 5.8124 6.3925 6.3925 6.5574 6.5574 6.7573 6.7573 7.5264 7.5264 7.7047 7.7047 7.9122 7.9122 7.9671 7.9671 8.4648 8.4648 8.5932 8.5932 9.2764 9.2764 9.7885 9.7885 10.5801 10.5801 12.2177 12.2177 12.9800 12.9800 14.0094 14.0094 k = 0.0500-0.0063-0.0189 ( 2700 PWs) bands (ev): -4.9050 -4.9050 -0.7937 -0.7937 -0.2124 -0.2124 2.6207 2.6207 3.9036 3.9036 4.9401 4.9401 5.4977 5.4977 5.6721 5.6721 5.8343 5.8343 6.3756 6.3756 6.5849 6.5849 6.8087 6.8087 7.5397 7.5397 7.7058 7.7058 7.9164 7.9164 7.9698 7.9698 8.4626 8.4626 8.5896 8.5896 9.2673 9.2673 9.7861 9.7861 10.5847 10.5847 12.2130 12.2130 12.9422 12.9422 14.0302 14.0302 k = 0.0625-0.0079-0.0236 ( 2700 PWs) bands (ev): -4.8947 -4.8947 -0.8430 -0.8430 -0.1642 -0.1642 2.5839 2.5839 3.8896 3.8896 4.9357 4.9357 5.4975 5.4975 5.6365 5.6365 5.8590 5.8590 6.3585 6.3585 6.6158 6.6158 6.8691 6.8691 7.5562 7.5562 7.7074 7.7074 7.9211 7.9211 7.9742 7.9742 8.4594 8.4594 8.5852 8.5852 9.2562 9.2562 9.7830 9.7830 10.5909 10.5909 12.2066 12.2066 12.8977 12.8977 14.0515 14.0515 k = 0.0750-0.0094-0.0284 ( 2700 PWs) bands (ev): -4.8821 -4.8821 -0.8949 -0.8949 -0.1140 -0.1140 2.5407 2.5407 3.8721 3.8721 4.9317 4.9317 5.4984 5.4984 5.5997 5.5997 5.8850 5.8850 6.3415 6.3415 6.6493 6.6493 6.9363 6.9363 7.5751 7.5751 7.7098 7.7098 7.9258 7.9258 7.9807 7.9807 8.4550 8.4550 8.5803 8.5803 9.2435 9.2435 9.7791 9.7791 10.5988 10.5988 12.1981 12.1981 12.8492 12.8492 14.0650 14.0650 k = 0.0875-0.0110-0.0331 ( 2700 PWs) bands (ev): -4.8673 -4.8673 -0.9485 -0.9485 -0.0629 -0.0629 2.4921 2.4921 3.8508 3.8508 4.9287 4.9287 5.4994 5.4994 5.5646 5.5646 5.9113 5.9113 6.3250 6.3250 6.6851 6.6851 7.0079 7.0079 7.5958 7.5958 7.7133 7.7133 7.9300 7.9300 7.9902 7.9902 8.4489 8.4489 8.5750 8.5750 9.2299 9.2299 9.7746 9.7746 10.6088 10.6088 12.1868 12.1868 12.7998 12.7998 14.0284 14.0284 k = 0.1000-0.0126-0.0378 ( 2699 PWs) bands (ev): -4.8502 -4.8502 -1.0032 -1.0032 -0.0117 -0.0117 2.4390 2.4390 3.8260 3.8260 4.9268 4.9268 5.4957 5.4957 5.5371 5.5371 5.9371 5.9371 6.3094 6.3094 6.7225 6.7225 7.0822 7.0822 7.6169 7.6169 7.7188 7.7188 7.9332 7.9332 8.0029 8.0029 8.4407 8.4407 8.5699 8.5699 9.2158 9.2158 9.7693 9.7693 10.6210 10.6210 12.1717 12.1717 12.7523 12.7523 13.9647 13.9647 k = 0.1125-0.0142-0.0425 ( 2698 PWs) bands (ev): -4.8309 -4.8309 -1.0588 -1.0588 0.0392 0.0392 2.3825 2.3825 3.7976 3.7976 4.9262 4.9262 5.4771 5.4771 5.5283 5.5283 5.9620 5.9620 6.2951 6.2951 6.7606 6.7606 7.1577 7.1577 7.6367 7.6367 7.7276 7.7276 7.9356 7.9356 8.0190 8.0190 8.4301 8.4301 8.5652 8.5652 9.2018 9.2018 9.7632 9.7632 10.6356 10.6356 12.1515 12.1515 12.7098 12.7098 13.8944 13.8944 k = 0.1250-0.0157-0.0473 ( 2706 PWs) bands (ev): -4.8094 -4.8094 -1.1149 -1.1149 0.0891 0.0891 2.3235 2.3235 3.7661 3.7661 4.9267 4.9267 5.4508 5.4508 5.5315 5.5315 5.9857 5.9857 6.2823 6.2823 6.7988 6.7988 7.2328 7.2328 7.6534 7.6534 7.7413 7.7413 7.9372 7.9372 8.0379 8.0379 8.4169 8.4169 8.5614 8.5614 9.1885 9.1885 9.7562 9.7562 10.6529 10.6529 12.1251 12.1251 12.6749 12.6749 13.8191 13.8191 k = 0.1375-0.0173-0.0520 ( 2710 PWs) bands (ev): -4.7857 -4.7857 -1.1716 -1.1716 0.1376 0.1376 2.2631 2.2631 3.7316 3.7316 4.9281 4.9281 5.4257 5.4257 5.5382 5.5382 6.0081 6.0081 6.2717 6.2717 6.8359 6.8359 7.3063 7.3063 7.6658 7.6658 7.7609 7.7609 7.9382 7.9382 8.0590 8.0590 8.4014 8.4014 8.5588 8.5588 9.1765 9.1765 9.7484 9.7484 10.6730 10.6730 12.0922 12.0922 12.6495 12.6495 13.7394 13.7394 k = 0.1500-0.0189-0.0567 ( 2710 PWs) bands (ev): -4.7599 -4.7599 -1.2288 -1.2288 0.1843 0.1843 2.2024 2.2024 3.6946 3.6946 4.9301 4.9301 5.4040 5.4040 5.5459 5.5459 6.0291 6.0291 6.2637 6.2637 6.8712 6.8712 7.3769 7.3769 7.6748 7.6748 7.7855 7.7855 7.9390 7.9390 8.0814 8.0814 8.3845 8.3845 8.5573 8.5573 9.1663 9.1663 9.7398 9.7398 10.6961 10.6961 12.0529 12.0529 12.6339 12.6339 13.6563 13.6563 k = 0.1625-0.0205-0.0614 ( 2707 PWs) bands (ev): -4.7319 -4.7319 -1.2864 -1.2864 0.2285 0.2285 2.1423 2.1423 3.6556 3.6556 4.9324 4.9324 5.3865 5.3865 5.5540 5.5540 6.0486 6.0486 6.2589 6.2589 6.9038 6.9038 7.4429 7.4429 7.6825 7.6825 7.8134 7.8134 7.9397 7.9397 8.1030 8.1030 8.3678 8.3678 8.5571 8.5571 9.1581 9.1581 9.7301 9.7301 10.7224 10.7224 12.0087 12.0087 12.6274 12.6274 13.5708 13.5708 k = 0.1750-0.0220-0.0662 ( 2707 PWs) bands (ev): -4.7018 -4.7018 -1.3444 -1.3444 0.2699 0.2699 2.0840 2.0840 3.6148 3.6148 4.9348 4.9348 5.3732 5.3732 5.5619 5.5619 6.0666 6.0666 6.2578 6.2578 6.9330 6.9330 7.5023 7.5023 7.6911 7.6911 7.8431 7.8431 7.9406 7.9406 8.1212 8.1212 8.3540 8.3540 8.5581 8.5581 9.1523 9.1523 9.7194 9.7194 10.7518 10.7518 11.9614 11.9614 12.6282 12.6282 13.4838 13.4838 k = 0.1875-0.0236-0.0709 ( 2709 PWs) bands (ev): -4.6696 -4.6696 -1.4029 -1.4029 0.3077 0.3077 2.0283 2.0283 3.5728 3.5728 4.9371 4.9371 5.3641 5.3641 5.5696 5.5696 6.0829 6.0829 6.2609 6.2609 6.9580 6.9580 7.5519 7.5519 7.7036 7.7036 7.8734 7.8734 7.9423 7.9423 8.1323 8.1323 8.3468 8.3468 8.5601 8.5601 9.1489 9.1489 9.7077 9.7077 10.7844 10.7844 11.9129 11.9129 12.6339 12.6339 13.3963 13.3963 k = 0.2000-0.0252-0.0756 ( 2708 PWs) bands (ev): -4.6354 -4.6354 -1.4618 -1.4618 0.3415 0.3415 1.9764 1.9764 3.5300 3.5300 4.9394 4.9394 5.3585 5.3585 5.5769 5.5769 6.0974 6.0974 6.2687 6.2687 6.9783 6.9783 7.5883 7.5883 7.7232 7.7232 7.9018 7.9018 7.9472 7.9472 8.1329 8.1329 8.3493 8.3493 8.5632 8.5632 9.1478 9.1478 9.6950 9.6950 10.8201 10.8201 11.8652 11.8652 12.6415 12.6415 13.3086 13.3086 k = 0.2125-0.0267-0.0803 ( 2703 PWs) bands (ev): -4.5992 -4.5992 -1.5213 -1.5213 0.3706 0.3706 1.9291 1.9291 3.4866 3.4866 4.9418 4.9418 5.3559 5.3559 5.5840 5.5840 6.1101 6.1101 6.2813 6.2813 6.9936 6.9936 7.6104 7.6104 7.7503 7.7503 7.9213 7.9213 7.9622 7.9622 8.1232 8.1232 8.3615 8.3615 8.5674 8.5674 9.1489 9.1489 9.6813 9.6813 10.8588 10.8588 11.8198 11.8198 12.6477 12.6477 13.2207 13.2207 k = 0.2250-0.0283-0.0851 ( 2698 PWs) bands (ev): -4.5610 -4.5610 -1.5812 -1.5812 0.3945 0.3945 1.8873 1.8873 3.4432 3.4432 4.9446 4.9446 5.3554 5.3554 5.5911 5.5911 6.1214 6.1214 6.2985 6.2985 7.0034 7.0034 7.6220 7.6220 7.7804 7.7804 7.9293 7.9293 7.9901 7.9901 8.1065 8.1065 8.3804 8.3804 8.5726 8.5726 9.1517 9.1517 9.6665 9.6665 10.9001 10.9001 11.7779 11.7779 12.6494 12.6494 13.1324 13.1324 k = 0.2375-0.0299-0.0898 ( 2699 PWs) bands (ev): -4.5209 -4.5209 -1.6417 -1.6417 0.4128 0.4128 1.8517 1.8517 3.4000 3.4000 4.9480 4.9480 5.3561 5.3561 5.5986 5.5986 6.1314 6.1314 6.3199 6.3199 7.0075 7.0075 7.6278 7.6278 7.8080 7.8080 7.9335 7.9335 8.0218 8.0218 8.0884 8.0884 8.4022 8.4022 8.5789 8.5789 9.1558 9.1558 9.6507 9.6507 10.9436 10.9436 11.7407 11.7407 12.6440 12.6440 13.0432 13.0432 k = 0.2500-0.0315-0.0945 ( 2699 PWs) bands (ev): -4.4791 -4.4791 -1.7028 -1.7028 0.4250 0.4250 1.8229 1.8229 3.3573 3.3573 4.9523 4.9523 5.3571 5.3571 5.6069 5.6069 6.1406 6.1406 6.3450 6.3450 7.0057 7.0057 7.6305 7.6305 7.8294 7.8294 7.9380 7.9380 8.0413 8.0413 8.0844 8.0844 8.4242 8.4242 8.5864 8.5864 9.1605 9.1605 9.6338 9.6338 10.9889 10.9889 11.7090 11.7090 12.6303 12.6303 12.9527 12.9527 k = 0.2625-0.0330-0.0993 ( 2703 PWs) bands (ev): -4.4354 -4.4354 -1.7645 -1.7645 0.4313 0.4313 1.8011 1.8011 3.3154 3.3154 4.9578 4.9578 5.3577 5.3577 5.6161 5.6161 6.1494 6.1494 6.3731 6.3731 6.9982 6.9982 7.6317 7.6317 7.8424 7.8424 7.9444 7.9444 8.0317 8.0317 8.1126 8.1126 8.4445 8.4445 8.5953 8.5953 9.1652 9.1652 9.6161 9.6161 11.0354 11.0354 11.6835 11.6835 12.6093 12.6093 12.8613 12.8613 k = 0.2750-0.0346-0.1040 ( 2698 PWs) bands (ev): -4.3901 -4.3901 -1.8268 -1.8268 0.4316 0.4316 1.7864 1.7864 3.2746 3.2746 4.9647 4.9647 5.3573 5.3573 5.6266 5.6266 6.1579 6.1579 6.4038 6.4038 6.9851 6.9851 7.6323 7.6323 7.8470 7.8470 7.9522 7.9522 8.0169 8.0169 8.1499 8.1499 8.4622 8.4622 8.6055 8.6055 9.1694 9.1694 9.5974 9.5974 11.0820 11.0820 11.6647 11.6647 12.5834 12.5834 12.7695 12.7695 k = 0.2875-0.0362-0.1087 ( 2694 PWs) bands (ev): -4.3432 -4.3432 -1.8896 -1.8896 0.4264 0.4264 1.7783 1.7783 3.2351 3.2351 4.9732 4.9732 5.3556 5.3556 5.6382 5.6382 6.1664 6.1664 6.4365 6.4365 6.9668 6.9668 7.6325 7.6325 7.8447 7.8447 7.9595 7.9595 8.0056 8.0056 8.1886 8.1886 8.4770 8.4770 8.6169 8.6169 9.1723 9.1723 9.5781 9.5781 11.1281 11.1281 11.6530 11.6530 12.5549 12.5549 12.6783 12.6783 k = 0.3000-0.0378-0.1134 ( 2696 PWs) bands (ev): -4.2947 -4.2947 -1.9529 -1.9529 0.4163 0.4163 1.7763 1.7763 3.1971 3.1971 4.9834 4.9834 5.3527 5.3527 5.6507 5.6507 6.1747 6.1747 6.4707 6.4707 6.9438 6.9438 7.6325 7.6325 7.8376 7.8376 7.9632 7.9632 8.0006 8.0006 8.2271 8.2271 8.4889 8.4889 8.6292 8.6292 9.1732 9.1732 9.5580 9.5580 11.1723 11.1723 11.6489 11.6489 12.5242 12.5242 12.5910 12.5910 k = 0.3125-0.0393-0.1182 ( 2699 PWs) bands (ev): -4.2449 -4.2449 -2.0167 -2.0167 0.4021 0.4021 1.7797 1.7797 3.1607 3.1607 4.9953 4.9953 5.3488 5.3488 5.6636 5.6636 6.1829 6.1829 6.5060 6.5060 6.9169 6.9169 7.6321 7.6321 7.8279 7.8279 7.9624 7.9624 8.0020 8.0020 8.2646 8.2646 8.4984 8.4984 8.6420 8.6420 9.1718 9.1718 9.5375 9.5375 11.2137 11.2137 11.6523 11.6523 12.4752 12.4752 12.5268 12.5268 k = 0.3250-0.0409-0.1229 ( 2707 PWs) bands (ev): -4.1939 -4.1939 -2.0808 -2.0808 0.3847 0.3847 1.7875 1.7875 3.1263 3.1263 5.0088 5.0088 5.3440 5.3440 5.6763 5.6763 6.1910 6.1910 6.5417 6.5417 6.8872 6.8872 7.6311 7.6311 7.8171 7.8171 7.9592 7.9592 8.0063 8.0063 8.3007 8.3007 8.5059 8.5059 8.6550 8.6550 9.1677 9.1677 9.5167 9.5167 11.2514 11.2514 11.6631 11.6631 12.3954 12.3954 12.5001 12.5001 k = 0.3375-0.0425-0.1276 ( 2707 PWs) bands (ev): -4.1418 -4.1418 -2.1451 -2.1451 0.3650 0.3650 1.7989 1.7989 3.0938 3.0938 5.0239 5.0239 5.3390 5.3390 5.6882 5.6882 6.1989 6.1989 6.5772 6.5772 6.8559 6.8559 7.6294 7.6294 7.8066 7.8066 7.9559 7.9559 8.0112 8.0112 8.3351 8.3351 8.5119 8.5119 8.6679 8.6679 9.1607 9.1607 9.4960 9.4960 11.2846 11.2846 11.6809 11.6809 12.3107 12.3107 12.4869 12.4869 k = 0.3500-0.0441-0.1323 ( 2708 PWs) bands (ev): -4.0888 -4.0888 -2.2094 -2.2094 0.3439 0.3439 1.8128 1.8128 3.0634 3.0634 5.0404 5.0404 5.3340 5.3340 5.6987 5.6987 6.2066 6.2066 6.6113 6.6113 6.8251 6.8251 7.6265 7.6265 7.7973 7.7973 7.9529 7.9529 8.0156 8.0156 8.3674 8.3674 8.5172 8.5172 8.6803 8.6803 9.1506 9.1506 9.4758 9.4758 11.3132 11.3132 11.7048 11.7048 12.2277 12.2277 12.4819 12.4819 k = 0.3625-0.0456-0.1371 ( 2709 PWs) bands (ev): -4.0352 -4.0352 -2.2736 -2.2736 0.3221 0.3221 1.8285 1.8285 3.0353 3.0353 5.0579 5.0579 5.3298 5.3298 5.7071 5.7071 6.2138 6.2138 6.6415 6.6415 6.7978 6.7978 7.6219 7.6219 7.7897 7.7897 7.9504 7.9504 8.0191 8.0191 8.3972 8.3972 8.5224 8.5224 8.6923 8.6923 9.1375 9.1375 9.4563 9.4563 11.3375 11.3375 11.7334 11.7334 12.1476 12.1476 12.4841 12.4841 k = 0.3750-0.0472-0.1418 ( 2711 PWs) bands (ev): -3.9813 -3.9813 -2.3372 -2.3372 0.3004 0.3004 1.8451 1.8451 3.0095 3.0095 5.0759 5.0759 5.3269 5.3269 5.7129 5.7129 6.2204 6.2204 6.6616 6.6616 6.7807 6.7807 7.6154 7.6154 7.7842 7.7842 7.9483 7.9483 8.0218 8.0218 8.4238 8.4238 8.5283 8.5283 8.7037 8.7037 9.1215 9.1215 9.4380 9.4380 11.3580 11.3580 11.7650 11.7650 12.0715 12.0715 12.4927 12.4927 k = 0.3875-0.0488-0.1465 ( 2713 PWs) bands (ev): -3.9275 -3.9275 -2.4000 -2.4000 0.2793 0.2793 1.8619 1.8619 2.9861 2.9861 5.0939 5.0939 5.3260 5.3260 5.7154 5.7154 6.2264 6.2264 6.6631 6.6631 6.7831 6.7831 7.6069 7.6069 7.7808 7.7808 7.9465 7.9465 8.0238 8.0238 8.4463 8.4463 8.5362 8.5362 8.7143 8.7143 9.1029 9.1029 9.4211 9.4211 11.3756 11.3756 11.7975 11.7975 12.0007 12.0007 12.5068 12.5068 k = 0.4000-0.0503-0.1512 ( 2715 PWs) bands (ev): -3.8741 -3.8741 -2.4613 -2.4613 0.2593 0.2593 1.8784 1.8784 2.9651 2.9651 5.1110 5.1110 5.3280 5.3280 5.7145 5.7145 6.2316 6.2316 6.6485 6.6485 6.8029 6.8029 7.5967 7.5967 7.7792 7.7792 7.9451 7.9451 8.0252 8.0252 8.4635 8.4635 8.5472 8.5472 8.7241 8.7241 9.0822 9.0822 9.4059 9.4059 11.3912 11.3912 11.8259 11.8259 11.9391 11.9391 12.5250 12.5250 k = 0.4125-0.0519-0.1560 ( 2714 PWs) bands (ev): -3.8220 -3.8220 -2.5206 -2.5206 0.2409 0.2409 1.8939 1.8939 2.9466 2.9466 5.1262 5.1262 5.3334 5.3334 5.7098 5.7098 6.2359 6.2359 6.6284 6.6284 6.8297 6.8297 7.5852 7.5852 7.7792 7.7792 7.9440 7.9440 8.0261 8.0261 8.4751 8.4751 8.5618 8.5618 8.7330 8.7330 9.0601 9.0601 9.3924 9.3924 11.4056 11.4056 11.8281 11.8281 11.9080 11.9080 12.5459 12.5459 k = 0.4250-0.0535-0.1607 ( 2710 PWs) bands (ev): -3.7718 -3.7718 -2.5771 -2.5771 0.2243 0.2243 1.9082 1.9082 2.9306 2.9306 5.1390 5.1390 5.3429 5.3429 5.7015 5.7015 6.2394 6.2394 6.6083 6.6083 6.8579 6.8579 7.5730 7.5730 7.7803 7.7803 7.9431 7.9431 8.0267 8.0267 8.4822 8.4822 8.5790 8.5790 8.7408 8.7408 9.0375 9.0375 9.3809 9.3809 11.4197 11.4197 11.7868 11.7868 11.9239 11.9239 12.5679 12.5679 k = 0.4375-0.0551-0.1654 ( 2707 PWs) bands (ev): -3.7246 -3.7246 -2.6295 -2.6295 0.2099 0.2099 1.9208 1.9208 2.9171 2.9171 5.1488 5.1488 5.3561 5.3561 5.6898 5.6898 6.2420 6.2420 6.5906 6.5906 6.8847 6.8847 7.5607 7.5607 7.7819 7.7819 7.9424 7.9424 8.0271 8.0271 8.4863 8.4863 8.5971 8.5971 8.7475 8.7475 9.0153 9.0153 9.3711 9.3711 11.4343 11.4343 11.7365 11.7365 11.9510 11.9510 12.5894 12.5894 k = 0.4500-0.0566-0.1701 ( 2709 PWs) bands (ev): -3.6819 -3.6819 -2.6767 -2.6767 0.1979 0.1979 1.9314 1.9314 2.9061 2.9061 5.1558 5.1558 5.3723 5.3723 5.6757 5.6757 6.2438 6.2438 6.5761 6.5761 6.9088 6.9088 7.5489 7.5489 7.7838 7.7838 7.9419 7.9419 8.0273 8.0273 8.4885 8.4885 8.6147 8.6147 8.7529 8.7529 8.9944 8.9944 9.3631 9.3631 11.4502 11.4502 11.6884 11.6884 11.9772 11.9772 12.6092 12.6092 k = 0.4625-0.0582-0.1749 ( 2707 PWs) bands (ev): -3.6454 -3.6454 -2.7167 -2.7167 0.1884 0.1884 1.9399 1.9399 2.8975 2.8975 5.1604 5.1604 5.3898 5.3898 5.6605 5.6605 6.2449 6.2449 6.5650 6.5650 6.9289 6.9289 7.5387 7.5387 7.7856 7.7856 7.9415 7.9415 8.0274 8.0274 8.4897 8.4897 8.6305 8.6305 8.7568 8.7568 8.9762 8.9762 9.3570 9.3570 11.4679 11.4679 11.6443 11.6443 11.9996 11.9996 12.6259 12.6259 k = 0.4750-0.0598-0.1796 ( 2705 PWs) bands (ev): -3.6170 -3.6170 -2.7475 -2.7475 0.1815 0.1815 1.9461 1.9461 2.8914 2.8914 5.1632 5.1632 5.4059 5.4059 5.6462 5.6462 6.2456 6.2456 6.5572 6.5572 6.9441 6.9441 7.5306 7.5306 7.7870 7.7870 7.9413 7.9413 8.0274 8.0274 8.4904 8.4904 8.6432 8.6432 8.7594 8.7594 8.9619 8.9619 9.3526 9.3526 11.4882 11.4882 11.6047 11.6047 12.0165 12.0165 12.6385 12.6385 k = 0.4875-0.0614-0.1843 ( 2702 PWs) bands (ev): -3.5989 -3.5989 -2.7671 -2.7671 0.1774 0.1774 1.9498 1.9498 2.8878 2.8878 5.1647 5.1647 5.4178 5.4178 5.6356 5.6356 6.2460 6.2460 6.5527 6.5527 6.9535 6.9535 7.5255 7.5255 7.7880 7.7880 7.9411 7.9411 8.0275 8.0275 8.4907 8.4907 8.6517 8.6517 8.7607 8.7607 8.9527 8.9527 9.3500 9.3500 11.5115 11.5115 11.5696 11.5696 12.0272 12.0272 12.6464 12.6464 k = 0.5000-0.0629-0.1891 ( 2700 PWs) bands (ev): -3.5927 -3.5927 -2.7738 -2.7738 0.1760 0.1760 1.9511 1.9511 2.8866 2.8866 5.1652 5.1652 5.4222 5.4222 5.6317 5.6317 6.2461 6.2461 6.5512 6.5512 6.9568 6.9568 7.5237 7.5237 7.7883 7.7883 7.9411 7.9411 8.0275 8.0275 8.4908 8.4908 8.6546 8.6546 8.7612 8.7612 8.9495 8.9495 9.3491 9.3491 11.5355 11.5355 11.5416 11.5416 12.0307 12.0307 12.6491 12.6491 k = 0.5000-0.0629 0.2442 ( 2728 PWs) bands (ev): -3.7800 -3.7800 -1.7011 -1.7011 -0.8865 -0.8865 0.7308 0.7308 4.2305 4.2305 5.0756 5.0756 5.2456 5.2456 5.3978 5.3978 6.2402 6.2402 7.2076 7.2076 7.4463 7.4463 7.5177 7.5177 7.7470 7.7470 8.0833 8.0833 8.4204 8.4204 8.5796 8.5796 8.6557 8.6557 9.0159 9.0159 9.6158 9.6158 9.6438 9.6438 10.4834 10.4834 10.9735 10.9735 11.0552 11.0552 13.3665 13.3665 k = 0.4881-0.0614 0.2383 ( 2726 PWs) bands (ev): -3.7827 -3.7827 -1.6986 -1.6986 -0.8855 -0.8855 0.7332 0.7332 4.2309 4.2309 5.0758 5.0758 5.2299 5.2299 5.4126 5.4126 6.2331 6.2331 7.2128 7.2128 7.4460 7.4460 7.5163 7.5163 7.7474 7.7474 8.0857 8.0857 8.4209 8.4209 8.5786 8.5786 8.6554 8.6554 9.0097 9.0097 9.5843 9.5843 9.6725 9.6725 10.4900 10.4900 10.9672 10.9672 11.0660 11.0660 13.3676 13.3676 k = 0.4762-0.0599 0.2325 ( 2727 PWs) bands (ev): -3.7910 -3.7910 -1.6909 -1.6909 -0.8826 -0.8826 0.7405 0.7405 4.2321 4.2321 5.0764 5.0764 5.1936 5.1936 5.4461 5.4461 6.2125 6.2125 7.2276 7.2276 7.4442 7.4442 7.5136 7.5136 7.7487 7.7487 8.0925 8.0925 8.4221 8.4221 8.5755 8.5755 8.6548 8.6548 8.9920 8.9920 9.5397 9.5397 9.7085 9.7085 10.5092 10.5092 10.9549 10.9549 11.0921 11.0921 13.3708 13.3708 k = 0.4643-0.0584 0.2267 ( 2727 PWs) bands (ev): -3.8045 -3.8045 -1.6785 -1.6785 -0.8776 -0.8776 0.7525 0.7525 4.2341 4.2341 5.0767 5.0767 5.1501 5.1501 5.4855 5.4855 6.1804 6.1804 7.2492 7.2492 7.4383 7.4383 7.5137 7.5137 7.7506 7.7506 8.1033 8.1033 8.4239 8.4239 8.5694 8.5694 8.6537 8.6537 8.9653 8.9653 9.4920 9.4920 9.7416 9.7416 10.5396 10.5396 10.9443 10.9443 11.1263 11.1263 13.3757 13.3757 k = 0.4524-0.0569 0.2209 ( 2727 PWs) bands (ev): -3.8230 -3.8230 -1.6615 -1.6615 -0.8706 -0.8706 0.7693 0.7693 4.2367 4.2367 5.0724 5.0724 5.1086 5.1086 5.5256 5.5256 6.1398 6.1398 7.2738 7.2738 7.4261 7.4261 7.5212 7.5212 7.7530 7.7530 8.1172 8.1172 8.4255 8.4255 8.5591 8.5591 8.6521 8.6521 8.9331 8.9331 9.4417 9.4417 9.7707 9.7707 10.5788 10.5788 10.9389 10.9389 11.1659 11.1659 13.3819 13.3819 k = 0.4405-0.0554 0.2151 ( 2725 PWs) bands (ev): -3.8461 -3.8461 -1.6406 -1.6406 -0.8616 -0.8616 0.7909 0.7909 4.2399 4.2399 5.0418 5.0418 5.0928 5.0928 5.5639 5.5639 6.0935 6.0935 7.2970 7.2970 7.4086 7.4086 7.5380 7.5380 7.7557 7.7557 8.1335 8.1335 8.4258 8.4258 8.5434 8.5434 8.6501 8.6501 8.8999 8.8999 9.3891 9.3891 9.7957 9.7957 10.6241 10.6241 10.9412 10.9412 11.2101 11.2101 13.3887 13.3887 k = 0.4286-0.0539 0.2093 ( 2720 PWs) bands (ev): -3.8733 -3.8733 -1.6162 -1.6162 -0.8505 -0.8505 0.8172 0.8172 4.2434 4.2434 4.9954 4.9954 5.0934 5.0934 5.5983 5.5983 6.0450 6.0450 7.3139 7.3139 7.3898 7.3898 7.5635 7.5635 7.7587 7.7587 8.1514 8.1514 8.4216 8.4216 8.5228 8.5228 8.6477 8.6477 8.8700 8.8700 9.3341 9.3341 9.8164 9.8164 10.6722 10.6722 10.9530 10.9530 11.2586 11.2586 13.3951 13.3951 k = 0.4167-0.0524 0.2035 ( 2716 PWs) bands (ev): -3.9041 -3.9041 -1.5889 -1.5889 -0.8373 -0.8373 0.8482 0.8482 4.2469 4.2469 4.9474 4.9474 5.0966 5.0966 5.6264 5.6264 5.9980 5.9980 7.3165 7.3165 7.3780 7.3780 7.5962 7.5962 7.7620 7.7620 8.1702 8.1702 8.4060 8.4060 8.5027 8.5027 8.6450 8.6450 8.8462 8.8462 9.2772 9.2772 9.8328 9.8328 10.7201 10.7201 10.9758 10.9758 11.3114 11.3114 13.4003 13.4003 k = 0.4048-0.0509 0.1976 ( 2717 PWs) bands (ev): -3.9380 -3.9380 -1.5594 -1.5594 -0.8220 -0.8220 0.8838 0.8838 4.2501 4.2501 4.9002 4.9002 5.1005 5.1005 5.6450 5.6450 5.9569 5.9569 7.3006 7.3006 7.3788 7.3788 7.6335 7.6335 7.7656 7.7656 8.1892 8.1892 8.3713 8.3713 8.4913 8.4913 8.6420 8.6420 8.8289 8.8289 9.2188 9.2188 9.8452 9.8452 10.7657 10.7657 11.0101 11.0101 11.3688 11.3688 13.4036 13.4036 k = 0.3929-0.0494 0.1918 ( 2718 PWs) bands (ev): -3.9746 -3.9746 -1.5283 -1.5283 -0.8046 -0.8046 0.9239 0.9239 4.2526 4.2526 4.8549 4.8549 5.1048 5.1048 5.6497 5.6497 5.9273 5.9273 7.2745 7.2745 7.3853 7.3853 7.6726 7.6726 7.7698 7.7698 8.2070 8.2070 8.3206 8.3206 8.4885 8.4885 8.6389 8.6389 8.8168 8.8168 9.1596 9.1596 9.8538 9.8538 10.8089 10.8089 11.0544 11.0544 11.4310 11.4310 13.4043 13.4043 k = 0.3810-0.0479 0.1860 ( 2721 PWs) bands (ev): -4.0133 -4.0133 -1.4959 -1.4959 -0.7852 -0.7852 0.9684 0.9684 4.2539 4.2539 4.8124 4.8124 5.1089 5.1089 5.6378 5.6378 5.9126 5.9126 7.2446 7.2446 7.3924 7.3924 7.7104 7.7104 7.7751 7.7751 8.2144 8.2144 8.2696 8.2696 8.4901 8.4901 8.6357 8.6357 8.8078 8.8078 9.1004 9.1004 9.8590 9.8590 10.8512 10.8512 11.1058 11.1058 11.4983 11.4983 13.4022 13.4022 k = 0.3690-0.0464 0.1802 ( 2722 PWs) bands (ev): -4.0537 -4.0537 -1.4630 -1.4630 -0.7637 -0.7637 1.0172 1.0172 4.2531 4.2531 4.7735 4.7735 5.1124 5.1124 5.6117 5.6117 5.9116 5.9116 7.2129 7.2129 7.3990 7.3990 7.7428 7.7428 7.7842 7.7842 8.1714 8.1714 8.2633 8.2633 8.4933 8.4933 8.6325 8.6325 8.7997 8.7997 9.0425 9.0425 9.8612 9.8612 10.8943 10.8943 11.1610 11.1610 11.5707 11.5707 13.3973 13.3973 k = 0.3571-0.0449 0.1744 ( 2723 PWs) bands (ev): -4.0954 -4.0954 -1.4297 -1.4297 -0.7405 -0.7405 1.0702 1.0702 4.2497 4.2497 4.7392 4.7392 5.1147 5.1147 5.5776 5.5776 5.9191 5.9191 7.1799 7.1799 7.4048 7.4048 7.7625 7.7625 7.8022 7.8022 8.1036 8.1036 8.2793 8.2793 8.4966 8.4966 8.6292 8.6292 8.7902 8.7902 8.9877 8.9877 9.8611 9.8611 10.9396 10.9396 11.2172 11.2172 11.6479 11.6479 13.3898 13.3898 k = 0.3452-0.0435 0.1686 ( 2718 PWs) bands (ev): -4.1380 -4.1380 -1.3965 -1.3965 -0.7155 -0.7155 1.1271 1.1271 4.2429 4.2429 4.7102 4.7102 5.1153 5.1153 5.5414 5.5414 5.9302 5.9302 7.1457 7.1457 7.4098 7.4098 7.7712 7.7712 7.8256 7.8256 8.0339 8.0339 8.2975 8.2975 8.4989 8.4989 8.6256 8.6256 8.7775 8.7775 8.9387 8.9387 9.8590 9.8590 10.9875 10.9875 11.2725 11.2725 11.7295 11.7295 13.3797 13.3797 k = 0.3333-0.0420 0.1628 ( 2720 PWs) bands (ev): -4.1812 -4.1812 -1.3637 -1.3637 -0.6891 -0.6891 1.1878 1.1878 4.2321 4.2321 4.6873 4.6873 5.1132 5.1132 5.5075 5.5075 5.9418 5.9418 7.1101 7.1101 7.4138 7.4138 7.7757 7.7757 7.8429 7.8429 7.9701 7.9701 8.3153 8.3153 8.4989 8.4989 8.6211 8.6211 8.7597 8.7597 8.8989 8.8989 9.8556 9.8556 11.0381 11.0381 11.3254 11.3254 11.8150 11.8150 13.3672 13.3672 k = 0.3214-0.0405 0.1570 ( 2719 PWs) bands (ev): -4.2246 -4.2246 -1.3313 -1.3313 -0.6615 -0.6615 1.2520 1.2520 4.2173 4.2173 4.6705 4.6705 5.1079 5.1079 5.4786 5.4786 5.9523 5.9523 7.0726 7.0726 7.4168 7.4168 7.7776 7.7776 7.8378 7.8378 7.9282 7.9282 8.3317 8.3317 8.4952 8.4952 8.6148 8.6148 8.7366 8.7366 8.8713 8.8713 9.8514 9.8514 11.0907 11.0907 11.3745 11.3745 11.9037 11.9037 13.3522 13.3522 k = 0.3095-0.0390 0.1511 ( 2717 PWs) bands (ev): -4.2679 -4.2679 -1.2994 -1.2994 -0.6330 -0.6330 1.3193 1.3193 4.1988 4.1988 4.6595 4.6595 5.0991 5.0991 5.4566 5.4566 5.9606 5.9606 7.0327 7.0327 7.4182 7.4182 7.7703 7.7703 7.8054 7.8054 7.9210 7.9210 8.3462 8.3462 8.4864 8.4864 8.6052 8.6052 8.7115 8.7115 8.8561 8.8561 9.8466 9.8466 11.1448 11.1448 11.4185 11.4185 11.9950 11.9950 13.3340 13.3340 k = 0.2976-0.0375 0.1453 ( 2717 PWs) bands (ev): -4.3110 -4.3110 -1.2682 -1.2682 -0.6040 -0.6040 1.3895 1.3895 4.1773 4.1773 4.6536 4.6536 5.0871 5.0871 5.4423 5.4423 5.9664 5.9664 6.9897 6.9897 7.4177 7.4177 7.7305 7.7305 7.7932 7.7932 7.9252 7.9252 8.3583 8.3583 8.4714 8.4714 8.5914 8.5914 8.6884 8.6884 8.8517 8.8517 9.8416 9.8416 11.1994 11.1994 11.4557 11.4557 12.0883 12.0883 13.3122 13.3122 k = 0.2857-0.0360 0.1395 ( 2719 PWs) bands (ev): -4.3535 -4.3535 -1.2375 -1.2375 -0.5747 -0.5747 1.4622 1.4622 4.1538 4.1538 4.6516 4.6516 5.0732 5.0732 5.4354 5.4354 5.9694 5.9694 6.9432 6.9432 7.4147 7.4147 7.6806 7.6806 7.7921 7.7921 7.9280 7.9280 8.3671 8.3671 8.4512 8.4512 8.5744 8.5744 8.6690 8.6690 8.8560 8.8560 9.8367 9.8367 11.2533 11.2533 11.4843 11.4843 12.1831 12.1831 13.2863 13.2863 k = 0.2738-0.0345 0.1337 ( 2721 PWs) bands (ev): -4.3954 -4.3954 -1.2073 -1.2073 -0.5457 -0.5457 1.5369 1.5369 4.1294 4.1294 4.6520 4.6520 5.0592 5.0592 5.4351 5.4351 5.9696 5.9696 6.8928 6.8928 7.4083 7.4083 7.6347 7.6347 7.7917 7.7917 7.9269 7.9269 8.3706 8.3706 8.4293 8.4293 8.5552 8.5552 8.6526 8.6526 8.8675 8.8675 9.8320 9.8320 11.3050 11.3050 11.5030 11.5030 12.2791 12.2791 13.2573 13.2573 k = 0.2619-0.0330 0.1279 ( 2721 PWs) bands (ev): -4.4364 -4.4364 -1.1776 -1.1776 -0.5171 -0.5171 1.6131 1.6131 4.1051 4.1051 4.6538 4.6538 5.0470 5.0470 5.4402 5.4402 5.9670 5.9670 6.8386 6.8386 7.3978 7.3978 7.5953 7.5953 7.7902 7.7902 7.9216 7.9216 8.3630 8.3630 8.4133 8.4133 8.5344 8.5344 8.6390 8.6390 8.8844 8.8844 9.8276 9.8276 11.3512 11.3512 11.5122 11.5122 12.3762 12.3762 13.2282 13.2282 k = 0.2500-0.0315 0.1221 ( 2720 PWs) bands (ev): -4.4763 -4.4763 -1.1483 -1.1483 -0.4894 -0.4894 1.6903 1.6903 4.0817 4.0817 4.6557 4.6557 5.0386 5.0386 5.4494 5.4494 5.9619 5.9619 6.7811 6.7811 7.3828 7.3828 7.5625 7.5625 7.7869 7.7869 7.9130 7.9130 8.3419 8.3419 8.4064 8.4064 8.5127 8.5127 8.6281 8.6281 8.9050 8.9050 9.8235 9.8235 11.3839 11.3839 11.5183 11.5183 12.4740 12.4740 13.2036 13.2036 k = 0.2381-0.0300 0.1163 ( 2722 PWs) bands (ev): -4.5151 -4.5151 -1.1193 -1.1193 -0.4629 -0.4629 1.7680 1.7680 4.0600 4.0600 4.6570 4.6570 5.0353 5.0353 5.4619 5.4619 5.9543 5.9543 6.7209 6.7209 7.3634 7.3634 7.5350 7.5350 7.7813 7.7813 7.9026 7.9026 8.3141 8.3141 8.4006 8.4006 8.4921 8.4921 8.6198 8.6198 8.9280 8.9280 9.8198 9.8198 11.3879 11.3879 11.5361 11.5361 12.5718 12.5718 13.1873 13.1873 k = 0.2262-0.0285 0.1105 ( 2721 PWs) bands (ev): -4.5526 -4.5526 -1.0906 -1.0906 -0.4378 -0.4378 1.8456 1.8456 4.0403 4.0403 4.6576 4.6576 5.0381 5.0381 5.4767 5.4767 5.9447 5.9447 6.6589 6.6589 7.3404 7.3404 7.5105 7.5105 7.7731 7.7731 7.8923 7.8923 8.2835 8.2835 8.3890 8.3890 8.4762 8.4762 8.6139 8.6139 8.9524 8.9524 9.8164 9.8164 11.3594 11.3594 11.5707 11.5707 12.6678 12.6678 13.1824 13.1824 k = 0.2143-0.0270 0.1046 ( 2719 PWs) bands (ev): -4.5887 -4.5887 -1.0620 -1.0620 -0.4145 -0.4145 1.9224 1.9224 4.0232 4.0232 4.6578 4.6578 5.0471 5.0471 5.4931 5.4931 5.9333 5.9333 6.5963 6.5963 7.3144 7.3144 7.4867 7.4867 7.7628 7.7628 7.8832 7.8832 8.2509 8.2509 8.3687 8.3687 8.4671 8.4671 8.6100 8.6100 8.9775 8.9775 9.8133 9.8133 11.3094 11.3094 11.6138 11.6138 12.7593 12.7593 13.1911 13.1911 k = 0.2024-0.0255 0.0988 ( 2719 PWs) bands (ev): -4.6232 -4.6232 -1.0337 -1.0337 -0.3931 -0.3931 1.9979 1.9979 4.0087 4.0087 4.6584 4.6584 5.0622 5.0622 5.5103 5.5103 5.9205 5.9205 6.5342 6.5342 7.2859 7.2859 7.4617 7.4617 7.7516 7.7516 7.8755 7.8755 8.2163 8.2163 8.3413 8.3413 8.4633 8.4633 8.6075 8.6075 9.0029 9.0029 9.8105 9.8105 11.2470 11.2470 11.6596 11.6596 12.8408 12.8408 13.2170 13.2170 k = 0.1905-0.0240 0.0930 ( 2717 PWs) bands (ev): -4.6562 -4.6562 -1.0054 -1.0054 -0.3739 -0.3739 2.0713 2.0713 3.9967 3.9967 4.6604 4.6604 5.0826 5.0826 5.5276 5.5276 5.9068 5.9068 6.4737 6.4737 7.2549 7.2549 7.4343 7.4343 7.7407 7.7407 7.8688 7.8688 8.1798 8.1798 8.3096 8.3096 8.4623 8.4623 8.6060 8.6060 9.0282 9.0282 9.8079 9.8079 11.1778 11.1778 11.7062 11.7062 12.9062 12.9062 13.2644 13.2644 k = 0.1786-0.0225 0.0872 ( 2717 PWs) bands (ev): -4.6875 -4.6875 -0.9773 -0.9773 -0.3570 -0.3570 2.1422 2.1422 3.9870 3.9870 4.6651 4.6651 5.1080 5.1080 5.5441 5.5441 5.8927 5.8927 6.4161 6.4161 7.2213 7.2213 7.4040 7.4040 7.7312 7.7312 7.8620 7.8620 8.1421 8.1421 8.2751 8.2751 8.4624 8.4624 8.6053 8.6053 9.0533 9.0533 9.8055 9.8055 11.1061 11.1061 11.7526 11.7526 12.9521 12.9521 13.3347 13.3347 k = 0.1667-0.0210 0.0814 ( 2716 PWs) bands (ev): -4.7171 -4.7171 -0.9494 -0.9494 -0.3426 -0.3426 2.2099 2.2099 3.9794 3.9794 4.6734 4.6734 5.1375 5.1375 5.5587 5.5587 5.8790 5.8790 6.3623 6.3623 7.1849 7.1849 7.3707 7.3707 7.7233 7.7233 7.8540 7.8540 8.1042 8.1042 8.2388 8.2388 8.4629 8.4629 8.6049 8.6049 9.0779 9.0779 9.8033 9.8033 11.0349 11.0349 11.7985 11.7985 12.9813 12.9813 13.4234 13.4234 k = 0.1548-0.0195 0.0756 ( 2713 PWs) bands (ev): -4.7448 -4.7448 -0.9216 -0.9216 -0.3306 -0.3306 2.2740 2.2740 3.9733 3.9733 4.6860 4.6860 5.1708 5.1708 5.5704 5.5704 5.8666 5.8666 6.3137 6.3137 7.1457 7.1457 7.3345 7.3345 7.7170 7.7170 7.8431 7.8431 8.0676 8.0676 8.2013 8.2013 8.4636 8.4636 8.6046 8.6046 9.1021 9.1021 9.8012 9.8012 10.9665 10.9665 11.8436 11.8436 12.9993 12.9993 13.5233 13.5233 k = 0.1429-0.0180 0.0698 ( 2707 PWs) bands (ev): -4.7707 -4.7707 -0.8942 -0.8942 -0.3212 -0.3212 2.3341 2.3341 3.9682 3.9682 4.7034 4.7034 5.2076 5.2076 5.5780 5.5780 5.8563 5.8563 6.2713 6.2713 7.1039 7.1039 7.2949 7.2949 7.7121 7.7121 7.8277 7.8277 8.0341 8.0341 8.1637 8.1637 8.4643 8.4643 8.6044 8.6044 9.1257 9.1257 9.7994 9.7994 10.9026 10.9026 11.8878 11.8878 13.0106 13.0106 13.6281 13.6281 k = 0.1310-0.0165 0.0639 ( 2708 PWs) bands (ev): -4.7947 -4.7947 -0.8672 -0.8672 -0.3143 -0.3143 2.3899 2.3899 3.9638 3.9638 4.7253 4.7253 5.2475 5.2475 5.5806 5.5806 5.8486 5.8486 6.2362 6.2362 7.0601 7.0601 7.2516 7.2516 7.7078 7.7078 7.8060 7.8060 8.0059 8.0059 8.1270 8.1270 8.4649 8.4649 8.6040 8.6040 9.1484 9.1484 9.7977 9.7977 10.8443 10.8443 11.9309 11.9309 13.0179 13.0179 13.7327 13.7327 k = 0.1190-0.0150 0.0581 ( 2703 PWs) bands (ev): -4.8167 -4.8167 -0.8408 -0.8408 -0.3097 -0.3097 2.4412 2.4412 3.9596 3.9596 4.7513 4.7513 5.2904 5.2904 5.5785 5.5785 5.8432 5.8432 6.2099 6.2099 7.0146 7.0146 7.2037 7.2037 7.7036 7.7036 7.7780 7.7780 7.9839 7.9839 8.0925 8.0925 8.4654 8.4654 8.6034 8.6034 9.1702 9.1702 9.7962 9.7962 10.7922 10.7922 11.9728 11.9728 13.0227 13.0227 13.8328 13.8328 k = 0.1071-0.0135 0.0523 ( 2704 PWs) bands (ev): -4.8368 -4.8368 -0.8151 -0.8151 -0.3074 -0.3074 2.4879 2.4879 3.9555 3.9555 4.7803 4.7803 5.3359 5.3359 5.5728 5.5728 5.8388 5.8388 6.1932 6.1932 6.9681 6.9681 7.1505 7.1505 7.6967 7.6967 7.7472 7.7472 7.9679 7.9679 8.0611 8.0611 8.4658 8.4658 8.6027 8.6027 9.1907 9.1907 9.7950 9.7950 10.7464 10.7464 12.0130 12.0130 13.0260 13.0260 13.9248 13.9248 k = 0.0952-0.0120 0.0465 ( 2700 PWs) bands (ev): -4.8548 -4.8548 -0.7903 -0.7903 -0.3072 -0.3072 2.5297 2.5297 3.9512 3.9512 4.8108 4.8108 5.3833 5.3833 5.5660 5.5660 5.8339 5.8339 6.1870 6.1870 6.9213 6.9213 7.0914 7.0914 7.6801 7.6801 7.7235 7.7235 7.9561 7.9561 8.0339 8.0339 8.4662 8.4662 8.6021 8.6021 9.2098 9.2098 9.7940 9.7940 10.7069 10.7069 12.0513 12.0513 13.0282 13.0282 14.0061 14.0061 k = 0.0833-0.0105 0.0407 ( 2697 PWs) bands (ev): -4.8707 -4.8707 -0.7669 -0.7669 -0.3087 -0.3087 2.5669 2.5669 3.9469 3.9469 4.8411 4.8411 5.4302 5.4302 5.5618 5.5618 5.8273 5.8273 6.1914 6.1914 6.8749 6.8749 7.0260 7.0260 7.6497 7.6497 7.7135 7.7135 7.9468 7.9468 8.0116 8.0116 8.4664 8.4664 8.6013 8.6013 9.2274 9.2274 9.7932 9.7932 10.6734 10.6734 12.0872 12.0872 13.0298 13.0298 14.0670 14.0672 k = 0.0714-0.0090 0.0349 ( 2702 PWs) bands (ev): -4.8846 -4.8846 -0.7450 -0.7450 -0.3116 -0.3116 2.5992 2.5992 3.9425 3.9425 4.8696 4.8696 5.4700 5.4700 5.5679 5.5679 5.8186 5.8186 6.2058 6.2058 6.8293 6.8293 6.9551 6.9551 7.6158 7.6158 7.7095 7.7095 7.9384 7.9384 7.9943 7.9943 8.4667 8.4667 8.6005 8.6005 9.2430 9.2430 9.7926 9.7926 10.6455 10.6455 12.1203 12.1203 13.0310 13.0310 14.0617 14.0617 k = 0.0595-0.0075 0.0291 ( 2705 PWs) bands (ev): -4.8964 -4.8964 -0.7251 -0.7251 -0.3155 -0.3155 2.6266 2.6266 3.9384 3.9384 4.8948 4.8948 5.4920 5.4920 5.5948 5.5948 5.8084 5.8084 6.2292 6.2292 6.7848 6.7848 6.8805 6.8805 7.5843 7.5843 7.7072 7.7072 7.9303 7.9303 7.9821 7.9821 8.4668 8.4668 8.5997 8.5997 9.2566 9.2566 9.7922 9.7922 10.6228 10.6228 12.1498 12.1498 13.0318 13.0318 14.0444 14.0444 k = 0.0476-0.0060 0.0233 ( 2703 PWs) bands (ev): -4.9061 -4.9061 -0.7077 -0.7077 -0.3198 -0.3198 2.6492 2.6492 3.9347 3.9347 4.9156 4.9156 5.4989 5.4989 5.6379 5.6379 5.7978 5.7978 6.2605 6.2605 6.7397 6.7397 6.8070 6.8070 7.5575 7.5575 7.7057 7.7057 7.9225 7.9225 7.9741 7.9741 8.4670 8.4670 8.5991 8.5991 9.2679 9.2679 9.7919 9.7919 10.6049 10.6049 12.1752 12.1752 13.0324 13.0324 14.0245 14.0245 k = 0.0357-0.0045 0.0174 ( 2700 PWs) bands (ev): -4.9136 -4.9136 -0.6934 -0.6934 -0.3240 -0.3240 2.6668 2.6668 3.9316 3.9316 4.9317 4.9317 5.5009 5.5009 5.6832 5.6832 5.7883 5.7883 6.2989 6.2989 6.6857 6.6857 6.7469 6.7469 7.5362 7.5362 7.7047 7.7047 7.9158 7.9158 7.9692 7.9692 8.4671 8.4671 8.5986 8.5986 9.2770 9.2770 9.7917 9.7917 10.5914 10.5914 12.1959 12.1959 13.0328 13.0328 14.0057 14.0057 k = 0.0238-0.0030 0.0116 ( 2696 PWs) bands (ev): -4.9190 -4.9190 -0.6826 -0.6826 -0.3276 -0.3276 2.6795 2.6795 3.9292 3.9292 4.9429 4.9429 5.5019 5.5019 5.7215 5.7215 5.7813 5.7813 6.3439 6.3439 6.6178 6.6178 6.7103 6.7103 7.5208 7.5208 7.7040 7.7040 7.9107 7.9107 7.9663 7.9663 8.4672 8.4672 8.5983 8.5983 9.2835 9.2835 9.7916 9.7916 10.5820 10.5820 12.2111 12.2111 13.0331 13.0331 13.9907 13.9907 k = 0.0119-0.0015 0.0058 ( 2695 PWs) bands (ev): -4.9222 -4.9222 -0.6759 -0.6759 -0.3300 -0.3300 2.6871 2.6871 3.9278 3.9278 4.9495 4.9495 5.5027 5.5027 5.7451 5.7451 5.7791 5.7791 6.3932 6.3932 6.5500 6.5500 6.6904 6.6904 7.5116 7.5116 7.7035 7.7035 7.9075 7.9075 7.9648 7.9648 8.4673 8.4673 8.5981 8.5981 9.2874 9.2874 9.7916 9.7916 10.5764 10.5764 12.2205 12.2205 13.0333 13.0333 13.9811 13.9811 k = 0.0000 0.0000 0.0000 ( 2693 PWs) bands (ev): -4.9233 -4.9233 -0.6736 -0.6736 -0.3308 -0.3308 2.6896 2.6896 3.9273 3.9273 4.9516 4.9516 5.5030 5.5030 5.7518 5.7518 5.7800 5.7800 6.4261 6.4261 6.5102 6.5102 6.6839 6.6839 7.5085 7.5085 7.7034 7.7034 7.9064 7.9064 7.9643 7.9643 8.4674 8.4674 8.5980 8.5980 9.2888 9.2888 9.7916 9.7916 10.5746 10.5746 12.2237 12.2237 13.0333 13.0333 13.9778 13.9778 Writing output data file NiP2.save init_run : 1.29s CPU 13.20s WALL ( 1 calls) electrons : 731.88s CPU 740.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 731.86s CPU 740.50s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.62s WALL ( 1 calls) newd : 0.28s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 352 calls) cegterg : 605.41s CPU 609.60s WALL ( 1020 calls) Called by sum_band: Called by *egterg: h_psi : 217.22s CPU 226.75s WALL ( 18480 calls) s_psi : 24.59s CPU 25.28s WALL ( 18480 calls) g_psi : 0.53s CPU 0.61s WALL ( 17108 calls) cdiaghg : 272.38s CPU 268.33s WALL ( 17460 calls) cegterg:over : 53.77s CPU 50.30s WALL ( 17108 calls) cegterg:upda : 6.78s CPU 10.84s WALL ( 17108 calls) cegterg:last : 6.42s CPU 7.33s WALL ( 2465 calls) Called by h_psi: h_psi:vloc : 162.11s CPU 170.40s WALL ( 18480 calls) h_psi:vnl : 54.91s CPU 55.75s WALL ( 18480 calls) add_vuspsi : 16.22s CPU 20.25s WALL ( 18480 calls) General routines calbec : 38.64s CPU 35.38s WALL ( 18480 calls) fft : 0.17s CPU 1.24s WALL ( 19 calls) ffts : 0.02s CPU 0.11s WALL ( 4 calls) fftw : 154.47s CPU 160.96s WALL ( 1487836 calls) interpolate : 0.03s CPU 0.19s WALL ( 4 calls) davcio : 0.03s CPU 8.50s WALL ( 704 calls) Parallel routines fft_scatter : 107.89s CPU 112.71s WALL ( 1487859 calls) PWSCF : 13m15.79s CPU 16m27.43s WALL This run was terminated on: 17:17:12 18Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=