Program PWSCF v.5.1.1 starts on 16Jul2015 at 14:49:22 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./GaAs.save/ file Ga.rel-pbe-dnl-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 28 20 6 410 255 45 Max 29 21 7 413 268 47 Sum 915 671 215 13161 8299 1461 bravais-lattice index = 14 lattice parameter (alat) = 6.9493 a.u. unit-cell volume = 209.5307 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.949320 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.743289 celldm(5)= -0.151691 celldm(6)= -0.105020 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.105020 0.994470 0.000000 ) a(3) = ( -0.151691 -0.763441 0.627811 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.105604 0.370037 ) b(2) = ( 0.000000 1.005561 1.222798 ) b(3) = ( 0.000000 0.000000 1.592835 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ga 13.00 69.72300 Ga( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 551 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018149 k( 2) = ( -0.0041780 0.0037600 0.0102178), wk = 0.0018149 k( 3) = ( -0.0083561 0.0075201 0.0204356), wk = 0.0018149 k( 4) = ( -0.0125341 0.0112801 0.0306534), wk = 0.0018149 k( 5) = ( -0.0167121 0.0150402 0.0408711), wk = 0.0018149 k( 6) = ( -0.0208902 0.0188002 0.0510889), wk = 0.0018149 k( 7) = ( -0.0250682 0.0225603 0.0613067), wk = 0.0018149 k( 8) = ( -0.0292462 0.0263203 0.0715245), wk = 0.0018149 k( 9) = ( -0.0334243 0.0300804 0.0817423), wk = 0.0018149 k( 10) = ( -0.0376023 0.0338404 0.0919601), wk = 0.0018149 k( 11) = ( -0.0417803 0.0376005 0.1021778), wk = 0.0018149 k( 12) = ( -0.0459584 0.0413605 0.1123956), wk = 0.0018149 k( 13) = ( -0.0501364 0.0451206 0.1226134), wk = 0.0018149 k( 14) = ( -0.0543144 0.0488806 0.1328312), wk = 0.0018149 k( 15) = ( -0.0584925 0.0526407 0.1430490), wk = 0.0018149 k( 16) = ( -0.0626705 0.0564007 0.1532668), wk = 0.0018149 k( 17) = ( -0.0668485 0.0601608 0.1634845), wk = 0.0018149 k( 18) = ( -0.0710266 0.0639208 0.1737023), wk = 0.0018149 k( 19) = ( -0.0752046 0.0676809 0.1839201), wk = 0.0018149 k( 20) = ( -0.0793826 0.0714409 0.1941379), wk = 0.0018149 k( 21) = ( -0.0835607 0.0752010 0.2043557), wk = 0.0018149 k( 22) = ( -0.0877387 0.0789610 0.2145735), wk = 0.0018149 k( 23) = ( -0.0919167 0.0827211 0.2247912), wk = 0.0018149 k( 24) = ( -0.0960948 0.0864811 0.2350090), wk = 0.0018149 k( 25) = ( -0.1002728 0.0902412 0.2452268), wk = 0.0018149 k( 26) = ( -0.1044508 0.0940012 0.2554446), wk = 0.0018149 k( 27) = ( -0.1086289 0.0977613 0.2656624), wk = 0.0018149 k( 28) = ( -0.1128069 0.1015213 0.2758802), wk = 0.0018149 k( 29) = ( -0.1169849 0.1052814 0.2860979), wk = 0.0018149 k( 30) = ( -0.1211630 0.1090414 0.2963157), wk = 0.0018149 k( 31) = ( -0.1253410 0.1128015 0.3065335), wk = 0.0018149 k( 32) = ( -0.1295190 0.1165615 0.3167513), wk = 0.0018149 k( 33) = ( -0.1336971 0.1203216 0.3269691), wk = 0.0018149 k( 34) = ( -0.1378751 0.1240816 0.3371869), wk = 0.0018149 k( 35) = ( -0.1420531 0.1278417 0.3474046), wk = 0.0018149 k( 36) = ( -0.1462312 0.1316017 0.3576224), wk = 0.0018149 k( 37) = ( -0.1504092 0.1353618 0.3678402), wk = 0.0018149 k( 38) = ( -0.1545872 0.1391218 0.3780580), wk = 0.0018149 k( 39) = ( -0.1587653 0.1428819 0.3882758), wk = 0.0018149 k( 40) = ( -0.1629433 0.1466419 0.3984936), wk = 0.0018149 k( 41) = ( -0.1671213 0.1504019 0.4087114), wk = 0.0018149 k( 42) = ( -0.1712994 0.1541620 0.4189292), wk = 0.0018149 k( 43) = ( -0.1754774 0.1579220 0.4291469), wk = 0.0018149 k( 44) = ( -0.1796554 0.1616821 0.4393647), wk = 0.0018149 k( 45) = ( -0.1838335 0.1654421 0.4495825), wk = 0.0018149 k( 46) = ( -0.1880115 0.1692022 0.4598003), wk = 0.0018149 k( 47) = ( -0.1921895 0.1729622 0.4700181), wk = 0.0018149 k( 48) = ( -0.1963676 0.1767223 0.4802359), wk = 0.0018149 k( 49) = ( -0.2005456 0.1804823 0.4904536), wk = 0.0018149 k( 50) = ( -0.2047236 0.1842424 0.5006714), wk = 0.0018149 k( 51) = ( -0.2089017 0.1880024 0.5108892), wk = 0.0018149 k( 52) = ( -0.2130797 0.1917625 0.5211070), wk = 0.0018149 k( 53) = ( -0.2172577 0.1955225 0.5313248), wk = 0.0018149 k( 54) = ( -0.2214358 0.1992826 0.5415426), wk = 0.0018149 k( 55) = ( -0.2256138 0.2030426 0.5517603), wk = 0.0018149 k( 56) = ( -0.2297918 0.2068027 0.5619781), wk = 0.0018149 k( 57) = ( -0.2339699 0.2105627 0.5721959), wk = 0.0018149 k( 58) = ( -0.2381479 0.2143228 0.5824137), wk = 0.0018149 k( 59) = ( -0.2423259 0.2180828 0.5926315), wk = 0.0018149 k( 60) = ( -0.2465040 0.2218429 0.6028493), wk = 0.0018149 k( 61) = ( -0.2506820 0.2256029 0.6130670), wk = 0.0018149 k( 62) = ( -0.2548600 0.2293630 0.6232848), wk = 0.0018149 k( 63) = ( -0.2590381 0.2331230 0.6335026), wk = 0.0018149 k( 64) = ( -0.2632161 0.2368831 0.6437204), wk = 0.0018149 k( 65) = ( -0.2673941 0.2406431 0.6539382), wk = 0.0018149 k( 66) = ( -0.2715722 0.2444032 0.6641560), wk = 0.0018149 k( 67) = ( -0.2757502 0.2481632 0.6743737), wk = 0.0018149 k( 68) = ( -0.2799282 0.2519233 0.6845915), wk = 0.0018149 k( 69) = ( -0.2841063 0.2556833 0.6948093), wk = 0.0018149 k( 70) = ( -0.2882843 0.2594434 0.7050271), wk = 0.0018149 k( 71) = ( -0.2924623 0.2632034 0.7152449), wk = 0.0018149 k( 72) = ( -0.2966404 0.2669635 0.7254627), wk = 0.0018149 k( 73) = ( -0.3008184 0.2707235 0.7356804), wk = 0.0018149 k( 74) = ( -0.3049964 0.2744836 0.7458982), wk = 0.0018149 k( 75) = ( -0.3091745 0.2782436 0.7561160), wk = 0.0018149 k( 76) = ( -0.3133525 0.2820037 0.7663338), wk = 0.0018149 k( 77) = ( -0.3175305 0.2857637 0.7765516), wk = 0.0018149 k( 78) = ( -0.3217086 0.2895238 0.7867694), wk = 0.0018149 k( 79) = ( -0.3217086 0.2895238 0.7867694), wk = 0.0018149 k( 80) = ( -0.3151902 0.2836575 0.7915935), wk = 0.0018149 k( 81) = ( -0.3086717 0.2777912 0.7964176), wk = 0.0018149 k( 82) = ( -0.3086717 0.2777912 0.7964176), wk = 0.0018149 k( 83) = ( -0.3000975 0.2700747 0.7964176), wk = 0.0018149 k( 84) = ( -0.2915233 0.2623583 0.7964176), wk = 0.0018149 k( 85) = ( -0.2829491 0.2546419 0.7964176), wk = 0.0018149 k( 86) = ( -0.2743749 0.2469255 0.7964176), wk = 0.0018149 k( 87) = ( -0.2658007 0.2392091 0.7964176), wk = 0.0018149 k( 88) = ( -0.2572264 0.2314926 0.7964176), wk = 0.0018149 k( 89) = ( -0.2486522 0.2237762 0.7964176), wk = 0.0018149 k( 90) = ( -0.2400780 0.2160598 0.7964176), wk = 0.0018149 k( 91) = ( -0.2315038 0.2083434 0.7964176), wk = 0.0018149 k( 92) = ( -0.2229296 0.2006270 0.7964176), wk = 0.0018149 k( 93) = ( -0.2143554 0.1929105 0.7964176), wk = 0.0018149 k( 94) = ( -0.2057811 0.1851941 0.7964176), wk = 0.0018149 k( 95) = ( -0.1972069 0.1774777 0.7964176), wk = 0.0018149 k( 96) = ( -0.1886327 0.1697613 0.7964176), wk = 0.0018149 k( 97) = ( -0.1800585 0.1620448 0.7964176), wk = 0.0018149 k( 98) = ( -0.1714843 0.1543284 0.7964176), wk = 0.0018149 k( 99) = ( -0.1629101 0.1466120 0.7964176), wk = 0.0018149 k( 100) = ( -0.1543359 0.1388956 0.7964176), wk = 0.0018149 k( 101) = ( -0.1457616 0.1311792 0.7964176), wk = 0.0018149 k( 102) = ( -0.1371874 0.1234627 0.7964176), wk = 0.0018149 k( 103) = ( -0.1286132 0.1157463 0.7964176), wk = 0.0018149 k( 104) = ( -0.1200390 0.1080299 0.7964176), wk = 0.0018149 k( 105) = ( -0.1114648 0.1003135 0.7964176), wk = 0.0018149 k( 106) = ( -0.1028906 0.0925971 0.7964176), wk = 0.0018149 k( 107) = ( -0.0943164 0.0848806 0.7964176), wk = 0.0018149 k( 108) = ( -0.0857422 0.0771642 0.7964176), wk = 0.0018149 k( 109) = ( -0.0771679 0.0694478 0.7964176), wk = 0.0018149 k( 110) = ( -0.0685937 0.0617314 0.7964176), wk = 0.0018149 k( 111) = ( -0.0600195 0.0540149 0.7964176), wk = 0.0018149 k( 112) = ( -0.0514453 0.0462985 0.7964176), wk = 0.0018149 k( 113) = ( -0.0428711 0.0385821 0.7964176), wk = 0.0018149 k( 114) = ( -0.0342969 0.0308657 0.7964176), wk = 0.0018149 k( 115) = ( -0.0257226 0.0231493 0.7964176), wk = 0.0018149 k( 116) = ( -0.0171484 0.0154328 0.7964176), wk = 0.0018149 k( 117) = ( -0.0085742 0.0077164 0.7964176), wk = 0.0018149 k( 118) = ( 0.0000000 0.0000000 0.7964176), wk = 0.0018149 k( 119) = ( 0.0000000 0.0000000 0.7964176), wk = 0.0018149 k( 120) = ( 0.0078125 0.0086810 0.7964176), wk = 0.0018149 k( 121) = ( 0.0156250 0.0173619 0.7964176), wk = 0.0018149 k( 122) = ( 0.0234375 0.0260429 0.7964176), wk = 0.0018149 k( 123) = ( 0.0312500 0.0347239 0.7964176), wk = 0.0018149 k( 124) = ( 0.0390625 0.0434049 0.7964176), wk = 0.0018149 k( 125) = ( 0.0468750 0.0520858 0.7964176), wk = 0.0018149 k( 126) = ( 0.0546875 0.0607668 0.7964176), wk = 0.0018149 k( 127) = ( 0.0625000 0.0694478 0.7964176), wk = 0.0018149 k( 128) = ( 0.0703125 0.0781288 0.7964176), wk = 0.0018149 k( 129) = ( 0.0781250 0.0868097 0.7964176), wk = 0.0018149 k( 130) = ( 0.0859375 0.0954907 0.7964176), wk = 0.0018149 k( 131) = ( 0.0937500 0.1041717 0.7964176), wk = 0.0018149 k( 132) = ( 0.1015625 0.1128527 0.7964176), wk = 0.0018149 k( 133) = ( 0.1093750 0.1215336 0.7964176), wk = 0.0018149 k( 134) = ( 0.1171875 0.1302146 0.7964176), wk = 0.0018149 k( 135) = ( 0.1250000 0.1388956 0.7964176), wk = 0.0018149 k( 136) = ( 0.1328125 0.1475766 0.7964176), wk = 0.0018149 k( 137) = ( 0.1406250 0.1562575 0.7964176), wk = 0.0018149 k( 138) = ( 0.1484375 0.1649385 0.7964176), wk = 0.0018149 k( 139) = ( 0.1562500 0.1736195 0.7964176), wk = 0.0018149 k( 140) = ( 0.1640625 0.1823005 0.7964176), wk = 0.0018149 k( 141) = ( 0.1718750 0.1909814 0.7964176), wk = 0.0018149 k( 142) = ( 0.1796875 0.1996624 0.7964176), wk = 0.0018149 k( 143) = ( 0.1875000 0.2083434 0.7964176), wk = 0.0018149 k( 144) = ( 0.1953125 0.2170243 0.7964176), wk = 0.0018149 k( 145) = ( 0.2031250 0.2257053 0.7964176), wk = 0.0018149 k( 146) = ( 0.2109375 0.2343863 0.7964176), wk = 0.0018149 k( 147) = ( 0.2187500 0.2430673 0.7964176), wk = 0.0018149 k( 148) = ( 0.2265625 0.2517482 0.7964176), wk = 0.0018149 k( 149) = ( 0.2343750 0.2604292 0.7964176), wk = 0.0018149 k( 150) = ( 0.2421875 0.2691102 0.7964176), wk = 0.0018149 k( 151) = ( 0.2500000 0.2777912 0.7964176), wk = 0.0018149 k( 152) = ( 0.2500000 0.2777912 0.7964176), wk = 0.0018149 k( 153) = ( 0.2424242 0.2846090 0.7908110), wk = 0.0018149 k( 154) = ( 0.2348485 0.2914269 0.7852043), wk = 0.0018149 k( 155) = ( 0.2272727 0.2982447 0.7795977), wk = 0.0018149 k( 156) = ( 0.2196970 0.3050626 0.7739911), wk = 0.0018149 k( 157) = ( 0.2121212 0.3118804 0.7683845), wk = 0.0018149 k( 158) = ( 0.2045454 0.3186983 0.7627779), wk = 0.0018149 k( 159) = ( 0.1969697 0.3255161 0.7571713), wk = 0.0018149 k( 160) = ( 0.1893939 0.3323340 0.7515646), wk = 0.0018149 k( 161) = ( 0.1818182 0.3391518 0.7459580), wk = 0.0018149 k( 162) = ( 0.1742424 0.3459697 0.7403514), wk = 0.0018149 k( 163) = ( 0.1666667 0.3527875 0.7347448), wk = 0.0018149 k( 164) = ( 0.1590909 0.3596054 0.7291382), wk = 0.0018149 k( 165) = ( 0.1515151 0.3664233 0.7235315), wk = 0.0018149 k( 166) = ( 0.1439394 0.3732411 0.7179249), wk = 0.0018149 k( 167) = ( 0.1363636 0.3800590 0.7123183), wk = 0.0018149 k( 168) = ( 0.1287879 0.3868768 0.7067117), wk = 0.0018149 k( 169) = ( 0.1212121 0.3936947 0.7011051), wk = 0.0018149 k( 170) = ( 0.1136364 0.4005125 0.6954984), wk = 0.0018149 k( 171) = ( 0.1060606 0.4073304 0.6898918), wk = 0.0018149 k( 172) = ( 0.0984848 0.4141482 0.6842852), wk = 0.0018149 k( 173) = ( 0.0909091 0.4209661 0.6786786), wk = 0.0018149 k( 174) = ( 0.0833333 0.4277839 0.6730720), wk = 0.0018149 k( 175) = ( 0.0757576 0.4346018 0.6674653), wk = 0.0018149 k( 176) = ( 0.0681818 0.4414196 0.6618587), wk = 0.0018149 k( 177) = ( 0.0606061 0.4482375 0.6562521), wk = 0.0018149 k( 178) = ( 0.0530303 0.4550554 0.6506455), wk = 0.0018149 k( 179) = ( 0.0454546 0.4618732 0.6450389), wk = 0.0018149 k( 180) = ( 0.0378788 0.4686911 0.6394322), wk = 0.0018149 k( 181) = ( 0.0303030 0.4755089 0.6338256), wk = 0.0018149 k( 182) = ( 0.0227273 0.4823268 0.6282190), wk = 0.0018149 k( 183) = ( 0.0151515 0.4891446 0.6226124), wk = 0.0018149 k( 184) = ( 0.0075758 0.4959625 0.6170058), wk = 0.0018149 k( 185) = ( 0.0000000 0.5027803 0.6113991), wk = 0.0018149 k( 186) = ( 0.0000000 0.5027803 0.6113991), wk = 0.0018149 k( 187) = ( 0.0086948 0.5085440 0.6066594), wk = 0.0018149 k( 188) = ( 0.0173896 0.5143077 0.6019197), wk = 0.0018149 k( 189) = ( 0.0260845 0.5200714 0.5971799), wk = 0.0018149 k( 190) = ( 0.0347793 0.5258351 0.5924402), wk = 0.0018149 k( 191) = ( 0.0434741 0.5315988 0.5877005), wk = 0.0018149 k( 192) = ( 0.0521690 0.5373625 0.5829607), wk = 0.0018149 k( 193) = ( 0.0608638 0.5431262 0.5782210), wk = 0.0018149 k( 194) = ( 0.0695586 0.5488899 0.5734813), wk = 0.0018149 k( 195) = ( 0.0782534 0.5546535 0.5687415), wk = 0.0018149 k( 196) = ( 0.0869483 0.5604172 0.5640018), wk = 0.0018149 k( 197) = ( 0.0956431 0.5661809 0.5592620), wk = 0.0018149 k( 198) = ( 0.1043379 0.5719446 0.5545223), wk = 0.0018149 k( 199) = ( 0.1130327 0.5777083 0.5497826), wk = 0.0018149 k( 200) = ( 0.1217276 0.5834720 0.5450428), wk = 0.0018149 k( 201) = ( 0.1304224 0.5892357 0.5403031), wk = 0.0018149 k( 202) = ( 0.1391172 0.5949994 0.5355634), wk = 0.0018149 k( 203) = ( 0.1478120 0.6007631 0.5308236), wk = 0.0018149 k( 204) = ( 0.1565069 0.6065268 0.5260839), wk = 0.0018149 k( 205) = ( 0.1652017 0.6122904 0.5213442), wk = 0.0018149 k( 206) = ( 0.1738965 0.6180541 0.5166044), wk = 0.0018149 k( 207) = ( 0.1825914 0.6238178 0.5118647), wk = 0.0018149 k( 208) = ( 0.1912862 0.6295815 0.5071250), wk = 0.0018149 k( 209) = ( 0.1999810 0.6353452 0.5023852), wk = 0.0018149 k( 210) = ( 0.2086758 0.6411089 0.4976455), wk = 0.0018149 k( 211) = ( 0.2173706 0.6468726 0.4929057), wk = 0.0018149 k( 212) = ( 0.2260655 0.6526363 0.4881660), wk = 0.0018149 k( 213) = ( 0.2347603 0.6584000 0.4834263), wk = 0.0018149 k( 214) = ( 0.2434551 0.6641637 0.4786865), wk = 0.0018149 k( 215) = ( 0.2521500 0.6699274 0.4739468), wk = 0.0018149 k( 216) = ( 0.2608448 0.6756910 0.4692071), wk = 0.0018149 k( 217) = ( 0.2695396 0.6814547 0.4644673), wk = 0.0018149 k( 218) = ( 0.2782344 0.6872184 0.4597276), wk = 0.0018149 k( 219) = ( 0.2869293 0.6929821 0.4549879), wk = 0.0018149 k( 220) = ( 0.2956241 0.6987458 0.4502481), wk = 0.0018149 k( 221) = ( 0.3043189 0.7045095 0.4455084), wk = 0.0018149 k( 222) = ( 0.3130137 0.7102732 0.4407687), wk = 0.0018149 k( 223) = ( 0.3217086 0.7160369 0.4360289), wk = 0.0018149 k( 224) = ( 0.3217086 0.7160369 0.4360289), wk = 0.0018149 k( 225) = ( 0.3258549 0.7123054 0.4258887), wk = 0.0018149 k( 226) = ( 0.3300012 0.7085739 0.4157485), wk = 0.0018149 k( 227) = ( 0.3341475 0.7048424 0.4056083), wk = 0.0018149 k( 228) = ( 0.3382938 0.7011109 0.3954681), wk = 0.0018149 k( 229) = ( 0.3424401 0.6973794 0.3853279), wk = 0.0018149 k( 230) = ( 0.3465864 0.6936479 0.3751877), wk = 0.0018149 k( 231) = ( 0.3507327 0.6899164 0.3650475), wk = 0.0018149 k( 232) = ( 0.3548791 0.6861849 0.3549072), wk = 0.0018149 k( 233) = ( 0.3590254 0.6824534 0.3447670), wk = 0.0018149 k( 234) = ( 0.3631717 0.6787219 0.3346268), wk = 0.0018149 k( 235) = ( 0.3673180 0.6749904 0.3244866), wk = 0.0018149 k( 236) = ( 0.3714643 0.6712589 0.3143464), wk = 0.0018149 k( 237) = ( 0.3756106 0.6675274 0.3042062), wk = 0.0018149 k( 238) = ( 0.3797569 0.6637959 0.2940660), wk = 0.0018149 k( 239) = ( 0.3839032 0.6600644 0.2839258), wk = 0.0018149 k( 240) = ( 0.3880496 0.6563329 0.2737856), wk = 0.0018149 k( 241) = ( 0.3921959 0.6526014 0.2636454), wk = 0.0018149 k( 242) = ( 0.3963422 0.6488699 0.2535052), wk = 0.0018149 k( 243) = ( 0.4004885 0.6451384 0.2433650), wk = 0.0018149 k( 244) = ( 0.4046348 0.6414069 0.2332248), wk = 0.0018149 k( 245) = ( 0.4087811 0.6376754 0.2230846), wk = 0.0018149 k( 246) = ( 0.4129274 0.6339439 0.2129444), wk = 0.0018149 k( 247) = ( 0.4170738 0.6302124 0.2028042), wk = 0.0018149 k( 248) = ( 0.4212201 0.6264809 0.1926640), wk = 0.0018149 k( 249) = ( 0.4253664 0.6227494 0.1825237), wk = 0.0018149 k( 250) = ( 0.4295127 0.6190179 0.1723835), wk = 0.0018149 k( 251) = ( 0.4336590 0.6152864 0.1622433), wk = 0.0018149 k( 252) = ( 0.4378053 0.6115549 0.1521031), wk = 0.0018149 k( 253) = ( 0.4419516 0.6078233 0.1419629), wk = 0.0018149 k( 254) = ( 0.4460979 0.6040918 0.1318227), wk = 0.0018149 k( 255) = ( 0.4502443 0.6003603 0.1216825), wk = 0.0018149 k( 256) = ( 0.4543906 0.5966288 0.1115423), wk = 0.0018149 k( 257) = ( 0.4585369 0.5928973 0.1014021), wk = 0.0018149 k( 258) = ( 0.4626832 0.5891658 0.0912619), wk = 0.0018149 k( 259) = ( 0.4668295 0.5854343 0.0811217), wk = 0.0018149 k( 260) = ( 0.4709758 0.5817028 0.0709815), wk = 0.0018149 k( 261) = ( 0.4751221 0.5779713 0.0608412), wk = 0.0018149 k( 262) = ( 0.4792684 0.5742398 0.0507010), wk = 0.0018149 k( 263) = ( 0.4834148 0.5705083 0.0405608), wk = 0.0018149 k( 264) = ( 0.4875611 0.5667768 0.0304206), wk = 0.0018149 k( 265) = ( 0.4917074 0.5630453 0.0202804), wk = 0.0018149 k( 266) = ( 0.4958537 0.5593138 0.0101402), wk = 0.0018149 k( 267) = ( 0.5000000 0.5555823 -0.0000000), wk = 0.0018149 k( 268) = ( 0.5000000 0.5555823 -0.0000000), wk = 0.0018149 k( 269) = ( 0.4921875 0.5469014 -0.0000000), wk = 0.0018149 k( 270) = ( 0.4843750 0.5382204 -0.0000000), wk = 0.0018149 k( 271) = ( 0.4765625 0.5295394 -0.0000000), wk = 0.0018149 k( 272) = ( 0.4687500 0.5208584 -0.0000000), wk = 0.0018149 k( 273) = ( 0.4609375 0.5121775 0.0000000), wk = 0.0018149 k( 274) = ( 0.4531250 0.5034965 -0.0000000), wk = 0.0018149 k( 275) = ( 0.4453125 0.4948155 -0.0000000), wk = 0.0018149 k( 276) = ( 0.4375000 0.4861345 0.0000000), wk = 0.0018149 k( 277) = ( 0.4296875 0.4774536 0.0000000), wk = 0.0018149 k( 278) = ( 0.4218750 0.4687726 -0.0000000), wk = 0.0018149 k( 279) = ( 0.4140625 0.4600916 -0.0000000), wk = 0.0018149 k( 280) = ( 0.4062500 0.4514106 -0.0000000), wk = 0.0018149 k( 281) = ( 0.3984375 0.4427297 0.0000000), wk = 0.0018149 k( 282) = ( 0.3906250 0.4340487 -0.0000000), wk = 0.0018149 k( 283) = ( 0.3828125 0.4253677 0.0000000), wk = 0.0018149 k( 284) = ( 0.3750000 0.4166867 0.0000000), wk = 0.0018149 k( 285) = ( 0.3671875 0.4080058 -0.0000000), wk = 0.0018149 k( 286) = ( 0.3593750 0.3993248 0.0000000), wk = 0.0018149 k( 287) = ( 0.3515625 0.3906438 -0.0000000), wk = 0.0018149 k( 288) = ( 0.3437500 0.3819629 0.0000000), wk = 0.0018149 k( 289) = ( 0.3359375 0.3732819 -0.0000000), wk = 0.0018149 k( 290) = ( 0.3281250 0.3646009 0.0000000), wk = 0.0018149 k( 291) = ( 0.3203125 0.3559199 -0.0000000), wk = 0.0018149 k( 292) = ( 0.3125000 0.3472390 -0.0000000), wk = 0.0018149 k( 293) = ( 0.3046875 0.3385580 -0.0000000), wk = 0.0018149 k( 294) = ( 0.2968750 0.3298770 -0.0000000), wk = 0.0018149 k( 295) = ( 0.2890625 0.3211960 0.0000000), wk = 0.0018149 k( 296) = ( 0.2812500 0.3125151 -0.0000000), wk = 0.0018149 k( 297) = ( 0.2734375 0.3038341 -0.0000000), wk = 0.0018149 k( 298) = ( 0.2656250 0.2951531 -0.0000000), wk = 0.0018149 k( 299) = ( 0.2578125 0.2864721 -0.0000000), wk = 0.0018149 k( 300) = ( 0.2500000 0.2777912 -0.0000000), wk = 0.0018149 k( 301) = ( 0.2421875 0.2691102 -0.0000000), wk = 0.0018149 k( 302) = ( 0.2343750 0.2604292 -0.0000000), wk = 0.0018149 k( 303) = ( 0.2265625 0.2517482 -0.0000000), wk = 0.0018149 k( 304) = ( 0.2187500 0.2430673 0.0000000), wk = 0.0018149 k( 305) = ( 0.2109375 0.2343863 -0.0000000), wk = 0.0018149 k( 306) = ( 0.2031250 0.2257053 -0.0000000), wk = 0.0018149 k( 307) = ( 0.1953125 0.2170243 -0.0000000), wk = 0.0018149 k( 308) = ( 0.1875000 0.2083434 0.0000000), wk = 0.0018149 k( 309) = ( 0.1796875 0.1996624 0.0000000), wk = 0.0018149 k( 310) = ( 0.1718750 0.1909814 0.0000000), wk = 0.0018149 k( 311) = ( 0.1640625 0.1823005 0.0000000), wk = 0.0018149 k( 312) = ( 0.1562500 0.1736195 -0.0000000), wk = 0.0018149 k( 313) = ( 0.1484375 0.1649385 -0.0000000), wk = 0.0018149 k( 314) = ( 0.1406250 0.1562575 -0.0000000), wk = 0.0018149 k( 315) = ( 0.1328125 0.1475766 -0.0000000), wk = 0.0018149 k( 316) = ( 0.1250000 0.1388956 -0.0000000), wk = 0.0018149 k( 317) = ( 0.1171875 0.1302146 -0.0000000), wk = 0.0018149 k( 318) = ( 0.1093750 0.1215336 0.0000000), wk = 0.0018149 k( 319) = ( 0.1015625 0.1128527 -0.0000000), wk = 0.0018149 k( 320) = ( 0.0937500 0.1041717 0.0000000), wk = 0.0018149 k( 321) = ( 0.0859375 0.0954907 0.0000000), wk = 0.0018149 k( 322) = ( 0.0781250 0.0868097 -0.0000000), wk = 0.0018149 k( 323) = ( 0.0703125 0.0781288 -0.0000000), wk = 0.0018149 k( 324) = ( 0.0625000 0.0694478 -0.0000000), wk = 0.0018149 k( 325) = ( 0.0546875 0.0607668 0.0000000), wk = 0.0018149 k( 326) = ( 0.0468750 0.0520858 0.0000000), wk = 0.0018149 k( 327) = ( 0.0390625 0.0434049 -0.0000000), wk = 0.0018149 k( 328) = ( 0.0312500 0.0347239 -0.0000000), wk = 0.0018149 k( 329) = ( 0.0234375 0.0260429 0.0000000), wk = 0.0018149 k( 330) = ( 0.0156250 0.0173619 -0.0000000), wk = 0.0018149 k( 331) = ( 0.0078125 0.0086810 -0.0000000), wk = 0.0018149 k( 332) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018149 k( 333) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018149 k( 334) = ( 0.0076088 -0.0068476 0.0056311), wk = 0.0018149 k( 335) = ( 0.0152176 -0.0136952 0.0112621), wk = 0.0018149 k( 336) = ( 0.0228264 -0.0205428 0.0168932), wk = 0.0018149 k( 337) = ( 0.0304352 -0.0273904 0.0225243), wk = 0.0018149 k( 338) = ( 0.0380440 -0.0342379 0.0281554), wk = 0.0018149 k( 339) = ( 0.0456528 -0.0410855 0.0337864), wk = 0.0018149 k( 340) = ( 0.0532616 -0.0479331 0.0394175), wk = 0.0018149 k( 341) = ( 0.0608704 -0.0547807 0.0450486), wk = 0.0018149 k( 342) = ( 0.0684792 -0.0616283 0.0506797), wk = 0.0018149 k( 343) = ( 0.0760880 -0.0684759 0.0563107), wk = 0.0018149 k( 344) = ( 0.0836968 -0.0753235 0.0619418), wk = 0.0018149 k( 345) = ( 0.0913056 -0.0821711 0.0675729), wk = 0.0018149 k( 346) = ( 0.0989144 -0.0890187 0.0732039), wk = 0.0018149 k( 347) = ( 0.1065232 -0.0958663 0.0788350), wk = 0.0018149 k( 348) = ( 0.1141320 -0.1027138 0.0844661), wk = 0.0018149 k( 349) = ( 0.1217408 -0.1095614 0.0900972), wk = 0.0018149 k( 350) = ( 0.1293496 -0.1164090 0.0957282), wk = 0.0018149 k( 351) = ( 0.1369584 -0.1232566 0.1013593), wk = 0.0018149 k( 352) = ( 0.1445672 -0.1301042 0.1069904), wk = 0.0018149 k( 353) = ( 0.1521760 -0.1369518 0.1126215), wk = 0.0018149 k( 354) = ( 0.1597848 -0.1437994 0.1182525), wk = 0.0018149 k( 355) = ( 0.1673936 -0.1506470 0.1238836), wk = 0.0018149 k( 356) = ( 0.1750024 -0.1574946 0.1295147), wk = 0.0018149 k( 357) = ( 0.1826112 -0.1643421 0.1351457), wk = 0.0018149 k( 358) = ( 0.1902200 -0.1711897 0.1407768), wk = 0.0018149 k( 359) = ( 0.1978288 -0.1780373 0.1464079), wk = 0.0018149 k( 360) = ( 0.2054376 -0.1848849 0.1520390), wk = 0.0018149 k( 361) = ( 0.2130464 -0.1917325 0.1576700), wk = 0.0018149 k( 362) = ( 0.2206552 -0.1985801 0.1633011), wk = 0.0018149 k( 363) = ( 0.2282640 -0.2054277 0.1689322), wk = 0.0018149 k( 364) = ( 0.2358728 -0.2122753 0.1745633), wk = 0.0018149 k( 365) = ( 0.2434816 -0.2191229 0.1801943), wk = 0.0018149 k( 366) = ( 0.2510904 -0.2259705 0.1858254), wk = 0.0018149 k( 367) = ( 0.2586992 -0.2328180 0.1914565), wk = 0.0018149 k( 368) = ( 0.2663080 -0.2396656 0.1970876), wk = 0.0018149 k( 369) = ( 0.2739168 -0.2465132 0.2027186), wk = 0.0018149 k( 370) = ( 0.2815256 -0.2533608 0.2083497), wk = 0.0018149 k( 371) = ( 0.2891344 -0.2602084 0.2139808), wk = 0.0018149 k( 372) = ( 0.2967432 -0.2670560 0.2196118), wk = 0.0018149 k( 373) = ( 0.3043520 -0.2739036 0.2252429), wk = 0.0018149 k( 374) = ( 0.3119608 -0.2807512 0.2308740), wk = 0.0018149 k( 375) = ( 0.3195696 -0.2875988 0.2365051), wk = 0.0018149 k( 376) = ( 0.3271784 -0.2944463 0.2421361), wk = 0.0018149 k( 377) = ( 0.3347872 -0.3012939 0.2477672), wk = 0.0018149 k( 378) = ( 0.3423960 -0.3081415 0.2533983), wk = 0.0018149 k( 379) = ( 0.3500048 -0.3149891 0.2590294), wk = 0.0018149 k( 380) = ( 0.3576136 -0.3218367 0.2646604), wk = 0.0018149 k( 381) = ( 0.3652224 -0.3286843 0.2702915), wk = 0.0018149 k( 382) = ( 0.3728312 -0.3355319 0.2759226), wk = 0.0018149 k( 383) = ( 0.3804400 -0.3423795 0.2815537), wk = 0.0018149 k( 384) = ( 0.3880488 -0.3492271 0.2871847), wk = 0.0018149 k( 385) = ( 0.3956576 -0.3560747 0.2928158), wk = 0.0018149 k( 386) = ( 0.4032664 -0.3629222 0.2984469), wk = 0.0018149 k( 387) = ( 0.4108752 -0.3697698 0.3040779), wk = 0.0018149 k( 388) = ( 0.4184840 -0.3766174 0.3097090), wk = 0.0018149 k( 389) = ( 0.4260928 -0.3834650 0.3153401), wk = 0.0018149 k( 390) = ( 0.4337016 -0.3903126 0.3209712), wk = 0.0018149 k( 391) = ( 0.4413104 -0.3971602 0.3266022), wk = 0.0018149 k( 392) = ( 0.4489192 -0.4040078 0.3322333), wk = 0.0018149 k( 393) = ( 0.4565280 -0.4108554 0.3378644), wk = 0.0018149 k( 394) = ( 0.4641368 -0.4177030 0.3434955), wk = 0.0018149 k( 395) = ( 0.4717456 -0.4245505 0.3491265), wk = 0.0018149 k( 396) = ( 0.4793544 -0.4313981 0.3547576), wk = 0.0018149 k( 397) = ( 0.4869632 -0.4382457 0.3603887), wk = 0.0018149 k( 398) = ( 0.4869632 -0.4382457 0.3603887), wk = 0.0018149 k( 399) = ( 0.4872529 -0.4273335 0.3564916), wk = 0.0018149 k( 400) = ( 0.4875426 -0.4164214 0.3525944), wk = 0.0018149 k( 401) = ( 0.4878323 -0.4055092 0.3486973), wk = 0.0018149 k( 402) = ( 0.4881220 -0.3945970 0.3448002), wk = 0.0018149 k( 403) = ( 0.4884117 -0.3836849 0.3409031), wk = 0.0018149 k( 404) = ( 0.4887014 -0.3727727 0.3370060), wk = 0.0018149 k( 405) = ( 0.4889911 -0.3618605 0.3331089), wk = 0.0018149 k( 406) = ( 0.4892808 -0.3509483 0.3292117), wk = 0.0018149 k( 407) = ( 0.4895705 -0.3400362 0.3253146), wk = 0.0018149 k( 408) = ( 0.4898602 -0.3291240 0.3214175), wk = 0.0018149 k( 409) = ( 0.4901499 -0.3182118 0.3175204), wk = 0.0018149 k( 410) = ( 0.4904397 -0.3072997 0.3136233), wk = 0.0018149 k( 411) = ( 0.4907294 -0.2963875 0.3097262), wk = 0.0018149 k( 412) = ( 0.4910191 -0.2854753 0.3058290), wk = 0.0018149 k( 413) = ( 0.4913088 -0.2745631 0.3019319), wk = 0.0018149 k( 414) = ( 0.4915985 -0.2636510 0.2980348), wk = 0.0018149 k( 415) = ( 0.4918882 -0.2527388 0.2941377), wk = 0.0018149 k( 416) = ( 0.4921779 -0.2418266 0.2902406), wk = 0.0018149 k( 417) = ( 0.4924676 -0.2309145 0.2863435), wk = 0.0018149 k( 418) = ( 0.4927573 -0.2200023 0.2824464), wk = 0.0018149 k( 419) = ( 0.4930470 -0.2090901 0.2785492), wk = 0.0018149 k( 420) = ( 0.4933367 -0.1981779 0.2746521), wk = 0.0018149 k( 421) = ( 0.4936264 -0.1872658 0.2707550), wk = 0.0018149 k( 422) = ( 0.4939161 -0.1763536 0.2668579), wk = 0.0018149 k( 423) = ( 0.4942059 -0.1654414 0.2629608), wk = 0.0018149 k( 424) = ( 0.4944956 -0.1545293 0.2590637), wk = 0.0018149 k( 425) = ( 0.4947853 -0.1436171 0.2551665), wk = 0.0018149 k( 426) = ( 0.4950750 -0.1327049 0.2512694), wk = 0.0018149 k( 427) = ( 0.4953647 -0.1217927 0.2473723), wk = 0.0018149 k( 428) = ( 0.4956544 -0.1108806 0.2434752), wk = 0.0018149 k( 429) = ( 0.4959441 -0.0999684 0.2395781), wk = 0.0018149 k( 430) = ( 0.4962338 -0.0890562 0.2356810), wk = 0.0018149 k( 431) = ( 0.4965235 -0.0781441 0.2317838), wk = 0.0018149 k( 432) = ( 0.4968132 -0.0672319 0.2278867), wk = 0.0018149 k( 433) = ( 0.4971029 -0.0563197 0.2239896), wk = 0.0018149 k( 434) = ( 0.4973926 -0.0454075 0.2200925), wk = 0.0018149 k( 435) = ( 0.4976823 -0.0344954 0.2161954), wk = 0.0018149 k( 436) = ( 0.4979720 -0.0235832 0.2122983), wk = 0.0018149 k( 437) = ( 0.4982618 -0.0126710 0.2084011), wk = 0.0018149 k( 438) = ( 0.4985515 -0.0017589 0.2045040), wk = 0.0018149 k( 439) = ( 0.4988412 0.0091533 0.2006069), wk = 0.0018149 k( 440) = ( 0.4991309 0.0200655 0.1967098), wk = 0.0018149 k( 441) = ( 0.4994206 0.0309777 0.1928127), wk = 0.0018149 k( 442) = ( 0.4997103 0.0418898 0.1889156), wk = 0.0018149 k( 443) = ( 0.5000000 0.0528020 0.1850184), wk = 0.0018149 k( 444) = ( 0.5000000 0.0528020 0.1850184), wk = 0.0018149 k( 445) = ( 0.4958333 0.0565518 0.1952084), wk = 0.0018149 k( 446) = ( 0.4916667 0.0603016 0.2053984), wk = 0.0018149 k( 447) = ( 0.4875000 0.0640515 0.2155884), wk = 0.0018149 k( 448) = ( 0.4833333 0.0678013 0.2257784), wk = 0.0018149 k( 449) = ( 0.4791667 0.0715511 0.2359684), wk = 0.0018149 k( 450) = ( 0.4750000 0.0753009 0.2461584), wk = 0.0018149 k( 451) = ( 0.4708333 0.0790507 0.2563484), wk = 0.0018149 k( 452) = ( 0.4666667 0.0828006 0.2665383), wk = 0.0018149 k( 453) = ( 0.4625000 0.0865504 0.2767283), wk = 0.0018149 k( 454) = ( 0.4583333 0.0903002 0.2869183), wk = 0.0018149 k( 455) = ( 0.4541667 0.0940500 0.2971083), wk = 0.0018149 k( 456) = ( 0.4500000 0.0977998 0.3072983), wk = 0.0018149 k( 457) = ( 0.4458333 0.1015497 0.3174883), wk = 0.0018149 k( 458) = ( 0.4416667 0.1052995 0.3276782), wk = 0.0018149 k( 459) = ( 0.4375000 0.1090493 0.3378682), wk = 0.0018149 k( 460) = ( 0.4333333 0.1127991 0.3480582), wk = 0.0018149 k( 461) = ( 0.4291667 0.1165489 0.3582482), wk = 0.0018149 k( 462) = ( 0.4250000 0.1202988 0.3684382), wk = 0.0018149 k( 463) = ( 0.4208333 0.1240486 0.3786282), wk = 0.0018149 k( 464) = ( 0.4166667 0.1277984 0.3888182), wk = 0.0018149 k( 465) = ( 0.4125000 0.1315482 0.3990081), wk = 0.0018149 k( 466) = ( 0.4083333 0.1352980 0.4091981), wk = 0.0018149 k( 467) = ( 0.4041667 0.1390478 0.4193881), wk = 0.0018149 k( 468) = ( 0.4000000 0.1427977 0.4295781), wk = 0.0018149 k( 469) = ( 0.3958333 0.1465475 0.4397681), wk = 0.0018149 k( 470) = ( 0.3916667 0.1502973 0.4499581), wk = 0.0018149 k( 471) = ( 0.3875000 0.1540471 0.4601481), wk = 0.0018149 k( 472) = ( 0.3833333 0.1577970 0.4703381), wk = 0.0018149 k( 473) = ( 0.3791667 0.1615468 0.4805280), wk = 0.0018149 k( 474) = ( 0.3750000 0.1652966 0.4907180), wk = 0.0018149 k( 475) = ( 0.3708333 0.1690464 0.5009080), wk = 0.0018149 k( 476) = ( 0.3666667 0.1727962 0.5110980), wk = 0.0018149 k( 477) = ( 0.3625000 0.1765460 0.5212880), wk = 0.0018149 k( 478) = ( 0.3583333 0.1802959 0.5314780), wk = 0.0018149 k( 479) = ( 0.3541667 0.1840457 0.5416679), wk = 0.0018149 k( 480) = ( 0.3500000 0.1877955 0.5518579), wk = 0.0018149 k( 481) = ( 0.3458333 0.1915453 0.5620479), wk = 0.0018149 k( 482) = ( 0.3416667 0.1952951 0.5722379), wk = 0.0018149 k( 483) = ( 0.3375000 0.1990450 0.5824279), wk = 0.0018149 k( 484) = ( 0.3333333 0.2027948 0.5926179), wk = 0.0018149 k( 485) = ( 0.3291667 0.2065446 0.6028079), wk = 0.0018149 k( 486) = ( 0.3250000 0.2102944 0.6129978), wk = 0.0018149 k( 487) = ( 0.3208333 0.2140442 0.6231878), wk = 0.0018149 k( 488) = ( 0.3166667 0.2177941 0.6333778), wk = 0.0018149 k( 489) = ( 0.3125000 0.2215439 0.6435678), wk = 0.0018149 k( 490) = ( 0.3083333 0.2252937 0.6537578), wk = 0.0018149 k( 491) = ( 0.3041667 0.2290435 0.6639478), wk = 0.0018149 k( 492) = ( 0.3000000 0.2327933 0.6741378), wk = 0.0018149 k( 493) = ( 0.2958333 0.2365432 0.6843278), wk = 0.0018149 k( 494) = ( 0.2916667 0.2402930 0.6945177), wk = 0.0018149 k( 495) = ( 0.2875000 0.2440428 0.7047077), wk = 0.0018149 k( 496) = ( 0.2833333 0.2477926 0.7148977), wk = 0.0018149 k( 497) = ( 0.2791667 0.2515424 0.7250877), wk = 0.0018149 k( 498) = ( 0.2750000 0.2552922 0.7352777), wk = 0.0018149 k( 499) = ( 0.2708333 0.2590421 0.7454677), wk = 0.0018149 k( 500) = ( 0.2666667 0.2627919 0.7556576), wk = 0.0018149 k( 501) = ( 0.2625000 0.2665417 0.7658476), wk = 0.0018149 k( 502) = ( 0.2583333 0.2702915 0.7760376), wk = 0.0018149 k( 503) = ( 0.2541667 0.2740413 0.7862276), wk = 0.0018149 k( 504) = ( 0.2500000 0.2777912 0.7964176), wk = 0.0018149 k( 505) = ( 0.3086717 -0.2777912 0.7964176), wk = 0.0018149 k( 506) = ( 0.3128180 -0.2815227 0.7862774), wk = 0.0018149 k( 507) = ( 0.3169644 -0.2852542 0.7761372), wk = 0.0018149 k( 508) = ( 0.3211107 -0.2889857 0.7659970), wk = 0.0018149 k( 509) = ( 0.3252570 -0.2927172 0.7558568), wk = 0.0018149 k( 510) = ( 0.3294033 -0.2964487 0.7457166), wk = 0.0018149 k( 511) = ( 0.3335496 -0.3001802 0.7355763), wk = 0.0018149 k( 512) = ( 0.3376959 -0.3039117 0.7254361), wk = 0.0018149 k( 513) = ( 0.3418422 -0.3076432 0.7152959), wk = 0.0018149 k( 514) = ( 0.3459885 -0.3113747 0.7051557), wk = 0.0018149 k( 515) = ( 0.3501348 -0.3151062 0.6950155), wk = 0.0018149 k( 516) = ( 0.3542812 -0.3188377 0.6848753), wk = 0.0018149 k( 517) = ( 0.3584275 -0.3225692 0.6747351), wk = 0.0018149 k( 518) = ( 0.3625738 -0.3263007 0.6645949), wk = 0.0018149 k( 519) = ( 0.3667201 -0.3300322 0.6544547), wk = 0.0018149 k( 520) = ( 0.3708664 -0.3337637 0.6443145), wk = 0.0018149 k( 521) = ( 0.3750127 -0.3374952 0.6341743), wk = 0.0018149 k( 522) = ( 0.3791590 -0.3412267 0.6240341), wk = 0.0018149 k( 523) = ( 0.3833053 -0.3449582 0.6138939), wk = 0.0018149 k( 524) = ( 0.3874517 -0.3486897 0.6037537), wk = 0.0018149 k( 525) = ( 0.3915980 -0.3524212 0.5936134), wk = 0.0018149 k( 526) = ( 0.3957443 -0.3561527 0.5834732), wk = 0.0018149 k( 527) = ( 0.3998906 -0.3598842 0.5733330), wk = 0.0018149 k( 528) = ( 0.4040369 -0.3636157 0.5631928), wk = 0.0018149 k( 529) = ( 0.4081832 -0.3673472 0.5530526), wk = 0.0018149 k( 530) = ( 0.4123295 -0.3710787 0.5429124), wk = 0.0018149 k( 531) = ( 0.4164758 -0.3748102 0.5327722), wk = 0.0018149 k( 532) = ( 0.4206222 -0.3785417 0.5226320), wk = 0.0018149 k( 533) = ( 0.4247685 -0.3822732 0.5124918), wk = 0.0018149 k( 534) = ( 0.4289148 -0.3860047 0.5023516), wk = 0.0018149 k( 535) = ( 0.4330611 -0.3897362 0.4922114), wk = 0.0018149 k( 536) = ( 0.4372074 -0.3934677 0.4820712), wk = 0.0018149 k( 537) = ( 0.4413537 -0.3971992 0.4719309), wk = 0.0018149 k( 538) = ( 0.4455000 -0.4009307 0.4617907), wk = 0.0018149 k( 539) = ( 0.4496463 -0.4046622 0.4516505), wk = 0.0018149 k( 540) = ( 0.4537927 -0.4083937 0.4415103), wk = 0.0018149 k( 541) = ( 0.4579390 -0.4121252 0.4313701), wk = 0.0018149 k( 542) = ( 0.4620853 -0.4158567 0.4212299), wk = 0.0018149 k( 543) = ( 0.4662316 -0.4195882 0.4110897), wk = 0.0018149 k( 544) = ( 0.4703779 -0.4233197 0.4009495), wk = 0.0018149 k( 545) = ( 0.4745242 -0.4270512 0.3908093), wk = 0.0018149 k( 546) = ( 0.4786705 -0.4307827 0.3806691), wk = 0.0018149 k( 547) = ( 0.4828169 -0.4345142 0.3705289), wk = 0.0018149 k( 548) = ( 0.4869632 -0.4382457 0.3603887), wk = 0.0018149 k( 549) = ( 0.5130368 0.5438497 0.0096482), wk = 0.0018149 k( 550) = ( 0.5065184 0.5497160 0.0048241), wk = 0.0018149 k( 551) = ( 0.5000000 0.5555823 -0.0000000), wk = 0.0018149 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018149 k( 2) = ( -0.0041780 0.0041780 0.0041780), wk = 0.0018149 k( 3) = ( -0.0083561 0.0083561 0.0083561), wk = 0.0018149 k( 4) = ( -0.0125341 0.0125341 0.0125341), wk = 0.0018149 k( 5) = ( -0.0167121 0.0167121 0.0167121), wk = 0.0018149 k( 6) = ( -0.0208902 0.0208902 0.0208902), wk = 0.0018149 k( 7) = ( -0.0250682 0.0250682 0.0250682), wk = 0.0018149 k( 8) = ( -0.0292462 0.0292462 0.0292462), wk = 0.0018149 k( 9) = ( -0.0334243 0.0334243 0.0334243), wk = 0.0018149 k( 10) = ( -0.0376023 0.0376023 0.0376023), wk = 0.0018149 k( 11) = ( -0.0417803 0.0417803 0.0417803), wk = 0.0018149 k( 12) = ( -0.0459584 0.0459584 0.0459584), wk = 0.0018149 k( 13) = ( -0.0501364 0.0501364 0.0501364), wk = 0.0018149 k( 14) = ( -0.0543144 0.0543144 0.0543144), wk = 0.0018149 k( 15) = ( -0.0584925 0.0584925 0.0584925), wk = 0.0018149 k( 16) = ( -0.0626705 0.0626705 0.0626705), wk = 0.0018149 k( 17) = ( -0.0668485 0.0668485 0.0668485), wk = 0.0018149 k( 18) = ( -0.0710266 0.0710266 0.0710266), wk = 0.0018149 k( 19) = ( -0.0752046 0.0752046 0.0752046), wk = 0.0018149 k( 20) = ( -0.0793826 0.0793826 0.0793826), wk = 0.0018149 k( 21) = ( -0.0835607 0.0835607 0.0835607), wk = 0.0018149 k( 22) = ( -0.0877387 0.0877387 0.0877387), wk = 0.0018149 k( 23) = ( -0.0919167 0.0919167 0.0919167), wk = 0.0018149 k( 24) = ( -0.0960948 0.0960948 0.0960948), wk = 0.0018149 k( 25) = ( -0.1002728 0.1002728 0.1002728), wk = 0.0018149 k( 26) = ( -0.1044508 0.1044508 0.1044508), wk = 0.0018149 k( 27) = ( -0.1086289 0.1086289 0.1086289), wk = 0.0018149 k( 28) = ( -0.1128069 0.1128069 0.1128069), wk = 0.0018149 k( 29) = ( -0.1169849 0.1169849 0.1169849), wk = 0.0018149 k( 30) = ( -0.1211630 0.1211630 0.1211630), wk = 0.0018149 k( 31) = ( -0.1253410 0.1253410 0.1253410), wk = 0.0018149 k( 32) = ( -0.1295190 0.1295190 0.1295190), wk = 0.0018149 k( 33) = ( -0.1336971 0.1336971 0.1336971), wk = 0.0018149 k( 34) = ( -0.1378751 0.1378751 0.1378751), wk = 0.0018149 k( 35) = ( -0.1420531 0.1420531 0.1420531), wk = 0.0018149 k( 36) = ( -0.1462312 0.1462312 0.1462312), wk = 0.0018149 k( 37) = ( -0.1504092 0.1504092 0.1504092), wk = 0.0018149 k( 38) = ( -0.1545872 0.1545872 0.1545872), wk = 0.0018149 k( 39) = ( -0.1587653 0.1587653 0.1587653), wk = 0.0018149 k( 40) = ( -0.1629433 0.1629433 0.1629433), wk = 0.0018149 k( 41) = ( -0.1671213 0.1671213 0.1671213), wk = 0.0018149 k( 42) = ( -0.1712994 0.1712994 0.1712994), wk = 0.0018149 k( 43) = ( -0.1754774 0.1754774 0.1754774), wk = 0.0018149 k( 44) = ( -0.1796554 0.1796554 0.1796554), wk = 0.0018149 k( 45) = ( -0.1838335 0.1838335 0.1838335), wk = 0.0018149 k( 46) = ( -0.1880115 0.1880115 0.1880115), wk = 0.0018149 k( 47) = ( -0.1921895 0.1921895 0.1921895), wk = 0.0018149 k( 48) = ( -0.1963676 0.1963676 0.1963676), wk = 0.0018149 k( 49) = ( -0.2005456 0.2005456 0.2005456), wk = 0.0018149 k( 50) = ( -0.2047236 0.2047236 0.2047236), wk = 0.0018149 k( 51) = ( -0.2089017 0.2089017 0.2089017), wk = 0.0018149 k( 52) = ( -0.2130797 0.2130797 0.2130797), wk = 0.0018149 k( 53) = ( -0.2172577 0.2172577 0.2172577), wk = 0.0018149 k( 54) = ( -0.2214358 0.2214358 0.2214358), wk = 0.0018149 k( 55) = ( -0.2256138 0.2256138 0.2256138), wk = 0.0018149 k( 56) = ( -0.2297918 0.2297918 0.2297918), wk = 0.0018149 k( 57) = ( -0.2339699 0.2339699 0.2339699), wk = 0.0018149 k( 58) = ( -0.2381479 0.2381479 0.2381479), wk = 0.0018149 k( 59) = ( -0.2423259 0.2423259 0.2423259), wk = 0.0018149 k( 60) = ( -0.2465040 0.2465040 0.2465040), wk = 0.0018149 k( 61) = ( -0.2506820 0.2506820 0.2506820), wk = 0.0018149 k( 62) = ( -0.2548600 0.2548600 0.2548600), wk = 0.0018149 k( 63) = ( -0.2590381 0.2590381 0.2590381), wk = 0.0018149 k( 64) = ( -0.2632161 0.2632161 0.2632161), wk = 0.0018149 k( 65) = ( -0.2673941 0.2673941 0.2673941), wk = 0.0018149 k( 66) = ( -0.2715722 0.2715722 0.2715722), wk = 0.0018149 k( 67) = ( -0.2757502 0.2757502 0.2757502), wk = 0.0018149 k( 68) = ( -0.2799282 0.2799282 0.2799282), wk = 0.0018149 k( 69) = ( -0.2841063 0.2841063 0.2841063), wk = 0.0018149 k( 70) = ( -0.2882843 0.2882843 0.2882843), wk = 0.0018149 k( 71) = ( -0.2924623 0.2924623 0.2924623), wk = 0.0018149 k( 72) = ( -0.2966404 0.2966404 0.2966404), wk = 0.0018149 k( 73) = ( -0.3008184 0.3008184 0.3008184), wk = 0.0018149 k( 74) = ( -0.3049964 0.3049964 0.3049964), wk = 0.0018149 k( 75) = ( -0.3091745 0.3091745 0.3091745), wk = 0.0018149 k( 76) = ( -0.3133525 0.3133525 0.3133525), wk = 0.0018149 k( 77) = ( -0.3175305 0.3175305 0.3175305), wk = 0.0018149 k( 78) = ( -0.3217086 0.3217086 0.3217086), wk = 0.0018149 k( 79) = ( -0.3217086 0.3217086 0.3217086), wk = 0.0018149 k( 80) = ( -0.3151902 0.3151902 0.3282270), wk = 0.0018149 k( 81) = ( -0.3086717 0.3086717 0.3347454), wk = 0.0018149 k( 82) = ( -0.3086717 0.3086717 0.3347454), wk = 0.0018149 k( 83) = ( -0.3000975 0.3000975 0.3393358), wk = 0.0018149 k( 84) = ( -0.2915233 0.2915233 0.3439262), wk = 0.0018149 k( 85) = ( -0.2829491 0.2829491 0.3485166), wk = 0.0018149 k( 86) = ( -0.2743749 0.2743749 0.3531070), wk = 0.0018149 k( 87) = ( -0.2658007 0.2658007 0.3576974), wk = 0.0018149 k( 88) = ( -0.2572264 0.2572264 0.3622878), wk = 0.0018149 k( 89) = ( -0.2486522 0.2486522 0.3668782), wk = 0.0018149 k( 90) = ( -0.2400780 0.2400780 0.3714687), wk = 0.0018149 k( 91) = ( -0.2315038 0.2315038 0.3760591), wk = 0.0018149 k( 92) = ( -0.2229296 0.2229296 0.3806495), wk = 0.0018149 k( 93) = ( -0.2143554 0.2143554 0.3852399), wk = 0.0018149 k( 94) = ( -0.2057811 0.2057811 0.3898303), wk = 0.0018149 k( 95) = ( -0.1972069 0.1972069 0.3944207), wk = 0.0018149 k( 96) = ( -0.1886327 0.1886327 0.3990111), wk = 0.0018149 k( 97) = ( -0.1800585 0.1800585 0.4036015), wk = 0.0018149 k( 98) = ( -0.1714843 0.1714843 0.4081919), wk = 0.0018149 k( 99) = ( -0.1629101 0.1629101 0.4127823), wk = 0.0018149 k( 100) = ( -0.1543359 0.1543359 0.4173727), wk = 0.0018149 k( 101) = ( -0.1457616 0.1457616 0.4219631), wk = 0.0018149 k( 102) = ( -0.1371874 0.1371874 0.4265535), wk = 0.0018149 k( 103) = ( -0.1286132 0.1286132 0.4311439), wk = 0.0018149 k( 104) = ( -0.1200390 0.1200390 0.4357343), wk = 0.0018149 k( 105) = ( -0.1114648 0.1114648 0.4403247), wk = 0.0018149 k( 106) = ( -0.1028906 0.1028906 0.4449151), wk = 0.0018149 k( 107) = ( -0.0943164 0.0943164 0.4495055), wk = 0.0018149 k( 108) = ( -0.0857422 0.0857422 0.4540959), wk = 0.0018149 k( 109) = ( -0.0771679 0.0771679 0.4586864), wk = 0.0018149 k( 110) = ( -0.0685937 0.0685937 0.4632768), wk = 0.0018149 k( 111) = ( -0.0600195 0.0600195 0.4678672), wk = 0.0018149 k( 112) = ( -0.0514453 0.0514453 0.4724576), wk = 0.0018149 k( 113) = ( -0.0428711 0.0428711 0.4770480), wk = 0.0018149 k( 114) = ( -0.0342969 0.0342969 0.4816384), wk = 0.0018149 k( 115) = ( -0.0257226 0.0257226 0.4862288), wk = 0.0018149 k( 116) = ( -0.0171484 0.0171484 0.4908192), wk = 0.0018149 k( 117) = ( -0.0085742 0.0085742 0.4954096), wk = 0.0018149 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018149 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018149 k( 120) = ( 0.0078125 0.0078125 0.4921875), wk = 0.0018149 k( 121) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0018149 k( 122) = ( 0.0234375 0.0234375 0.4765625), wk = 0.0018149 k( 123) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0018149 k( 124) = ( 0.0390625 0.0390625 0.4609375), wk = 0.0018149 k( 125) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0018149 k( 126) = ( 0.0546875 0.0546875 0.4453125), wk = 0.0018149 k( 127) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0018149 k( 128) = ( 0.0703125 0.0703125 0.4296875), wk = 0.0018149 k( 129) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0018149 k( 130) = ( 0.0859375 0.0859375 0.4140625), wk = 0.0018149 k( 131) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0018149 k( 132) = ( 0.1015625 0.1015625 0.3984375), wk = 0.0018149 k( 133) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0018149 k( 134) = ( 0.1171875 0.1171875 0.3828125), wk = 0.0018149 k( 135) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0018149 k( 136) = ( 0.1328125 0.1328125 0.3671875), wk = 0.0018149 k( 137) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0018149 k( 138) = ( 0.1484375 0.1484375 0.3515625), wk = 0.0018149 k( 139) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0018149 k( 140) = ( 0.1640625 0.1640625 0.3359375), wk = 0.0018149 k( 141) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0018149 k( 142) = ( 0.1796875 0.1796875 0.3203125), wk = 0.0018149 k( 143) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0018149 k( 144) = ( 0.1953125 0.1953125 0.3046875), wk = 0.0018149 k( 145) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0018149 k( 146) = ( 0.2109375 0.2109375 0.2890625), wk = 0.0018149 k( 147) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0018149 k( 148) = ( 0.2265625 0.2265625 0.2734375), wk = 0.0018149 k( 149) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0018149 k( 150) = ( 0.2421875 0.2421875 0.2578125), wk = 0.0018149 k( 151) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018149 k( 152) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018149 k( 153) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0018149 k( 154) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0018149 k( 155) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0018149 k( 156) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0018149 k( 157) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0018149 k( 158) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0018149 k( 159) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0018149 k( 160) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0018149 k( 161) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0018149 k( 162) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0018149 k( 163) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0018149 k( 164) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0018149 k( 165) = ( 0.1515151 0.3484849 0.1515151), wk = 0.0018149 k( 166) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0018149 k( 167) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0018149 k( 168) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0018149 k( 169) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0018149 k( 170) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0018149 k( 171) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0018149 k( 172) = ( 0.0984848 0.4015151 0.0984848), wk = 0.0018149 k( 173) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0018149 k( 174) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0018149 k( 175) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0018149 k( 176) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0018149 k( 177) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0018149 k( 178) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0018149 k( 179) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0018149 k( 180) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0018149 k( 181) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0018149 k( 182) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0018149 k( 183) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0018149 k( 184) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0018149 k( 185) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018149 k( 186) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018149 k( 187) = ( 0.0086948 0.5048187 -0.0086948), wk = 0.0018149 k( 188) = ( 0.0173896 0.5096374 -0.0173896), wk = 0.0018149 k( 189) = ( 0.0260845 0.5144561 -0.0260845), wk = 0.0018149 k( 190) = ( 0.0347793 0.5192747 -0.0347793), wk = 0.0018149 k( 191) = ( 0.0434741 0.5240934 -0.0434741), wk = 0.0018149 k( 192) = ( 0.0521690 0.5289121 -0.0521690), wk = 0.0018149 k( 193) = ( 0.0608638 0.5337308 -0.0608638), wk = 0.0018149 k( 194) = ( 0.0695586 0.5385495 -0.0695586), wk = 0.0018149 k( 195) = ( 0.0782534 0.5433682 -0.0782534), wk = 0.0018149 k( 196) = ( 0.0869483 0.5481869 -0.0869483), wk = 0.0018149 k( 197) = ( 0.0956431 0.5530056 -0.0956431), wk = 0.0018149 k( 198) = ( 0.1043379 0.5578242 -0.1043379), wk = 0.0018149 k( 199) = ( 0.1130327 0.5626429 -0.1130327), wk = 0.0018149 k( 200) = ( 0.1217276 0.5674616 -0.1217276), wk = 0.0018149 k( 201) = ( 0.1304224 0.5722803 -0.1304224), wk = 0.0018149 k( 202) = ( 0.1391172 0.5770990 -0.1391172), wk = 0.0018149 k( 203) = ( 0.1478120 0.5819177 -0.1478120), wk = 0.0018149 k( 204) = ( 0.1565069 0.5867364 -0.1565069), wk = 0.0018149 k( 205) = ( 0.1652017 0.5915551 -0.1652017), wk = 0.0018149 k( 206) = ( 0.1738965 0.5963738 -0.1738965), wk = 0.0018149 k( 207) = ( 0.1825914 0.6011924 -0.1825914), wk = 0.0018149 k( 208) = ( 0.1912862 0.6060111 -0.1912862), wk = 0.0018149 k( 209) = ( 0.1999810 0.6108298 -0.1999810), wk = 0.0018149 k( 210) = ( 0.2086758 0.6156485 -0.2086758), wk = 0.0018149 k( 211) = ( 0.2173706 0.6204672 -0.2173706), wk = 0.0018149 k( 212) = ( 0.2260655 0.6252859 -0.2260655), wk = 0.0018149 k( 213) = ( 0.2347603 0.6301046 -0.2347603), wk = 0.0018149 k( 214) = ( 0.2434551 0.6349233 -0.2434551), wk = 0.0018149 k( 215) = ( 0.2521500 0.6397419 -0.2521500), wk = 0.0018149 k( 216) = ( 0.2608448 0.6445606 -0.2608448), wk = 0.0018149 k( 217) = ( 0.2695396 0.6493793 -0.2695396), wk = 0.0018149 k( 218) = ( 0.2782344 0.6541980 -0.2782344), wk = 0.0018149 k( 219) = ( 0.2869293 0.6590167 -0.2869293), wk = 0.0018149 k( 220) = ( 0.2956241 0.6638354 -0.2956241), wk = 0.0018149 k( 221) = ( 0.3043189 0.6686541 -0.3043189), wk = 0.0018149 k( 222) = ( 0.3130137 0.6734727 -0.3130137), wk = 0.0018149 k( 223) = ( 0.3217086 0.6782914 -0.3217086), wk = 0.0018149 k( 224) = ( 0.3217086 0.6782914 -0.3217086), wk = 0.0018149 k( 225) = ( 0.3258549 0.6741451 -0.3258549), wk = 0.0018149 k( 226) = ( 0.3300012 0.6699988 -0.3300012), wk = 0.0018149 k( 227) = ( 0.3341475 0.6658525 -0.3341475), wk = 0.0018149 k( 228) = ( 0.3382938 0.6617062 -0.3382938), wk = 0.0018149 k( 229) = ( 0.3424401 0.6575599 -0.3424401), wk = 0.0018149 k( 230) = ( 0.3465864 0.6534136 -0.3465864), wk = 0.0018149 k( 231) = ( 0.3507327 0.6492673 -0.3507328), wk = 0.0018149 k( 232) = ( 0.3548791 0.6451209 -0.3548791), wk = 0.0018149 k( 233) = ( 0.3590254 0.6409746 -0.3590254), wk = 0.0018149 k( 234) = ( 0.3631717 0.6368283 -0.3631717), wk = 0.0018149 k( 235) = ( 0.3673180 0.6326820 -0.3673180), wk = 0.0018149 k( 236) = ( 0.3714643 0.6285357 -0.3714643), wk = 0.0018149 k( 237) = ( 0.3756106 0.6243894 -0.3756106), wk = 0.0018149 k( 238) = ( 0.3797569 0.6202431 -0.3797569), wk = 0.0018149 k( 239) = ( 0.3839032 0.6160968 -0.3839033), wk = 0.0018149 k( 240) = ( 0.3880496 0.6119504 -0.3880496), wk = 0.0018149 k( 241) = ( 0.3921959 0.6078041 -0.3921959), wk = 0.0018149 k( 242) = ( 0.3963422 0.6036578 -0.3963422), wk = 0.0018149 k( 243) = ( 0.4004885 0.5995115 -0.4004885), wk = 0.0018149 k( 244) = ( 0.4046348 0.5953652 -0.4046348), wk = 0.0018149 k( 245) = ( 0.4087811 0.5912189 -0.4087811), wk = 0.0018149 k( 246) = ( 0.4129274 0.5870726 -0.4129274), wk = 0.0018149 k( 247) = ( 0.4170738 0.5829263 -0.4170738), wk = 0.0018149 k( 248) = ( 0.4212201 0.5787799 -0.4212201), wk = 0.0018149 k( 249) = ( 0.4253664 0.5746336 -0.4253664), wk = 0.0018149 k( 250) = ( 0.4295127 0.5704873 -0.4295127), wk = 0.0018149 k( 251) = ( 0.4336590 0.5663410 -0.4336590), wk = 0.0018149 k( 252) = ( 0.4378053 0.5621947 -0.4378053), wk = 0.0018149 k( 253) = ( 0.4419516 0.5580484 -0.4419516), wk = 0.0018149 k( 254) = ( 0.4460979 0.5539021 -0.4460979), wk = 0.0018149 k( 255) = ( 0.4502443 0.5497558 -0.4502443), wk = 0.0018149 k( 256) = ( 0.4543906 0.5456094 -0.4543906), wk = 0.0018149 k( 257) = ( 0.4585369 0.5414631 -0.4585369), wk = 0.0018149 k( 258) = ( 0.4626832 0.5373168 -0.4626832), wk = 0.0018149 k( 259) = ( 0.4668295 0.5331705 -0.4668295), wk = 0.0018149 k( 260) = ( 0.4709758 0.5290242 -0.4709758), wk = 0.0018149 k( 261) = ( 0.4751221 0.5248779 -0.4751221), wk = 0.0018149 k( 262) = ( 0.4792684 0.5207316 -0.4792684), wk = 0.0018149 k( 263) = ( 0.4834148 0.5165852 -0.4834147), wk = 0.0018149 k( 264) = ( 0.4875611 0.5124389 -0.4875611), wk = 0.0018149 k( 265) = ( 0.4917074 0.5082926 -0.4917074), wk = 0.0018149 k( 266) = ( 0.4958537 0.5041463 -0.4958537), wk = 0.0018149 k( 267) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018149 k( 268) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018149 k( 269) = ( 0.4921875 0.4921875 -0.4921875), wk = 0.0018149 k( 270) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0018149 k( 271) = ( 0.4765625 0.4765625 -0.4765625), wk = 0.0018149 k( 272) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0018149 k( 273) = ( 0.4609375 0.4609375 -0.4609375), wk = 0.0018149 k( 274) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0018149 k( 275) = ( 0.4453125 0.4453125 -0.4453125), wk = 0.0018149 k( 276) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0018149 k( 277) = ( 0.4296875 0.4296875 -0.4296875), wk = 0.0018149 k( 278) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0018149 k( 279) = ( 0.4140625 0.4140625 -0.4140625), wk = 0.0018149 k( 280) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0018149 k( 281) = ( 0.3984375 0.3984375 -0.3984375), wk = 0.0018149 k( 282) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0018149 k( 283) = ( 0.3828125 0.3828125 -0.3828125), wk = 0.0018149 k( 284) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0018149 k( 285) = ( 0.3671875 0.3671875 -0.3671875), wk = 0.0018149 k( 286) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0018149 k( 287) = ( 0.3515625 0.3515625 -0.3515625), wk = 0.0018149 k( 288) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0018149 k( 289) = ( 0.3359375 0.3359375 -0.3359375), wk = 0.0018149 k( 290) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0018149 k( 291) = ( 0.3203125 0.3203125 -0.3203125), wk = 0.0018149 k( 292) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0018149 k( 293) = ( 0.3046875 0.3046875 -0.3046875), wk = 0.0018149 k( 294) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0018149 k( 295) = ( 0.2890625 0.2890625 -0.2890625), wk = 0.0018149 k( 296) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0018149 k( 297) = ( 0.2734375 0.2734375 -0.2734375), wk = 0.0018149 k( 298) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0018149 k( 299) = ( 0.2578125 0.2578125 -0.2578125), wk = 0.0018149 k( 300) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0018149 k( 301) = ( 0.2421875 0.2421875 -0.2421875), wk = 0.0018149 k( 302) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0018149 k( 303) = ( 0.2265625 0.2265625 -0.2265625), wk = 0.0018149 k( 304) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0018149 k( 305) = ( 0.2109375 0.2109375 -0.2109375), wk = 0.0018149 k( 306) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0018149 k( 307) = ( 0.1953125 0.1953125 -0.1953125), wk = 0.0018149 k( 308) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0018149 k( 309) = ( 0.1796875 0.1796875 -0.1796875), wk = 0.0018149 k( 310) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0018149 k( 311) = ( 0.1640625 0.1640625 -0.1640625), wk = 0.0018149 k( 312) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0018149 k( 313) = ( 0.1484375 0.1484375 -0.1484375), wk = 0.0018149 k( 314) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0018149 k( 315) = ( 0.1328125 0.1328125 -0.1328125), wk = 0.0018149 k( 316) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0018149 k( 317) = ( 0.1171875 0.1171875 -0.1171875), wk = 0.0018149 k( 318) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0018149 k( 319) = ( 0.1015625 0.1015625 -0.1015625), wk = 0.0018149 k( 320) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0018149 k( 321) = ( 0.0859375 0.0859375 -0.0859375), wk = 0.0018149 k( 322) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0018149 k( 323) = ( 0.0703125 0.0703125 -0.0703125), wk = 0.0018149 k( 324) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0018149 k( 325) = ( 0.0546875 0.0546875 -0.0546875), wk = 0.0018149 k( 326) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0018149 k( 327) = ( 0.0390625 0.0390625 -0.0390625), wk = 0.0018149 k( 328) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0018149 k( 329) = ( 0.0234375 0.0234375 -0.0234375), wk = 0.0018149 k( 330) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0018149 k( 331) = ( 0.0078125 0.0078125 -0.0078125), wk = 0.0018149 k( 332) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018149 k( 333) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018149 k( 334) = ( 0.0076088 -0.0076088 0.0076088), wk = 0.0018149 k( 335) = ( 0.0152176 -0.0152176 0.0152176), wk = 0.0018149 k( 336) = ( 0.0228264 -0.0228264 0.0228264), wk = 0.0018149 k( 337) = ( 0.0304352 -0.0304352 0.0304352), wk = 0.0018149 k( 338) = ( 0.0380440 -0.0380440 0.0380440), wk = 0.0018149 k( 339) = ( 0.0456528 -0.0456528 0.0456528), wk = 0.0018149 k( 340) = ( 0.0532616 -0.0532616 0.0532616), wk = 0.0018149 k( 341) = ( 0.0608704 -0.0608704 0.0608704), wk = 0.0018149 k( 342) = ( 0.0684792 -0.0684792 0.0684792), wk = 0.0018149 k( 343) = ( 0.0760880 -0.0760880 0.0760880), wk = 0.0018149 k( 344) = ( 0.0836968 -0.0836968 0.0836968), wk = 0.0018149 k( 345) = ( 0.0913056 -0.0913056 0.0913056), wk = 0.0018149 k( 346) = ( 0.0989144 -0.0989144 0.0989144), wk = 0.0018149 k( 347) = ( 0.1065232 -0.1065232 0.1065232), wk = 0.0018149 k( 348) = ( 0.1141320 -0.1141320 0.1141320), wk = 0.0018149 k( 349) = ( 0.1217408 -0.1217408 0.1217408), wk = 0.0018149 k( 350) = ( 0.1293496 -0.1293496 0.1293496), wk = 0.0018149 k( 351) = ( 0.1369584 -0.1369584 0.1369584), wk = 0.0018149 k( 352) = ( 0.1445672 -0.1445672 0.1445672), wk = 0.0018149 k( 353) = ( 0.1521760 -0.1521760 0.1521760), wk = 0.0018149 k( 354) = ( 0.1597848 -0.1597848 0.1597848), wk = 0.0018149 k( 355) = ( 0.1673936 -0.1673936 0.1673936), wk = 0.0018149 k( 356) = ( 0.1750024 -0.1750024 0.1750024), wk = 0.0018149 k( 357) = ( 0.1826112 -0.1826112 0.1826112), wk = 0.0018149 k( 358) = ( 0.1902200 -0.1902200 0.1902200), wk = 0.0018149 k( 359) = ( 0.1978288 -0.1978288 0.1978288), wk = 0.0018149 k( 360) = ( 0.2054376 -0.2054376 0.2054376), wk = 0.0018149 k( 361) = ( 0.2130464 -0.2130464 0.2130464), wk = 0.0018149 k( 362) = ( 0.2206552 -0.2206552 0.2206552), wk = 0.0018149 k( 363) = ( 0.2282640 -0.2282640 0.2282640), wk = 0.0018149 k( 364) = ( 0.2358728 -0.2358728 0.2358728), wk = 0.0018149 k( 365) = ( 0.2434816 -0.2434816 0.2434816), wk = 0.0018149 k( 366) = ( 0.2510904 -0.2510904 0.2510904), wk = 0.0018149 k( 367) = ( 0.2586992 -0.2586992 0.2586992), wk = 0.0018149 k( 368) = ( 0.2663080 -0.2663080 0.2663080), wk = 0.0018149 k( 369) = ( 0.2739168 -0.2739168 0.2739168), wk = 0.0018149 k( 370) = ( 0.2815256 -0.2815256 0.2815256), wk = 0.0018149 k( 371) = ( 0.2891344 -0.2891344 0.2891344), wk = 0.0018149 k( 372) = ( 0.2967432 -0.2967432 0.2967432), wk = 0.0018149 k( 373) = ( 0.3043520 -0.3043520 0.3043520), wk = 0.0018149 k( 374) = ( 0.3119608 -0.3119608 0.3119608), wk = 0.0018149 k( 375) = ( 0.3195696 -0.3195696 0.3195696), wk = 0.0018149 k( 376) = ( 0.3271784 -0.3271784 0.3271784), wk = 0.0018149 k( 377) = ( 0.3347872 -0.3347872 0.3347872), wk = 0.0018149 k( 378) = ( 0.3423960 -0.3423960 0.3423960), wk = 0.0018149 k( 379) = ( 0.3500048 -0.3500048 0.3500048), wk = 0.0018149 k( 380) = ( 0.3576136 -0.3576136 0.3576136), wk = 0.0018149 k( 381) = ( 0.3652224 -0.3652224 0.3652224), wk = 0.0018149 k( 382) = ( 0.3728312 -0.3728312 0.3728312), wk = 0.0018149 k( 383) = ( 0.3804400 -0.3804400 0.3804400), wk = 0.0018149 k( 384) = ( 0.3880488 -0.3880488 0.3880488), wk = 0.0018149 k( 385) = ( 0.3956576 -0.3956576 0.3956576), wk = 0.0018149 k( 386) = ( 0.4032664 -0.4032664 0.4032664), wk = 0.0018149 k( 387) = ( 0.4108752 -0.4108752 0.4108752), wk = 0.0018149 k( 388) = ( 0.4184840 -0.4184840 0.4184840), wk = 0.0018149 k( 389) = ( 0.4260928 -0.4260928 0.4260928), wk = 0.0018149 k( 390) = ( 0.4337016 -0.4337016 0.4337016), wk = 0.0018149 k( 391) = ( 0.4413104 -0.4413104 0.4413104), wk = 0.0018149 k( 392) = ( 0.4489192 -0.4489192 0.4489192), wk = 0.0018149 k( 393) = ( 0.4565280 -0.4565280 0.4565280), wk = 0.0018149 k( 394) = ( 0.4641368 -0.4641368 0.4641368), wk = 0.0018149 k( 395) = ( 0.4717456 -0.4717456 0.4717456), wk = 0.0018149 k( 396) = ( 0.4793544 -0.4793544 0.4793544), wk = 0.0018149 k( 397) = ( 0.4869632 -0.4869632 0.4869632), wk = 0.0018149 k( 398) = ( 0.4869632 -0.4869632 0.4869632), wk = 0.0018149 k( 399) = ( 0.4872529 -0.4761418 0.4761417), wk = 0.0018149 k( 400) = ( 0.4875426 -0.4653204 0.4653203), wk = 0.0018149 k( 401) = ( 0.4878323 -0.4544990 0.4544989), wk = 0.0018149 k( 402) = ( 0.4881220 -0.4436775 0.4436775), wk = 0.0018149 k( 403) = ( 0.4884117 -0.4328561 0.4328561), wk = 0.0018149 k( 404) = ( 0.4887014 -0.4220347 0.4220347), wk = 0.0018149 k( 405) = ( 0.4889911 -0.4112133 0.4112133), wk = 0.0018149 k( 406) = ( 0.4892808 -0.4003919 0.4003919), wk = 0.0018149 k( 407) = ( 0.4895705 -0.3895705 0.3895705), wk = 0.0018149 k( 408) = ( 0.4898602 -0.3787491 0.3787491), wk = 0.0018149 k( 409) = ( 0.4901499 -0.3679277 0.3679277), wk = 0.0018149 k( 410) = ( 0.4904397 -0.3571063 0.3571063), wk = 0.0018149 k( 411) = ( 0.4907294 -0.3462849 0.3462849), wk = 0.0018149 k( 412) = ( 0.4910191 -0.3354635 0.3354635), wk = 0.0018149 k( 413) = ( 0.4913088 -0.3246421 0.3246421), wk = 0.0018149 k( 414) = ( 0.4915985 -0.3138207 0.3138207), wk = 0.0018149 k( 415) = ( 0.4918882 -0.3029993 0.3029993), wk = 0.0018149 k( 416) = ( 0.4921779 -0.2921779 0.2921779), wk = 0.0018149 k( 417) = ( 0.4924676 -0.2813565 0.2813565), wk = 0.0018149 k( 418) = ( 0.4927573 -0.2705351 0.2705351), wk = 0.0018149 k( 419) = ( 0.4930470 -0.2597137 0.2597137), wk = 0.0018149 k( 420) = ( 0.4933367 -0.2488923 0.2488923), wk = 0.0018149 k( 421) = ( 0.4936264 -0.2380709 0.2380709), wk = 0.0018149 k( 422) = ( 0.4939161 -0.2272495 0.2272495), wk = 0.0018149 k( 423) = ( 0.4942059 -0.2164281 0.2164281), wk = 0.0018149 k( 424) = ( 0.4944956 -0.2056067 0.2056067), wk = 0.0018149 k( 425) = ( 0.4947853 -0.1947853 0.1947853), wk = 0.0018149 k( 426) = ( 0.4950750 -0.1839639 0.1839639), wk = 0.0018149 k( 427) = ( 0.4953647 -0.1731425 0.1731425), wk = 0.0018149 k( 428) = ( 0.4956544 -0.1623210 0.1623211), wk = 0.0018149 k( 429) = ( 0.4959441 -0.1514997 0.1514996), wk = 0.0018149 k( 430) = ( 0.4962338 -0.1406783 0.1406783), wk = 0.0018149 k( 431) = ( 0.4965235 -0.1298568 0.1298568), wk = 0.0018149 k( 432) = ( 0.4968132 -0.1190354 0.1190354), wk = 0.0018149 k( 433) = ( 0.4971029 -0.1082140 0.1082140), wk = 0.0018149 k( 434) = ( 0.4973926 -0.0973926 0.0973926), wk = 0.0018149 k( 435) = ( 0.4976823 -0.0865712 0.0865712), wk = 0.0018149 k( 436) = ( 0.4979720 -0.0757498 0.0757498), wk = 0.0018149 k( 437) = ( 0.4982618 -0.0649284 0.0649284), wk = 0.0018149 k( 438) = ( 0.4985515 -0.0541070 0.0541070), wk = 0.0018149 k( 439) = ( 0.4988412 -0.0432856 0.0432856), wk = 0.0018149 k( 440) = ( 0.4991309 -0.0324642 0.0324642), wk = 0.0018149 k( 441) = ( 0.4994206 -0.0216428 0.0216428), wk = 0.0018149 k( 442) = ( 0.4997103 -0.0108214 0.0108214), wk = 0.0018149 k( 443) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018149 k( 444) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018149 k( 445) = ( 0.4958333 0.0041667 0.0041667), wk = 0.0018149 k( 446) = ( 0.4916667 0.0083333 0.0083333), wk = 0.0018149 k( 447) = ( 0.4875000 0.0125000 0.0125000), wk = 0.0018149 k( 448) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0018149 k( 449) = ( 0.4791667 0.0208333 0.0208333), wk = 0.0018149 k( 450) = ( 0.4750000 0.0250000 0.0250000), wk = 0.0018149 k( 451) = ( 0.4708333 0.0291667 0.0291667), wk = 0.0018149 k( 452) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0018149 k( 453) = ( 0.4625000 0.0375000 0.0375000), wk = 0.0018149 k( 454) = ( 0.4583333 0.0416667 0.0416667), wk = 0.0018149 k( 455) = ( 0.4541667 0.0458333 0.0458333), wk = 0.0018149 k( 456) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0018149 k( 457) = ( 0.4458333 0.0541667 0.0541667), wk = 0.0018149 k( 458) = ( 0.4416667 0.0583333 0.0583333), wk = 0.0018149 k( 459) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0018149 k( 460) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0018149 k( 461) = ( 0.4291667 0.0708333 0.0708333), wk = 0.0018149 k( 462) = ( 0.4250000 0.0750000 0.0750000), wk = 0.0018149 k( 463) = ( 0.4208333 0.0791667 0.0791667), wk = 0.0018149 k( 464) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0018149 k( 465) = ( 0.4125000 0.0875000 0.0875000), wk = 0.0018149 k( 466) = ( 0.4083333 0.0916667 0.0916667), wk = 0.0018149 k( 467) = ( 0.4041667 0.0958333 0.0958333), wk = 0.0018149 k( 468) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0018149 k( 469) = ( 0.3958333 0.1041667 0.1041667), wk = 0.0018149 k( 470) = ( 0.3916667 0.1083333 0.1083333), wk = 0.0018149 k( 471) = ( 0.3875000 0.1125000 0.1125000), wk = 0.0018149 k( 472) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0018149 k( 473) = ( 0.3791667 0.1208333 0.1208333), wk = 0.0018149 k( 474) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0018149 k( 475) = ( 0.3708333 0.1291667 0.1291667), wk = 0.0018149 k( 476) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0018149 k( 477) = ( 0.3625000 0.1375000 0.1375000), wk = 0.0018149 k( 478) = ( 0.3583333 0.1416667 0.1416667), wk = 0.0018149 k( 479) = ( 0.3541667 0.1458333 0.1458333), wk = 0.0018149 k( 480) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0018149 k( 481) = ( 0.3458333 0.1541667 0.1541667), wk = 0.0018149 k( 482) = ( 0.3416667 0.1583333 0.1583333), wk = 0.0018149 k( 483) = ( 0.3375000 0.1625000 0.1625000), wk = 0.0018149 k( 484) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0018149 k( 485) = ( 0.3291667 0.1708333 0.1708333), wk = 0.0018149 k( 486) = ( 0.3250000 0.1750000 0.1750000), wk = 0.0018149 k( 487) = ( 0.3208333 0.1791667 0.1791667), wk = 0.0018149 k( 488) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0018149 k( 489) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0018149 k( 490) = ( 0.3083333 0.1916667 0.1916667), wk = 0.0018149 k( 491) = ( 0.3041667 0.1958333 0.1958333), wk = 0.0018149 k( 492) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0018149 k( 493) = ( 0.2958333 0.2041667 0.2041667), wk = 0.0018149 k( 494) = ( 0.2916667 0.2083333 0.2083333), wk = 0.0018149 k( 495) = ( 0.2875000 0.2125000 0.2125000), wk = 0.0018149 k( 496) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0018149 k( 497) = ( 0.2791667 0.2208333 0.2208333), wk = 0.0018149 k( 498) = ( 0.2750000 0.2250000 0.2250000), wk = 0.0018149 k( 499) = ( 0.2708333 0.2291667 0.2291667), wk = 0.0018149 k( 500) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0018149 k( 501) = ( 0.2625000 0.2375000 0.2375000), wk = 0.0018149 k( 502) = ( 0.2583333 0.2416667 0.2416667), wk = 0.0018149 k( 503) = ( 0.2541667 0.2458333 0.2458333), wk = 0.0018149 k( 504) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018149 k( 505) = ( 0.3086717 -0.3086717 0.6652546), wk = 0.0018149 k( 506) = ( 0.3128180 -0.3128180 0.6611083), wk = 0.0018149 k( 507) = ( 0.3169644 -0.3169644 0.6569620), wk = 0.0018149 k( 508) = ( 0.3211107 -0.3211107 0.6528156), wk = 0.0018149 k( 509) = ( 0.3252570 -0.3252570 0.6486693), wk = 0.0018149 k( 510) = ( 0.3294033 -0.3294033 0.6445230), wk = 0.0018149 k( 511) = ( 0.3335496 -0.3335496 0.6403767), wk = 0.0018149 k( 512) = ( 0.3376959 -0.3376959 0.6362304), wk = 0.0018149 k( 513) = ( 0.3418422 -0.3418422 0.6320841), wk = 0.0018149 k( 514) = ( 0.3459885 -0.3459885 0.6279378), wk = 0.0018149 k( 515) = ( 0.3501348 -0.3501348 0.6237915), wk = 0.0018149 k( 516) = ( 0.3542812 -0.3542812 0.6196452), wk = 0.0018149 k( 517) = ( 0.3584275 -0.3584275 0.6154988), wk = 0.0018149 k( 518) = ( 0.3625738 -0.3625738 0.6113525), wk = 0.0018149 k( 519) = ( 0.3667201 -0.3667201 0.6072062), wk = 0.0018149 k( 520) = ( 0.3708664 -0.3708664 0.6030599), wk = 0.0018149 k( 521) = ( 0.3750127 -0.3750127 0.5989136), wk = 0.0018149 k( 522) = ( 0.3791590 -0.3791590 0.5947673), wk = 0.0018149 k( 523) = ( 0.3833053 -0.3833053 0.5906210), wk = 0.0018149 k( 524) = ( 0.3874517 -0.3874517 0.5864747), wk = 0.0018149 k( 525) = ( 0.3915980 -0.3915980 0.5823283), wk = 0.0018149 k( 526) = ( 0.3957443 -0.3957443 0.5781820), wk = 0.0018149 k( 527) = ( 0.3998906 -0.3998906 0.5740357), wk = 0.0018149 k( 528) = ( 0.4040369 -0.4040369 0.5698894), wk = 0.0018149 k( 529) = ( 0.4081832 -0.4081832 0.5657431), wk = 0.0018149 k( 530) = ( 0.4123295 -0.4123295 0.5615968), wk = 0.0018149 k( 531) = ( 0.4164758 -0.4164759 0.5574505), wk = 0.0018149 k( 532) = ( 0.4206222 -0.4206222 0.5533042), wk = 0.0018149 k( 533) = ( 0.4247685 -0.4247685 0.5491578), wk = 0.0018149 k( 534) = ( 0.4289148 -0.4289148 0.5450115), wk = 0.0018149 k( 535) = ( 0.4330611 -0.4330611 0.5408652), wk = 0.0018149 k( 536) = ( 0.4372074 -0.4372074 0.5367189), wk = 0.0018149 k( 537) = ( 0.4413537 -0.4413537 0.5325726), wk = 0.0018149 k( 538) = ( 0.4455000 -0.4455000 0.5284263), wk = 0.0018149 k( 539) = ( 0.4496463 -0.4496463 0.5242800), wk = 0.0018149 k( 540) = ( 0.4537927 -0.4537927 0.5201337), wk = 0.0018149 k( 541) = ( 0.4579390 -0.4579390 0.5159873), wk = 0.0018149 k( 542) = ( 0.4620853 -0.4620853 0.5118410), wk = 0.0018149 k( 543) = ( 0.4662316 -0.4662316 0.5076947), wk = 0.0018149 k( 544) = ( 0.4703779 -0.4703779 0.5035484), wk = 0.0018149 k( 545) = ( 0.4745242 -0.4745242 0.4994021), wk = 0.0018149 k( 546) = ( 0.4786705 -0.4786705 0.4952558), wk = 0.0018149 k( 547) = ( 0.4828169 -0.4828169 0.4911095), wk = 0.0018149 k( 548) = ( 0.4869632 -0.4869632 0.4869632), wk = 0.0018149 k( 549) = ( 0.5130368 0.4869632 -0.4869632), wk = 0.0018149 k( 550) = ( 0.5065184 0.4934816 -0.4934816), wk = 0.0018149 k( 551) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018149 Dense grid: 13161 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 8299 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 70, 26) NL pseudopotentials 0.03 Mb ( 35, 48) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.00 Mb ( 411) G-vector shells 0.00 Mb ( 355) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 70, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./GaAs.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.3 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 3.9 secs Computing kpt #: 13 total cpu time spent up to now is 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.1 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.4 secs Computing kpt #: 17 total cpu time spent up to now is 4.6 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 4.9 secs Computing kpt #: 21 total cpu time spent up to now is 5.1 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.3 secs Computing kpt #: 24 total cpu time spent up to now is 5.4 secs Computing kpt #: 25 total cpu time spent up to now is 5.5 secs Computing kpt #: 26 total cpu time spent up to now is 5.6 secs Computing kpt #: 27 total cpu time spent up to now is 5.8 secs Computing kpt #: 28 total cpu time spent up to now is 5.9 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.1 secs Computing kpt #: 31 total cpu time spent up to now is 6.2 secs Computing kpt #: 32 total cpu time spent up to now is 6.3 secs Computing kpt #: 33 total cpu time spent up to now is 6.5 secs Computing kpt #: 34 total cpu time spent up to now is 6.6 secs Computing kpt #: 35 total cpu time spent up to now is 6.7 secs Computing kpt #: 36 total cpu time spent up to now is 6.8 secs Computing kpt #: 37 total cpu time spent up to now is 6.9 secs Computing kpt #: 38 total cpu time spent up to now is 7.1 secs Computing kpt #: 39 total cpu time spent up to now is 7.2 secs Computing kpt #: 40 total cpu time spent up to now is 7.3 secs Computing kpt #: 41 total cpu time spent up to now is 7.5 secs Computing kpt #: 42 total cpu time spent up to now is 7.6 secs Computing kpt #: 43 total cpu time spent up to now is 7.7 secs Computing kpt #: 44 total cpu time spent up to now is 7.8 secs Computing kpt #: 45 total cpu time spent up to now is 7.9 secs Computing kpt #: 46 total cpu time spent up to now is 8.1 secs Computing kpt #: 47 total cpu time spent up to now is 8.2 secs Computing kpt #: 48 total cpu time spent up to now is 8.3 secs Computing kpt #: 49 total cpu time spent up to now is 8.4 secs Computing kpt #: 50 total cpu time spent up to now is 8.5 secs Computing kpt #: 51 total cpu time spent up to now is 8.6 secs Computing kpt #: 52 total cpu time spent up to now is 8.7 secs Computing kpt #: 53 total cpu time spent up to now is 8.8 secs Computing kpt #: 54 total cpu time spent up to now is 8.9 secs Computing kpt #: 55 total cpu time spent up to now is 9.1 secs Computing kpt #: 56 total cpu time spent up to now is 9.2 secs Computing kpt #: 57 total cpu time spent up to now is 9.3 secs Computing kpt #: 58 total cpu time spent up to now is 9.4 secs Computing kpt #: 59 total cpu time spent up to now is 9.5 secs Computing kpt #: 60 total cpu time spent up to now is 9.6 secs Computing kpt #: 61 total cpu time spent up to now is 9.7 secs Computing kpt #: 62 total cpu time spent up to now is 9.8 secs Computing kpt #: 63 total cpu time spent up to now is 9.9 secs Computing kpt #: 64 total cpu time spent up to now is 10.0 secs Computing kpt #: 65 total cpu time spent up to now is 10.1 secs Computing kpt #: 66 total cpu time spent up to now is 10.2 secs Computing kpt #: 67 total cpu time spent up to now is 10.4 secs Computing kpt #: 68 total cpu time spent up to now is 10.5 secs Computing kpt #: 69 total cpu time spent up to now is 10.6 secs Computing kpt #: 70 total cpu time spent up to now is 10.7 secs Computing kpt #: 71 total cpu time spent up to now is 10.8 secs Computing kpt #: 72 total cpu time spent up to now is 10.9 secs Computing kpt #: 73 total cpu time spent up to now is 11.0 secs Computing kpt #: 74 total cpu time spent up to now is 11.1 secs Computing kpt #: 75 total cpu time spent up to now is 11.2 secs Computing kpt #: 76 total cpu time spent up to now is 11.4 secs Computing kpt #: 77 total cpu time spent up to now is 11.5 secs Computing kpt #: 78 total cpu time spent up to now is 11.6 secs Computing kpt #: 79 total cpu time spent up to now is 11.7 secs Computing kpt #: 80 total cpu time spent up to now is 11.8 secs Computing kpt #: 81 total cpu time spent up to now is 11.9 secs Computing kpt #: 82 total cpu time spent up to now is 12.0 secs Computing kpt #: 83 total cpu time spent up to now is 12.1 secs Computing kpt #: 84 total cpu time spent up to now is 12.2 secs Computing kpt #: 85 total cpu time spent up to now is 12.3 secs Computing kpt #: 86 total cpu time spent up to now is 12.5 secs Computing kpt #: 87 total cpu time spent up to now is 12.6 secs Computing kpt #: 88 total cpu time spent up to now is 12.7 secs Computing kpt #: 89 total cpu time spent up to now is 12.8 secs Computing kpt #: 90 total cpu time spent up to now is 12.9 secs Computing kpt #: 91 total cpu time spent up to now is 13.0 secs Computing kpt #: 92 total cpu time spent up to now is 13.1 secs Computing kpt #: 93 total cpu time spent up to now is 13.2 secs Computing kpt #: 94 total cpu time spent up to now is 13.3 secs Computing kpt #: 95 total cpu time spent up to now is 13.5 secs Computing kpt #: 96 total cpu time spent up to now is 13.6 secs Computing kpt #: 97 total cpu time spent up to now is 13.7 secs Computing kpt #: 98 total cpu time spent up to now is 13.8 secs Computing kpt #: 99 total cpu time spent up to now is 13.9 secs Computing kpt #: 100 total cpu time spent up to now is 14.0 secs Computing kpt #: 101 total cpu time spent up to now is 14.1 secs Computing kpt #: 102 total cpu time spent up to now is 14.2 secs Computing kpt #: 103 total cpu time spent up to now is 14.3 secs Computing kpt #: 104 total cpu time spent up to now is 14.4 secs Computing kpt #: 105 total cpu time spent up to now is 14.5 secs Computing kpt #: 106 total cpu time spent up to now is 14.6 secs Computing kpt #: 107 total cpu time spent up to now is 14.8 secs Computing kpt #: 108 total cpu time spent up to now is 14.9 secs Computing kpt #: 109 total cpu time spent up to now is 15.0 secs Computing kpt #: 110 total cpu time spent up to now is 15.1 secs Computing kpt #: 111 total cpu time spent up to now is 15.2 secs Computing kpt #: 112 total cpu time spent up to now is 15.3 secs Computing kpt #: 113 total cpu time spent up to now is 15.4 secs Computing kpt #: 114 total cpu time spent up to now is 15.5 secs Computing kpt #: 115 total cpu time spent up to now is 15.6 secs Computing kpt #: 116 total cpu time spent up to now is 15.8 secs Computing kpt #: 117 total cpu time spent up to now is 15.9 secs Computing kpt #: 118 total cpu time spent up to now is 16.0 secs Computing kpt #: 119 total cpu time spent up to now is 16.1 secs Computing kpt #: 120 total cpu time spent up to now is 16.2 secs Computing kpt #: 121 total cpu time spent up to now is 16.3 secs Computing kpt #: 122 total cpu time spent up to now is 16.5 secs Computing kpt #: 123 total cpu time spent up to now is 16.6 secs Computing kpt #: 124 total cpu time spent up to now is 16.7 secs Computing kpt #: 125 total cpu time spent up to now is 16.8 secs Computing kpt #: 126 total cpu time spent up to now is 17.0 secs Computing kpt #: 127 total cpu time spent up to now is 17.1 secs Computing kpt #: 128 total cpu time spent up to now is 17.2 secs Computing kpt #: 129 total cpu time spent up to now is 17.4 secs Computing kpt #: 130 total cpu time spent up to now is 17.5 secs Computing kpt #: 131 total cpu time spent up to now is 17.6 secs Computing kpt #: 132 total cpu time spent up to now is 17.8 secs Computing kpt #: 133 total cpu time spent up to now is 17.9 secs Computing kpt #: 134 total cpu time spent up to now is 18.1 secs Computing kpt #: 135 total cpu time spent up to now is 18.2 secs Computing kpt #: 136 total cpu time spent up to now is 18.4 secs Computing kpt #: 137 total cpu time spent up to now is 18.5 secs Computing kpt #: 138 total cpu time spent up to now is 18.6 secs Computing kpt #: 139 total cpu time spent up to now is 18.8 secs Computing kpt #: 140 total cpu time spent up to now is 18.9 secs Computing kpt #: 141 total cpu time spent up to now is 19.1 secs Computing kpt #: 142 total cpu time spent up to now is 19.2 secs Computing kpt #: 143 total cpu time spent up to now is 19.4 secs Computing kpt #: 144 total cpu time spent up to now is 19.5 secs Computing kpt #: 145 total cpu time spent up to now is 19.6 secs Computing kpt #: 146 total cpu time spent up to now is 19.8 secs Computing kpt #: 147 total cpu time spent up to now is 19.9 secs Computing kpt #: 148 total cpu time spent up to now is 20.0 secs Computing kpt #: 149 total cpu time spent up to now is 20.1 secs Computing kpt #: 150 total cpu time spent up to now is 20.2 secs Computing kpt #: 151 total cpu time spent up to now is 20.3 secs Computing kpt #: 152 total cpu time spent up to now is 20.4 secs Computing kpt #: 153 total cpu time spent up to now is 20.5 secs Computing kpt #: 154 total cpu time spent up to now is 20.7 secs Computing kpt #: 155 total cpu time spent up to now is 20.8 secs Computing kpt #: 156 total cpu time spent up to now is 20.9 secs Computing kpt #: 157 total cpu time spent up to now is 21.0 secs Computing kpt #: 158 total cpu time spent up to now is 21.1 secs Computing kpt #: 159 total cpu time spent up to now is 21.2 secs Computing kpt #: 160 total cpu time spent up to now is 21.3 secs Computing kpt #: 161 total cpu time spent up to now is 21.4 secs Computing kpt #: 162 total cpu time spent up to now is 21.5 secs Computing kpt #: 163 total cpu time spent up to now is 21.6 secs Computing kpt #: 164 total cpu time spent up to now is 21.7 secs Computing kpt #: 165 total cpu time spent up to now is 21.9 secs Computing kpt #: 166 total cpu time spent up to now is 22.0 secs Computing kpt #: 167 total cpu time spent up to now is 22.1 secs Computing kpt #: 168 total cpu time spent up to now is 22.2 secs Computing kpt #: 169 total cpu time spent up to now is 22.3 secs Computing kpt #: 170 total cpu time spent up to now is 22.4 secs Computing kpt #: 171 total cpu time spent up to now is 22.5 secs Computing kpt #: 172 total cpu time spent up to now is 22.6 secs Computing kpt #: 173 total cpu time spent up to now is 22.7 secs Computing kpt #: 174 total cpu time spent up to now is 22.8 secs Computing kpt #: 175 total cpu time spent up to now is 22.9 secs Computing kpt #: 176 total cpu time spent up to now is 23.0 secs Computing kpt #: 177 total cpu time spent up to now is 23.2 secs Computing kpt #: 178 total cpu time spent up to now is 23.3 secs Computing kpt #: 179 total cpu time spent up to now is 23.4 secs Computing kpt #: 180 total cpu time spent up to now is 23.5 secs Computing kpt #: 181 total cpu time spent up to now is 23.6 secs Computing kpt #: 182 total cpu time spent up to now is 23.7 secs Computing kpt #: 183 total cpu time spent up to now is 23.8 secs Computing kpt #: 184 total cpu time spent up to now is 23.9 secs Computing kpt #: 185 total cpu time spent up to now is 24.0 secs Computing kpt #: 186 total cpu time spent up to now is 24.1 secs Computing kpt #: 187 total cpu time spent up to now is 24.2 secs Computing kpt #: 188 total cpu time spent up to now is 24.3 secs Computing kpt #: 189 total cpu time spent up to now is 24.4 secs Computing kpt #: 190 total cpu time spent up to now is 24.5 secs Computing kpt #: 191 total cpu time spent up to now is 24.6 secs Computing kpt #: 192 total cpu time spent up to now is 24.7 secs Computing kpt #: 193 total cpu time spent up to now is 24.8 secs Computing kpt #: 194 total cpu time spent up to now is 24.9 secs Computing kpt #: 195 total cpu time spent up to now is 25.0 secs Computing kpt #: 196 total cpu time spent up to now is 25.1 secs Computing kpt #: 197 total cpu time spent up to now is 25.3 secs Computing kpt #: 198 total cpu time spent up to now is 25.4 secs Computing kpt #: 199 total cpu time spent up to now is 25.5 secs Computing kpt #: 200 total cpu time spent up to now is 25.6 secs Computing kpt #: 201 total cpu time spent up to now is 25.7 secs Computing kpt #: 202 total cpu time spent up to now is 25.9 secs Computing kpt #: 203 total cpu time spent up to now is 26.0 secs Computing kpt #: 204 total cpu time spent up to now is 26.1 secs Computing kpt #: 205 total cpu time spent up to now is 26.2 secs Computing kpt #: 206 total cpu time spent up to now is 26.3 secs Computing kpt #: 207 total cpu time spent up to now is 26.4 secs Computing kpt #: 208 total cpu time spent up to now is 26.5 secs Computing kpt #: 209 total cpu time spent up to now is 26.7 secs Computing kpt #: 210 total cpu time spent up to now is 26.8 secs Computing kpt #: 211 total cpu time spent up to now is 26.9 secs Computing kpt #: 212 total cpu time spent up to now is 27.0 secs Computing kpt #: 213 total cpu time spent up to now is 27.1 secs Computing kpt #: 214 total cpu time spent up 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Computing kpt #: 230 total cpu time spent up to now is 28.9 secs Computing kpt #: 231 total cpu time spent up to now is 29.1 secs Computing kpt #: 232 total cpu time spent up to now is 29.2 secs Computing kpt #: 233 total cpu time spent up to now is 29.3 secs Computing kpt #: 234 total cpu time spent up to now is 29.4 secs Computing kpt #: 235 total cpu time spent up to now is 29.5 secs Computing kpt #: 236 total cpu time spent up to now is 29.6 secs Computing kpt #: 237 total cpu time spent up to now is 29.7 secs Computing kpt #: 238 total cpu time spent up to now is 29.8 secs Computing kpt #: 239 total cpu time spent up to now is 29.9 secs Computing kpt #: 240 total cpu time spent up to now is 30.1 secs Computing kpt #: 241 total cpu time spent up to now is 30.2 secs Computing kpt #: 242 total cpu time spent up to now is 30.3 secs Computing kpt #: 243 total cpu time spent up to now is 30.4 secs Computing kpt #: 244 total cpu time spent up to now is 30.5 secs Computing kpt #: 245 total cpu time spent up to now is 30.6 secs Computing kpt #: 246 total cpu time spent up to now is 30.7 secs Computing kpt #: 247 total cpu time spent up to now is 30.9 secs Computing kpt #: 248 total cpu time spent up to now is 31.0 secs Computing kpt #: 249 total cpu time spent up to now is 31.1 secs Computing kpt #: 250 total cpu time spent up to now is 31.2 secs Computing kpt #: 251 total cpu time spent up to now is 31.3 secs Computing kpt #: 252 total cpu time spent up to now is 31.4 secs Computing kpt #: 253 total cpu time spent up to now is 31.5 secs Computing kpt #: 254 total cpu time spent up to now is 31.7 secs Computing kpt #: 255 total cpu time spent up to now is 31.8 secs Computing kpt #: 256 total cpu time spent up to now is 31.9 secs Computing kpt #: 257 total cpu time spent up to now is 32.0 secs Computing kpt #: 258 total cpu time spent up to now is 32.1 secs Computing kpt #: 259 total cpu time spent up to now is 32.2 secs Computing kpt #: 260 total cpu time spent up 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Computing kpt #: 276 total cpu time spent up to now is 34.1 secs Computing kpt #: 277 total cpu time spent up to now is 34.2 secs Computing kpt #: 278 total cpu time spent up to now is 34.3 secs Computing kpt #: 279 total cpu time spent up to now is 34.4 secs Computing kpt #: 280 total cpu time spent up to now is 34.5 secs Computing kpt #: 281 total cpu time spent up to now is 34.7 secs Computing kpt #: 282 total cpu time spent up to now is 34.8 secs Computing kpt #: 283 total cpu time spent up to now is 34.9 secs Computing kpt #: 284 total cpu time spent up to now is 35.0 secs Computing kpt #: 285 total cpu time spent up to now is 35.1 secs Computing kpt #: 286 total cpu time spent up to now is 35.2 secs Computing kpt #: 287 total cpu time spent up to now is 35.4 secs Computing kpt #: 288 total cpu time spent up to now is 35.5 secs Computing kpt #: 289 total cpu time spent up to now is 35.6 secs Computing kpt #: 290 total cpu time spent up to now is 35.7 secs Computing kpt #: 291 total cpu time spent up to now is 35.8 secs Computing kpt #: 292 total cpu time spent up to now is 35.9 secs Computing kpt #: 293 total cpu time spent up to now is 36.0 secs Computing kpt #: 294 total cpu time spent up to now is 36.2 secs Computing kpt #: 295 total cpu time spent up to now is 36.3 secs Computing kpt #: 296 total cpu time spent up to now is 36.4 secs Computing kpt #: 297 total cpu time spent up to now is 36.5 secs Computing kpt #: 298 total cpu time spent up to now is 36.6 secs Computing kpt #: 299 total cpu time spent up to now is 36.7 secs Computing kpt #: 300 total cpu time spent up to now is 36.8 secs Computing kpt #: 301 total cpu time spent up to now is 36.9 secs Computing kpt #: 302 total cpu time spent up to now is 37.1 secs Computing kpt #: 303 total cpu time spent up to now is 37.2 secs Computing kpt #: 304 total cpu time spent up to now is 37.4 secs Computing kpt #: 305 total cpu time spent up to now is 37.5 secs Computing kpt #: 306 total cpu time spent up 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Computing kpt #: 322 total cpu time spent up to now is 39.5 secs Computing kpt #: 323 total cpu time spent up to now is 39.6 secs Computing kpt #: 324 total cpu time spent up to now is 39.7 secs Computing kpt #: 325 total cpu time spent up to now is 39.8 secs Computing kpt #: 326 total cpu time spent up to now is 39.9 secs Computing kpt #: 327 total cpu time spent up to now is 40.0 secs Computing kpt #: 328 total cpu time spent up to now is 40.1 secs Computing kpt #: 329 total cpu time spent up to now is 40.2 secs Computing kpt #: 330 total cpu time spent up to now is 40.4 secs Computing kpt #: 331 total cpu time spent up to now is 40.5 secs Computing kpt #: 332 total cpu time spent up to now is 40.6 secs Computing kpt #: 333 total cpu time spent up to now is 40.7 secs Computing kpt #: 334 total cpu time spent up to now is 40.8 secs Computing kpt #: 335 total cpu time spent up to now is 40.9 secs Computing kpt #: 336 total cpu time spent up to now is 41.0 secs Computing kpt #: 337 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Computing kpt #: 368 total cpu time spent up to now is 44.8 secs Computing kpt #: 369 total cpu time spent up to now is 44.9 secs Computing kpt #: 370 total cpu time spent up to now is 45.0 secs Computing kpt #: 371 total cpu time spent up to now is 45.1 secs Computing kpt #: 372 total cpu time spent up to now is 45.3 secs Computing kpt #: 373 total cpu time spent up to now is 45.4 secs Computing kpt #: 374 total cpu time spent up to now is 45.5 secs Computing kpt #: 375 total cpu time spent up to now is 45.6 secs Computing kpt #: 376 total cpu time spent up to now is 45.7 secs Computing kpt #: 377 total cpu time spent up to now is 45.8 secs Computing kpt #: 378 total cpu time spent up to now is 45.9 secs Computing kpt #: 379 total cpu time spent up to now is 46.0 secs Computing kpt #: 380 total cpu time spent up to now is 46.2 secs Computing kpt #: 381 total cpu time spent up to now is 46.3 secs Computing kpt #: 382 total cpu time spent up to now is 46.4 secs Computing kpt #: 383 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Computing kpt #: 460 total cpu time spent up to now is 55.6 secs Computing kpt #: 461 total cpu time spent up to now is 55.7 secs Computing kpt #: 462 total cpu time spent up to now is 55.8 secs Computing kpt #: 463 total cpu time spent up to now is 55.9 secs Computing kpt #: 464 total cpu time spent up to now is 56.0 secs Computing kpt #: 465 total cpu time spent up to now is 56.1 secs Computing kpt #: 466 total cpu time spent up to now is 56.2 secs Computing kpt #: 467 total cpu time spent up to now is 56.3 secs Computing kpt #: 468 total cpu time spent up to now is 56.4 secs Computing kpt #: 469 total cpu time spent up to now is 56.5 secs Computing kpt #: 470 total cpu time spent up to now is 56.6 secs Computing kpt #: 471 total cpu time spent up to now is 56.7 secs Computing kpt #: 472 total cpu time spent up to now is 56.8 secs Computing kpt #: 473 total cpu time spent up to now is 56.9 secs Computing kpt #: 474 total cpu time spent up to now is 57.0 secs Computing kpt #: 475 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Computing kpt #: 506 total cpu time spent up to now is 60.4 secs Computing kpt #: 507 total cpu time spent up to now is 60.5 secs Computing kpt #: 508 total cpu time spent up to now is 60.6 secs Computing kpt #: 509 total cpu time spent up to now is 60.8 secs Computing kpt #: 510 total cpu time spent up to now is 60.9 secs Computing kpt #: 511 total cpu time spent up to now is 61.0 secs Computing kpt #: 512 total cpu time spent up to now is 61.1 secs Computing kpt #: 513 total cpu time spent up to now is 61.2 secs Computing kpt #: 514 total cpu time spent up to now is 61.3 secs Computing kpt #: 515 total cpu time spent up to now is 61.4 secs Computing kpt #: 516 total cpu time spent up to now is 61.5 secs Computing kpt #: 517 total cpu time spent up to now is 61.7 secs Computing kpt #: 518 total cpu time spent up to now is 61.8 secs Computing kpt #: 519 total cpu time spent up to now is 61.9 secs Computing kpt #: 520 total cpu time spent up to now is 62.0 secs Computing kpt #: 521 total cpu time spent up to now is 62.1 secs Computing kpt #: 522 total cpu time spent up to now is 62.2 secs Computing kpt #: 523 total cpu time spent up to now is 62.3 secs Computing kpt #: 524 total cpu time spent up to now is 62.4 secs Computing kpt #: 525 total cpu time spent up to now is 62.6 secs Computing kpt #: 526 total cpu time spent up to now is 62.7 secs Computing kpt #: 527 total cpu time spent up to now is 62.8 secs Computing kpt #: 528 total cpu time spent up to now is 62.9 secs Computing kpt #: 529 total cpu time spent up to now is 63.0 secs Computing kpt #: 530 total cpu time spent up to now is 63.1 secs Computing kpt #: 531 total cpu time spent up to now is 63.3 secs Computing kpt #: 532 total cpu time spent up to now is 63.4 secs Computing kpt #: 533 total cpu time spent up to now is 63.5 secs Computing kpt #: 534 total cpu time spent up to now is 63.6 secs Computing kpt #: 535 total cpu time spent up to now is 63.7 secs Computing kpt #: 536 total cpu time spent up to now is 63.9 secs Computing kpt #: 537 total cpu time spent up to now is 64.0 secs Computing kpt #: 538 total cpu time spent up to now is 64.1 secs Computing kpt #: 539 total cpu time spent up to now is 64.2 secs Computing kpt #: 540 total cpu time spent up to now is 64.3 secs Computing kpt #: 541 total cpu time spent up to now is 64.5 secs Computing kpt #: 542 total cpu time spent up to now is 64.6 secs Computing kpt #: 543 total cpu time spent up to now is 64.7 secs Computing kpt #: 544 total cpu time spent up to now is 64.8 secs Computing kpt #: 545 total cpu time spent up to now is 64.9 secs Computing kpt #: 546 total cpu time spent up to now is 65.0 secs Computing kpt #: 547 total cpu time spent up to now is 65.1 secs Computing kpt #: 548 total cpu time spent up to now is 65.2 secs Computing kpt #: 549 total cpu time spent up to now is 65.4 secs Computing kpt #: 550 total cpu time spent up to now is 65.5 secs Computing kpt #: 551 total cpu time spent up to now is 65.6 secs ethr = 5.56E-11, avg # of iterations = 14.5 total cpu time spent up to now is 65.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1049 PWs) bands (ev): -3.4521 -3.4521 -3.2085 -3.2085 -3.1125 -3.1125 -2.7673 -2.7673 -2.7439 -2.7439 -2.6161 -2.6161 8.9837 8.9837 9.1002 9.1002 9.1904 9.1904 15.3480 15.3480 19.1236 19.1236 21.2778 21.2778 21.6922 21.6922 k =-0.0042 0.0038 0.0102 ( 1051 PWs) bands (ev): -3.4515 -3.4515 -3.2085 -3.2085 -3.1116 -3.1116 -2.7673 -2.7673 -2.7439 -2.7439 -2.6163 -2.6163 8.9851 8.9851 9.1015 9.1015 9.1918 9.1918 15.3494 15.3494 19.1052 19.1052 21.2784 21.2784 21.6898 21.6898 k =-0.0084 0.0075 0.0204 ( 1049 PWs) bands (ev): -3.4499 -3.4498 -3.2082 -3.2082 -3.1086 -3.1086 -2.7671 -2.7671 -2.7437 -2.7437 -2.6167 -2.6167 8.9893 8.9894 9.1055 9.1055 9.1960 9.1960 15.3535 15.3535 19.0505 19.0505 21.2801 21.2801 21.6826 21.6826 k =-0.0125 0.0113 0.0307 ( 1045 PWs) bands (ev): -3.4470 -3.4470 -3.2078 -3.2078 -3.1037 -3.1037 -2.7669 -2.7669 -2.7434 -2.7434 -2.6175 -2.6175 8.9963 8.9964 9.1122 9.1122 9.2030 9.2030 15.3605 15.3605 18.9618 18.9618 21.2827 21.2827 21.6706 21.6706 k =-0.0167 0.0150 0.0409 ( 1045 PWs) bands (ev): -3.4432 -3.4432 -3.2074 -3.2073 -3.0968 -3.0967 -2.7667 -2.7667 -2.7429 -2.7429 -2.6185 -2.6185 9.0061 9.0062 9.1216 9.1216 9.2129 9.2129 15.3702 15.3702 18.8420 18.8420 21.2858 21.2859 21.6539 21.6539 k =-0.0209 0.0188 0.0511 ( 1045 PWs) bands (ev): -3.4384 -3.4384 -3.2068 -3.2068 -3.0878 -3.0877 -2.7664 -2.7664 -2.7422 -2.7421 -2.6199 -2.6199 9.0187 9.0187 9.1336 9.1337 9.2255 9.2255 15.3827 15.3827 18.6947 18.6947 21.2886 21.2887 21.6328 21.6328 k =-0.0251 0.0226 0.0613 ( 1045 PWs) bands (ev): -3.4327 -3.4327 -3.2062 -3.2062 -3.0767 -3.0766 -2.7661 -2.7660 -2.7411 -2.7411 -2.6217 -2.6217 9.0340 9.0340 9.1484 9.1485 9.2409 9.2409 15.3981 15.3981 18.5238 18.5238 21.2897 21.2897 21.6079 21.6080 k =-0.0292 0.0263 0.0715 ( 1049 PWs) bands (ev): -3.4263 -3.4263 -3.2057 -3.2056 -3.0635 -3.0635 -2.7657 -2.7657 -2.7396 -2.7395 -2.6237 -2.6237 9.0519 9.0520 9.1658 9.1659 9.2592 9.2592 15.4161 15.4161 18.3329 18.3329 21.2864 21.2864 21.5811 21.5811 k =-0.0334 0.0301 0.0817 ( 1049 PWs) bands (ev): -3.4191 -3.4191 -3.2051 -3.2050 -3.0484 -3.0483 -2.7654 -2.7653 -2.7373 -2.7373 -2.6259 -2.6259 9.0725 9.0726 9.1860 9.1861 9.2803 9.2803 15.4370 15.4370 18.1254 18.1254 21.2747 21.2747 21.5552 21.5553 k =-0.0376 0.0338 0.0920 ( 1049 PWs) bands (ev): -3.4114 -3.4114 -3.2046 -3.2045 -3.0313 -3.0313 -2.7650 -2.7649 -2.7342 -2.7341 -2.6284 -2.6283 9.0956 9.0958 9.2088 9.2089 9.3042 9.3042 15.4606 15.4606 17.9042 17.9042 21.2490 21.2491 21.5347 21.5348 k =-0.0418 0.0376 0.1022 ( 1053 PWs) bands (ev): -3.4032 -3.4032 -3.2041 -3.2040 -3.0126 -3.0125 -2.7647 -2.7646 -2.7299 -2.7298 -2.6310 -2.6310 9.1213 9.1214 9.2343 9.2345 9.3310 9.3310 15.4870 15.4870 17.6719 17.6719 21.2045 21.2046 21.5232 21.5232 k =-0.0460 0.0414 0.1124 ( 1051 PWs) bands (ev): -3.3946 -3.3946 -3.2036 -3.2035 -2.9926 -2.9925 -2.7643 -2.7642 -2.7239 -2.7239 -2.6338 -2.6338 9.1494 9.1495 9.2626 9.2627 9.3607 9.3607 15.5162 15.5162 17.4307 17.4307 21.1396 21.1397 21.5208 21.5208 k =-0.0501 0.0451 0.1226 ( 1047 PWs) bands (ev): -3.3857 -3.3857 -3.2031 -3.2030 -2.9718 -2.9717 -2.7639 -2.7638 -2.7160 -2.7159 -2.6366 -2.6365 9.1799 9.1800 9.2935 9.2936 9.3933 9.3933 15.5483 15.5483 17.1824 17.1824 21.0552 21.0553 21.5249 21.5250 k =-0.0543 0.0489 0.1328 ( 1043 PWs) bands (ev): -3.3767 -3.3766 -3.2027 -3.2026 -2.9508 -2.9508 -2.7635 -2.7634 -2.7055 -2.7054 -2.6390 -2.6390 9.2126 9.2128 9.3271 9.3272 9.4288 9.4288 15.5831 15.5831 16.9285 16.9285 20.9531 20.9531 21.5321 21.5322 k =-0.0585 0.0526 0.1430 ( 1039 PWs) bands (ev): -3.3674 -3.3673 -3.2023 -3.2022 -2.9307 -2.9306 -2.7630 -2.7629 -2.6923 -2.6922 -2.6405 -2.6405 9.2475 9.2477 9.3634 9.3636 9.4673 9.4673 15.6207 15.6207 16.6703 16.6703 20.8347 20.8347 21.5382 21.5383 k =-0.0627 0.0564 0.1533 ( 1039 PWs) bands (ev): -3.3581 -3.3581 -3.2019 -3.2018 -2.9121 -2.9120 -2.7625 -2.7624 -2.6782 -2.6781 -2.6384 -2.6383 9.2846 9.2847 9.4023 9.4025 9.5087 9.5087 15.6611 15.6611 16.4088 16.4088 20.7012 20.7012 21.5353 21.5354 k =-0.0668 0.0602 0.1635 ( 1043 PWs) bands (ev): -3.3488 -3.3488 -3.2016 -3.2015 -2.8959 -2.8958 -2.7619 -2.7618 -2.6693 -2.6692 -2.6258 -2.6256 9.3235 9.3237 9.4439 9.4440 9.5531 9.5531 15.7042 15.7042 16.1450 16.1450 20.5536 20.5537 21.4531 21.4533 k =-0.0710 0.0639 0.1737 ( 1043 PWs) bands (ev): -3.3396 -3.3395 -3.2013 -3.2013 -2.8823 -2.8823 -2.7612 -2.7611 -2.6681 -2.6680 -2.5996 -2.5995 9.3644 9.3645 9.4881 9.4882 9.6005 9.6006 15.7501 15.7501 15.8796 15.8796 20.3931 20.3932 21.2042 21.2043 k =-0.0752 0.0677 0.1839 ( 1043 PWs) bands (ev): -3.3304 -3.3304 -3.2011 -3.2010 -2.8714 -2.8713 -2.7604 -2.7603 -2.6705 -2.6704 -2.5641 -2.5640 9.4070 9.4071 9.5349 9.5350 9.6510 9.6510 15.6130 15.6130 15.7991 15.7991 20.2208 20.2209 20.9317 20.9317 k =-0.0794 0.0714 0.1941 ( 1043 PWs) bands (ev): -3.3214 -3.3214 -3.2009 -3.2008 -2.8628 -2.8627 -2.7596 -2.7595 -2.6742 -2.6741 -2.5218 -2.5217 9.4513 9.4514 9.5842 9.5843 9.7044 9.7045 15.3462 15.3462 15.8506 15.8506 20.0380 20.0380 20.6552 20.6553 k =-0.0836 0.0752 0.2044 ( 1041 PWs) bands (ev): -3.3126 -3.3125 -3.2007 -3.2006 -2.8560 -2.8559 -2.7586 -2.7585 -2.6785 -2.6785 -2.4738 -2.4737 9.4970 9.4971 9.6361 9.6362 9.7609 9.7610 15.0795 15.0795 15.9050 15.9050 19.8457 19.8458 20.3773 20.3774 k =-0.0877 0.0790 0.2146 ( 1045 PWs) bands (ev): -3.3040 -3.3039 -3.2006 -3.2005 -2.8506 -2.8506 -2.7576 -2.7575 -2.6833 -2.6832 -2.4208 -2.4207 9.5441 9.5442 9.6905 9.6906 9.8203 9.8204 14.8132 14.8132 15.9622 15.9622 19.6453 19.6454 20.0991 20.0992 k =-0.0919 0.0827 0.2248 ( 1041 PWs) bands (ev): -3.2957 -3.2956 -3.2004 -3.2003 -2.8462 -2.8462 -2.7565 -2.7564 -2.6882 -2.6882 -2.3632 -2.3632 9.5924 9.5925 9.7475 9.7476 9.8827 9.8828 14.5478 14.5479 16.0222 16.0222 19.4379 19.4380 19.8213 19.8214 k =-0.0961 0.0865 0.2350 ( 1041 PWs) bands (ev): -3.2877 -3.2876 -3.2004 -3.2003 -2.8425 -2.8425 -2.7554 -2.7553 -2.6934 -2.6933 -2.3015 -2.3015 9.6418 9.6419 9.8069 9.8070 9.9480 9.9481 14.2836 14.2837 16.0851 16.0851 19.2242 19.2244 19.5444 19.5446 k =-0.1003 0.0902 0.2452 ( 1041 PWs) bands (ev): -3.2800 -3.2799 -3.2004 -3.2002 -2.8392 -2.8392 -2.7542 -2.7541 -2.6987 -2.6986 -2.2359 -2.2359 9.6920 9.6921 9.8687 9.8688 10.0160 10.0162 14.0210 14.0210 16.1507 16.1507 19.0052 19.0054 19.2692 19.2694 k =-0.1045 0.0940 0.2554 ( 1041 PWs) bands (ev): -3.2728 -3.2726 -3.2004 -3.2003 -2.8362 -2.8361 -2.7529 -2.7528 -2.7040 -2.7040 -2.1666 -2.1666 9.7429 9.7430 9.9329 9.9330 10.0869 10.0870 13.7602 13.7602 16.2192 16.2192 18.7812 18.7815 18.9964 18.9967 k =-0.1086 0.0978 0.2657 ( 1037 PWs) bands (ev): -3.2659 -3.2658 -3.2005 -3.2003 -2.8332 -2.8331 -2.7516 -2.7515 -2.7094 -2.7094 -2.0937 -2.0937 9.7942 9.7943 9.9995 9.9996 10.1603 10.1605 13.5016 13.5016 16.2905 16.2905 18.5521 18.5525 18.7273 18.7277 k =-0.1128 0.1015 0.2759 ( 1037 PWs) bands (ev): -3.2596 -3.2594 -3.2006 -3.2004 -2.8301 -2.8301 -2.7502 -2.7501 -2.7148 -2.7148 -2.0174 -2.0174 9.8459 9.8459 10.0681 10.0682 10.2363 10.2364 13.2455 13.2456 16.3647 16.3647 18.3171 18.3175 18.4638 18.4642 k =-0.1170 0.1053 0.2861 ( 1037 PWs) bands (ev): -3.2537 -3.2535 -3.2008 -3.2006 -2.8269 -2.8269 -2.7488 -2.7487 -2.7203 -2.7202 -1.9378 -1.9378 9.8975 9.8975 10.1388 10.1389 10.3147 10.3148 12.9924 12.9925 16.4416 16.4416 18.0747 18.0752 18.2081 18.2086 k =-0.1212 0.1090 0.2963 ( 1037 PWs) bands (ev): -3.2483 -3.2481 -3.2010 -3.2008 -2.8235 -2.8235 -2.7475 -2.7473 -2.7256 -2.7256 -1.8549 -1.8549 9.9488 9.9489 10.2110 10.2111 10.3952 10.3954 12.7428 12.7429 16.5214 16.5214 17.8247 17.8251 17.9615 17.9619 k =-0.1253 0.1128 0.3065 ( 1037 PWs) bands (ev): -3.2435 -3.2433 -3.2014 -3.2011 -2.8199 -2.8199 -2.7462 -2.7460 -2.7308 -2.7307 -1.7689 -1.7689 9.9996 9.9997 10.2843 10.2844 10.4778 10.4779 12.4975 12.4976 16.6040 16.6040 17.5686 17.5690 17.7229 17.7233 k =-0.1295 0.1166 0.3168 ( 1041 PWs) bands (ev): -3.2392 -3.2390 -3.2018 -3.2015 -2.8161 -2.8160 -2.7455 -2.7452 -2.7354 -2.7352 -1.6797 -1.6797 10.0496 10.0496 10.3577 10.3578 10.5621 10.5622 12.2577 12.2578 16.6895 16.6895 17.3094 17.3097 17.4902 17.4905 k =-0.1337 0.1203 0.3270 ( 1037 PWs) bands (ev): -3.2354 -3.2352 -3.2022 -3.2019 -2.8119 -2.8119 -2.7464 -2.7461 -2.7381 -2.7378 -1.5875 -1.5875 10.0982 10.0983 10.4296 10.4297 10.6478 10.6479 12.0253 12.0254 16.7778 16.7779 17.0493 17.0496 17.2619 17.2622 k =-0.1379 0.1241 0.3372 ( 1037 PWs) bands (ev): -3.2322 -3.2319 -3.2028 -3.2024 -2.8076 -2.8075 -2.7498 -2.7496 -2.7379 -2.7378 -1.4922 -1.4922 10.1452 10.1453 10.4966 10.4967 10.7344 10.7345 11.8039 11.8041 16.7895 16.7898 16.8690 16.8690 17.0372 17.0375 k =-0.1421 0.1278 0.3474 ( 1037 PWs) bands (ev): -3.2295 -3.2291 -3.2034 -3.2030 -2.8030 -2.8029 -2.7543 -2.7541 -2.7365 -2.7363 -1.3940 -1.3940 10.1900 10.1901 10.5523 10.5523 10.8213 10.8214 11.6010 11.6011 16.5310 16.5313 16.8158 16.8160 16.9631 16.9632 k =-0.1462 0.1316 0.3576 ( 1037 PWs) bands (ev): -3.2272 -3.2268 -3.2041 -3.2037 -2.7984 -2.7983 -2.7590 -2.7588 -2.7346 -2.7344 -1.2929 -1.2929 10.2317 10.2318 10.5826 10.5827 10.9075 10.9076 11.4312 11.4314 16.2742 16.2744 16.5982 16.5984 17.0600 17.0600 k =-0.1504 0.1354 0.3678 ( 1037 PWs) bands (ev): -3.2254 -3.2250 -3.2049 -3.2045 -2.7938 -2.7937 -2.7636 -2.7633 -2.7323 -2.7321 -1.1889 -1.1889 10.2687 10.2690 10.5642 10.5644 10.9922 10.9922 11.3200 11.3201 16.0195 16.0197 16.3846 16.3848 17.1597 17.1597 k =-0.1546 0.1391 0.3781 ( 1033 PWs) bands (ev): -3.2240 -3.2235 -3.2058 -3.2053 -2.7896 -2.7894 -2.7677 -2.7674 -2.7297 -2.7295 -1.0821 -1.0821 10.2950 10.2955 10.4830 10.4834 11.0750 11.0751 11.2866 11.2866 15.7670 15.7671 16.1755 16.1757 17.2624 17.2624 k =-0.1588 0.1429 0.3883 ( 1037 PWs) bands (ev): -3.2230 -3.2225 -3.2068 -3.2063 -2.7866 -2.7863 -2.7708 -2.7703 -2.7269 -2.7267 -0.9725 -0.9724 10.2633 10.2642 10.3974 10.3982 11.1580 11.1582 11.3167 11.3168 15.5169 15.5171 15.9717 15.9718 17.3678 17.3678 k =-0.1629 0.1466 0.3985 ( 1037 PWs) bands (ev): -3.2224 -3.2218 -3.2079 -3.2073 -2.7860 -2.7856 -2.7714 -2.7708 -2.7236 -2.7234 -0.8601 -0.8601 10.1105 10.1110 10.3969 10.3974 11.2434 11.2438 11.3814 11.3816 15.2695 15.2696 15.7738 15.7739 17.4761 17.4761 k =-0.1671 0.1504 0.4087 ( 1037 PWs) bands (ev): -3.2221 -3.2215 -3.2090 -3.2084 -2.7881 -2.7878 -2.7692 -2.7687 -2.7200 -2.7198 -0.7451 -0.7450 9.9186 9.9189 10.4153 10.4156 11.3312 11.3316 11.4627 11.4629 15.0248 15.0250 15.5830 15.5831 17.5836 17.5838 k =-0.1713 0.1542 0.4189 ( 1037 PWs) bands (ev): -3.2220 -3.2214 -3.2102 -3.2096 -2.7915 -2.7913 -2.7660 -2.7656 -2.7159 -2.7158 -0.6274 -0.6274 9.7160 9.7163 10.4324 10.4326 11.4192 11.4196 11.5528 11.5532 14.7831 14.7833 15.4004 15.4005 17.4643 17.4643 k =-0.1755 0.1579 0.4291 ( 1037 PWs) bands (ev): -3.2223 -3.2215 -3.2115 -3.2108 -2.7953 -2.7951 -2.7626 -2.7622 -2.7115 -2.7113 -0.5071 -0.5071 9.5098 9.5100 10.4450 10.4452 11.5039 11.5043 11.6495 11.6498 14.5446 14.5447 15.2275 15.2276 17.3483 17.3483 k =-0.1797 0.1617 0.4394 ( 1041 PWs) bands (ev): -3.2228 -3.2220 -3.2128 -3.2120 -2.7993 -2.7991 -2.7593 -2.7590 -2.7067 -2.7065 -0.3844 -0.3844 9.3029 9.3031 10.4519 10.4521 11.5820 11.5824 11.7521 11.7523 14.3096 14.3097 15.0663 15.0664 17.2438 17.2439 k =-0.1838 0.1654 0.4496 ( 1041 PWs) bands (ev): -3.2234 -3.2226 -3.2140 -3.2132 -2.8031 -2.8030 -2.7564 -2.7561 -2.7015 -2.7013 -0.2592 -0.2592 9.0969 9.0971 10.4524 10.4525 11.6502 11.6506 11.8599 11.8601 14.0784 14.0785 14.9188 14.9189 17.1517 17.1517 k =-0.1880 0.1692 0.4598 ( 1037 PWs) bands (ev): -3.2242 -3.2234 -3.2153 -3.2144 -2.8069 -2.8068 -2.7537 -2.7534 -2.6960 -2.6959 -0.1316 -0.1316 8.8928 8.8929 10.4458 10.4460 11.7060 11.7062 11.9718 11.9720 13.8518 13.8519 14.7876 14.7877 17.0721 17.0721 k =-0.1922 0.1730 0.4700 ( 1037 PWs) bands (ev): -3.2252 -3.2244 -3.2165 -3.2157 -2.8106 -2.8105 -2.7514 -2.7511 -2.6904 -2.6903 -0.0018 -0.0018 8.6911 8.6912 10.4319 10.4320 11.7466 11.7468 12.0861 12.0863 13.6310 13.6311 14.6755 14.6755 17.0055 17.0055 k =-0.1964 0.1767 0.4802 ( 1037 PWs) bands (ev): -3.2263 -3.2255 -3.2177 -3.2169 -2.8141 -2.8140 -2.7494 -2.7491 -2.6847 -2.6846 0.1301 0.1301 8.4922 8.4923 10.4103 10.4104 11.7696 11.7698 12.1998 12.1999 13.4184 13.4185 14.5853 14.5853 16.9522 16.9522 k =-0.2005 0.1805 0.4905 ( 1037 PWs) bands (ev): -3.2275 -3.2267 -3.2189 -3.2181 -2.8175 -2.8174 -2.7476 -2.7473 -2.6790 -2.6789 0.2641 0.2641 8.2967 8.2967 10.3808 10.3810 11.7727 11.7728 12.3066 12.3067 13.2201 13.2201 14.5195 14.5195 16.9122 16.9122 k =-0.2047 0.1842 0.5007 ( 1037 PWs) bands (ev): -3.2287 -3.2279 -3.2200 -3.2192 -2.8208 -2.8207 -2.7460 -2.7458 -2.6734 -2.6733 0.4000 0.4000 8.1046 8.1047 10.3435 10.3436 11.7543 11.7544 12.3901 12.3902 13.0519 13.0520 14.4798 14.4798 16.8857 16.8857 k =-0.2089 0.1880 0.5109 ( 1033 PWs) bands (ev): -3.2299 -3.2291 -3.2211 -3.2203 -2.8238 -2.8237 -2.7446 -2.7444 -2.6679 -2.6678 0.5376 0.5376 7.9164 7.9165 10.2982 10.2983 11.7139 11.7140 12.4093 12.4094 12.9550 12.9550 14.4670 14.4670 16.8726 16.8726 k =-0.2131 0.1918 0.5211 ( 1033 PWs) bands (ev): -3.2312 -3.2304 -3.2222 -3.2214 -2.8267 -2.8267 -2.7433 -2.7432 -2.6627 -2.6626 0.6768 0.6768 7.7323 7.7324 10.2452 10.2453 11.6523 11.6524 12.3243 12.3244 12.9689 12.9689 14.4803 14.4804 16.8728 16.8728 k =-0.2173 0.1955 0.5313 ( 1033 PWs) bands (ev): -3.2324 -3.2316 -3.2232 -3.2225 -2.8295 -2.8294 -2.7423 -2.7421 -2.6577 -2.6576 0.8173 0.8173 7.5526 7.5527 10.1848 10.1849 11.5711 11.5712 12.1694 12.1695 13.0594 13.0595 14.5181 14.5181 16.8860 16.8861 k =-0.2214 0.1993 0.5415 ( 1037 PWs) bands (ev): -3.2336 -3.2329 -3.2243 -3.2236 -2.8322 -2.8321 -2.7413 -2.7412 -2.6530 -2.6529 0.9588 0.9588 7.3776 7.3777 10.1171 10.1172 11.4731 11.4732 11.9880 11.9881 13.1831 13.1832 14.5779 14.5779 16.9119 16.9119 k =-0.2256 0.2030 0.5518 ( 1033 PWs) bands (ev): -3.2347 -3.2339 -3.2253 -3.2245 -2.8346 -2.8345 -2.7405 -2.7403 -2.6486 -2.6485 1.1011 1.1011 7.2077 7.2078 10.0428 10.0429 11.3608 11.3609 11.7977 11.7978 13.3223 13.3224 14.6568 14.6569 16.9501 16.9501 k =-0.2298 0.2068 0.5620 ( 1029 PWs) bands (ev): -3.2357 -3.2350 -3.2262 -3.2255 -2.8369 -2.8368 -2.7397 -2.7396 -2.6447 -2.6446 1.2438 1.2438 7.0432 7.0433 9.9621 9.9622 11.2371 11.2371 11.6049 11.6050 13.4706 13.4706 14.7523 14.7524 17.0001 17.0001 k =-0.2340 0.2106 0.5722 ( 1033 PWs) bands (ev): -3.2368 -3.2360 -3.2271 -3.2264 -2.8391 -2.8390 -2.7391 -2.7389 -2.6412 -2.6411 1.3864 1.3864 6.8846 6.8847 9.8756 9.8757 11.1042 11.1043 11.4123 11.4124 13.6252 13.6253 14.8619 14.8620 17.0614 17.0614 k =-0.2381 0.2143 0.5824 ( 1037 PWs) bands (ev): -3.2377 -3.2370 -3.2279 -3.2272 -2.8411 -2.8410 -2.7385 -2.7384 -2.6381 -2.6380 1.5285 1.5285 6.7325 6.7325 9.7839 9.7840 10.9643 10.9644 11.2213 11.2214 13.7850 13.7850 14.9836 14.9836 17.1334 17.1334 k =-0.2423 0.2181 0.5926 ( 1039 PWs) bands (ev): -3.2386 -3.2379 -3.2287 -3.2280 -2.8429 -2.8429 -2.7381 -2.7379 -2.6355 -2.6354 1.6693 1.6693 6.5875 6.5875 9.6875 9.6876 10.8192 10.8192 11.0325 11.0326 13.9491 13.9492 15.1155 15.1156 17.2157 17.2157 k =-0.2465 0.2218 0.6028 ( 1039 PWs) bands (ev): -3.2395 -3.2388 -3.2292 -3.2285 -2.8446 -2.8446 -2.7376 -2.7375 -2.6333 -2.6333 1.8081 1.8081 6.4503 6.4504 9.5868 9.5869 10.6700 10.6701 10.8465 10.8466 14.1173 14.1173 15.2564 15.2564 17.3077 17.3077 k =-0.2507 0.2256 0.6131 ( 1039 PWs) bands (ev): -3.2404 -3.2397 -3.2296 -3.2290 -2.8462 -2.8461 -2.7373 -2.7372 -2.6317 -2.6316 1.9440 1.9440 6.3220 6.3221 9.4825 9.4826 10.5180 10.5180 10.6636 10.6637 14.2891 14.2892 15.4050 15.4050 17.4089 17.4089 k =-0.2549 0.2294 0.6233 ( 1043 PWs) bands (ev): -3.2413 -3.2407 -3.2299 -3.2293 -2.8476 -2.8475 -2.7370 -2.7369 -2.6306 -2.6305 2.0758 2.0758 6.2036 6.2037 9.3749 9.3750 10.3638 10.3638 10.4841 10.4842 14.4646 14.4647 15.5604 15.5605 17.5186 17.5187 k =-0.2590 0.2331 0.6335 ( 1043 PWs) bands (ev): -3.2423 -3.2417 -3.2299 -3.2293 -2.8488 -2.8487 -2.7367 -2.7366 -2.6299 -2.6298 2.2021 2.2021 6.0965 6.0966 9.2647 9.2648 10.2081 10.2082 10.3083 10.3084 14.6435 14.6435 15.7219 15.7220 17.6367 17.6367 k =-0.2632 0.2369 0.6437 ( 1045 PWs) bands (ev): -3.2434 -3.2429 -3.2297 -3.2291 -2.8499 -2.8498 -2.7365 -2.7364 -2.6298 -2.6297 2.3215 2.3215 6.0023 6.0023 9.1522 9.1523 10.0514 10.0515 10.1364 10.1365 14.8257 14.8257 15.8889 15.8890 17.7624 17.7624 k =-0.2674 0.2406 0.6539 ( 1041 PWs) bands (ev): -3.2446 -3.2441 -3.2292 -3.2287 -2.8508 -2.8507 -2.7363 -2.7362 -2.6302 -2.6301 2.4321 2.4321 5.9225 5.9226 9.0378 9.0379 9.8940 9.8942 9.9685 9.9687 15.0111 15.0112 16.0609 16.0610 17.8954 17.8954 k =-0.2716 0.2444 0.6642 ( 1041 PWs) bands (ev): -3.2459 -3.2454 -3.2285 -3.2281 -2.8515 -2.8515 -2.7361 -2.7360 -2.6311 -2.6310 2.5319 2.5319 5.8594 5.8594 8.9220 8.9221 9.7365 9.7367 9.8049 9.8050 15.1998 15.1998 16.2375 16.2376 18.0351 18.0352 k =-0.2758 0.2482 0.6744 ( 1041 PWs) bands (ev): -3.2473 -3.2469 -3.2276 -3.2272 -2.8522 -2.8521 -2.7360 -2.7358 -2.6324 -2.6324 2.6190 2.6190 5.8147 5.8147 8.8051 8.8052 9.5795 9.5797 9.6451 9.6453 15.3915 15.3916 16.4183 16.4184 18.1814 18.1814 k =-0.2799 0.2519 0.6846 ( 1041 PWs) bands (ev): -3.2488 -3.2485 -3.2265 -3.2261 -2.8527 -2.8526 -2.7358 -2.7357 -2.6343 -2.6342 2.6912 2.6912 5.7904 5.7904 8.6875 8.6876 9.4236 9.4238 9.4889 9.4891 15.5864 15.5865 16.6031 16.6032 18.3338 18.3338 k =-0.2841 0.2557 0.6948 ( 1041 PWs) bands (ev): -3.2505 -3.2502 -3.2252 -3.2249 -2.8530 -2.8530 -2.7356 -2.7355 -2.6367 -2.6366 2.7471 2.7471 5.7880 5.7880 8.5694 8.5695 9.2697 9.2699 9.3358 9.3361 15.7842 15.7843 16.7915 16.7916 18.4920 18.4920 k =-0.2883 0.2594 0.7050 ( 1037 PWs) bands (ev): -3.2523 -3.2521 -3.2237 -3.2234 -2.8532 -2.8532 -2.7354 -2.7353 -2.6394 -2.6394 2.7856 2.7856 5.8083 5.8083 8.4511 8.4512 9.1183 9.1186 9.1858 9.1860 15.9851 15.9852 16.9834 16.9835 18.6557 18.6557 k =-0.2925 0.2632 0.7152 ( 1035 PWs) bands (ev): -3.2543 -3.2541 -3.2221 -3.2218 -2.8533 -2.8532 -2.7352 -2.7351 -2.6427 -2.6426 2.8064 2.8064 5.8515 5.8515 8.3329 8.3330 8.9699 8.9701 9.0385 9.0388 16.1888 16.1889 17.1786 17.1787 18.8245 18.8246 k =-0.2966 0.2670 0.7255 ( 1035 PWs) bands (ev): -3.2565 -3.2562 -3.2204 -3.2201 -2.8532 -2.8532 -2.7350 -2.7349 -2.6463 -2.6462 2.8101 2.8101 5.9168 5.9168 8.2151 8.2152 8.8248 8.8250 8.8942 8.8944 16.3955 16.3956 17.3769 17.3770 18.9983 18.9983 k =-0.3008 0.2707 0.7357 ( 1035 PWs) bands (ev): -3.2588 -3.2586 -3.2185 -3.2183 -2.8530 -2.8530 -2.7348 -2.7347 -2.6504 -2.6503 2.7979 2.7979 6.0024 6.0025 8.0978 8.0978 8.6832 8.6835 8.7530 8.7532 16.6049 16.6050 17.5781 17.5782 19.1768 19.1768 k =-0.3050 0.2745 0.7459 ( 1035 PWs) bands (ev): -3.2613 -3.2611 -3.2166 -3.2164 -2.8527 -2.8527 -2.7345 -2.7344 -2.6547 -2.6546 2.7718 2.7718 6.1062 6.1062 7.9812 7.9813 8.5454 8.5457 8.6153 8.6155 16.8171 16.8172 17.7820 17.7821 19.3596 19.3596 k =-0.3092 0.2782 0.7561 ( 1043 PWs) bands (ev): -3.2640 -3.2638 -3.2147 -3.2145 -2.8524 -2.8523 -2.7342 -2.7341 -2.6595 -2.6594 2.7335 2.7336 6.2253 6.2253 7.8656 7.8656 8.4114 8.4117 8.4820 8.4823 17.0321 17.0322 17.9886 17.9887 19.5466 19.5466 k =-0.3134 0.2820 0.7663 ( 1043 PWs) bands (ev): -3.2669 -3.2667 -3.2126 -3.2124 -2.8519 -2.8518 -2.7338 -2.7337 -2.6644 -2.6643 2.6854 2.6854 6.3563 6.3564 7.7511 7.7511 8.2809 8.2812 8.3546 8.3549 17.2497 17.2498 18.1977 18.1978 19.7376 19.7376 k =-0.3175 0.2858 0.7766 ( 1043 PWs) bands (ev): -3.2700 -3.2698 -3.2106 -3.2104 -2.8513 -2.8512 -2.7334 -2.7332 -2.6695 -2.6694 2.6292 2.6292 6.4954 6.4955 7.6379 7.6379 8.1532 8.1535 8.2358 8.2360 17.4698 17.4700 18.4092 18.4093 19.9323 19.9323 k =-0.3217 0.2895 0.7868 ( 1039 PWs) bands (ev): -3.2733 -3.2731 -3.2085 -3.2084 -2.8506 -2.8505 -2.7328 -2.7327 -2.6748 -2.6747 2.5667 2.5668 6.6374 6.6375 7.5263 7.5263 8.0276 8.0279 8.1297 8.1299 17.6925 17.6927 18.6228 18.6230 20.1306 20.1306 k =-0.3217 0.2895 0.7868 ( 1039 PWs) bands (ev): -3.2733 -3.2731 -3.2085 -3.2084 -2.8506 -2.8505 -2.7328 -2.7327 -2.6748 -2.6747 2.5667 2.5668 6.6374 6.6375 7.5263 7.5263 8.0276 8.0279 8.1297 8.1299 17.6925 17.6927 18.6228 18.6230 20.1306 20.1306 k =-0.3152 0.2837 0.7916 ( 1041 PWs) bands (ev): -3.2737 -3.2728 -3.2087 -3.2082 -2.8510 -2.8500 -2.7329 -2.7327 -2.6748 -2.6746 2.5656 2.5657 6.6370 6.6394 7.5268 7.5274 7.9328 7.9434 8.2196 8.2285 17.6685 17.6699 18.6466 18.6480 20.1246 20.1246 k =-0.3087 0.2778 0.7964 ( 1041 PWs) bands (ev): -3.2743 -3.2724 -3.2088 -3.2080 -2.8515 -2.8495 -2.7330 -2.7326 -2.6749 -2.6744 2.5623 2.5625 6.6379 6.6427 7.5286 7.5300 7.8108 7.8228 8.3547 8.3634 17.6039 17.6063 18.7131 18.7154 20.1066 20.1066 k =-0.3087 0.2778 0.7964 ( 1041 PWs) bands (ev): -3.2743 -3.2724 -3.2088 -3.2080 -2.8515 -2.8495 -2.7330 -2.7326 -2.6749 -2.6744 2.5623 2.5625 6.6379 6.6427 7.5286 7.5300 7.8108 7.8228 8.3547 8.3634 17.6039 17.6063 18.7131 18.7154 20.1066 20.1066 k =-0.3001 0.2701 0.7964 ( 1037 PWs) bands (ev): -3.2732 -3.2705 -3.2099 -3.2086 -2.8522 -2.8493 -2.7332 -2.7329 -2.6723 -2.6716 2.5876 2.5878 6.5728 6.5789 7.5840 7.5867 7.7459 7.7566 8.5531 8.5605 17.4039 17.4069 18.7091 18.7120 19.9820 19.9820 k =-0.2915 0.2624 0.7964 ( 1039 PWs) bands (ev): -3.2724 -3.2687 -3.2110 -3.2093 -2.8528 -2.8491 -2.7336 -2.7331 -2.6697 -2.6688 2.6099 2.6102 6.5083 6.5153 7.6322 7.6408 7.6965 7.7011 8.7585 8.7647 17.1872 17.1905 18.7256 18.7288 19.8473 19.8473 k =-0.2829 0.2546 0.7964 ( 1039 PWs) bands (ev): -3.2717 -3.2671 -3.2121 -3.2099 -2.8534 -2.8489 -2.7339 -2.7334 -2.6671 -2.6659 2.6295 2.6298 6.4444 6.4520 7.6180 7.6332 7.7166 7.7191 8.9695 8.9747 16.9610 16.9644 18.7554 18.7587 19.7037 19.7038 k =-0.2744 0.2469 0.7964 ( 1039 PWs) bands (ev): -3.2712 -3.2656 -3.2131 -3.2105 -2.8540 -2.8487 -2.7342 -2.7336 -2.6644 -2.6631 2.6464 2.6468 6.3811 6.3889 7.5772 7.5905 7.7772 7.7783 9.1853 9.1897 16.7297 16.7332 18.7941 18.7974 19.5526 19.5528 k =-0.2658 0.2392 0.7964 ( 1037 PWs) bands (ev): -3.2708 -3.2643 -3.2140 -3.2110 -2.8545 -2.8484 -2.7344 -2.7338 -2.6617 -2.6602 2.6607 2.6612 6.3181 6.3260 7.5416 7.5537 7.8420 7.8426 9.4055 9.4091 16.4959 16.4994 18.8387 18.8420 19.3956 19.3959 k =-0.2572 0.2315 0.7964 ( 1037 PWs) bands (ev): -3.2705 -3.2633 -3.2149 -3.2115 -2.8549 -2.8482 -2.7347 -2.7340 -2.6590 -2.6574 2.6727 2.6732 6.2555 6.2632 7.5139 7.5251 7.9090 7.9093 9.6296 9.6326 16.2613 16.2648 18.8864 18.8894 19.2351 19.2358 k =-0.2487 0.2238 0.7964 ( 1039 PWs) bands (ev): -3.2705 -3.2625 -3.2158 -3.2120 -2.8553 -2.8480 -2.7349 -2.7342 -2.6563 -2.6546 2.6823 2.6829 6.1932 6.2007 7.4947 7.5050 7.9778 7.9780 9.8572 9.8597 16.0271 16.0306 18.9271 18.9284 19.0814 19.0839 k =-0.2401 0.2161 0.7964 ( 1041 PWs) bands (ev): -3.2706 -3.2619 -3.2165 -3.2124 -2.8556 -2.8478 -2.7351 -2.7344 -2.6536 -2.6517 2.6898 2.6905 6.1312 6.1384 7.4841 7.4935 8.0483 8.0484 10.0881 10.0901 15.7941 15.7976 18.8632 18.8648 19.0310 19.0364 k =-0.2315 0.2083 0.7964 ( 1041 PWs) bands (ev): -3.2709 -3.2615 -3.2171 -3.2127 -2.8558 -2.8475 -2.7352 -2.7345 -2.6508 -2.6489 2.6953 2.6961 6.0697 6.0764 7.4820 7.4905 8.1202 8.1203 10.3217 10.3233 15.5631 15.5666 18.7031 18.7042 19.0795 19.0844 k =-0.2229 0.2006 0.7964 ( 1043 PWs) bands (ev): -3.2713 -3.2615 -3.2176 -3.2130 -2.8560 -2.8473 -2.7353 -2.7346 -2.6481 -2.6462 2.6989 2.6998 6.0087 6.0150 7.4883 7.4960 8.1935 8.1936 10.5577 10.5589 15.3348 15.3382 18.5318 18.5326 19.1400 19.1448 k =-0.2144 0.1929 0.7964 ( 1039 PWs) bands (ev): -3.2718 -3.2616 -3.2179 -3.2132 -2.8561 -2.8471 -2.7354 -2.7346 -2.6454 -2.6434 2.7009 2.7018 5.9485 5.9543 7.5028 7.5097 8.2679 8.2681 10.7954 10.7962 15.1097 15.1131 18.3582 18.3588 19.2045 19.2093 k =-0.2058 0.1852 0.7964 ( 1039 PWs) bands (ev): -3.2725 -3.2620 -3.2181 -3.2134 -2.8562 -2.8469 -2.7354 -2.7347 -2.6428 -2.6407 2.7013 2.7023 5.8891 5.8945 7.5252 7.5314 8.3434 8.3437 11.0342 11.0347 14.8887 14.8920 18.1841 18.1847 19.2714 19.2762 k =-0.1972 0.1775 0.7964 ( 1037 PWs) bands (ev): -3.2733 -3.2626 -3.2183 -3.2135 -2.8563 -2.8468 -2.7353 -2.7346 -2.6401 -2.6380 2.7004 2.7014 5.8308 5.8358 7.5553 7.5607 8.4198 8.4201 11.2730 11.2731 14.6728 14.6761 18.0107 18.0112 19.3401 19.3450 k =-0.1886 0.1698 0.7964 ( 1034 PWs) bands (ev): -3.2741 -3.2634 -3.2183 -3.2136 -2.8562 -2.8466 -2.7352 -2.7346 -2.6375 -2.6354 2.6982 2.6993 5.7739 5.7783 7.5927 7.5975 8.4969 8.4972 11.5101 11.5103 14.4635 14.4667 17.8387 17.8391 19.4101 19.4152 k =-0.1801 0.1620 0.7964 ( 1036 PWs) bands (ev): -3.2751 -3.2644 -3.2183 -3.2137 -2.8562 -2.8465 -2.7351 -2.7345 -2.6349 -2.6329 2.6950 2.6961 5.7183 5.7224 7.6371 7.6413 8.5744 8.5748 11.7432 11.7436 14.2630 14.2662 17.6687 17.6691 19.4812 19.4864 k =-0.1715 0.1543 0.7964 ( 1034 PWs) bands (ev): -3.2761 -3.2656 -3.2182 -3.2138 -2.8561 -2.8465 -2.7349 -2.7344 -2.6324 -2.6304 2.6909 2.6920 5.6645 5.6682 7.6883 7.6919 8.6522 8.6527 11.9683 11.9690 14.0755 14.0786 17.5014 17.5018 19.5529 19.5583 k =-0.1629 0.1466 0.7964 ( 1036 PWs) bands (ev): -3.2772 -3.2669 -3.2180 -3.2139 -2.8560 -2.8464 -2.7348 -2.7343 -2.6300 -2.6280 2.6860 2.6872 5.6124 5.6157 7.7459 7.7490 8.7301 8.7306 12.1779 12.1789 13.9082 13.9113 17.3373 17.3376 19.6250 19.6306 k =-0.1543 0.1389 0.7964 ( 1036 PWs) bands (ev): -3.2784 -3.2683 -3.2178 -3.2139 -2.8558 -2.8464 -2.7345 -2.7342 -2.6276 -2.6256 2.6806 2.6817 5.5623 5.5653 7.8097 7.8122 8.8078 8.8082 12.3579 12.3591 13.7752 13.7782 17.1768 17.1771 19.6971 19.7030 k =-0.1458 0.1312 0.7964 ( 1038 PWs) bands (ev): -3.2795 -3.2697 -3.2177 -3.2140 -2.8556 -2.8465 -2.7343 -2.7340 -2.6253 -2.6234 2.6747 2.6758 5.5143 5.5169 7.8793 7.8814 8.8849 8.8854 12.4838 12.4853 13.7006 13.7036 17.0206 17.0209 19.7689 19.7750 k =-0.1372 0.1235 0.7964 ( 1042 PWs) bands (ev): -3.2807 -3.2713 -3.2174 -3.2140 -2.8554 -2.8466 -2.7341 -2.7338 -2.6231 -2.6213 2.6684 2.6695 5.4685 5.4709 7.9544 7.9561 8.9612 8.9618 12.5274 12.5292 13.7125 13.7155 16.8691 16.8693 19.8398 19.8463 k =-0.1286 0.1157 0.7964 ( 1044 PWs) bands (ev): -3.2818 -3.2729 -3.2172 -3.2141 -2.8552 -2.8467 -2.7338 -2.7336 -2.6209 -2.6192 2.6619 2.6631 5.4250 5.4271 8.0348 8.0361 9.0364 9.0370 12.4840 12.4859 13.8154 13.8183 16.7226 16.7228 19.9095 19.9164 k =-0.1200 0.1080 0.7964 ( 1042 PWs) bands (ev): -3.2829 -3.2744 -3.2170 -3.2140 -2.8550 -2.8468 -2.7335 -2.7333 -2.6189 -2.6173 2.6554 2.6565 5.3839 5.3858 8.1201 8.1211 9.1100 9.1107 12.3787 12.3807 13.9834 13.9864 16.5820 16.5822 19.9774 19.9847 k =-0.1115 0.1003 0.7964 ( 1038 PWs) bands (ev): -3.2840 -3.2760 -3.2167 -3.2140 -2.8547 -2.8469 -2.7331 -2.7330 -2.6169 -2.6154 2.6488 2.6499 5.3454 5.3470 8.2101 8.2107 9.1818 9.1825 12.2395 12.2415 14.1884 14.1916 16.4476 16.4478 20.0429 20.0507 k =-0.1029 0.0926 0.7964 ( 1038 PWs) bands (ev): -3.2850 -3.2775 -3.2165 -3.2140 -2.8544 -2.8471 -2.7328 -2.7327 -2.6151 -2.6137 2.6424 2.6434 5.3094 5.3109 8.3043 8.3046 9.2512 9.2520 12.0834 12.0854 14.4126 14.4160 16.3199 16.3200 20.1053 20.1136 k =-0.0943 0.0849 0.7964 ( 1038 PWs) bands (ev): -3.2860 -3.2790 -3.2163 -3.2141 -2.8541 -2.8473 -2.7325 -2.7325 -2.6134 -2.6121 2.6362 2.6372 5.2761 5.2774 8.4024 8.4025 9.3179 9.3187 11.9195 11.9214 14.6462 14.6498 16.1995 16.1995 20.1637 20.1727 k =-0.0857 0.0772 0.7964 ( 1037 PWs) bands (ev): -3.2868 -3.2805 -3.2160 -3.2141 -2.8538 -2.8475 -2.7322 -2.7322 -2.6118 -2.6106 2.6303 2.6312 5.2455 5.2466 8.5037 8.5040 9.3813 9.3822 11.7530 11.7548 14.8832 14.8870 16.0868 16.0869 20.2172 20.2269 k =-0.0772 0.0694 0.7964 ( 1039 PWs) bands (ev): -3.2877 -3.2819 -3.2159 -3.2142 -2.8535 -2.8477 -2.7320 -2.7320 -2.6103 -2.6092 2.6247 2.6255 5.2177 5.2187 8.6079 8.6084 9.4411 9.4421 11.5867 11.5885 15.1194 15.1234 15.9825 15.9828 20.2646 20.2750 k =-0.0686 0.0617 0.7964 ( 1037 PWs) bands (ev): -3.2884 -3.2832 -3.2157 -3.2142 -2.8531 -2.8480 -2.7317 -2.7317 -2.6090 -2.6080 2.6195 2.6203 5.1927 5.1935 8.7141 8.7149 9.4967 9.4978 11.4230 11.4246 15.3510 15.3554 15.8873 15.8879 20.3043 20.3155 k =-0.0600 0.0540 0.7964 ( 1037 PWs) bands (ev): -3.2890 -3.2844 -3.2155 -3.2142 -2.8528 -2.8482 -2.7315 -2.7314 -2.6078 -2.6069 2.6149 2.6156 5.1705 5.1712 8.8215 8.8225 9.5477 9.5489 11.2635 11.2650 15.5737 15.5790 15.8020 15.8035 20.3348 20.3468 k =-0.0514 0.0463 0.7964 ( 1037 PWs) bands (ev): -3.2895 -3.2855 -3.2154 -3.2143 -2.8525 -2.8485 -2.7313 -2.7312 -2.6067 -2.6060 2.6107 2.6113 5.1513 5.1519 8.9285 8.9297 9.5938 9.5951 11.1101 11.1114 15.7175 15.7224 15.7952 15.7964 20.3541 20.3667 k =-0.0429 0.0386 0.7964 ( 1037 PWs) bands (ev): -3.2898 -3.2865 -3.2152 -3.2143 -2.8521 -2.8488 -2.7311 -2.7310 -2.6058 -2.6052 2.6072 2.6077 5.1349 5.1354 9.0332 9.0346 9.6345 9.6359 10.9651 10.9662 15.6585 15.6596 15.9862 15.9886 20.3605 20.3733 k =-0.0343 0.0309 0.7964 ( 1037 PWs) bands (ev): -3.2901 -3.2874 -3.2151 -3.2144 -2.8518 -2.8491 -2.7309 -2.7309 -2.6050 -2.6046 2.6042 2.6046 5.1215 5.1219 9.1325 9.1339 9.6697 9.6712 10.8315 10.8324 15.6052 15.6058 16.1596 16.1622 20.3538 20.3660 k =-0.0257 0.0231 0.7964 ( 1039 PWs) bands (ev): -3.2902 -3.2882 -3.2150 -3.2145 -2.8515 -2.8495 -2.7308 -2.7308 -2.6045 -2.6041 2.6019 2.6022 5.1111 5.1114 9.2218 9.2232 9.6991 9.7006 10.7139 10.7145 15.5630 15.5633 16.3053 16.3076 20.3362 20.3469 k =-0.0171 0.0154 0.7964 ( 1033 PWs) bands (ev): -3.2902 -3.2889 -3.2148 -3.2145 -2.8511 -2.8498 -2.7307 -2.7306 -2.6040 -2.6037 2.6002 2.6005 5.1037 5.1038 9.2947 9.2959 9.7224 9.7236 10.6190 10.6194 15.5325 15.5327 16.4164 16.4181 20.3142 20.3220 k =-0.0086 0.0077 0.7964 ( 1033 PWs) bands (ev): -3.2901 -3.2894 -3.2147 -3.2146 -2.8508 -2.8501 -2.7306 -2.7306 -2.6037 -2.6036 2.5993 2.5994 5.0992 5.0993 9.3434 9.3441 9.7380 9.7388 10.5558 10.5561 15.5141 15.5142 16.4865 16.4874 20.2964 20.3006 k = 0.0000 0.0000 0.7964 ( 1038 PWs) bands (ev): -3.2899 -3.2899 -3.2147 -3.2147 -2.8505 -2.8505 -2.7306 -2.7306 -2.6036 -2.6036 2.5990 2.5990 5.0977 5.0977 9.3609 9.3609 9.7439 9.7439 10.5335 10.5335 15.5080 15.5080 16.5107 16.5107 20.2908 20.2908 k = 0.0000 0.0000 0.7964 ( 1038 PWs) bands (ev): -3.2899 -3.2899 -3.2147 -3.2147 -2.8505 -2.8505 -2.7306 -2.7306 -2.6036 -2.6036 2.5990 2.5990 5.0977 5.0977 9.3609 9.3609 9.7439 9.7439 10.5335 10.5335 15.5080 15.5080 16.5107 16.5107 20.2908 20.2908 k = 0.0078 0.0087 0.7964 ( 1034 PWs) bands (ev): -3.2901 -3.2893 -3.2149 -3.2145 -2.8509 -2.8500 -2.7308 -2.7304 -2.6036 -2.6035 2.5992 2.5994 5.0990 5.0992 9.3441 9.3648 9.6981 9.7257 10.5675 10.5753 15.5107 15.5145 16.5128 16.5166 20.2890 20.2904 k = 0.0156 0.0174 0.7964 ( 1036 PWs) bands (ev): -3.2903 -3.2887 -3.2151 -3.2143 -2.8514 -2.8495 -2.7310 -2.7301 -2.6037 -2.6034 2.6002 2.6005 5.1028 5.1033 9.3119 9.3573 9.6029 9.6584 10.6649 10.6768 15.5223 15.5300 16.5229 16.5305 20.2846 20.2875 k = 0.0234 0.0260 0.7964 ( 1036 PWs) bands (ev): -3.2903 -3.2879 -3.2153 -3.2141 -2.8518 -2.8490 -2.7312 -2.7299 -2.6038 -2.6034 2.6018 2.6022 5.1094 5.1101 9.2605 9.3394 9.4814 9.5707 10.8012 10.8142 15.5424 15.5540 16.5413 16.5527 20.2774 20.2819 k = 0.0312 0.0347 0.7964 ( 1032 PWs) bands (ev): -3.2902 -3.2869 -3.2155 -3.2139 -2.8522 -2.8484 -2.7313 -2.7296 -2.6039 -2.6033 2.6040 2.6046 5.1185 5.1195 9.1859 9.3092 9.3507 9.4833 10.9597 10.9727 15.5705 15.5859 16.5684 16.5835 20.2673 20.2733 k = 0.0391 0.0434 0.7964 ( 1032 PWs) bands (ev): -3.2899 -3.2859 -3.2158 -3.2138 -2.8526 -2.8479 -2.7314 -2.7293 -2.6040 -2.6033 2.6069 2.6077 5.1303 5.1315 9.0888 9.2044 9.2811 9.4046 11.1318 11.1444 15.6055 15.6246 16.6045 16.6233 20.2535 20.2612 k = 0.0469 0.0521 0.7964 ( 1028 PWs) bands (ev): -3.2894 -3.2846 -3.2160 -3.2136 -2.8529 -2.8474 -2.7315 -2.7290 -2.6041 -2.6032 2.6104 2.6113 5.1447 5.1461 8.9755 9.0657 9.2366 9.3332 11.3133 11.3255 15.6463 15.6692 16.6504 16.6728 20.2355 20.2449 k = 0.0547 0.0608 0.7964 ( 1030 PWs) bands (ev): -3.2889 -3.2833 -3.2163 -3.2135 -2.8533 -2.8468 -2.7317 -2.7287 -2.6042 -2.6032 2.6145 2.6156 5.1616 5.1633 8.8534 8.9269 9.1860 9.2647 11.5017 11.5137 15.6919 15.7181 16.7066 16.7324 20.2126 20.2237 k = 0.0625 0.0694 0.7964 ( 1030 PWs) bands (ev): -3.2882 -3.2819 -3.2166 -3.2134 -2.8537 -2.8463 -2.7317 -2.7283 -2.6044 -2.6032 2.6192 2.6204 5.1810 5.1829 8.7275 8.7902 9.1292 9.1958 11.6958 11.7077 15.7409 15.7703 16.7738 16.8026 20.1842 20.1970 k = 0.0703 0.0781 0.7964 ( 1028 PWs) bands (ev): -3.2873 -3.2804 -3.2169 -3.2133 -2.8540 -2.8458 -2.7318 -2.7279 -2.6045 -2.6032 2.6245 2.6257 5.2029 5.2051 8.6011 8.6565 9.0668 9.1249 11.8947 11.9067 15.7923 15.8244 16.8524 16.8839 20.1498 20.1642 k = 0.0781 0.0868 0.7964 ( 1032 PWs) bands (ev): -3.2864 -3.2788 -3.2172 -3.2133 -2.8544 -2.8453 -2.7319 -2.7276 -2.6046 -2.6032 2.6302 2.6316 5.2271 5.2296 8.4761 8.5262 8.9994 9.0514 12.0979 12.1100 15.8451 15.8795 16.9426 16.9763 20.1090 20.1250 k = 0.0859 0.0955 0.7964 ( 1032 PWs) bands (ev): -3.2854 -3.2771 -3.2174 -3.2132 -2.8547 -2.8447 -2.7319 -2.7272 -2.6048 -2.6032 2.6364 2.6379 5.2537 5.2565 8.3535 8.3999 8.9279 8.9752 12.3049 12.3173 15.8985 15.9347 17.0445 17.0799 20.0618 20.0793 k = 0.0938 0.1042 0.7964 ( 1032 PWs) bands (ev): -3.2842 -3.2754 -3.2177 -3.2131 -2.8550 -2.8442 -2.7319 -2.7268 -2.6049 -2.6032 2.6430 2.6446 5.2825 5.2856 8.2342 8.2777 8.8527 8.8965 12.5153 12.5282 15.9520 15.9896 17.1578 17.1944 20.0087 20.0274 k = 0.1016 0.1129 0.7964 ( 1030 PWs) bands (ev): -3.2830 -3.2736 -3.2180 -3.2131 -2.8552 -2.8437 -2.7319 -2.7263 -2.6051 -2.6032 2.6500 2.6517 5.3134 5.3169 8.1186 8.1600 8.7747 8.8157 12.7289 12.7424 16.0051 16.0437 17.2819 17.3192 19.9504 19.9700 k = 0.1094 0.1215 0.7964 ( 1030 PWs) bands (ev): -3.2818 -3.2719 -3.2182 -3.2131 -2.8555 -2.8432 -2.7319 -2.7259 -2.6052 -2.6032 2.6574 2.6591 5.3464 5.3501 8.0072 8.0470 8.6944 8.7332 12.9455 12.9597 16.0578 16.0970 17.4159 17.4536 19.8877 19.9082 k = 0.1172 0.1302 0.7964 ( 1030 PWs) bands (ev): -3.2804 -3.2701 -3.2185 -3.2131 -2.8557 -2.8427 -2.7318 -2.7255 -2.6054 -2.6032 2.6649 2.6668 5.3812 5.3853 7.9002 7.9388 8.6126 8.6496 13.1647 13.1797 16.1099 16.1495 17.5588 17.5964 19.8221 19.8433 k = 0.1250 0.1389 0.7964 ( 1030 PWs) bands (ev): -3.2791 -3.2684 -3.2188 -3.2131 -2.8559 -2.8422 -2.7318 -2.7250 -2.6055 -2.6032 2.6727 2.6746 5.4178 5.4223 7.7979 7.8357 8.5297 8.5654 13.3863 13.4023 16.1613 16.2013 17.7093 17.7466 19.7551 19.7767 k = 0.1328 0.1476 0.7964 ( 1030 PWs) bands (ev): -3.2777 -3.2666 -3.2190 -3.2131 -2.8561 -2.8417 -2.7317 -2.7246 -2.6057 -2.6032 2.6806 2.6825 5.4559 5.4607 7.7006 7.7377 8.4464 8.4810 13.6100 13.6272 16.2121 16.2524 17.8656 17.9024 19.6885 19.7103 k = 0.1406 0.1563 0.7964 ( 1028 PWs) bands (ev): -3.2763 -3.2650 -3.2192 -3.2131 -2.8563 -2.8413 -2.7316 -2.7241 -2.6058 -2.6032 2.6885 2.6905 5.4954 5.5006 7.6084 7.6451 8.3633 8.3971 13.8355 13.8541 16.2621 16.3029 18.0258 18.0615 19.6247 19.6463 k = 0.1484 0.1649 0.7964 ( 1026 PWs) bands (ev): -3.2749 -3.2633 -3.2194 -3.2132 -2.8564 -2.8409 -2.7315 -2.7236 -2.6059 -2.6032 2.6964 2.6984 5.5359 5.5415 7.5215 7.5579 8.2810 8.3142 14.0623 14.0827 16.3115 16.3528 18.1867 18.2207 19.5673 19.5878 k = 0.1562 0.1736 0.7964 ( 1026 PWs) bands (ev): -3.2735 -3.2618 -3.2197 -3.2132 -2.8566 -2.8404 -2.7314 -2.7232 -2.6060 -2.6032 2.7042 2.7062 5.5773 5.5832 7.4400 7.4763 8.2000 8.2328 14.2901 14.3125 16.3599 16.4021 18.3435 18.3745 19.5214 19.5391 k = 0.1641 0.1823 0.7964 ( 1028 PWs) bands (ev): -3.2722 -3.2604 -3.2199 -3.2133 -2.8567 -2.8401 -2.7313 -2.7227 -2.6062 -2.6032 2.7118 2.7138 5.6191 5.6254 7.3642 7.4004 8.1211 8.1536 14.5181 14.5430 16.4071 16.4508 18.4883 18.5144 19.4956 19.5070 k = 0.1719 0.1910 0.7964 ( 1030 PWs) bands (ev): -3.2709 -3.2591 -3.2200 -3.2135 -2.8569 -2.8398 -2.7312 -2.7223 -2.6063 -2.6032 2.7191 2.7211 5.6610 5.6676 7.2942 7.3303 8.0448 8.0772 14.7456 14.7737 16.4530 16.4987 18.6082 18.6286 19.4986 19.5047 k = 0.1797 0.1997 0.7964 ( 1032 PWs) bands (ev): -3.2697 -3.2579 -3.2202 -3.2136 -2.8570 -2.8395 -2.7311 -2.7220 -2.6064 -2.6032 2.7260 2.7281 5.7024 5.7093 7.2302 7.2662 7.9718 8.0042 14.9715 15.0037 16.4972 16.5458 18.6849 18.7073 19.5257 19.5552 k = 0.1875 0.2083 0.7964 ( 1034 PWs) bands (ev): -3.2686 -3.2568 -3.2203 -3.2137 -2.8571 -2.8392 -2.7311 -2.7216 -2.6065 -2.6032 2.7324 2.7345 5.7429 5.7500 7.1722 7.2082 7.9030 7.9354 15.1944 15.2320 16.5392 16.5919 18.7100 18.7465 19.5633 19.6436 k = 0.1953 0.2170 0.7964 ( 1030 PWs) bands (ev): -3.2675 -3.2558 -3.2204 -3.2138 -2.8572 -2.8389 -2.7309 -2.7212 -2.6066 -2.6032 2.7384 2.7405 5.7818 5.7889 7.1205 7.1564 7.8391 7.8716 15.4123 15.4570 16.5785 16.6373 18.6939 18.7482 19.5217 19.6481 k = 0.2031 0.2257 0.7964 ( 1028 PWs) bands (ev): -3.2665 -3.2549 -3.2204 -3.2139 -2.8572 -2.8387 -2.7308 -2.7209 -2.6066 -2.6031 2.7437 2.7458 5.8184 5.8253 7.0751 7.1108 7.7810 7.8136 15.6221 15.6766 16.6146 16.6820 18.6491 18.7217 19.3887 19.5064 k = 0.2109 0.2344 0.7964 ( 1030 PWs) bands (ev): -3.2656 -3.2542 -3.2205 -3.2141 -2.8573 -2.8385 -2.7307 -2.7207 -2.6067 -2.6032 2.7483 2.7504 5.8517 5.8584 7.0364 7.0717 7.7295 7.7623 15.8194 15.8874 16.6470 16.7267 18.5830 18.6738 19.2380 19.3570 k = 0.2188 0.2431 0.7964 ( 1028 PWs) bands (ev): -3.2649 -3.2537 -3.2205 -3.2141 -2.8573 -2.8383 -2.7306 -2.7204 -2.6068 -2.6032 2.7522 2.7543 5.8810 5.8872 7.0044 7.0393 7.6857 7.7186 15.9979 16.0846 16.6750 16.7724 18.5003 18.6067 19.1032 19.2274 k = 0.2266 0.2517 0.7964 ( 1028 PWs) bands (ev): -3.2643 -3.2532 -3.2205 -3.2142 -2.8574 -2.8382 -2.7306 -2.7202 -2.6068 -2.6032 2.7553 2.7574 5.9052 5.9108 6.9794 7.0136 7.6505 7.6835 16.1487 16.2604 16.6983 16.8195 18.4077 18.5233 19.0000 19.1264 k = 0.2344 0.2604 0.7964 ( 1028 PWs) bands (ev): -3.2639 -3.2529 -3.2205 -3.2143 -2.8574 -2.8381 -2.7305 -2.7201 -2.6068 -2.6032 2.7575 2.7596 5.9235 5.9283 6.9614 6.9951 7.6246 7.6576 16.2625 16.4033 16.7168 16.8659 18.3182 18.4364 18.9323 19.0565 k = 0.2422 0.2691 0.7964 ( 1030 PWs) bands (ev): -3.2636 -3.2527 -3.2205 -3.2144 -2.8574 -2.8381 -2.7305 -2.7200 -2.6069 -2.6032 2.7588 2.7609 5.9349 5.9391 6.9505 6.9839 7.6087 7.6418 16.3322 16.4980 16.7298 16.9032 18.2513 18.3690 18.8954 19.0161 k = 0.2500 0.2778 0.7964 ( 1032 PWs) bands (ev): -3.2635 -3.2527 -3.2205 -3.2145 -2.8574 -2.8381 -2.7306 -2.7200 -2.6069 -2.6032 2.7593 2.7613 5.9389 5.9429 6.9469 6.9801 7.6032 7.6364 16.3554 16.5313 16.7350 16.9179 18.2260 18.3432 18.8838 19.0029 k = 0.2500 0.2778 0.7964 ( 1032 PWs) bands (ev): -3.2635 -3.2527 -3.2205 -3.2145 -2.8574 -2.8381 -2.7306 -2.7200 -2.6069 -2.6032 2.7593 2.7613 5.9389 5.9429 6.9469 6.9801 7.6032 7.6364 16.3554 16.5313 16.7350 16.9179 18.2260 18.3432 18.8838 19.0029 k = 0.2424 0.2846 0.7908 ( 1028 PWs) bands (ev): -3.2635 -3.2526 -3.2205 -3.2145 -2.8574 -2.8380 -2.7305 -2.7200 -2.6069 -2.6032 2.7580 2.7600 5.9327 5.9371 6.9550 6.9887 7.6074 7.6408 16.3461 16.5233 16.7231 16.9079 18.2263 18.3426 18.8755 18.9944 k = 0.2348 0.2914 0.7852 ( 1030 PWs) bands (ev): -3.2634 -3.2525 -3.2206 -3.2145 -2.8574 -2.8381 -2.7305 -2.7200 -2.6069 -2.6032 2.7541 2.7561 5.9149 5.9202 6.9788 7.0136 7.6199 7.6539 16.3180 16.4983 16.6888 16.8785 18.2270 18.3406 18.8508 18.9690 k = 0.2273 0.2982 0.7796 ( 1028 PWs) bands (ev): -3.2631 -3.2524 -3.2206 -3.2146 -2.8573 -2.8381 -2.7304 -2.7200 -2.6069 -2.6032 2.7476 2.7497 5.8873 5.8936 7.0167 7.0532 7.6406 7.6757 16.2708 16.4542 16.6360 16.8313 18.2278 18.3373 18.8109 18.9277 k = 0.2197 0.3051 0.7740 ( 1030 PWs) bands (ev): -3.2629 -3.2522 -3.2207 -3.2147 -2.8572 -2.8381 -2.7304 -2.7200 -2.6070 -2.6033 2.7388 2.7408 5.8520 5.8590 7.0670 7.1056 7.6695 7.7060 16.2043 16.3870 16.5712 16.7688 18.2284 18.3323 18.7572 18.8720 k = 0.2121 0.3119 0.7684 ( 1032 PWs) bands (ev): -3.2625 -3.2519 -3.2207 -3.2148 -2.8571 -2.8382 -2.7303 -2.7200 -2.6071 -2.6033 2.7276 2.7296 5.8111 5.8185 7.1276 7.1685 7.7064 7.7447 16.1185 16.2940 16.5000 16.6937 18.2282 18.3253 18.6923 18.8037 k = 0.2045 0.3187 0.7628 ( 1030 PWs) bands (ev): -3.2621 -3.2516 -3.2208 -3.2149 -2.8569 -2.8382 -2.7302 -2.7200 -2.6071 -2.6034 2.7143 2.7163 5.7662 5.7739 7.1968 7.2401 7.7511 7.7914 16.0139 16.1762 16.4246 16.6083 18.2269 18.3158 18.6189 18.7255 k = 0.1970 0.3255 0.7572 ( 1032 PWs) bands (ev): -3.2616 -3.2512 -3.2209 -3.2151 -2.8568 -2.8383 -2.7300 -2.7199 -2.6072 -2.6035 2.6989 2.7009 5.7190 5.7266 7.2733 7.3190 7.8035 7.8459 15.8916 16.0378 16.3439 16.5142 18.2240 18.3029 18.5403 18.6397 k = 0.1894 0.3323 0.7516 ( 1032 PWs) bands (ev): -3.2611 -3.2508 -3.2210 -3.2153 -2.8566 -2.8384 -2.7298 -2.7199 -2.6073 -2.6035 2.6819 2.6838 5.6704 5.6779 7.3559 7.4040 7.8631 7.9079 15.7534 15.8832 16.2564 16.4124 18.2191 18.2844 18.4614 18.5489 k = 0.1818 0.3392 0.7460 ( 1030 PWs) bands (ev): -3.2604 -3.2503 -3.2212 -3.2155 -2.8563 -2.8384 -2.7297 -2.7199 -2.6074 -2.6036 2.6632 2.6652 5.6214 5.6286 7.4437 7.4942 7.9299 7.9769 15.6013 15.7159 16.1611 16.3034 18.2115 18.2555 18.3896 18.4557 k = 0.1742 0.3460 0.7404 ( 1030 PWs) bands (ev): -3.2597 -3.2498 -3.2213 -3.2157 -2.8561 -2.8385 -2.7294 -2.7198 -2.6074 -2.6037 2.6433 2.6452 5.5725 5.5794 7.5362 7.5890 8.0033 8.0526 15.4376 15.5388 16.0579 16.1875 18.1938 18.2145 18.3358 18.3628 k = 0.1667 0.3528 0.7347 ( 1030 PWs) bands (ev): -3.2590 -3.2493 -3.2215 -3.2160 -2.8558 -2.8386 -2.7292 -2.7198 -2.6075 -2.6038 2.6222 2.6241 5.5243 5.5309 7.6329 7.6878 8.0832 8.1347 15.2643 15.3539 15.9467 16.0648 18.1335 18.1918 18.2744 18.3008 k = 0.1591 0.3596 0.7291 ( 1030 PWs) bands (ev): -3.2582 -3.2488 -3.2216 -3.2163 -2.8554 -2.8388 -2.7290 -2.7198 -2.6076 -2.6040 2.6003 2.6021 5.4772 5.4834 7.7334 7.7902 8.1690 8.2226 15.0834 15.1631 15.8280 15.9356 18.0582 18.1526 18.2106 18.2751 k = 0.1515 0.3664 0.7235 ( 1026 PWs) bands (ev): -3.2574 -3.2482 -3.2218 -3.2165 -2.8551 -2.8389 -2.7287 -2.7197 -2.6077 -2.6041 2.5778 2.5796 5.4314 5.4372 7.8373 7.8959 8.2605 8.3161 14.8964 14.9677 15.7024 15.8005 17.9816 18.0772 18.1858 18.2527 k = 0.1439 0.3732 0.7179 ( 1024 PWs) bands (ev): -3.2565 -3.2476 -3.2219 -3.2168 -2.8547 -2.8390 -2.7284 -2.7197 -2.6078 -2.6042 2.5548 2.5566 5.3872 5.3926 7.9445 8.0045 8.3572 8.4146 14.7046 14.7688 15.5707 15.6601 17.9072 17.9965 18.1693 18.2315 k = 0.1364 0.3801 0.7123 ( 1028 PWs) bands (ev): -3.2556 -3.2470 -3.2222 -3.2172 -2.8543 -2.8392 -2.7281 -2.7197 -2.6078 -2.6043 2.5317 2.5335 5.3447 5.3497 8.0545 8.1159 8.4588 8.5178 14.5093 14.5674 15.4338 15.5151 17.8364 17.9187 18.1538 18.2106 k = 0.1288 0.3869 0.7067 ( 1030 PWs) bands (ev): -3.2548 -3.2465 -3.2224 -3.2176 -2.8539 -2.8394 -2.7278 -2.7196 -2.6079 -2.6045 2.5087 2.5104 5.3041 5.3088 8.1672 8.2296 8.5649 8.6254 14.3114 14.3642 15.2927 15.3667 17.7698 17.8452 18.1382 18.1898 k = 0.1212 0.3937 0.7011 ( 1030 PWs) bands (ev): -3.2538 -3.2459 -3.2226 -3.2179 -2.8535 -2.8396 -2.7274 -2.7196 -2.6079 -2.6046 2.4859 2.4876 5.2655 5.2698 8.2822 8.3454 8.6754 8.7371 14.1118 14.1600 15.1485 15.2157 17.7077 17.7766 18.1225 18.1693 k = 0.1136 0.4005 0.6955 ( 1030 PWs) bands (ev): -3.2529 -3.2453 -3.2227 -3.2183 -2.8530 -2.8398 -2.7271 -2.7196 -2.6080 -2.6048 2.4636 2.4652 5.2290 5.2330 8.3990 8.4626 8.7900 8.8525 13.9111 13.9554 15.0024 15.0633 17.6502 17.7129 18.1067 18.1491 k = 0.1061 0.4073 0.6899 ( 1032 PWs) bands (ev): -3.2520 -3.2448 -3.2230 -3.2187 -2.8526 -2.8400 -2.7267 -2.7197 -2.6080 -2.6049 2.4418 2.4434 5.1947 5.1983 8.5172 8.5808 8.9084 8.9715 13.7098 13.7507 14.8554 14.9105 17.5973 17.6541 18.0910 18.1293 k = 0.0985 0.4141 0.6843 ( 1032 PWs) bands (ev): -3.2510 -3.2443 -3.2231 -3.2191 -2.8521 -2.8402 -2.7264 -2.7197 -2.6080 -2.6051 2.4209 2.4224 5.1626 5.1659 8.6362 8.6993 9.0307 9.0939 13.5086 13.5464 14.7088 14.7586 17.5488 17.6000 18.0756 18.1101 k = 0.0909 0.4210 0.6787 ( 1034 PWs) bands (ev): -3.2501 -3.2439 -3.2233 -3.2196 -2.8516 -2.8405 -2.7260 -2.7198 -2.6080 -2.6052 2.4009 2.4023 5.1327 5.1357 8.7552 8.8172 9.1568 9.2196 13.3078 13.3430 14.5638 14.6087 17.5046 17.5506 18.0607 18.0917 k = 0.0833 0.4278 0.6731 ( 1034 PWs) bands (ev): -3.2492 -3.2434 -3.2235 -3.2200 -2.8510 -2.8408 -2.7256 -2.7198 -2.6080 -2.6054 2.3820 2.3834 5.1052 5.1079 8.8734 8.9334 9.2868 9.3485 13.1078 13.1407 14.4216 14.4620 17.4646 17.5056 18.0464 18.0741 k = 0.0758 0.4346 0.6675 ( 1036 PWs) bands (ev): -3.2484 -3.2431 -3.2237 -3.2204 -2.8505 -2.8411 -2.7252 -2.7199 -2.6079 -2.6055 2.3643 2.3656 5.0800 5.0824 8.9897 9.0469 9.4208 9.4807 12.9090 12.9399 14.2837 14.3198 17.4286 17.4650 18.0330 18.0576 k = 0.0682 0.4414 0.6619 ( 1036 PWs) bands (ev): -3.2475 -3.2427 -3.2238 -3.2208 -2.8500 -2.8414 -2.7248 -2.7200 -2.6079 -2.6056 2.3480 2.3492 5.0571 5.0593 9.1027 9.1564 9.5588 9.6162 12.7117 12.7408 14.1514 14.1835 17.3965 17.4285 18.0206 18.0422 k = 0.0606 0.4482 0.6563 ( 1036 PWs) bands (ev): -3.2467 -3.2424 -3.2239 -3.2212 -2.8494 -2.8418 -2.7244 -2.7201 -2.6078 -2.6058 2.3331 2.3342 5.0366 5.0385 9.2111 9.2604 9.7009 9.7551 12.5163 12.5439 14.0263 14.0545 17.3682 17.3961 18.0092 18.0281 k = 0.0530 0.4551 0.6506 ( 1036 PWs) bands (ev): -3.2460 -3.2422 -3.2240 -3.2216 -2.8489 -2.8422 -2.7240 -2.7202 -2.6077 -2.6059 2.3198 2.3207 5.0185 5.0202 9.3133 9.3575 9.8469 9.8975 12.3230 12.3493 13.9098 13.9344 17.3436 17.3676 17.9991 18.0153 k = 0.0455 0.4619 0.6450 ( 1040 PWs) bands (ev): -3.2453 -3.2420 -3.2241 -3.2220 -2.8483 -2.8425 -2.7237 -2.7204 -2.6076 -2.6061 2.3081 2.3089 5.0028 5.0042 9.4076 9.4460 9.9967 10.0433 12.1323 12.1576 13.8039 13.8249 17.3226 17.3429 17.9902 18.0039 k = 0.0379 0.4687 0.6394 ( 1038 PWs) bands (ev): -3.2446 -3.2419 -3.2241 -3.2224 -2.8478 -2.8429 -2.7233 -2.7205 -2.6075 -2.6062 2.2981 2.2988 4.9896 4.9907 9.4921 9.5244 10.1498 10.1924 11.9446 11.9692 13.7101 13.7276 17.3052 17.3219 17.9828 17.9940 k = 0.0303 0.4755 0.6338 ( 1036 PWs) bands (ev): -3.2440 -3.2418 -3.2241 -3.2227 -2.8472 -2.8433 -2.7230 -2.7207 -2.6074 -2.6064 2.2898 2.2904 4.9787 4.9796 9.5650 9.5911 10.3055 10.3440 11.7610 11.7849 13.6304 13.6445 17.2914 17.3045 17.9768 17.9857 k = 0.0227 0.4823 0.6282 ( 1038 PWs) bands (ev): -3.2435 -3.2418 -3.2241 -3.2230 -2.8467 -2.8438 -2.7226 -2.7209 -2.6073 -2.6065 2.2833 2.2838 4.9703 4.9710 9.6247 9.6443 10.4623 10.4966 11.5829 11.6063 13.5666 13.5771 17.2810 17.2907 17.9723 17.9789 k = 0.0152 0.4891 0.6226 ( 1042 PWs) bands (ev): -3.2431 -3.2420 -3.2240 -3.2233 -2.8462 -2.8443 -2.7223 -2.7212 -2.6072 -2.6067 2.2787 2.2790 4.9643 4.9648 9.6695 9.6826 10.6165 10.6460 11.4148 11.4370 13.5201 13.5272 17.2740 17.2805 17.9693 17.9737 k = 0.0076 0.4960 0.6170 ( 1040 PWs) bands (ev): -3.2426 -3.2421 -3.2239 -3.2235 -2.8457 -2.8447 -2.7220 -2.7214 -2.6071 -2.6068 2.2760 2.2761 4.9608 4.9610 9.6983 9.7048 10.7562 10.7775 11.2713 11.2890 13.4924 13.4960 17.2705 17.2737 17.9680 17.9702 k = 0.0000 0.5028 0.6114 ( 1040 PWs) bands (ev): -3.2423 -3.2423 -3.2237 -3.2237 -2.8452 -2.8452 -2.7217 -2.7217 -2.6069 -2.6069 2.2751 2.2751 4.9597 4.9597 9.7101 9.7101 10.8341 10.8341 11.2095 11.2095 13.4843 13.4843 17.2704 17.2704 17.9683 17.9683 k = 0.0000 0.5028 0.6114 ( 1040 PWs) bands (ev): -3.2423 -3.2423 -3.2237 -3.2237 -2.8452 -2.8452 -2.7217 -2.7217 -2.6069 -2.6069 2.2751 2.2751 4.9597 4.9597 9.7101 9.7101 10.8341 10.8341 11.2095 11.2095 13.4843 13.4843 17.2704 17.2704 17.9683 17.9683 k = 0.0087 0.5085 0.6067 ( 1040 PWs) bands (ev): -3.2424 -3.2422 -3.2241 -3.2234 -2.8455 -2.8449 -2.7218 -2.7217 -2.6071 -2.6070 2.2759 2.2760 4.9609 4.9610 9.6942 9.6947 10.8498 10.8515 11.1992 11.2003 13.4964 13.4965 17.1687 17.1732 18.0675 18.0728 k = 0.0174 0.5143 0.6019 ( 1040 PWs) bands (ev): -3.2424 -3.2420 -3.2245 -3.2231 -2.8459 -2.8446 -2.7219 -2.7218 -2.6073 -2.6072 2.2785 2.2787 4.9648 4.9648 9.6498 9.6506 10.8955 10.8992 11.1698 11.1725 13.5321 13.5323 16.9564 16.9622 18.2855 18.2930 k = 0.0261 0.5201 0.5972 ( 1044 PWs) bands (ev): -3.2424 -3.2418 -3.2250 -3.2229 -2.8463 -2.8444 -2.7222 -2.7220 -2.6078 -2.6075 2.2827 2.2831 4.9712 4.9712 9.5830 9.5840 10.9625 10.9702 11.1235 11.1299 13.5898 13.5900 16.7116 16.7176 18.5420 18.5507 k = 0.0348 0.5258 0.5924 ( 1042 PWs) bands (ev): -3.2423 -3.2416 -3.2255 -3.2227 -2.8466 -2.8442 -2.7224 -2.7222 -2.6084 -2.6080 2.2887 2.2893 4.9801 4.9802 9.5008 9.5019 11.0194 11.0423 11.0778 11.0991 13.6669 13.6672 16.4586 16.4645 18.8118 18.8213 k = 0.0435 0.5316 0.5877 ( 1038 PWs) bands (ev): -3.2422 -3.2412 -3.2261 -3.2226 -2.8470 -2.8439 -2.7228 -2.7225 -2.6091 -2.6087 2.2964 2.2971 4.9917 4.9917 9.4086 9.4098 10.9745 10.9824 11.1619 11.1681 13.7608 13.7612 16.2061 16.2118 19.0859 19.0961 k = 0.0522 0.5374 0.5830 ( 1034 PWs) bands (ev): -3.2420 -3.2409 -3.2267 -3.2225 -2.8474 -2.8437 -2.7231 -2.7228 -2.6100 -2.6094 2.3057 2.3064 5.0058 5.0058 9.3104 9.3116 10.8942 10.8986 11.2656 11.2682 13.8688 13.8693 15.9584 15.9638 19.3594 19.3704 k = 0.0609 0.5431 0.5782 ( 1036 PWs) bands (ev): -3.2418 -3.2405 -3.2273 -3.2225 -2.8478 -2.8436 -2.7236 -2.7233 -2.6110 -2.6104 2.3165 2.3174 5.0224 5.0224 9.2090 9.2101 10.8034 10.8065 11.3711 11.3722 13.9886 13.9891 15.7186 15.7237 19.6284 19.6401 k = 0.0696 0.5489 0.5735 ( 1034 PWs) bands (ev): -3.2416 -3.2401 -3.2279 -3.2225 -2.8483 -2.8435 -2.7241 -2.7238 -2.6122 -2.6115 2.3288 2.3298 5.0416 5.0417 9.1063 9.1072 10.7061 10.7084 11.4739 11.4744 14.1182 14.1187 15.4898 15.4946 19.8884 19.9008 k = 0.0783 0.5547 0.5687 ( 1035 PWs) bands (ev): -3.2414 -3.2397 -3.2286 -3.2226 -2.8487 -2.8434 -2.7247 -2.7243 -2.6135 -2.6127 2.3425 2.3436 5.0634 5.0635 9.0035 9.0043 10.6043 10.6062 11.5701 11.5701 14.2558 14.2564 15.2754 15.2800 20.1334 20.1467 k = 0.0869 0.5604 0.5640 ( 1035 PWs) bands (ev): -3.2412 -3.2393 -3.2293 -3.2227 -2.8492 -2.8434 -2.7253 -2.7249 -2.6149 -2.6140 2.3575 2.3587 5.0878 5.0879 8.9018 8.9024 10.4994 10.5010 11.6548 11.6550 14.3998 14.4006 15.0798 15.0841 20.3555 20.3694 k = 0.0956 0.5662 0.5593 ( 1035 PWs) bands (ev): -3.2410 -3.2390 -3.2298 -3.2229 -2.8497 -2.8434 -2.7259 -2.7256 -2.6164 -2.6155 2.3737 2.3749 5.1147 5.1148 8.8017 8.8021 10.3924 10.3939 11.7232 11.7236 14.5479 14.5491 14.9090 14.9127 20.5440 20.5583 k = 0.1043 0.5719 0.5545 ( 1035 PWs) bands (ev): -3.2408 -3.2389 -3.2303 -3.2230 -2.8502 -2.8434 -2.7265 -2.7262 -2.6181 -2.6170 2.3909 2.3923 5.1442 5.1444 8.7038 8.7041 10.2843 10.2856 11.7696 11.7702 14.6825 14.6863 14.7850 14.7860 20.6876 20.7018 k = 0.1130 0.5777 0.5498 ( 1041 PWs) bands (ev): -3.2407 -3.2389 -3.2306 -3.2233 -2.8507 -2.8435 -2.7272 -2.7269 -2.6198 -2.6187 2.4091 2.4105 5.1763 5.1765 8.6086 8.6087 10.1758 10.1769 11.7884 11.7890 14.6382 14.6432 14.8776 14.8781 20.7790 20.7924 k = 0.1217 0.5835 0.5450 ( 1040 PWs) bands (ev): -3.2407 -3.2392 -3.2306 -3.2234 -2.8512 -2.8436 -2.7278 -2.7276 -2.6217 -2.6205 2.4281 2.4295 5.2109 5.2113 8.5163 8.5165 10.0672 10.0683 11.7747 11.7753 14.5700 14.5745 15.0370 15.0371 20.8198 20.8321 k = 0.1304 0.5892 0.5403 ( 1042 PWs) bands (ev): -3.2408 -3.2398 -3.2304 -3.2235 -2.8516 -2.8438 -2.7285 -2.7283 -2.6236 -2.6223 2.4477 2.4492 5.2481 5.2486 8.4273 8.4277 9.9591 9.9601 11.7262 11.7268 14.5396 14.5438 15.2020 15.2022 20.8194 20.8304 k = 0.1391 0.5950 0.5356 ( 1044 PWs) bands (ev): -3.2410 -3.2405 -3.2300 -3.2235 -2.8521 -2.8440 -2.7291 -2.7290 -2.6256 -2.6243 2.4677 2.4692 5.2879 5.2885 8.3419 8.3426 9.8518 9.8527 11.6433 11.6438 14.5488 14.5529 15.3702 15.3704 20.7896 20.7994 k = 0.1478 0.6008 0.5308 ( 1045 PWs) bands (ev): -3.2417 -3.2412 -3.2294 -3.2235 -2.8525 -2.8442 -2.7297 -2.7296 -2.6277 -2.6263 2.4880 2.4895 5.3302 5.3310 8.2604 8.2614 9.7455 9.7464 11.5295 11.5299 14.5945 14.5984 15.5406 15.5409 20.7404 20.7493 k = 0.1565 0.6065 0.5261 ( 1045 PWs) bands (ev): -3.2428 -3.2418 -3.2286 -3.2233 -2.8529 -2.8444 -2.7304 -2.7302 -2.6298 -2.6283 2.5084 2.5099 5.3751 5.3760 8.1830 8.1843 9.6406 9.6414 11.3898 11.3901 14.6717 14.6755 15.7127 15.7130 20.6794 20.6874 k = 0.1652 0.6123 0.5213 ( 1045 PWs) bands (ev): -3.2441 -3.2425 -3.2277 -3.2231 -2.8533 -2.8447 -2.7310 -2.7308 -2.6320 -2.6305 2.5286 2.5301 5.4226 5.4237 8.1099 8.1116 9.5372 9.5380 11.2297 11.2298 14.7749 14.7787 15.8860 15.8863 20.6114 20.6187 k = 0.1739 0.6181 0.5166 ( 1042 PWs) bands (ev): -3.2455 -3.2433 -3.2268 -3.2227 -2.8537 -2.8450 -2.7315 -2.7313 -2.6342 -2.6326 2.5484 2.5499 5.4726 5.4739 8.0414 8.0434 9.4355 9.4362 11.0542 11.0543 14.8989 14.9027 16.0600 16.0603 20.5397 20.5465 k = 0.1826 0.6238 0.5119 ( 1044 PWs) bands (ev): -3.2469 -3.2444 -3.2258 -3.2222 -2.8540 -2.8453 -2.7320 -2.7317 -2.6365 -2.6349 2.5676 2.5691 5.5251 5.5266 7.9775 7.9800 9.3356 9.3363 10.8674 10.8678 15.0395 15.0432 16.2342 16.2346 20.4668 20.4731 k = 0.1913 0.6296 0.5071 ( 1044 PWs) bands (ev): -3.2485 -3.2456 -3.2248 -3.2216 -2.8543 -2.8457 -2.7325 -2.7321 -2.6388 -2.6372 2.5859 2.5873 5.5801 5.5819 7.9186 7.9215 9.2376 9.2383 10.6730 10.6737 15.1931 15.1968 16.4083 16.4087 20.3943 20.4003 k = 0.2000 0.6353 0.5024 ( 1044 PWs) bands (ev): -3.2501 -3.2470 -3.2237 -3.2210 -2.8545 -2.8460 -2.7329 -2.7325 -2.6411 -2.6395 2.6031 2.6045 5.6376 5.6396 7.8647 7.8682 9.1416 9.1423 10.4737 10.4747 15.3568 15.3605 16.5818 16.5821 20.3234 20.3291 k = 0.2087 0.6411 0.4976 ( 1040 PWs) bands (ev): -3.2517 -3.2485 -3.2226 -3.2202 -2.8546 -2.8464 -2.7332 -2.7328 -2.6434 -2.6419 2.6188 2.6202 5.6976 5.6998 7.8161 7.8201 9.0478 9.0485 10.2715 10.2729 15.5284 15.5321 16.7541 16.7545 20.2553 20.2608 k = 0.2174 0.6469 0.4929 ( 1042 PWs) bands (ev): -3.2534 -3.2501 -3.2215 -3.2195 -2.8547 -2.8468 -2.7335 -2.7330 -2.6458 -2.6443 2.6329 2.6341 5.7599 5.7625 7.7728 7.7774 8.9562 8.9568 10.0682 10.0699 15.7060 15.7096 16.9247 16.9251 20.1908 20.1960 k = 0.2261 0.6526 0.4882 ( 1041 PWs) bands (ev): -3.2551 -3.2518 -3.2204 -3.2186 -2.8548 -2.8472 -2.7338 -2.7332 -2.6482 -2.6467 2.6450 2.6461 5.8247 5.8275 7.7350 7.7402 8.8668 8.8674 9.8652 9.8673 15.8878 15.8914 17.0931 17.0935 20.1309 20.1359 k = 0.2348 0.6584 0.4834 ( 1041 PWs) bands (ev): -3.2569 -3.2536 -3.2192 -3.2178 -2.8548 -2.8476 -2.7339 -2.7334 -2.6506 -2.6492 2.6548 2.6558 5.8917 5.8949 7.7026 7.7085 8.7797 8.7803 9.6636 9.6662 16.0724 16.0759 17.2587 17.2591 20.0764 20.0811 k = 0.2435 0.6642 0.4787 ( 1041 PWs) bands (ev): -3.2586 -3.2555 -3.2181 -3.2169 -2.8547 -2.8480 -2.7340 -2.7335 -2.6530 -2.6517 2.6620 2.6630 5.9609 5.9644 7.6757 7.6823 8.6950 8.6956 9.4647 9.4677 16.2583 16.2617 17.4209 17.4213 20.0282 20.0327 k = 0.2521 0.6699 0.4739 ( 1039 PWs) bands (ev): -3.2604 -3.2575 -3.2169 -3.2159 -2.8545 -2.8484 -2.7340 -2.7335 -2.6554 -2.6542 2.6664 2.6673 6.0322 6.0360 7.6541 7.6615 8.6127 8.6133 9.2694 9.2730 16.4440 16.4473 17.5790 17.5794 19.9876 19.9918 k = 0.2608 0.6757 0.4692 ( 1039 PWs) bands (ev): -3.2621 -3.2595 -3.2158 -3.2150 -2.8543 -2.8488 -2.7340 -2.7335 -2.6579 -2.6567 2.6676 2.6684 6.1055 6.1096 7.6376 7.6458 8.5328 8.5333 9.0790 9.0832 16.6279 16.6310 17.7324 17.7328 19.9557 19.9597 k = 0.2695 0.6815 0.4645 ( 1041 PWs) bands (ev): -3.2638 -3.2615 -3.2147 -3.2140 -2.8540 -2.8491 -2.7340 -2.7335 -2.6603 -2.6593 2.6654 2.6661 6.1806 6.1849 7.6256 7.6346 8.4552 8.4557 8.8949 8.8997 16.8082 16.8111 17.8805 17.8809 19.9341 19.9377 k = 0.2782 0.6872 0.4597 ( 1041 PWs) bands (ev): -3.2655 -3.2635 -3.2136 -3.2131 -2.8536 -2.8495 -2.7339 -2.7335 -2.6627 -2.6618 2.6596 2.6601 6.2572 6.2616 7.6172 7.6269 8.3798 8.3802 8.7192 8.7246 16.9829 16.9855 18.0225 18.0229 19.9245 19.9278 k = 0.2869 0.6930 0.4550 ( 1041 PWs) bands (ev): -3.2672 -3.2655 -3.2125 -3.2121 -2.8531 -2.8497 -2.7337 -2.7334 -2.6652 -2.6644 2.6498 2.6502 6.3349 6.3393 7.6107 7.6210 8.3064 8.3067 8.5547 8.5606 17.1498 17.1521 18.1580 18.1583 19.9289 19.9318 k = 0.2956 0.6987 0.4502 ( 1043 PWs) bands (ev): -3.2688 -3.2675 -3.2115 -3.2112 -2.8526 -2.8500 -2.7336 -2.7333 -2.6676 -2.6670 2.6358 2.6361 6.4131 6.4172 7.6034 7.6137 8.2343 8.2345 8.4065 8.4124 17.3064 17.3083 18.2861 18.2864 19.9496 19.9519 k = 0.3043 0.7045 0.4455 ( 1041 PWs) bands (ev): -3.2703 -3.2695 -3.2105 -3.2102 -2.8520 -2.8502 -2.7333 -2.7331 -2.6700 -2.6696 2.6174 2.6176 6.4909 6.4943 7.5908 7.5999 8.1620 8.1626 8.2821 8.2871 17.4505 17.4518 18.4066 18.4068 19.9889 19.9905 k = 0.3130 0.7103 0.4408 ( 1041 PWs) bands (ev): -3.2718 -3.2714 -3.2095 -3.2093 -2.8513 -2.8504 -2.7331 -2.7329 -2.6724 -2.6721 2.5945 2.5946 6.5666 6.5688 7.5666 7.5724 8.0907 8.0917 8.1896 8.1923 17.5798 17.5805 18.5189 18.5191 20.0487 20.0496 k = 0.3217 0.7160 0.4360 ( 1039 PWs) bands (ev): -3.2733 -3.2731 -3.2085 -3.2084 -2.8506 -2.8505 -2.7328 -2.7327 -2.6748 -2.6747 2.5667 2.5668 6.6374 6.6375 7.5263 7.5263 8.0276 8.0279 8.1297 8.1299 17.6925 17.6927 18.6228 18.6230 20.1306 20.1306 k = 0.3217 0.7160 0.4360 ( 1039 PWs) bands (ev): -3.2733 -3.2731 -3.2085 -3.2084 -2.8506 -2.8505 -2.7328 -2.7327 -2.6748 -2.6747 2.5667 2.5668 6.6374 6.6375 7.5263 7.5263 8.0276 8.0279 8.1297 8.1299 17.6925 17.6927 18.6228 18.6230 20.1306 20.1306 k = 0.3259 0.7123 0.4259 ( 1043 PWs) bands (ev): -3.2768 -3.2766 -3.2066 -3.2064 -2.8498 -2.8498 -2.7323 -2.7322 -2.6801 -2.6800 2.5000 2.5000 6.7738 6.7740 7.4173 7.4174 7.9044 7.9046 8.0435 8.0437 17.9160 17.9161 18.8369 18.8370 20.3306 20.3306 k = 0.3300 0.7086 0.4157 ( 1039 PWs) bands (ev): -3.2805 -3.2803 -3.2047 -3.2045 -2.8490 -2.8489 -2.7319 -2.7317 -2.6852 -2.6851 2.4298 2.4298 6.8943 6.8945 7.3108 7.3110 7.7824 7.7825 7.9861 7.9862 18.1418 18.1419 19.0529 19.0531 20.5337 20.5337 k = 0.3341 0.7048 0.4056 ( 1039 PWs) bands (ev): -3.2844 -3.2843 -3.2029 -3.2028 -2.8481 -2.8481 -2.7315 -2.7313 -2.6903 -2.6901 2.3572 2.3572 6.9817 6.9821 7.2083 7.2087 7.6620 7.6621 7.9716 7.9717 18.3698 18.3699 19.2707 19.2708 20.7395 20.7395 k = 0.3383 0.7011 0.3955 ( 1031 PWs) bands (ev): -3.2885 -3.2884 -3.2012 -3.2011 -2.8472 -2.8472 -2.7313 -2.7311 -2.6949 -2.6947 2.2830 2.2830 7.0136 7.0145 7.1174 7.1184 7.5434 7.5435 8.0138 8.0138 18.6000 18.6001 19.4901 19.4902 20.9480 20.9480 k = 0.3424 0.6974 0.3853 ( 1031 PWs) bands (ev): -3.2929 -3.2928 -3.1998 -3.1997 -2.8463 -2.8463 -2.7315 -2.7313 -2.6989 -2.6987 2.2079 2.2079 6.9657 6.9667 7.0608 7.0618 7.4269 7.4270 8.1140 8.1141 18.8322 18.8324 19.7109 19.7110 21.1586 21.1586 k = 0.3466 0.6936 0.3752 ( 1029 PWs) bands (ev): -3.2975 -3.2974 -3.1986 -3.1985 -2.8454 -2.8454 -2.7324 -2.7322 -2.7019 -2.7018 2.1324 2.1325 6.8763 6.8769 7.0116 7.0122 7.3127 7.3127 8.2604 8.2604 19.0664 19.0665 19.9329 19.9331 21.3713 21.3713 k = 0.3507 0.6899 0.3650 ( 1029 PWs) bands (ev): -3.3023 -3.3022 -3.1977 -3.1976 -2.8445 -2.8445 -2.7342 -2.7340 -2.7038 -2.7037 2.0572 2.0572 6.7808 6.7813 6.9479 6.9483 7.2009 7.2009 8.4380 8.4381 19.3024 19.3025 20.1560 20.1561 21.5855 21.5855 k = 0.3549 0.6862 0.3549 ( 1037 PWs) bands (ev): -3.3074 -3.3073 -3.1971 -3.1970 -2.8438 -2.8437 -2.7368 -2.7366 -2.7045 -2.7043 1.9825 1.9825 6.6853 6.6856 6.8738 6.8742 7.0916 7.0916 8.6364 8.6365 19.5400 19.5402 20.3799 20.3800 21.8008 21.8009 k = 0.3590 0.6825 0.3448 ( 1037 PWs) bands (ev): -3.3127 -3.3126 -3.1968 -3.1967 -2.8430 -2.8429 -2.7400 -2.7399 -2.7039 -2.7038 1.9087 1.9087 6.5911 6.5914 6.7943 6.7946 6.9849 6.9850 8.8492 8.8492 19.7792 19.7794 20.6044 20.6045 22.0172 22.0172 k = 0.3632 0.6787 0.3346 ( 1033 PWs) bands (ev): -3.3181 -3.3180 -3.1968 -3.1967 -2.8422 -2.8422 -2.7436 -2.7435 -2.7025 -2.7024 1.8361 1.8361 6.4987 6.4990 6.7122 6.7125 6.8809 6.8809 9.0725 9.0725 20.0197 20.0199 20.8292 20.8293 22.2339 22.2339 k = 0.3673 0.6750 0.3245 ( 1033 PWs) bands (ev): -3.3237 -3.3237 -3.1973 -3.1972 -2.8415 -2.8415 -2.7474 -2.7473 -2.7004 -2.7003 1.7648 1.7648 6.4083 6.4086 6.6295 6.6297 6.7796 6.7796 9.3040 9.3040 20.2614 20.2615 21.0540 21.0542 22.4503 22.4503 k = 0.3715 0.6713 0.3143 ( 1029 PWs) bands (ev): -3.3295 -3.3294 -3.1982 -3.1981 -2.8408 -2.8408 -2.7511 -2.7510 -2.6978 -2.6977 1.6951 1.6951 6.3201 6.3204 6.5473 6.5475 6.6810 6.6810 9.5421 9.5421 20.5039 20.5040 21.2785 21.2787 22.6657 22.6657 k = 0.3756 0.6675 0.3042 ( 1030 PWs) bands (ev): -3.3355 -3.3354 -3.1995 -3.1994 -2.8403 -2.8402 -2.7546 -2.7545 -2.6947 -2.6947 1.6271 1.6271 6.2342 6.2344 6.4664 6.4666 6.5852 6.5853 9.7860 9.7860 20.7469 20.7471 21.5024 21.5026 22.8793 22.8794 k = 0.3798 0.6638 0.2941 ( 1030 PWs) bands (ev): -3.3416 -3.3415 -3.2013 -3.2012 -2.8398 -2.8397 -2.7578 -2.7578 -2.6914 -2.6913 1.5609 1.5609 6.1506 6.1508 6.3872 6.3874 6.4923 6.4923 10.0347 10.0348 20.9902 20.9904 21.7251 21.7253 23.0902 23.0902 k = 0.3839 0.6601 0.2839 ( 1024 PWs) bands (ev): -3.3477 -3.3477 -3.2034 -3.2033 -2.8393 -2.8392 -2.7607 -2.7606 -2.6877 -2.6876 1.4967 1.4967 6.0694 6.0696 6.3101 6.3102 6.4022 6.4022 10.2879 10.2880 21.2333 21.2335 21.9464 21.9466 23.2970 23.2971 k = 0.3880 0.6563 0.2738 ( 1022 PWs) bands (ev): -3.3541 -3.3540 -3.2061 -3.2060 -2.8389 -2.8389 -2.7631 -2.7631 -2.6838 -2.6837 1.4344 1.4344 5.9906 5.9908 6.2352 6.2353 6.3150 6.3151 10.5451 10.5451 21.4757 21.4759 22.1657 22.1659 23.4985 23.4985 k = 0.3922 0.6526 0.2636 ( 1022 PWs) bands (ev): -3.3605 -3.3604 -3.2092 -3.2091 -2.8386 -2.8386 -2.7652 -2.7652 -2.6797 -2.6796 1.3743 1.3743 5.9144 5.9145 6.1627 6.1629 6.2308 6.2308 10.8059 10.8059 21.7167 21.7170 22.3823 22.3826 23.6929 23.6930 k = 0.3963 0.6489 0.2535 ( 1018 PWs) bands (ev): -3.3669 -3.3668 -3.2127 -3.2126 -2.8383 -2.8383 -2.7669 -2.7668 -2.6754 -2.6754 1.3163 1.3163 5.8406 5.8408 6.0928 6.0929 6.1495 6.1495 11.0701 11.0701 21.9556 21.9559 22.5959 22.5961 23.8786 23.8786 k = 0.4005 0.6451 0.2434 ( 1020 PWs) bands (ev): -3.3734 -3.3733 -3.2166 -3.2165 -2.8381 -2.8381 -2.7682 -2.7681 -2.6710 -2.6710 1.2605 1.2605 5.7695 5.7696 6.0254 6.0255 6.0712 6.0713 11.3373 11.3373 22.1913 22.1916 22.8055 22.8058 24.0534 24.0534 k = 0.4046 0.6414 0.2332 ( 1024 PWs) bands (ev): -3.3799 -3.3799 -3.2209 -3.2208 -2.8380 -2.8380 -2.7690 -2.7690 -2.6665 -2.6665 1.2069 1.2070 5.7009 5.7011 5.9607 5.9608 5.9960 5.9961 11.6073 11.6073 22.4227 22.4229 23.0106 23.0109 24.2153 24.2153 k = 0.4088 0.6377 0.2231 ( 1024 PWs) bands (ev): -3.3864 -3.3864 -3.2254 -3.2253 -2.8379 -2.8379 -2.7694 -2.7694 -2.6619 -2.6619 1.1556 1.1557 5.6350 5.6352 5.8984 5.8985 5.9241 5.9242 11.8799 11.8799 22.6479 22.6481 23.2104 23.2107 24.3625 24.3626 k = 0.4129 0.6339 0.2129 ( 1020 PWs) bands (ev): -3.3929 -3.3928 -3.2302 -3.2301 -2.8378 -2.8378 -2.7695 -2.7694 -2.6573 -2.6573 1.1066 1.1066 5.5719 5.5720 5.8382 5.8384 5.8557 5.8559 12.1549 12.1549 22.8647 22.8650 23.4039 23.4041 24.4936 24.4937 k = 0.4171 0.6302 0.2028 ( 1020 PWs) bands (ev): -3.3993 -3.3992 -3.2352 -3.2352 -2.8378 -2.8378 -2.7692 -2.7691 -2.6527 -2.6527 1.0599 1.0599 5.5114 5.5115 5.7792 5.7794 5.7921 5.7924 12.4319 12.4320 23.0702 23.0704 23.5898 23.5900 24.6077 24.6077 k = 0.4212 0.6265 0.1927 ( 1016 PWs) bands (ev): -3.4056 -3.4055 -3.2404 -3.2404 -2.8378 -2.8378 -2.7685 -2.7685 -2.6480 -2.6480 1.0155 1.0155 5.4536 5.4537 5.7198 5.7200 5.7348 5.7350 12.7108 12.7109 23.2602 23.2605 23.7665 23.7668 24.7047 24.7048 k = 0.4254 0.6227 0.1825 ( 1016 PWs) bands (ev): -3.4117 -3.4117 -3.2457 -3.2457 -2.8379 -2.8379 -2.7677 -2.7677 -2.6435 -2.6435 0.9734 0.9734 5.3987 5.3988 5.6611 5.6612 5.6827 5.6829 12.9913 12.9913 23.4294 23.4296 23.9319 23.9322 24.7854 24.7855 k = 0.4295 0.6190 0.1724 ( 1018 PWs) bands (ev): -3.4178 -3.4178 -3.2511 -3.2511 -2.8380 -2.8380 -2.7666 -2.7666 -2.6390 -2.6390 0.9336 0.9336 5.3466 5.3466 5.6047 5.6048 5.6341 5.6343 13.2729 13.2729 23.5696 23.5698 24.0832 24.0834 24.8512 24.8512 k = 0.4337 0.6153 0.1622 ( 1020 PWs) bands (ev): -3.4237 -3.4236 -3.2566 -3.2565 -2.8381 -2.8381 -2.7653 -2.7653 -2.6346 -2.6346 0.8961 0.8961 5.2972 5.2973 5.5511 5.5512 5.5887 5.5888 13.5553 13.5553 23.6698 23.6700 24.2180 24.2182 24.9037 24.9037 k = 0.4378 0.6116 0.1521 ( 1018 PWs) bands (ev): -3.4293 -3.4293 -3.2619 -3.2618 -2.8383 -2.8383 -2.7639 -2.7638 -2.6304 -2.6304 0.8609 0.8609 5.2508 5.2509 5.5006 5.5007 5.5462 5.5463 13.8382 13.8382 23.7159 23.7160 24.3360 24.3360 24.9448 24.9448 k = 0.4420 0.6078 0.1420 ( 1022 PWs) bands (ev): -3.4348 -3.4347 -3.2671 -3.2671 -2.8385 -2.8384 -2.7623 -2.7623 -2.6263 -2.6263 0.8281 0.8281 5.2072 5.2073 5.4532 5.4533 5.5065 5.5065 14.1208 14.1208 23.6949 23.6950 24.4396 24.4396 24.9762 24.9762 k = 0.4461 0.6041 0.1318 ( 1022 PWs) bands (ev): -3.4400 -3.4399 -3.2722 -3.2722 -2.8386 -2.8386 -2.7607 -2.7607 -2.6224 -2.6224 0.7976 0.7976 5.1666 5.1666 5.4089 5.4090 5.4696 5.4697 14.4027 14.4027 23.6036 23.6037 24.5325 24.5326 24.9998 24.9998 k = 0.4502 0.6004 0.1217 ( 1022 PWs) bands (ev): -3.4449 -3.4448 -3.2771 -3.2771 -2.8388 -2.8388 -2.7590 -2.7590 -2.6186 -2.6186 0.7693 0.7693 5.1288 5.1289 5.3679 5.3679 5.4355 5.4355 14.6830 14.6830 23.4514 23.4515 24.6167 24.6168 25.0175 25.0176 k = 0.4544 0.5966 0.1115 ( 1024 PWs) bands (ev): -3.4495 -3.4495 -3.2818 -3.2817 -2.8390 -2.8390 -2.7574 -2.7574 -2.6151 -2.6151 0.7434 0.7434 5.0940 5.0941 5.3300 5.3300 5.4042 5.4042 14.9607 14.9607 23.2543 23.2543 24.6923 24.6924 25.0312 25.0313 k = 0.4585 0.5929 0.1014 ( 1024 PWs) bands (ev): -3.4538 -3.4538 -3.2862 -3.2861 -2.8392 -2.8391 -2.7558 -2.7558 -2.6118 -2.6118 0.7198 0.7198 5.0622 5.0623 5.2954 5.2954 5.3756 5.3756 15.2345 15.2345 23.0283 23.0284 24.7585 24.7586 25.0426 25.0426 k = 0.4627 0.5892 0.0913 ( 1024 PWs) bands (ev): -3.4578 -3.4578 -3.2902 -3.2902 -2.8393 -2.8393 -2.7542 -2.7542 -2.6088 -2.6088 0.6984 0.6984 5.0334 5.0334 5.2640 5.2640 5.3498 5.3498 15.5029 15.5029 22.7863 22.7863 24.8147 24.8147 25.0530 25.0531 k = 0.4668 0.5854 0.0811 ( 1024 PWs) bands (ev): -3.4614 -3.4614 -3.2940 -3.2940 -2.8395 -2.8395 -2.7527 -2.7527 -2.6061 -2.6061 0.6793 0.6793 5.0075 5.0076 5.2359 5.2359 5.3267 5.3268 15.7637 15.7637 22.5381 22.5382 24.8603 24.8604 25.0639 25.0639 k = 0.4710 0.5817 0.0710 ( 1020 PWs) bands (ev): -3.4646 -3.4646 -3.2973 -3.2973 -2.8396 -2.8396 -2.7513 -2.7513 -2.6036 -2.6036 0.6625 0.6625 4.9847 4.9847 5.2111 5.2111 5.3064 5.3064 16.0143 16.0143 22.2917 22.2918 24.8954 24.8954 25.0760 25.0761 k = 0.4751 0.5780 0.0608 ( 1024 PWs) bands (ev): -3.4674 -3.4674 -3.3003 -3.3003 -2.8397 -2.8397 -2.7501 -2.7501 -2.6014 -2.6014 0.6479 0.6479 4.9649 4.9649 5.1895 5.1895 5.2888 5.2888 16.2511 16.2511 22.0540 22.0541 24.9206 24.9207 25.0897 25.0897 k = 0.4793 0.5742 0.0507 ( 1022 PWs) bands (ev): -3.4698 -3.4698 -3.3029 -3.3028 -2.8398 -2.8398 -2.7490 -2.7490 -2.5996 -2.5995 0.6356 0.6356 4.9481 4.9481 5.1713 5.1713 5.2739 5.2739 16.4697 16.4697 21.8321 21.8321 24.9376 24.9377 25.1040 25.1041 k = 0.4834 0.5705 0.0406 ( 1018 PWs) bands (ev): -3.4718 -3.4718 -3.3049 -3.3049 -2.8399 -2.8399 -2.7481 -2.7481 -2.5980 -2.5980 0.6255 0.6255 4.9343 4.9343 5.1563 5.1563 5.2617 5.2617 16.6642 16.6643 21.6332 21.6332 24.9485 24.9486 25.1177 25.1178 k = 0.4876 0.5668 0.0304 ( 1018 PWs) bands (ev): -3.4734 -3.4734 -3.3066 -3.3066 -2.8400 -2.8400 -2.7474 -2.7474 -2.5968 -2.5968 0.6177 0.6177 4.9236 4.9236 5.1447 5.1447 5.2522 5.2523 16.8279 16.8279 21.4652 21.4652 24.9553 24.9553 25.1295 25.1295 k = 0.4917 0.5630 0.0203 ( 1018 PWs) bands (ev): -3.4745 -3.4745 -3.3078 -3.3077 -2.8400 -2.8400 -2.7469 -2.7469 -2.5959 -2.5959 0.6121 0.6121 4.9160 4.9160 5.1364 5.1364 5.2455 5.2455 16.9528 16.9528 21.3366 21.3366 24.9592 24.9592 25.1384 25.1384 k = 0.4959 0.5593 0.0101 ( 1018 PWs) bands (ev): -3.4752 -3.4752 -3.3085 -3.3085 -2.8401 -2.8401 -2.7466 -2.7466 -2.5954 -2.5954 0.6088 0.6088 4.9114 4.9114 5.1314 5.1314 5.2414 5.2414 17.0316 17.0316 21.2555 21.2555 24.9612 24.9612 25.1439 25.1439 k = 0.5000 0.5556-0.0000 ( 1018 PWs) bands (ev): -3.4754 -3.4754 -3.3087 -3.3087 -2.8401 -2.8401 -2.7465 -2.7465 -2.5952 -2.5952 0.6077 0.6077 4.9099 4.9099 5.1297 5.1297 5.2401 5.2401 17.0586 17.0586 21.2277 21.2277 24.9618 24.9618 25.1457 25.1457 k = 0.5000 0.5556-0.0000 ( 1018 PWs) bands (ev): -3.4754 -3.4754 -3.3087 -3.3087 -2.8401 -2.8401 -2.7465 -2.7465 -2.5952 -2.5952 0.6077 0.6077 4.9099 4.9099 5.1297 5.1297 5.2401 5.2401 17.0586 17.0586 21.2277 21.2277 24.9618 24.9618 25.1457 25.1457 k = 0.4922 0.5469-0.0000 ( 1018 PWs) bands (ev): -3.4753 -3.4749 -3.3088 -3.3086 -2.8404 -2.8398 -2.7465 -2.7464 -2.5953 -2.5953 0.6035 0.6036 4.8673 4.8693 5.1297 5.1302 5.2904 5.2920 17.0597 17.0599 21.2275 21.2279 24.9441 24.9507 25.1329 25.1381 k = 0.4844 0.5382-0.0000 ( 1018 PWs) bands (ev): -3.4747 -3.4738 -3.3089 -3.3085 -2.8408 -2.8397 -2.7466 -2.7464 -2.5954 -2.5953 0.5911 0.5914 4.7803 4.7830 5.1334 5.1339 5.4026 5.4050 17.0631 17.0634 21.2274 21.2282 24.8971 24.9093 25.1015 25.1112 k = 0.4766 0.5295-0.0000 ( 1018 PWs) bands (ev): -3.4736 -3.4722 -3.3089 -3.3084 -2.8412 -2.8396 -2.7466 -2.7464 -2.5956 -2.5954 0.5707 0.5712 4.6844 4.6873 5.1407 5.1411 5.5399 5.5427 17.0689 17.0693 21.2272 21.2284 24.8200 24.8361 25.0555 25.0680 k = 0.4688 0.5209-0.0000 ( 1016 PWs) bands (ev): -3.4719 -3.4700 -3.3090 -3.3083 -2.8416 -2.8395 -2.7467 -2.7464 -2.5958 -2.5956 0.5423 0.5430 4.5909 4.5938 5.1513 5.1517 5.6911 5.6940 17.0769 17.0776 21.2267 21.2284 24.7135 24.7314 24.9981 25.0116 k = 0.4609 0.5122 0.0000 ( 1014 PWs) bands (ev): -3.4696 -3.4672 -3.3091 -3.3082 -2.8422 -2.8395 -2.7468 -2.7464 -2.5960 -2.5958 0.5062 0.5070 4.5036 4.5064 5.1650 5.1654 5.8523 5.8553 17.0873 17.0881 21.2255 21.2276 24.5801 24.5983 24.9302 24.9435 k = 0.4531 0.5035-0.0000 ( 1016 PWs) bands (ev): -3.4668 -3.4640 -3.3092 -3.3081 -2.8428 -2.8396 -2.7469 -2.7465 -2.5963 -2.5962 0.4627 0.4637 4.4238 4.4266 5.1818 5.1822 6.0218 6.0249 17.0999 17.1009 21.2230 21.2257 24.4238 24.4415 24.8521 24.8646 k = 0.4453 0.4948-0.0000 ( 1016 PWs) bands (ev): -3.4636 -3.4603 -3.3092 -3.3080 -2.8434 -2.8397 -2.7471 -2.7465 -2.5967 -2.5965 0.4121 0.4132 4.3522 4.3549 5.2017 5.2020 6.1987 6.2018 17.1148 17.1160 21.2187 21.2220 24.2491 24.2658 24.7638 24.7754 k = 0.4375 0.4861 0.0000 ( 1016 PWs) bands (ev): -3.4598 -3.4560 -3.3093 -3.3079 -2.8440 -2.8398 -2.7472 -2.7466 -2.5971 -2.5969 0.3548 0.3560 4.2890 4.2917 5.2246 5.2249 6.3822 6.3854 17.1319 17.1334 21.2115 21.2155 24.0604 24.0760 24.6656 24.6763 k = 0.4297 0.4775 0.0000 ( 1016 PWs) bands (ev): -3.4554 -3.4512 -3.3094 -3.3078 -2.8447 -2.8400 -2.7474 -2.7467 -2.5976 -2.5974 0.2912 0.2926 4.2343 4.2369 5.2504 5.2508 6.5720 6.5752 17.1513 17.1530 21.2001 21.2049 23.8623 23.8766 24.5579 24.5677 k = 0.4219 0.4688-0.0000 ( 1020 PWs) bands (ev): -3.4507 -3.4461 -3.3095 -3.3078 -2.8454 -2.8402 -2.7476 -2.7468 -2.5981 -2.5979 0.2218 0.2234 4.1880 4.1905 5.2793 5.2797 6.7677 6.7708 17.1727 17.1748 21.1825 21.1883 23.6593 23.6722 24.4411 24.4503 k = 0.4141 0.4601-0.0000 ( 1024 PWs) bands (ev): -3.4456 -3.4405 -3.3096 -3.3077 -2.8461 -2.8405 -2.7478 -2.7470 -2.5986 -2.5985 0.1472 0.1490 4.1498 4.1523 5.3112 5.3115 6.9688 6.9720 17.1963 17.1987 21.1566 21.1635 23.4561 23.4675 24.3157 24.3243 k = 0.4062 0.4514-0.0000 ( 1024 PWs) bands (ev): -3.4400 -3.4345 -3.3097 -3.3076 -2.8469 -2.8408 -2.7480 -2.7471 -2.5992 -2.5991 0.0679 0.0698 4.1195 4.1219 5.3459 5.3463 7.1753 7.1785 17.2220 17.2248 21.1190 21.1273 23.2578 23.2678 24.1823 24.1904 k = 0.3984 0.4427 0.0000 ( 1024 PWs) bands (ev): -3.4341 -3.4281 -3.3097 -3.3074 -2.8476 -2.8410 -2.7482 -2.7472 -2.5998 -2.5997 -0.0155 -0.0135 4.0969 4.0992 5.3837 5.3840 7.3867 7.3899 17.2497 17.2530 21.0659 21.0757 23.0703 23.0785 24.0411 24.0489 k = 0.3906 0.4340-0.0000 ( 1028 PWs) bands (ev): -3.4278 -3.4213 -3.3098 -3.3073 -2.8483 -2.8413 -2.7484 -2.7474 -2.6005 -2.6004 -0.1026 -0.1004 4.0815 4.0838 5.4243 5.4246 7.6030 7.6062 17.2793 17.2832 20.9925 21.0041 22.8992 22.9058 23.8925 23.9000 k = 0.3828 0.4254 0.0000 ( 1028 PWs) bands (ev): -3.4212 -3.4142 -3.3098 -3.3071 -2.8490 -2.8416 -2.7487 -2.7475 -2.6012 -2.6011 -0.1927 -0.1904 4.0732 4.0754 5.4677 5.4681 7.8238 7.8270 17.3109 17.3154 20.8948 20.9082 22.7504 22.7553 23.7368 23.7441 k = 0.3750 0.4167 0.0000 ( 1030 PWs) bands (ev): -3.4143 -3.4069 -3.3099 -3.3070 -2.8496 -2.8419 -2.7489 -2.7477 -2.6019 -2.6017 -0.2853 -0.2829 4.0714 4.0736 5.5140 5.5144 8.0490 8.0523 17.3442 17.3496 20.7691 20.7844 22.6277 22.6313 23.5742 23.5815 k = 0.3672 0.4080-0.0000 ( 1030 PWs) bands (ev): -3.4071 -3.3992 -3.3100 -3.3069 -2.8502 -2.8422 -2.7492 -2.7479 -2.6027 -2.6023 -0.3800 -0.3774 4.0761 4.0782 5.5631 5.5635 8.2785 8.2818 17.3793 17.3856 20.6149 20.6319 22.5330 22.5356 23.4049 23.4123 k = 0.3594 0.3993 0.0000 ( 1034 PWs) bands (ev): -3.3997 -3.3914 -3.3101 -3.3068 -2.8507 -2.8424 -2.7494 -2.7481 -2.6035 -2.6030 -0.4763 -0.4736 4.0867 4.0888 5.6150 5.6154 8.5121 8.5153 17.4160 17.4234 20.4339 20.4525 22.4650 22.4671 23.2292 23.2368 k = 0.3516 0.3906-0.0000 ( 1030 PWs) bands (ev): -3.3920 -3.3833 -3.3101 -3.3066 -2.8511 -2.8426 -2.7497 -2.7482 -2.6043 -2.6036 -0.5737 -0.5709 4.1031 4.1052 5.6696 5.6700 8.7496 8.7528 17.4542 17.4630 20.2298 20.2498 22.4206 22.4230 23.0472 23.0555 k = 0.3438 0.3820 0.0000 ( 1030 PWs) bands (ev): -3.3843 -3.3752 -3.3102 -3.3065 -2.8515 -2.8427 -2.7499 -2.7484 -2.6051 -2.6043 -0.6719 -0.6690 4.1251 4.1270 5.7269 5.7273 8.9908 8.9941 17.4938 17.5042 20.0070 20.0285 22.3953 22.3990 22.8592 22.8689 k = 0.3359 0.3733-0.0000 ( 1030 PWs) bands (ev): -3.3764 -3.3669 -3.3103 -3.3063 -2.8518 -2.8427 -2.7502 -2.7487 -2.6060 -2.6050 -0.7705 -0.7674 4.1523 4.1542 5.7868 5.7873 9.2358 9.2391 17.5345 17.5470 19.7696 19.7929 22.3838 22.3913 22.6657 22.6791 k = 0.3281 0.3646 0.0000 ( 1034 PWs) bands (ev): -3.3685 -3.3586 -3.3104 -3.3062 -2.8520 -2.8428 -2.7506 -2.7489 -2.6069 -2.6056 -0.8691 -0.8660 4.1845 4.1864 5.8493 5.8498 9.4843 9.4876 17.5760 17.5912 19.5213 19.5469 22.3694 22.3946 22.4690 22.5000 k = 0.3203 0.3559-0.0000 ( 1034 PWs) bands (ev): -3.3606 -3.3502 -3.3104 -3.3059 -2.8520 -2.8426 -2.7509 -2.7491 -2.6077 -2.6063 -0.9675 -0.9642 4.2217 4.2235 5.9144 5.9149 9.7361 9.7395 17.6179 17.6369 19.2650 19.2937 22.2460 22.2593 22.4165 22.4353 k = 0.3125 0.3472-0.0000 ( 1032 PWs) bands (ev): -3.3529 -3.3420 -3.3104 -3.3056 -2.8518 -2.8424 -2.7512 -2.7494 -2.6086 -2.6069 -1.0653 -1.0620 4.2635 4.2653 5.9820 5.9825 9.9913 9.9947 17.6594 17.6838 19.0028 19.0363 22.0472 22.0513 22.4408 22.4501 k = 0.3047 0.3386-0.0000 ( 1032 PWs) bands (ev): -3.3452 -3.3341 -3.3102 -3.3051 -2.8515 -2.8421 -2.7515 -2.7496 -2.6095 -2.6076 -1.1624 -1.1589 4.3099 4.3117 6.0520 6.0525 10.2495 10.2530 17.6991 17.7318 18.7367 18.7778 21.8369 21.8384 22.4730 22.4794 k = 0.2969 0.3299-0.0000 ( 1032 PWs) bands (ev): -3.3379 -3.3266 -3.3095 -3.3044 -2.8511 -2.8417 -2.7519 -2.7499 -2.6104 -2.6082 -1.2584 -1.2548 4.3608 4.3625 6.1244 6.1250 10.5107 10.5143 17.7331 17.7807 18.4681 18.5234 21.6215 21.6218 22.5115 22.5163 k = 0.2891 0.3212 0.0000 ( 1032 PWs) bands (ev): -3.3311 -3.3206 -3.3076 -3.3032 -2.8506 -2.8412 -2.7523 -2.7501 -2.6113 -2.6087 -1.3532 -1.3495 4.4159 4.4176 6.1992 6.1997 10.7748 10.7784 17.7503 17.8299 18.1987 18.2851 21.4022 21.4025 22.5552 22.5590 k = 0.2812 0.3125-0.0000 ( 1036 PWs) bands (ev): -3.3253 -3.3173 -3.3032 -3.3014 -2.8498 -2.8405 -2.7527 -2.7505 -2.6122 -2.6094 -1.4466 -1.4428 4.4753 4.4769 6.2762 6.2767 11.0415 11.0452 17.7116 17.8675 17.9409 18.1029 21.1801 21.1808 22.6035 22.6065 k = 0.2734 0.3038-0.0000 ( 1032 PWs) bands (ev): -3.3207 -3.3161 -3.2983 -3.2968 -2.8489 -2.8398 -2.7531 -2.7507 -2.6131 -2.6099 -1.5384 -1.5345 4.5388 4.5404 6.3554 6.3559 11.3106 11.3143 17.5582 17.6504 17.9386 18.0361 20.9561 20.9570 22.6558 22.6582 k = 0.2656 0.2952-0.0000 ( 1036 PWs) bands (ev): -3.3178 -3.3159 -3.2939 -3.2898 -2.8479 -2.8389 -2.7535 -2.7510 -2.6140 -2.6104 -1.6285 -1.6245 4.6064 4.6079 6.4367 6.4373 11.5818 11.5857 17.3300 17.3818 17.9894 18.0455 20.7307 20.7318 22.7117 22.7134 k = 0.2578 0.2865-0.0000 ( 1036 PWs) bands (ev): -3.3162 -3.3160 -3.2884 -3.2827 -2.8466 -2.8380 -2.7540 -2.7513 -2.6149 -2.6109 -1.7166 -1.7125 4.6779 4.6794 6.5200 6.5206 11.8547 11.8588 17.0790 17.1134 18.0417 18.0796 20.5046 20.5058 22.7707 22.7719 k = 0.2500 0.2778-0.0000 ( 1036 PWs) bands (ev): -3.3166 -3.3153 -3.2824 -3.2756 -2.8452 -2.8369 -2.7545 -2.7516 -2.6158 -2.6114 -1.8027 -1.7985 4.7534 4.7549 6.6053 6.6059 12.1290 12.1332 16.8217 16.8471 18.0946 18.1226 20.2783 20.2796 22.8323 22.8330 k = 0.2422 0.2691-0.0000 ( 1040 PWs) bands (ev): -3.3172 -3.3151 -3.2762 -3.2688 -2.8436 -2.8358 -2.7550 -2.7520 -2.6167 -2.6118 -1.8866 -1.8823 4.8328 4.8342 6.6925 6.6931 12.4038 12.4082 16.5638 16.5839 18.1478 18.1693 20.0521 20.0535 22.8961 22.8962 k = 0.2344 0.2604-0.0000 ( 1040 PWs) bands (ev): -3.3180 -3.3152 -3.2699 -3.2622 -2.8419 -2.8346 -2.7556 -2.7524 -2.6176 -2.6122 -1.9682 -1.9638 4.9160 4.9174 6.7814 6.7820 12.6780 12.6828 16.3086 16.3252 18.2009 18.2178 19.8268 19.8282 22.9601 22.9606 k = 0.2266 0.2517-0.0000 ( 1036 PWs) bands (ev): -3.3189 -3.3156 -3.2637 -3.2558 -2.8400 -2.8333 -2.7562 -2.7527 -2.6186 -2.6126 -2.0474 -2.0429 5.0031 5.0044 6.8719 6.8725 12.9499 12.9550 16.0586 16.0728 18.2537 18.2670 19.6027 19.6041 23.0197 23.0208 k = 0.2188 0.2431 0.0000 ( 1036 PWs) bands (ev): -3.3200 -3.3162 -3.2577 -3.2498 -2.8380 -2.8320 -2.7569 -2.7531 -2.6195 -2.6129 -2.1239 -2.1193 5.0939 5.0952 6.9640 6.9646 13.2164 13.2219 15.8175 15.8301 18.3059 18.3163 19.3803 19.3818 23.0415 23.0427 k = 0.2109 0.2344-0.0000 ( 1036 PWs) bands (ev): -3.3212 -3.3171 -3.2520 -3.2442 -2.8360 -2.8307 -2.7577 -2.7536 -2.6206 -2.6132 -2.1977 -2.1930 5.1885 5.1897 7.0574 7.0581 13.4716 13.4775 15.5915 15.6029 18.3571 18.3650 19.1605 19.1619 22.9740 22.9743 k = 0.2031 0.2257-0.0000 ( 1044 PWs) bands (ev): -3.3227 -3.3182 -3.2465 -3.2389 -2.8341 -2.8297 -2.7586 -2.7541 -2.6218 -2.6135 -2.2686 -2.2637 5.2868 5.2879 7.1521 7.1528 13.7034 13.7097 15.3929 15.4032 18.4063 18.4118 18.9441 18.9456 22.8811 22.8812 k = 0.1953 0.2170-0.0000 ( 1038 PWs) bands (ev): -3.3243 -3.3194 -3.2412 -3.2339 -2.8320 -2.8287 -2.7596 -2.7547 -2.6232 -2.6137 -2.3364 -2.3313 5.3888 5.3899 7.2480 7.2486 13.8872 13.8934 15.2471 15.2561 18.4490 18.4524 18.7361 18.7377 22.7874 22.7875 k = 0.1875 0.2083 0.0000 ( 1038 PWs) bands (ev): -3.3261 -3.3209 -3.2363 -3.2293 -2.8302 -2.8282 -2.7609 -2.7554 -2.6250 -2.6140 -2.4007 -2.3952 5.4944 5.4955 7.3447 7.3454 13.9803 13.9852 15.1974 15.2039 18.4421 18.4429 18.5802 18.5815 22.6965 22.6966 k = 0.1797 0.1997 0.0000 ( 1038 PWs) bands (ev): -3.3282 -3.3227 -3.2317 -3.2251 -2.8286 -2.8282 -2.7624 -2.7563 -2.6277 -2.6142 -2.4613 -2.4549 5.6038 5.6048 7.4422 7.4429 13.9514 13.9540 15.2750 15.2779 18.2782 18.2791 18.5819 18.5837 22.6091 22.6093 k = 0.1719 0.1910 0.0000 ( 1034 PWs) bands (ev): -3.3306 -3.3248 -3.2274 -3.2212 -2.8292 -2.8276 -2.7642 -2.7574 -2.6319 -2.6143 -2.5176 -2.5091 5.7168 5.7177 7.5402 7.5409 13.8239 13.8245 15.4549 15.4550 18.0789 18.0800 18.6207 18.6244 22.5256 22.5258 k = 0.1641 0.1823 0.0000 ( 1034 PWs) bands (ev): -3.3334 -3.3272 -3.2234 -3.2177 -2.8319 -2.8276 -2.7663 -2.7589 -2.6403 -2.6145 -2.5689 -2.5547 5.8334 5.8343 7.6386 7.6393 13.6413 13.6419 15.6904 15.6930 17.8788 17.8800 18.6627 18.6687 22.4458 22.4462 k = 0.1562 0.1736-0.0000 ( 1034 PWs) bands (ev): -3.3365 -3.3300 -3.2198 -3.2146 -2.8373 -2.8293 -2.7689 -2.7611 -2.6575 -2.6162 -2.6123 -2.5859 5.9537 5.9545 7.7370 7.7377 13.4323 13.4335 15.9563 15.9611 17.6817 17.6830 18.7047 18.7132 22.3701 22.3705 k = 0.1484 0.1649-0.0000 ( 1036 PWs) bands (ev): -3.3400 -3.3333 -3.2165 -3.2119 -2.8470 -2.8343 -2.7716 -2.7642 -2.6831 -2.6516 -2.6145 -2.6012 6.0775 6.0783 7.8352 7.8359 13.2108 13.2123 16.2389 16.2457 17.4887 17.4901 18.7455 18.7568 22.2981 22.2987 k = 0.1406 0.1563-0.0000 ( 1032 PWs) bands (ev): -3.3440 -3.3370 -3.2134 -3.2094 -2.8622 -2.8449 -2.7741 -2.7684 -2.7072 -2.6803 -2.6146 -2.6080 6.2050 6.2057 7.9330 7.9336 12.9832 12.9849 16.5310 16.5403 17.3007 17.3023 18.7849 18.7994 22.2301 22.2308 k = 0.1328 0.1476-0.0000 ( 1032 PWs) bands (ev): -3.3486 -3.3413 -3.2108 -3.2074 -2.8833 -2.8630 -2.7760 -2.7728 -2.7237 -2.7005 -2.6147 -2.6114 6.3360 6.3367 8.0299 8.0305 12.7530 12.7547 16.8276 16.8406 17.1187 17.1213 18.8225 18.8409 22.1658 22.1667 k = 0.1250 0.1389-0.0000 ( 1032 PWs) bands (ev): -3.3537 -3.3462 -3.2085 -3.2057 -2.9087 -2.8874 -2.7771 -2.7759 -2.7331 -2.7137 -2.6148 -2.6134 6.4706 6.4712 8.1256 8.1263 12.5220 12.5237 16.9359 16.9376 17.1381 17.1500 18.8584 18.8814 22.1053 22.1064 k = 0.1172 0.1302-0.0000 ( 1032 PWs) bands (ev): -3.3594 -3.3517 -3.2066 -3.2044 -2.9360 -2.9151 -2.7774 -2.7774 -2.7381 -2.7223 -2.6148 -2.6147 6.6087 6.6093 8.2197 8.2204 12.2913 12.2931 16.7681 16.7682 17.4386 17.4573 18.8923 18.9214 22.0487 22.0500 k = 0.1094 0.1215 0.0000 ( 1032 PWs) bands (ev): -3.3658 -3.3580 -3.2050 -3.2034 -2.9631 -2.9431 -2.7776 -2.7772 -2.7410 -2.7280 -2.6155 -2.6148 6.7504 6.7509 8.3119 8.3125 12.0618 12.0635 16.6041 16.6045 17.7417 17.7677 18.9243 18.9619 21.9958 21.9973 k = 0.1016 0.1129-0.0000 ( 1036 PWs) bands (ev): -3.3728 -3.3650 -3.2038 -3.2028 -2.9889 -2.9698 -2.7771 -2.7767 -2.7428 -2.7319 -2.6161 -2.6149 6.8956 6.8960 8.4015 8.4021 11.8339 11.8355 16.4472 16.4477 18.0417 18.0791 18.9544 19.0047 21.9467 21.9484 k = 0.0938 0.1042 0.0000 ( 1040 PWs) bands (ev): -3.3803 -3.3727 -3.2030 -3.2025 -3.0124 -2.9943 -2.7761 -2.7758 -2.7440 -2.7347 -2.6166 -2.6150 7.0442 7.0445 8.4881 8.4887 11.6079 11.6095 16.2981 16.2986 18.3326 18.3902 18.9831 19.0550 21.9014 21.9033 k = 0.0859 0.0955 0.0000 ( 1039 PWs) bands (ev): -3.3884 -3.3809 -3.2025 -3.2024 -3.0333 -3.0162 -2.7749 -2.7748 -2.7447 -2.7367 -2.6168 -2.6150 7.1963 7.1966 8.5712 8.5718 11.3842 11.3857 16.1574 16.1580 18.5996 18.6978 19.0124 19.1264 21.8598 21.8621 k = 0.0781 0.0868-0.0000 ( 1039 PWs) bands (ev): -3.3967 -3.3896 -3.2027 -3.2024 -3.0514 -3.0353 -2.7738 -2.7737 -2.7452 -2.7382 -2.6170 -2.6150 7.3518 7.3521 8.6502 8.6507 11.1629 11.1643 16.0258 16.0264 18.8083 18.9685 19.0748 19.2523 21.8221 21.8247 k = 0.0703 0.0781-0.0000 ( 1039 PWs) bands (ev): -3.4053 -3.3986 -3.2031 -3.2026 -3.0666 -3.0518 -2.7728 -2.7725 -2.7454 -2.7393 -2.6170 -2.6150 7.5108 7.5109 8.7244 8.7249 10.9441 10.9455 15.9039 15.9044 18.9298 19.0364 19.3349 19.4602 21.7881 21.7911 k = 0.0625 0.0694-0.0000 ( 1039 PWs) bands (ev): -3.4137 -3.4076 -3.2038 -3.2031 -3.0792 -3.0657 -2.7717 -2.7713 -2.7455 -2.7402 -2.6170 -2.6151 7.6731 7.6732 8.7932 8.7937 10.7281 10.7294 15.7923 15.7928 18.9934 19.0592 19.6332 19.7192 21.7581 21.7615 k = 0.0547 0.0608 0.0000 ( 1039 PWs) bands (ev): -3.4218 -3.4164 -3.2046 -3.2038 -3.0893 -3.0773 -2.7708 -2.7703 -2.7455 -2.7410 -2.6170 -2.6152 7.8387 7.8387 8.8559 8.8564 10.5150 10.5162 15.6918 15.6922 19.0319 19.0765 19.9279 19.9939 21.7322 21.7361 k = 0.0469 0.0521 0.0000 ( 1043 PWs) bands (ev): -3.4294 -3.4247 -3.2055 -3.2047 -3.0972 -3.0869 -2.7700 -2.7694 -2.7454 -2.7416 -2.6170 -2.6153 8.0075 8.0075 8.9120 8.9125 10.3048 10.3060 15.6030 15.6033 19.0588 19.0907 20.2133 20.2677 21.7105 21.7149 k = 0.0391 0.0434-0.0000 ( 1043 PWs) bands (ev): -3.4362 -3.4322 -3.2063 -3.2056 -3.1032 -3.0945 -2.7692 -2.7687 -2.7452 -2.7421 -2.6168 -2.6154 8.1793 8.1795 8.9608 8.9613 10.0978 10.0989 15.5265 15.5268 19.0789 19.1023 20.4843 20.5308 21.6935 21.6984 k = 0.0312 0.0347-0.0000 ( 1039 PWs) bands (ev): -3.4420 -3.4388 -3.2071 -3.2064 -3.1075 -3.1006 -2.7686 -2.7681 -2.7450 -2.7425 -2.6167 -2.6154 8.3541 8.3542 9.0017 9.0022 9.8942 9.8953 15.4631 15.4634 19.0944 19.1114 20.7338 20.7737 21.6819 21.6872 k = 0.0234 0.0260 0.0000 ( 1039 PWs) bands (ev): -3.4466 -3.4442 -3.2077 -3.2072 -3.1105 -3.1053 -2.7680 -2.7676 -2.7447 -2.7429 -2.6165 -2.6156 8.5311 8.5313 9.0343 9.0349 9.6945 9.6955 15.4131 15.4133 19.1061 19.1181 20.9515 20.9846 21.6767 21.6821 k = 0.0156 0.0174-0.0000 ( 1043 PWs) bands (ev): -3.4499 -3.4483 -3.2082 -3.2079 -3.1122 -3.1088 -2.7677 -2.7674 -2.7445 -2.7432 -2.6164 -2.6157 8.7090 8.7092 9.0585 9.0592 9.4997 9.5007 15.3770 15.3771 19.1147 19.1223 21.1235 21.1481 21.6790 21.6836 k = 0.0078 0.0087-0.0000 ( 1053 PWs) bands (ev): -3.4518 -3.4510 -3.2085 -3.2084 -3.1129 -3.1112 -2.7674 -2.7673 -2.7443 -2.7436 -2.6163 -2.6160 8.8806 8.8809 9.0763 9.0774 9.3146 9.3156 15.3552 15.3553 19.1205 19.1242 21.2353 21.2486 21.6868 21.6895 k = 0.0000 0.0000 0.0000 ( 1049 PWs) bands (ev): -3.4521 -3.4521 -3.2085 -3.2085 -3.1125 -3.1125 -2.7673 -2.7673 -2.7439 -2.7439 -2.6161 -2.6161 8.9837 8.9837 9.1002 9.1002 9.1904 9.1904 15.3480 15.3480 19.1236 19.1236 21.2778 21.2778 21.6922 21.6922 k = 0.0000 0.0000 0.0000 ( 1049 PWs) bands (ev): -3.4521 -3.4521 -3.2085 -3.2085 -3.1125 -3.1125 -2.7673 -2.7673 -2.7439 -2.7439 -2.6161 -2.6161 8.9837 8.9837 9.1002 9.1002 9.1904 9.1904 15.3480 15.3480 19.1236 19.1236 21.2778 21.2778 21.6922 21.6922 k = 0.0076-0.0068 0.0056 ( 1049 PWs) bands (ev): -3.4520 -3.4512 -3.2089 -3.2083 -3.1122 -3.1113 -2.7673 -2.7672 -2.7443 -2.7435 -2.6161 -2.6160 8.8678 8.8684 9.0939 9.0945 9.3096 9.3109 15.3553 15.3554 19.1207 19.1246 21.2732 21.2783 21.6636 21.6698 k = 0.0152-0.0137 0.0113 ( 1045 PWs) bands (ev): -3.4508 -3.4492 -3.2092 -3.2081 -3.1105 -3.1087 -2.7671 -2.7670 -2.7445 -2.7429 -2.6161 -2.6158 8.6894 8.6901 9.0790 9.0794 9.4976 9.4988 15.3774 15.3776 19.1158 19.1238 21.2600 21.2727 21.5918 21.6007 k = 0.0228-0.0205 0.0169 ( 1049 PWs) bands (ev): -3.4487 -3.4462 -3.2098 -3.2081 -3.1072 -3.1045 -2.7669 -2.7667 -2.7446 -2.7422 -2.6162 -2.6157 8.5063 8.5070 9.0547 9.0551 9.6963 9.6976 15.4139 15.4141 19.1088 19.1211 21.2203 21.2472 21.5025 21.5061 k = 0.0304-0.0274 0.0225 ( 1051 PWs) bands (ev): -3.4456 -3.4423 -3.2104 -3.2082 -3.1024 -3.0988 -2.7666 -2.7664 -2.7447 -2.7413 -2.6161 -2.6155 8.3243 8.3250 9.0211 9.0215 9.9002 9.9015 15.4645 15.4647 19.0995 19.1165 21.1184 21.1631 21.4340 21.4405 k = 0.0380-0.0342 0.0282 ( 1055 PWs) bands (ev): -3.4417 -3.4376 -3.2111 -3.2084 -3.0960 -3.0915 -2.7663 -2.7659 -2.7446 -2.7402 -2.6161 -2.6152 8.1447 8.1453 8.9788 8.9792 10.1079 10.1092 15.5286 15.5289 19.0877 19.1101 20.9477 21.0016 21.4120 21.4209 k = 0.0457-0.0411 0.0338 ( 1051 PWs) bands (ev): -3.4371 -3.4322 -3.2119 -3.2087 -3.0879 -3.0825 -2.7658 -2.7652 -2.7442 -2.7388 -2.6160 -2.6148 7.9678 7.9685 8.9283 8.9287 10.3190 10.3204 15.6058 15.6062 19.0730 19.1018 20.7339 20.7936 21.4169 21.4248 k = 0.0533-0.0479 0.0394 ( 1049 PWs) bands (ev): -3.4320 -3.4263 -3.2128 -3.2091 -3.0782 -3.0718 -2.7652 -2.7643 -2.7436 -2.7370 -2.6158 -2.6144 7.7941 7.7946 8.8702 8.8706 10.5333 10.5347 15.6954 15.6959 19.0549 19.0914 20.4945 20.5605 21.4336 21.4403 k = 0.0609-0.0548 0.0450 ( 1057 PWs) bands (ev): -3.4265 -3.4201 -3.2138 -3.2096 -3.0667 -3.0595 -2.7645 -2.7634 -2.7428 -2.7347 -2.6158 -2.6139 7.6234 7.6240 8.8051 8.8056 10.7505 10.7520 15.7967 15.7972 19.0321 19.0790 20.2378 20.3123 21.4573 21.4629 k = 0.0685-0.0616 0.0507 ( 1057 PWs) bands (ev): -3.4207 -3.4137 -3.2150 -3.2102 -3.0534 -3.0454 -2.7637 -2.7622 -2.7414 -2.7317 -2.6156 -2.6132 7.4561 7.4565 8.7339 8.7343 10.9705 10.9721 15.9091 15.9095 19.0028 19.0643 19.9690 20.0561 21.4864 21.4912 k = 0.0761-0.0685 0.0563 ( 1053 PWs) bands (ev): -3.4148 -3.4073 -3.2162 -3.2109 -3.0385 -3.0297 -2.7628 -2.7609 -2.7392 -2.7278 -2.6153 -2.6122 7.2920 7.2924 8.6570 8.6575 11.1933 11.1949 16.0317 16.0322 18.9629 19.0468 19.6917 19.7993 21.5201 21.5242 k = 0.0837-0.0753 0.0619 ( 1049 PWs) bands (ev): -3.4090 -3.4009 -3.2175 -3.2117 -3.0221 -3.0126 -2.7619 -2.7596 -2.7359 -2.7225 -2.6149 -2.6110 7.1312 7.1316 8.5753 8.5758 11.4187 11.4204 16.1640 16.1645 18.9030 19.0247 19.4100 19.5533 21.5581 21.5616 k = 0.0913-0.0822 0.0676 ( 1041 PWs) bands (ev): -3.4033 -3.3948 -3.2188 -3.2125 -3.0045 -2.9945 -2.7609 -2.7583 -2.7310 -2.7156 -2.6144 -2.6094 6.9738 6.9742 8.4893 8.4898 11.6466 11.6483 16.3052 16.3057 18.8033 18.9841 19.1397 19.3401 21.6003 21.6033 k = 0.0989-0.0890 0.0732 ( 1045 PWs) bands (ev): -3.3980 -3.3891 -3.2204 -3.2136 -2.9863 -2.9757 -2.7600 -2.7573 -2.7243 -2.7066 -2.6138 -2.6073 6.8199 6.8201 8.3997 8.4002 11.8768 11.8786 16.4544 16.4550 18.6384 18.7941 19.0129 19.1863 21.6465 21.6491 k = 0.1065-0.0959 0.0788 ( 1043 PWs) bands (ev): -3.3929 -3.3837 -3.2221 -3.2148 -2.9678 -2.9570 -2.7592 -2.7564 -2.7151 -2.6949 -2.6129 -2.6043 6.6693 6.6695 8.3069 8.3075 12.1091 12.1109 16.6114 16.6118 18.4114 18.5078 18.9778 19.0900 21.6968 21.6990 k = 0.1141-0.1027 0.0845 ( 1051 PWs) bands (ev): -3.3882 -3.3789 -3.2240 -3.2161 -2.9498 -2.9391 -2.7584 -2.7558 -2.7033 -2.6802 -2.6114 -2.6000 6.5222 6.5223 8.2117 8.2122 12.3432 12.3451 16.7753 16.7756 18.1492 18.2121 18.9486 19.0255 21.7511 21.7530 k = 0.1217-0.1096 0.0901 ( 1043 PWs) bands (ev): -3.3839 -3.3744 -3.2259 -3.2175 -2.9329 -2.9226 -2.7577 -2.7552 -2.6892 -2.6623 -2.6085 -2.5932 6.3786 6.3787 8.1143 8.1149 12.5789 12.5809 16.9457 16.9458 17.8708 17.9145 18.9190 18.9751 21.8095 21.8111 k = 0.1293-0.1164 0.0957 ( 1043 PWs) bands (ev): -3.3800 -3.3705 -3.2279 -3.2191 -2.9178 -2.9082 -2.7570 -2.7548 -2.6740 -2.6436 -2.6016 -2.5822 6.2385 6.2385 8.0153 8.0159 12.8156 12.8176 17.1207 17.1216 17.5863 17.6172 18.8879 18.9304 21.8720 21.8734 k = 0.1370-0.1233 0.1014 ( 1043 PWs) bands (ev): -3.3766 -3.3670 -3.2301 -3.2208 -2.9048 -2.8962 -2.7564 -2.7545 -2.6599 -2.6300 -2.5843 -2.5646 6.1019 6.1019 7.9151 7.9157 13.0526 13.0547 17.2622 17.2876 17.3365 17.3381 18.8552 18.8881 21.9387 21.9398 k = 0.1446-0.1301 0.1070 ( 1043 PWs) bands (ev): -3.3736 -3.3640 -3.2325 -3.2227 -2.8939 -2.8865 -2.7559 -2.7542 -2.6489 -2.6237 -2.5544 -2.5384 5.9688 5.9689 7.8140 7.8146 13.2887 13.2909 17.0043 17.0254 17.4922 17.4950 18.8207 18.8464 22.0096 22.0104 k = 0.1522-0.1370 0.1126 ( 1045 PWs) bands (ev): -3.3709 -3.3614 -3.2350 -3.2248 -2.8851 -2.8789 -2.7554 -2.7540 -2.6413 -2.6209 -2.5159 -2.5038 5.8393 5.8394 7.7124 7.7130 13.5223 13.5244 16.7220 16.7381 17.6824 17.6844 18.7847 18.8045 22.0847 22.0853 k = 0.1598-0.1438 0.1183 ( 1045 PWs) bands (ev): -3.3687 -3.3592 -3.2376 -3.2269 -2.8780 -2.8731 -2.7550 -2.7537 -2.6361 -2.6194 -2.4714 -2.4619 5.7134 5.7136 7.6106 7.6111 13.7502 13.7522 16.4466 16.4590 17.8768 17.8785 18.7474 18.7624 22.1643 22.1645 k = 0.1674-0.1506 0.1239 ( 1045 PWs) bands (ev): -3.3668 -3.3574 -3.2403 -3.2292 -2.8724 -2.8688 -2.7546 -2.7536 -2.6324 -2.6183 -2.4219 -2.4141 5.5911 5.5914 7.5088 7.5093 13.9667 13.9684 16.1852 16.1944 18.0738 18.0754 18.7095 18.7204 22.2483 22.2484 k = 0.1750-0.1575 0.1295 ( 1041 PWs) bands (ev): -3.3652 -3.3560 -3.2431 -3.2317 -2.8680 -2.8655 -2.7542 -2.7534 -2.6297 -2.6176 -2.3680 -2.3614 5.4724 5.4728 7.4073 7.4078 14.1604 14.1613 15.9499 15.9559 18.2711 18.2725 18.6732 18.6806 22.3366 22.3371 k = 0.1826-0.1643 0.1351 ( 1041 PWs) bands (ev): -3.3640 -3.3549 -3.2460 -3.2343 -2.8645 -2.8631 -2.7539 -2.7532 -2.6276 -2.6169 -2.3103 -2.3043 5.3575 5.3580 7.3063 7.3069 14.3076 14.3083 15.7643 15.7667 18.4552 18.4562 18.6515 18.6558 22.4294 22.4305 k = 0.1902-0.1712 0.1408 ( 1037 PWs) bands (ev): -3.3631 -3.3542 -3.2490 -3.2370 -2.8618 -2.8613 -2.7535 -2.7530 -2.6258 -2.6163 -2.2489 -2.2435 5.2463 5.2468 7.2060 7.2066 14.3683 14.3715 15.6658 15.6679 18.5336 18.5342 18.7363 18.7388 22.5268 22.5288 k = 0.1978-0.1780 0.1464 ( 1035 PWs) bands (ev): -3.3625 -3.3537 -3.2521 -3.2398 -2.8601 -2.8596 -2.7532 -2.7528 -2.6243 -2.6158 -2.1843 -2.1792 5.1388 5.1394 7.1067 7.1072 14.3122 14.3175 15.6855 15.6918 18.5056 18.5091 18.9262 18.9282 22.6285 22.6321 k = 0.2054-0.1849 0.1520 ( 1035 PWs) bands (ev): -3.3622 -3.3537 -3.2554 -3.2428 -2.8592 -2.8579 -2.7529 -2.7527 -2.6230 -2.6153 -2.1166 -2.1118 5.0351 5.0358 7.0084 7.0090 14.1559 14.1621 15.8103 15.8197 18.4612 18.4681 19.1330 19.1348 22.7324 22.7405 k = 0.2130-0.1917 0.1577 ( 1031 PWs) bands (ev): -3.3621 -3.3538 -3.2586 -3.2458 -2.8586 -2.8566 -2.7526 -2.7525 -2.6218 -2.6148 -2.0459 -2.0414 4.9352 4.9359 6.9114 6.9119 13.9406 13.9468 15.9985 16.0105 18.4129 18.4236 19.3441 19.3459 22.8158 22.8515 k = 0.2207-0.1986 0.1633 ( 1033 PWs) bands (ev): -3.3624 -3.3543 -3.2619 -3.2490 -2.8583 -2.8555 -2.7523 -2.7523 -2.6207 -2.6143 -1.9726 -1.9682 4.8392 4.8400 6.8157 6.8162 13.6950 13.7010 16.2204 16.2352 18.3628 18.3778 19.5573 19.5590 22.7782 22.8147 k = 0.2283-0.2054 0.1689 ( 1030 PWs) bands (ev): -3.3629 -3.3552 -3.2652 -3.2523 -2.8580 -2.8546 -2.7521 -2.7520 -2.6196 -2.6137 -1.8966 -1.8924 4.7471 4.7480 6.7215 6.7221 13.4342 13.4398 16.4605 16.4790 18.3118 18.3322 19.7715 19.7733 22.7046 22.7363 k = 0.2359-0.2123 0.1746 ( 1032 PWs) bands (ev): -3.3638 -3.3564 -3.2685 -3.2556 -2.8579 -2.8539 -2.7519 -2.7518 -2.6186 -2.6132 -1.8182 -1.8142 4.6590 4.6599 6.6290 6.6295 13.1655 13.1708 16.7105 16.7343 18.2604 18.2877 19.9859 19.9877 22.6292 22.6594 k = 0.2435-0.2191 0.1802 ( 1032 PWs) bands (ev): -3.3650 -3.3579 -3.2718 -3.2589 -2.8578 -2.8533 -2.7518 -2.7515 -2.6176 -2.6127 -1.7376 -1.7336 4.5748 4.5758 6.5381 6.5386 12.8930 12.8980 16.9648 16.9968 18.2092 18.2464 20.2001 20.2019 22.5549 22.5846 k = 0.2511-0.2260 0.1858 ( 1032 PWs) bands (ev): -3.3664 -3.3598 -3.2749 -3.2623 -2.8577 -2.8527 -2.7516 -2.7513 -2.6166 -2.6121 -1.6548 -1.6510 4.4948 4.4958 6.4491 6.4496 12.6188 12.6235 17.2179 17.2637 18.1590 18.2117 20.4135 20.4153 22.4823 22.5119 k = 0.2587-0.2328 0.1915 ( 1030 PWs) bands (ev): -3.3682 -3.3620 -3.2779 -3.2655 -2.8577 -2.8522 -2.7514 -2.7510 -2.6157 -2.6116 -1.5700 -1.5663 4.4189 4.4200 6.3620 6.3625 12.3443 12.3487 17.4596 17.5313 18.1122 18.1927 20.6257 20.6274 22.4118 22.4415 k = 0.2663-0.2397 0.1971 ( 1030 PWs) bands (ev): -3.3703 -3.3646 -3.2808 -3.2687 -2.8576 -2.8518 -2.7512 -2.7508 -2.6147 -2.6110 -1.4833 -1.4798 4.3472 4.3484 6.2769 6.2774 12.0703 12.0746 17.6648 17.7865 18.0812 18.2134 20.8361 20.8379 22.3433 22.3734 k = 0.2739-0.2465 0.2027 ( 1030 PWs) bands (ev): -3.3727 -3.3676 -3.2835 -3.2719 -2.8575 -2.8513 -2.7510 -2.7505 -2.6138 -2.6104 -1.3950 -1.3916 4.2799 4.2812 6.1939 6.1944 11.7975 11.8016 17.7869 17.9296 18.1651 18.3203 21.0444 21.0461 22.2772 22.3078 k = 0.2815-0.2534 0.2083 ( 1030 PWs) bands (ev): -3.3754 -3.3709 -3.2861 -3.2749 -2.8573 -2.8509 -2.7508 -2.7503 -2.6128 -2.6098 -1.3052 -1.3019 4.2170 4.2184 6.1130 6.1135 11.5263 11.5303 17.8184 17.9134 18.4107 18.5203 21.2500 21.2517 22.2135 22.2449 k = 0.2891-0.2602 0.2140 ( 1030 PWs) bands (ev): -3.3784 -3.3745 -3.2885 -3.2779 -2.8571 -2.8504 -2.7506 -2.7501 -2.6119 -2.6092 -1.2141 -1.2109 4.1587 4.1601 6.0344 6.0349 11.2571 11.2609 17.8045 17.8702 18.6852 18.7677 21.4527 21.4543 22.1522 22.1847 k = 0.2967-0.2671 0.2196 ( 1030 PWs) bands (ev): -3.3818 -3.3785 -3.2907 -3.2806 -2.8568 -2.8500 -2.7504 -2.7499 -2.6110 -2.6086 -1.1219 -1.1188 4.1050 4.1065 5.9580 5.9585 10.9900 10.9937 17.7733 17.8226 18.9655 19.0344 21.6520 21.6536 22.0937 22.1275 k = 0.3044-0.2739 0.2252 ( 1026 PWs) bands (ev): -3.3854 -3.3827 -3.2927 -3.2832 -2.8565 -2.8495 -2.7502 -2.7496 -2.6101 -2.6079 -1.0287 -1.0257 4.0562 4.0577 5.8840 5.8845 10.7253 10.7290 17.7349 17.7742 19.2478 19.3096 21.8478 21.8493 22.0380 22.0737 k = 0.3120-0.2808 0.2309 ( 1022 PWs) bands (ev): -3.3893 -3.3871 -3.2945 -3.2856 -2.8560 -2.8490 -2.7500 -2.7494 -2.6091 -2.6072 -0.9350 -0.9321 4.0123 4.0139 5.8124 5.8129 10.4633 10.4668 17.6935 17.7261 19.5302 19.5889 21.9855 22.0228 22.0397 22.0422 k = 0.3196-0.2876 0.2365 ( 1014 PWs) bands (ev): -3.3934 -3.3918 -3.2961 -3.2879 -2.8555 -2.8483 -2.7497 -2.7491 -2.6082 -2.6065 -0.8408 -0.8380 3.9736 3.9753 5.7433 5.7437 10.2039 10.2074 17.6508 17.6785 19.8114 19.8696 21.9368 21.9780 22.2277 22.2294 k = 0.3272-0.2944 0.2421 ( 1020 PWs) bands (ev): -3.3978 -3.3967 -3.2977 -3.2901 -2.8550 -2.8478 -2.7495 -2.7489 -2.6073 -2.6058 -0.7465 -0.7439 3.9403 3.9421 5.6766 5.6770 9.9473 9.9508 17.6080 17.6320 20.0897 20.1497 21.8925 21.9381 22.4116 22.4132 k = 0.3348-0.3013 0.2478 ( 1028 PWs) bands (ev): -3.4023 -3.4018 -3.2992 -3.2921 -2.8545 -2.8473 -2.7494 -2.7488 -2.6065 -2.6052 -0.6525 -0.6499 3.9126 3.9144 5.6125 5.6129 9.6938 9.6972 17.5655 17.5866 20.3625 20.4268 21.8543 21.9059 22.5913 22.5928 k = 0.3424-0.3081 0.2534 ( 1028 PWs) bands (ev): -3.4070 -3.4068 -3.3004 -3.2939 -2.8538 -2.8468 -2.7492 -2.7486 -2.6056 -2.6045 -0.5589 -0.5565 3.8907 3.8926 5.5510 5.5514 9.4434 9.4467 17.5237 17.5425 20.6256 20.6970 21.8254 21.8855 22.7667 22.7683 k = 0.3500-0.3150 0.2590 ( 1028 PWs) bands (ev): -3.4120 -3.4118 -3.3015 -3.2955 -2.8532 -2.8462 -2.7490 -2.7484 -2.6048 -2.6038 -0.4663 -0.4640 3.8749 3.8769 5.4921 5.4925 9.1962 9.1995 17.4831 17.4999 20.8709 20.9526 21.8129 21.8843 22.9380 22.9395 k = 0.3576-0.3218 0.2647 ( 1028 PWs) bands (ev): -3.4171 -3.4166 -3.3025 -3.2970 -2.8524 -2.8456 -2.7488 -2.7482 -2.6039 -2.6032 -0.3749 -0.3727 3.8655 3.8676 5.4360 5.4363 8.9523 8.9556 17.4436 17.4588 21.0830 21.1757 21.8343 21.9172 23.1050 23.1065 k = 0.3652-0.3287 0.2703 ( 1030 PWs) bands (ev): -3.4223 -3.4215 -3.3034 -3.2984 -2.8517 -2.8450 -2.7486 -2.7480 -2.6032 -2.6025 -0.2852 -0.2831 3.8628 3.8650 5.3825 5.3828 8.7118 8.7151 17.4056 17.4193 21.2398 21.3327 21.9221 22.0056 23.2677 23.2692 k = 0.3728-0.3355 0.2759 ( 1030 PWs) bands (ev): -3.4273 -3.4263 -3.3042 -3.2996 -2.8509 -2.8444 -2.7484 -2.7479 -2.6024 -2.6019 -0.1976 -0.1957 3.8671 3.8694 5.3317 5.3321 8.4750 8.4782 17.3692 17.3816 21.3299 21.4061 22.0934 22.1604 23.4260 23.4275 k = 0.3804-0.3424 0.2816 ( 1030 PWs) bands (ev): -3.4322 -3.4311 -3.3049 -3.3007 -2.8501 -2.8438 -2.7483 -2.7477 -2.6016 -2.6012 -0.1126 -0.1108 3.8788 3.8811 5.2838 5.2841 8.2418 8.2450 17.3344 17.3457 21.3683 21.4246 22.3185 22.3659 23.5798 23.5814 k = 0.3880-0.3492 0.2872 ( 1030 PWs) bands (ev): -3.4371 -3.4358 -3.3055 -3.3018 -2.8493 -2.8433 -2.7481 -2.7476 -2.6009 -2.6006 -0.0305 -0.0288 3.8980 3.9005 5.2386 5.2390 8.0124 8.0156 17.3014 17.3116 21.3775 21.4192 22.5658 22.5984 23.7290 23.7306 k = 0.3957-0.3561 0.2928 ( 1032 PWs) bands (ev): -3.4417 -3.4404 -3.3061 -3.3027 -2.8485 -2.8428 -2.7479 -2.7474 -2.6002 -2.6000 0.0481 0.0496 3.9253 3.9278 5.1963 5.1967 7.7869 7.7902 17.2702 17.2795 21.3723 21.4038 22.8200 22.8424 23.8733 23.8750 k = 0.4033-0.3629 0.2984 ( 1032 PWs) bands (ev): -3.4461 -3.4448 -3.3066 -3.3036 -2.8477 -2.8423 -2.7478 -2.7473 -2.5996 -2.5994 0.1228 0.1242 3.9608 3.9634 5.1569 5.1572 7.5655 7.5688 17.2410 17.2494 21.3602 21.3847 23.0739 23.0892 24.0124 24.0142 k = 0.4109-0.3698 0.3041 ( 1030 PWs) bands (ev): -3.4503 -3.4489 -3.3071 -3.3043 -2.8468 -2.8418 -2.7476 -2.7472 -2.5989 -2.5989 0.1932 0.1945 4.0048 4.0076 5.1204 5.1207 7.3483 7.3516 17.2138 17.2214 21.3450 21.3645 23.3236 23.3337 24.1460 24.1479 k = 0.4185-0.3766 0.3097 ( 1026 PWs) bands (ev): -3.4542 -3.4529 -3.3074 -3.3050 -2.8460 -2.8413 -2.7474 -2.7470 -2.5983 -2.5983 0.2590 0.2602 4.0576 4.0604 5.0867 5.0870 7.1355 7.1388 17.1886 17.1954 21.3286 21.3444 23.5661 23.5723 24.2736 24.2756 k = 0.4261-0.3835 0.3153 ( 1018 PWs) bands (ev): -3.4579 -3.4566 -3.3077 -3.3056 -2.8452 -2.8409 -2.7472 -2.7468 -2.5977 -2.5977 0.3197 0.3208 4.1193 4.1222 5.0560 5.0563 6.9273 6.9306 17.1656 17.1716 21.3123 21.3251 23.7988 23.8020 24.3947 24.3969 k = 0.4337-0.3903 0.3210 ( 1018 PWs) bands (ev): -3.4612 -3.4600 -3.3080 -3.3061 -2.8445 -2.8406 -2.7471 -2.7467 -2.5973 -2.5972 0.3751 0.3760 4.1900 4.1930 5.0283 5.0286 6.7238 6.7271 17.1447 17.1500 21.2967 21.3071 24.0192 24.0200 24.5088 24.5112 k = 0.4413-0.3972 0.3266 ( 1022 PWs) bands (ev): -3.4643 -3.4632 -3.3083 -3.3066 -2.8438 -2.8403 -2.7470 -2.7467 -2.5969 -2.5968 0.4249 0.4257 4.2697 4.2728 5.0036 5.0038 6.5253 6.5285 17.1260 17.1307 21.2821 21.2907 24.2232 24.2244 24.6155 24.6183 k = 0.4489-0.4040 0.3322 ( 1022 PWs) bands (ev): -3.4670 -3.4660 -3.3085 -3.3071 -2.8431 -2.8400 -2.7469 -2.7466 -2.5965 -2.5965 0.4689 0.4696 4.3585 4.3616 4.9818 4.9821 6.3319 6.3351 17.1095 17.1135 21.2690 21.2760 24.4083 24.4111 24.7148 24.7180 k = 0.4565-0.4109 0.3379 ( 1022 PWs) bands (ev): -3.4694 -3.4685 -3.3087 -3.3075 -2.8425 -2.8399 -2.7468 -2.7466 -2.5962 -2.5961 0.5070 0.5076 4.4561 4.4593 4.9631 4.9634 6.1439 6.1472 17.0953 17.0987 21.2575 21.2632 24.5712 24.5751 24.8072 24.8106 k = 0.4641-0.4177 0.3435 ( 1018 PWs) bands (ev): -3.4713 -3.4706 -3.3087 -3.3077 -2.8419 -2.8397 -2.7467 -2.7465 -2.5959 -2.5958 0.5391 0.5395 4.5623 4.5656 4.9475 4.9479 5.9617 5.9649 17.0834 17.0862 21.2478 21.2523 24.7069 24.7114 24.8939 24.8974 k = 0.4717-0.4246 0.3491 ( 1018 PWs) bands (ev): -3.4729 -3.4723 -3.3088 -3.3080 -2.8414 -2.8397 -2.7466 -2.7465 -2.5957 -2.5956 0.5650 0.5654 4.6767 4.6801 4.9351 4.9356 5.7856 5.7888 17.0738 17.0760 21.2399 21.2433 24.8114 24.8156 24.9757 24.9788 k = 0.4794-0.4314 0.3548 ( 1018 PWs) bands (ev): -3.4741 -3.4737 -3.3088 -3.3083 -2.8410 -2.8397 -2.7466 -2.7464 -2.5955 -2.5954 0.5849 0.5851 4.7977 4.8014 4.9269 4.9277 5.6160 5.6192 17.0665 17.0681 21.2339 21.2364 24.8849 24.8879 25.0490 25.0510 k = 0.4870-0.4382 0.3604 ( 1018 PWs) bands (ev): -3.4749 -3.4746 -3.3088 -3.3085 -2.8406 -2.8398 -2.7465 -2.7464 -2.5953 -2.5953 0.5985 0.5987 4.9011 4.9038 4.9469 4.9478 5.4541 5.4572 17.0616 17.0626 21.2299 21.2314 24.9318 24.9336 25.1055 25.1066 k = 0.4870-0.4382 0.3604 ( 1018 PWs) bands (ev): -3.4749 -3.4746 -3.3088 -3.3085 -2.8406 -2.8398 -2.7465 -2.7464 -2.5953 -2.5953 0.5985 0.5987 4.9011 4.9038 4.9469 4.9478 5.4541 5.4572 17.0616 17.0626 21.2299 21.2314 24.9318 24.9336 25.1055 25.1066 k = 0.4873-0.4273 0.3565 ( 1018 PWs) bands (ev): -3.4743 -3.4738 -3.3088 -3.3083 -2.8409 -2.8397 -2.7466 -2.7464 -2.5954 -2.5954 0.5877 0.5880 4.7979 4.8011 4.9604 4.9619 5.5732 5.5764 17.0653 17.0667 21.2325 21.2346 24.8919 24.8973 25.0635 25.0679 k = 0.4875-0.4164 0.3526 ( 1018 PWs) bands (ev): -3.4733 -3.4725 -3.3088 -3.3082 -2.8413 -2.8396 -2.7466 -2.7464 -2.5956 -2.5955 0.5700 0.5704 4.6710 4.6741 5.0027 5.0041 5.7060 5.7093 17.0714 17.0732 21.2360 21.2388 24.8200 24.8295 25.0075 25.0163 k = 0.4878-0.4055 0.3487 ( 1018 PWs) bands (ev): -3.4718 -3.4706 -3.3088 -3.3080 -2.8418 -2.8396 -2.7467 -2.7465 -2.5958 -2.5957 0.5458 0.5463 4.5444 4.5474 5.0538 5.0551 5.8475 5.8508 17.0797 17.0820 21.2402 21.2439 24.7139 24.7269 24.9429 24.9563 k = 0.4881-0.3946 0.3448 ( 1018 PWs) bands (ev): -3.4699 -3.4684 -3.3088 -3.3077 -2.8423 -2.8397 -2.7468 -2.7465 -2.5961 -2.5960 0.5154 0.5160 4.4198 4.4227 5.1141 5.1153 5.9951 5.9985 17.0903 17.0930 21.2451 21.2496 24.5760 24.5920 24.8701 24.8880 k = 0.4884-0.3837 0.3409 ( 1021 PWs) bands (ev): -3.4675 -3.4656 -3.3088 -3.3075 -2.8429 -2.8398 -2.7469 -2.7466 -2.5964 -2.5963 0.4793 0.4801 4.2977 4.3005 5.1836 5.1848 6.1479 6.1513 17.1031 17.1063 21.2503 21.2558 24.4111 24.4299 24.7872 24.8095 k = 0.4887-0.3728 0.3370 ( 1021 PWs) bands (ev): -3.4646 -3.4624 -3.3087 -3.3072 -2.8435 -2.8400 -2.7470 -2.7466 -2.5968 -2.5967 0.4381 0.4390 4.1784 4.1811 5.2625 5.2637 6.3050 6.3085 17.1182 17.1218 21.2554 21.2621 24.2241 24.2458 24.6924 24.7189 k = 0.4890-0.3619 0.3331 ( 1019 PWs) bands (ev): -3.4613 -3.4587 -3.3086 -3.3069 -2.8441 -2.8401 -2.7471 -2.7467 -2.5971 -2.5970 0.3923 0.3933 4.0620 4.0646 5.3503 5.3515 6.4660 6.4696 17.1355 17.1396 21.2598 21.2680 24.0195 24.0439 24.5846 24.6151 k = 0.4893-0.3509 0.3292 ( 1019 PWs) bands (ev): -3.4575 -3.4546 -3.3085 -3.3066 -2.8448 -2.8404 -2.7473 -2.7468 -2.5976 -2.5975 0.3424 0.3436 3.9485 3.9511 5.4467 5.4479 6.6308 6.6345 17.1549 17.1595 21.2629 21.2728 23.8010 23.8284 24.4633 24.4974 k = 0.4896-0.3400 0.3253 ( 1019 PWs) bands (ev): -3.4533 -3.4501 -3.3083 -3.3062 -2.8455 -2.8406 -2.7474 -2.7468 -2.5981 -2.5980 0.2889 0.2903 3.8381 3.8406 5.5513 5.5526 6.7990 6.8028 17.1765 17.1816 21.2634 21.2753 23.5723 23.6031 24.3281 24.3655 k = 0.4899-0.3291 0.3214 ( 1019 PWs) bands (ev): -3.4487 -3.4451 -3.3082 -3.3058 -2.8462 -2.8409 -2.7476 -2.7469 -2.5986 -2.5985 0.2325 0.2339 3.7307 3.7331 5.6636 5.6650 6.9706 6.9745 17.2002 17.2058 21.2595 21.2741 23.3371 23.3719 24.1791 24.2197 k = 0.4901-0.3182 0.3175 ( 1017 PWs) bands (ev): -3.4437 -3.4398 -3.3079 -3.3053 -2.8468 -2.8411 -2.7477 -2.7470 -2.5992 -2.5990 0.1735 0.1751 3.6264 3.6287 5.7833 5.7847 7.1455 7.1495 17.2258 17.2321 21.2489 21.2668 23.0997 23.1393 24.0167 24.0603 k = 0.4904-0.3073 0.3136 ( 1018 PWs) bands (ev): -3.4384 -3.4341 -3.3077 -3.3048 -2.8475 -2.8414 -2.7479 -2.7472 -2.5998 -2.5996 0.1125 0.1142 3.5252 3.5275 5.9098 5.9113 7.3236 7.3277 17.2535 17.2604 21.2275 21.2497 22.8648 22.9104 23.8416 23.8880 k = 0.4907-0.2964 0.3097 ( 1020 PWs) bands (ev): -3.4327 -3.4281 -3.3074 -3.3043 -2.8481 -2.8417 -2.7481 -2.7473 -2.6005 -2.6002 0.0498 0.0517 3.4271 3.4293 6.0427 6.0443 7.5049 7.5090 17.2831 17.2906 21.1900 21.2172 22.6391 22.6917 23.6547 23.7040 k = 0.4910-0.2855 0.3058 ( 1024 PWs) bands (ev): -3.4267 -3.4217 -3.3072 -3.3037 -2.8487 -2.8419 -2.7484 -2.7475 -2.6012 -2.6008 -0.0141 -0.0120 3.3321 3.3342 6.1818 6.1834 7.6892 7.6935 17.3145 17.3227 21.1286 21.1612 22.4308 22.4915 23.4576 23.5100 k = 0.4913-0.2746 0.3019 ( 1028 PWs) bands (ev): -3.4204 -3.4151 -3.3068 -3.3030 -2.8492 -2.8421 -2.7486 -2.7477 -2.6019 -2.6014 -0.0788 -0.0767 3.2402 3.2423 6.3266 6.3283 7.8766 7.8810 17.3476 17.3566 21.0346 21.0721 22.2495 22.3182 23.2525 23.3083 k = 0.4916-0.2637 0.2980 ( 1028 PWs) bands (ev): -3.4138 -3.4081 -3.3064 -3.3023 -2.8496 -2.8423 -2.7488 -2.7478 -2.6026 -2.6020 -0.1441 -0.1418 3.1514 3.1534 6.4767 6.4785 8.0670 8.0715 17.3824 17.3923 20.9015 20.9415 22.1016 22.1768 23.0427 23.1025 k = 0.4919-0.2527 0.2941 ( 1030 PWs) bands (ev): -3.4070 -3.4009 -3.3059 -3.3014 -2.8500 -2.8423 -2.7490 -2.7480 -2.6034 -2.6026 -0.2096 -0.2072 3.0657 3.0677 6.6320 6.6338 8.2603 8.2650 17.4188 17.4296 20.7286 20.7683 21.9849 22.0642 22.8341 22.8981 k = 0.4922-0.2418 0.2902 ( 1030 PWs) bands (ev): -3.4000 -3.3935 -3.3053 -3.3004 -2.8502 -2.8423 -2.7493 -2.7482 -2.6042 -2.6032 -0.2751 -0.2726 2.9832 2.9851 6.7920 6.7940 8.4566 8.4614 17.4566 17.4685 20.5216 20.5588 21.8853 21.9658 22.6369 22.7043 k = 0.4925-0.2309 0.2863 ( 1028 PWs) bands (ev): -3.3928 -3.3860 -3.3046 -3.2993 -2.8502 -2.8421 -2.7495 -2.7483 -2.6050 -2.6038 -0.3403 -0.3376 2.9037 2.9056 6.9566 6.9587 8.6558 8.6608 17.4957 17.5087 20.2890 20.3229 21.7804 21.8569 22.4695 22.5354 k = 0.4928-0.2200 0.2824 ( 1030 PWs) bands (ev): -3.3856 -3.3785 -3.3038 -3.2980 -2.8500 -2.8418 -2.7498 -2.7485 -2.6057 -2.6044 -0.4050 -0.4022 2.8274 2.8291 7.1255 7.1276 8.8579 8.8630 17.5358 17.5502 20.0384 20.0692 21.6462 21.7102 22.3526 22.4083 k = 0.4930-0.2091 0.2785 ( 1030 PWs) bands (ev): -3.3784 -3.3709 -3.3028 -3.2964 -2.8497 -2.8413 -2.7500 -2.7487 -2.6065 -2.6050 -0.4690 -0.4661 2.7541 2.7558 7.2984 7.3006 9.0629 9.0681 17.5769 17.5929 19.7758 19.8039 21.4704 21.5176 22.2900 22.3303 k = 0.4933-0.1982 0.2747 ( 1026 PWs) bands (ev): -3.3713 -3.3635 -3.3016 -3.2946 -2.8491 -2.8407 -2.7502 -2.7489 -2.6073 -2.6055 -0.5321 -0.5290 2.6839 2.6856 7.4752 7.4775 9.2706 9.2760 17.6186 17.6365 19.5053 19.5315 21.2578 21.2912 22.2670 22.2935 k = 0.4936-0.1873 0.2708 ( 1026 PWs) bands (ev): -3.3644 -3.3563 -3.3000 -3.2924 -2.8483 -2.8398 -2.7505 -2.7491 -2.6080 -2.6060 -0.5941 -0.5909 2.6168 2.6184 7.6555 7.6579 9.4812 9.4867 17.6606 17.6807 19.2299 19.2550 21.0194 21.0448 22.2683 22.2848 k = 0.4939-0.1764 0.2669 ( 1026 PWs) bands (ev): -3.3578 -3.3494 -3.2981 -3.2899 -2.8472 -2.8388 -2.7507 -2.7493 -2.6088 -2.6065 -0.6548 -0.6515 2.5528 2.5543 7.8393 7.8418 9.6945 9.7002 17.7022 17.7252 18.9516 18.9767 20.7645 20.7870 22.2844 22.2941 k = 0.4942-0.1654 0.2630 ( 1033 PWs) bands (ev): -3.3517 -3.3432 -3.2957 -3.2869 -2.8459 -2.8376 -2.7510 -2.7495 -2.6096 -2.6070 -0.7141 -0.7108 2.4919 2.4933 8.0262 8.0288 9.9104 9.9163 17.7423 17.7693 18.6721 18.6990 20.4988 20.5221 22.3103 22.3151 k = 0.4945-0.1545 0.2591 ( 1030 PWs) bands (ev): -3.3461 -3.3376 -3.2925 -3.2834 -2.8443 -2.8360 -2.7513 -2.7497 -2.6102 -2.6074 -0.7719 -0.7684 2.4340 2.4354 8.2161 8.2188 10.1290 10.1351 17.7779 17.8116 18.3932 18.4263 20.2265 20.2529 22.3428 22.3444 k = 0.4948-0.1436 0.2552 ( 1032 PWs) bands (ev): -3.3412 -3.3329 -3.2887 -3.2793 -2.8423 -2.8343 -2.7516 -2.7499 -2.6109 -2.6079 -0.8279 -0.8244 2.3791 2.3805 8.4087 8.4115 10.3503 10.3566 17.7963 17.8470 18.1192 18.1727 19.9500 19.9810 22.3785 22.3811 k = 0.4951-0.1327 0.2513 ( 1033 PWs) bands (ev): -3.3369 -3.3290 -3.2842 -3.2748 -2.8400 -2.8322 -2.7518 -2.7501 -2.6116 -2.6082 -0.8821 -0.8786 2.3273 2.3286 8.6038 8.6066 10.5740 10.5806 17.7265 17.7971 17.9268 18.0113 19.6710 19.7083 22.4175 22.4224 k = 0.4954-0.1218 0.2474 ( 1037 PWs) bands (ev): -3.3332 -3.3259 -3.2791 -3.2698 -2.8375 -2.8300 -2.7521 -2.7504 -2.6122 -2.6086 -0.9343 -0.9307 2.2786 2.2797 8.8010 8.8039 10.8003 10.8071 17.5101 17.5424 17.9366 17.9985 19.3907 19.4367 22.4595 22.4665 k = 0.4957-0.1109 0.2435 ( 1035 PWs) bands (ev): -3.3301 -3.3235 -3.2735 -3.2645 -2.8346 -2.8274 -2.7524 -2.7505 -2.6127 -2.6088 -0.9844 -0.9808 2.2328 2.2339 9.0001 9.0031 11.0289 11.0360 17.2506 17.2703 17.9617 18.0284 19.1105 19.1694 22.5036 22.5128 k = 0.4959-0.1000 0.2396 ( 1034 PWs) bands (ev): -3.3275 -3.3216 -3.2677 -3.2590 -2.8314 -2.8246 -2.7526 -2.7507 -2.6131 -2.6091 -1.0322 -1.0286 2.1900 2.1911 9.2007 9.2037 11.2599 11.2672 16.9843 16.9990 17.9789 18.0638 18.8325 18.9120 22.5494 22.5605 k = 0.4962-0.0891 0.2357 ( 1036 PWs) bands (ev): -3.3255 -3.3202 -3.2617 -3.2535 -2.8279 -2.8216 -2.7529 -2.7509 -2.6136 -2.6093 -1.0776 -1.0741 2.1503 2.1513 9.4023 9.4054 11.4930 11.5006 16.7185 16.7306 17.9735 18.0931 18.5622 18.6773 22.5960 22.6091 k = 0.4965-0.0781 0.2318 ( 1034 PWs) bands (ev): -3.3237 -3.3191 -3.2557 -3.2480 -2.8242 -2.8183 -2.7531 -2.7511 -2.6139 -2.6095 -1.1205 -1.1170 2.1135 2.1144 9.6043 9.6075 11.7282 11.7361 16.4556 16.4661 17.9165 18.0822 18.3326 18.4940 22.6432 22.6582 k = 0.4968-0.0672 0.2279 ( 1040 PWs) bands (ev): -3.3223 -3.3182 -3.2500 -3.2428 -2.8204 -2.8151 -2.7534 -2.7513 -2.6142 -2.6097 -1.1607 -1.1573 2.0798 2.0806 9.8061 9.8093 11.9652 11.9735 16.1973 16.2067 17.7756 17.9163 18.2578 18.3940 22.6903 22.7072 k = 0.4971-0.0563 0.2240 ( 1040 PWs) bands (ev): -3.3211 -3.3175 -3.2446 -3.2379 -2.8165 -2.8116 -2.7536 -2.7515 -2.6144 -2.6099 -1.1980 -1.1947 2.0490 2.0497 10.0069 10.0101 12.2038 12.2124 15.9449 15.9534 17.5651 17.6595 18.2735 18.3632 22.7369 22.7558 k = 0.4974-0.0454 0.2201 ( 1040 PWs) bands (ev): -3.3200 -3.3170 -3.2394 -3.2333 -2.8125 -2.8081 -2.7538 -2.7517 -2.6144 -2.6100 -1.2324 -1.2292 2.0211 2.0218 10.2054 10.2087 12.4435 12.4525 15.6999 15.7076 17.3214 17.3884 18.3032 18.3651 22.7826 22.8033 k = 0.4977-0.0345 0.2162 ( 1040 PWs) bands (ev): -3.3192 -3.3165 -3.2346 -3.2291 -2.8086 -2.8047 -2.7540 -2.7519 -2.6145 -2.6102 -1.2636 -1.2606 1.9962 1.9969 10.4003 10.4035 12.6838 12.6932 15.4641 15.4712 17.0644 17.1153 18.3345 18.3797 22.8269 22.8494 k = 0.4980-0.0236 0.2123 ( 1040 PWs) bands (ev): -3.3185 -3.3162 -3.2303 -3.2254 -2.8048 -2.8014 -2.7542 -2.7521 -2.6144 -2.6104 -1.2915 -1.2888 1.9743 1.9748 10.5896 10.5927 12.9237 12.9336 15.2401 15.2466 16.8028 16.8434 18.3646 18.3988 22.8693 22.8935 k = 0.4983-0.0127 0.2084 ( 1039 PWs) bands (ev): -3.3178 -3.3160 -3.2264 -3.2222 -2.8012 -2.7983 -2.7543 -2.7523 -2.6142 -2.6105 -1.3160 -1.3136 1.9553 1.9558 10.7706 10.7736 13.1618 13.1721 15.0313 15.0373 16.5410 16.5744 18.3923 18.4186 22.9095 22.9349 k = 0.4986-0.0018 0.2045 ( 1039 PWs) bands (ev): -3.3173 -3.3158 -3.2231 -3.2195 -2.7980 -2.7955 -2.7544 -2.7526 -2.6140 -2.6107 -1.3370 -1.3349 1.9393 1.9397 10.9398 10.9427 13.3951 13.4057 14.8430 14.8484 16.2819 16.3101 18.4168 18.4370 22.9471 22.9729 k = 0.4988 0.0092 0.2006 ( 1039 PWs) bands (ev): -3.3169 -3.3157 -3.2202 -3.2174 -2.7952 -2.7931 -2.7544 -2.7528 -2.6137 -2.6110 -1.3542 -1.3525 1.9262 1.9265 11.0927 11.0952 13.6177 13.6284 14.6834 14.6884 16.0288 16.0527 18.4377 18.4529 22.9814 23.0067 k = 0.4991 0.0201 0.1967 ( 1040 PWs) bands (ev): -3.3165 -3.3156 -3.2180 -3.2158 -2.7928 -2.7913 -2.7544 -2.7531 -2.6134 -2.6112 -1.3678 -1.3665 1.9160 1.9162 11.2233 11.2254 13.8164 13.8265 14.5674 14.5721 15.7870 15.8071 18.4547 18.4656 23.0119 23.0348 k = 0.4994 0.0310 0.1928 ( 1038 PWs) bands (ev): -3.3162 -3.3156 -3.2162 -3.2147 -2.7910 -2.7899 -2.7543 -2.7534 -2.6130 -2.6115 -1.3774 -1.3765 1.9087 1.9089 11.3246 11.3262 13.9637 13.9714 14.5198 14.5248 15.5670 15.5830 18.4675 18.4745 23.0375 23.0554 k = 0.4997 0.0419 0.1889 ( 1036 PWs) bands (ev): -3.3160 -3.3157 -3.2150 -3.2142 -2.7897 -2.7892 -2.7541 -2.7536 -2.6126 -2.6119 -1.3831 -1.3827 1.9044 1.9044 11.3895 11.3903 14.0334 14.0371 14.5496 14.5542 15.3949 15.4048 18.4759 18.4794 23.0565 23.0666 k = 0.5000 0.0528 0.1850 ( 1038 PWs) bands (ev): -3.3158 -3.3158 -3.2143 -3.2143 -2.7892 -2.7892 -2.7539 -2.7539 -2.6123 -2.6123 -1.3849 -1.3849 1.9029 1.9029 11.4121 11.4121 14.0492 14.0492 14.5843 14.5843 15.3268 15.3268 18.4798 18.4798 23.0668 23.0668 k = 0.5000 0.0528 0.1850 ( 1038 PWs) bands (ev): -3.3158 -3.3158 -3.2143 -3.2143 -2.7892 -2.7892 -2.7539 -2.7539 -2.6123 -2.6123 -1.3849 -1.3849 1.9029 1.9029 11.4121 11.4121 14.0492 14.0492 14.5843 14.5843 15.3268 15.3268 18.4798 18.4798 23.0668 23.0668 k = 0.4958 0.0566 0.1952 ( 1038 PWs) bands (ev): -3.3157 -3.3155 -3.2145 -3.2141 -2.7893 -2.7890 -2.7547 -2.7534 -2.6134 -2.6116 -1.3833 -1.3830 1.9043 1.9044 11.4130 11.4131 14.0502 14.0509 14.5853 14.5858 15.3279 15.3279 18.4579 18.4579 23.0313 23.0314 k = 0.4917 0.0603 0.2054 ( 1034 PWs) bands (ev): -3.3150 -3.3145 -3.2147 -3.2139 -2.7894 -2.7887 -2.7558 -2.7531 -2.6152 -2.6116 -1.3783 -1.3777 1.9086 1.9088 11.4158 11.4160 14.0539 14.0553 14.5887 14.5897 15.3312 15.3313 18.3934 18.3935 22.9294 22.9297 k = 0.4875 0.0641 0.2156 ( 1034 PWs) bands (ev): -3.3139 -3.3132 -3.2148 -3.2136 -2.7894 -2.7883 -2.7572 -2.7531 -2.6175 -2.6121 -1.3698 -1.3690 1.9158 1.9160 11.4206 11.4209 14.0603 14.0623 14.5947 14.5961 15.3366 15.3367 18.2901 18.2902 22.7724 22.7729 k = 0.4833 0.0678 0.2258 ( 1034 PWs) bands (ev): -3.3124 -3.3114 -3.2150 -3.2134 -2.7893 -2.7879 -2.7588 -2.7535 -2.6203 -2.6132 -1.3579 -1.3568 1.9258 1.9262 11.4272 11.4277 14.0693 14.0720 14.6029 14.6049 15.3441 15.3444 18.1529 18.1531 22.5736 22.5743 k = 0.4792 0.0716 0.2360 ( 1036 PWs) bands (ev): -3.3104 -3.3092 -3.2151 -3.2131 -2.7892 -2.7874 -2.7607 -2.7541 -2.6236 -2.6148 -1.3426 -1.3413 1.9388 1.9392 11.4358 11.4363 14.0808 14.0842 14.6134 14.6159 15.3538 15.3541 17.9877 17.9879 22.3449 22.3457 k = 0.4750 0.0753 0.2462 ( 1036 PWs) bands (ev): -3.3080 -3.3065 -3.2151 -3.2128 -2.7891 -2.7869 -2.7627 -2.7550 -2.6272 -2.6169 -1.3240 -1.3225 1.9546 1.9551 11.4461 11.4467 14.0947 14.0989 14.6259 14.6290 15.3657 15.3661 17.8001 17.8004 22.0952 22.0961 k = 0.4708 0.0791 0.2563 ( 1036 PWs) bands (ev): -3.3052 -3.3034 -3.2152 -3.2124 -2.7889 -2.7863 -2.7649 -2.7561 -2.6313 -2.6195 -1.3020 -1.3004 1.9733 1.9739 11.4582 11.4590 14.1109 14.1158 14.6403 14.6439 15.3797 15.3801 17.5953 17.5957 21.8312 21.8322 k = 0.4667 0.0828 0.2665 ( 1034 PWs) bands (ev): -3.3020 -3.3000 -3.2152 -3.2121 -2.7887 -2.7856 -2.7671 -2.7574 -2.6357 -2.6225 -1.2769 -1.2750 1.9950 1.9957 11.4721 11.4730 14.1289 14.1347 14.6562 14.6604 15.3957 15.3963 17.3780 17.3784 21.5575 21.5586 k = 0.4625 0.0866 0.2767 ( 1034 PWs) bands (ev): -3.2984 -3.2961 -3.2153 -3.2117 -2.7885 -2.7850 -2.7693 -2.7589 -2.6404 -2.6260 -1.2485 -1.2465 2.0195 2.0203 11.4876 11.4886 14.1485 14.1551 14.6731 14.6779 15.4139 15.4145 17.1524 17.1529 21.2775 21.2787 k = 0.4583 0.0903 0.2869 ( 1032 PWs) bands (ev): -3.2945 -3.2919 -3.2153 -3.2114 -2.7885 -2.7844 -2.7715 -2.7604 -2.6454 -2.6297 -1.2170 -1.2149 2.0470 2.0478 11.5048 11.5058 14.1691 14.1766 14.6905 14.6958 15.4341 15.4348 16.9224 16.9230 20.9936 20.9948 k = 0.4542 0.0941 0.2971 ( 1030 PWs) bands (ev): -3.2903 -3.2874 -3.2153 -3.2110 -2.7885 -2.7837 -2.7734 -2.7620 -2.6505 -2.6338 -1.1824 -1.1802 2.0774 2.0783 11.5234 11.5246 14.1897 14.1982 14.7074 14.7134 15.4561 15.4570 16.6920 16.6927 20.7075 20.7087 k = 0.4500 0.0978 0.3073 ( 1032 PWs) bands (ev): -3.2860 -3.2827 -3.2153 -3.2106 -2.7888 -2.7832 -2.7750 -2.7636 -2.6558 -2.6382 -1.1447 -1.1425 2.1107 2.1118 11.5434 11.5447 14.2088 14.2184 14.7226 14.7292 15.4799 15.4809 16.4658 16.4666 20.4205 20.4218 k = 0.4458 0.1015 0.3175 ( 1034 PWs) bands (ev): -3.2814 -3.2779 -3.2153 -3.2103 -2.7895 -2.7828 -2.7762 -2.7650 -2.6613 -2.6429 -1.1041 -1.1018 2.1470 2.1481 11.5647 11.5660 14.2239 14.2346 14.7347 14.7419 15.5051 15.5065 16.2495 16.2504 20.1338 20.1351 k = 0.4417 0.1053 0.3277 ( 1038 PWs) bands (ev): -3.2768 -3.2728 -3.2153 -3.2099 -2.7905 -2.7827 -2.7768 -2.7662 -2.6668 -2.6478 -1.0605 -1.0582 2.1862 2.1875 11.5871 11.5885 14.2306 14.2423 14.7421 14.7499 15.5312 15.5330 16.0508 16.0517 19.8482 19.8495 k = 0.4375 0.1090 0.3379 ( 1038 PWs) bands (ev): -3.2720 -3.2676 -3.2153 -3.2096 -2.7918 -2.7828 -2.7769 -2.7671 -2.6724 -2.6528 -1.0141 -1.0117 2.2285 2.2298 11.6104 11.6119 14.2215 14.2340 14.7443 14.7522 15.5565 15.5593 15.8804 15.8809 19.5644 19.5657 k = 0.4333 0.1128 0.3481 ( 1034 PWs) bands (ev): -3.2670 -3.2623 -3.2152 -3.2093 -2.7931 -2.7831 -2.7767 -2.7674 -2.6779 -2.6580 -0.9648 -0.9624 2.2737 2.2750 11.6344 11.6361 14.1854 14.1980 14.7439 14.7511 15.5749 15.5799 15.7529 15.7542 19.2832 19.2845 k = 0.4292 0.1165 0.3582 ( 1034 PWs) bands (ev): -3.2622 -3.2570 -3.2152 -3.2090 -2.7944 -2.7837 -2.7761 -2.7674 -2.6835 -2.6633 -0.9126 -0.9103 2.3218 2.3233 11.6590 11.6607 14.1100 14.1217 14.7472 14.7528 15.5678 15.5761 15.6934 15.6974 19.0051 19.0062 k = 0.4250 0.1203 0.3684 ( 1036 PWs) bands (ev): -3.2574 -3.2518 -3.2152 -3.2087 -2.7956 -2.7845 -2.7754 -2.7671 -2.6890 -2.6687 -0.8577 -0.8554 2.3730 2.3746 11.6838 11.6856 13.9889 13.9991 14.7610 14.7641 15.5405 15.5492 15.7009 15.7046 18.7305 18.7316 k = 0.4208 0.1240 0.3786 ( 1036 PWs) bands (ev): -3.2527 -3.2466 -3.2152 -3.2085 -2.7965 -2.7853 -2.7745 -2.7665 -2.6945 -2.6741 -0.8001 -0.7978 2.4272 2.4288 11.7084 11.7103 13.8263 13.8349 14.7875 14.7880 15.5281 15.5369 15.7309 15.7339 18.4602 18.4612 k = 0.4167 0.1278 0.3888 ( 1038 PWs) bands (ev): -3.2481 -3.2417 -3.2153 -3.2083 -2.7970 -2.7860 -2.7735 -2.7657 -2.6998 -2.6796 -0.7398 -0.7375 2.4844 2.4862 11.7325 11.7345 13.6324 13.6397 14.8234 14.8252 15.5368 15.5461 15.7675 15.7704 18.1947 18.1955 k = 0.4125 0.1315 0.3990 ( 1040 PWs) bands (ev): -3.2438 -3.2370 -3.2153 -3.2082 -2.7973 -2.7866 -2.7725 -2.7649 -2.7049 -2.6851 -0.6767 -0.6746 2.5447 2.5465 11.7556 11.7576 13.4171 13.4234 14.8682 14.8719 15.5626 15.5726 15.8075 15.8106 17.9347 17.9352 k = 0.4083 0.1353 0.4092 ( 1040 PWs) bands (ev): -3.2397 -3.2325 -3.2153 -3.2081 -2.7970 -2.7869 -2.7714 -2.7640 -2.7097 -2.6905 -0.6111 -0.6090 2.6080 2.6099 11.7771 11.7792 13.1880 13.1936 14.9203 14.9257 15.6013 15.6120 15.8496 15.8532 17.6810 17.6810 k = 0.4042 0.1390 0.4194 ( 1036 PWs) bands (ev): -3.2358 -3.2283 -3.2152 -3.2081 -2.7963 -2.7870 -2.7702 -2.7631 -2.7142 -2.6958 -0.5428 -0.5407 2.6743 2.6763 11.7963 11.7984 12.9504 12.9555 14.9783 14.9852 15.6496 15.6614 15.8933 15.8979 17.4339 17.4346 k = 0.4000 0.1428 0.4296 ( 1034 PWs) bands (ev): -3.2323 -3.2247 -3.2150 -3.2082 -2.7952 -2.7868 -2.7691 -2.7624 -2.7183 -2.7010 -0.4719 -0.4699 2.7437 2.7458 11.8120 11.8141 12.7079 12.7127 15.0413 15.0495 15.7056 15.7184 15.9379 15.9439 17.1947 17.1965 k = 0.3958 0.1465 0.4398 ( 1034 PWs) bands (ev): -3.2291 -3.2219 -3.2144 -3.2083 -2.7936 -2.7865 -2.7680 -2.7619 -2.7218 -2.7060 -0.3985 -0.3965 2.8162 2.8184 11.8227 11.8248 12.4638 12.4683 15.1086 15.1180 15.7676 15.7817 15.9824 15.9907 16.9650 16.9685 k = 0.3917 0.1503 0.4500 ( 1038 PWs) bands (ev): -3.2263 -3.2201 -3.2133 -3.2085 -2.7917 -2.7861 -2.7669 -2.7616 -2.7245 -2.7107 -0.3225 -0.3206 2.8918 2.8940 11.8242 11.8262 12.2227 12.2271 15.1797 15.1903 15.8345 15.8503 16.0246 16.0372 16.7469 16.7536 k = 0.3875 0.1540 0.4601 ( 1036 PWs) bands (ev): -3.2239 -3.2193 -3.2116 -3.2087 -2.7894 -2.7857 -2.7659 -2.7614 -2.7264 -2.7150 -0.2440 -0.2422 2.9704 2.9727 11.7978 11.7999 12.0033 12.0077 15.2543 15.2661 15.9050 15.9234 16.0593 16.0802 16.5453 16.5585 k = 0.3833 0.1578 0.4703 ( 1038 PWs) bands (ev): -3.2220 -3.2192 -3.2098 -3.2089 -2.7869 -2.7856 -2.7650 -2.7613 -2.7273 -2.7189 -0.1630 -0.1613 3.0521 3.0545 11.6588 11.6617 11.8902 11.8936 15.3320 15.3449 15.9755 15.9997 16.0684 16.1078 16.3762 16.4029 k = 0.3792 0.1615 0.4805 ( 1036 PWs) bands (ev): -3.2206 -3.2193 -3.2094 -3.2078 -2.7861 -2.7844 -2.7641 -2.7610 -2.7273 -2.7221 -0.0796 -0.0780 3.1369 3.1394 11.4321 11.4353 11.8577 11.8606 15.4125 15.4265 16.0031 16.0085 16.0851 16.1029 16.2956 16.3307 k = 0.3750 0.1653 0.4907 ( 1030 PWs) bands (ev): -3.2200 -3.2193 -3.2095 -3.2063 -2.7872 -2.7820 -2.7633 -2.7601 -2.7264 -2.7244 0.0062 0.0078 3.2248 3.2274 11.1910 11.1942 11.8317 11.8343 15.4950 15.5101 15.8804 15.9018 16.1607 16.1682 16.3116 16.3383 k = 0.3708 0.1690 0.5009 ( 1028 PWs) bands (ev): -3.2204 -3.2190 -3.2095 -3.2051 -2.7892 -2.7803 -2.7623 -2.7587 -2.7256 -2.7246 0.0944 0.0959 3.3158 3.3185 10.9477 10.9510 11.7987 11.8012 15.5756 15.5917 15.7465 15.7663 16.2422 16.2552 16.3574 16.3776 k = 0.3667 0.1728 0.5111 ( 1026 PWs) bands (ev): -3.2210 -3.2193 -3.2094 -3.2043 -2.7918 -2.7796 -2.7610 -2.7568 -2.7257 -2.7222 0.1850 0.1864 3.4099 3.4127 10.7050 10.7082 11.7553 11.7576 15.5827 15.5997 15.6954 15.7139 16.3279 16.3444 16.4127 16.4287 k = 0.3625 0.1765 0.5213 ( 1026 PWs) bands (ev): -3.2218 -3.2200 -3.2092 -3.2038 -2.7949 -2.7801 -2.7593 -2.7546 -2.7246 -2.7191 0.2778 0.2791 3.5071 3.5100 10.4637 10.4670 11.6994 11.7017 15.4757 15.4924 15.7748 15.7940 16.4133 16.4330 16.4753 16.4881 k = 0.3583 0.1803 0.5315 ( 1024 PWs) bands (ev): -3.2226 -3.2211 -3.2089 -3.2035 -2.7984 -2.7816 -2.7573 -2.7522 -2.7222 -2.7154 0.3728 0.3740 3.6073 3.6104 10.2246 10.2278 11.6301 11.6323 15.3750 15.3914 15.8671 15.8875 16.4915 16.5126 16.5497 16.5616 k = 0.3542 0.1840 0.5417 ( 1022 PWs) bands (ev): -3.2236 -3.2225 -3.2087 -3.2036 -2.8020 -2.7840 -2.7551 -2.7498 -2.7187 -2.7111 0.4700 0.4712 3.7107 3.7139 9.9878 9.9910 11.5466 11.5488 15.2910 15.3073 15.9632 15.9850 16.5592 16.5788 16.6380 16.6524 k = 0.3500 0.1878 0.5519 ( 1022 PWs) bands (ev): -3.2247 -3.2241 -3.2085 -3.2038 -2.8057 -2.7869 -2.7530 -2.7473 -2.7143 -2.7064 0.5693 0.5704 3.8171 3.8204 9.7537 9.7569 11.4490 11.4511 15.2250 15.2415 16.0620 16.0852 16.6211 16.6394 16.7347 16.7516 k = 0.3458 0.1915 0.5620 ( 1022 PWs) bands (ev): -3.2262 -3.2256 -3.2084 -3.2043 -2.8095 -2.7901 -2.7511 -2.7450 -2.7092 -2.7012 0.6706 0.6716 3.9265 3.9300 9.5225 9.5258 11.3376 11.3397 15.1771 15.1939 16.1632 16.1878 16.6805 16.6982 16.8359 16.8550 k = 0.3417 0.1953 0.5722 ( 1024 PWs) bands (ev): -3.2282 -3.2270 -3.2084 -3.2049 -2.8133 -2.7935 -2.7492 -2.7427 -2.7035 -2.6957 0.7739 0.7747 4.0391 4.0427 9.2944 9.2978 11.2133 11.2154 15.1466 15.1639 16.2663 16.2926 16.7382 16.7557 16.9401 16.9612 k = 0.3375 0.1990 0.5824 ( 1022 PWs) bands (ev): -3.2303 -3.2283 -3.2084 -3.2057 -2.8169 -2.7969 -2.7475 -2.7406 -2.6975 -2.6899 0.8789 0.8796 4.1546 4.1584 9.0697 9.0731 11.0771 11.0793 15.1324 15.1503 16.3714 16.3994 16.7942 16.8119 17.0467 17.0698 k = 0.3333 0.2028 0.5926 ( 1022 PWs) bands (ev): -3.2326 -3.2297 -3.2086 -3.2065 -2.8205 -2.8004 -2.7459 -2.7386 -2.6911 -2.6838 0.9856 0.9862 4.2732 4.2771 8.8485 8.8520 10.9304 10.9328 15.1333 15.1519 16.4782 16.5079 16.8481 16.8661 17.1553 17.1804 k = 0.3292 0.2065 0.6028 ( 1026 PWs) bands (ev): -3.2349 -3.2312 -3.2088 -3.2075 -2.8240 -2.8038 -2.7444 -2.7368 -2.6847 -2.6777 1.0938 1.0943 4.3947 4.3989 8.6311 8.6346 10.7747 10.7772 15.1478 15.1672 16.5864 16.6179 16.8996 16.9181 17.2655 17.2927 k = 0.3250 0.2103 0.6130 ( 1026 PWs) bands (ev): -3.2372 -3.2328 -3.2091 -3.2084 -2.8273 -2.8071 -2.7430 -2.7350 -2.6781 -2.6715 1.2033 1.2037 4.5192 4.5236 8.4177 8.4213 10.6113 10.6139 15.1745 15.1949 16.6959 16.7292 16.9483 16.9673 17.3770 17.4064 k = 0.3208 0.2140 0.6232 ( 1026 PWs) bands (ev): -3.2395 -3.2343 -3.2096 -3.2092 -2.8305 -2.8103 -2.7417 -2.7334 -2.6716 -2.6653 1.3139 1.3143 4.6466 4.6513 8.2086 8.2123 10.4415 10.4443 15.2119 15.2334 16.8063 16.8412 16.9938 17.0130 17.4895 17.5214 k = 0.3167 0.2178 0.6334 ( 1026 PWs) bands (ev): -3.2418 -3.2360 -3.2106 -3.2096 -2.8335 -2.8134 -2.7404 -2.7318 -2.6652 -2.6592 1.4255 1.4257 4.7769 4.7818 8.0041 8.0078 10.2665 10.2696 15.2588 15.2815 16.9174 16.9520 17.0370 17.0547 17.6027 17.6372 k = 0.3125 0.2215 0.6436 ( 1026 PWs) bands (ev): -3.2441 -3.2376 -3.2116 -3.2100 -2.8364 -2.8163 -2.7393 -2.7304 -2.6589 -2.6533 1.5376 1.5376 4.9100 4.9152 7.8045 7.8083 10.0875 10.0909 15.3139 15.3381 17.0284 17.0461 17.0917 17.0928 17.7161 17.7535 k = 0.3083 0.2253 0.6538 ( 1024 PWs) bands (ev): -3.2463 -3.2392 -3.2126 -3.2104 -2.8391 -2.8190 -2.7382 -2.7290 -2.6528 -2.6474 1.6498 1.6499 5.0459 5.0515 7.6102 7.6142 9.9055 9.9091 15.3761 15.4020 17.0890 17.1186 17.1445 17.1937 17.8292 17.8699 k = 0.3042 0.2290 0.6639 ( 1024 PWs) bands (ev): -3.2484 -3.2407 -3.2135 -3.2108 -2.8416 -2.8216 -2.7371 -2.7278 -2.6470 -2.6419 1.7617 1.7619 5.1845 5.1905 7.4216 7.4258 9.7213 9.7253 15.4444 15.4723 17.1139 17.1459 17.2532 17.3060 17.9416 17.9859 k = 0.3000 0.2328 0.6741 ( 1024 PWs) bands (ev): -3.2505 -3.2423 -3.2145 -3.2113 -2.8439 -2.8240 -2.7361 -2.7266 -2.6414 -2.6365 1.8729 1.8733 5.3256 5.3321 7.2395 7.2438 9.5356 9.5400 15.5179 15.5481 17.1299 17.1640 17.3630 17.4192 18.0525 18.1009 k = 0.2958 0.2365 0.6843 ( 1026 PWs) bands (ev): -3.2524 -3.2438 -3.2154 -3.2117 -2.8461 -2.8263 -2.7353 -2.7256 -2.6362 -2.6315 1.9827 1.9832 5.4693 5.4763 7.0643 7.0689 9.3492 9.3541 15.5955 15.6285 17.1375 17.1744 17.4714 17.5317 18.1613 18.2142 k = 0.2917 0.2403 0.6945 ( 1026 PWs) bands (ev): -3.2543 -3.2452 -3.2162 -3.2121 -2.8481 -2.8283 -2.7344 -2.7246 -2.6314 -2.6268 2.0904 2.0910 5.6151 5.6229 6.8969 6.9018 9.1627 9.1681 15.6765 15.7128 17.1363 17.1768 17.5774 17.6424 18.2670 18.3251 k = 0.2875 0.2440 0.7047 ( 1028 PWs) bands (ev): -3.2559 -3.2465 -3.2170 -3.2125 -2.8499 -2.8302 -2.7337 -2.7237 -2.6269 -2.6225 2.1950 2.1958 5.7630 5.7717 6.7384 6.7436 8.9766 8.9827 15.7600 15.8002 17.1260 17.1709 17.6801 17.7502 18.3686 18.4324 k = 0.2833 0.2478 0.7149 ( 1030 PWs) bands (ev): -3.2575 -3.2478 -3.2177 -3.2129 -2.8515 -2.8318 -2.7330 -2.7229 -2.6228 -2.6186 2.2954 2.2964 5.9122 5.9222 6.5899 6.5958 8.7916 8.7985 15.8449 15.8900 17.1066 17.1567 17.7783 17.8542 18.4650 18.5352 k = 0.2792 0.2515 0.7251 ( 1028 PWs) bands (ev): -3.2589 -3.2489 -3.2183 -3.2132 -2.8528 -2.8333 -2.7324 -2.7222 -2.6191 -2.6150 2.3904 2.3916 6.0615 6.0736 6.4534 6.4605 8.6082 8.6162 15.9303 15.9815 17.0779 17.1346 17.8709 17.9530 18.5548 18.6320 k = 0.2750 0.2553 0.7353 ( 1028 PWs) bands (ev): -3.2601 -3.2498 -3.2189 -3.2135 -2.8541 -2.8345 -2.7319 -2.7216 -2.6159 -2.6119 2.4785 2.4798 6.2015 6.2188 6.3370 6.3481 8.4273 8.4366 16.0148 16.0739 17.0404 17.1053 17.9563 18.0450 18.6366 18.7213 k = 0.2708 0.2590 0.7455 ( 1028 PWs) bands (ev): -3.2611 -3.2507 -3.2194 -3.2138 -2.8551 -2.8356 -2.7315 -2.7211 -2.6132 -2.6093 2.5578 2.5594 6.2042 6.2064 6.3872 6.3928 8.2498 8.2610 16.0970 16.1663 16.9946 17.0701 18.0330 18.1284 18.7089 18.8015 k = 0.2667 0.2628 0.7557 ( 1026 PWs) bands (ev): -3.2619 -3.2514 -3.2198 -3.2140 -2.8559 -2.8365 -2.7311 -2.7207 -2.6109 -2.6071 2.6266 2.6283 6.1159 6.1179 6.5296 6.5418 8.0776 8.0913 16.1745 16.2576 16.9413 17.0309 18.0992 18.2011 18.7702 18.8707 k = 0.2625 0.2665 0.7658 ( 1028 PWs) bands (ev): -3.2626 -3.2519 -3.2201 -3.2142 -2.8566 -2.8372 -2.7309 -2.7204 -2.6091 -2.6054 2.6829 2.6847 6.0406 6.0437 6.6728 6.6895 7.9139 7.9311 16.2444 16.3463 16.8822 16.9908 18.1531 18.2610 18.8192 18.9270 k = 0.2583 0.2703 0.7760 ( 1032 PWs) bands (ev): -3.2631 -3.2524 -3.2204 -3.2144 -2.8571 -2.8377 -2.7307 -2.7202 -2.6079 -2.6042 2.7247 2.7267 5.9847 5.9884 6.8041 6.8264 7.7658 7.7882 16.3021 16.4293 16.8202 16.9543 18.1931 18.3059 18.8549 18.9686 k = 0.2542 0.2740 0.7862 ( 1030 PWs) bands (ev): -3.2634 -3.2526 -3.2205 -3.2144 -2.8573 -2.8380 -2.7306 -2.7201 -2.6071 -2.6034 2.7505 2.7526 5.9505 5.9544 6.9059 6.9351 7.6505 7.6796 16.3413 16.4991 16.7630 16.9278 18.2177 18.3337 18.8766 18.9943 k = 0.2500 0.2778 0.7964 ( 1032 PWs) bands (ev): -3.2635 -3.2527 -3.2205 -3.2145 -2.8574 -2.8381 -2.7306 -2.7200 -2.6069 -2.6032 2.7593 2.7613 5.9389 5.9429 6.9469 6.9801 7.6032 7.6364 16.3554 16.5313 16.7350 16.9179 18.2260 18.3432 18.8838 19.0029 k = 0.3087-0.2778 0.7964 ( 1041 PWs) bands (ev): -3.2743 -3.2724 -3.2088 -3.2080 -2.8515 -2.8495 -2.7330 -2.7326 -2.6749 -2.6744 2.5623 2.5625 6.6379 6.6427 7.5286 7.5300 7.8108 7.8228 8.3547 8.3634 17.6039 17.6063 18.7131 18.7154 20.1066 20.1066 k = 0.3128-0.2815 0.7863 ( 1037 PWs) bands (ev): -3.2777 -3.2759 -3.2068 -3.2060 -2.8507 -2.8487 -2.7325 -2.7321 -2.6801 -2.6796 2.4953 2.4954 6.7725 6.7799 7.4194 7.4216 7.7031 7.7192 8.2506 8.2615 17.8273 17.8298 18.9267 18.9291 20.3066 20.3066 k = 0.3170-0.2853 0.7761 ( 1037 PWs) bands (ev): -3.2813 -3.2796 -3.2049 -3.2042 -2.8499 -2.8479 -2.7320 -2.7316 -2.6853 -2.6848 2.4248 2.4249 6.8874 6.8992 7.3123 7.3155 7.6102 7.6321 8.1638 8.1771 18.0531 18.0558 19.1421 19.1446 20.5096 20.5097 k = 0.3211-0.2890 0.7660 ( 1035 PWs) bands (ev): -3.2852 -3.2835 -3.2031 -3.2024 -2.8491 -2.8470 -2.7316 -2.7312 -2.6904 -2.6898 2.3519 2.3520 6.9614 6.9793 7.2080 7.2127 7.5393 7.5678 8.1074 8.1227 18.2812 18.2840 19.3592 19.3618 20.7154 20.7155 k = 0.3253-0.2927 0.7559 ( 1031 PWs) bands (ev): -3.2893 -3.2877 -3.2015 -3.2008 -2.8482 -2.8461 -2.7314 -2.7310 -2.6950 -2.6944 2.2774 2.2776 6.9751 6.9979 7.1084 7.1146 7.4907 7.5226 8.1024 8.1178 18.5115 18.5144 19.5778 19.5806 20.9239 20.9239 k = 0.3294-0.2964 0.7457 ( 1031 PWs) bands (ev): -3.2936 -3.2921 -3.2000 -3.1994 -2.8473 -2.8452 -2.7317 -2.7312 -2.6990 -2.6985 2.2021 2.2022 6.9320 6.9536 7.0169 7.0219 7.4456 7.4748 8.1656 8.1782 18.7438 18.7469 19.7978 19.8007 21.1345 21.1345 k = 0.3335-0.3002 0.7356 ( 1029 PWs) bands (ev): -3.2982 -3.2967 -3.1988 -3.1982 -2.8464 -2.8443 -2.7326 -2.7320 -2.7021 -2.7015 2.1265 2.1266 6.8557 6.8720 6.9302 6.9318 7.3860 7.4099 8.2904 8.2995 18.9781 18.9814 20.0189 20.0220 21.3471 21.3472 k = 0.3377-0.3039 0.7254 ( 1031 PWs) bands (ev): -3.3030 -3.3015 -3.1979 -3.1973 -2.8456 -2.8435 -2.7343 -2.7337 -2.7040 -2.7035 2.0511 2.0512 6.7669 6.7790 6.8397 6.8410 7.3113 7.3306 8.4570 8.4634 19.2142 19.2177 20.2410 20.2443 21.5613 21.5614 k = 0.3418-0.3076 0.7153 ( 1031 PWs) bands (ev): -3.3080 -3.3066 -3.1972 -3.1967 -2.8448 -2.8426 -2.7369 -2.7363 -2.7046 -2.7041 1.9762 1.9764 6.6746 6.6843 6.7463 6.7482 7.2275 7.2434 8.6497 8.6542 19.4521 19.4557 20.4638 20.4673 21.7768 21.7769 k = 0.3460-0.3114 0.7052 ( 1033 PWs) bands (ev): -3.3132 -3.3118 -3.1969 -3.1965 -2.8440 -2.8418 -2.7402 -2.7395 -2.7041 -2.7037 1.9023 1.9024 6.5821 6.5904 6.6525 6.6545 7.1393 7.1526 8.8592 8.8626 19.6914 19.6953 20.6871 20.6908 21.9930 21.9931 k = 0.3501-0.3151 0.6950 ( 1033 PWs) bands (ev): -3.3186 -3.3173 -3.1970 -3.1965 -2.8433 -2.8411 -2.7439 -2.7431 -2.7027 -2.7023 1.8295 1.8296 6.4906 6.4981 6.5593 6.5611 7.0493 7.0609 9.0806 9.0832 19.9321 19.9362 20.9106 20.9145 22.2097 22.2098 k = 0.3543-0.3188 0.6849 ( 1030 PWs) bands (ev): -3.3242 -3.3229 -3.1974 -3.1970 -2.8426 -2.8404 -2.7476 -2.7468 -2.7006 -2.7002 1.7580 1.7582 6.4008 6.4076 6.4674 6.4690 6.9594 6.9696 9.3108 9.3130 20.1739 20.1784 21.1340 21.1382 22.4261 22.4263 k = 0.3584-0.3226 0.6747 ( 1030 PWs) bands (ev): -3.3299 -3.3287 -3.1983 -3.1979 -2.8419 -2.8398 -2.7513 -2.7505 -2.6980 -2.6976 1.6882 1.6883 6.3129 6.3193 6.3773 6.3787 6.8704 6.8795 9.5482 9.5500 20.4167 20.4214 21.3570 21.3614 22.6415 22.6417 k = 0.3626-0.3263 0.6646 ( 1029 PWs) bands (ev): -3.3358 -3.3347 -3.1996 -3.1992 -2.8414 -2.8392 -2.7548 -2.7540 -2.6950 -2.6946 1.6200 1.6202 6.2271 6.2331 6.2893 6.2906 6.7830 6.7913 9.7915 9.7930 20.6600 20.6650 21.5790 21.5837 22.8552 22.8554 k = 0.3667-0.3300 0.6545 ( 1029 PWs) bands (ev): -3.3419 -3.3408 -3.2013 -3.2010 -2.8409 -2.8387 -2.7581 -2.7573 -2.6916 -2.6912 1.5537 1.5539 6.1436 6.1493 6.2037 6.2048 6.6977 6.7052 10.0399 10.0412 20.9036 20.9090 21.7999 21.8049 23.0660 23.0663 k = 0.3709-0.3338 0.6443 ( 1028 PWs) bands (ev): -3.3481 -3.3470 -3.2035 -3.2032 -2.8404 -2.8383 -2.7609 -2.7602 -2.6879 -2.6876 1.4894 1.4895 6.0623 6.0678 6.1206 6.1216 6.6146 6.6215 10.2928 10.2939 21.1471 21.1529 22.0189 22.0243 23.2729 23.2732 k = 0.3750-0.3375 0.6342 ( 1026 PWs) bands (ev): -3.3543 -3.3533 -3.2062 -3.2059 -2.8400 -2.8380 -2.7634 -2.7626 -2.6840 -2.6837 1.4270 1.4272 5.9835 5.9887 6.0400 6.0409 6.5340 6.5404 10.5497 10.5507 21.3899 21.3962 22.2357 22.2415 23.4744 23.4748 k = 0.3792-0.3412 0.6240 ( 1023 PWs) bands (ev): -3.3607 -3.3597 -3.2092 -3.2090 -2.8397 -2.8377 -2.7654 -2.7647 -2.6799 -2.6796 1.3668 1.3669 5.9071 5.9122 5.9621 5.9630 6.4559 6.4620 10.8103 10.8113 21.6316 21.6383 22.4496 22.4558 23.6690 23.6694 k = 0.3833-0.3450 0.6139 ( 1025 PWs) bands (ev): -3.3671 -3.3661 -3.2127 -3.2125 -2.8394 -2.8375 -2.7671 -2.7664 -2.6757 -2.6754 1.3087 1.3088 5.8333 5.8382 5.8868 5.8877 6.3806 6.3863 11.0743 11.0752 21.8712 21.8785 22.6600 22.6667 23.8547 23.8552 k = 0.3875-0.3487 0.6038 ( 1023 PWs) bands (ev): -3.3736 -3.3726 -3.2166 -3.2164 -2.8392 -2.8373 -2.7683 -2.7677 -2.6712 -2.6710 1.2528 1.2529 5.7620 5.7667 5.8143 5.8152 6.3081 6.3135 11.3414 11.3422 22.1080 22.1158 22.8661 22.8733 24.0296 24.0302 k = 0.3916-0.3524 0.5936 ( 1024 PWs) bands (ev): -3.3800 -3.3791 -3.2209 -3.2207 -2.8390 -2.8372 -2.7691 -2.7686 -2.6667 -2.6665 1.1991 1.1993 5.6934 5.6979 5.7446 5.7455 6.2384 6.2435 11.6114 11.6121 22.3405 22.3490 23.0672 23.0750 24.1916 24.1924 k = 0.3957-0.3562 0.5835 ( 1022 PWs) bands (ev): -3.3865 -3.3856 -3.2254 -3.2253 -2.8388 -2.8372 -2.7695 -2.7690 -2.6621 -2.6619 1.1477 1.1479 5.6274 5.6317 5.6777 5.6786 6.1716 6.1765 11.8839 11.8846 22.5674 22.5766 23.2623 23.2707 24.3390 24.3400 k = 0.3999-0.3599 0.5733 ( 1022 PWs) bands (ev): -3.3929 -3.3921 -3.2302 -3.2301 -2.8388 -2.8372 -2.7696 -2.7691 -2.6575 -2.6573 1.0986 1.0987 5.5641 5.5683 5.6136 5.6145 6.1077 6.1124 12.1588 12.1595 22.7865 22.7965 23.4503 23.4593 24.4702 24.4714 k = 0.4040-0.3636 0.5632 ( 1020 PWs) bands (ev): -3.3993 -3.3985 -3.2352 -3.2351 -2.8387 -2.8372 -2.7692 -2.7688 -2.6529 -2.6527 1.0518 1.0519 5.5035 5.5076 5.5524 5.5532 6.0468 6.0513 12.4358 12.4364 22.9951 23.0058 23.6300 23.6395 24.5843 24.5858 k = 0.4082-0.3673 0.5531 ( 1018 PWs) bands (ev): -3.4055 -3.4048 -3.2404 -3.2403 -2.8387 -2.8373 -2.7686 -2.7683 -2.6482 -2.6481 1.0072 1.0074 5.4457 5.4496 5.4940 5.4948 5.9888 5.9931 12.7146 12.7153 23.1895 23.2008 23.7996 23.8094 24.6814 24.6832 k = 0.4123-0.3711 0.5429 ( 1016 PWs) bands (ev): -3.4117 -3.4110 -3.2457 -3.2456 -2.8387 -2.8374 -2.7677 -2.7674 -2.6437 -2.6435 0.9650 0.9652 5.3907 5.3944 5.4385 5.4393 5.9338 5.9380 12.9950 12.9956 23.3644 23.3762 23.9568 23.9666 24.7621 24.7643 k = 0.4165-0.3748 0.5328 ( 1018 PWs) bands (ev): -3.4177 -3.4170 -3.2511 -3.2511 -2.8388 -2.8375 -2.7666 -2.7664 -2.6392 -2.6390 0.9252 0.9253 5.3384 5.3421 5.3859 5.3867 5.8818 5.8858 13.2766 13.2772 23.5122 23.5242 24.0988 24.1082 24.8278 24.8304 k = 0.4206-0.3785 0.5226 ( 1019 PWs) bands (ev): -3.4235 -3.4229 -3.2565 -3.2564 -2.8389 -2.8377 -2.7653 -2.7651 -2.6348 -2.6346 0.8876 0.8878 5.2891 5.2926 5.3362 5.3370 5.8328 5.8367 13.5590 13.5596 23.6222 23.6337 24.2234 24.2317 24.8802 24.8833 k = 0.4248-0.3823 0.5125 ( 1021 PWs) bands (ev): -3.4291 -3.4285 -3.2619 -3.2618 -2.8390 -2.8378 -2.7639 -2.7637 -2.6305 -2.6304 0.8524 0.8526 5.2425 5.2460 5.2894 5.2902 5.7868 5.7906 13.8418 13.8424 23.6798 23.6899 24.3307 24.3371 24.9212 24.9245 k = 0.4289-0.3860 0.5024 ( 1023 PWs) bands (ev): -3.4345 -3.4340 -3.2671 -3.2670 -2.8391 -2.8380 -2.7623 -2.7622 -2.6265 -2.6263 0.8195 0.8196 5.1989 5.2023 5.2455 5.2464 5.7438 5.7475 14.1244 14.1250 23.6703 23.6784 24.4247 24.4287 24.9526 24.9558 k = 0.4331-0.3897 0.4922 ( 1023 PWs) bands (ev): -3.4397 -3.4392 -3.2722 -3.2721 -2.8393 -2.8382 -2.7607 -2.7606 -2.6225 -2.6224 0.7889 0.7890 5.1582 5.1614 5.2046 5.2055 5.7037 5.7073 14.4063 14.4068 23.5884 23.5945 24.5102 24.5120 24.9762 24.9791 k = 0.4372-0.3935 0.4821 ( 1022 PWs) bands (ev): -3.4446 -3.4441 -3.2771 -3.2769 -2.8394 -2.8384 -2.7590 -2.7590 -2.6188 -2.6187 0.7606 0.7608 5.1204 5.1236 5.1667 5.1676 5.6667 5.6702 14.6865 14.6871 23.4426 23.4471 24.5894 24.5895 24.9939 24.9963 k = 0.4414-0.3972 0.4719 ( 1024 PWs) bands (ev): -3.4492 -3.4488 -3.2818 -3.2816 -2.8396 -2.8386 -2.7574 -2.7573 -2.6153 -2.6152 0.7346 0.7348 5.0856 5.0887 5.1317 5.1326 5.6327 5.6361 14.9641 14.9647 23.2495 23.2529 24.6606 24.6616 25.0074 25.0095 k = 0.4455-0.4009 0.4618 ( 1024 PWs) bands (ev): -3.4535 -3.4531 -3.2862 -3.2860 -2.8397 -2.8388 -2.7557 -2.7557 -2.6120 -2.6119 0.7109 0.7111 5.0537 5.0567 5.0998 5.1007 5.6016 5.6050 15.2379 15.2386 23.0260 23.0287 24.7239 24.7256 25.0183 25.0201 k = 0.4496-0.4047 0.4517 ( 1022 PWs) bands (ev): -3.4574 -3.4570 -3.2903 -3.2900 -2.8399 -2.8390 -2.7542 -2.7542 -2.6089 -2.6089 0.6895 0.6897 5.0248 5.0278 5.0708 5.0717 5.5735 5.5769 15.5063 15.5069 22.7856 22.7878 24.7784 24.7804 25.0279 25.0295 k = 0.4538-0.4084 0.4415 ( 1024 PWs) bands (ev): -3.4610 -3.4606 -3.2940 -3.2938 -2.8400 -2.8391 -2.7527 -2.7527 -2.6062 -2.6061 0.6703 0.6705 4.9989 5.0018 5.0449 5.0458 5.5484 5.5517 15.7670 15.7677 22.5384 22.5403 24.8234 24.8256 25.0372 25.0388 k = 0.4579-0.4121 0.4314 ( 1024 PWs) bands (ev): -3.4642 -3.4638 -3.2974 -3.2971 -2.8402 -2.8393 -2.7514 -2.7513 -2.6037 -2.6037 0.6535 0.6537 4.9761 4.9789 5.0220 5.0228 5.5263 5.5295 16.0176 16.0183 22.2927 22.2943 24.8588 24.8611 25.0474 25.0489 k = 0.4621-0.4159 0.4212 ( 1020 PWs) bands (ev): -3.4670 -3.4667 -3.3004 -3.3001 -2.8402 -2.8394 -2.7501 -2.7501 -2.6015 -2.6014 0.6389 0.6391 4.9562 4.9590 5.0021 5.0030 5.5071 5.5103 16.2544 16.2551 22.0555 22.0571 24.8852 24.8875 25.0585 25.0599 k = 0.4662-0.4196 0.4111 ( 1022 PWs) bands (ev): -3.4694 -3.4691 -3.3029 -3.3026 -2.8404 -2.8395 -2.7491 -2.7490 -2.5997 -2.5996 0.6265 0.6267 4.9394 4.9422 4.9852 4.9861 5.4909 5.4941 16.4729 16.4737 21.8339 21.8354 24.9037 24.9059 25.0702 25.0716 k = 0.4704-0.4233 0.4009 ( 1020 PWs) bands (ev): -3.4714 -3.4711 -3.3050 -3.3047 -2.8404 -2.8396 -2.7482 -2.7481 -2.5981 -2.5981 0.6165 0.6166 4.9256 4.9284 4.9715 4.9723 5.4777 5.4808 16.6673 16.6682 21.6351 21.6366 24.9160 24.9181 25.0816 25.0828 k = 0.4745-0.4271 0.3908 ( 1018 PWs) bands (ev): -3.4729 -3.4726 -3.3067 -3.3063 -2.8405 -2.8397 -2.7474 -2.7474 -2.5969 -2.5969 0.6086 0.6088 4.9149 4.9176 4.9607 4.9616 5.4674 5.4705 16.8309 16.8318 21.4673 21.4688 24.9238 24.9258 25.0915 25.0927 k = 0.4787-0.4308 0.3807 ( 1018 PWs) bands (ev): -3.4740 -3.4737 -3.3079 -3.3075 -2.8406 -2.8397 -2.7469 -2.7469 -2.5960 -2.5960 0.6030 0.6032 4.9073 4.9099 4.9531 4.9539 5.4600 5.4631 16.9558 16.9568 21.3388 21.3403 24.9285 24.9304 25.0991 25.1002 k = 0.4828-0.4345 0.3705 ( 1018 PWs) bands (ev): -3.4747 -3.4744 -3.3086 -3.3082 -2.8406 -2.8398 -2.7466 -2.7465 -2.5955 -2.5955 0.5996 0.5998 4.9027 4.9053 4.9485 4.9493 5.4556 5.4587 17.0346 17.0356 21.2577 21.2592 24.9310 24.9329 25.1039 25.1050 k = 0.4870-0.4382 0.3604 ( 1018 PWs) bands (ev): -3.4749 -3.4746 -3.3088 -3.3085 -2.8406 -2.8398 -2.7465 -2.7464 -2.5953 -2.5953 0.5985 0.5987 4.9011 4.9038 4.9469 4.9478 5.4541 5.4572 17.0616 17.0626 21.2299 21.2314 24.9318 24.9336 25.1055 25.1066 k = 0.5130 0.5438 0.0096 ( 1018 PWs) bands (ev): -3.4749 -3.4746 -3.3088 -3.3085 -2.8406 -2.8398 -2.7465 -2.7464 -2.5953 -2.5953 0.5985 0.5987 4.9011 4.9038 4.9469 4.9478 5.4541 5.4572 17.0616 17.0626 21.2299 21.2314 24.9318 24.9336 25.1055 25.1066 k = 0.5065 0.5497 0.0048 ( 1018 PWs) bands (ev): -3.4753 -3.4752 -3.3088 -3.3086 -2.8403 -2.8399 -2.7465 -2.7464 -2.5953 -2.5953 0.6054 0.6054 4.9098 4.9103 5.0488 5.0512 5.3247 5.3275 17.0592 17.0597 21.2281 21.2288 24.9542 24.9551 25.1354 25.1359 k = 0.5000 0.5556-0.0000 ( 1018 PWs) bands (ev): -3.4754 -3.4754 -3.3087 -3.3087 -2.8401 -2.8401 -2.7465 -2.7465 -2.5952 -2.5952 0.6077 0.6077 4.9099 4.9099 5.1297 5.1297 5.2401 5.2401 17.0586 17.0586 21.2277 21.2277 24.9618 24.9618 25.1457 25.1457 Writing output data file GaAs.save init_run : 0.18s CPU 0.39s WALL ( 1 calls) electrons : 62.24s CPU 63.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 62.24s CPU 63.04s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 551 calls) cegterg : 57.79s CPU 58.50s WALL ( 599 calls) Called by sum_band: Called by *egterg: h_psi : 35.00s CPU 39.13s WALL ( 9131 calls) s_psi : 2.19s CPU 2.24s WALL ( 9131 calls) g_psi : 0.07s CPU 0.08s WALL ( 7981 calls) cdiaghg : 16.66s CPU 16.84s WALL ( 8532 calls) cegterg:over : 1.49s CPU 1.52s WALL ( 7981 calls) cegterg:upda : 0.36s CPU 0.36s WALL ( 7981 calls) cegterg:last : 0.32s CPU 0.30s WALL ( 2059 calls) Called by h_psi: h_psi:vloc : 32.89s CPU 36.87s WALL ( 9131 calls) h_psi:vnl : 2.09s CPU 2.22s WALL ( 9131 calls) add_vuspsi : 1.25s CPU 1.33s WALL ( 9131 calls) General routines calbec : 0.81s CPU 0.87s WALL ( 9131 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 31.73s CPU 35.32s WALL ( 655448 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.08s WALL ( 1102 calls) Parallel routines fft_scatter : 22.24s CPU 24.09s WALL ( 655471 calls) PWSCF : 1m15.75s CPU 1m19.30s WALL This run was terminated on: 14:50:41 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=