Program PWSCF v.5.1.1 starts on 8Oct2015 at 19:50:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 28 8 737 547 87 Max 35 29 9 739 566 90 Sum 1657 1365 403 35429 26673 4229 bravais-lattice index = 14 lattice parameter (alat) = 8.0531 a.u. unit-cell volume = 359.9598 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.053143 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.651071 celldm(5)= -0.203105 celldm(6)= -0.145824 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.145824 0.989311 0.000000 ) a(3) = ( -0.203105 -0.688044 0.696667 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.147400 0.437113 ) b(2) = ( 0.000000 1.010805 0.998294 ) b(3) = ( 0.000000 0.000000 1.435407 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 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= 459 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055893 0.0048258 0.0111595), wk = 0.0021786 k( 3) = ( -0.0111786 0.0096516 0.0223189), wk = 0.0021786 k( 4) = ( -0.0167678 0.0144774 0.0334784), wk = 0.0021786 k( 5) = ( -0.0223571 0.0193032 0.0446379), wk = 0.0021786 k( 6) = ( -0.0279464 0.0241290 0.0557974), wk = 0.0021786 k( 7) = ( -0.0335357 0.0289549 0.0669569), wk = 0.0021786 k( 8) = ( -0.0391249 0.0337807 0.0781164), wk = 0.0021786 k( 9) = ( -0.0447142 0.0386065 0.0892758), wk = 0.0021786 k( 10) = ( -0.0503035 0.0434323 0.1004353), wk = 0.0021786 k( 11) = ( -0.0558928 0.0482581 0.1115948), wk = 0.0021786 k( 12) = ( -0.0614820 0.0530839 0.1227542), wk = 0.0021786 k( 13) = ( -0.0670713 0.0579097 0.1339137), wk = 0.0021786 k( 14) = ( -0.0726606 0.0627355 0.1450732), wk = 0.0021786 k( 15) = ( -0.0782499 0.0675613 0.1562327), wk = 0.0021786 k( 16) = ( -0.0838392 0.0723871 0.1673922), wk = 0.0021786 k( 17) = ( -0.0894284 0.0772130 0.1785516), wk = 0.0021786 k( 18) = ( -0.0950177 0.0820388 0.1897111), wk = 0.0021786 k( 19) = ( -0.1006070 0.0868646 0.2008706), wk = 0.0021786 k( 20) = ( -0.1061963 0.0916904 0.2120301), wk = 0.0021786 k( 21) = ( -0.1117855 0.0965162 0.2231895), wk = 0.0021786 k( 22) = ( -0.1173748 0.1013420 0.2343490), wk = 0.0021786 k( 23) = ( -0.1229641 0.1061678 0.2455085), wk = 0.0021786 k( 24) = ( -0.1285534 0.1109936 0.2566680), wk = 0.0021786 k( 25) = ( -0.1341426 0.1158194 0.2678275), wk = 0.0021786 k( 26) = ( -0.1397319 0.1206452 0.2789869), wk = 0.0021786 k( 27) = ( -0.1453212 0.1254711 0.2901464), wk = 0.0021786 k( 28) = ( -0.1509105 0.1302969 0.3013059), wk = 0.0021786 k( 29) = ( -0.1564997 0.1351227 0.3124654), wk = 0.0021786 k( 30) = ( -0.1620890 0.1399485 0.3236248), wk = 0.0021786 k( 31) = ( -0.1676783 0.1447743 0.3347843), wk = 0.0021786 k( 32) = ( -0.1732676 0.1496001 0.3459438), wk = 0.0021786 k( 33) = ( -0.1788569 0.1544259 0.3571033), wk = 0.0021786 k( 34) = ( -0.1844461 0.1592517 0.3682628), wk = 0.0021786 k( 35) = ( -0.1900354 0.1640775 0.3794222), wk = 0.0021786 k( 36) = ( -0.1956247 0.1689033 0.3905817), wk = 0.0021786 k( 37) = ( -0.2012140 0.1737292 0.4017412), wk = 0.0021786 k( 38) = ( -0.2068032 0.1785550 0.4129007), wk = 0.0021786 k( 39) = ( -0.2123925 0.1833808 0.4240601), wk = 0.0021786 k( 40) = ( -0.2179818 0.1882066 0.4352196), wk = 0.0021786 k( 41) = ( -0.2235711 0.1930324 0.4463791), wk = 0.0021786 k( 42) = ( -0.2291603 0.1978582 0.4575386), wk = 0.0021786 k( 43) = ( -0.2347496 0.2026840 0.4686981), wk = 0.0021786 k( 44) = ( -0.2403389 0.2075098 0.4798575), wk = 0.0021786 k( 45) = ( -0.2459282 0.2123356 0.4910170), wk = 0.0021786 k( 46) = ( -0.2515174 0.2171614 0.5021765), wk = 0.0021786 k( 47) = ( -0.2571067 0.2219872 0.5133360), wk = 0.0021786 k( 48) = ( -0.2626960 0.2268131 0.5244954), wk = 0.0021786 k( 49) = ( -0.2682853 0.2316389 0.5356549), wk = 0.0021786 k( 50) = ( -0.2738745 0.2364647 0.5468144), wk = 0.0021786 k( 51) = ( -0.2794638 0.2412905 0.5579739), wk = 0.0021786 k( 52) = ( -0.2850531 0.2461163 0.5691333), wk = 0.0021786 k( 53) = ( -0.2906424 0.2509421 0.5802928), wk = 0.0021786 k( 54) = ( -0.2962317 0.2557679 0.5914523), wk = 0.0021786 k( 55) = ( -0.3018209 0.2605937 0.6026118), wk = 0.0021786 k( 56) = ( -0.3074102 0.2654195 0.6137713), wk = 0.0021786 k( 57) = ( -0.3129995 0.2702453 0.6249307), wk = 0.0021786 k( 58) = ( -0.3185888 0.2750711 0.6360902), wk = 0.0021786 k( 59) = ( -0.3241780 0.2798970 0.6472497), wk = 0.0021786 k( 60) = ( -0.3297673 0.2847228 0.6584092), wk = 0.0021786 k( 61) = ( -0.3353566 0.2895486 0.6695686), wk = 0.0021786 k( 62) = ( -0.3409459 0.2943744 0.6807281), wk = 0.0021786 k( 63) = ( -0.3465352 0.2992002 0.6918876), wk = 0.0021786 k( 64) = ( -0.3521244 0.3040260 0.7030471), wk = 0.0021786 k( 65) = ( -0.3521244 0.3040260 0.7030471), wk = 0.0021786 k( 66) = ( -0.3437420 0.2967886 0.7103752), wk = 0.0021786 k( 67) = ( -0.3353597 0.2895512 0.7177033), wk = 0.0021786 k( 68) = ( -0.3353597 0.2895512 0.7177033), wk = 0.0021786 k( 69) = ( -0.3251972 0.2807770 0.7177033), wk = 0.0021786 k( 70) = ( -0.3150348 0.2720027 0.7177033), wk = 0.0021786 k( 71) = ( -0.3048724 0.2632284 0.7177033), wk = 0.0021786 k( 72) = ( -0.2947100 0.2544541 0.7177033), wk = 0.0021786 k( 73) = ( -0.2845476 0.2456798 0.7177033), wk = 0.0021786 k( 74) = ( -0.2743852 0.2369056 0.7177033), wk = 0.0021786 k( 75) = ( -0.2642228 0.2281313 0.7177033), wk = 0.0021786 k( 76) = ( -0.2540603 0.2193570 0.7177033), wk = 0.0021786 k( 77) = ( -0.2438979 0.2105827 0.7177033), wk = 0.0021786 k( 78) = ( -0.2337355 0.2018084 0.7177033), wk = 0.0021786 k( 79) = ( -0.2235731 0.1930342 0.7177033), wk = 0.0021786 k( 80) = ( -0.2134107 0.1842599 0.7177033), wk = 0.0021786 k( 81) = ( -0.2032483 0.1754856 0.7177033), wk = 0.0021786 k( 82) = ( -0.1930859 0.1667113 0.7177033), wk = 0.0021786 k( 83) = ( -0.1829234 0.1579370 0.7177033), wk = 0.0021786 k( 84) = ( -0.1727610 0.1491628 0.7177033), wk = 0.0021786 k( 85) = ( -0.1625986 0.1403885 0.7177033), wk = 0.0021786 k( 86) = ( -0.1524362 0.1316142 0.7177033), wk = 0.0021786 k( 87) = ( -0.1422738 0.1228399 0.7177033), wk = 0.0021786 k( 88) = ( -0.1321114 0.1140656 0.7177033), wk = 0.0021786 k( 89) = ( -0.1219490 0.1052914 0.7177033), wk = 0.0021786 k( 90) = ( -0.1117865 0.0965171 0.7177033), wk = 0.0021786 k( 91) = ( -0.1016241 0.0877428 0.7177033), wk = 0.0021786 k( 92) = ( -0.0914617 0.0789685 0.7177033), wk = 0.0021786 k( 93) = ( -0.0812993 0.0701942 0.7177033), wk = 0.0021786 k( 94) = ( -0.0711369 0.0614200 0.7177033), wk = 0.0021786 k( 95) = ( -0.0609745 0.0526457 0.7177033), wk = 0.0021786 k( 96) = ( -0.0508121 0.0438714 0.7177033), wk = 0.0021786 k( 97) = ( -0.0406497 0.0350971 0.7177033), wk = 0.0021786 k( 98) = ( -0.0304872 0.0263228 0.7177033), wk = 0.0021786 k( 99) = ( -0.0203248 0.0175486 0.7177033), wk = 0.0021786 k( 100) = ( -0.0101624 0.0087743 0.7177033), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.7177033), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.7177033), wk = 0.0021786 k( 103) = ( 0.0086207 0.0099845 0.7177033), wk = 0.0021786 k( 104) = ( 0.0172414 0.0199691 0.7177033), wk = 0.0021786 k( 105) = ( 0.0258621 0.0299536 0.7177033), wk = 0.0021786 k( 106) = ( 0.0344828 0.0399381 0.7177033), wk = 0.0021786 k( 107) = ( 0.0431035 0.0499226 0.7177033), wk = 0.0021786 k( 108) = ( 0.0517241 0.0599072 0.7177033), wk = 0.0021786 k( 109) = ( 0.0603448 0.0698917 0.7177033), wk = 0.0021786 k( 110) = ( 0.0689655 0.0798762 0.7177033), wk = 0.0021786 k( 111) = ( 0.0775862 0.0898607 0.7177033), wk = 0.0021786 k( 112) = ( 0.0862069 0.0998453 0.7177033), wk = 0.0021786 k( 113) = ( 0.0948276 0.1098298 0.7177033), wk = 0.0021786 k( 114) = ( 0.1034483 0.1198143 0.7177033), wk = 0.0021786 k( 115) = ( 0.1120690 0.1297988 0.7177033), wk = 0.0021786 k( 116) = ( 0.1206897 0.1397834 0.7177033), wk = 0.0021786 k( 117) = ( 0.1293103 0.1497679 0.7177033), wk = 0.0021786 k( 118) = ( 0.1379310 0.1597524 0.7177033), wk = 0.0021786 k( 119) = ( 0.1465517 0.1697369 0.7177033), wk = 0.0021786 k( 120) = ( 0.1551724 0.1797214 0.7177033), wk = 0.0021786 k( 121) = ( 0.1637931 0.1897060 0.7177033), wk = 0.0021786 k( 122) = ( 0.1724138 0.1996905 0.7177033), wk = 0.0021786 k( 123) = ( 0.1810345 0.2096750 0.7177033), wk = 0.0021786 k( 124) = ( 0.1896552 0.2196596 0.7177033), wk = 0.0021786 k( 125) = ( 0.1982759 0.2296441 0.7177033), wk = 0.0021786 k( 126) = ( 0.2068966 0.2396286 0.7177033), wk = 0.0021786 k( 127) = ( 0.2155172 0.2496131 0.7177033), wk = 0.0021786 k( 128) = ( 0.2241379 0.2595977 0.7177033), wk = 0.0021786 k( 129) = ( 0.2327586 0.2695822 0.7177033), wk = 0.0021786 k( 130) = ( 0.2413793 0.2795667 0.7177033), wk = 0.0021786 k( 131) = ( 0.2500000 0.2895512 0.7177033), wk = 0.0021786 k( 132) = ( 0.2500000 0.2895512 0.7177033), wk = 0.0021786 k( 133) = ( 0.2416667 0.2967463 0.7104181), wk = 0.0021786 k( 134) = ( 0.2333333 0.3039413 0.7031328), wk = 0.0021786 k( 135) = ( 0.2250000 0.3111364 0.6958476), wk = 0.0021786 k( 136) = ( 0.2166667 0.3183314 0.6885624), wk = 0.0021786 k( 137) = ( 0.2083333 0.3255264 0.6812772), wk = 0.0021786 k( 138) = ( 0.2000000 0.3327215 0.6739920), wk = 0.0021786 k( 139) = ( 0.1916667 0.3399165 0.6667068), wk = 0.0021786 k( 140) = ( 0.1833333 0.3471116 0.6594215), wk = 0.0021786 k( 141) = ( 0.1750000 0.3543066 0.6521363), wk = 0.0021786 k( 142) = ( 0.1666667 0.3615017 0.6448511), wk = 0.0021786 k( 143) = ( 0.1583333 0.3686967 0.6375659), wk = 0.0021786 k( 144) = ( 0.1500000 0.3758917 0.6302807), wk = 0.0021786 k( 145) = ( 0.1416667 0.3830868 0.6229955), wk = 0.0021786 k( 146) = ( 0.1333333 0.3902818 0.6157102), wk = 0.0021786 k( 147) = ( 0.1250000 0.3974769 0.6084250), wk = 0.0021786 k( 148) = ( 0.1166667 0.4046719 0.6011398), wk = 0.0021786 k( 149) = ( 0.1083333 0.4118670 0.5938546), wk = 0.0021786 k( 150) = ( 0.1000000 0.4190620 0.5865694), wk = 0.0021786 k( 151) = ( 0.0916667 0.4262570 0.5792842), wk = 0.0021786 k( 152) = ( 0.0833333 0.4334521 0.5719989), wk = 0.0021786 k( 153) = ( 0.0750000 0.4406471 0.5647137), wk = 0.0021786 k( 154) = ( 0.0666667 0.4478422 0.5574285), wk = 0.0021786 k( 155) = ( 0.0583333 0.4550372 0.5501433), wk = 0.0021786 k( 156) = ( 0.0500000 0.4622322 0.5428581), wk = 0.0021786 k( 157) = ( 0.0416667 0.4694273 0.5355729), wk = 0.0021786 k( 158) = ( 0.0333333 0.4766223 0.5282876), wk = 0.0021786 k( 159) = ( 0.0250000 0.4838174 0.5210024), wk = 0.0021786 k( 160) = ( 0.0166667 0.4910124 0.5137172), wk = 0.0021786 k( 161) = ( 0.0083333 0.4982075 0.5064320), wk = 0.0021786 k( 162) = ( 0.0000000 0.5054025 0.4991468), wk = 0.0021786 k( 163) = ( 0.0000000 0.5054025 0.4991468), wk = 0.0021786 k( 164) = ( 0.0103566 0.5113253 0.4931497), wk = 0.0021786 k( 165) = ( 0.0207132 0.5172482 0.4871526), wk = 0.0021786 k( 166) = ( 0.0310698 0.5231710 0.4811556), wk = 0.0021786 k( 167) = ( 0.0414264 0.5290939 0.4751585), wk = 0.0021786 k( 168) = ( 0.0517830 0.5350167 0.4691614), wk = 0.0021786 k( 169) = ( 0.0621396 0.5409395 0.4631644), wk = 0.0021786 k( 170) = ( 0.0724962 0.5468624 0.4571673), wk = 0.0021786 k( 171) = ( 0.0828528 0.5527852 0.4511702), wk = 0.0021786 k( 172) = ( 0.0932094 0.5587080 0.4451732), wk = 0.0021786 k( 173) = ( 0.1035660 0.5646309 0.4391761), wk = 0.0021786 k( 174) = ( 0.1139226 0.5705537 0.4331790), wk = 0.0021786 k( 175) = ( 0.1242792 0.5764766 0.4271820), wk = 0.0021786 k( 176) = ( 0.1346358 0.5823994 0.4211849), wk = 0.0021786 k( 177) = ( 0.1449924 0.5883222 0.4151878), wk = 0.0021786 k( 178) = ( 0.1553490 0.5942451 0.4091908), wk = 0.0021786 k( 179) = ( 0.1657056 0.6001679 0.4031937), wk = 0.0021786 k( 180) = ( 0.1760622 0.6060907 0.3971966), wk = 0.0021786 k( 181) = ( 0.1864188 0.6120136 0.3911996), wk = 0.0021786 k( 182) = ( 0.1967754 0.6179364 0.3852025), wk = 0.0021786 k( 183) = ( 0.2071320 0.6238593 0.3792054), wk = 0.0021786 k( 184) = ( 0.2174886 0.6297821 0.3732084), wk = 0.0021786 k( 185) = ( 0.2278452 0.6357049 0.3672113), wk = 0.0021786 k( 186) = ( 0.2382018 0.6416278 0.3612142), wk = 0.0021786 k( 187) = ( 0.2485584 0.6475506 0.3552171), wk = 0.0021786 k( 188) = ( 0.2589150 0.6534734 0.3492201), wk = 0.0021786 k( 189) = ( 0.2692716 0.6593963 0.3432230), wk = 0.0021786 k( 190) = ( 0.2796282 0.6653191 0.3372259), wk = 0.0021786 k( 191) = ( 0.2899848 0.6712420 0.3312289), wk = 0.0021786 k( 192) = ( 0.3003414 0.6771648 0.3252318), wk = 0.0021786 k( 193) = ( 0.3106980 0.6830876 0.3192347), wk = 0.0021786 k( 194) = ( 0.3210546 0.6890105 0.3132377), wk = 0.0021786 k( 195) = ( 0.3314112 0.6949333 0.3072406), wk = 0.0021786 k( 196) = ( 0.3417678 0.7008562 0.3012435), wk = 0.0021786 k( 197) = ( 0.3521244 0.7067790 0.2952465), wk = 0.0021786 k( 198) = ( 0.3521244 0.7067790 0.2952465), wk = 0.0021786 k( 199) = ( 0.3576013 0.7020502 0.2843114), wk = 0.0021786 k( 200) = ( 0.3630782 0.6973215 0.2733764), wk = 0.0021786 k( 201) = ( 0.3685550 0.6925927 0.2624413), wk = 0.0021786 k( 202) = ( 0.3740319 0.6878639 0.2515062), wk = 0.0021786 k( 203) = ( 0.3795088 0.6831352 0.2405712), wk = 0.0021786 k( 204) = ( 0.3849857 0.6784064 0.2296361), wk = 0.0021786 k( 205) = ( 0.3904625 0.6736777 0.2187011), wk = 0.0021786 k( 206) = ( 0.3959394 0.6689489 0.2077660), wk = 0.0021786 k( 207) = ( 0.4014163 0.6642201 0.1968310), wk = 0.0021786 k( 208) = ( 0.4068931 0.6594914 0.1858959), wk = 0.0021786 k( 209) = ( 0.4123700 0.6547626 0.1749609), wk = 0.0021786 k( 210) = ( 0.4178469 0.6500339 0.1640258), wk = 0.0021786 k( 211) = ( 0.4233238 0.6453051 0.1530908), wk = 0.0021786 k( 212) = ( 0.4288007 0.6405763 0.1421557), wk = 0.0021786 k( 213) = ( 0.4342775 0.6358476 0.1312207), wk = 0.0021786 k( 214) = ( 0.4397544 0.6311188 0.1202856), wk = 0.0021786 k( 215) = ( 0.4452313 0.6263901 0.1093505), wk = 0.0021786 k( 216) = ( 0.4507081 0.6216613 0.0984155), wk = 0.0021786 k( 217) = ( 0.4561850 0.6169325 0.0874804), wk = 0.0021786 k( 218) = ( 0.4616619 0.6122038 0.0765454), wk = 0.0021786 k( 219) = ( 0.4671388 0.6074750 0.0656103), wk = 0.0021786 k( 220) = ( 0.4726156 0.6027463 0.0546753), wk = 0.0021786 k( 221) = ( 0.4780925 0.5980175 0.0437402), wk = 0.0021786 k( 222) = ( 0.4835694 0.5932887 0.0328052), wk = 0.0021786 k( 223) = ( 0.4890463 0.5885600 0.0218701), wk = 0.0021786 k( 224) = ( 0.4945231 0.5838312 0.0109350), wk = 0.0021786 k( 225) = ( 0.5000000 0.5791025 -0.0000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5791025 -0.0000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.5689428 -0.0000000), wk = 0.0021786 k( 228) = ( 0.4824561 0.5587831 -0.0000000), wk = 0.0021786 k( 229) = ( 0.4736842 0.5486234 -0.0000000), wk = 0.0021786 k( 230) = ( 0.4649123 0.5384637 -0.0000000), wk = 0.0021786 k( 231) = ( 0.4561404 0.5283040 -0.0000000), wk = 0.0021786 k( 232) = ( 0.4473684 0.5181443 -0.0000000), wk = 0.0021786 k( 233) = ( 0.4385965 0.5079846 -0.0000000), wk = 0.0021786 k( 234) = ( 0.4298246 0.4978249 -0.0000000), wk = 0.0021786 k( 235) = ( 0.4210526 0.4876652 -0.0000000), wk = 0.0021786 k( 236) = ( 0.4122807 0.4775055 -0.0000000), wk = 0.0021786 k( 237) = ( 0.4035088 0.4673458 -0.0000000), wk = 0.0021786 k( 238) = ( 0.3947368 0.4571862 -0.0000000), wk = 0.0021786 k( 239) = ( 0.3859649 0.4470265 -0.0000000), wk = 0.0021786 k( 240) = ( 0.3771930 0.4368668 -0.0000000), wk = 0.0021786 k( 241) = ( 0.3684211 0.4267071 -0.0000000), wk = 0.0021786 k( 242) = ( 0.3596491 0.4165474 -0.0000000), wk = 0.0021786 k( 243) = ( 0.3508772 0.4063877 -0.0000000), wk = 0.0021786 k( 244) = ( 0.3421053 0.3962280 -0.0000000), wk = 0.0021786 k( 245) = ( 0.3333333 0.3860683 -0.0000000), wk = 0.0021786 k( 246) = ( 0.3245614 0.3759086 -0.0000000), wk = 0.0021786 k( 247) = ( 0.3157895 0.3657489 -0.0000000), wk = 0.0021786 k( 248) = ( 0.3070175 0.3555892 -0.0000000), wk = 0.0021786 k( 249) = ( 0.2982456 0.3454295 -0.0000000), wk = 0.0021786 k( 250) = ( 0.2894737 0.3352698 -0.0000000), wk = 0.0021786 k( 251) = ( 0.2807018 0.3251101 -0.0000000), wk = 0.0021786 k( 252) = ( 0.2719298 0.3149505 -0.0000000), wk = 0.0021786 k( 253) = ( 0.2631579 0.3047908 -0.0000000), wk = 0.0021786 k( 254) = ( 0.2543860 0.2946311 -0.0000000), wk = 0.0021786 k( 255) = ( 0.2456140 0.2844714 -0.0000000), wk = 0.0021786 k( 256) = ( 0.2368421 0.2743117 -0.0000000), wk = 0.0021786 k( 257) = ( 0.2280702 0.2641520 -0.0000000), wk = 0.0021786 k( 258) = ( 0.2192983 0.2539923 -0.0000000), wk = 0.0021786 k( 259) = ( 0.2105263 0.2438326 -0.0000000), wk = 0.0021786 k( 260) = ( 0.2017544 0.2336729 -0.0000000), wk = 0.0021786 k( 261) = ( 0.1929825 0.2235132 -0.0000000), wk = 0.0021786 k( 262) = ( 0.1842105 0.2133535 -0.0000000), wk = 0.0021786 k( 263) = ( 0.1754386 0.2031939 -0.0000000), wk = 0.0021786 k( 264) = ( 0.1666667 0.1930342 -0.0000000), wk = 0.0021786 k( 265) = ( 0.1578947 0.1828745 -0.0000000), wk = 0.0021786 k( 266) = ( 0.1491228 0.1727148 -0.0000000), wk = 0.0021786 k( 267) = ( 0.1403509 0.1625551 -0.0000000), wk = 0.0021786 k( 268) = ( 0.1315790 0.1523954 -0.0000000), wk = 0.0021786 k( 269) = ( 0.1228070 0.1422357 -0.0000000), wk = 0.0021786 k( 270) = ( 0.1140351 0.1320760 -0.0000000), wk = 0.0021786 k( 271) = ( 0.1052632 0.1219163 -0.0000000), wk = 0.0021786 k( 272) = ( 0.0964912 0.1117566 -0.0000000), wk = 0.0021786 k( 273) = ( 0.0877193 0.1015969 -0.0000000), wk = 0.0021786 k( 274) = ( 0.0789474 0.0914372 -0.0000000), wk = 0.0021786 k( 275) = ( 0.0701754 0.0812775 -0.0000000), wk = 0.0021786 k( 276) = ( 0.0614035 0.0711178 -0.0000000), wk = 0.0021786 k( 277) = ( 0.0526316 0.0609582 -0.0000000), wk = 0.0021786 k( 278) = ( 0.0438597 0.0507985 -0.0000000), wk = 0.0021786 k( 279) = ( 0.0350877 0.0406388 -0.0000000), wk = 0.0021786 k( 280) = ( 0.0263158 0.0304791 -0.0000000), wk = 0.0021786 k( 281) = ( 0.0175439 0.0203194 -0.0000000), wk = 0.0021786 k( 282) = ( 0.0087719 0.0101597 -0.0000000), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084778 -0.0073198 0.0074115), wk = 0.0021786 k( 286) = ( 0.0169556 -0.0146396 0.0148230), wk = 0.0021786 k( 287) = ( 0.0254334 -0.0219594 0.0222346), wk = 0.0021786 k( 288) = ( 0.0339112 -0.0292791 0.0296461), wk = 0.0021786 k( 289) = ( 0.0423891 -0.0365989 0.0370576), wk = 0.0021786 k( 290) = ( 0.0508669 -0.0439187 0.0444691), wk = 0.0021786 k( 291) = ( 0.0593447 -0.0512385 0.0518807), wk = 0.0021786 k( 292) = ( 0.0678225 -0.0585583 0.0592922), wk = 0.0021786 k( 293) = ( 0.0763003 -0.0658781 0.0667037), wk = 0.0021786 k( 294) = ( 0.0847781 -0.0731978 0.0741152), wk = 0.0021786 k( 295) = ( 0.0932559 -0.0805176 0.0815267), wk = 0.0021786 k( 296) = ( 0.1017337 -0.0878374 0.0889383), wk = 0.0021786 k( 297) = ( 0.1102116 -0.0951572 0.0963498), wk = 0.0021786 k( 298) = ( 0.1186894 -0.1024770 0.1037613), wk = 0.0021786 k( 299) = ( 0.1271672 -0.1097968 0.1111728), wk = 0.0021786 k( 300) = ( 0.1356450 -0.1171166 0.1185844), wk = 0.0021786 k( 301) = ( 0.1441228 -0.1244363 0.1259959), wk = 0.0021786 k( 302) = ( 0.1526006 -0.1317561 0.1334074), wk = 0.0021786 k( 303) = ( 0.1610784 -0.1390759 0.1408189), wk = 0.0021786 k( 304) = ( 0.1695562 -0.1463957 0.1482305), wk = 0.0021786 k( 305) = ( 0.1780340 -0.1537155 0.1556420), wk = 0.0021786 k( 306) = ( 0.1865119 -0.1610353 0.1630535), wk = 0.0021786 k( 307) = ( 0.1949897 -0.1683551 0.1704650), wk = 0.0021786 k( 308) = ( 0.2034675 -0.1756748 0.1778765), wk = 0.0021786 k( 309) = ( 0.2119453 -0.1829946 0.1852881), wk = 0.0021786 k( 310) = ( 0.2204231 -0.1903144 0.1926996), wk = 0.0021786 k( 311) = ( 0.2289009 -0.1976342 0.2001111), wk = 0.0021786 k( 312) = ( 0.2373787 -0.2049540 0.2075226), wk = 0.0021786 k( 313) = ( 0.2458565 -0.2122738 0.2149342), wk = 0.0021786 k( 314) = ( 0.2543343 -0.2195936 0.2223457), wk = 0.0021786 k( 315) = ( 0.2628122 -0.2269133 0.2297572), wk = 0.0021786 k( 316) = ( 0.2712900 -0.2342331 0.2371687), wk = 0.0021786 k( 317) = ( 0.2797678 -0.2415529 0.2445803), wk = 0.0021786 k( 318) = ( 0.2882456 -0.2488727 0.2519918), wk = 0.0021786 k( 319) = ( 0.2967234 -0.2561925 0.2594033), wk = 0.0021786 k( 320) = ( 0.3052012 -0.2635123 0.2668148), wk = 0.0021786 k( 321) = ( 0.3136790 -0.2708321 0.2742263), wk = 0.0021786 k( 322) = ( 0.3221568 -0.2781518 0.2816379), wk = 0.0021786 k( 323) = ( 0.3306346 -0.2854716 0.2890494), wk = 0.0021786 k( 324) = ( 0.3391125 -0.2927914 0.2964609), wk = 0.0021786 k( 325) = ( 0.3475903 -0.3001112 0.3038724), wk = 0.0021786 k( 326) = ( 0.3560681 -0.3074310 0.3112840), wk = 0.0021786 k( 327) = ( 0.3645459 -0.3147508 0.3186955), wk = 0.0021786 k( 328) = ( 0.3730237 -0.3220705 0.3261070), wk = 0.0021786 k( 329) = ( 0.3815015 -0.3293903 0.3335185), wk = 0.0021786 k( 330) = ( 0.3899793 -0.3367101 0.3409301), wk = 0.0021786 k( 331) = ( 0.3984571 -0.3440299 0.3483416), wk = 0.0021786 k( 332) = ( 0.4069349 -0.3513497 0.3557531), wk = 0.0021786 k( 333) = ( 0.4154127 -0.3586695 0.3631646), wk = 0.0021786 k( 334) = ( 0.4238906 -0.3659893 0.3705761), wk = 0.0021786 k( 335) = ( 0.4323684 -0.3733090 0.3779877), wk = 0.0021786 k( 336) = ( 0.4408462 -0.3806288 0.3853992), wk = 0.0021786 k( 337) = ( 0.4493240 -0.3879486 0.3928107), wk = 0.0021786 k( 338) = ( 0.4578018 -0.3952684 0.4002222), wk = 0.0021786 k( 339) = ( 0.4662796 -0.4025882 0.4076338), wk = 0.0021786 k( 340) = ( 0.4747574 -0.4099080 0.4150453), wk = 0.0021786 k( 341) = ( 0.4832352 -0.4172278 0.4224568), wk = 0.0021786 k( 342) = ( 0.4832352 -0.4172278 0.4224568), wk = 0.0021786 k( 343) = ( 0.4836544 -0.4049546 0.4173593), wk = 0.0021786 k( 344) = ( 0.4840735 -0.3926814 0.4122618), wk = 0.0021786 k( 345) = ( 0.4844926 -0.3804082 0.4071643), wk = 0.0021786 k( 346) = ( 0.4849117 -0.3681350 0.4020668), wk = 0.0021786 k( 347) = ( 0.4853308 -0.3558618 0.3969693), wk = 0.0021786 k( 348) = ( 0.4857499 -0.3435886 0.3918717), wk = 0.0021786 k( 349) = ( 0.4861691 -0.3313154 0.3867742), wk = 0.0021786 k( 350) = ( 0.4865882 -0.3190422 0.3816767), wk = 0.0021786 k( 351) = ( 0.4870073 -0.3067690 0.3765792), wk = 0.0021786 k( 352) = ( 0.4874264 -0.2944958 0.3714817), wk = 0.0021786 k( 353) = ( 0.4878456 -0.2822226 0.3663842), wk = 0.0021786 k( 354) = ( 0.4882647 -0.2699494 0.3612867), wk = 0.0021786 k( 355) = ( 0.4886838 -0.2576762 0.3561892), wk = 0.0021786 k( 356) = ( 0.4891029 -0.2454031 0.3510917), wk = 0.0021786 k( 357) = ( 0.4895220 -0.2331299 0.3459942), wk = 0.0021786 k( 358) = ( 0.4899411 -0.2208567 0.3408967), wk = 0.0021786 k( 359) = ( 0.4903603 -0.2085835 0.3357992), wk = 0.0021786 k( 360) = ( 0.4907794 -0.1963103 0.3307017), wk = 0.0021786 k( 361) = ( 0.4911985 -0.1840371 0.3256042), wk = 0.0021786 k( 362) = ( 0.4916176 -0.1717639 0.3205066), wk = 0.0021786 k( 363) = ( 0.4920367 -0.1594907 0.3154091), wk = 0.0021786 k( 364) = ( 0.4924559 -0.1472175 0.3103116), wk = 0.0021786 k( 365) = ( 0.4928750 -0.1349443 0.3052141), wk = 0.0021786 k( 366) = ( 0.4932941 -0.1226711 0.3001166), wk = 0.0021786 k( 367) = ( 0.4937132 -0.1103979 0.2950191), wk = 0.0021786 k( 368) = ( 0.4941323 -0.0981247 0.2899216), wk = 0.0021786 k( 369) = ( 0.4945515 -0.0858515 0.2848241), wk = 0.0021786 k( 370) = ( 0.4949706 -0.0735783 0.2797266), wk = 0.0021786 k( 371) = ( 0.4953897 -0.0613052 0.2746291), wk = 0.0021786 k( 372) = ( 0.4958088 -0.0490320 0.2695316), wk = 0.0021786 k( 373) = ( 0.4962279 -0.0367588 0.2644341), wk = 0.0021786 k( 374) = ( 0.4966470 -0.0244856 0.2593366), wk = 0.0021786 k( 375) = ( 0.4970662 -0.0122124 0.2542390), wk = 0.0021786 k( 376) = ( 0.4974853 0.0000608 0.2491415), wk = 0.0021786 k( 377) = ( 0.4979044 0.0123340 0.2440440), wk = 0.0021786 k( 378) = ( 0.4983235 0.0246072 0.2389465), wk = 0.0021786 k( 379) = ( 0.4987426 0.0368804 0.2338490), wk = 0.0021786 k( 380) = ( 0.4991618 0.0491536 0.2287515), wk = 0.0021786 k( 381) = ( 0.4995809 0.0614268 0.2236540), wk = 0.0021786 k( 382) = ( 0.5000000 0.0737000 0.2185565), wk = 0.0021786 k( 383) = ( 0.5000000 0.0737000 0.2185565), wk = 0.0021786 k( 384) = ( 0.4944444 0.0784967 0.2296487), wk = 0.0021786 k( 385) = ( 0.4888889 0.0832934 0.2407408), wk = 0.0021786 k( 386) = ( 0.4833333 0.0880901 0.2518330), wk = 0.0021786 k( 387) = ( 0.4777778 0.0928867 0.2629251), wk = 0.0021786 k( 388) = ( 0.4722222 0.0976834 0.2740173), wk = 0.0021786 k( 389) = ( 0.4666667 0.1024801 0.2851094), wk = 0.0021786 k( 390) = ( 0.4611111 0.1072768 0.2962015), wk = 0.0021786 k( 391) = ( 0.4555556 0.1120735 0.3072937), wk = 0.0021786 k( 392) = ( 0.4500000 0.1168702 0.3183858), wk = 0.0021786 k( 393) = ( 0.4444444 0.1216669 0.3294780), wk = 0.0021786 k( 394) = ( 0.4388889 0.1264636 0.3405701), wk = 0.0021786 k( 395) = ( 0.4333333 0.1312603 0.3516623), wk = 0.0021786 k( 396) = ( 0.4277778 0.1360570 0.3627544), wk = 0.0021786 k( 397) = ( 0.4222222 0.1408537 0.3738466), wk = 0.0021786 k( 398) = ( 0.4166667 0.1456504 0.3849387), wk = 0.0021786 k( 399) = ( 0.4111111 0.1504471 0.3960309), wk = 0.0021786 k( 400) = ( 0.4055556 0.1552438 0.4071230), wk = 0.0021786 k( 401) = ( 0.4000000 0.1600405 0.4182152), wk = 0.0021786 k( 402) = ( 0.3944444 0.1648372 0.4293074), wk = 0.0021786 k( 403) = ( 0.3888889 0.1696339 0.4403995), wk = 0.0021786 k( 404) = ( 0.3833333 0.1744306 0.4514917), wk = 0.0021786 k( 405) = ( 0.3777778 0.1792272 0.4625838), wk = 0.0021786 k( 406) = ( 0.3722222 0.1840239 0.4736760), wk = 0.0021786 k( 407) = ( 0.3666667 0.1888206 0.4847681), wk = 0.0021786 k( 408) = ( 0.3611111 0.1936173 0.4958603), wk = 0.0021786 k( 409) = ( 0.3555556 0.1984140 0.5069524), wk = 0.0021786 k( 410) = ( 0.3500000 0.2032107 0.5180446), wk = 0.0021786 k( 411) = ( 0.3444444 0.2080074 0.5291367), wk = 0.0021786 k( 412) = ( 0.3388889 0.2128041 0.5402289), wk = 0.0021786 k( 413) = ( 0.3333333 0.2176008 0.5513210), wk = 0.0021786 k( 414) = ( 0.3277778 0.2223975 0.5624132), wk = 0.0021786 k( 415) = ( 0.3222222 0.2271942 0.5735053), wk = 0.0021786 k( 416) = ( 0.3166667 0.2319909 0.5845975), wk = 0.0021786 k( 417) = ( 0.3111111 0.2367876 0.5956896), wk = 0.0021786 k( 418) = ( 0.3055556 0.2415843 0.6067818), wk = 0.0021786 k( 419) = ( 0.3000000 0.2463810 0.6178739), wk = 0.0021786 k( 420) = ( 0.2944444 0.2511777 0.6289661), wk = 0.0021786 k( 421) = ( 0.2888889 0.2559744 0.6400582), wk = 0.0021786 k( 422) = ( 0.2833333 0.2607711 0.6511504), wk = 0.0021786 k( 423) = ( 0.2777778 0.2655678 0.6622425), wk = 0.0021786 k( 424) = ( 0.2722222 0.2703645 0.6733347), wk = 0.0021786 k( 425) = ( 0.2666667 0.2751611 0.6844268), wk = 0.0021786 k( 426) = ( 0.2611111 0.2799578 0.6955190), wk = 0.0021786 k( 427) = ( 0.2555556 0.2847545 0.7066111), wk = 0.0021786 k( 428) = ( 0.2500000 0.2895512 0.7177033), wk = 0.0021786 k( 429) = ( 0.3353597 -0.2895512 0.7177033), wk = 0.0021786 k( 430) = ( 0.3408365 -0.2942800 0.7067682), wk = 0.0021786 k( 431) = ( 0.3463134 -0.2990088 0.6958332), wk = 0.0021786 k( 432) = ( 0.3517903 -0.3037375 0.6848981), wk = 0.0021786 k( 433) = ( 0.3572672 -0.3084663 0.6739630), wk = 0.0021786 k( 434) = ( 0.3627440 -0.3131950 0.6630280), wk = 0.0021786 k( 435) = ( 0.3682209 -0.3179238 0.6520929), wk = 0.0021786 k( 436) = ( 0.3736978 -0.3226526 0.6411579), wk = 0.0021786 k( 437) = ( 0.3791747 -0.3273813 0.6302228), wk = 0.0021786 k( 438) = ( 0.3846515 -0.3321101 0.6192878), wk = 0.0021786 k( 439) = ( 0.3901284 -0.3368388 0.6083527), wk = 0.0021786 k( 440) = ( 0.3956053 -0.3415676 0.5974177), wk = 0.0021786 k( 441) = ( 0.4010821 -0.3462964 0.5864826), wk = 0.0021786 k( 442) = ( 0.4065590 -0.3510251 0.5755476), wk = 0.0021786 k( 443) = ( 0.4120359 -0.3557539 0.5646125), wk = 0.0021786 k( 444) = ( 0.4175128 -0.3604826 0.5536775), wk = 0.0021786 k( 445) = ( 0.4229896 -0.3652114 0.5427424), wk = 0.0021786 k( 446) = ( 0.4284665 -0.3699402 0.5318073), wk = 0.0021786 k( 447) = ( 0.4339434 -0.3746689 0.5208723), wk = 0.0021786 k( 448) = ( 0.4394203 -0.3793977 0.5099372), wk = 0.0021786 k( 449) = ( 0.4448971 -0.3841264 0.4990022), wk = 0.0021786 k( 450) = ( 0.4503740 -0.3888552 0.4880671), wk = 0.0021786 k( 451) = ( 0.4558509 -0.3935840 0.4771321), wk = 0.0021786 k( 452) = ( 0.4613277 -0.3983127 0.4661970), wk = 0.0021786 k( 453) = ( 0.4668046 -0.4030415 0.4552620), wk = 0.0021786 k( 454) = ( 0.4722815 -0.4077702 0.4443269), wk = 0.0021786 k( 455) = ( 0.4777584 -0.4124990 0.4333918), wk = 0.0021786 k( 456) = ( 0.4832352 -0.4172278 0.4224568), wk = 0.0021786 k( 457) = ( 0.5167648 0.5646277 0.0146562), wk = 0.0021786 k( 458) = ( 0.5083824 0.5718651 0.0073281), wk = 0.0021786 k( 459) = ( 0.5000000 0.5791025 -0.0000000), wk = 0.0021786 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055893 0.0055893 0.0055893), wk = 0.0021786 k( 3) = ( -0.0111786 0.0111786 0.0111785), wk = 0.0021786 k( 4) = ( -0.0167678 0.0167678 0.0167678), wk = 0.0021786 k( 5) = ( -0.0223571 0.0223571 0.0223571), wk = 0.0021786 k( 6) = ( -0.0279464 0.0279464 0.0279464), wk = 0.0021786 k( 7) = ( -0.0335357 0.0335357 0.0335357), wk = 0.0021786 k( 8) = ( -0.0391249 0.0391249 0.0391249), wk = 0.0021786 k( 9) = ( -0.0447142 0.0447142 0.0447142), wk = 0.0021786 k( 10) = ( -0.0503035 0.0503035 0.0503035), wk = 0.0021786 k( 11) = ( -0.0558928 0.0558928 0.0558928), wk = 0.0021786 k( 12) = ( -0.0614820 0.0614820 0.0614820), wk = 0.0021786 k( 13) = ( -0.0670713 0.0670713 0.0670713), wk = 0.0021786 k( 14) = ( -0.0726606 0.0726606 0.0726606), wk = 0.0021786 k( 15) = ( -0.0782499 0.0782499 0.0782499), wk = 0.0021786 k( 16) = ( -0.0838392 0.0838392 0.0838391), wk = 0.0021786 k( 17) = ( -0.0894284 0.0894284 0.0894284), wk = 0.0021786 k( 18) = ( -0.0950177 0.0950177 0.0950177), wk = 0.0021786 k( 19) = ( -0.1006070 0.1006070 0.1006070), wk = 0.0021786 k( 20) = ( -0.1061963 0.1061963 0.1061963), wk = 0.0021786 k( 21) = ( -0.1117855 0.1117855 0.1117855), wk = 0.0021786 k( 22) = ( -0.1173748 0.1173748 0.1173748), wk = 0.0021786 k( 23) = ( -0.1229641 0.1229641 0.1229641), wk = 0.0021786 k( 24) = ( -0.1285534 0.1285534 0.1285534), wk = 0.0021786 k( 25) = ( -0.1341426 0.1341426 0.1341426), wk = 0.0021786 k( 26) = ( -0.1397319 0.1397319 0.1397319), wk = 0.0021786 k( 27) = ( -0.1453212 0.1453212 0.1453212), wk = 0.0021786 k( 28) = ( -0.1509105 0.1509105 0.1509105), wk = 0.0021786 k( 29) = ( -0.1564997 0.1564997 0.1564997), wk = 0.0021786 k( 30) = ( -0.1620890 0.1620890 0.1620890), wk = 0.0021786 k( 31) = ( -0.1676783 0.1676783 0.1676783), wk = 0.0021786 k( 32) = ( -0.1732676 0.1732676 0.1732676), wk = 0.0021786 k( 33) = ( -0.1788569 0.1788569 0.1788569), wk = 0.0021786 k( 34) = ( -0.1844461 0.1844461 0.1844461), wk = 0.0021786 k( 35) = ( -0.1900354 0.1900354 0.1900354), wk = 0.0021786 k( 36) = ( -0.1956247 0.1956247 0.1956247), wk = 0.0021786 k( 37) = ( -0.2012140 0.2012140 0.2012140), wk = 0.0021786 k( 38) = ( -0.2068032 0.2068032 0.2068032), wk = 0.0021786 k( 39) = ( -0.2123925 0.2123925 0.2123925), wk = 0.0021786 k( 40) = ( -0.2179818 0.2179818 0.2179818), wk = 0.0021786 k( 41) = ( -0.2235711 0.2235711 0.2235711), wk = 0.0021786 k( 42) = ( -0.2291603 0.2291603 0.2291603), wk = 0.0021786 k( 43) = ( -0.2347496 0.2347496 0.2347496), wk = 0.0021786 k( 44) = ( -0.2403389 0.2403389 0.2403389), wk = 0.0021786 k( 45) = ( -0.2459282 0.2459282 0.2459282), wk = 0.0021786 k( 46) = ( -0.2515174 0.2515174 0.2515174), wk = 0.0021786 k( 47) = ( -0.2571067 0.2571067 0.2571067), wk = 0.0021786 k( 48) = ( -0.2626960 0.2626960 0.2626960), wk = 0.0021786 k( 49) = ( -0.2682853 0.2682853 0.2682853), wk = 0.0021786 k( 50) = ( -0.2738745 0.2738745 0.2738745), wk = 0.0021786 k( 51) = ( -0.2794638 0.2794638 0.2794638), wk = 0.0021786 k( 52) = ( -0.2850531 0.2850531 0.2850531), wk = 0.0021786 k( 53) = ( -0.2906424 0.2906424 0.2906424), wk = 0.0021786 k( 54) = ( -0.2962317 0.2962317 0.2962317), wk = 0.0021786 k( 55) = ( -0.3018209 0.3018209 0.3018209), wk = 0.0021786 k( 56) = ( -0.3074102 0.3074102 0.3074102), wk = 0.0021786 k( 57) = ( -0.3129995 0.3129995 0.3129995), wk = 0.0021786 k( 58) = ( -0.3185888 0.3185888 0.3185888), wk = 0.0021786 k( 59) = ( -0.3241780 0.3241780 0.3241780), wk = 0.0021786 k( 60) = ( -0.3297673 0.3297673 0.3297673), wk = 0.0021786 k( 61) = ( -0.3353566 0.3353566 0.3353566), wk = 0.0021786 k( 62) = ( -0.3409459 0.3409459 0.3409459), wk = 0.0021786 k( 63) = ( -0.3465352 0.3465352 0.3465351), wk = 0.0021786 k( 64) = ( -0.3521244 0.3521244 0.3521244), wk = 0.0021786 k( 65) = ( -0.3521244 0.3521244 0.3521244), wk = 0.0021786 k( 66) = ( -0.3437420 0.3437420 0.3605068), wk = 0.0021786 k( 67) = ( -0.3353597 0.3353597 0.3688892), wk = 0.0021786 k( 68) = ( -0.3353597 0.3353597 0.3688892), wk = 0.0021786 k( 69) = ( -0.3251972 0.3251972 0.3728622), wk = 0.0021786 k( 70) = ( -0.3150348 0.3150348 0.3768353), wk = 0.0021786 k( 71) = ( -0.3048724 0.3048724 0.3808084), wk = 0.0021786 k( 72) = ( -0.2947100 0.2947100 0.3847814), wk = 0.0021786 k( 73) = ( -0.2845476 0.2845476 0.3887545), wk = 0.0021786 k( 74) = ( -0.2743852 0.2743852 0.3927275), wk = 0.0021786 k( 75) = ( -0.2642228 0.2642228 0.3967006), wk = 0.0021786 k( 76) = ( -0.2540603 0.2540603 0.4006736), wk = 0.0021786 k( 77) = ( -0.2438979 0.2438979 0.4046467), wk = 0.0021786 k( 78) = ( -0.2337355 0.2337355 0.4086197), wk = 0.0021786 k( 79) = ( -0.2235731 0.2235731 0.4125928), wk = 0.0021786 k( 80) = ( -0.2134107 0.2134107 0.4165658), wk = 0.0021786 k( 81) = ( -0.2032483 0.2032483 0.4205389), wk = 0.0021786 k( 82) = ( -0.1930859 0.1930859 0.4245119), wk = 0.0021786 k( 83) = ( -0.1829234 0.1829234 0.4284850), wk = 0.0021786 k( 84) = ( -0.1727610 0.1727610 0.4324581), wk = 0.0021786 k( 85) = ( -0.1625986 0.1625986 0.4364311), wk = 0.0021786 k( 86) = ( -0.1524362 0.1524362 0.4404042), wk = 0.0021786 k( 87) = ( -0.1422738 0.1422738 0.4443772), wk = 0.0021786 k( 88) = ( -0.1321114 0.1321114 0.4483503), wk = 0.0021786 k( 89) = ( -0.1219490 0.1219490 0.4523233), wk = 0.0021786 k( 90) = ( -0.1117865 0.1117865 0.4562964), wk = 0.0021786 k( 91) = ( -0.1016241 0.1016241 0.4602694), wk = 0.0021786 k( 92) = ( -0.0914617 0.0914617 0.4642425), wk = 0.0021786 k( 93) = ( -0.0812993 0.0812993 0.4682156), wk = 0.0021786 k( 94) = ( -0.0711369 0.0711369 0.4721886), wk = 0.0021786 k( 95) = ( -0.0609745 0.0609745 0.4761617), wk = 0.0021786 k( 96) = ( -0.0508121 0.0508121 0.4801347), wk = 0.0021786 k( 97) = ( -0.0406497 0.0406497 0.4841078), wk = 0.0021786 k( 98) = ( -0.0304872 0.0304872 0.4880808), wk = 0.0021786 k( 99) = ( -0.0203248 0.0203248 0.4920539), wk = 0.0021786 k( 100) = ( -0.0101624 0.0101624 0.4960269), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 103) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021786 k( 104) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021786 k( 105) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021786 k( 106) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021786 k( 107) = ( 0.0431035 0.0431035 0.4568965), wk = 0.0021786 k( 108) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021786 k( 109) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021786 k( 110) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021786 k( 111) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021786 k( 112) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021786 k( 113) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021786 k( 114) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021786 k( 115) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021786 k( 116) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021786 k( 117) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021786 k( 118) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021786 k( 119) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021786 k( 120) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021786 k( 121) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021786 k( 122) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021786 k( 123) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021786 k( 124) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021786 k( 125) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021786 k( 126) = ( 0.2068966 0.2068966 0.2931034), wk = 0.0021786 k( 127) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021786 k( 128) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021786 k( 129) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021786 k( 130) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021786 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 133) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0021786 k( 134) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0021786 k( 135) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0021786 k( 136) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0021786 k( 137) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021786 k( 138) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021786 k( 139) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0021786 k( 140) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0021786 k( 141) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0021786 k( 142) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021786 k( 143) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0021786 k( 144) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021786 k( 145) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0021786 k( 146) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0021786 k( 147) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021786 k( 148) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0021786 k( 149) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0021786 k( 150) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021786 k( 151) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0021786 k( 152) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021786 k( 153) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0021786 k( 154) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0021786 k( 155) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0021786 k( 156) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021786 k( 157) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021786 k( 158) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0021786 k( 159) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0021786 k( 160) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0021786 k( 161) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0021786 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021786 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021786 k( 164) = ( 0.0103566 0.5043493 -0.0103566), wk = 0.0021786 k( 165) = ( 0.0207132 0.5086986 -0.0207132), wk = 0.0021786 k( 166) = ( 0.0310698 0.5130478 -0.0310698), wk = 0.0021786 k( 167) = ( 0.0414264 0.5173971 -0.0414264), wk = 0.0021786 k( 168) = ( 0.0517830 0.5217464 -0.0517830), wk = 0.0021786 k( 169) = ( 0.0621396 0.5260957 -0.0621396), wk = 0.0021786 k( 170) = ( 0.0724962 0.5304450 -0.0724962), wk = 0.0021786 k( 171) = ( 0.0828528 0.5347942 -0.0828528), wk = 0.0021786 k( 172) = ( 0.0932094 0.5391435 -0.0932094), wk = 0.0021786 k( 173) = ( 0.1035660 0.5434928 -0.1035660), wk = 0.0021786 k( 174) = ( 0.1139226 0.5478421 -0.1139226), wk = 0.0021786 k( 175) = ( 0.1242792 0.5521914 -0.1242792), wk = 0.0021786 k( 176) = ( 0.1346358 0.5565407 -0.1346358), wk = 0.0021786 k( 177) = ( 0.1449924 0.5608899 -0.1449924), wk = 0.0021786 k( 178) = ( 0.1553490 0.5652392 -0.1553490), wk = 0.0021786 k( 179) = ( 0.1657056 0.5695885 -0.1657056), wk = 0.0021786 k( 180) = ( 0.1760622 0.5739378 -0.1760622), wk = 0.0021786 k( 181) = ( 0.1864188 0.5782871 -0.1864188), wk = 0.0021786 k( 182) = ( 0.1967754 0.5826364 -0.1967754), wk = 0.0021786 k( 183) = ( 0.2071320 0.5869856 -0.2071320), wk = 0.0021786 k( 184) = ( 0.2174886 0.5913349 -0.2174886), wk = 0.0021786 k( 185) = ( 0.2278452 0.5956842 -0.2278452), wk = 0.0021786 k( 186) = ( 0.2382018 0.6000335 -0.2382018), wk = 0.0021786 k( 187) = ( 0.2485584 0.6043828 -0.2485584), wk = 0.0021786 k( 188) = ( 0.2589150 0.6087320 -0.2589150), wk = 0.0021786 k( 189) = ( 0.2692716 0.6130813 -0.2692716), wk = 0.0021786 k( 190) = ( 0.2796282 0.6174306 -0.2796282), wk = 0.0021786 k( 191) = ( 0.2899848 0.6217799 -0.2899848), wk = 0.0021786 k( 192) = ( 0.3003414 0.6261292 -0.3003414), wk = 0.0021786 k( 193) = ( 0.3106980 0.6304785 -0.3106980), wk = 0.0021786 k( 194) = ( 0.3210546 0.6348277 -0.3210546), wk = 0.0021786 k( 195) = ( 0.3314112 0.6391770 -0.3314112), wk = 0.0021786 k( 196) = ( 0.3417678 0.6435263 -0.3417678), wk = 0.0021786 k( 197) = ( 0.3521244 0.6478756 -0.3521244), wk = 0.0021786 k( 198) = ( 0.3521244 0.6478756 -0.3521244), wk = 0.0021786 k( 199) = ( 0.3576013 0.6423987 -0.3576013), wk = 0.0021786 k( 200) = ( 0.3630782 0.6369218 -0.3630782), wk = 0.0021786 k( 201) = ( 0.3685550 0.6314450 -0.3685550), wk = 0.0021786 k( 202) = ( 0.3740319 0.6259681 -0.3740319), wk = 0.0021786 k( 203) = ( 0.3795088 0.6204912 -0.3795088), wk = 0.0021786 k( 204) = ( 0.3849857 0.6150143 -0.3849857), wk = 0.0021786 k( 205) = ( 0.3904625 0.6095375 -0.3904625), wk = 0.0021786 k( 206) = ( 0.3959394 0.6040606 -0.3959394), wk = 0.0021786 k( 207) = ( 0.4014163 0.5985837 -0.4014163), wk = 0.0021786 k( 208) = ( 0.4068931 0.5931068 -0.4068931), wk = 0.0021786 k( 209) = ( 0.4123700 0.5876300 -0.4123700), wk = 0.0021786 k( 210) = ( 0.4178469 0.5821531 -0.4178469), wk = 0.0021786 k( 211) = ( 0.4233238 0.5766762 -0.4233238), wk = 0.0021786 k( 212) = ( 0.4288007 0.5711994 -0.4288006), wk = 0.0021786 k( 213) = ( 0.4342775 0.5657225 -0.4342775), wk = 0.0021786 k( 214) = ( 0.4397544 0.5602456 -0.4397544), wk = 0.0021786 k( 215) = ( 0.4452313 0.5547687 -0.4452313), wk = 0.0021786 k( 216) = ( 0.4507081 0.5492919 -0.4507081), wk = 0.0021786 k( 217) = ( 0.4561850 0.5438150 -0.4561850), wk = 0.0021786 k( 218) = ( 0.4616619 0.5383381 -0.4616619), wk = 0.0021786 k( 219) = ( 0.4671388 0.5328612 -0.4671388), wk = 0.0021786 k( 220) = ( 0.4726156 0.5273844 -0.4726156), wk = 0.0021786 k( 221) = ( 0.4780925 0.5219075 -0.4780925), wk = 0.0021786 k( 222) = ( 0.4835694 0.5164306 -0.4835694), wk = 0.0021786 k( 223) = ( 0.4890463 0.5109537 -0.4890463), wk = 0.0021786 k( 224) = ( 0.4945231 0.5054769 -0.4945231), wk = 0.0021786 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0021786 k( 228) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0021786 k( 229) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0021786 k( 230) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0021786 k( 231) = ( 0.4561404 0.4561403 -0.4561403), wk = 0.0021786 k( 232) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0021786 k( 233) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0021786 k( 234) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0021786 k( 235) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0021786 k( 236) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0021786 k( 237) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0021786 k( 238) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0021786 k( 239) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0021786 k( 240) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0021786 k( 241) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0021786 k( 242) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0021786 k( 243) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0021786 k( 244) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0021786 k( 245) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021786 k( 246) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0021786 k( 247) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0021786 k( 248) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0021786 k( 249) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0021786 k( 250) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0021786 k( 251) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0021786 k( 252) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0021786 k( 253) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0021786 k( 254) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0021786 k( 255) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0021786 k( 256) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0021786 k( 257) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0021786 k( 258) = ( 0.2192983 0.2192982 -0.2192982), wk = 0.0021786 k( 259) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0021786 k( 260) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0021786 k( 261) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0021786 k( 262) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0021786 k( 263) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0021786 k( 264) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021786 k( 265) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0021786 k( 266) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0021786 k( 267) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0021786 k( 268) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0021786 k( 269) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0021786 k( 270) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0021786 k( 271) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0021786 k( 272) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0021786 k( 273) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0021786 k( 274) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0021786 k( 275) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0021786 k( 276) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0021786 k( 277) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0021786 k( 278) = ( 0.0438597 0.0438597 -0.0438597), wk = 0.0021786 k( 279) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0021786 k( 280) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0021786 k( 281) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0021786 k( 282) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084778 -0.0084778 0.0084778), wk = 0.0021786 k( 286) = ( 0.0169556 -0.0169556 0.0169556), wk = 0.0021786 k( 287) = ( 0.0254334 -0.0254334 0.0254334), wk = 0.0021786 k( 288) = ( 0.0339112 -0.0339112 0.0339112), wk = 0.0021786 k( 289) = ( 0.0423891 -0.0423891 0.0423891), wk = 0.0021786 k( 290) = ( 0.0508669 -0.0508669 0.0508669), wk = 0.0021786 k( 291) = ( 0.0593447 -0.0593447 0.0593447), wk = 0.0021786 k( 292) = ( 0.0678225 -0.0678225 0.0678225), wk = 0.0021786 k( 293) = ( 0.0763003 -0.0763003 0.0763003), wk = 0.0021786 k( 294) = ( 0.0847781 -0.0847781 0.0847781), wk = 0.0021786 k( 295) = ( 0.0932559 -0.0932559 0.0932559), wk = 0.0021786 k( 296) = ( 0.1017337 -0.1017337 0.1017337), wk = 0.0021786 k( 297) = ( 0.1102116 -0.1102116 0.1102116), wk = 0.0021786 k( 298) = ( 0.1186894 -0.1186894 0.1186894), wk = 0.0021786 k( 299) = ( 0.1271672 -0.1271672 0.1271672), wk = 0.0021786 k( 300) = ( 0.1356450 -0.1356450 0.1356450), wk = 0.0021786 k( 301) = ( 0.1441228 -0.1441228 0.1441228), wk = 0.0021786 k( 302) = ( 0.1526006 -0.1526006 0.1526006), wk = 0.0021786 k( 303) = ( 0.1610784 -0.1610784 0.1610784), wk = 0.0021786 k( 304) = ( 0.1695562 -0.1695562 0.1695562), wk = 0.0021786 k( 305) = ( 0.1780340 -0.1780340 0.1780340), wk = 0.0021786 k( 306) = ( 0.1865119 -0.1865119 0.1865118), wk = 0.0021786 k( 307) = ( 0.1949897 -0.1949897 0.1949897), wk = 0.0021786 k( 308) = ( 0.2034675 -0.2034675 0.2034675), wk = 0.0021786 k( 309) = ( 0.2119453 -0.2119453 0.2119453), wk = 0.0021786 k( 310) = ( 0.2204231 -0.2204231 0.2204231), wk = 0.0021786 k( 311) = ( 0.2289009 -0.2289009 0.2289009), wk = 0.0021786 k( 312) = ( 0.2373787 -0.2373787 0.2373787), wk = 0.0021786 k( 313) = ( 0.2458565 -0.2458565 0.2458565), wk = 0.0021786 k( 314) = ( 0.2543343 -0.2543343 0.2543343), wk = 0.0021786 k( 315) = ( 0.2628122 -0.2628122 0.2628121), wk = 0.0021786 k( 316) = ( 0.2712900 -0.2712900 0.2712900), wk = 0.0021786 k( 317) = ( 0.2797678 -0.2797678 0.2797678), wk = 0.0021786 k( 318) = ( 0.2882456 -0.2882456 0.2882456), wk = 0.0021786 k( 319) = ( 0.2967234 -0.2967234 0.2967234), wk = 0.0021786 k( 320) = ( 0.3052012 -0.3052012 0.3052012), wk = 0.0021786 k( 321) = ( 0.3136790 -0.3136790 0.3136790), wk = 0.0021786 k( 322) = ( 0.3221568 -0.3221568 0.3221568), wk = 0.0021786 k( 323) = ( 0.3306346 -0.3306346 0.3306346), wk = 0.0021786 k( 324) = ( 0.3391125 -0.3391125 0.3391125), wk = 0.0021786 k( 325) = ( 0.3475903 -0.3475903 0.3475903), wk = 0.0021786 k( 326) = ( 0.3560681 -0.3560681 0.3560681), wk = 0.0021786 k( 327) = ( 0.3645459 -0.3645459 0.3645459), wk = 0.0021786 k( 328) = ( 0.3730237 -0.3730237 0.3730237), wk = 0.0021786 k( 329) = ( 0.3815015 -0.3815015 0.3815015), wk = 0.0021786 k( 330) = ( 0.3899793 -0.3899793 0.3899793), wk = 0.0021786 k( 331) = ( 0.3984571 -0.3984571 0.3984571), wk = 0.0021786 k( 332) = ( 0.4069349 -0.4069349 0.4069349), wk = 0.0021786 k( 333) = ( 0.4154127 -0.4154127 0.4154127), wk = 0.0021786 k( 334) = ( 0.4238906 -0.4238906 0.4238906), wk = 0.0021786 k( 335) = ( 0.4323684 -0.4323684 0.4323684), wk = 0.0021786 k( 336) = ( 0.4408462 -0.4408462 0.4408462), wk = 0.0021786 k( 337) = ( 0.4493240 -0.4493240 0.4493240), wk = 0.0021786 k( 338) = ( 0.4578018 -0.4578018 0.4578018), wk = 0.0021786 k( 339) = ( 0.4662796 -0.4662796 0.4662796), wk = 0.0021786 k( 340) = ( 0.4747574 -0.4747574 0.4747574), wk = 0.0021786 k( 341) = ( 0.4832352 -0.4832352 0.4832352), wk = 0.0021786 k( 342) = ( 0.4832352 -0.4832352 0.4832352), wk = 0.0021786 k( 343) = ( 0.4836544 -0.4711544 0.4711544), wk = 0.0021786 k( 344) = ( 0.4840735 -0.4590735 0.4590735), wk = 0.0021786 k( 345) = ( 0.4844926 -0.4469926 0.4469926), wk = 0.0021786 k( 346) = ( 0.4849117 -0.4349117 0.4349117), wk = 0.0021786 k( 347) = ( 0.4853308 -0.4228308 0.4228308), wk = 0.0021786 k( 348) = ( 0.4857499 -0.4107499 0.4107500), wk = 0.0021786 k( 349) = ( 0.4861691 -0.3986691 0.3986691), wk = 0.0021786 k( 350) = ( 0.4865882 -0.3865882 0.3865882), wk = 0.0021786 k( 351) = ( 0.4870073 -0.3745073 0.3745073), wk = 0.0021786 k( 352) = ( 0.4874264 -0.3624264 0.3624264), wk = 0.0021786 k( 353) = ( 0.4878456 -0.3503456 0.3503456), wk = 0.0021786 k( 354) = ( 0.4882647 -0.3382647 0.3382647), wk = 0.0021786 k( 355) = ( 0.4886838 -0.3261838 0.3261838), wk = 0.0021786 k( 356) = ( 0.4891029 -0.3141029 0.3141029), wk = 0.0021786 k( 357) = ( 0.4895220 -0.3020220 0.3020220), wk = 0.0021786 k( 358) = ( 0.4899411 -0.2899411 0.2899411), wk = 0.0021786 k( 359) = ( 0.4903603 -0.2778603 0.2778603), wk = 0.0021786 k( 360) = ( 0.4907794 -0.2657794 0.2657794), wk = 0.0021786 k( 361) = ( 0.4911985 -0.2536985 0.2536985), wk = 0.0021786 k( 362) = ( 0.4916176 -0.2416176 0.2416176), wk = 0.0021786 k( 363) = ( 0.4920367 -0.2295367 0.2295367), wk = 0.0021786 k( 364) = ( 0.4924559 -0.2174559 0.2174559), wk = 0.0021786 k( 365) = ( 0.4928750 -0.2053750 0.2053750), wk = 0.0021786 k( 366) = ( 0.4932941 -0.1932941 0.1932941), wk = 0.0021786 k( 367) = ( 0.4937132 -0.1812132 0.1812132), wk = 0.0021786 k( 368) = ( 0.4941323 -0.1691323 0.1691323), wk = 0.0021786 k( 369) = ( 0.4945515 -0.1570515 0.1570515), wk = 0.0021786 k( 370) = ( 0.4949706 -0.1449706 0.1449706), wk = 0.0021786 k( 371) = ( 0.4953897 -0.1328897 0.1328897), wk = 0.0021786 k( 372) = ( 0.4958088 -0.1208088 0.1208088), wk = 0.0021786 k( 373) = ( 0.4962279 -0.1087279 0.1087279), wk = 0.0021786 k( 374) = ( 0.4966470 -0.0966470 0.0966471), wk = 0.0021786 k( 375) = ( 0.4970662 -0.0845662 0.0845662), wk = 0.0021786 k( 376) = ( 0.4974853 -0.0724853 0.0724853), wk = 0.0021786 k( 377) = ( 0.4979044 -0.0604044 0.0604044), wk = 0.0021786 k( 378) = ( 0.4983235 -0.0483235 0.0483235), wk = 0.0021786 k( 379) = ( 0.4987426 -0.0362426 0.0362426), wk = 0.0021786 k( 380) = ( 0.4991618 -0.0241618 0.0241618), wk = 0.0021786 k( 381) = ( 0.4995809 -0.0120809 0.0120809), wk = 0.0021786 k( 382) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0021786 k( 383) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0021786 k( 384) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0021786 k( 385) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0021786 k( 386) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0021786 k( 387) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0021786 k( 388) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0021786 k( 389) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0021786 k( 390) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0021786 k( 391) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0021786 k( 392) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0021786 k( 393) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0021786 k( 394) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0021786 k( 395) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0021786 k( 396) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0021786 k( 397) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0021786 k( 398) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0021786 k( 399) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0021786 k( 400) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0021786 k( 401) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0021786 k( 402) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0021786 k( 403) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0021786 k( 404) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0021786 k( 405) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0021786 k( 406) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0021786 k( 407) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0021786 k( 408) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0021786 k( 409) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0021786 k( 410) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0021786 k( 411) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0021786 k( 412) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0021786 k( 413) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0021786 k( 414) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0021786 k( 415) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0021786 k( 416) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0021786 k( 417) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0021786 k( 418) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0021786 k( 419) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0021786 k( 420) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0021786 k( 421) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0021786 k( 422) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0021786 k( 423) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0021786 k( 424) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0021786 k( 425) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0021786 k( 426) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0021786 k( 427) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0021786 k( 428) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 429) = ( 0.3353597 -0.3353597 0.6311108), wk = 0.0021786 k( 430) = ( 0.3408365 -0.3408365 0.6256339), wk = 0.0021786 k( 431) = ( 0.3463134 -0.3463134 0.6201571), wk = 0.0021786 k( 432) = ( 0.3517903 -0.3517903 0.6146802), wk = 0.0021786 k( 433) = ( 0.3572672 -0.3572672 0.6092033), wk = 0.0021786 k( 434) = ( 0.3627440 -0.3627440 0.6037265), wk = 0.0021786 k( 435) = ( 0.3682209 -0.3682209 0.5982496), wk = 0.0021786 k( 436) = ( 0.3736978 -0.3736978 0.5927727), wk = 0.0021786 k( 437) = ( 0.3791747 -0.3791747 0.5872958), wk = 0.0021786 k( 438) = ( 0.3846515 -0.3846515 0.5818190), wk = 0.0021786 k( 439) = ( 0.3901284 -0.3901284 0.5763421), wk = 0.0021786 k( 440) = ( 0.3956053 -0.3956053 0.5708652), wk = 0.0021786 k( 441) = ( 0.4010821 -0.4010821 0.5653883), wk = 0.0021786 k( 442) = ( 0.4065590 -0.4065590 0.5599115), wk = 0.0021786 k( 443) = ( 0.4120359 -0.4120359 0.5544346), wk = 0.0021786 k( 444) = ( 0.4175128 -0.4175128 0.5489577), wk = 0.0021786 k( 445) = ( 0.4229896 -0.4229896 0.5434808), wk = 0.0021786 k( 446) = ( 0.4284665 -0.4284665 0.5380040), wk = 0.0021786 k( 447) = ( 0.4339434 -0.4339434 0.5325271), wk = 0.0021786 k( 448) = ( 0.4394203 -0.4394203 0.5270502), wk = 0.0021786 k( 449) = ( 0.4448971 -0.4448971 0.5215734), wk = 0.0021786 k( 450) = ( 0.4503740 -0.4503740 0.5160965), wk = 0.0021786 k( 451) = ( 0.4558509 -0.4558509 0.5106196), wk = 0.0021786 k( 452) = ( 0.4613277 -0.4613277 0.5051427), wk = 0.0021786 k( 453) = ( 0.4668046 -0.4668046 0.4996659), wk = 0.0021786 k( 454) = ( 0.4722815 -0.4722815 0.4941890), wk = 0.0021786 k( 455) = ( 0.4777584 -0.4777584 0.4887121), wk = 0.0021786 k( 456) = ( 0.4832352 -0.4832352 0.4832352), wk = 0.0021786 k( 457) = ( 0.5167648 0.4832352 -0.4832352), wk = 0.0021786 k( 458) = ( 0.5083824 0.4916176 -0.4916176), wk = 0.0021786 k( 459) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 Dense grid: 35429 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 26673 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 152, 34) NL pseudopotentials 0.06 Mb ( 76, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 739) G-vector shells 0.01 Mb ( 689) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 152, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.0 secs Computing kpt #: 3 total cpu time spent up to now is 44.8 secs Computing kpt #: 4 total cpu time spent up to now is 45.6 secs Computing kpt #: 5 total cpu time spent up to now is 46.7 secs Computing kpt #: 6 total cpu time spent up to now is 47.5 secs Computing kpt #: 7 total cpu time spent up to now is 48.3 secs Computing kpt #: 8 total cpu time spent up to now is 49.1 secs Computing kpt #: 9 total cpu time spent up to now is 50.0 secs Computing kpt #: 10 total cpu time spent up to now is 50.8 secs Computing kpt #: 11 total cpu time spent up to now is 51.7 secs Computing kpt #: 12 total cpu time spent up to now is 52.5 secs Computing kpt #: 13 total cpu time spent up to now is 53.7 secs Computing kpt #: 14 total cpu time spent up to now is 54.6 secs Computing kpt #: 15 total cpu time spent up to now is 55.5 secs Computing kpt #: 16 total cpu time spent up to now is 56.4 secs Computing kpt #: 17 total cpu time spent up to now is 57.2 secs Computing kpt #: 18 total cpu time spent up to now is 58.1 secs Computing kpt #: 19 total cpu time spent up to now is 58.9 secs Computing kpt #: 20 total cpu time spent up to now is 60.1 secs Computing kpt #: 21 total cpu time spent up to now is 60.9 secs Computing kpt #: 22 total cpu time spent up to now is 61.7 secs Computing kpt #: 23 total cpu time spent up to now is 62.5 secs Computing kpt #: 24 total cpu time spent up to now is 63.3 secs Computing kpt #: 25 total cpu time spent up to now is 64.0 secs Computing kpt #: 26 total cpu time spent up to now is 64.7 secs Computing kpt #: 27 total cpu time spent up to now is 65.8 secs Computing kpt #: 28 total cpu time spent up to now is 66.5 secs Computing kpt #: 29 total cpu time spent up to now is 67.4 secs Computing kpt #: 30 total cpu time spent up to now is 68.2 secs Computing kpt #: 31 total cpu time spent up to now is 68.8 secs Computing kpt #: 32 total cpu time spent up to now is 69.5 secs Computing kpt #: 33 total cpu time spent up to now is 70.2 secs Computing kpt #: 34 total cpu time spent up to now is 70.8 secs Computing kpt #: 35 total cpu time spent up to now is 71.8 secs Computing kpt #: 36 total cpu time spent up to now is 72.5 secs Computing kpt #: 37 total cpu time spent up to now is 73.1 secs Computing kpt #: 38 total cpu time spent up to now is 73.8 secs Computing kpt #: 39 total cpu time spent up to now is 74.5 secs Computing kpt #: 40 total cpu time spent up to now is 75.2 secs Computing kpt #: 41 total cpu time spent up to now is 75.9 secs Computing kpt #: 42 total cpu time spent up to now is 76.5 secs Computing kpt #: 43 total cpu time spent up to now is 77.5 secs Computing kpt #: 44 total cpu time spent up to now is 78.2 secs Computing kpt #: 45 total cpu time spent up to now is 78.9 secs Computing kpt #: 46 total cpu time spent up to now is 79.6 secs Computing kpt #: 47 total cpu time spent up to now is 80.3 secs Computing kpt #: 48 total cpu time spent up to now is 81.0 secs Computing kpt #: 49 total cpu time spent up to now is 81.7 secs Computing kpt #: 50 total cpu time spent up to now is 82.4 secs Computing kpt #: 51 total cpu time spent up to now is 83.7 secs Computing kpt #: 52 total cpu time spent up to now is 84.5 secs Computing kpt #: 53 total cpu time spent up to now is 85.4 secs Computing kpt #: 54 total cpu time spent up to now is 86.3 secs Computing kpt #: 55 total cpu time spent up to now is 87.0 secs Computing kpt #: 56 total cpu time spent up to now is 87.7 secs Computing kpt #: 57 total cpu time spent up to now is 88.4 secs Computing kpt #: 58 total cpu time spent up to now is 89.3 secs Computing kpt #: 59 total cpu time spent up to now is 90.0 secs Computing kpt #: 60 total cpu time spent up to now is 90.7 secs Computing kpt #: 61 total cpu time spent up to now is 91.3 secs Computing kpt #: 62 total cpu time spent up to now is 92.0 secs Computing kpt #: 63 total cpu time spent up to now is 92.7 secs Computing kpt #: 64 total cpu time spent up to now is 93.4 secs Computing kpt #: 65 total cpu time spent up to now is 94.0 secs Computing kpt #: 66 total cpu time spent up to now is 94.7 secs Computing kpt #: 67 total cpu time spent up to now is 95.3 secs Computing kpt #: 68 total cpu time spent up to now is 96.3 secs Computing kpt #: 69 total cpu time spent up to now is 97.0 secs Computing kpt #: 70 total cpu time spent up to now is 97.8 secs Computing kpt #: 71 total cpu time spent up to now is 98.9 secs Computing kpt #: 72 total cpu time spent up to now is 99.7 secs Computing kpt #: 73 total cpu time spent up to now is 100.5 secs Computing kpt #: 74 total cpu time spent up to now is 101.2 secs Computing kpt #: 75 total cpu time spent up to now is 102.4 secs Computing kpt #: 76 total cpu time spent up to now is 103.3 secs Computing kpt #: 77 total cpu time spent up to now is 104.2 secs Computing kpt #: 78 total cpu time spent up to now is 105.0 secs Computing kpt #: 79 total cpu time spent up to now is 105.8 secs Computing kpt #: 80 total cpu time spent up to now is 106.6 secs Computing kpt #: 81 total cpu time spent up to now is 107.5 secs Computing kpt #: 82 total cpu time spent up to now is 108.5 secs Computing kpt #: 83 total cpu time spent up to now is 109.5 secs Computing kpt #: 84 total cpu time spent up to now is 110.4 secs Computing kpt #: 85 total cpu time spent up to now is 111.2 secs Computing kpt #: 86 total cpu time spent up to now is 112.0 secs Computing kpt #: 87 total cpu time spent up to now is 112.9 secs Computing kpt #: 88 total cpu time spent up to now is 113.7 secs Computing kpt #: 89 total cpu time spent up to now is 114.5 secs Computing kpt #: 90 total cpu time spent up to now is 115.6 secs Computing kpt #: 91 total cpu time spent up to now is 116.4 secs Computing kpt #: 92 total cpu time spent up to now is 117.3 secs Computing kpt #: 93 total cpu time spent up to now is 118.2 secs Computing kpt #: 94 total cpu time spent up to now is 118.9 secs Computing kpt #: 95 total cpu time spent up to now is 119.7 secs Computing kpt #: 96 total cpu time spent up to now is 120.3 secs Computing kpt #: 97 total cpu time spent up to now is 121.0 secs Computing kpt #: 98 total cpu time spent up to now is 121.7 secs Computing kpt #: 99 total cpu time spent up to now is 122.9 secs Computing kpt #: 100 total cpu time spent up to now is 123.6 secs Computing kpt #: 101 total cpu time spent up to now is 124.2 secs Computing kpt #: 102 total cpu time spent up to now is 124.9 secs Computing kpt #: 103 total cpu time spent up to now is 125.6 secs Computing kpt #: 104 total cpu time spent up to now is 126.2 secs Computing kpt #: 105 total cpu time spent up to now is 127.0 secs Computing kpt #: 106 total cpu time spent up to now is 127.8 secs Computing kpt #: 107 total cpu time spent up to now is 128.5 secs Computing kpt #: 108 total cpu time spent up to now is 129.5 secs Computing kpt #: 109 total cpu time spent up to now is 130.2 secs Computing kpt #: 110 total cpu time spent up to now is 130.8 secs Computing kpt #: 111 total cpu time spent up to now is 131.5 secs Computing kpt #: 112 total cpu time spent up to now is 132.2 secs Computing kpt #: 113 total cpu time spent up to now is 132.9 secs Computing kpt #: 114 total cpu time spent up to now is 133.6 secs Computing kpt #: 115 total cpu time spent up to now is 134.2 secs Computing kpt #: 116 total cpu time spent up to now is 135.2 secs Computing kpt #: 117 total cpu time spent up to now is 135.9 secs Computing kpt #: 118 total cpu time spent up to now is 136.5 secs Computing kpt #: 119 total cpu time spent up to now is 137.1 secs Computing kpt #: 120 total cpu time spent up to now is 137.7 secs Computing kpt #: 121 total cpu time spent up to now is 138.3 secs Computing kpt #: 122 total cpu time spent up to now is 138.9 secs Computing kpt #: 123 total cpu time spent up to now is 139.5 secs Computing kpt #: 124 total cpu time spent up to now is 140.3 secs Computing kpt #: 125 total cpu time spent up to now is 141.2 secs Computing kpt #: 126 total cpu time spent up to now is 141.8 secs Computing kpt #: 127 total cpu time spent up to now is 142.4 secs Computing kpt #: 128 total cpu time spent up to now is 143.0 secs Computing kpt #: 129 total cpu time spent up to now is 143.6 secs Computing kpt #: 130 total cpu time spent up to now is 144.2 secs Computing kpt #: 131 total cpu time spent up to now is 144.8 secs Computing kpt #: 132 total cpu time spent up to now is 145.7 secs Computing kpt #: 133 total cpu time spent up to now is 146.5 secs Computing kpt #: 134 total cpu time spent up to now is 147.1 secs Computing kpt #: 135 total cpu time spent up to now is 147.7 secs Computing kpt #: 136 total cpu time spent up to now is 148.4 secs Computing kpt #: 137 total cpu time spent up to now is 149.0 secs Computing kpt #: 138 total cpu time spent up to now is 149.6 secs Computing kpt #: 139 total cpu time spent up to now is 150.3 secs Computing kpt #: 140 total cpu time spent up to now is 150.9 secs Computing kpt #: 141 total cpu time spent up to now is 151.8 secs Computing kpt #: 142 total cpu time spent up to now is 152.5 secs Computing kpt #: 143 total cpu time spent up to now is 153.3 secs Computing kpt #: 144 total cpu time spent up to now is 154.0 secs Computing kpt #: 145 total cpu time spent up to now is 154.7 secs Computing kpt #: 146 total cpu time spent up to now is 155.4 secs Computing kpt #: 147 total cpu time spent up to now is 156.1 secs Computing kpt #: 148 total cpu time spent up to now is 156.9 secs Computing kpt #: 149 total cpu time spent up to now is 157.6 secs Computing kpt #: 150 total cpu time spent up to now is 158.7 secs Computing kpt #: 151 total cpu time spent up to now is 159.4 secs Computing kpt #: 152 total cpu time spent up to now is 160.1 secs Computing kpt #: 153 total cpu time spent up to now is 160.9 secs Computing kpt #: 154 total cpu time spent up to now is 161.6 secs Computing kpt #: 155 total cpu time spent up to now is 162.3 secs Computing kpt #: 156 total cpu time spent up to now is 163.1 secs Computing kpt #: 157 total cpu time spent up to now is 164.0 secs Computing kpt #: 158 total cpu time spent up to now is 165.1 secs Computing kpt #: 159 total cpu time spent up to now is 166.0 secs Computing kpt #: 160 total cpu time spent up to now is 166.7 secs Computing kpt #: 161 total cpu time spent up to now is 167.4 secs Computing kpt #: 162 total cpu time spent up to now is 168.1 secs Computing kpt #: 163 total cpu time spent up to now is 168.9 secs Computing kpt #: 164 total cpu time spent up to now is 169.7 secs Computing kpt #: 165 total cpu time spent up to now is 170.4 secs Computing kpt #: 166 total cpu time spent up to now is 171.4 secs Computing kpt #: 167 total cpu time spent up to now is 172.1 secs Computing kpt #: 168 total cpu time spent up to now is 172.8 secs Computing kpt #: 169 total cpu time spent up to now is 173.5 secs Computing kpt #: 170 total cpu time spent up to now is 174.2 secs Computing kpt #: 171 total cpu time spent up to now is 174.9 secs Computing kpt #: 172 total cpu time spent up to now is 175.7 secs Computing kpt #: 173 total cpu time spent up to now is 176.8 secs Computing kpt #: 174 total cpu time spent up to now is 177.5 secs Computing kpt #: 175 total cpu time spent up to now is 178.2 secs Computing kpt #: 176 total cpu time spent up to now is 178.8 secs Computing kpt #: 177 total cpu time spent up to now is 179.5 secs Computing kpt #: 178 total cpu time spent up to now is 180.2 secs Computing kpt #: 179 total cpu time spent up to now is 181.0 secs Computing kpt #: 180 total cpu time spent up to now is 181.7 secs Computing kpt #: 181 total cpu time spent up to now is 182.4 secs Computing kpt #: 182 total cpu time spent up to now is 183.5 secs Computing kpt #: 183 total cpu time spent up to now is 184.2 secs Computing kpt #: 184 total cpu time spent up to now is 184.9 secs Computing kpt #: 185 total cpu time spent up to now is 185.6 secs Computing kpt #: 186 total cpu time spent up to now is 186.3 secs Computing kpt #: 187 total cpu time spent up to now is 187.0 secs Computing kpt #: 188 total cpu time spent up to now is 187.6 secs Computing kpt #: 189 total cpu time spent up to now is 188.3 secs Computing kpt #: 190 total cpu time spent up to now is 189.2 secs Computing kpt #: 191 total cpu time spent up to now is 190.0 secs Computing kpt #: 192 total cpu time spent up to now is 190.6 secs Computing kpt #: 193 total cpu time spent up to now is 191.3 secs Computing kpt #: 194 total cpu time spent up to now is 191.9 secs Computing kpt #: 195 total cpu time spent up to now is 192.6 secs Computing kpt #: 196 total cpu time spent up to now is 193.2 secs Computing kpt #: 197 total cpu time spent up to now is 193.9 secs Computing kpt #: 198 total cpu time spent up to now is 194.5 secs Computing kpt #: 199 total cpu time spent up to now is 195.5 secs Computing kpt #: 200 total cpu time spent up to now is 196.2 secs Computing kpt #: 201 total cpu time spent up to now is 196.8 secs Computing kpt #: 202 total cpu time spent up to now is 197.4 secs Computing kpt #: 203 total cpu time spent up to now is 198.3 secs Computing kpt #: 204 total cpu time spent up to now is 199.0 secs Computing kpt #: 205 total cpu time spent up to now is 199.8 secs Computing kpt #: 206 total cpu time spent up to now is 200.9 secs Computing kpt #: 207 total cpu time spent up to now is 201.7 secs Computing kpt #: 208 total cpu time spent up to now is 202.4 secs Computing kpt #: 209 total cpu time spent up to now is 203.1 secs Computing kpt #: 210 total cpu time spent up to now is 203.8 secs Computing kpt #: 211 total cpu time spent up to now is 204.5 secs Computing kpt #: 212 total cpu time spent up to now is 205.2 secs Computing kpt #: 213 total cpu time spent up to now is 206.3 secs Computing kpt #: 214 total cpu time spent up to now is 206.9 secs Computing kpt #: 215 total cpu time spent up to now is 207.7 secs Computing kpt #: 216 total cpu time spent up to now is 208.3 secs Computing kpt #: 217 total cpu time spent up to now is 209.0 secs Computing kpt #: 218 total cpu time spent up to now is 209.7 secs Computing kpt #: 219 total cpu time spent up to now is 210.5 secs Computing kpt #: 220 total cpu time spent up to now is 211.6 secs Computing kpt #: 221 total cpu time spent up to now is 212.5 secs Computing kpt #: 222 total cpu time spent up to now is 213.5 secs Computing kpt #: 223 total cpu time spent up to now is 214.3 secs Computing kpt #: 224 total cpu time spent up to now is 215.1 secs Computing kpt #: 225 total cpu time spent up to now is 215.8 secs Computing kpt #: 226 total cpu time spent up to now is 216.5 secs Computing kpt #: 227 total cpu time spent up to now is 217.6 secs Computing kpt #: 228 total cpu time spent up to now is 218.3 secs Computing kpt #: 229 total cpu time spent up to now is 219.1 secs Computing kpt #: 230 total cpu time spent up to now is 219.8 secs Computing kpt #: 231 total cpu time spent up to now is 220.6 secs Computing kpt #: 232 total cpu time spent up to now is 221.4 secs Computing kpt #: 233 total cpu time spent up to now is 222.4 secs Computing kpt #: 234 total cpu time spent up to now is 223.2 secs Computing kpt #: 235 total cpu time spent up to now is 223.8 secs Computing kpt #: 236 total cpu time spent up to now is 224.5 secs Computing kpt #: 237 total cpu time spent up to now is 225.2 secs Computing kpt #: 238 total cpu time spent up to now is 225.8 secs Computing kpt #: 239 total cpu time spent up to now is 226.5 secs Computing kpt #: 240 total cpu time spent up to now is 228.0 secs Computing kpt #: 241 total cpu time spent up to now is 229.1 secs Computing kpt #: 242 total cpu time spent up to now is 230.2 secs Computing kpt #: 243 total cpu time spent up to now is 231.2 secs Computing kpt #: 244 total cpu time spent up to now is 232.2 secs Computing kpt #: 245 total cpu time spent up to now is 233.3 secs Computing kpt #: 246 total cpu time spent up to now is 234.0 secs Computing kpt #: 247 total cpu time spent up to now is 234.7 secs Computing kpt #: 248 total cpu time spent up to now is 235.4 secs Computing kpt #: 249 total cpu time spent up to now is 236.0 secs Computing kpt #: 250 total cpu time spent up to now is 236.7 secs Computing kpt #: 251 total cpu time spent up to now is 237.4 secs Computing kpt #: 252 total cpu time spent up to now is 238.4 secs Computing kpt #: 253 total cpu time spent up to now is 239.0 secs Computing kpt #: 254 total cpu time spent up to now is 239.6 secs Computing kpt #: 255 total cpu time spent up to now is 240.3 secs Computing kpt #: 256 total cpu time spent up to now is 240.9 secs Computing kpt #: 257 total cpu time spent up to now is 241.5 secs Computing kpt #: 258 total cpu time spent up to now is 242.3 secs Computing kpt #: 259 total cpu time spent up to now is 243.0 secs Computing kpt #: 260 total cpu time spent up to now is 243.6 secs Computing kpt #: 261 total cpu time spent up to now is 244.6 secs Computing kpt #: 262 total cpu time spent up to now is 245.3 secs Computing kpt #: 263 total cpu time spent up to now is 245.9 secs Computing kpt #: 264 total cpu time spent up to now is 246.6 secs Computing kpt #: 265 total cpu time spent up to now is 247.4 secs Computing kpt #: 266 total cpu time spent up to now is 248.1 secs Computing kpt #: 267 total cpu time spent up to now is 248.7 secs Computing kpt #: 268 total cpu time spent up to now is 249.5 secs Computing kpt #: 269 total cpu time spent up to now is 250.6 secs Computing kpt #: 270 total cpu time spent up to now is 251.3 secs Computing kpt #: 271 total cpu time spent up to now is 252.0 secs Computing kpt #: 272 total cpu time spent up to now is 253.0 secs Computing kpt #: 273 total cpu time spent up to now is 254.0 secs Computing kpt #: 274 total cpu time spent up to now is 254.8 secs Computing kpt #: 275 total cpu time spent up to now is 256.1 secs Computing kpt #: 276 total cpu time spent up to now is 257.0 secs Computing kpt #: 277 total cpu time spent up to now is 257.9 secs Computing kpt #: 278 total cpu time spent up to now is 258.8 secs Computing kpt #: 279 total cpu time spent up to now is 259.7 secs Computing kpt #: 280 total cpu time spent up to now is 260.5 secs Computing kpt #: 281 total cpu time spent up to now is 261.8 secs Computing kpt #: 282 total cpu time spent up to now is 262.6 secs Computing kpt #: 283 total cpu time spent up to now is 263.4 secs Computing kpt #: 284 total cpu time spent up to now is 264.2 secs Computing kpt #: 285 total cpu time spent up to now is 265.1 secs Computing kpt #: 286 total cpu time spent up to now is 265.9 secs Computing kpt #: 287 total cpu time spent up to now is 266.7 secs Computing kpt #: 288 total cpu time spent up to now is 267.8 secs Computing kpt #: 289 total cpu time spent up to now is 268.6 secs Computing kpt #: 290 total cpu time spent up to now is 269.3 secs Computing kpt #: 291 total cpu time spent up to now is 270.0 secs Computing kpt #: 292 total cpu time spent up to now is 270.8 secs Computing kpt #: 293 total cpu time spent up to now is 271.5 secs Computing kpt #: 294 total cpu time spent up to now is 272.3 secs Computing kpt #: 295 total cpu time spent up to now is 273.3 secs Computing kpt #: 296 total cpu time spent up to now is 274.2 secs Computing kpt #: 297 total cpu time spent up to now is 274.9 secs Computing kpt #: 298 total cpu time spent up to now is 275.7 secs Computing kpt #: 299 total cpu time spent up to now is 276.4 secs Computing kpt #: 300 total cpu time spent up to now is 277.2 secs Computing kpt #: 301 total cpu time spent up to now is 278.0 secs Computing kpt #: 302 total cpu time spent up to now is 278.9 secs Computing kpt #: 303 total cpu time spent up to now is 279.8 secs Computing kpt #: 304 total cpu time spent up to now is 280.6 secs Computing kpt #: 305 total cpu time spent up to now is 281.4 secs Computing kpt #: 306 total cpu time spent up to now is 282.1 secs Computing kpt #: 307 total cpu time spent up to now is 282.7 secs Computing kpt #: 308 total cpu time spent up to now is 283.4 secs Computing kpt #: 309 total cpu time spent up to now is 284.1 secs Computing kpt #: 310 total cpu time spent up to now is 284.8 secs Computing kpt #: 311 total cpu time spent up to now is 285.4 secs Computing kpt #: 312 total cpu time spent up to now is 286.3 secs Computing kpt #: 313 total cpu time spent up to now is 287.1 secs Computing kpt #: 314 total cpu time spent up to now is 287.7 secs Computing kpt #: 315 total cpu time spent up to now is 288.3 secs Computing kpt #: 316 total cpu time spent up to now is 289.0 secs Computing kpt #: 317 total cpu time spent up to now is 289.9 secs Computing kpt #: 318 total cpu time spent up to now is 290.5 secs Computing kpt #: 319 total cpu time spent up to now is 291.3 secs Computing kpt #: 320 total cpu time spent up to now is 292.0 secs Computing kpt #: 321 total cpu time spent up to now is 293.1 secs Computing kpt #: 322 total cpu time spent up to now is 293.8 secs Computing kpt #: 323 total cpu time spent up to now is 294.4 secs Computing kpt #: 324 total cpu time spent up to now is 295.1 secs Computing kpt #: 325 total cpu time spent up to now is 295.9 secs Computing kpt #: 326 total cpu time spent up to now is 296.6 secs Computing kpt #: 327 total cpu time spent up to now is 297.3 secs Computing kpt #: 328 total cpu time spent up to now is 297.9 secs Computing kpt #: 329 total cpu time spent up to now is 298.6 secs Computing kpt #: 330 total cpu time spent up to now is 299.6 secs Computing kpt #: 331 total cpu time spent up to now is 300.3 secs Computing kpt #: 332 total cpu time spent up to now is 300.9 secs Computing kpt #: 333 total cpu time spent up to now is 301.6 secs Computing kpt #: 334 total cpu time spent up to now is 302.5 secs Computing kpt #: 335 total cpu time spent up to now is 303.3 secs Computing kpt #: 336 total cpu time spent up to now is 304.1 secs Computing kpt #: 337 total cpu time spent up to now is 305.3 secs Computing kpt #: 338 total cpu time spent up to now is 306.0 secs Computing kpt #: 339 total cpu time spent up to now is 306.8 secs Computing kpt #: 340 total cpu time spent up to now is 307.6 secs Computing kpt #: 341 total cpu time spent up to now is 308.3 secs Computing kpt #: 342 total cpu time spent up to now is 309.0 secs Computing kpt #: 343 total cpu time spent up to now is 309.8 secs Computing kpt #: 344 total cpu time spent up to now is 310.6 secs Computing kpt #: 345 total cpu time spent up to now is 311.6 secs Computing kpt #: 346 total cpu time spent up to now is 312.4 secs Computing kpt #: 347 total cpu time spent up to now is 313.2 secs Computing kpt #: 348 total cpu time spent up to now is 314.0 secs Computing kpt #: 349 total cpu time spent up to now is 314.9 secs Computing kpt #: 350 total cpu time spent up to now is 315.7 secs Computing kpt #: 351 total cpu time spent up to now is 316.4 secs Computing kpt #: 352 total cpu time spent up to now is 317.2 secs Computing kpt #: 353 total cpu time spent up to now is 318.3 secs Computing kpt #: 354 total cpu time spent up to now is 319.1 secs Computing kpt #: 355 total cpu time spent up to now is 320.1 secs Computing kpt #: 356 total cpu time spent up to now is 321.1 secs Computing kpt #: 357 total cpu time spent up to now is 322.0 secs Computing kpt #: 358 total cpu time spent up to now is 323.1 secs Computing kpt #: 359 total cpu time spent up to now is 324.0 secs Computing kpt #: 360 total cpu time spent up to now is 325.0 secs Computing kpt #: 361 total cpu time spent up to now is 325.8 secs Computing kpt #: 362 total cpu time spent up to now is 326.8 secs Computing kpt #: 363 total cpu time spent up to now is 327.6 secs Computing kpt #: 364 total cpu time spent up to now is 328.4 secs Computing kpt #: 365 total cpu time spent up to now is 329.8 secs Computing kpt #: 366 total cpu time spent up to now is 330.7 secs Computing kpt #: 367 total cpu time spent up to now is 331.7 secs Computing kpt #: 368 total cpu time spent up to now is 332.5 secs Computing kpt #: 369 total cpu time spent up to now is 333.3 secs Computing kpt #: 370 total cpu time spent up to now is 334.2 secs Computing kpt #: 371 total cpu time spent up to now is 335.0 secs Computing kpt #: 372 total cpu time spent up to now is 336.1 secs Computing kpt #: 373 total cpu time spent up to now is 337.0 secs Computing kpt #: 374 total cpu time spent up to now is 337.8 secs Computing kpt #: 375 total cpu time spent up to now is 338.6 secs Computing kpt #: 376 total cpu time spent up to now is 339.4 secs Computing kpt #: 377 total cpu time spent up to now is 340.1 secs Computing kpt #: 378 total cpu time spent up to now is 340.8 secs Computing kpt #: 379 total cpu time spent up to now is 341.5 secs Computing kpt #: 380 total cpu time spent up to now is 342.6 secs Computing kpt #: 381 total cpu time spent up to now is 343.4 secs Computing kpt #: 382 total cpu time spent up to now is 344.2 secs Computing kpt #: 383 total cpu time spent up to now is 344.9 secs Computing kpt #: 384 total cpu time spent up to now is 345.6 secs Computing kpt #: 385 total cpu time spent up to now is 346.3 secs Computing kpt #: 386 total cpu time spent up to now is 347.0 secs Computing kpt #: 387 total cpu time spent up to now is 347.8 secs Computing kpt #: 388 total cpu time spent up to now is 349.1 secs Computing kpt #: 389 total cpu time spent up to now is 349.8 secs Computing kpt #: 390 total cpu time spent up to now is 350.6 secs Computing kpt #: 391 total cpu time spent up to now is 351.4 secs Computing kpt #: 392 total cpu time spent up to now is 352.3 secs Computing kpt #: 393 total cpu time spent up to now is 353.0 secs Computing kpt #: 394 total cpu time spent up to now is 353.9 secs Computing kpt #: 395 total cpu time spent up to now is 355.0 secs Computing kpt #: 396 total cpu time spent up to now is 355.8 secs Computing kpt #: 397 total cpu time spent up to now is 356.6 secs Computing kpt #: 398 total cpu time spent up to now is 357.5 secs Computing kpt #: 399 total cpu time spent up to now is 358.3 secs Computing kpt #: 400 total cpu time spent up to now is 359.1 secs Computing kpt #: 401 total cpu time spent up to now is 360.0 secs Computing kpt #: 402 total cpu time spent up to now is 361.1 secs Computing kpt #: 403 total cpu time spent up to now is 362.1 secs Computing kpt #: 404 total cpu time spent up to now is 363.0 secs Computing kpt #: 405 total cpu time spent up to now is 363.7 secs Computing kpt #: 406 total cpu time spent up to now is 364.6 secs Computing kpt #: 407 total cpu time spent up to now is 365.5 secs Computing kpt #: 408 total cpu time spent up to now is 366.2 secs Computing kpt #: 409 total cpu time spent up to now is 366.9 secs Computing kpt #: 410 total cpu time spent up to now is 368.2 secs Computing kpt #: 411 total cpu time spent up to now is 369.0 secs Computing kpt #: 412 total cpu time spent up to now is 369.8 secs Computing kpt #: 413 total cpu time spent up to now is 370.4 secs Computing kpt #: 414 total cpu time spent up to now is 371.1 secs Computing kpt #: 415 total cpu time spent up to now is 371.8 secs Computing kpt #: 416 total cpu time spent up to now is 372.5 secs Computing kpt #: 417 total cpu time spent up to now is 373.2 secs Computing kpt #: 418 total cpu time spent up to now is 374.4 secs Computing kpt #: 419 total cpu time spent up to now is 375.0 secs Computing kpt #: 420 total cpu time spent up to now is 375.7 secs Computing kpt #: 421 total cpu time spent up to now is 376.4 secs Computing kpt #: 422 total cpu time spent up to now is 377.0 secs Computing kpt #: 423 total cpu time spent up to now is 377.7 secs Computing kpt #: 424 total cpu time spent up to now is 378.3 secs Computing kpt #: 425 total cpu time spent up to now is 379.0 secs Computing kpt #: 426 total cpu time spent up to now is 379.6 secs Computing kpt #: 427 total cpu time spent up to now is 380.6 secs Computing kpt #: 428 total cpu time spent up to now is 381.2 secs Computing kpt #: 429 total cpu time spent up to now is 382.1 secs Computing kpt #: 430 total cpu time spent up to now is 382.7 secs Computing kpt #: 431 total cpu time spent up to now is 383.3 secs Computing kpt #: 432 total cpu time spent up to now is 384.0 secs Computing kpt #: 433 total cpu time spent up to now is 384.7 secs Computing kpt #: 434 total cpu time spent up to now is 385.3 secs Computing kpt #: 435 total cpu time spent up to now is 386.4 secs Computing kpt #: 436 total cpu time spent up to now is 387.1 secs Computing kpt #: 437 total cpu time spent up to now is 387.8 secs Computing kpt #: 438 total cpu time spent up to now is 388.4 secs Computing kpt #: 439 total cpu time spent up to now is 389.2 secs Computing kpt #: 440 total cpu time spent up to now is 389.8 secs Computing kpt #: 441 total cpu time spent up to now is 390.5 secs Computing kpt #: 442 total cpu time spent up to now is 391.2 secs Computing kpt #: 443 total cpu time spent up to now is 391.9 secs Computing kpt #: 444 total cpu time spent up to now is 393.0 secs Computing kpt #: 445 total cpu time spent up to now is 393.7 secs Computing kpt #: 446 total cpu time spent up to now is 394.4 secs Computing kpt #: 447 total cpu time spent up to now is 395.1 secs Computing kpt #: 448 total cpu time spent up to now is 395.8 secs Computing kpt #: 449 total cpu time spent up to now is 396.6 secs Computing kpt #: 450 total cpu time spent up to now is 397.2 secs Computing kpt #: 451 total cpu time spent up to now is 397.9 secs Computing kpt #: 452 total cpu time spent up to now is 398.7 secs Computing kpt #: 453 total cpu time spent up to now is 399.7 secs Computing kpt #: 454 total cpu time spent up to now is 400.5 secs Computing kpt #: 455 total cpu time spent up to now is 401.1 secs Computing kpt #: 456 total cpu time spent up to now is 401.8 secs Computing kpt #: 457 total cpu time spent up to now is 402.6 secs Computing kpt #: 458 total cpu time spent up to now is 403.4 secs Computing kpt #: 459 total cpu time spent up to now is 404.2 secs ethr = 3.85E-11, avg # of iterations = 23.5 total cpu time spent up to now is 404.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -47.6754 -47.6754 -24.3136 -24.3136 -20.0258 -20.0258 -19.6915 -19.6915 -19.5327 -19.5327 -19.5024 -19.5024 -7.3428 -7.3428 -5.3493 -5.3493 -5.0863 -5.0863 -4.9644 -4.9644 -0.5493 -0.5493 -0.1205 -0.1205 3.1281 3.1281 6.5409 6.5409 7.9344 7.9344 13.4694 13.4694 14.1499 14.1499 k =-0.0056 0.0048 0.0112 ( 3331 PWs) bands (ev): -47.6754 -47.6754 -24.3136 -24.3136 -20.0257 -20.0257 -19.6917 -19.6914 -19.5329 -19.5325 -19.5025 -19.5024 -7.3427 -7.3427 -5.3504 -5.3499 -5.0862 -5.0862 -4.9645 -4.9640 -0.5498 -0.5497 -0.1203 -0.1202 3.1288 3.1289 6.5396 6.5400 7.9357 7.9362 13.4696 13.4696 14.1513 14.1515 k =-0.0112 0.0097 0.0223 ( 3331 PWs) bands (ev): -47.6754 -47.6754 -24.3134 -24.3134 -20.0254 -20.0254 -19.6919 -19.6914 -19.5332 -19.5324 -19.5027 -19.5026 -7.3424 -7.3423 -5.3531 -5.3521 -5.0860 -5.0860 -4.9644 -4.9633 -0.5513 -0.5510 -0.1197 -0.1194 3.1311 3.1312 6.5360 6.5369 7.9403 7.9413 13.4701 13.4701 14.1559 14.1563 k =-0.0168 0.0145 0.0335 ( 3327 PWs) bands (ev): -47.6754 -47.6754 -24.3132 -24.3132 -20.0250 -20.0250 -19.6923 -19.6914 -19.5334 -19.5323 -19.5031 -19.5029 -7.3418 -7.3417 -5.3574 -5.3559 -5.0857 -5.0857 -4.9641 -4.9625 -0.5536 -0.5531 -0.1187 -0.1183 3.1350 3.1351 6.5303 6.5317 7.9481 7.9496 13.4709 13.4710 14.1637 14.1643 k =-0.0224 0.0193 0.0446 ( 3335 PWs) bands (ev): -47.6753 -47.6753 -24.3129 -24.3129 -20.0243 -20.0243 -19.6928 -19.6916 -19.5338 -19.5323 -19.5036 -19.5033 -7.3409 -7.3408 -5.3633 -5.3612 -5.0852 -5.0852 -4.9636 -4.9615 -0.5567 -0.5561 -0.1173 -0.1167 3.1403 3.1405 6.5225 6.5242 7.9590 7.9610 13.4719 13.4720 14.1744 14.1752 k =-0.0279 0.0241 0.0558 ( 3343 PWs) bands (ev): -47.6753 -47.6753 -24.3125 -24.3125 -20.0235 -20.0235 -19.6933 -19.6919 -19.5342 -19.5324 -19.5043 -19.5039 -7.3398 -7.3397 -5.3706 -5.3681 -5.0847 -5.0846 -4.9629 -4.9603 -0.5608 -0.5601 -0.1155 -0.1147 3.1471 3.1473 6.5127 6.5148 7.9731 7.9754 13.4730 13.4731 14.1880 14.1890 k =-0.0335 0.0290 0.0670 ( 3335 PWs) bands (ev): -47.6753 -47.6753 -24.3120 -24.3120 -20.0225 -20.0225 -19.6939 -19.6922 -19.5346 -19.5324 -19.5050 -19.5046 -7.3385 -7.3383 -5.3793 -5.3764 -5.0839 -5.0839 -4.9620 -4.9590 -0.5656 -0.5648 -0.1132 -0.1123 3.1554 3.1557 6.5010 6.5035 7.9901 7.9929 13.4741 13.4742 14.2044 14.2055 k =-0.0391 0.0338 0.0781 ( 3335 PWs) bands (ev): -47.6753 -47.6753 -24.3114 -24.3114 -20.0213 -20.0213 -19.6946 -19.6926 -19.5351 -19.5325 -19.5059 -19.5054 -7.3370 -7.3368 -5.3894 -5.3861 -5.0831 -5.0830 -4.9611 -4.9576 -0.5713 -0.5703 -0.1105 -0.1095 3.1651 3.1653 6.4876 6.4905 8.0100 8.0132 13.4750 13.4751 14.2233 14.2244 k =-0.0447 0.0386 0.0893 ( 3331 PWs) bands (ev): -47.6753 -47.6753 -24.3108 -24.3107 -20.0200 -20.0200 -19.6954 -19.6931 -19.5356 -19.5326 -19.5069 -19.5062 -7.3352 -7.3350 -5.4008 -5.3972 -5.0821 -5.0820 -4.9600 -4.9562 -0.5777 -0.5766 -0.1074 -0.1062 3.1761 3.1764 6.4725 6.4757 8.0327 8.0362 13.4756 13.4756 14.2443 14.2455 k =-0.0503 0.0434 0.1004 ( 3331 PWs) bands (ev): -47.6752 -47.6752 -24.3100 -24.3100 -20.0185 -20.0184 -19.6962 -19.6937 -19.5361 -19.5328 -19.5080 -19.5073 -7.3332 -7.3330 -5.4132 -5.4094 -5.0810 -5.0809 -4.9589 -4.9548 -0.5848 -0.5836 -0.1039 -0.1026 3.1883 3.1887 6.4560 6.4595 8.0582 8.0620 13.4755 13.4756 14.2669 14.2682 k =-0.0559 0.0483 0.1116 ( 3331 PWs) bands (ev): -47.6752 -47.6752 -24.3092 -24.3092 -20.0168 -20.0168 -19.6972 -19.6944 -19.5367 -19.5331 -19.5091 -19.5084 -7.3310 -7.3308 -5.4268 -5.4227 -5.0798 -5.0797 -4.9578 -4.9535 -0.5926 -0.5913 -0.0999 -0.0985 3.2018 3.2022 6.4382 6.4420 8.0862 8.0903 13.4745 13.4748 14.2906 14.2918 k =-0.0615 0.0531 0.1228 ( 3339 PWs) bands (ev): -47.6752 -47.6752 -24.3083 -24.3083 -20.0150 -20.0150 -19.6982 -19.6952 -19.5374 -19.5335 -19.5104 -19.5096 -7.3287 -7.3284 -5.4415 -5.4371 -5.0785 -5.0784 -4.9568 -4.9522 -0.6011 -0.5996 -0.0956 -0.0941 3.2165 3.2169 6.4192 6.4232 8.1168 8.1211 13.4724 13.4729 14.3144 14.3155 k =-0.0671 0.0579 0.1339 ( 3335 PWs) bands (ev): -47.6751 -47.6751 -24.3073 -24.3073 -20.0131 -20.0130 -19.6993 -19.6960 -19.5380 -19.5338 -19.5118 -19.5109 -7.3261 -7.3258 -5.4570 -5.4525 -5.0771 -5.0770 -4.9558 -4.9510 -0.6100 -0.6084 -0.0909 -0.0893 3.2322 3.2326 6.3993 6.4035 8.1497 8.1543 13.4689 13.4696 14.3372 14.3381 k =-0.0727 0.0627 0.1451 ( 3331 PWs) bands (ev): -47.6751 -47.6751 -24.3063 -24.3063 -20.0110 -20.0109 -19.7004 -19.6969 -19.5387 -19.5342 -19.5131 -19.5122 -7.3233 -7.3230 -5.4733 -5.4686 -5.0756 -5.0755 -4.9549 -4.9499 -0.6195 -0.6178 -0.0858 -0.0841 3.2489 3.2493 6.3785 6.3828 8.1850 8.1898 13.4637 13.4647 14.3574 14.3580 k =-0.0782 0.0676 0.1562 ( 3331 PWs) bands (ev): -47.6750 -47.6750 -24.3052 -24.3052 -20.0088 -20.0088 -19.7016 -19.6979 -19.5394 -19.5347 -19.5145 -19.5136 -7.3205 -7.3201 -5.4904 -5.4856 -5.0740 -5.0739 -4.9541 -4.9490 -0.6295 -0.6277 -0.0803 -0.0785 3.2666 3.2670 6.3570 6.3615 8.2225 8.2275 13.4564 13.4576 14.3733 14.3733 k =-0.0838 0.0724 0.1674 ( 3335 PWs) bands (ev): -47.6750 -47.6750 -24.3040 -24.3040 -20.0065 -20.0065 -19.7029 -19.6990 -19.5403 -19.5354 -19.5160 -19.5151 -7.3174 -7.3170 -5.5081 -5.5032 -5.0724 -5.0722 -4.9534 -4.9483 -0.6398 -0.6380 -0.0745 -0.0726 3.2850 3.2854 6.3349 6.3396 8.2622 8.2672 13.4465 13.4481 14.3819 14.3825 k =-0.0894 0.0772 0.1786 ( 3331 PWs) bands (ev): -47.6750 -47.6750 -24.3028 -24.3028 -20.0041 -20.0041 -19.7043 -19.7001 -19.5411 -19.5360 -19.5174 -19.5165 -7.3142 -7.3138 -5.5263 -5.5213 -5.0706 -5.0705 -4.9529 -4.9477 -0.6505 -0.6487 -0.0683 -0.0663 3.3042 3.3046 6.3125 6.3173 8.3039 8.3090 13.4338 13.4357 14.3818 14.3833 k =-0.0950 0.0820 0.1897 ( 3333 PWs) bands (ev): -47.6749 -47.6749 -24.3016 -24.3015 -20.0017 -20.0016 -19.7057 -19.7014 -19.5420 -19.5368 -19.5188 -19.5180 -7.3109 -7.3105 -5.5450 -5.5400 -5.0689 -5.0687 -4.9526 -4.9473 -0.6615 -0.6596 -0.0617 -0.0596 3.3241 3.3244 6.2898 6.2946 8.3476 8.3528 13.4177 13.4199 14.3717 14.3741 k =-0.1006 0.0869 0.2009 ( 3333 PWs) bands (ev): -47.6749 -47.6749 -24.3002 -24.3002 -19.9992 -19.9991 -19.7072 -19.7027 -19.5430 -19.5377 -19.5202 -19.5195 -7.3075 -7.3071 -5.5640 -5.5590 -5.0670 -5.0669 -4.9525 -4.9471 -0.6727 -0.6707 -0.0548 -0.0527 3.3445 3.3448 6.2669 6.2719 8.3932 8.3985 13.3978 13.4004 14.3514 14.3548 k =-0.1062 0.0917 0.2120 ( 3335 PWs) bands (ev): -47.6748 -47.6748 -24.2989 -24.2988 -19.9966 -19.9966 -19.7087 -19.7040 -19.5440 -19.5387 -19.5215 -19.5210 -7.3041 -7.3036 -5.5834 -5.5783 -5.0652 -5.0650 -4.9526 -4.9472 -0.6841 -0.6820 -0.0475 -0.0454 3.3654 3.3657 6.2440 6.2490 8.4407 8.4459 13.3738 13.3767 14.3222 14.3266 k =-0.1118 0.0965 0.2232 ( 3335 PWs) bands (ev): -47.6748 -47.6748 -24.2975 -24.2974 -19.9941 -19.9940 -19.7102 -19.7054 -19.5450 -19.5398 -19.5227 -19.5224 -7.3005 -7.3001 -5.6029 -5.5978 -5.0632 -5.0631 -4.9529 -4.9475 -0.6955 -0.6934 -0.0400 -0.0377 3.3866 3.3869 6.2212 6.2263 8.4899 8.4952 13.3453 13.3485 14.2861 14.2914 k =-0.1174 0.1013 0.2343 ( 3341 PWs) bands (ev): -47.6747 -47.6747 -24.2960 -24.2960 -19.9915 -19.9915 -19.7118 -19.7068 -19.5462 -19.5411 -19.5238 -19.5238 -7.2969 -7.2964 -5.6225 -5.6174 -5.0613 -5.0612 -4.9534 -4.9480 -0.7069 -0.7048 -0.0321 -0.0298 3.4082 3.4084 6.1987 6.2038 8.5408 8.5461 13.3120 13.3156 14.2454 14.2514 k =-0.1230 0.1062 0.2455 ( 3339 PWs) bands (ev): -47.6747 -47.6747 -24.2946 -24.2945 -19.9890 -19.9889 -19.7134 -19.7083 -19.5473 -19.5424 -19.5251 -19.5248 -7.2932 -7.2928 -5.6422 -5.6371 -5.0594 -5.0592 -4.9542 -4.9488 -0.7183 -0.7161 -0.0239 -0.0216 3.4300 3.4301 6.1765 6.1817 8.5934 8.5986 13.2741 13.2778 14.2021 14.2087 k =-0.1286 0.1110 0.2567 ( 3337 PWs) bands (ev): -47.6746 -47.6746 -24.2931 -24.2930 -19.9865 -19.9864 -19.7150 -19.7098 -19.5485 -19.5437 -19.5263 -19.5258 -7.2895 -7.2891 -5.6617 -5.6567 -5.0575 -5.0572 -4.9552 -4.9498 -0.7295 -0.7272 -0.0154 -0.0131 3.4518 3.4519 6.1548 6.1600 8.6475 8.6527 13.2314 13.2353 14.1576 14.1646 k =-0.1341 0.1158 0.2678 ( 3341 PWs) bands (ev): -47.6746 -47.6746 -24.2916 -24.2915 -19.9841 -19.9840 -19.7166 -19.7113 -19.5498 -19.5452 -19.5275 -19.5266 -7.2859 -7.2854 -5.6812 -5.6762 -5.0555 -5.0553 -4.9564 -4.9511 -0.7406 -0.7382 -0.0067 -0.0043 3.4738 3.4738 6.1336 6.1388 8.7031 8.7083 13.1844 13.1884 14.1129 14.1201 k =-0.1397 0.1206 0.2790 ( 3341 PWs) bands (ev): -47.6745 -47.6745 -24.2901 -24.2900 -19.9817 -19.9817 -19.7182 -19.7128 -19.5510 -19.5467 -19.5286 -19.5274 -7.2822 -7.2817 -5.7005 -5.6955 -5.0536 -5.0534 -4.9579 -4.9527 -0.7513 -0.7490 0.0023 0.0048 3.4956 3.4957 6.1130 6.1183 8.7602 8.7653 13.1334 13.1374 14.0682 14.0756 k =-0.1453 0.1255 0.2901 ( 3341 PWs) bands (ev): -47.6744 -47.6744 -24.2886 -24.2885 -19.9795 -19.9795 -19.7198 -19.7143 -19.5523 -19.5482 -19.5295 -19.5280 -7.2785 -7.2780 -5.7195 -5.7145 -5.0517 -5.0514 -4.9597 -4.9545 -0.7618 -0.7594 0.0116 0.0141 3.5174 3.5175 6.0932 6.0985 8.8186 8.8236 13.0790 13.0829 14.0238 14.0311 k =-0.1509 0.1303 0.3013 ( 3351 PWs) bands (ev): -47.6744 -47.6744 -24.2871 -24.2870 -19.9774 -19.9774 -19.7214 -19.7158 -19.5536 -19.5498 -19.5305 -19.5286 -7.2749 -7.2744 -5.7381 -5.7332 -5.0498 -5.0496 -4.9617 -4.9566 -0.7719 -0.7695 0.0211 0.0236 3.5389 3.5391 6.0742 6.0795 8.8783 8.8832 13.0217 13.0255 13.9792 13.9864 k =-0.1565 0.1351 0.3125 ( 3351 PWs) bands (ev): -47.6744 -47.6744 -24.2856 -24.2855 -19.9755 -19.9755 -19.7229 -19.7172 -19.5549 -19.5512 -19.5313 -19.5292 -7.2713 -7.2708 -5.7563 -5.7514 -5.0480 -5.0478 -4.9640 -4.9589 -0.7816 -0.7791 0.0309 0.0334 3.5602 3.5605 6.0562 6.0615 8.9393 8.9441 12.9623 12.9659 13.9342 13.9412 k =-0.1621 0.1399 0.3236 ( 3347 PWs) bands (ev): -47.6743 -47.6743 -24.2841 -24.2840 -19.9738 -19.9738 -19.7243 -19.7185 -19.5561 -19.5526 -19.5320 -19.5296 -7.2679 -7.2673 -5.7739 -5.7691 -5.0463 -5.0460 -4.9666 -4.9615 -0.7907 -0.7882 0.0408 0.0434 3.5811 3.5816 6.0392 6.0445 9.0014 9.0061 12.9013 12.9047 13.8884 13.8951 k =-0.1677 0.1448 0.3348 ( 3343 PWs) bands (ev): -47.6742 -47.6742 -24.2826 -24.2825 -19.9723 -19.9723 -19.7256 -19.7198 -19.5572 -19.5539 -19.5326 -19.5300 -7.2644 -7.2639 -5.7911 -5.7863 -5.0446 -5.0442 -4.9694 -4.9644 -0.7993 -0.7967 0.0510 0.0536 3.6017 3.6023 6.0232 6.0285 9.0645 9.0691 12.8392 12.8425 13.8414 13.8477 k =-0.1733 0.1496 0.3459 ( 3343 PWs) bands (ev): -47.6742 -47.6742 -24.2811 -24.2810 -19.9711 -19.9710 -19.7269 -19.7210 -19.5583 -19.5551 -19.5332 -19.5304 -7.2612 -7.2606 -5.8076 -5.8029 -5.0429 -5.0426 -4.9725 -4.9676 -0.8073 -0.8046 0.0613 0.0639 3.6219 3.6225 6.0084 6.0137 9.1287 9.1331 12.7767 12.7797 13.7927 13.7986 k =-0.1789 0.1544 0.3571 ( 3349 PWs) bands (ev): -47.6742 -47.6742 -24.2796 -24.2795 -19.9701 -19.9701 -19.7280 -19.7221 -19.5594 -19.5563 -19.5337 -19.5308 -7.2580 -7.2575 -5.8234 -5.8188 -5.0414 -5.0410 -4.9759 -4.9711 -0.8146 -0.8119 0.0718 0.0745 3.6416 3.6423 5.9948 6.0000 9.1937 9.1980 12.7141 12.7169 13.7422 13.7477 k =-0.1844 0.1593 0.3683 ( 3349 PWs) bands (ev): -47.6741 -47.6741 -24.2782 -24.2781 -19.9694 -19.9694 -19.7290 -19.7230 -19.5603 -19.5573 -19.5341 -19.5310 -7.2550 -7.2544 -5.8385 -5.8340 -5.0399 -5.0395 -4.9795 -4.9748 -0.8213 -0.8186 0.0825 0.0852 3.6607 3.6616 5.9824 5.9876 9.2595 9.2636 12.6519 12.6544 13.6896 13.6947 k =-0.1900 0.1641 0.3794 ( 3349 PWs) bands (ev): -47.6741 -47.6741 -24.2768 -24.2767 -19.9691 -19.9691 -19.7299 -19.7238 -19.5611 -19.5582 -19.5344 -19.5313 -7.2521 -7.2516 -5.8528 -5.8483 -5.0385 -5.0381 -4.9834 -4.9788 -0.8272 -0.8244 0.0932 0.0960 3.6793 3.6803 5.9713 5.9766 9.3259 9.3299 12.5903 12.5926 13.6348 13.6396 k =-0.1956 0.1689 0.3906 ( 3349 PWs) bands (ev): -47.6740 -47.6740 -24.2754 -24.2753 -19.9691 -19.9691 -19.7306 -19.7245 -19.5618 -19.5589 -19.5346 -19.5315 -7.2494 -7.2489 -5.8663 -5.8619 -5.0373 -5.0368 -4.9876 -4.9830 -0.8323 -0.8295 0.1042 0.1069 3.6973 3.6984 5.9617 5.9669 9.3930 9.3968 12.5297 12.5318 13.5779 13.5822 k =-0.2012 0.1737 0.4017 ( 3349 PWs) bands (ev): -47.6740 -47.6740 -24.2741 -24.2740 -19.9695 -19.9695 -19.7311 -19.7250 -19.5624 -19.5594 -19.5348 -19.5316 -7.2469 -7.2464 -5.8790 -5.8746 -5.0361 -5.0356 -4.9920 -4.9875 -0.8365 -0.8337 0.1152 0.1180 3.7146 3.7158 5.9534 5.9586 9.4605 9.4641 12.4703 12.4721 13.5187 13.5227 k =-0.2068 0.1786 0.4129 ( 3341 PWs) bands (ev): -47.6740 -47.6740 -24.2728 -24.2727 -19.9703 -19.9703 -19.7315 -19.7253 -19.5628 -19.5598 -19.5348 -19.5317 -7.2446 -7.2441 -5.8906 -5.8863 -5.0351 -5.0345 -4.9966 -4.9922 -0.8399 -0.8370 0.1263 0.1291 3.7312 3.7326 5.9466 5.9518 9.5283 9.5318 12.4122 12.4139 13.4575 13.4611 k =-0.2124 0.1834 0.4241 ( 3337 PWs) bands (ev): -47.6739 -47.6739 -24.2716 -24.2715 -19.9714 -19.9714 -19.7316 -19.7254 -19.5631 -19.5600 -19.5348 -19.5317 -7.2425 -7.2420 -5.9013 -5.8971 -5.0341 -5.0336 -5.0014 -4.9972 -0.8425 -0.8396 0.1375 0.1403 3.7472 3.7487 5.9413 5.9464 9.5964 9.5996 12.3558 12.3572 13.3943 13.3975 k =-0.2180 0.1882 0.4352 ( 3333 PWs) bands (ev): -47.6739 -47.6739 -24.2704 -24.2703 -19.9730 -19.9730 -19.7316 -19.7254 -19.5633 -19.5601 -19.5347 -19.5317 -7.2406 -7.2402 -5.9110 -5.9069 -5.0334 -5.0328 -5.0065 -5.0024 -0.8441 -0.8412 0.1488 0.1516 3.7625 3.7641 5.9374 5.9426 9.6644 9.6675 12.3010 12.3022 13.3292 13.3321 k =-0.2236 0.1930 0.4464 ( 3331 PWs) bands (ev): -47.6739 -47.6739 -24.2693 -24.2691 -19.9749 -19.9749 -19.7315 -19.7251 -19.5633 -19.5599 -19.5345 -19.5316 -7.2390 -7.2386 -5.9197 -5.9156 -5.0329 -5.0321 -5.0118 -5.0079 -0.8448 -0.8418 0.1601 0.1629 3.7770 3.7787 5.9351 5.9403 9.7324 9.7353 12.2480 12.2490 13.2625 13.2651 k =-0.2292 0.1979 0.4575 ( 3337 PWs) bands (ev): -47.6738 -47.6738 -24.2682 -24.2681 -19.9772 -19.9772 -19.7312 -19.7248 -19.5632 -19.5597 -19.5343 -19.5315 -7.2377 -7.2373 -5.9273 -5.9233 -5.0327 -5.0317 -5.0171 -5.0134 -0.8446 -0.8416 0.1714 0.1743 3.7907 3.7926 5.9344 5.9395 9.8000 9.8027 12.1968 12.1976 13.1943 13.1966 k =-0.2347 0.2027 0.4687 ( 3339 PWs) bands (ev): -47.6738 -47.6738 -24.2672 -24.2670 -19.9799 -19.9799 -19.7307 -19.7243 -19.5630 -19.5592 -19.5339 -19.5313 -7.2366 -7.2362 -5.9338 -5.9299 -5.0330 -5.0316 -5.0221 -5.0190 -0.8434 -0.8403 0.1827 0.1856 3.8037 3.8057 5.9351 5.9402 9.8672 9.8697 12.1476 12.1482 13.1248 13.1268 k =-0.2403 0.2075 0.4799 ( 3339 PWs) bands (ev): -47.6738 -47.6738 -24.2662 -24.2661 -19.9830 -19.9830 -19.7300 -19.7236 -19.5627 -19.5586 -19.5334 -19.5311 -7.2358 -7.2355 -5.9392 -5.9354 -5.0349 -5.0324 -5.0260 -5.0241 -0.8413 -0.8381 0.1940 0.1970 3.8159 3.8180 5.9375 5.9425 9.9337 9.9359 12.1004 12.1007 13.0542 13.0559 k =-0.2459 0.2123 0.4910 ( 3339 PWs) bands (ev): -47.6738 -47.6738 -24.2653 -24.2652 -19.9864 -19.9864 -19.7292 -19.7228 -19.5622 -19.5579 -19.5328 -19.5307 -7.2353 -7.2350 -5.9435 -5.9398 -5.0391 -5.0355 -5.0279 -5.0271 -0.8381 -0.8350 0.2053 0.2083 3.8274 3.8296 5.9414 5.9464 9.9993 10.0013 12.0551 12.0552 12.9826 12.9840 k =-0.2515 0.2172 0.5022 ( 3335 PWs) bands (ev): -47.6738 -47.6738 -24.2644 -24.2643 -19.9901 -19.9901 -19.7283 -19.7218 -19.5616 -19.5570 -19.5320 -19.5302 -7.2351 -7.2348 -5.9466 -5.9429 -5.0448 -5.0410 -5.0286 -5.0282 -0.8341 -0.8309 0.2166 0.2196 3.8381 3.8404 5.9468 5.9518 10.0637 10.0655 12.0117 12.0119 12.9101 12.9113 k =-0.2571 0.2220 0.5133 ( 3335 PWs) bands (ev): -47.6738 -47.6738 -24.2637 -24.2636 -19.9942 -19.9942 -19.7272 -19.7208 -19.5610 -19.5560 -19.5311 -19.5297 -7.2353 -7.2350 -5.9485 -5.9450 -5.0513 -5.0474 -5.0289 -5.0286 -0.8290 -0.8258 0.2278 0.2308 3.8480 3.8504 5.9539 5.9588 10.1268 10.1283 11.9702 11.9706 12.8371 12.8380 k =-0.2627 0.2268 0.5245 ( 3343 PWs) bands (ev): -47.6738 -47.6738 -24.2630 -24.2629 -19.9986 -19.9986 -19.7261 -19.7196 -19.5603 -19.5550 -19.5301 -19.5290 -7.2357 -7.2355 -5.9493 -5.9459 -5.0580 -5.0543 -5.0292 -5.0289 -0.8230 -0.8198 0.2389 0.2419 3.8571 3.8596 5.9624 5.9673 10.1881 10.1894 11.9307 11.9313 12.7635 12.7641 k =-0.2683 0.2316 0.5357 ( 3337 PWs) bands (ev): -47.6738 -47.6738 -24.2623 -24.2622 -20.0032 -20.0032 -19.7248 -19.7184 -19.5595 -19.5538 -19.5288 -19.5281 -7.2365 -7.2363 -5.9489 -5.9456 -5.0650 -5.0614 -5.0296 -5.0292 -0.8160 -0.8127 0.2500 0.2530 3.8655 3.8681 5.9725 5.9773 10.2475 10.2485 11.8930 11.8938 12.6895 12.6899 k =-0.2739 0.2365 0.5468 ( 3345 PWs) bands (ev): -47.6738 -47.6738 -24.2618 -24.2617 -20.0081 -20.0081 -19.7236 -19.7171 -19.5588 -19.5527 -19.5275 -19.5271 -7.2376 -7.2374 -5.9474 -5.9442 -5.0722 -5.0687 -5.0300 -5.0296 -0.8081 -0.8048 0.2610 0.2640 3.8731 3.8757 5.9840 5.9888 10.3047 10.3054 11.8571 11.8582 12.6152 12.6154 k =-0.2795 0.2413 0.5580 ( 3349 PWs) bands (ev): -47.6738 -47.6738 -24.2613 -24.2612 -20.0132 -20.0132 -19.7222 -19.7158 -19.5580 -19.5516 -19.5259 -19.5258 -7.2390 -7.2389 -5.9448 -5.9416 -5.0796 -5.0762 -5.0304 -5.0300 -0.7993 -0.7960 0.2718 0.2748 3.8800 3.8827 5.9969 6.0016 10.3593 10.3597 11.8230 11.8243 12.5409 12.5409 k =-0.2851 0.2461 0.5691 ( 3349 PWs) bands (ev): -47.6738 -47.6738 -24.2608 -24.2607 -20.0185 -20.0185 -19.7208 -19.7143 -19.5572 -19.5506 -19.5244 -19.5241 -7.2407 -7.2406 -5.9410 -5.9379 -5.0872 -5.0838 -5.0310 -5.0306 -0.7897 -0.7863 0.2825 0.2856 3.8862 3.8889 6.0113 6.0159 10.4110 10.4111 11.7903 11.7920 12.4663 12.4666 k =-0.2906 0.2509 0.5803 ( 3347 PWs) bands (ev): -47.6738 -47.6738 -24.2604 -24.2603 -20.0239 -20.0239 -19.7193 -19.7129 -19.5564 -19.5495 -19.5227 -19.5221 -7.2428 -7.2427 -5.9360 -5.9331 -5.0948 -5.0916 -5.0316 -5.0312 -0.7791 -0.7758 0.2931 0.2962 3.8917 3.8945 6.0270 6.0316 10.4594 10.4595 11.7591 11.7611 12.3918 12.3924 k =-0.2962 0.2558 0.5915 ( 3351 PWs) bands (ev): -47.6739 -47.6739 -24.2601 -24.2600 -20.0295 -20.0295 -19.7178 -19.7114 -19.5556 -19.5486 -19.5208 -19.5200 -7.2451 -7.2451 -5.9300 -5.9272 -5.1026 -5.0995 -5.0324 -5.0319 -0.7678 -0.7644 0.3036 0.3066 3.8964 3.8993 6.0441 6.0486 10.5041 10.5046 11.7289 11.7312 12.3177 12.3185 k =-0.3018 0.2606 0.6026 ( 3355 PWs) bands (ev): -47.6739 -47.6739 -24.2599 -24.2598 -20.0353 -20.0353 -19.7163 -19.7100 -19.5549 -19.5477 -19.5186 -19.5177 -7.2478 -7.2478 -5.9229 -5.9202 -5.1105 -5.1075 -5.0332 -5.0327 -0.7557 -0.7523 0.3138 0.3169 3.9005 3.9034 6.0625 6.0669 10.5452 10.5459 11.6995 11.7022 12.2440 12.2452 k =-0.3074 0.2654 0.6138 ( 3347 PWs) bands (ev): -47.6739 -47.6739 -24.2597 -24.2596 -20.0411 -20.0411 -19.7148 -19.7085 -19.5541 -19.5468 -19.5163 -19.5152 -7.2508 -7.2507 -5.9148 -5.9122 -5.1184 -5.1155 -5.0341 -5.0336 -0.7427 -0.7393 0.3239 0.3270 3.9040 3.9069 6.0821 6.0864 10.5823 10.5833 11.6705 11.6736 12.1711 12.1726 k =-0.3130 0.2702 0.6249 ( 3351 PWs) bands (ev): -47.6739 -47.6739 -24.2595 -24.2594 -20.0470 -20.0470 -19.7133 -19.7070 -19.5534 -19.5461 -19.5137 -19.5126 -7.2541 -7.2540 -5.9058 -5.9033 -5.1265 -5.1236 -5.0350 -5.0345 -0.7292 -0.7258 0.3338 0.3368 3.9068 3.9097 6.1028 6.1071 10.6153 10.6165 11.6414 11.6449 12.0992 12.1010 k =-0.3186 0.2751 0.6361 ( 3347 PWs) bands (ev): -47.6739 -47.6739 -24.2595 -24.2594 -20.0529 -20.0529 -19.7117 -19.7055 -19.5527 -19.5454 -19.5110 -19.5099 -7.2576 -7.2574 -5.8957 -5.8933 -5.1345 -5.1318 -5.0361 -5.0356 -0.7150 -0.7115 0.3435 0.3465 3.9090 3.9120 6.1247 6.1289 10.6440 10.6455 11.6117 11.6156 12.0286 12.0309 k =-0.3242 0.2799 0.6472 ( 3351 PWs) bands (ev): -47.6740 -47.6740 -24.2594 -24.2593 -20.0589 -20.0589 -19.7102 -19.7041 -19.5520 -19.5448 -19.5082 -19.5070 -7.2614 -7.2612 -5.8848 -5.8825 -5.1426 -5.1400 -5.0371 -5.0366 -0.7001 -0.6967 0.3529 0.3560 3.9107 3.9136 6.1476 6.1517 10.6683 10.6700 11.5807 11.5850 11.9599 11.9627 k =-0.3298 0.2847 0.6584 ( 3343 PWs) bands (ev): -47.6740 -47.6740 -24.2595 -24.2594 -20.0649 -20.0649 -19.7086 -19.7026 -19.5514 -19.5443 -19.5052 -19.5040 -7.2653 -7.2651 -5.8731 -5.8709 -5.1507 -5.1481 -5.0383 -5.0378 -0.6847 -0.6813 0.3622 0.3653 3.9117 3.9147 6.1716 6.1755 10.6883 10.6902 11.5476 11.5524 11.8938 11.8970 k =-0.3354 0.2895 0.6696 ( 3343 PWs) bands (ev): -47.6740 -47.6740 -24.2595 -24.2594 -20.0709 -20.0709 -19.7071 -19.7012 -19.5507 -19.5437 -19.5022 -19.5010 -7.2695 -7.2693 -5.8606 -5.8585 -5.1587 -5.1563 -5.0395 -5.0390 -0.6689 -0.6654 0.3712 0.3743 3.9123 3.9152 6.1964 6.2002 10.7039 10.7060 11.5117 11.5169 11.8308 11.8344 k =-0.3409 0.2944 0.6807 ( 3341 PWs) bands (ev): -47.6741 -47.6741 -24.2597 -24.2596 -20.0768 -20.0768 -19.7056 -19.6999 -19.5501 -19.5433 -19.4991 -19.4979 -7.2739 -7.2736 -5.8474 -5.8454 -5.1668 -5.1644 -5.0407 -5.0402 -0.6525 -0.6491 0.3800 0.3830 3.9123 3.9152 6.2220 6.2257 10.7151 10.7173 11.4724 11.4779 11.7718 11.7757 k =-0.3465 0.2992 0.6919 ( 3341 PWs) bands (ev): -47.6741 -47.6741 -24.2598 -24.2597 -20.0827 -20.0827 -19.7042 -19.6985 -19.5496 -19.5429 -19.4959 -19.4947 -7.2784 -7.2781 -5.8336 -5.8317 -5.1747 -5.1725 -5.0419 -5.0414 -0.6358 -0.6324 0.3885 0.3915 3.9118 3.9147 6.2483 6.2519 10.7219 10.7243 11.4292 11.4349 11.7172 11.7213 k =-0.3521 0.3040 0.7030 ( 3345 PWs) bands (ev): -47.6741 -47.6741 -24.2600 -24.2599 -20.0886 -20.0886 -19.7028 -19.6972 -19.5490 -19.5425 -19.4927 -19.4916 -7.2830 -7.2827 -5.8192 -5.8174 -5.1827 -5.1805 -5.0432 -5.0427 -0.6188 -0.6154 0.3967 0.3997 3.9109 3.9137 6.2753 6.2788 10.7244 10.7269 11.3823 11.3879 11.6673 11.6715 k =-0.3521 0.3040 0.7030 ( 3345 PWs) bands (ev): -47.6741 -47.6741 -24.2600 -24.2599 -20.0886 -20.0886 -19.7028 -19.6972 -19.5490 -19.5425 -19.4927 -19.4916 -7.2830 -7.2827 -5.8192 -5.8174 -5.1827 -5.1805 -5.0432 -5.0427 -0.6188 -0.6154 0.3967 0.3997 3.9109 3.9137 6.2753 6.2788 10.7244 10.7269 11.3823 11.3879 11.6673 11.6715 k =-0.3437 0.2968 0.7104 ( 3346 PWs) bands (ev): -47.6741 -47.6741 -24.2600 -24.2599 -20.0888 -20.0885 -19.7028 -19.6972 -19.5490 -19.5424 -19.4928 -19.4915 -7.2825 -7.2822 -5.8191 -5.8173 -5.1824 -5.1803 -5.0439 -5.0433 -0.6192 -0.6159 0.3958 0.3987 3.9111 3.9139 6.2757 6.2792 10.7239 10.7264 11.3835 11.3892 11.6664 11.6705 k =-0.3354 0.2896 0.7177 ( 3338 PWs) bands (ev): -47.6741 -47.6741 -24.2601 -24.2600 -20.0890 -20.0885 -19.7027 -19.6970 -19.5489 -19.5423 -19.4930 -19.4913 -7.2808 -7.2805 -5.8188 -5.8171 -5.1817 -5.1795 -5.0457 -5.0449 -0.6205 -0.6171 0.3929 0.3959 3.9118 3.9147 6.2771 6.2805 10.7223 10.7247 11.3873 11.3930 11.6636 11.6676 k =-0.3354 0.2896 0.7177 ( 3338 PWs) bands (ev): -47.6741 -47.6741 -24.2601 -24.2600 -20.0890 -20.0885 -19.7027 -19.6970 -19.5489 -19.5423 -19.4930 -19.4913 -7.2808 -7.2805 -5.8188 -5.8171 -5.1817 -5.1795 -5.0457 -5.0449 -0.6205 -0.6171 0.3929 0.3959 3.9118 3.9147 6.2771 6.2805 10.7223 10.7247 11.3873 11.3930 11.6636 11.6676 k =-0.3252 0.2808 0.7177 ( 3344 PWs) bands (ev): -47.6741 -47.6741 -24.2600 -24.2599 -20.0861 -20.0854 -19.7035 -19.6975 -19.5492 -19.5424 -19.4950 -19.4928 -7.2760 -7.2757 -5.8265 -5.8247 -5.1764 -5.1741 -5.0474 -5.0464 -0.6317 -0.6283 0.3845 0.3875 3.9134 3.9163 6.2639 6.2674 10.7199 10.7223 11.4185 11.4243 11.6872 11.6912 k =-0.3150 0.2720 0.7177 ( 3340 PWs) bands (ev): -47.6741 -47.6741 -24.2599 -24.2598 -20.0833 -20.0824 -19.7042 -19.6980 -19.5494 -19.5425 -19.4969 -19.4941 -7.2705 -7.2703 -5.8340 -5.8321 -5.1707 -5.1684 -5.0499 -5.0486 -0.6436 -0.6401 0.3748 0.3779 3.9152 3.9181 6.2516 6.2552 10.7163 10.7187 11.4501 11.4558 11.7114 11.7152 k =-0.3049 0.2632 0.7177 ( 3338 PWs) bands (ev): -47.6741 -47.6741 -24.2599 -24.2598 -20.0808 -20.0797 -19.7049 -19.6983 -19.5495 -19.5425 -19.4987 -19.4955 -7.2644 -7.2641 -5.8411 -5.8392 -5.1648 -5.1623 -5.0531 -5.0515 -0.6559 -0.6524 0.3640 0.3671 3.9172 3.9202 6.2403 6.2439 10.7118 10.7141 11.4815 11.4872 11.7363 11.7399 k =-0.2947 0.2545 0.7177 ( 3340 PWs) bands (ev): -47.6741 -47.6741 -24.2598 -24.2597 -20.0784 -20.0772 -19.7054 -19.6986 -19.5497 -19.5425 -19.5004 -19.4967 -7.2576 -7.2573 -5.8480 -5.8461 -5.1588 -5.1561 -5.0570 -5.0550 -0.6687 -0.6652 0.3521 0.3553 3.9195 3.9226 6.2299 6.2335 10.7066 10.7088 11.5127 11.5182 11.7619 11.7651 k =-0.2845 0.2457 0.7177 ( 3335 PWs) bands (ev): -47.6740 -47.6740 -24.2598 -24.2597 -20.0763 -20.0749 -19.7059 -19.6987 -19.5497 -19.5423 -19.5020 -19.4977 -7.2502 -7.2500 -5.8547 -5.8527 -5.1526 -5.1497 -5.0614 -5.0590 -0.6820 -0.6785 0.3391 0.3424 3.9220 3.9252 6.2205 6.2241 10.7010 10.7031 11.5434 11.5487 11.7879 11.7907 k =-0.2744 0.2369 0.7177 ( 3341 PWs) bands (ev): -47.6740 -47.6740 -24.2597 -24.2596 -20.0745 -20.0730 -19.7063 -19.6988 -19.5498 -19.5422 -19.5035 -19.4987 -7.2423 -7.2421 -5.8611 -5.8592 -5.1465 -5.1432 -5.0663 -5.0633 -0.6958 -0.6922 0.3253 0.3286 3.9248 3.9280 6.2121 6.2157 10.6951 10.6972 11.5735 11.5786 11.8138 11.8163 k =-0.2642 0.2281 0.7177 ( 3335 PWs) bands (ev): -47.6740 -47.6740 -24.2597 -24.2596 -20.0730 -20.0714 -19.7065 -19.6987 -19.5497 -19.5419 -19.5047 -19.4995 -7.2338 -7.2336 -5.8673 -5.8653 -5.1406 -5.1367 -5.0715 -5.0678 -0.7099 -0.7063 0.3107 0.3141 3.9278 3.9310 6.2046 6.2083 10.6891 10.6911 11.6030 11.6079 11.8392 11.8414 k =-0.2541 0.2194 0.7177 ( 3336 PWs) bands (ev): -47.6740 -47.6740 -24.2597 -24.2596 -20.0719 -20.0703 -19.7065 -19.6985 -19.5495 -19.5416 -19.5059 -19.5002 -7.2249 -7.2248 -5.8733 -5.8713 -5.1351 -5.1304 -5.0769 -5.0721 -0.7244 -0.7208 0.2954 0.2988 3.9311 3.9343 6.1982 6.2018 10.6832 10.6850 11.6321 11.6367 11.8634 11.8654 k =-0.2439 0.2106 0.7177 ( 3336 PWs) bands (ev): -47.6740 -47.6740 -24.2596 -24.2595 -20.0712 -20.0695 -19.7065 -19.6982 -19.5492 -19.5413 -19.5068 -19.5007 -7.2156 -7.2154 -5.8791 -5.8771 -5.1306 -5.1247 -5.0820 -5.0759 -0.7392 -0.7355 0.2796 0.2830 3.9344 3.9377 6.1927 6.1963 10.6773 10.6791 11.6608 11.6652 11.8858 11.8877 k =-0.2337 0.2018 0.7177 ( 3337 PWs) bands (ev): -47.6740 -47.6740 -24.2596 -24.2595 -20.0709 -20.0690 -19.7063 -19.6977 -19.5489 -19.5409 -19.5075 -19.5010 -7.2058 -7.2058 -5.8847 -5.8826 -5.1275 -5.1203 -5.0861 -5.0785 -0.7541 -0.7505 0.2633 0.2667 3.9380 3.9412 6.1881 6.1916 10.6717 10.6733 11.6892 11.6934 11.9058 11.9079 k =-0.2236 0.1930 0.7177 ( 3339 PWs) bands (ev): -47.6739 -47.6739 -24.2596 -24.2595 -20.0709 -20.0690 -19.7060 -19.6972 -19.5485 -19.5405 -19.5080 -19.5012 -7.1958 -7.1957 -5.8901 -5.8881 -5.1266 -5.1186 -5.0878 -5.0792 -0.7693 -0.7656 0.2467 0.2501 3.9417 3.9449 6.1844 6.1879 10.6663 10.6678 11.7173 11.7214 11.9232 11.9254 k =-0.2134 0.1843 0.7177 ( 3337 PWs) bands (ev): -47.6739 -47.6739 -24.2595 -24.2594 -20.0712 -20.0693 -19.7055 -19.6966 -19.5480 -19.5400 -19.5083 -19.5012 -7.1855 -7.1855 -5.8953 -5.8933 -5.1281 -5.1203 -5.0861 -5.0776 -0.7845 -0.7808 0.2298 0.2332 3.9454 3.9486 6.1816 6.1851 10.6612 10.6627 11.7452 11.7493 11.9377 11.9401 k =-0.2032 0.1755 0.7177 ( 3327 PWs) bands (ev): -47.6739 -47.6739 -24.2595 -24.2594 -20.0719 -20.0700 -19.7048 -19.6959 -19.5474 -19.5395 -19.5083 -19.5009 -7.1750 -7.1750 -5.9004 -5.8985 -5.1317 -5.1248 -5.0819 -5.0743 -0.7996 -0.7960 0.2128 0.2162 3.9493 3.9524 6.1796 6.1831 10.6564 10.6578 11.7727 11.7768 11.9495 11.9520 k =-0.1931 0.1667 0.7177 ( 3326 PWs) bands (ev): -47.6739 -47.6739 -24.2594 -24.2594 -20.0729 -20.0710 -19.7041 -19.6952 -19.5467 -19.5390 -19.5081 -19.5006 -7.1643 -7.1643 -5.9054 -5.9035 -5.1367 -5.1308 -5.0763 -5.0696 -0.8147 -0.8111 0.1957 0.1992 3.9532 3.9563 6.1784 6.1818 10.6519 10.6533 11.7995 11.8037 11.9590 11.9615 k =-0.1829 0.1579 0.7177 ( 3323 PWs) bands (ev): -47.6739 -47.6739 -24.2594 -24.2593 -20.0742 -20.0723 -19.7033 -19.6944 -19.5461 -19.5385 -19.5077 -19.5000 -7.1536 -7.1536 -5.9103 -5.9084 -5.1425 -5.1374 -5.0702 -5.0643 -0.8296 -0.8261 0.1788 0.1822 3.9571 3.9601 6.1780 6.1812 10.6479 10.6491 11.8252 11.8295 11.9667 11.9692 k =-0.1728 0.1492 0.7177 ( 3326 PWs) bands (ev): -47.6739 -47.6739 -24.2593 -24.2593 -20.0758 -20.0739 -19.7024 -19.6936 -19.5454 -19.5381 -19.5071 -19.4994 -7.1429 -7.1428 -5.9151 -5.9133 -5.1488 -5.1444 -5.0639 -5.0586 -0.8443 -0.8408 0.1621 0.1654 3.9610 3.9639 6.1781 6.1813 10.6441 10.6453 11.8486 11.8532 11.9740 11.9764 k =-0.1626 0.1404 0.7177 ( 3328 PWs) bands (ev): -47.6739 -47.6739 -24.2593 -24.2592 -20.0775 -20.0757 -19.7015 -19.6929 -19.5447 -19.5377 -19.5063 -19.4985 -7.1322 -7.1321 -5.9198 -5.9181 -5.1552 -5.1513 -5.0576 -5.0528 -0.8586 -0.8552 0.1456 0.1488 3.9648 3.9676 6.1788 6.1819 10.6407 10.6418 11.8682 11.8732 11.9826 11.9850 k =-0.1524 0.1316 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2592 -24.2591 -20.0795 -20.0776 -19.7005 -19.6921 -19.5440 -19.5374 -19.5052 -19.4976 -7.1216 -7.1215 -5.9245 -5.9227 -5.1617 -5.1582 -5.0514 -5.0470 -0.8724 -0.8692 0.1295 0.1327 3.9685 3.9712 6.1801 6.1830 10.6377 10.6387 11.8823 11.8875 11.9947 11.9972 k =-0.1423 0.1228 0.7177 ( 3330 PWs) bands (ev): -47.6738 -47.6738 -24.2591 -24.2591 -20.0815 -20.0797 -19.6995 -19.6914 -19.5433 -19.5371 -19.5040 -19.4965 -7.1112 -7.1110 -5.9290 -5.9274 -5.1680 -5.1648 -5.0454 -5.0414 -0.8858 -0.8827 0.1140 0.1170 3.9722 3.9747 6.1817 6.1845 10.6350 10.6359 11.8897 11.8950 12.0117 12.0144 k =-0.1321 0.1141 0.7177 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2591 -24.2590 -20.0837 -20.0820 -19.6985 -19.6907 -19.5427 -19.5370 -19.5026 -19.4954 -7.1010 -7.1009 -5.9334 -5.9319 -5.1741 -5.1712 -5.0397 -5.0360 -0.8986 -0.8956 0.0990 0.1019 3.9757 3.9781 6.1837 6.1864 10.6326 10.6334 11.8913 11.8964 12.0332 12.0358 k =-0.1219 0.1053 0.7177 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2590 -24.2590 -20.0858 -20.0842 -19.6975 -19.6901 -19.5420 -19.5368 -19.5010 -19.4942 -7.0912 -7.0911 -5.9377 -5.9363 -5.1798 -5.1773 -5.0342 -5.0309 -0.9108 -0.9079 0.0848 0.0875 3.9790 3.9813 6.1860 6.1885 10.6305 10.6313 11.8888 11.8935 12.0575 12.0602 k =-0.1118 0.0965 0.7177 ( 3335 PWs) bands (ev): -47.6738 -47.6738 -24.2589 -24.2589 -20.0880 -20.0865 -19.6965 -19.6895 -19.5414 -19.5367 -19.4994 -19.4929 -7.0818 -7.0816 -5.9419 -5.9405 -5.1852 -5.1829 -5.0291 -5.0260 -0.9222 -0.9195 0.0713 0.0739 3.9822 3.9844 6.1885 6.1908 10.6287 10.6294 11.8836 11.8879 12.0834 12.0859 k =-0.1016 0.0877 0.7177 ( 3333 PWs) bands (ev): -47.6738 -47.6738 -24.2589 -24.2588 -20.0901 -20.0887 -19.6954 -19.6890 -19.5409 -19.5366 -19.4977 -19.4917 -7.0729 -7.0727 -5.9459 -5.9446 -5.1902 -5.1881 -5.0243 -5.0216 -0.9328 -0.9303 0.0587 0.0611 3.9852 3.9872 6.1910 6.1932 10.6271 10.6277 11.8768 11.8807 12.1096 12.1121 k =-0.0915 0.0790 0.7177 ( 3341 PWs) bands (ev): -47.6738 -47.6738 -24.2588 -24.2588 -20.0922 -20.0909 -19.6945 -19.6886 -19.5404 -19.5366 -19.4961 -19.4905 -7.0645 -7.0644 -5.9497 -5.9486 -5.1948 -5.1929 -5.0200 -5.0175 -0.9426 -0.9403 0.0470 0.0492 3.9880 3.9898 6.1937 6.1956 10.6258 10.6263 11.8692 11.8728 12.1356 12.1379 k =-0.0813 0.0702 0.7177 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2587 -24.2587 -20.0941 -20.0929 -19.6936 -19.6883 -19.5399 -19.5365 -19.4944 -19.4894 -7.0568 -7.0567 -5.9533 -5.9522 -5.1989 -5.1972 -5.0160 -5.0138 -0.9514 -0.9494 0.0363 0.0384 3.9906 3.9922 6.1962 6.1980 10.6246 10.6251 11.8614 11.8646 12.1606 12.1627 k =-0.0711 0.0614 0.7177 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2587 -24.2587 -20.0958 -20.0948 -19.6927 -19.6880 -19.5395 -19.5366 -19.4928 -19.4884 -7.0498 -7.0496 -5.9566 -5.9556 -5.2025 -5.2011 -5.0124 -5.0105 -0.9594 -0.9575 0.0268 0.0286 3.9928 3.9943 6.1987 6.2003 10.6237 10.6242 11.8537 11.8565 12.1842 12.1861 k =-0.0610 0.0526 0.7177 ( 3341 PWs) bands (ev): -47.6738 -47.6738 -24.2586 -24.2586 -20.0974 -20.0965 -19.6919 -19.6879 -19.5391 -19.5366 -19.4914 -19.4875 -7.0435 -7.0434 -5.9595 -5.9587 -5.2057 -5.2044 -5.0093 -5.0076 -0.9663 -0.9647 0.0184 0.0199 3.9949 3.9961 6.2010 6.2024 10.6230 10.6233 11.8466 11.8490 12.2058 12.2075 k =-0.0508 0.0439 0.7177 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2586 -24.2586 -20.0988 -20.0980 -19.6912 -19.6878 -19.5387 -19.5367 -19.4900 -19.4867 -7.0381 -7.0380 -5.9621 -5.9614 -5.2083 -5.2072 -5.0066 -5.0052 -0.9722 -0.9708 0.0112 0.0125 3.9966 3.9977 6.2031 6.2042 10.6224 10.6227 11.8402 11.8422 12.2251 12.2266 k =-0.0406 0.0351 0.7177 ( 3344 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.0999 -20.0993 -19.6905 -19.6878 -19.5384 -19.5368 -19.4888 -19.4861 -7.0336 -7.0336 -5.9642 -5.9637 -5.2104 -5.2096 -5.0044 -5.0033 -0.9770 -0.9759 0.0053 0.0063 3.9981 3.9989 6.2049 6.2058 10.6219 10.6222 11.8347 11.8363 12.2416 12.2428 k =-0.0305 0.0263 0.7177 ( 3342 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1008 -20.1003 -19.6899 -19.6878 -19.5381 -19.5369 -19.4877 -19.4857 -7.0301 -7.0300 -5.9659 -5.9655 -5.2120 -5.2114 -5.0026 -5.0018 -0.9808 -0.9799 0.0006 0.0015 3.9993 3.9999 6.2063 6.2070 10.6216 10.6218 11.8303 11.8316 12.2549 12.2558 k =-0.0203 0.0175 0.7177 ( 3344 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1014 -20.1011 -19.6894 -19.6880 -19.5379 -19.5371 -19.4869 -19.4855 -7.0275 -7.0275 -5.9671 -5.9669 -5.2132 -5.2128 -5.0013 -5.0008 -0.9834 -0.9829 -0.0026 -0.0021 4.0001 4.0005 6.2074 6.2079 10.6213 10.6215 11.8272 11.8280 12.2647 12.2653 k =-0.0102 0.0088 0.7177 ( 3348 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1018 -20.1016 -19.6890 -19.6883 -19.5377 -19.5373 -19.4862 -19.4855 -7.0260 -7.0259 -5.9679 -5.9677 -5.2138 -5.2136 -5.0005 -5.0002 -0.9850 -0.9847 -0.0046 -0.0043 4.0007 4.0009 6.2081 6.2084 10.6212 10.6213 11.8254 11.8258 12.2707 12.2710 k = 0.0000 0.0000 0.7177 ( 3350 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1018 -20.1018 -19.6886 -19.6886 -19.5375 -19.5375 -19.4858 -19.4858 -7.0254 -7.0254 -5.9680 -5.9680 -5.2140 -5.2140 -5.0001 -5.0001 -0.9854 -0.9854 -0.0051 -0.0051 4.0009 4.0009 6.2084 6.2084 10.6212 10.6212 11.8249 11.8249 12.2729 12.2729 k = 0.0000 0.0000 0.7177 ( 3350 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1018 -20.1018 -19.6886 -19.6886 -19.5375 -19.5375 -19.4858 -19.4858 -7.0254 -7.0254 -5.9680 -5.9680 -5.2140 -5.2140 -5.0001 -5.0001 -0.9854 -0.9854 -0.0051 -0.0051 4.0009 4.0009 6.2084 6.2084 10.6212 10.6212 11.8249 11.8249 12.2729 12.2729 k = 0.0086 0.0100 0.7177 ( 3348 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1021 -20.1016 -19.6894 -19.6877 -19.5376 -19.5373 -19.4862 -19.4853 -7.0255 -7.0254 -5.9681 -5.9680 -5.2141 -5.2139 -5.0003 -5.0002 -0.9853 -0.9852 -0.0051 -0.0050 4.0011 4.0011 6.2083 6.2086 10.6218 10.6220 11.8249 11.8250 12.2708 12.2712 k = 0.0172 0.0200 0.7177 ( 3346 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1023 -20.1013 -19.6902 -19.6868 -19.5378 -19.5370 -19.4866 -19.4849 -7.0256 -7.0255 -5.9681 -5.9679 -5.2143 -5.2140 -5.0007 -5.0006 -0.9848 -0.9847 -0.0050 -0.0048 4.0017 4.0017 6.2083 6.2087 10.6238 10.6242 11.8251 11.8252 12.2650 12.2658 k = 0.0259 0.0300 0.7177 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2585 -24.2585 -20.1024 -20.1010 -19.6910 -19.6859 -19.5379 -19.5368 -19.4870 -19.4845 -7.0257 -7.0256 -5.9680 -5.9677 -5.2146 -5.2141 -5.0014 -5.0012 -0.9840 -0.9838 -0.0047 -0.0044 4.0027 4.0027 6.2082 6.2088 10.6271 10.6277 11.8254 11.8256 12.2556 12.2568 k = 0.0345 0.0399 0.7177 ( 3334 PWs) bands (ev): -47.6738 -47.6738 -24.2586 -24.2586 -20.1026 -20.1007 -19.6918 -19.6850 -19.5380 -19.5365 -19.4874 -19.4841 -7.0258 -7.0258 -5.9680 -5.9675 -5.2150 -5.2143 -5.0023 -5.0021 -0.9829 -0.9827 -0.0043 -0.0040 4.0040 4.0040 6.2081 6.2089 10.6318 10.6326 11.8259 11.8261 12.2427 12.2443 k = 0.0431 0.0499 0.7177 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2587 -24.2587 -20.1028 -20.1003 -19.6926 -19.6841 -19.5382 -19.5363 -19.4879 -19.4838 -7.0261 -7.0260 -5.9679 -5.9674 -5.2155 -5.2146 -5.0035 -5.0033 -0.9816 -0.9813 -0.0039 -0.0035 4.0057 4.0057 6.2080 6.2090 10.6378 10.6388 11.8265 11.8268 12.2265 12.2284 k = 0.0517 0.0599 0.7177 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2587 -24.2587 -20.1029 -20.1000 -19.6933 -19.6833 -19.5383 -19.5360 -19.4883 -19.4834 -7.0263 -7.0262 -5.9677 -5.9671 -5.2160 -5.2150 -5.0050 -5.0047 -0.9799 -0.9795 -0.0033 -0.0029 4.0077 4.0077 6.2079 6.2091 10.6452 10.6464 11.8273 11.8276 12.2072 12.2095 k = 0.0603 0.0699 0.7177 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2588 -24.2588 -20.1030 -20.0996 -19.6941 -19.6824 -19.5385 -19.5357 -19.4887 -19.4831 -7.0267 -7.0265 -5.9675 -5.9668 -5.2166 -5.2155 -5.0066 -5.0063 -0.9780 -0.9776 -0.0027 -0.0021 4.0100 4.0100 6.2078 6.2092 10.6538 10.6552 11.8281 11.8285 12.1850 12.1877 k = 0.0690 0.0799 0.7177 ( 3342 PWs) bands (ev): -47.6738 -47.6738 -24.2589 -24.2589 -20.1031 -20.0993 -19.6948 -19.6815 -19.5386 -19.5355 -19.4890 -19.4827 -7.0270 -7.0268 -5.9673 -5.9665 -5.2173 -5.2160 -5.0084 -5.0081 -0.9758 -0.9754 -0.0019 -0.0013 4.0126 4.0126 6.2077 6.2094 10.6638 10.6653 11.8291 11.8296 12.1603 12.1633 k = 0.0776 0.0899 0.7177 ( 3342 PWs) bands (ev): -47.6738 -47.6738 -24.2590 -24.2590 -20.1032 -20.0989 -19.6955 -19.6806 -19.5387 -19.5352 -19.4894 -19.4824 -7.0274 -7.0272 -5.9671 -5.9662 -5.2180 -5.2166 -5.0105 -5.0100 -0.9735 -0.9729 -0.0011 -0.0005 4.0154 4.0155 6.2077 6.2095 10.6750 10.6767 11.8302 11.8307 12.1333 12.1366 k = 0.0862 0.0998 0.7177 ( 3346 PWs) bands (ev): -47.6738 -47.6738 -24.2592 -24.2592 -20.1033 -20.0985 -19.6962 -19.6798 -19.5389 -19.5348 -19.4898 -19.4821 -7.0278 -7.0276 -5.9669 -5.9659 -5.2188 -5.2172 -5.0126 -5.0121 -0.9709 -0.9704 -0.0002 0.0005 4.0185 4.0185 6.2076 6.2096 10.6874 10.6893 11.8314 11.8320 12.1044 12.1079 k = 0.0948 0.1098 0.7177 ( 3348 PWs) bands (ev): -47.6738 -47.6738 -24.2593 -24.2593 -20.1033 -20.0982 -19.6968 -19.6789 -19.5390 -19.5345 -19.4902 -19.4819 -7.0282 -7.0280 -5.9666 -5.9655 -5.2197 -5.2179 -5.0149 -5.0144 -0.9683 -0.9676 0.0007 0.0015 4.0218 4.0218 6.2075 6.2097 10.7009 10.7030 11.8327 11.8333 12.0737 12.0774 k = 0.1034 0.1198 0.7177 ( 3346 PWs) bands (ev): -47.6738 -47.6738 -24.2594 -24.2594 -20.1033 -20.0978 -19.6974 -19.6781 -19.5391 -19.5342 -19.4905 -19.4816 -7.0286 -7.0284 -5.9663 -5.9652 -5.2205 -5.2186 -5.0173 -5.0167 -0.9655 -0.9648 0.0017 0.0025 4.0252 4.0253 6.2075 6.2098 10.7156 10.7178 11.8341 11.8348 12.0416 12.0456 k = 0.1121 0.1298 0.7177 ( 3342 PWs) bands (ev): -47.6738 -47.6738 -24.2596 -24.2596 -20.1034 -20.0974 -19.6980 -19.6773 -19.5392 -19.5338 -19.4908 -19.4813 -7.0291 -7.0289 -5.9660 -5.9648 -5.2214 -5.2194 -5.0197 -5.0191 -0.9626 -0.9619 0.0027 0.0036 4.0288 4.0288 6.2074 6.2099 10.7313 10.7337 11.8356 11.8363 12.0084 12.0126 k = 0.1207 0.1398 0.7177 ( 3342 PWs) bands (ev): -47.6738 -47.6738 -24.2597 -24.2597 -20.1034 -20.0970 -19.6986 -19.6765 -19.5394 -19.5335 -19.4910 -19.4811 -7.0296 -7.0293 -5.9657 -5.9644 -5.2223 -5.2201 -5.0222 -5.0215 -0.9597 -0.9589 0.0037 0.0047 4.0324 4.0324 6.2074 6.2100 10.7479 10.7505 11.8371 11.8378 11.9744 11.9788 k = 0.1293 0.1498 0.7177 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2598 -24.2598 -20.1034 -20.0967 -19.6991 -19.6757 -19.5395 -19.5331 -19.4913 -19.4809 -7.0300 -7.0298 -5.9654 -5.9640 -5.2232 -5.2209 -5.0246 -5.0239 -0.9567 -0.9559 0.0047 0.0057 4.0361 4.0361 6.2073 6.2101 10.7654 10.7681 11.8387 11.8394 11.9398 11.9444 k = 0.1379 0.1598 0.7177 ( 3332 PWs) bands (ev): -47.6738 -47.6738 -24.2600 -24.2600 -20.1033 -20.0963 -19.6995 -19.6749 -19.5396 -19.5328 -19.4915 -19.4807 -7.0305 -7.0302 -5.9651 -5.9636 -5.2241 -5.2217 -5.0270 -5.0263 -0.9538 -0.9530 0.0058 0.0068 4.0398 4.0398 6.2073 6.2102 10.7837 10.7865 11.8403 11.8411 11.9050 11.9097 k = 0.1466 0.1697 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2601 -24.2601 -20.1033 -20.0959 -19.7000 -19.6742 -19.5397 -19.5324 -19.4917 -19.4805 -7.0309 -7.0307 -5.9648 -5.9632 -5.2249 -5.2224 -5.0294 -5.0287 -0.9509 -0.9501 0.0068 0.0079 4.0433 4.0434 6.2072 6.2103 10.8026 10.8055 11.8418 11.8427 11.8702 11.8750 k = 0.1552 0.1797 0.7177 ( 3322 PWs) bands (ev): -47.6738 -47.6738 -24.2602 -24.2602 -20.1033 -20.0956 -19.7004 -19.6735 -19.5398 -19.5321 -19.4919 -19.4803 -7.0314 -7.0311 -5.9645 -5.9629 -5.2257 -5.2231 -5.0317 -5.0310 -0.9482 -0.9473 0.0078 0.0089 4.0469 4.0469 6.2072 6.2104 10.8220 10.8250 11.8357 11.8406 11.8435 11.8445 k = 0.1638 0.1897 0.7177 ( 3324 PWs) bands (ev): -47.6738 -47.6738 -24.2604 -24.2604 -20.1032 -20.0953 -19.7008 -19.6729 -19.5399 -19.5318 -19.4921 -19.4802 -7.0318 -7.0315 -5.9642 -5.9625 -5.2265 -5.2238 -5.0340 -5.0332 -0.9455 -0.9446 0.0087 0.0099 4.0502 4.0503 6.2072 6.2105 10.8416 10.8448 11.8019 11.8070 11.8450 11.8459 k = 0.1724 0.1997 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2605 -24.2605 -20.1032 -20.0950 -19.7012 -19.6724 -19.5400 -19.5316 -19.4922 -19.4801 -7.0322 -7.0319 -5.9639 -5.9622 -5.2273 -5.2245 -5.0361 -5.0353 -0.9431 -0.9421 0.0096 0.0108 4.0534 4.0534 6.2071 6.2105 10.8613 10.8646 11.7691 11.7742 11.8465 11.8474 k = 0.1810 0.2097 0.7177 ( 3326 PWs) bands (ev): -47.6738 -47.6738 -24.2606 -24.2606 -20.1032 -20.0948 -19.7015 -19.6718 -19.5401 -19.5313 -19.4924 -19.4799 -7.0326 -7.0323 -5.9637 -5.9619 -5.2280 -5.2251 -5.0380 -5.0372 -0.9408 -0.9398 0.0104 0.0117 4.0564 4.0564 6.2071 6.2106 10.8808 10.8841 11.7376 11.7429 11.8479 11.8489 k = 0.1897 0.2197 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2607 -24.2607 -20.1031 -20.0945 -19.7018 -19.6714 -19.5403 -19.5311 -19.4925 -19.4798 -7.0329 -7.0326 -5.9635 -5.9616 -5.2287 -5.2257 -5.0398 -5.0390 -0.9387 -0.9376 0.0112 0.0124 4.0591 4.0591 6.2071 6.2107 10.8997 10.9031 11.7079 11.7132 11.8492 11.8502 k = 0.1983 0.2296 0.7177 ( 3332 PWs) bands (ev): -47.6738 -47.6738 -24.2608 -24.2608 -20.1031 -20.0943 -19.7021 -19.6710 -19.5404 -19.5309 -19.4926 -19.4798 -7.0333 -7.0329 -5.9633 -5.9614 -5.2292 -5.2262 -5.0414 -5.0405 -0.9368 -0.9358 0.0118 0.0131 4.0615 4.0615 6.2071 6.2107 10.9177 10.9212 11.6804 11.6858 11.8504 11.8514 k = 0.2069 0.2396 0.7177 ( 3334 PWs) bands (ev): -47.6738 -47.6738 -24.2609 -24.2609 -20.1031 -20.0941 -19.7023 -19.6706 -19.5405 -19.5307 -19.4927 -19.4797 -7.0335 -7.0332 -5.9631 -5.9612 -5.2297 -5.2267 -5.0428 -5.0419 -0.9352 -0.9341 0.0124 0.0137 4.0636 4.0636 6.2071 6.2107 10.9343 10.9378 11.6557 11.6612 11.8514 11.8525 k = 0.2155 0.2496 0.7177 ( 3332 PWs) bands (ev): -47.6738 -47.6738 -24.2609 -24.2609 -20.1031 -20.0940 -19.7025 -19.6703 -19.5405 -19.5305 -19.4928 -19.4797 -7.0338 -7.0334 -5.9629 -5.9610 -5.2301 -5.2270 -5.0439 -5.0430 -0.9338 -0.9328 0.0129 0.0142 4.0653 4.0654 6.2071 6.2108 10.9490 10.9525 11.6343 11.6398 11.8523 11.8533 k = 0.2241 0.2596 0.7177 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2610 -24.2610 -20.1030 -20.0939 -19.7026 -19.6701 -19.5406 -19.5304 -19.4928 -19.4796 -7.0339 -7.0336 -5.9628 -5.9609 -5.2305 -5.2273 -5.0448 -5.0439 -0.9328 -0.9317 0.0133 0.0146 4.0667 4.0668 6.2070 6.2108 10.9612 10.9648 11.6168 11.6224 11.8530 11.8541 k = 0.2328 0.2696 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2610 -24.2610 -20.1030 -20.0938 -19.7027 -19.6699 -19.5406 -19.5303 -19.4928 -19.4796 -7.0340 -7.0337 -5.9627 -5.9608 -5.2307 -5.2275 -5.0454 -5.0445 -0.9320 -0.9309 0.0136 0.0149 4.0678 4.0678 6.2070 6.2108 10.9704 10.9741 11.6038 11.6094 11.8535 11.8546 k = 0.2414 0.2796 0.7177 ( 3326 PWs) bands (ev): -47.6738 -47.6738 -24.2610 -24.2610 -20.1030 -20.0937 -19.7027 -19.6698 -19.5406 -19.5303 -19.4928 -19.4796 -7.0341 -7.0338 -5.9627 -5.9607 -5.2308 -5.2277 -5.0458 -5.0449 -0.9315 -0.9304 0.0137 0.0151 4.0684 4.0684 6.2070 6.2109 10.9762 10.9798 11.5958 11.6014 11.8538 11.8549 k = 0.2500 0.2896 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2610 -24.2610 -20.1030 -20.0937 -19.7027 -19.6698 -19.5406 -19.5302 -19.4929 -19.4796 -7.0342 -7.0338 -5.9627 -5.9607 -5.2309 -5.2277 -5.0460 -5.0451 -0.9314 -0.9303 0.0138 0.0152 4.0686 4.0686 6.2070 6.2109 10.9782 10.9818 11.5930 11.5987 11.8539 11.8550 k = 0.2500 0.2896 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2610 -24.2610 -20.1030 -20.0937 -19.7027 -19.6698 -19.5406 -19.5302 -19.4929 -19.4796 -7.0342 -7.0338 -5.9627 -5.9607 -5.2309 -5.2277 -5.0460 -5.0451 -0.9314 -0.9303 0.0138 0.0152 4.0686 4.0686 6.2070 6.2109 10.9782 10.9818 11.5930 11.5987 11.8539 11.8550 k = 0.2417 0.2967 0.7104 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2611 -24.2611 -20.1028 -20.0935 -19.7028 -19.6698 -19.5407 -19.5302 -19.4930 -19.4797 -7.0348 -7.0344 -5.9626 -5.9606 -5.2307 -5.2275 -5.0457 -5.0446 -0.9313 -0.9302 0.0146 0.0160 4.0683 4.0683 6.2065 6.2103 10.9761 10.9797 11.5780 11.5833 11.8719 11.8727 k = 0.2333 0.3039 0.7031 ( 3326 PWs) bands (ev): -47.6738 -47.6738 -24.2611 -24.2611 -20.1020 -20.0927 -19.7029 -19.6700 -19.5408 -19.5302 -19.4935 -19.4803 -7.0367 -7.0364 -5.9624 -5.9605 -5.2301 -5.2267 -5.0450 -5.0434 -0.9312 -0.9301 0.0169 0.0183 4.0674 4.0675 6.2048 6.2086 10.9701 10.9736 11.5412 11.5459 11.9170 11.9176 k = 0.2250 0.3111 0.6958 ( 3326 PWs) bands (ev): -47.6738 -47.6738 -24.2612 -24.2612 -20.1008 -20.0915 -19.7032 -19.6702 -19.5409 -19.5302 -19.4942 -19.4812 -7.0399 -7.0395 -5.9621 -5.9602 -5.2291 -5.2255 -5.0436 -5.0415 -0.9309 -0.9298 0.0208 0.0222 4.0660 4.0660 6.2020 6.2058 10.9602 10.9636 11.4946 11.4989 11.9765 11.9774 k = 0.2167 0.3183 0.6886 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2613 -24.2613 -20.0990 -20.0897 -19.7036 -19.6706 -19.5411 -19.5302 -19.4952 -19.4824 -7.0443 -7.0439 -5.9618 -5.9599 -5.2276 -5.2237 -5.0417 -5.0390 -0.9305 -0.9295 0.0262 0.0275 4.0640 4.0640 6.1982 6.2019 10.9466 10.9500 11.4448 11.4487 12.0442 12.0453 k = 0.2083 0.3255 0.6813 ( 3330 PWs) bands (ev): -47.6738 -47.6738 -24.2615 -24.2614 -20.0968 -20.0875 -19.7040 -19.6711 -19.5414 -19.5302 -19.4965 -19.4840 -7.0498 -7.0494 -5.9614 -5.9595 -5.2257 -5.2214 -5.0393 -5.0360 -0.9299 -0.9290 0.0330 0.0343 4.0614 4.0615 6.1933 6.1970 10.9299 10.9332 11.3943 11.3981 12.1171 12.1184 k = 0.2000 0.3327 0.6740 ( 3334 PWs) bands (ev): -47.6738 -47.6738 -24.2616 -24.2616 -20.0941 -20.0848 -19.7046 -19.6717 -19.5417 -19.5302 -19.4981 -19.4860 -7.0563 -7.0560 -5.9611 -5.9592 -5.2231 -5.2185 -5.0364 -5.0327 -0.9293 -0.9284 0.0412 0.0424 4.0583 4.0584 6.1874 6.1911 10.9103 10.9134 11.3445 11.3481 12.1937 12.1952 k = 0.1917 0.3399 0.6667 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2618 -24.2618 -20.0910 -20.0817 -19.7052 -19.6724 -19.5422 -19.5302 -19.4999 -19.4882 -7.0638 -7.0635 -5.9608 -5.9590 -5.2199 -5.2150 -5.0333 -5.0290 -0.9285 -0.9276 0.0506 0.0518 4.0548 4.0549 6.1806 6.1842 10.8883 10.8914 11.2957 11.2992 12.2732 12.2749 k = 0.1833 0.3471 0.6594 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2621 -24.2621 -20.0874 -20.0781 -19.7060 -19.6732 -19.5427 -19.5302 -19.5018 -19.4908 -7.0721 -7.0718 -5.9606 -5.9589 -5.2161 -5.2108 -5.0298 -5.0251 -0.9276 -0.9267 0.0612 0.0623 4.0509 4.0509 6.1729 6.1765 10.8646 10.8675 11.2482 11.2516 12.3550 12.3568 k = 0.1750 0.3543 0.6521 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2623 -24.2623 -20.0835 -20.0741 -19.7068 -19.6742 -19.5433 -19.5301 -19.5039 -19.4936 -7.0811 -7.0808 -5.9606 -5.9589 -5.2116 -5.2060 -5.0262 -5.0211 -0.9265 -0.9257 0.0728 0.0739 4.0466 4.0466 6.1645 6.1679 10.8394 10.8422 11.2020 11.2053 12.4386 12.4405 k = 0.1667 0.3615 0.6449 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2626 -24.2626 -20.0791 -20.0698 -19.7078 -19.6753 -19.5440 -19.5301 -19.5061 -19.4966 -7.0907 -7.0904 -5.9608 -5.9591 -5.2063 -5.2005 -5.0225 -5.0171 -0.9252 -0.9245 0.0853 0.0863 4.0419 4.0419 6.1553 6.1587 10.8133 10.8160 11.1572 11.1604 12.5236 12.5257 k = 0.1583 0.3687 0.6376 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2629 -24.2629 -20.0744 -20.0651 -19.7089 -19.6766 -19.5449 -19.5301 -19.5083 -19.4999 -7.1007 -7.1004 -5.9611 -5.9596 -5.2004 -5.1944 -5.0189 -5.0131 -0.9238 -0.9231 0.0985 0.0995 4.0369 4.0370 6.1455 6.1488 10.7868 10.7893 11.1137 11.1167 12.6095 12.6118 k = 0.1500 0.3759 0.6303 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2632 -24.2632 -20.0694 -20.0601 -19.7100 -19.6781 -19.5459 -19.5300 -19.5105 -19.5033 -7.1111 -7.1108 -5.9617 -5.9603 -5.1938 -5.1875 -5.0154 -5.0093 -0.9222 -0.9216 0.1123 0.1132 4.0317 4.0318 6.1352 6.1384 10.7601 10.7626 11.0716 11.0745 12.6959 12.6984 k = 0.1417 0.3831 0.6230 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2635 -24.2635 -20.0641 -20.0548 -19.7113 -19.6797 -19.5470 -19.5300 -19.5127 -19.5068 -7.1217 -7.1214 -5.9626 -5.9612 -5.1866 -5.1801 -5.0121 -5.0057 -0.9205 -0.9199 0.1266 0.1274 4.0264 4.0264 6.1245 6.1276 10.7337 10.7361 11.0309 11.0336 12.7824 12.7852 k = 0.1333 0.3903 0.6157 ( 3344 PWs) bands (ev): -47.6738 -47.6738 -24.2638 -24.2638 -20.0585 -20.0493 -19.7127 -19.6816 -19.5483 -19.5300 -19.5148 -19.5104 -7.1324 -7.1321 -5.9636 -5.9623 -5.1789 -5.1721 -5.0091 -5.0024 -0.9187 -0.9181 0.1411 0.1419 4.0209 4.0210 6.1135 6.1165 10.7077 10.7100 10.9917 10.9942 12.8684 12.8714 k = 0.1250 0.3975 0.6084 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2641 -24.2641 -20.0527 -20.0436 -19.7141 -19.6836 -19.5497 -19.5299 -19.5170 -19.5139 -7.1430 -7.1427 -5.9648 -5.9636 -5.1705 -5.1636 -5.0064 -4.9995 -0.9168 -0.9162 0.1558 0.1565 4.0154 4.0155 6.1024 6.1052 10.6825 10.6847 10.9541 10.9565 12.9532 12.9565 k = 0.1167 0.4047 0.6011 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2644 -24.2644 -20.0468 -20.0379 -19.7156 -19.6859 -19.5513 -19.5299 -19.5197 -19.5167 -7.1535 -7.1532 -5.9663 -5.9651 -5.1617 -5.1546 -5.0041 -4.9970 -0.9147 -0.9142 0.1705 0.1712 4.0099 4.0099 6.0912 6.0939 10.6581 10.6602 10.9183 10.9205 13.0361 13.0397 k = 0.1083 0.4119 0.5939 ( 3334 PWs) bands (ev): -47.6738 -47.6738 -24.2648 -24.2648 -20.0408 -20.0320 -19.7172 -19.6884 -19.5528 -19.5299 -19.5230 -19.5188 -7.1637 -7.1635 -5.9678 -5.9668 -5.1526 -5.1453 -5.0024 -4.9951 -0.9127 -0.9122 0.1850 0.1856 4.0044 4.0045 6.0801 6.0827 10.6347 10.6367 10.8844 10.8864 13.1163 13.1202 k = 0.1000 0.4191 0.5866 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2651 -24.2651 -20.0347 -20.0262 -19.7188 -19.6911 -19.5545 -19.5302 -19.5264 -19.5204 -7.1735 -7.1734 -5.9696 -5.9686 -5.1431 -5.1357 -5.0011 -4.9937 -0.9105 -0.9101 0.1991 0.1997 3.9991 3.9992 6.0692 6.0716 10.6123 10.6143 10.8525 10.8544 13.1929 13.1970 k = 0.0917 0.4263 0.5793 ( 3344 PWs) bands (ev): -47.6738 -47.6738 -24.2654 -24.2654 -20.0287 -20.0204 -19.7204 -19.6940 -19.5561 -19.5316 -19.5286 -19.5217 -7.1830 -7.1828 -5.9713 -5.9704 -5.1334 -5.1259 -5.0004 -4.9928 -0.9084 -0.9080 0.2128 0.2133 3.9939 3.9940 6.0586 6.0608 10.5912 10.5931 10.8230 10.8246 13.2648 13.2692 k = 0.0833 0.4335 0.5720 ( 3346 PWs) bands (ev): -47.6738 -47.6738 -24.2657 -24.2657 -20.0227 -20.0147 -19.7220 -19.6970 -19.5577 -19.5348 -19.5291 -19.5227 -7.1919 -7.1917 -5.9731 -5.9723 -5.1236 -5.1160 -5.0003 -4.9926 -0.9063 -0.9059 0.2258 0.2263 3.9890 3.9891 6.0484 6.0505 10.5713 10.5731 10.7958 10.7972 13.3311 13.3357 k = 0.0750 0.4406 0.5647 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2659 -24.2659 -20.0169 -20.0093 -19.7235 -19.7002 -19.5591 -19.5382 -19.5291 -19.5236 -7.2001 -7.2000 -5.9749 -5.9742 -5.1138 -5.1060 -5.0009 -4.9930 -0.9043 -0.9039 0.2381 0.2385 3.9844 3.9845 6.0389 6.0408 10.5528 10.5545 10.7710 10.7723 13.3908 13.3955 k = 0.0667 0.4478 0.5574 ( 3342 PWs) bands (ev): -47.6738 -47.6738 -24.2662 -24.2662 -20.0113 -20.0042 -19.7249 -19.7035 -19.5603 -19.5416 -19.5290 -19.5244 -7.2077 -7.2076 -5.9766 -5.9759 -5.1040 -5.0961 -5.0021 -4.9941 -0.9024 -0.9020 0.2494 0.2498 3.9802 3.9802 6.0300 6.0317 10.5357 10.5373 10.7489 10.7500 13.4433 13.4480 k = 0.0583 0.4550 0.5501 ( 3344 PWs) bands (ev): -47.6738 -47.6738 -24.2664 -24.2664 -20.0061 -19.9995 -19.7262 -19.7068 -19.5613 -19.5448 -19.5290 -19.5251 -7.2146 -7.2144 -5.9782 -5.9777 -5.0943 -5.0864 -5.0039 -4.9959 -0.9005 -0.9002 0.2597 0.2601 3.9763 3.9763 6.0219 6.0234 10.5203 10.5217 10.7294 10.7304 13.4882 13.4926 k = 0.0500 0.4622 0.5429 ( 3348 PWs) bands (ev): -47.6738 -47.6738 -24.2666 -24.2666 -20.0012 -19.9953 -19.7272 -19.7101 -19.5621 -19.5479 -19.5289 -19.5257 -7.2206 -7.2205 -5.9797 -5.9792 -5.0848 -5.0768 -5.0064 -4.9983 -0.8989 -0.8987 0.2689 0.2692 3.9728 3.9729 6.0147 6.0160 10.5065 10.5078 10.7126 10.7134 13.5254 13.5295 k = 0.0417 0.4694 0.5356 ( 3344 PWs) bands (ev): -47.6738 -47.6738 -24.2668 -24.2668 -19.9968 -19.9917 -19.7279 -19.7133 -19.5626 -19.5507 -19.5287 -19.5261 -7.2258 -7.2257 -5.9810 -5.9806 -5.0756 -5.0675 -5.0096 -5.0014 -0.8975 -0.8972 0.2769 0.2771 3.9699 3.9699 6.0084 6.0095 10.4946 10.4957 10.6985 10.6991 13.5554 13.5590 k = 0.0333 0.4766 0.5283 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2669 -24.2669 -19.9929 -19.9887 -19.7282 -19.7163 -19.5628 -19.5532 -19.5285 -19.5265 -7.2301 -7.2300 -5.9821 -5.9817 -5.0667 -5.0586 -5.0134 -5.0052 -0.8962 -0.8961 0.2836 0.2838 3.9674 3.9674 6.0033 6.0041 10.4846 10.4855 10.6870 10.6875 13.5786 13.5816 k = 0.0250 0.4838 0.5210 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2670 -24.2670 -19.9897 -19.9864 -19.7283 -19.7192 -19.5627 -19.5554 -19.5284 -19.5269 -7.2335 -7.2334 -5.9829 -5.9827 -5.0582 -5.0500 -5.0179 -5.0097 -0.8953 -0.8951 0.2888 0.2890 3.9654 3.9655 5.9992 5.9998 10.4768 10.4775 10.6781 10.6785 13.5958 13.5981 k = 0.0167 0.4910 0.5137 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2671 -24.2671 -19.9871 -19.9849 -19.7278 -19.7217 -19.5623 -19.5574 -19.5282 -19.5272 -7.2359 -7.2359 -5.9835 -5.9834 -5.0502 -5.0420 -5.0231 -5.0149 -0.8945 -0.8944 0.2926 0.2927 3.9640 3.9640 5.9963 5.9967 10.4711 10.4716 10.6718 10.6720 13.6077 13.6092 k = 0.0083 0.4982 0.5064 ( 3338 PWs) bands (ev): -47.6738 -47.6738 -24.2672 -24.2672 -19.9854 -19.9842 -19.7270 -19.7239 -19.5615 -19.5591 -19.5280 -19.5275 -7.2374 -7.2373 -5.9839 -5.9838 -5.0427 -5.0348 -5.0285 -5.0206 -0.8941 -0.8940 0.2949 0.2949 3.9632 3.9632 5.9945 5.9947 10.4677 10.4680 10.6681 10.6682 13.6147 13.6155 k = 0.0000 0.5054 0.4991 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2672 -24.2672 -19.9844 -19.9844 -19.7256 -19.7256 -19.5605 -19.5605 -19.5278 -19.5278 -7.2378 -7.2378 -5.9840 -5.9840 -5.0359 -5.0359 -5.0269 -5.0269 -0.8939 -0.8939 0.2957 0.2957 3.9629 3.9629 5.9940 5.9940 10.4667 10.4667 10.6669 10.6669 13.6173 13.6173 k = 0.0000 0.5054 0.4991 ( 3340 PWs) bands (ev): -47.6738 -47.6738 -24.2672 -24.2672 -19.9844 -19.9844 -19.7256 -19.7256 -19.5605 -19.5605 -19.5278 -19.5278 -7.2378 -7.2378 -5.9840 -5.9840 -5.0359 -5.0359 -5.0269 -5.0269 -0.8939 -0.8939 0.2957 0.2957 3.9629 3.9629 5.9940 5.9940 10.4667 10.4667 10.6669 10.6669 13.6173 13.6173 k = 0.0104 0.5113 0.4931 ( 3337 PWs) bands (ev): -47.6738 -47.6738 -24.2672 -24.2671 -19.9846 -19.9845 -19.7257 -19.7254 -19.5605 -19.5604 -19.5278 -19.5277 -7.2379 -7.2379 -5.9839 -5.9838 -5.0360 -5.0359 -5.0269 -5.0269 -0.8936 -0.8935 0.2957 0.2958 3.9627 3.9628 5.9942 5.9944 10.4670 10.4672 10.6677 10.6678 13.6150 13.6151 k = 0.0207 0.5172 0.4872 ( 3343 PWs) bands (ev): -47.6738 -47.6738 -24.2671 -24.2671 -19.9850 -19.9850 -19.7257 -19.7252 -19.5604 -19.5601 -19.5279 -19.5276 -7.2380 -7.2380 -5.9834 -5.9832 -5.0365 -5.0363 -5.0272 -5.0271 -0.8925 -0.8922 0.2959 0.2961 3.9622 3.9625 5.9948 5.9952 10.4681 10.4685 10.6703 10.6705 13.6084 13.6086 k = 0.0311 0.5232 0.4812 ( 3339 PWs) bands (ev): -47.6738 -47.6738 -24.2670 -24.2670 -19.9858 -19.9858 -19.7256 -19.7248 -19.5602 -19.5598 -19.5278 -19.5275 -7.2383 -7.2383 -5.9826 -5.9823 -5.0373 -5.0370 -5.0274 -5.0273 -0.8907 -0.8902 0.2962 0.2966 3.9614 3.9619 5.9959 5.9966 10.4701 10.4706 10.6746 10.6749 13.5974 13.5977 k = 0.0414 0.5291 0.4752 ( 3335 PWs) bands (ev): -47.6738 -47.6738 -24.2669 -24.2669 -19.9870 -19.9870 -19.7253 -19.7242 -19.5600 -19.5594 -19.5278 -19.5273 -7.2386 -7.2386 -5.9815 -5.9810 -5.0384 -5.0380 -5.0278 -5.0277 -0.8881 -0.8875 0.2968 0.2973 3.9604 3.9611 5.9976 5.9984 10.4728 10.4735 10.6807 10.6811 13.5821 13.5826 k = 0.0518 0.5350 0.4692 ( 3333 PWs) bands (ev): -47.6738 -47.6738 -24.2668 -24.2667 -19.9884 -19.9884 -19.7250 -19.7236 -19.5596 -19.5589 -19.5277 -19.5271 -7.2390 -7.2390 -5.9800 -5.9794 -5.0399 -5.0393 -5.0282 -5.0280 -0.8848 -0.8840 0.2975 0.2982 3.9592 3.9600 5.9997 6.0007 10.4764 10.4772 10.6884 10.6889 13.5627 13.5633 k = 0.0621 0.5409 0.4632 ( 3337 PWs) bands (ev): -47.6738 -47.6738 -24.2666 -24.2666 -19.9901 -19.9901 -19.7246 -19.7230 -19.5592 -19.5583 -19.5276 -19.5269 -7.2395 -7.2394 -5.9781 -5.9775 -5.0418 -5.0411 -5.0286 -5.0284 -0.8808 -0.8799 0.2984 0.2992 3.9577 3.9587 6.0023 6.0036 10.4807 10.4817 10.6979 10.6984 13.5393 13.5399 k = 0.0725 0.5469 0.4572 ( 3337 PWs) bands (ev): -47.6738 -47.6738 -24.2664 -24.2664 -19.9921 -19.9921 -19.7241 -19.7222 -19.5588 -19.5576 -19.5274 -19.5267 -7.2400 -7.2400 -5.9760 -5.9752 -5.0440 -5.0432 -5.0290 -5.0288 -0.8760 -0.8750 0.2994 0.3004 3.9560 3.9571 6.0055 6.0069 10.4858 10.4869 10.7090 10.7096 13.5118 13.5126 k = 0.0829 0.5528 0.4512 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2662 -24.2661 -19.9944 -19.9944 -19.7236 -19.7214 -19.5583 -19.5568 -19.5271 -19.5264 -7.2407 -7.2407 -5.9734 -5.9726 -5.0466 -5.0457 -5.0294 -5.0292 -0.8706 -0.8694 0.3007 0.3018 3.9542 3.9554 6.0092 6.0108 10.4917 10.4929 10.7217 10.7223 13.4806 13.4815 k = 0.0932 0.5587 0.4452 ( 3332 PWs) bands (ev): -47.6738 -47.6738 -24.2659 -24.2659 -19.9969 -19.9969 -19.7229 -19.7205 -19.5577 -19.5560 -19.5268 -19.5261 -7.2414 -7.2414 -5.9706 -5.9696 -5.0496 -5.0486 -5.0298 -5.0296 -0.8646 -0.8632 0.3021 0.3033 3.9522 3.9536 6.0133 6.0151 10.4983 10.4996 10.7360 10.7366 13.4456 13.4466 k = 0.1036 0.5646 0.4392 ( 3332 PWs) bands (ev): -47.6738 -47.6738 -24.2657 -24.2656 -19.9997 -19.9996 -19.7222 -19.7196 -19.5571 -19.5552 -19.5263 -19.5257 -7.2423 -7.2422 -5.9674 -5.9664 -5.0530 -5.0518 -5.0302 -5.0300 -0.8579 -0.8564 0.3038 0.3051 3.9500 3.9515 6.0180 6.0200 10.5056 10.5070 10.7517 10.7524 13.4070 13.4081 k = 0.1139 0.5706 0.4332 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2654 -24.2653 -20.0026 -20.0026 -19.7215 -19.7186 -19.5565 -19.5543 -19.5258 -19.5252 -7.2432 -7.2431 -5.9639 -5.9628 -5.0567 -5.0554 -5.0306 -5.0304 -0.8506 -0.8490 0.3057 0.3071 3.9478 3.9494 6.0233 6.0254 10.5136 10.5151 10.7690 10.7696 13.3649 13.3661 k = 0.1243 0.5765 0.4272 ( 3326 PWs) bands (ev): -47.6738 -47.6738 -24.2650 -24.2650 -20.0058 -20.0058 -19.7207 -19.7175 -19.5559 -19.5533 -19.5252 -19.5247 -7.2441 -7.2441 -5.9601 -5.9589 -5.0607 -5.0593 -5.0311 -5.0308 -0.8428 -0.8410 0.3077 0.3093 3.9454 3.9472 6.0290 6.0313 10.5223 10.5238 10.7877 10.7883 13.3193 13.3207 k = 0.1346 0.5824 0.4212 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2647 -24.2646 -20.0091 -20.0091 -19.7199 -19.7165 -19.5553 -19.5524 -19.5245 -19.5241 -7.2452 -7.2452 -5.9560 -5.9547 -5.0651 -5.0636 -5.0315 -5.0312 -0.8345 -0.8326 0.3100 0.3117 3.9430 3.9449 6.0353 6.0378 10.5315 10.5330 10.8077 10.8083 13.2703 13.2717 k = 0.1450 0.5883 0.4152 ( 3327 PWs) bands (ev): -47.6738 -47.6738 -24.2644 -24.2643 -20.0126 -20.0126 -19.7191 -19.7155 -19.5547 -19.5515 -19.5237 -19.5234 -7.2463 -7.2463 -5.9516 -5.9502 -5.0697 -5.0682 -5.0319 -5.0316 -0.8257 -0.8237 0.3124 0.3142 3.9406 3.9426 6.0421 6.0448 10.5413 10.5429 10.8290 10.8296 13.2180 13.2194 k = 0.1553 0.5942 0.4092 ( 3331 PWs) bands (ev): -47.6738 -47.6738 -24.2640 -24.2640 -20.0162 -20.0162 -19.7183 -19.7144 -19.5542 -19.5506 -19.5228 -19.5226 -7.2475 -7.2475 -5.9469 -5.9454 -5.0747 -5.0730 -5.0324 -5.0320 -0.8165 -0.8143 0.3151 0.3171 3.9381 3.9402 6.0495 6.0522 10.5515 10.5532 10.8516 10.8522 13.1622 13.1637 k = 0.1657 0.6002 0.4032 ( 3329 PWs) bands (ev): -47.6738 -47.6738 -24.2637 -24.2636 -20.0200 -20.0199 -19.7174 -19.7133 -19.5537 -19.5497 -19.5217 -19.5217 -7.2488 -7.2487 -5.9420 -5.9404 -5.0798 -5.0781 -5.0328 -5.0325 -0.8069 -0.8046 0.3181 0.3201 3.9357 3.9379 6.0574 6.0603 10.5622 10.5639 10.8755 10.8760 13.1030 13.1046 k = 0.1761 0.6061 0.3972 ( 3329 PWs) bands (ev): -47.6739 -47.6739 -24.2633 -24.2632 -20.0238 -20.0238 -19.7166 -19.7123 -19.5533 -19.5489 -19.5207 -19.5205 -7.2501 -7.2501 -5.9367 -5.9351 -5.0853 -5.0834 -5.0333 -5.0329 -0.7970 -0.7946 0.3212 0.3233 3.9334 3.9357 6.0658 6.0688 10.5733 10.5750 10.9004 10.9010 13.0405 13.0421 k = 0.1864 0.6120 0.3912 ( 3333 PWs) bands (ev): -47.6739 -47.6739 -24.2630 -24.2629 -20.0277 -20.0277 -19.7157 -19.7113 -19.5529 -19.5482 -19.5196 -19.5192 -7.2516 -7.2515 -5.9312 -5.9295 -5.0909 -5.0890 -5.0338 -5.0334 -0.7868 -0.7843 0.3246 0.3268 3.9311 3.9335 6.0747 6.0778 10.5846 10.5863 10.9266 10.9271 12.9746 12.9762 k = 0.1968 0.6179 0.3852 ( 3333 PWs) bands (ev): -47.6739 -47.6739 -24.2626 -24.2625 -20.0317 -20.0317 -19.7149 -19.7102 -19.5525 -19.5475 -19.5183 -19.5179 -7.2530 -7.2529 -5.9255 -5.9237 -5.0967 -5.0947 -5.0342 -5.0338 -0.7763 -0.7737 0.3281 0.3304 3.9289 3.9313 6.0842 6.0874 10.5962 10.5979 10.9538 10.9544 12.9054 12.9069 k = 0.2071 0.6239 0.3792 ( 3332 PWs) bands (ev): -47.6739 -47.6739 -24.2623 -24.2622 -20.0357 -20.0357 -19.7140 -19.7092 -19.5522 -19.5468 -19.5170 -19.5164 -7.2546 -7.2545 -5.9195 -5.9177 -5.1027 -5.1006 -5.0348 -5.0343 -0.7657 -0.7629 0.3319 0.3343 3.9268 3.9293 6.0941 6.0975 10.6079 10.6096 10.9821 10.9827 12.8328 12.8343 k = 0.2175 0.6298 0.3732 ( 3333 PWs) bands (ev): -47.6739 -47.6739 -24.2619 -24.2618 -20.0398 -20.0398 -19.7131 -19.7082 -19.5519 -19.5463 -19.5156 -19.5148 -7.2562 -7.2561 -5.9133 -5.9115 -5.1087 -5.1067 -5.0353 -5.0348 -0.7549 -0.7520 0.3359 0.3384 3.9248 3.9274 6.1046 6.1080 10.6196 10.6213 11.0115 11.0121 12.7570 12.7584 k = 0.2278 0.6357 0.3672 ( 3337 PWs) bands (ev): -47.6739 -47.6739 -24.2616 -24.2615 -20.0438 -20.0438 -19.7123 -19.7072 -19.5517 -19.5458 -19.5140 -19.5132 -7.2579 -7.2577 -5.9069 -5.9051 -5.1149 -5.1128 -5.0358 -5.0354 -0.7439 -0.7410 0.3400 0.3426 3.9230 3.9256 6.1155 6.1190 10.6312 10.6330 11.0419 11.0426 12.6780 12.6793 k = 0.2382 0.6416 0.3612 ( 3337 PWs) bands (ev): -47.6739 -47.6739 -24.2613 -24.2612 -20.0479 -20.0479 -19.7115 -19.7062 -19.5515 -19.5453 -19.5124 -19.5115 -7.2596 -7.2594 -5.9003 -5.8984 -5.1211 -5.1190 -5.0364 -5.0359 -0.7330 -0.7300 0.3444 0.3470 3.9213 3.9240 6.1269 6.1305 10.6426 10.6445 11.0732 11.0741 12.5960 12.5972 k = 0.2486 0.6476 0.3552 ( 3343 PWs) bands (ev): -47.6740 -47.6740 -24.2610 -24.2609 -20.0519 -20.0519 -19.7107 -19.7053 -19.5513 -19.5450 -19.5108 -19.5098 -7.2614 -7.2612 -5.8936 -5.8917 -5.1274 -5.1252 -5.0369 -5.0365 -0.7220 -0.7189 0.3489 0.3516 3.9197 3.9225 6.1388 6.1423 10.6538 10.6557 11.1056 11.1065 12.5112 12.5122 k = 0.2589 0.6535 0.3492 ( 3343 PWs) bands (ev): -47.6740 -47.6740 -24.2608 -24.2607 -20.0560 -20.0560 -19.7098 -19.7044 -19.5511 -19.5446 -19.5090 -19.5080 -7.2633 -7.2631 -5.8867 -5.8847 -5.1336 -5.1314 -5.0375 -5.0370 -0.7110 -0.7079 0.3535 0.3563 3.9183 3.9211 6.1510 6.1546 10.6646 10.6665 11.1388 11.1399 12.4237 12.4245 k = 0.2693 0.6594 0.3432 ( 3341 PWs) bands (ev): -47.6740 -47.6740 -24.2605 -24.2604 -20.0599 -20.0599 -19.7090 -19.7035 -19.5508 -19.5443 -19.5072 -19.5061 -7.2652 -7.2650 -5.8796 -5.8776 -5.1398 -5.1375 -5.0381 -5.0376 -0.7001 -0.6969 0.3583 0.3612 3.9171 3.9199 6.1637 6.1673 10.6749 10.6769 11.1730 11.1742 12.3340 12.3346 k = 0.2796 0.6653 0.3372 ( 3338 PWs) bands (ev): -47.6740 -47.6740 -24.2603 -24.2602 -20.0638 -20.0638 -19.7082 -19.7026 -19.5506 -19.5440 -19.5054 -19.5043 -7.2672 -7.2669 -5.8724 -5.8704 -5.1458 -5.1436 -5.0387 -5.0382 -0.6893 -0.6860 0.3632 0.3661 3.9160 3.9188 6.1767 6.1804 10.6846 10.6866 11.2078 11.2093 12.2424 12.2427 k = 0.2900 0.6712 0.3312 ( 3340 PWs) bands (ev): -47.6740 -47.6740 -24.2602 -24.2601 -20.0677 -20.0677 -19.7074 -19.7018 -19.5504 -19.5437 -19.5036 -19.5024 -7.2692 -7.2690 -5.8651 -5.8631 -5.1518 -5.1495 -5.0393 -5.0388 -0.6786 -0.6753 0.3681 0.3710 3.9150 3.9179 6.1901 6.1937 10.6935 10.6957 11.2432 11.2450 12.1494 12.1494 k = 0.3003 0.6772 0.3252 ( 3336 PWs) bands (ev): -47.6740 -47.6740 -24.2600 -24.2599 -20.0714 -20.0714 -19.7066 -19.7009 -19.5502 -19.5435 -19.5017 -19.5005 -7.2713 -7.2711 -5.8576 -5.8557 -5.1576 -5.1553 -5.0399 -5.0394 -0.6681 -0.6648 0.3730 0.3760 3.9142 3.9170 6.2037 6.2074 10.7017 10.7039 11.2788 11.2810 12.0554 12.0558 k = 0.3107 0.6831 0.3192 ( 3339 PWs) bands (ev): -47.6741 -47.6741 -24.2599 -24.2598 -20.0751 -20.0751 -19.7058 -19.7002 -19.5500 -19.5433 -19.4998 -19.4987 -7.2735 -7.2733 -5.8501 -5.8482 -5.1631 -5.1609 -5.0405 -5.0400 -0.6578 -0.6544 0.3780 0.3809 3.9134 3.9162 6.2177 6.2213 10.7089 10.7112 11.3139 11.3165 11.9617 11.9627 k = 0.3211 0.6890 0.3132 ( 3343 PWs) bands (ev): -47.6741 -47.6741 -24.2599 -24.2598 -20.0786 -20.0786 -19.7051 -19.6994 -19.5498 -19.5431 -19.4980 -19.4969 -7.2758 -7.2755 -5.8425 -5.8406 -5.1685 -5.1662 -5.0412 -5.0407 -0.6476 -0.6443 0.3828 0.3858 3.9127 3.9156 6.2318 6.2354 10.7150 10.7173 11.3471 11.3503 11.8702 11.8718 k = 0.3314 0.6949 0.3072 ( 3343 PWs) bands (ev): -47.6741 -47.6741 -24.2599 -24.2598 -20.0821 -20.0821 -19.7043 -19.6987 -19.5495 -19.5429 -19.4962 -19.4951 -7.2781 -7.2778 -5.8348 -5.8329 -5.1735 -5.1713 -5.0419 -5.0414 -0.6378 -0.6344 0.3876 0.3906 3.9121 3.9149 6.2462 6.2497 10.7198 10.7222 11.3753 11.3794 11.7844 11.7869 k = 0.3418 0.7009 0.3012 ( 3341 PWs) bands (ev): -47.6741 -47.6741 -24.2599 -24.2598 -20.0854 -20.0854 -19.7035 -19.6979 -19.5493 -19.5426 -19.4944 -19.4933 -7.2805 -7.2802 -5.8270 -5.8252 -5.1782 -5.1761 -5.0425 -5.0420 -0.6281 -0.6248 0.3923 0.3953 3.9115 3.9143 6.2607 6.2642 10.7231 10.7255 11.3914 11.3965 11.7119 11.7155 k = 0.3521 0.7068 0.2952 ( 3345 PWs) bands (ev): -47.6741 -47.6741 -24.2600 -24.2599 -20.0886 -20.0886 -19.7028 -19.6972 -19.5490 -19.5425 -19.4927 -19.4916 -7.2830 -7.2827 -5.8192 -5.8174 -5.1827 -5.1805 -5.0432 -5.0427 -0.6188 -0.6154 0.3967 0.3997 3.9109 3.9137 6.2753 6.2788 10.7244 10.7269 11.3823 11.3879 11.6673 11.6715 k = 0.3521 0.7068 0.2952 ( 3345 PWs) bands (ev): -47.6741 -47.6741 -24.2600 -24.2599 -20.0886 -20.0886 -19.7028 -19.6972 -19.5490 -19.5425 -19.4927 -19.4916 -7.2830 -7.2827 -5.8192 -5.8174 -5.1827 -5.1805 -5.0432 -5.0427 -0.6188 -0.6154 0.3967 0.3997 3.9109 3.9137 6.2753 6.2788 10.7244 10.7269 11.3823 11.3879 11.6673 11.6715 k = 0.3576 0.7021 0.2843 ( 3337 PWs) bands (ev): -47.6742 -47.6742 -24.2603 -24.2602 -20.0943 -20.0943 -19.7014 -19.6960 -19.5484 -19.5420 -19.4895 -19.4885 -7.2877 -7.2874 -5.8046 -5.8029 -5.1903 -5.1883 -5.0445 -5.0440 -0.6019 -0.5985 0.4046 0.4076 3.9096 3.9124 6.3023 6.3056 10.7226 10.7251 11.3334 11.3388 11.6227 11.6267 k = 0.3631 0.6973 0.2734 ( 3321 PWs) bands (ev): -47.6742 -47.6742 -24.2605 -24.2604 -20.0998 -20.0998 -19.6999 -19.6947 -19.5477 -19.5416 -19.4863 -19.4853 -7.2924 -7.2921 -5.7896 -5.7880 -5.1979 -5.1959 -5.0458 -5.0453 -0.5846 -0.5814 0.4122 0.4151 3.9080 3.9107 6.3297 6.3329 10.7164 10.7190 11.2826 11.2878 11.5818 11.5856 k = 0.3686 0.6926 0.2624 ( 3325 PWs) bands (ev): -47.6742 -47.6742 -24.2608 -24.2607 -20.1053 -20.1053 -19.6986 -19.6935 -19.5472 -19.5412 -19.4832 -19.4823 -7.2972 -7.2968 -5.7743 -5.7729 -5.2053 -5.2035 -5.0471 -5.0466 -0.5675 -0.5642 0.4195 0.4224 3.9060 3.9086 6.3575 6.3605 10.7057 10.7082 11.2313 11.2361 11.5438 11.5473 k = 0.3740 0.6879 0.2515 ( 3321 PWs) bands (ev): -47.6743 -47.6743 -24.2611 -24.2610 -20.1107 -20.1107 -19.6973 -19.6924 -19.5466 -19.5409 -19.4801 -19.4792 -7.3020 -7.3016 -5.7588 -5.7574 -5.2126 -5.2109 -5.0484 -5.0479 -0.5502 -0.5470 0.4265 0.4293 3.9037 3.9062 6.3854 6.3884 10.6902 10.6927 11.1808 11.1851 11.5083 11.5115 k = 0.3795 0.6831 0.2406 ( 3317 PWs) bands (ev): -47.6743 -47.6743 -24.2615 -24.2614 -20.1159 -20.1159 -19.6961 -19.6913 -19.5461 -19.5405 -19.4771 -19.4762 -7.3068 -7.3065 -5.7432 -5.7419 -5.2197 -5.2181 -5.0496 -5.0492 -0.5330 -0.5298 0.4332 0.4360 3.9011 3.9036 6.4136 6.4164 10.6698 10.6721 11.1324 11.1363 11.4747 11.4775 k = 0.3850 0.6784 0.2296 ( 3316 PWs) bands (ev): -47.6743 -47.6743 -24.2618 -24.2617 -20.1209 -20.1209 -19.6948 -19.6902 -19.5455 -19.5402 -19.4741 -19.4733 -7.3116 -7.3113 -5.7274 -5.7262 -5.2267 -5.2251 -5.0509 -5.0505 -0.5159 -0.5128 0.4397 0.4424 3.8983 3.9007 6.4417 6.4444 10.6442 10.6464 11.0872 11.0906 11.4427 11.4453 k = 0.3905 0.6737 0.2187 ( 3312 PWs) bands (ev): -47.6744 -47.6744 -24.2622 -24.2621 -20.1259 -20.1259 -19.6937 -19.6892 -19.5450 -19.5399 -19.4711 -19.4704 -7.3164 -7.3160 -5.7117 -5.7106 -5.2334 -5.2320 -5.0522 -5.0518 -0.4990 -0.4959 0.4458 0.4485 3.8953 3.8976 6.4698 6.4723 10.6135 10.6155 11.0458 11.0488 11.4122 11.4146 k = 0.3959 0.6689 0.2078 ( 3312 PWs) bands (ev): -47.6744 -47.6744 -24.2626 -24.2625 -20.1306 -20.1306 -19.6925 -19.6883 -19.5444 -19.5396 -19.4683 -19.4676 -7.3211 -7.3207 -5.6960 -5.6950 -5.2400 -5.2387 -5.0534 -5.0530 -0.4822 -0.4793 0.4517 0.4543 3.8921 3.8943 6.4976 6.5000 10.5781 10.5799 11.0086 11.0111 11.3832 11.3853 k = 0.4014 0.6642 0.1968 ( 3312 PWs) bands (ev): -47.6745 -47.6745 -24.2630 -24.2629 -20.1352 -20.1352 -19.6914 -19.6874 -19.5439 -19.5393 -19.4656 -19.4650 -7.3257 -7.3253 -5.6806 -5.6796 -5.2463 -5.2451 -5.0546 -5.0542 -0.4659 -0.4630 0.4573 0.4598 3.8888 3.8909 6.5251 6.5274 10.5387 10.5403 10.9754 10.9775 11.3556 11.3575 k = 0.4069 0.6595 0.1859 ( 3316 PWs) bands (ev): -47.6745 -47.6745 -24.2633 -24.2633 -20.1396 -20.1396 -19.6904 -19.6866 -19.5435 -19.5391 -19.4629 -19.4624 -7.3302 -7.3298 -5.6654 -5.6645 -5.2524 -5.2513 -5.0558 -5.0554 -0.4499 -0.4471 0.4625 0.4650 3.8853 3.8874 6.5522 6.5543 10.4962 10.4976 10.9458 10.9476 11.3295 11.3313 k = 0.4124 0.6548 0.1750 ( 3312 PWs) bands (ev): -47.6745 -47.6745 -24.2637 -24.2636 -20.1437 -20.1437 -19.6894 -19.6857 -19.5429 -19.5388 -19.4604 -19.4599 -7.3345 -7.3342 -5.6505 -5.6498 -5.2582 -5.2572 -5.0569 -5.0565 -0.4343 -0.4317 0.4675 0.4699 3.8819 3.8838 6.5787 6.5807 10.4517 10.4529 10.9194 10.9208 11.3050 11.3066 k = 0.4178 0.6500 0.1640 ( 3312 PWs) bands (ev): -47.6746 -47.6746 -24.2641 -24.2640 -20.1477 -20.1477 -19.6885 -19.6850 -19.5425 -19.5386 -19.4580 -19.4575 -7.3387 -7.3384 -5.6361 -5.6354 -5.2638 -5.2628 -5.0580 -5.0576 -0.4193 -0.4168 0.4721 0.4744 3.8784 3.8802 6.6044 6.6063 10.4061 10.4072 10.8955 10.8966 11.2821 11.2835 k = 0.4233 0.6453 0.1531 ( 3310 PWs) bands (ev): -47.6746 -47.6746 -24.2645 -24.2644 -20.1515 -20.1515 -19.6876 -19.6843 -19.5420 -19.5383 -19.4557 -19.4552 -7.3428 -7.3424 -5.6221 -5.6215 -5.2690 -5.2682 -5.0590 -5.0587 -0.4049 -0.4025 0.4765 0.4787 3.8749 3.8767 6.6294 6.6311 10.3604 10.3613 10.8737 10.8746 11.2608 11.2622 k = 0.4288 0.6406 0.1422 ( 3314 PWs) bands (ev): -47.6747 -47.6747 -24.2648 -24.2648 -20.1551 -20.1551 -19.6867 -19.6837 -19.5415 -19.5381 -19.4535 -19.4531 -7.3466 -7.3463 -5.6088 -5.6083 -5.2740 -5.2733 -5.0600 -5.0597 -0.3911 -0.3888 0.4806 0.4827 3.8715 3.8731 6.6533 6.6549 10.3153 10.3162 10.8536 10.8544 11.2413 11.2425 k = 0.4343 0.6358 0.1312 ( 3314 PWs) bands (ev): -47.6747 -47.6747 -24.2652 -24.2651 -20.1584 -20.1584 -19.6859 -19.6831 -19.5411 -19.5379 -19.4515 -19.4511 -7.3502 -7.3499 -5.5961 -5.5956 -5.2787 -5.2780 -5.0609 -5.0606 -0.3781 -0.3759 0.4844 0.4863 3.8681 3.8697 6.6762 6.6777 10.2716 10.2724 10.8350 10.8356 11.2234 11.2245 k = 0.4398 0.6311 0.1203 ( 3310 PWs) bands (ev): -47.6747 -47.6747 -24.2655 -24.2654 -20.1614 -20.1614 -19.6852 -19.6826 -19.5406 -19.5378 -19.4496 -19.4492 -7.3536 -7.3533 -5.5841 -5.5837 -5.2830 -5.2824 -5.0618 -5.0615 -0.3658 -0.3638 0.4879 0.4897 3.8649 3.8663 6.6978 6.6992 10.2299 10.2305 10.8177 10.8182 11.2072 11.2082 k = 0.4452 0.6264 0.1094 ( 3310 PWs) bands (ev): -47.6747 -47.6747 -24.2658 -24.2658 -20.1642 -20.1642 -19.6845 -19.6821 -19.5402 -19.5376 -19.4478 -19.4475 -7.3568 -7.3565 -5.5729 -5.5726 -5.2869 -5.2864 -5.0625 -5.0623 -0.3544 -0.3525 0.4910 0.4927 3.8619 3.8631 6.7181 6.7193 10.1905 10.1911 10.8017 10.8021 11.1926 11.1935 k = 0.4507 0.6217 0.0984 ( 3302 PWs) bands (ev): -47.6748 -47.6748 -24.2661 -24.2660 -20.1668 -20.1668 -19.6838 -19.6817 -19.5398 -19.5375 -19.4462 -19.4459 -7.3596 -7.3594 -5.5626 -5.5623 -5.2906 -5.2901 -5.0633 -5.0630 -0.3439 -0.3421 0.4939 0.4955 3.8590 3.8602 6.7369 6.7380 10.1538 10.1544 10.7869 10.7873 11.1797 11.1805 k = 0.4562 0.6169 0.0875 ( 3302 PWs) bands (ev): -47.6748 -47.6748 -24.2663 -24.2663 -20.1691 -20.1691 -19.6832 -19.6813 -19.5395 -19.5374 -19.4448 -19.4445 -7.3623 -7.3620 -5.5532 -5.5530 -5.2939 -5.2935 -5.0639 -5.0637 -0.3343 -0.3327 0.4965 0.4979 3.8563 3.8574 6.7541 6.7550 10.1203 10.1208 10.7735 10.7738 11.1683 11.1690 k = 0.4617 0.6122 0.0765 ( 3302 PWs) bands (ev): -47.6748 -47.6748 -24.2666 -24.2665 -20.1711 -20.1711 -19.6827 -19.6810 -19.5391 -19.5373 -19.4435 -19.4433 -7.3646 -7.3644 -5.5447 -5.5446 -5.2968 -5.2965 -5.0645 -5.0643 -0.3257 -0.3243 0.4988 0.5000 3.8539 3.8549 6.7696 6.7704 10.0901 10.0905 10.7613 10.7616 11.1585 11.1591 k = 0.4671 0.6075 0.0656 ( 3302 PWs) bands (ev): -47.6748 -47.6748 -24.2668 -24.2668 -20.1729 -20.1729 -19.6822 -19.6808 -19.5388 -19.5372 -19.4424 -19.4422 -7.3667 -7.3665 -5.5373 -5.5372 -5.2993 -5.2991 -5.0650 -5.0649 -0.3182 -0.3170 0.5008 0.5019 3.8518 3.8526 6.7832 6.7839 10.0636 10.0639 10.7506 10.7509 11.1501 11.1506 k = 0.4726 0.6027 0.0547 ( 3306 PWs) bands (ev): -47.6748 -47.6748 -24.2670 -24.2669 -20.1744 -20.1744 -19.6818 -19.6806 -19.5385 -19.5372 -19.4414 -19.4413 -7.3684 -7.3683 -5.5310 -5.5309 -5.3015 -5.3013 -5.0654 -5.0653 -0.3117 -0.3107 0.5025 0.5034 3.8500 3.8506 6.7949 6.7955 10.0408 10.0411 10.7414 10.7416 11.1431 11.1435 k = 0.4781 0.5980 0.0437 ( 3310 PWs) bands (ev): -47.6749 -47.6749 -24.2671 -24.2671 -20.1757 -20.1757 -19.6815 -19.6805 -19.5383 -19.5372 -19.4407 -19.4405 -7.3698 -7.3697 -5.5258 -5.5257 -5.3033 -5.3031 -5.0658 -5.0657 -0.3064 -0.3056 0.5039 0.5046 3.8485 3.8490 6.8047 6.8051 10.0219 10.0222 10.7338 10.7339 11.1374 11.1377 k = 0.4836 0.5933 0.0328 ( 3302 PWs) bands (ev): -47.6749 -47.6749 -24.2672 -24.2672 -20.1766 -20.1766 -19.6811 -19.6804 -19.5380 -19.5372 -19.4400 -19.4399 -7.3710 -7.3709 -5.5216 -5.5216 -5.3046 -5.3045 -5.0661 -5.0660 -0.3022 -0.3016 0.5050 0.5056 3.8473 3.8477 6.8123 6.8127 10.0072 10.0073 10.7277 10.7279 11.1331 11.1333 k = 0.4890 0.5886 0.0219 ( 3302 PWs) bands (ev): -47.6749 -47.6749 -24.2673 -24.2673 -20.1773 -20.1773 -19.6808 -19.6803 -19.5378 -19.5373 -19.4396 -19.4395 -7.3718 -7.3717 -5.5187 -5.5187 -5.3056 -5.3055 -5.0662 -5.0662 -0.2991 -0.2987 0.5058 0.5062 3.8465 3.8467 6.8179 6.8181 9.9966 9.9967 10.7234 10.7235 11.1300 11.1302 k = 0.4945 0.5838 0.0109 ( 3304 PWs) bands (ev): -47.6749 -47.6749 -24.2674 -24.2674 -20.1778 -20.1778 -19.6806 -19.6804 -19.5376 -19.5374 -19.4393 -19.4393 -7.3722 -7.3722 -5.5169 -5.5169 -5.3062 -5.3062 -5.0664 -5.0663 -0.2972 -0.2970 0.5063 0.5065 3.8460 3.8461 6.8212 6.8214 9.9902 9.9902 10.7208 10.7208 11.1282 11.1283 k = 0.5000 0.5791-0.0000 ( 3300 PWs) bands (ev): -47.6749 -47.6749 -24.2674 -24.2674 -20.1779 -20.1779 -19.6805 -19.6805 -19.5375 -19.5375 -19.4392 -19.4392 -7.3724 -7.3724 -5.5163 -5.5163 -5.3064 -5.3064 -5.0664 -5.0664 -0.2965 -0.2965 0.5066 0.5066 3.8459 3.8459 6.8224 6.8224 9.9881 9.9881 10.7199 10.7199 11.1276 11.1276 k = 0.5000 0.5791-0.0000 ( 3300 PWs) bands (ev): -47.6749 -47.6749 -24.2674 -24.2674 -20.1779 -20.1779 -19.6805 -19.6805 -19.5375 -19.5375 -19.4392 -19.4392 -7.3724 -7.3724 -5.5163 -5.5163 -5.3064 -5.3064 -5.0664 -5.0664 -0.2965 -0.2965 0.5066 0.5066 3.8459 3.8459 6.8224 6.8224 9.9881 9.9881 10.7199 10.7199 11.1276 11.1276 k = 0.4912 0.5689-0.0000 ( 3306 PWs) bands (ev): -47.6749 -47.6749 -24.2674 -24.2674 -20.1778 -20.1778 -19.6805 -19.6805 -19.5375 -19.5375 -19.4393 -19.4393 -7.3724 -7.3724 -5.5162 -5.5162 -5.3061 -5.3061 -5.0664 -5.0664 -0.2967 -0.2967 0.5061 0.5061 3.8456 3.8456 6.8222 6.8222 9.9812 9.9812 10.7146 10.7146 11.1424 11.1424 k = 0.4825 0.5588-0.0000 ( 3306 PWs) bands (ev): -47.6749 -47.6749 -24.2676 -24.2676 -20.1775 -20.1775 -19.6805 -19.6805 -19.5374 -19.5374 -19.4394 -19.4394 -7.3727 -7.3727 -5.5159 -5.5159 -5.3053 -5.3053 -5.0665 -5.0665 -0.2973 -0.2973 0.5046 0.5046 3.8449 3.8449 6.8215 6.8215 9.9608 9.9608 10.7016 10.7016 11.1835 11.1835 k = 0.4737 0.5486-0.0000 ( 3310 PWs) bands (ev): -47.6749 -47.6749 -24.2678 -24.2678 -20.1769 -20.1769 -19.6805 -19.6805 -19.5374 -19.5374 -19.4397 -19.4397 -7.3730 -7.3730 -5.5153 -5.5153 -5.3040 -5.3040 -5.0665 -5.0665 -0.2983 -0.2983 0.5021 0.5021 3.8437 3.8437 6.8204 6.8204 9.9279 9.9279 10.6865 10.6865 11.2444 11.2444 k = 0.4649 0.5385-0.0000 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2681 -24.2681 -20.1762 -20.1762 -19.6804 -19.6804 -19.5373 -19.5373 -19.4400 -19.4400 -7.3735 -7.3735 -5.5144 -5.5144 -5.3021 -5.3021 -5.0667 -5.0667 -0.2997 -0.2997 0.4986 0.4986 3.8421 3.8421 6.8188 6.8188 9.8840 9.8840 10.6736 10.6736 11.3192 11.3192 k = 0.4561 0.5283-0.0000 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2685 -24.2685 -20.1752 -20.1752 -19.6804 -19.6804 -19.5371 -19.5371 -19.4404 -19.4404 -7.3741 -7.3741 -5.5133 -5.5133 -5.2997 -5.2997 -5.0668 -5.0668 -0.3015 -0.3015 0.4942 0.4942 3.8399 3.8399 6.8168 6.8168 9.8309 9.8309 10.6652 10.6652 11.4038 11.4038 k = 0.4474 0.5181-0.0000 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2689 -24.2689 -20.1740 -20.1740 -19.6803 -19.6803 -19.5370 -19.5370 -19.4409 -19.4409 -7.3748 -7.3748 -5.5120 -5.5120 -5.2967 -5.2967 -5.0670 -5.0670 -0.3036 -0.3036 0.4888 0.4888 3.8372 3.8372 6.8143 6.8143 9.7707 9.7707 10.6620 10.6620 11.4955 11.4955 k = 0.4386 0.5080-0.0000 ( 3316 PWs) bands (ev): -47.6749 -47.6749 -24.2695 -24.2695 -20.1726 -20.1726 -19.6803 -19.6803 -19.5368 -19.5368 -19.4415 -19.4415 -7.3756 -7.3756 -5.5104 -5.5104 -5.2933 -5.2933 -5.0672 -5.0672 -0.3061 -0.3061 0.4825 0.4825 3.8340 3.8340 6.8115 6.8115 9.7052 9.7052 10.6638 10.6638 11.5925 11.5925 k = 0.4298 0.4978-0.0000 ( 3316 PWs) bands (ev): -47.6749 -47.6749 -24.2701 -24.2701 -20.1711 -20.1711 -19.6802 -19.6802 -19.5365 -19.5365 -19.4422 -19.4422 -7.3765 -7.3765 -5.5086 -5.5086 -5.2894 -5.2894 -5.0675 -5.0675 -0.3090 -0.3090 0.4752 0.4752 3.8302 3.8302 6.8082 6.8082 9.6360 9.6360 10.6703 10.6703 11.6762 11.6762 k = 0.4211 0.4877-0.0000 ( 3316 PWs) bands (ev): -47.6749 -47.6749 -24.2708 -24.2708 -20.1693 -20.1693 -19.6801 -19.6801 -19.5363 -19.5363 -19.4430 -19.4430 -7.3774 -7.3774 -5.5066 -5.5066 -5.2850 -5.2850 -5.0677 -5.0677 -0.3122 -0.3122 0.4671 0.4671 3.8258 3.8258 6.8045 6.8045 9.5642 9.5642 10.6811 10.6811 11.7033 11.7033 k = 0.4123 0.4775-0.0000 ( 3320 PWs) bands (ev): -47.6749 -47.6749 -24.2716 -24.2716 -20.1673 -20.1673 -19.6801 -19.6801 -19.5360 -19.5360 -19.4438 -19.4438 -7.3784 -7.3784 -5.5044 -5.5044 -5.2802 -5.2802 -5.0680 -5.0680 -0.3158 -0.3158 0.4581 0.4581 3.8208 3.8208 6.8005 6.8005 9.4911 9.4911 10.6958 10.6958 11.7333 11.7333 k = 0.4035 0.4673-0.0000 ( 3320 PWs) bands (ev): -47.6749 -47.6749 -24.2724 -24.2724 -20.1652 -20.1652 -19.6800 -19.6800 -19.5358 -19.5358 -19.4447 -19.4447 -7.3795 -7.3795 -5.5019 -5.5019 -5.2749 -5.2749 -5.0684 -5.0684 -0.3197 -0.3197 0.4483 0.4483 3.8152 3.8152 6.7960 6.7960 9.4173 9.4173 10.7139 10.7139 11.7662 11.7662 k = 0.3947 0.4572-0.0000 ( 3316 PWs) bands (ev): -47.6749 -47.6749 -24.2733 -24.2733 -20.1628 -20.1628 -19.6799 -19.6799 -19.5354 -19.5354 -19.4457 -19.4457 -7.3805 -7.3805 -5.4993 -5.4993 -5.2692 -5.2692 -5.0687 -5.0687 -0.3239 -0.3239 0.4377 0.4377 3.8089 3.8089 6.7912 6.7912 9.3436 9.3436 10.7352 10.7352 11.8020 11.8020 k = 0.3860 0.4470-0.0000 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2743 -24.2743 -20.1603 -20.1603 -19.6798 -19.6798 -19.5351 -19.5351 -19.4467 -19.4467 -7.3816 -7.3816 -5.4964 -5.4964 -5.2631 -5.2631 -5.0691 -5.0691 -0.3284 -0.3284 0.4264 0.4264 3.8020 3.8020 6.7861 6.7861 9.2703 9.2703 10.7596 10.7596 11.8408 11.8408 k = 0.3772 0.4369-0.0000 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2753 -24.2753 -20.1576 -20.1576 -19.6797 -19.6797 -19.5348 -19.5348 -19.4479 -19.4479 -7.3826 -7.3826 -5.4934 -5.4934 -5.2567 -5.2567 -5.0695 -5.0695 -0.3333 -0.3333 0.4143 0.4143 3.7943 3.7943 6.7806 6.7806 9.1979 9.1979 10.7869 10.7869 11.8824 11.8824 k = 0.3684 0.4267-0.0000 ( 3310 PWs) bands (ev): -47.6750 -47.6750 -24.2763 -24.2763 -20.1548 -20.1548 -19.6797 -19.6797 -19.5344 -19.5344 -19.4491 -19.4491 -7.3836 -7.3836 -5.4902 -5.4902 -5.2499 -5.2499 -5.0699 -5.0699 -0.3384 -0.3384 0.4015 0.4015 3.7858 3.7858 6.7749 6.7749 9.1268 9.1268 10.8169 10.8169 11.9268 11.9268 k = 0.3596 0.4165-0.0000 ( 3306 PWs) bands (ev): -47.6750 -47.6750 -24.2774 -24.2774 -20.1517 -20.1517 -19.6796 -19.6796 -19.5341 -19.5341 -19.4503 -19.4503 -7.3845 -7.3845 -5.4868 -5.4868 -5.2427 -5.2427 -5.0703 -5.0703 -0.3437 -0.3437 0.3881 0.3881 3.7766 3.7766 6.7688 6.7688 9.0571 9.0571 10.8496 10.8496 11.9739 11.9739 k = 0.3509 0.4064-0.0000 ( 3306 PWs) bands (ev): -47.6750 -47.6750 -24.2786 -24.2786 -20.1486 -20.1486 -19.6796 -19.6796 -19.5337 -19.5337 -19.4516 -19.4516 -7.3854 -7.3854 -5.4832 -5.4832 -5.2353 -5.2353 -5.0708 -5.0708 -0.3493 -0.3493 0.3741 0.3741 3.7665 3.7665 6.7625 6.7625 8.9890 8.9890 10.8848 10.8848 12.0236 12.0236 k = 0.3421 0.3962-0.0000 ( 3306 PWs) bands (ev): -47.6750 -47.6750 -24.2798 -24.2798 -20.1453 -20.1453 -19.6796 -19.6796 -19.5334 -19.5334 -19.4530 -19.4530 -7.3861 -7.3861 -5.4795 -5.4795 -5.2276 -5.2276 -5.0712 -5.0712 -0.3551 -0.3551 0.3595 0.3595 3.7557 3.7557 6.7559 6.7559 8.9229 8.9229 10.9225 10.9225 12.0759 12.0759 k = 0.3333 0.3861-0.0000 ( 3312 PWs) bands (ev): -47.6750 -47.6750 -24.2810 -24.2810 -20.1419 -20.1419 -19.6797 -19.6797 -19.5331 -19.5331 -19.4545 -19.4545 -7.3868 -7.3868 -5.4757 -5.4757 -5.2196 -5.2196 -5.0718 -5.0718 -0.3612 -0.3612 0.3445 0.3445 3.7439 3.7439 6.7491 6.7491 8.8587 8.8587 10.9627 10.9627 12.1307 12.1307 k = 0.3246 0.3759-0.0000 ( 3314 PWs) bands (ev): -47.6750 -47.6750 -24.2822 -24.2822 -20.1383 -20.1383 -19.6797 -19.6797 -19.5328 -19.5328 -19.4560 -19.4560 -7.3873 -7.3873 -5.4717 -5.4717 -5.2114 -5.2114 -5.0723 -5.0723 -0.3674 -0.3674 0.3290 0.3290 3.7313 3.7313 6.7421 6.7421 8.7966 8.7966 11.0053 11.0053 12.1879 12.1879 k = 0.3158 0.3657-0.0000 ( 3318 PWs) bands (ev): -47.6750 -47.6750 -24.2835 -24.2835 -20.1347 -20.1347 -19.6798 -19.6798 -19.5325 -19.5325 -19.4575 -19.4575 -7.3877 -7.3877 -5.4676 -5.4676 -5.2031 -5.2031 -5.0728 -5.0728 -0.3737 -0.3737 0.3130 0.3130 3.7178 3.7178 6.7350 6.7350 8.7367 8.7367 11.0502 11.0502 12.2475 12.2475 k = 0.3070 0.3556-0.0000 ( 3328 PWs) bands (ev): -47.6751 -47.6751 -24.2848 -24.2848 -20.1309 -20.1309 -19.6799 -19.6799 -19.5323 -19.5323 -19.4591 -19.4591 -7.3880 -7.3880 -5.4635 -5.4635 -5.1945 -5.1945 -5.0733 -5.0733 -0.3803 -0.3803 0.2968 0.2968 3.7035 3.7035 6.7276 6.7276 8.6791 8.6791 11.0974 11.0974 12.3093 12.3093 k = 0.2982 0.3454-0.0000 ( 3332 PWs) bands (ev): -47.6751 -47.6751 -24.2861 -24.2861 -20.1271 -20.1271 -19.6801 -19.6801 -19.5321 -19.5321 -19.4607 -19.4607 -7.3881 -7.3881 -5.4592 -5.4592 -5.1859 -5.1859 -5.0738 -5.0738 -0.3869 -0.3869 0.2802 0.2802 3.6883 3.6883 6.7202 6.7202 8.6238 8.6238 11.1469 11.1469 12.3733 12.3733 k = 0.2895 0.3353-0.0000 ( 3336 PWs) bands (ev): -47.6751 -47.6751 -24.2874 -24.2874 -20.1232 -20.1232 -19.6802 -19.6802 -19.5318 -19.5318 -19.4624 -19.4624 -7.3880 -7.3880 -5.4548 -5.4548 -5.1770 -5.1770 -5.0743 -5.0743 -0.3937 -0.3937 0.2634 0.2634 3.6723 3.6723 6.7126 6.7126 8.5710 8.5710 11.1985 11.1985 12.4393 12.4393 k = 0.2807 0.3251-0.0000 ( 3332 PWs) bands (ev): -47.6751 -47.6751 -24.2887 -24.2887 -20.1191 -20.1191 -19.6804 -19.6804 -19.5316 -19.5316 -19.4640 -19.4640 -7.3877 -7.3877 -5.4504 -5.4504 -5.1681 -5.1681 -5.0748 -5.0748 -0.4005 -0.4005 0.2464 0.2464 3.6554 3.6554 6.7050 6.7050 8.5205 8.5205 11.2524 11.2524 12.5074 12.5074 k = 0.2719 0.3150-0.0000 ( 3336 PWs) bands (ev): -47.6751 -47.6751 -24.2900 -24.2900 -20.1151 -20.1151 -19.6806 -19.6806 -19.5314 -19.5314 -19.4657 -19.4657 -7.3873 -7.3873 -5.4458 -5.4458 -5.1591 -5.1591 -5.0754 -5.0754 -0.4074 -0.4074 0.2293 0.2293 3.6378 3.6378 6.6973 6.6973 8.4726 8.4726 11.3083 11.3083 12.5773 12.5773 k = 0.2632 0.3048-0.0000 ( 3332 PWs) bands (ev): -47.6751 -47.6751 -24.2913 -24.2913 -20.1110 -20.1110 -19.6808 -19.6808 -19.5312 -19.5312 -19.4674 -19.4674 -7.3867 -7.3867 -5.4413 -5.4413 -5.1500 -5.1500 -5.0759 -5.0759 -0.4144 -0.4144 0.2121 0.2121 3.6193 3.6193 6.6896 6.6896 8.4271 8.4271 11.3663 11.3663 12.6489 12.6489 k = 0.2544 0.2946-0.0000 ( 3324 PWs) bands (ev): -47.6751 -47.6751 -24.2926 -24.2926 -20.1068 -20.1068 -19.6810 -19.6810 -19.5310 -19.5310 -19.4691 -19.4691 -7.3859 -7.3859 -5.4367 -5.4367 -5.1408 -5.1408 -5.0764 -5.0764 -0.4213 -0.4213 0.1949 0.1949 3.6002 3.6002 6.6818 6.6818 8.3840 8.3840 11.4264 11.4264 12.7223 12.7223 k = 0.2456 0.2845-0.0000 ( 3340 PWs) bands (ev): -47.6752 -47.6752 -24.2939 -24.2939 -20.1027 -20.1027 -19.6814 -19.6814 -19.5310 -19.5310 -19.4708 -19.4708 -7.3850 -7.3850 -5.4321 -5.4321 -5.1317 -5.1317 -5.0769 -5.0769 -0.4283 -0.4283 0.1776 0.1776 3.5803 3.5803 6.6740 6.6740 8.3434 8.3434 11.4883 11.4883 12.7972 12.7972 k = 0.2368 0.2743-0.0000 ( 3340 PWs) bands (ev): -47.6752 -47.6752 -24.2951 -24.2951 -20.0985 -20.0985 -19.6817 -19.6817 -19.5309 -19.5309 -19.4725 -19.4725 -7.3839 -7.3839 -5.4275 -5.4275 -5.1226 -5.1226 -5.0774 -5.0774 -0.4353 -0.4353 0.1604 0.1604 3.5599 3.5599 6.6663 6.6663 8.3053 8.3053 11.5522 11.5522 12.8736 12.8736 k = 0.2281 0.2642-0.0000 ( 3344 PWs) bands (ev): -47.6752 -47.6752 -24.2963 -24.2963 -20.0943 -20.0943 -19.6821 -19.6821 -19.5309 -19.5309 -19.4743 -19.4743 -7.3826 -7.3826 -5.4230 -5.4230 -5.1136 -5.1136 -5.0778 -5.0778 -0.4422 -0.4422 0.1433 0.1433 3.5389 3.5389 6.6587 6.6587 8.2695 8.2695 11.6179 11.6179 12.9513 12.9513 k = 0.2193 0.2540-0.0000 ( 3342 PWs) bands (ev): -47.6752 -47.6752 -24.2975 -24.2975 -20.0902 -20.0902 -19.6824 -19.6824 -19.5308 -19.5308 -19.4760 -19.4760 -7.3812 -7.3812 -5.4184 -5.4184 -5.1047 -5.1047 -5.0782 -5.0782 -0.4490 -0.4490 0.1264 0.1264 3.5175 3.5175 6.6511 6.6511 8.2361 8.2361 11.6854 11.6854 13.0302 13.0302 k = 0.2105 0.2438-0.0000 ( 3354 PWs) bands (ev): -47.6752 -47.6752 -24.2987 -24.2987 -20.0860 -20.0860 -19.6829 -19.6829 -19.5308 -19.5308 -19.4778 -19.4778 -7.3796 -7.3796 -5.4139 -5.4139 -5.0961 -5.0961 -5.0784 -5.0784 -0.4558 -0.4558 0.1097 0.1097 3.4957 3.4957 6.6436 6.6436 8.2049 8.2049 11.7545 11.7545 13.1103 13.1103 k = 0.2018 0.2337-0.0000 ( 3350 PWs) bands (ev): -47.6752 -47.6752 -24.2999 -24.2999 -20.0820 -20.0820 -19.6832 -19.6832 -19.5308 -19.5308 -19.4794 -19.4794 -7.3779 -7.3779 -5.4094 -5.4094 -5.0882 -5.0882 -5.0779 -5.0779 -0.4624 -0.4624 0.0934 0.0934 3.4736 3.4736 6.6362 6.6362 8.1760 8.1760 11.8253 11.8253 13.1913 13.1913 k = 0.1930 0.2235-0.0000 ( 3352 PWs) bands (ev): -47.6752 -47.6752 -24.3010 -24.3010 -20.0779 -20.0779 -19.6837 -19.6837 -19.5308 -19.5308 -19.4811 -19.4811 -7.3761 -7.3761 -5.4050 -5.4050 -5.0832 -5.0832 -5.0746 -5.0746 -0.4689 -0.4689 0.0773 0.0773 3.4513 3.4513 6.6291 6.6291 8.1493 8.1493 11.8976 11.8976 13.2732 13.2732 k = 0.1842 0.2134-0.0000 ( 3350 PWs) bands (ev): -47.6753 -47.6753 -24.3021 -24.3021 -20.0739 -20.0739 -19.6841 -19.6841 -19.5309 -19.5309 -19.4827 -19.4827 -7.3743 -7.3743 -5.4007 -5.4007 -5.0820 -5.0820 -5.0676 -5.0676 -0.4753 -0.4753 0.0615 0.0615 3.4289 3.4289 6.6220 6.6220 8.1247 8.1247 11.9714 11.9714 13.3559 13.3559 k = 0.1754 0.2032-0.0000 ( 3348 PWs) bands (ev): -47.6753 -47.6753 -24.3031 -24.3031 -20.0700 -20.0700 -19.6846 -19.6846 -19.5309 -19.5309 -19.4843 -19.4843 -7.3723 -7.3723 -5.3964 -5.3964 -5.0820 -5.0820 -5.0596 -5.0596 -0.4815 -0.4815 0.0462 0.0462 3.4066 3.4066 6.6152 6.6152 8.1020 8.1020 12.0466 12.0466 13.4392 13.4392 k = 0.1667 0.1930-0.0000 ( 3344 PWs) bands (ev): -47.6753 -47.6753 -24.3041 -24.3041 -20.0662 -20.0662 -19.6850 -19.6850 -19.5310 -19.5310 -19.4859 -19.4859 -7.3703 -7.3703 -5.3923 -5.3923 -5.0823 -5.0823 -5.0516 -5.0516 -0.4876 -0.4876 0.0314 0.0314 3.3844 3.3844 6.6085 6.6085 8.0813 8.0813 12.1230 12.1230 13.5230 13.5230 k = 0.1579 0.1829-0.0000 ( 3348 PWs) bands (ev): -47.6753 -47.6753 -24.3050 -24.3050 -20.0625 -20.0625 -19.6855 -19.6855 -19.5311 -19.5311 -19.4874 -19.4874 -7.3682 -7.3682 -5.3883 -5.3883 -5.0826 -5.0826 -5.0437 -5.0437 -0.4934 -0.4934 0.0170 0.0170 3.3624 3.3624 6.6021 6.6021 8.0625 8.0625 12.2007 12.2007 13.6072 13.6072 k = 0.1491 0.1727-0.0000 ( 3350 PWs) bands (ev): -47.6753 -47.6753 -24.3059 -24.3059 -20.0589 -20.0589 -19.6860 -19.6860 -19.5312 -19.5312 -19.4889 -19.4889 -7.3661 -7.3661 -5.3844 -5.3844 -5.0829 -5.0829 -5.0360 -5.0360 -0.4990 -0.4990 0.0031 0.0031 3.3408 3.3408 6.5959 6.5959 8.0453 8.0453 12.2795 12.2795 13.6917 13.6917 k = 0.1404 0.1626-0.0000 ( 3349 PWs) bands (ev): -47.6753 -47.6753 -24.3068 -24.3068 -20.0555 -20.0555 -19.6865 -19.6865 -19.5313 -19.5313 -19.4903 -19.4903 -7.3640 -7.3640 -5.3807 -5.3807 -5.0833 -5.0833 -5.0286 -5.0286 -0.5044 -0.5044 -0.0102 -0.0102 3.3197 3.3197 6.5900 6.5900 8.0299 8.0299 12.3593 12.3593 13.7763 13.7763 k = 0.1316 0.1524-0.0000 ( 3349 PWs) bands (ev): -47.6753 -47.6753 -24.3076 -24.3076 -20.0522 -20.0522 -19.6870 -19.6870 -19.5314 -19.5314 -19.4917 -19.4917 -7.3619 -7.3619 -5.3771 -5.3771 -5.0836 -5.0836 -5.0215 -5.0215 -0.5096 -0.5096 -0.0228 -0.0228 3.2991 3.2991 6.5844 6.5844 8.0159 8.0159 12.4399 12.4399 13.8610 13.8610 k = 0.1228 0.1422-0.0000 ( 3351 PWs) bands (ev): -47.6753 -47.6753 -24.3084 -24.3084 -20.0490 -20.0490 -19.6875 -19.6875 -19.5316 -19.5316 -19.4930 -19.4930 -7.3598 -7.3598 -5.3738 -5.3738 -5.0839 -5.0839 -5.0146 -5.0146 -0.5145 -0.5145 -0.0349 -0.0349 3.2793 3.2793 6.5790 6.5790 8.0034 8.0034 12.5213 12.5213 13.9456 13.9456 k = 0.1140 0.1321-0.0000 ( 3347 PWs) bands (ev): -47.6753 -47.6753 -24.3091 -24.3091 -20.0460 -20.0460 -19.6880 -19.6880 -19.5317 -19.5317 -19.4942 -19.4942 -7.3578 -7.3578 -5.3706 -5.3706 -5.0843 -5.0843 -5.0081 -5.0081 -0.5190 -0.5190 -0.0462 -0.0462 3.2602 3.2602 6.5740 6.5740 7.9923 7.9923 12.6033 12.6033 14.0301 14.0301 k = 0.1053 0.1219-0.0000 ( 3349 PWs) bands (ev): -47.6753 -47.6753 -24.3098 -24.3098 -20.0432 -20.0432 -19.6884 -19.6884 -19.5318 -19.5318 -19.4954 -19.4954 -7.3558 -7.3558 -5.3676 -5.3676 -5.0846 -5.0846 -5.0020 -5.0020 -0.5233 -0.5233 -0.0568 -0.0568 3.2421 3.2421 6.5693 6.5693 7.9824 7.9824 12.6857 12.6857 14.1143 14.1143 k = 0.0965 0.1118-0.0000 ( 3345 PWs) bands (ev): -47.6753 -47.6753 -24.3104 -24.3104 -20.0405 -20.0405 -19.6889 -19.6889 -19.5319 -19.5319 -19.4964 -19.4964 -7.3539 -7.3539 -5.3648 -5.3648 -5.0848 -5.0848 -4.9963 -4.9963 -0.5274 -0.5274 -0.0667 -0.0667 3.2250 3.2250 6.5649 6.5649 7.9737 7.9737 12.7683 12.7683 14.1982 14.1982 k = 0.0877 0.1016-0.0000 ( 3341 PWs) bands (ev): -47.6754 -47.6754 -24.3109 -24.3109 -20.0380 -20.0380 -19.6893 -19.6893 -19.5320 -19.5320 -19.4974 -19.4974 -7.3521 -7.3521 -5.3622 -5.3622 -5.0851 -5.0851 -4.9909 -4.9909 -0.5311 -0.5311 -0.0758 -0.0758 3.2091 3.2091 6.5608 6.5608 7.9661 7.9661 12.8509 12.8509 14.2815 14.2815 k = 0.0789 0.0914-0.0000 ( 3337 PWs) bands (ev): -47.6754 -47.6754 -24.3114 -24.3114 -20.0358 -20.0358 -19.6896 -19.6896 -19.5321 -19.5321 -19.4983 -19.4983 -7.3505 -7.3505 -5.3598 -5.3598 -5.0853 -5.0853 -4.9860 -4.9860 -0.5345 -0.5345 -0.0842 -0.0842 3.1943 3.1943 6.5571 6.5571 7.9595 7.9595 12.9330 12.9330 14.3643 14.3643 k = 0.0702 0.0813-0.0000 ( 3333 PWs) bands (ev): -47.6754 -47.6754 -24.3119 -24.3119 -20.0337 -20.0337 -19.6900 -19.6900 -19.5322 -19.5322 -19.4992 -19.4992 -7.3489 -7.3489 -5.3576 -5.3576 -5.0855 -5.0855 -4.9816 -4.9816 -0.5375 -0.5375 -0.0917 -0.0917 3.1809 3.1809 6.5538 6.5538 7.9538 7.9538 13.0143 13.0143 14.4464 14.4464 k = 0.0614 0.0711-0.0000 ( 3337 PWs) bands (ev): -47.6754 -47.6754 -24.3123 -24.3123 -20.0319 -20.0319 -19.6904 -19.6904 -19.5324 -19.5324 -19.4999 -19.4999 -7.3476 -7.3476 -5.3557 -5.3557 -5.0857 -5.0857 -4.9776 -4.9776 -0.5403 -0.5403 -0.0983 -0.0983 3.1688 3.1688 6.5508 6.5508 7.9490 7.9490 13.0942 13.0942 14.4613 14.4613 k = 0.0526 0.0610-0.0000 ( 3335 PWs) bands (ev): -47.6754 -47.6754 -24.3127 -24.3127 -20.0303 -20.0303 -19.6906 -19.6906 -19.5324 -19.5324 -19.5006 -19.5006 -7.3463 -7.3463 -5.3540 -5.3540 -5.0859 -5.0859 -4.9741 -4.9741 -0.5427 -0.5427 -0.1042 -0.1042 3.1582 3.1582 6.5482 6.5482 7.9449 7.9449 13.1717 13.1717 14.4024 14.4024 k = 0.0439 0.0508-0.0000 ( 3335 PWs) bands (ev): -47.6754 -47.6754 -24.3129 -24.3129 -20.0290 -20.0290 -19.6909 -19.6909 -19.5325 -19.5325 -19.5011 -19.5011 -7.3453 -7.3453 -5.3526 -5.3526 -5.0860 -5.0860 -4.9712 -4.9712 -0.5447 -0.5447 -0.1091 -0.1091 3.1491 3.1491 6.5460 6.5460 7.9416 7.9416 13.2459 13.2459 14.3431 14.3431 k = 0.0351 0.0406-0.0000 ( 3335 PWs) bands (ev): -47.6754 -47.6754 -24.3132 -24.3132 -20.0278 -20.0278 -19.6911 -19.6911 -19.5326 -19.5326 -19.5016 -19.5016 -7.3444 -7.3444 -5.3514 -5.3514 -5.0861 -5.0861 -4.9687 -4.9687 -0.5463 -0.5463 -0.1132 -0.1132 3.1416 3.1416 6.5442 6.5442 7.9389 7.9389 13.3147 13.3147 14.2856 14.2856 k = 0.0263 0.0305-0.0000 ( 3331 PWs) bands (ev): -47.6754 -47.6754 -24.3134 -24.3134 -20.0270 -20.0270 -19.6912 -19.6912 -19.5326 -19.5326 -19.5019 -19.5019 -7.3437 -7.3437 -5.3505 -5.3505 -5.0862 -5.0862 -4.9668 -4.9668 -0.5476 -0.5476 -0.1164 -0.1164 3.1357 3.1357 6.5428 6.5428 7.9369 7.9369 13.3757 13.3757 14.2332 14.2332 k = 0.0175 0.0203-0.0000 ( 3335 PWs) bands (ev): -47.6754 -47.6754 -24.3135 -24.3135 -20.0263 -20.0263 -19.6914 -19.6914 -19.5327 -19.5327 -19.5022 -19.5022 -7.3432 -7.3432 -5.3499 -5.3499 -5.0863 -5.0863 -4.9655 -4.9655 -0.5485 -0.5485 -0.1187 -0.1187 3.1315 3.1315 6.5417 6.5417 7.9355 7.9355 13.4250 13.4250 14.1897 14.1897 k = 0.0088 0.0102-0.0000 ( 3335 PWs) bands (ev): -47.6754 -47.6754 -24.3136 -24.3136 -20.0259 -20.0259 -19.6915 -19.6915 -19.5327 -19.5327 -19.5024 -19.5024 -7.3429 -7.3429 -5.3495 -5.3495 -5.0863 -5.0863 -4.9646 -4.9646 -0.5491 -0.5491 -0.1200 -0.1200 3.1289 3.1289 6.5411 6.5411 7.9346 7.9346 13.4578 13.4578 14.1603 14.1603 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -47.6754 -47.6754 -24.3136 -24.3136 -20.0258 -20.0258 -19.6915 -19.6915 -19.5327 -19.5327 -19.5024 -19.5024 -7.3428 -7.3428 -5.3493 -5.3493 -5.0863 -5.0863 -4.9644 -4.9644 -0.5493 -0.5493 -0.1205 -0.1205 3.1281 3.1281 6.5409 6.5409 7.9344 7.9344 13.4694 13.4694 14.1499 14.1499 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -47.6754 -47.6754 -24.3136 -24.3136 -20.0258 -20.0258 -19.6915 -19.6915 -19.5327 -19.5327 -19.5024 -19.5024 -7.3428 -7.3428 -5.3493 -5.3493 -5.0863 -5.0863 -4.9644 -4.9644 -0.5493 -0.5493 -0.1205 -0.1205 3.1281 3.1281 6.5409 6.5409 7.9344 7.9344 13.4694 13.4694 14.1499 14.1499 k = 0.0085-0.0073 0.0074 ( 3321 PWs) bands (ev): -47.6754 -47.6754 -24.3136 -24.3136 -20.0259 -20.0254 -19.6923 -19.6907 -19.5329 -19.5325 -19.5032 -19.5017 -7.3421 -7.3421 -5.3495 -5.3494 -5.0916 -5.0892 -4.9623 -4.9597 -0.5491 -0.5491 -0.1210 -0.1209 3.1287 3.1291 6.5413 6.5413 7.9360 7.9362 13.4666 13.4669 14.1383 14.1392 k = 0.0170-0.0146 0.0148 ( 3329 PWs) bands (ev): -47.6754 -47.6754 -24.3135 -24.3135 -20.0258 -20.0248 -19.6934 -19.6901 -19.5331 -19.5324 -19.5045 -19.5014 -7.3399 -7.3399 -5.3499 -5.3499 -5.1038 -5.0996 -4.9545 -4.9500 -0.5487 -0.5487 -0.1226 -0.1225 3.1309 3.1315 6.5424 6.5425 7.9409 7.9414 13.4583 13.4589 14.1060 14.1076 k = 0.0254-0.0220 0.0222 ( 3329 PWs) bands (ev): -47.6754 -47.6754 -24.3134 -24.3133 -20.0254 -20.0240 -19.6945 -19.6896 -19.5334 -19.5322 -19.5060 -19.5013 -7.3362 -7.3362 -5.3506 -5.3505 -5.1205 -5.1152 -4.9430 -4.9373 -0.5480 -0.5480 -0.1252 -0.1250 3.1346 3.1356 6.5443 6.5444 7.9493 7.9501 13.4445 13.4453 14.0565 14.0586 k = 0.0339-0.0293 0.0296 ( 3341 PWs) bands (ev): -47.6754 -47.6754 -24.3132 -24.3131 -20.0247 -20.0228 -19.6959 -19.6893 -19.5337 -19.5322 -19.5078 -19.5016 -7.3312 -7.3311 -5.3515 -5.3514 -5.1401 -5.1342 -4.9298 -4.9234 -0.5469 -0.5469 -0.1287 -0.1286 3.1398 3.1411 6.5470 6.5470 7.9610 7.9620 13.4251 13.4262 13.9937 13.9962 k = 0.0424-0.0366 0.0371 ( 3343 PWs) bands (ev): -47.6754 -47.6754 -24.3129 -24.3129 -20.0238 -20.0215 -19.6973 -19.6892 -19.5340 -19.5321 -19.5098 -19.5021 -7.3247 -7.3246 -5.3527 -5.3525 -5.1615 -5.1553 -4.9161 -4.9092 -0.5456 -0.5456 -0.1331 -0.1329 3.1465 3.1481 6.5504 6.5504 7.9759 7.9772 13.4000 13.4012 13.9212 13.9239 k = 0.0509-0.0439 0.0445 ( 3345 PWs) bands (ev): -47.6754 -47.6754 -24.3126 -24.3125 -20.0227 -20.0200 -19.6988 -19.6892 -19.5344 -19.5320 -19.5120 -19.5028 -7.3169 -7.3168 -5.3541 -5.3539 -5.1841 -5.1778 -4.9025 -4.8953 -0.5440 -0.5439 -0.1383 -0.1381 3.1547 3.1566 6.5544 6.5544 7.9941 7.9956 13.3690 13.3705 13.8414 13.8442 k = 0.0593-0.0512 0.0519 ( 3345 PWs) bands (ev): -47.6754 -47.6754 -24.3122 -24.3122 -20.0214 -20.0182 -19.7004 -19.6893 -19.5348 -19.5320 -19.5144 -19.5038 -7.3078 -7.3078 -5.3558 -5.3556 -5.2076 -5.2012 -4.8895 -4.8821 -0.5421 -0.5420 -0.1441 -0.1438 3.1643 3.1665 6.5591 6.5592 8.0153 8.0171 13.3324 13.3339 13.7563 13.7591 k = 0.0678-0.0586 0.0593 ( 3347 PWs) bands (ev): -47.6754 -47.6754 -24.3118 -24.3117 -20.0199 -20.0164 -19.7020 -19.6897 -19.5352 -19.5320 -19.5170 -19.5049 -7.2976 -7.2975 -5.3577 -5.3575 -5.2316 -5.2252 -4.8774 -4.8698 -0.5398 -0.5398 -0.1504 -0.1501 3.1752 3.1778 6.5646 6.5646 8.0396 8.0415 13.2902 13.2918 13.6671 13.6701 k = 0.0763-0.0659 0.0667 ( 3351 PWs) bands (ev): -47.6754 -47.6754 -24.3113 -24.3112 -20.0182 -20.0144 -19.7038 -19.6902 -19.5356 -19.5320 -19.5197 -19.5062 -7.2863 -7.2862 -5.3599 -5.3596 -5.2559 -5.2495 -4.8663 -4.8586 -0.5373 -0.5373 -0.1571 -0.1568 3.1875 3.1903 6.5706 6.5706 8.0667 8.0689 13.2427 13.2443 13.5750 13.5780 k = 0.0848-0.0732 0.0741 ( 3349 PWs) bands (ev): -47.6754 -47.6754 -24.3107 -24.3107 -20.0164 -20.0123 -19.7056 -19.6909 -19.5361 -19.5321 -19.5223 -19.5077 -7.2739 -7.2738 -5.3624 -5.3620 -5.2802 -5.2740 -4.8564 -4.8486 -0.5346 -0.5345 -0.1640 -0.1637 3.2010 3.2041 6.5772 6.5772 8.0966 8.0989 13.1904 13.1919 13.4807 13.4838 k = 0.0933-0.0805 0.0815 ( 3349 PWs) bands (ev): -47.6754 -47.6754 -24.3101 -24.3101 -20.0145 -20.0102 -19.7074 -19.6918 -19.5366 -19.5322 -19.5250 -19.5092 -7.2607 -7.2606 -5.3651 -5.3645 -5.3045 -5.2984 -4.8477 -4.8398 -0.5315 -0.5315 -0.1709 -0.1706 3.2157 3.2191 6.5843 6.5843 8.1290 8.1316 13.1336 13.1349 13.3849 13.3883 k = 0.1017-0.0878 0.0889 ( 3349 PWs) bands (ev): -47.6753 -47.6753 -24.3095 -24.3094 -20.0126 -20.0081 -19.7093 -19.6928 -19.5372 -19.5325 -19.5275 -19.5108 -7.2468 -7.2466 -5.3682 -5.3673 -5.3283 -5.3227 -4.8403 -4.8324 -0.5282 -0.5281 -0.1777 -0.1774 3.2314 3.2351 6.5919 6.5920 8.1639 8.1667 13.0728 13.0738 13.2883 13.2920 k = 0.1102-0.0952 0.0963 ( 3345 PWs) bands (ev): -47.6753 -47.6753 -24.3088 -24.3087 -20.0106 -20.0059 -19.7111 -19.6940 -19.5378 -19.5333 -19.5294 -19.5125 -7.2322 -7.2321 -5.3723 -5.3703 -5.3510 -5.3465 -4.8343 -4.8263 -0.5246 -0.5245 -0.1842 -0.1839 3.2482 3.2522 6.6000 6.6001 8.2012 8.2041 13.0082 13.0087 13.1915 13.1957 k = 0.1187-0.1025 0.1038 ( 3345 PWs) bands (ev): -47.6753 -47.6753 -24.3080 -24.3079 -20.0087 -20.0040 -19.7128 -19.6955 -19.5385 -19.5349 -19.5305 -19.5141 -7.2172 -7.2171 -5.3815 -5.3740 -5.3693 -5.3682 -4.8297 -4.8217 -0.5207 -0.5206 -0.1903 -0.1900 3.2660 3.2702 6.6085 6.6085 8.2405 8.2436 12.9397 12.9399 13.0954 13.1002 k = 0.1272-0.1098 0.1112 ( 3353 PWs) bands (ev): -47.6753 -47.6753 -24.3072 -24.3072 -20.0069 -20.0022 -19.7146 -19.6970 -19.5393 -19.5370 -19.5310 -19.5157 -7.2019 -7.2018 -5.4008 -5.3927 -5.3765 -5.3749 -4.8265 -4.8185 -0.5166 -0.5165 -0.1957 -0.1954 3.2846 3.2890 6.6173 6.6173 8.2819 8.2851 12.8668 12.8678 13.0010 13.0067 k = 0.1356-0.1171 0.1186 ( 3349 PWs) bands (ev): -47.6753 -47.6753 -24.3064 -24.3063 -20.0052 -20.0006 -19.7161 -19.6987 -19.5400 -19.5390 -19.5312 -19.5173 -7.1866 -7.1864 -5.4217 -5.4143 -5.3801 -5.3791 -4.8248 -4.8168 -0.5122 -0.5121 -0.2003 -0.2000 3.3040 3.3087 6.6264 6.6264 8.3251 8.3285 12.7894 12.7914 12.9095 12.9161 k = 0.1441-0.1244 0.1260 ( 3353 PWs) bands (ev): -47.6753 -47.6753 -24.3055 -24.3054 -20.0037 -19.9994 -19.7175 -19.7005 -19.5410 -19.5408 -19.5313 -19.5188 -7.1713 -7.1711 -5.4420 -5.4350 -5.3838 -5.3831 -4.8245 -4.8165 -0.5076 -0.5075 -0.2040 -0.2037 3.3241 3.3290 6.6357 6.6358 8.3700 8.3735 12.7074 12.7102 12.8220 12.8295 k = 0.1526-0.1318 0.1334 ( 3353 PWs) bands (ev): -47.6753 -47.6753 -24.3046 -24.3045 -20.0025 -19.9985 -19.7187 -19.7023 -19.5427 -19.5415 -19.5314 -19.5202 -7.1563 -7.1562 -5.4612 -5.4543 -5.3876 -5.3870 -4.8257 -4.8177 -0.5027 -0.5027 -0.2065 -0.2063 3.3449 3.3499 6.6453 6.6453 8.4164 8.4200 12.6209 12.6242 12.7393 12.7472 k = 0.1611-0.1391 0.1408 ( 3345 PWs) bands (ev): -47.6753 -47.6753 -24.3036 -24.3035 -20.0015 -19.9979 -19.7196 -19.7041 -19.5441 -19.5422 -19.5315 -19.5215 -7.1418 -7.1417 -5.4790 -5.4723 -5.3914 -5.3909 -4.8282 -4.8203 -0.4977 -0.4976 -0.2078 -0.2076 3.3661 3.3714 6.6549 6.6550 8.4642 8.4678 12.5309 12.5343 12.6608 12.6688 k = 0.1696-0.1464 0.1482 ( 3337 PWs) bands (ev): -47.6753 -47.6753 -24.3026 -24.3025 -20.0010 -19.9979 -19.7202 -19.7059 -19.5452 -19.5429 -19.5315 -19.5226 -7.1281 -7.1279 -5.4953 -5.4886 -5.3955 -5.3950 -4.8322 -4.8242 -0.4924 -0.4923 -0.2077 -0.2076 3.3878 3.3932 6.6647 6.6647 8.5132 8.5169 12.4388 12.4420 12.5857 12.5934 k = 0.1780-0.1537 0.1556 ( 3343 PWs) bands (ev): -47.6753 -47.6753 -24.3015 -24.3015 -20.0009 -19.9984 -19.7205 -19.7077 -19.5461 -19.5435 -19.5315 -19.5237 -7.1153 -7.1151 -5.5098 -5.5032 -5.3996 -5.3992 -4.8375 -4.8296 -0.4868 -0.4868 -0.2062 -0.2061 3.4098 3.4154 6.6744 6.6744 8.5632 8.5671 12.3456 12.3485 12.5130 12.5205 k = 0.1865-0.1610 0.1631 ( 3343 PWs) bands (ev): -47.6752 -47.6752 -24.3005 -24.3004 -20.0013 -19.9995 -19.7204 -19.7094 -19.5465 -19.5440 -19.5315 -19.5247 -7.1036 -7.1035 -5.5223 -5.5158 -5.4038 -5.4034 -4.8441 -4.8362 -0.4812 -0.4811 -0.2031 -0.2031 3.4320 3.4377 6.6841 6.6841 8.6143 8.6182 12.2521 12.2548 12.4423 12.4495 k = 0.1950-0.1684 0.1705 ( 3345 PWs) bands (ev): -47.6752 -47.6752 -24.2994 -24.2993 -20.0022 -20.0012 -19.7200 -19.7108 -19.5467 -19.5443 -19.5315 -19.5257 -7.0933 -7.0932 -5.5327 -5.5263 -5.4081 -5.4077 -4.8519 -4.8441 -0.4753 -0.4753 -0.1984 -0.1984 3.4544 3.4603 6.6937 6.6937 8.6661 8.6700 12.1590 12.1615 12.3732 12.3802 k = 0.2035-0.1757 0.1779 ( 3341 PWs) bands (ev): -47.6752 -47.6752 -24.2982 -24.2981 -20.0037 -20.0035 -19.7192 -19.7121 -19.5464 -19.5444 -19.5315 -19.5265 -7.0844 -7.0844 -5.5408 -5.5345 -5.4124 -5.4121 -4.8609 -4.8531 -0.4693 -0.4692 -0.1920 -0.1919 3.4768 3.4828 6.7032 6.7032 8.7186 8.7226 12.0667 12.0689 12.3058 12.3126 k = 0.2119-0.1830 0.1853 ( 3339 PWs) bands (ev): -47.6752 -47.6752 -24.2971 -24.2970 -20.0065 -20.0058 -19.7181 -19.7130 -19.5459 -19.5444 -19.5314 -19.5272 -7.0773 -7.0772 -5.5467 -5.5404 -5.4168 -5.4165 -4.8710 -4.8633 -0.4631 -0.4630 -0.1839 -0.1837 3.4991 3.5052 6.7124 6.7125 8.7717 8.7757 11.9754 11.9773 12.2399 12.2465 k = 0.2204-0.1903 0.1927 ( 3347 PWs) bands (ev): -47.6752 -47.6752 -24.2959 -24.2958 -20.0100 -20.0085 -19.7166 -19.7138 -19.5452 -19.5441 -19.5312 -19.5279 -7.0720 -7.0719 -5.5500 -5.5438 -5.4213 -5.4209 -4.8822 -4.8745 -0.4568 -0.4567 -0.1740 -0.1738 3.5213 3.5275 6.7214 6.7215 8.8253 8.8293 11.8853 11.8870 12.1756 12.1820 k = 0.2289-0.1976 0.2001 ( 3343 PWs) bands (ev): -47.6752 -47.6752 -24.2947 -24.2946 -20.0142 -20.0118 -19.7148 -19.7142 -19.5441 -19.5435 -19.5309 -19.5285 -7.0685 -7.0685 -5.5509 -5.5447 -5.4257 -5.4254 -4.8942 -4.8866 -0.4503 -0.4503 -0.1623 -0.1620 3.5433 3.5496 6.7302 6.7302 8.8793 8.8833 11.7967 11.7982 12.1129 12.1191 k = 0.2374-0.2050 0.2075 ( 3343 PWs) bands (ev): -47.6752 -47.6752 -24.2935 -24.2934 -20.0189 -20.0157 -19.7143 -19.7127 -19.5428 -19.5426 -19.5305 -19.5291 -7.0671 -7.0671 -5.5494 -5.5432 -5.4302 -5.4298 -4.9071 -4.8995 -0.4437 -0.4437 -0.1489 -0.1485 3.5649 3.5713 6.7387 6.7387 8.9335 8.9375 11.7097 11.7110 12.0519 12.0579 k = 0.2459-0.2123 0.2149 ( 3339 PWs) bands (ev): -47.6752 -47.6752 -24.2923 -24.2922 -20.0241 -20.0202 -19.7141 -19.7104 -19.5415 -19.5414 -19.5297 -19.5296 -7.0676 -7.0676 -5.5454 -5.5392 -5.4346 -5.4343 -4.9208 -4.9132 -0.4371 -0.4371 -0.1337 -0.1332 3.5861 3.5926 6.7468 6.7468 8.9880 8.9919 11.6245 11.6256 11.9926 11.9984 k = 0.2543-0.2196 0.2223 ( 3339 PWs) bands (ev): -47.6751 -47.6751 -24.2910 -24.2909 -20.0298 -20.0253 -19.7137 -19.7080 -19.5402 -19.5400 -19.5300 -19.5286 -7.0702 -7.0701 -5.5390 -5.5328 -5.4391 -5.4387 -4.9350 -4.9275 -0.4304 -0.4304 -0.1168 -0.1162 3.6068 3.6133 6.7545 6.7545 9.0426 9.0465 11.5411 11.5420 11.9351 11.9408 k = 0.2628-0.2269 0.2298 ( 3331 PWs) bands (ev): -47.6751 -47.6751 -24.2898 -24.2897 -20.0359 -20.0308 -19.7130 -19.7054 -19.5390 -19.5382 -19.5303 -19.5269 -7.0746 -7.0745 -5.5304 -5.5242 -5.4435 -5.4430 -4.9498 -4.9423 -0.4236 -0.4236 -0.0982 -0.0975 3.6269 3.6335 6.7618 6.7618 9.0972 9.1010 11.4596 11.4604 11.8794 11.8850 k = 0.2713-0.2342 0.2372 ( 3335 PWs) bands (ev): -47.6751 -47.6751 -24.2886 -24.2884 -20.0424 -20.0368 -19.7121 -19.7028 -19.5382 -19.5363 -19.5304 -19.5247 -7.0809 -7.0807 -5.5197 -5.5134 -5.4479 -5.4473 -4.9650 -4.9575 -0.4168 -0.4168 -0.0780 -0.0773 3.6463 3.6529 6.7687 6.7687 9.1518 9.1556 11.3803 11.3808 11.8256 11.8310 k = 0.2798-0.2416 0.2446 ( 3333 PWs) bands (ev): -47.6751 -47.6751 -24.2873 -24.2872 -20.0492 -20.0432 -19.7110 -19.7002 -19.5376 -19.5345 -19.5299 -19.5219 -7.0889 -7.0886 -5.5072 -5.5007 -5.4522 -5.4515 -4.9804 -4.9729 -0.4100 -0.4100 -0.0564 -0.0555 3.6650 3.6716 6.7751 6.7752 9.2064 9.2101 11.3031 11.3035 11.7738 11.7790 k = 0.2882-0.2489 0.2520 ( 3341 PWs) bands (ev): -47.6751 -47.6751 -24.2861 -24.2860 -20.0562 -20.0499 -19.7098 -19.6977 -19.5373 -19.5336 -19.5283 -19.5187 -7.0984 -7.0982 -5.4931 -5.4864 -5.4565 -5.4555 -4.9961 -4.9886 -0.4032 -0.4032 -0.0333 -0.0324 3.6829 3.6895 6.7811 6.7811 9.2608 9.2644 11.2282 11.2284 11.7239 11.7289 k = 0.2967-0.2562 0.2594 ( 3343 PWs) bands (ev): -47.6751 -47.6751 -24.2849 -24.2848 -20.0634 -20.0568 -19.7085 -19.6953 -19.5371 -19.5334 -19.5255 -19.5152 -7.1093 -7.1090 -5.4783 -5.4705 -5.4607 -5.4587 -5.0118 -5.0043 -0.3965 -0.3964 -0.0089 -0.0080 3.6999 3.7065 6.7866 6.7866 9.3151 9.3185 11.1557 11.1557 11.6759 11.6809 k = 0.3052-0.2635 0.2668 ( 3339 PWs) bands (ev): -47.6751 -47.6751 -24.2837 -24.2836 -20.0708 -20.0640 -19.7070 -19.6930 -19.5369 -19.5335 -19.5220 -19.5113 -7.1214 -7.1212 -5.4684 -5.4648 -5.4557 -5.4534 -5.0274 -5.0199 -0.3897 -0.3897 0.0166 0.0177 3.7160 3.7225 6.7916 6.7917 9.3691 9.3724 11.0856 11.0858 11.6300 11.6348 k = 0.3137-0.2708 0.2742 ( 3339 PWs) bands (ev): -47.6751 -47.6751 -24.2825 -24.2824 -20.0782 -20.0713 -19.7055 -19.6908 -19.5369 -19.5337 -19.5182 -19.5071 -7.1346 -7.1343 -5.4699 -5.4688 -5.4403 -5.4354 -5.0428 -5.0352 -0.3831 -0.3831 0.0432 0.0443 3.7311 3.7376 6.7962 6.7963 9.4228 9.4259 11.0182 11.0186 11.5861 11.5907 k = 0.3222-0.2782 0.2816 ( 3343 PWs) bands (ev): -47.6751 -47.6751 -24.2813 -24.2812 -20.0856 -20.0787 -19.7040 -19.6889 -19.5369 -19.5340 -19.5140 -19.5029 -7.1486 -7.1483 -5.4733 -5.4727 -5.4223 -5.4168 -5.0578 -5.0502 -0.3765 -0.3765 0.0706 0.0718 3.7452 3.7516 6.8004 6.8004 9.4761 9.4789 10.9535 10.9541 11.5442 11.5487 k = 0.3306-0.2855 0.2890 ( 3335 PWs) bands (ev): -47.6750 -47.6750 -24.2802 -24.2801 -20.0929 -20.0861 -19.7024 -19.6870 -19.5368 -19.5343 -19.5095 -19.4984 -7.1633 -7.1630 -5.4768 -5.4764 -5.4037 -5.3978 -5.0723 -5.0646 -0.3701 -0.3701 0.0987 0.1000 3.7582 3.7646 6.8041 6.8041 9.5288 9.5315 10.8919 10.8928 11.5043 11.5086 k = 0.3391-0.2928 0.2965 ( 3335 PWs) bands (ev): -47.6750 -47.6750 -24.2791 -24.2790 -20.1002 -20.0934 -19.7009 -19.6854 -19.5369 -19.5345 -19.5049 -19.4938 -7.1785 -7.1781 -5.4803 -5.4800 -5.3850 -5.3788 -5.0861 -5.0782 -0.3638 -0.3638 0.1274 0.1287 3.7703 3.7764 6.8074 6.8074 9.5809 9.5834 10.8336 10.8346 11.4665 11.4706 k = 0.3476-0.3001 0.3039 ( 3335 PWs) bands (ev): -47.6750 -47.6750 -24.2780 -24.2779 -20.1073 -20.1007 -19.6994 -19.6840 -19.5369 -19.5348 -19.5002 -19.4892 -7.1939 -7.1935 -5.4838 -5.4835 -5.3667 -5.3602 -5.0989 -5.0908 -0.3577 -0.3576 0.1565 0.1578 3.7812 3.7873 6.8102 6.8103 9.6321 9.6343 10.7788 10.7801 11.4307 11.4347 k = 0.3561-0.3074 0.3113 ( 3343 PWs) bands (ev): -47.6750 -47.6750 -24.2770 -24.2769 -20.1143 -20.1079 -19.6979 -19.6828 -19.5370 -19.5351 -19.4954 -19.4847 -7.2095 -7.2091 -5.4871 -5.4869 -5.3492 -5.3425 -5.1104 -5.1022 -0.3517 -0.3517 0.1857 0.1870 3.7911 3.7970 6.8127 6.8127 9.6823 9.6842 10.7278 10.7293 11.3969 11.4007 k = 0.3645-0.3148 0.3187 ( 3343 PWs) bands (ev): -47.6750 -47.6750 -24.2760 -24.2759 -20.1211 -20.1149 -19.6964 -19.6817 -19.5371 -19.5353 -19.4905 -19.4801 -7.2250 -7.2246 -5.4902 -5.4901 -5.3330 -5.3260 -5.1203 -5.1120 -0.3460 -0.3459 0.2149 0.2162 3.8000 3.8057 6.8148 6.8149 9.7310 9.7326 10.6811 10.6829 11.3651 11.3687 k = 0.3730-0.3221 0.3261 ( 3335 PWs) bands (ev): -47.6750 -47.6750 -24.2750 -24.2749 -20.1276 -20.1217 -19.6950 -19.6808 -19.5371 -19.5355 -19.4856 -19.4756 -7.2403 -7.2399 -5.4933 -5.4932 -5.3186 -5.3114 -5.1281 -5.1197 -0.3404 -0.3404 0.2438 0.2452 3.8078 3.8133 6.8166 6.8167 9.7778 9.7790 10.6392 10.6413 11.3353 11.3388 k = 0.3815-0.3294 0.3335 ( 3322 PWs) bands (ev): -47.6750 -47.6750 -24.2741 -24.2740 -20.1337 -20.1281 -19.6936 -19.6800 -19.5371 -19.5357 -19.4807 -19.4712 -7.2553 -7.2549 -5.4961 -5.4960 -5.3064 -5.2992 -5.1333 -5.1250 -0.3351 -0.3351 0.2723 0.2737 3.8147 3.8200 6.8181 6.8181 9.8221 9.8229 10.6027 10.6051 11.3075 11.3108 k = 0.3900-0.3367 0.3409 ( 3326 PWs) bands (ev): -47.6750 -47.6750 -24.2732 -24.2731 -20.1397 -20.1344 -19.6923 -19.6794 -19.5372 -19.5359 -19.4760 -19.4670 -7.2698 -7.2694 -5.4988 -5.4987 -5.2971 -5.2902 -5.1356 -5.1276 -0.3301 -0.3301 0.3001 0.3014 3.8207 3.8257 6.8193 6.8193 9.8631 9.8636 10.5726 10.5753 11.2817 11.2848 k = 0.3985-0.3440 0.3483 ( 3328 PWs) bands (ev): -47.6749 -47.6749 -24.2724 -24.2723 -20.1453 -20.1403 -19.6911 -19.6789 -19.5373 -19.5362 -19.4714 -19.4630 -7.2837 -7.2834 -5.5013 -5.5013 -5.2909 -5.2844 -5.1346 -5.1272 -0.3254 -0.3254 0.3270 0.3283 3.8257 3.8305 6.8203 6.8203 9.8999 9.9000 10.5496 10.5527 11.2579 11.2608 k = 0.4069-0.3513 0.3558 ( 3328 PWs) bands (ev): -47.6749 -47.6749 -24.2716 -24.2715 -20.1504 -20.1458 -19.6899 -19.6786 -19.5374 -19.5364 -19.4670 -19.4592 -7.2969 -7.2966 -5.5037 -5.5036 -5.2875 -5.2818 -5.1307 -5.1241 -0.3210 -0.3210 0.3527 0.3540 3.8300 3.8345 6.8210 6.8210 9.9312 9.9315 10.5349 10.5382 11.2361 11.2388 k = 0.4154-0.3587 0.3632 ( 3324 PWs) bands (ev): -47.6749 -47.6749 -24.2709 -24.2708 -20.1552 -20.1510 -19.6888 -19.6784 -19.5375 -19.5365 -19.4628 -19.4556 -7.3093 -7.3090 -5.5059 -5.5058 -5.2867 -5.2818 -5.1244 -5.1188 -0.3169 -0.3169 0.3772 0.3784 3.8336 3.8377 6.8215 6.8215 9.9563 9.9569 10.5291 10.5327 11.2163 11.2187 k = 0.4239-0.3660 0.3706 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2702 -24.2702 -20.1596 -20.1558 -19.6877 -19.6782 -19.5375 -19.5367 -19.4588 -19.4523 -7.3207 -7.3205 -5.5078 -5.5078 -5.2877 -5.2837 -5.1167 -5.1120 -0.3131 -0.3131 0.4001 0.4012 3.8365 3.8403 6.8219 6.8219 9.9750 9.9758 10.5327 10.5363 11.1984 11.2007 k = 0.4324-0.3733 0.3780 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2697 -24.2696 -20.1636 -20.1601 -19.6867 -19.6781 -19.5375 -19.5368 -19.4551 -19.4493 -7.3312 -7.3310 -5.5096 -5.5095 -5.2899 -5.2866 -5.1083 -5.1044 -0.3097 -0.3097 0.4212 0.4222 3.8388 3.8422 6.8222 6.8222 9.9873 9.9883 10.5451 10.5488 11.1826 11.1846 k = 0.4408-0.3806 0.3854 ( 3320 PWs) bands (ev): -47.6749 -47.6749 -24.2691 -24.2691 -20.1671 -20.1641 -19.6857 -19.6782 -19.5376 -19.5370 -19.4519 -19.4468 -7.3407 -7.3405 -5.5111 -5.5111 -5.2928 -5.2902 -5.0998 -5.0967 -0.3067 -0.3067 0.4403 0.4412 3.8407 3.8437 6.8223 6.8223 9.9941 9.9951 10.5652 10.5686 11.1687 11.1706 k = 0.4493-0.3879 0.3928 ( 3316 PWs) bands (ev): -47.6749 -47.6749 -24.2687 -24.2686 -20.1701 -20.1675 -19.6848 -19.6783 -19.5376 -19.5371 -19.4489 -19.4445 -7.3489 -7.3488 -5.5125 -5.5125 -5.2958 -5.2938 -5.0918 -5.0893 -0.3040 -0.3040 0.4573 0.4582 3.8421 3.8448 6.8224 6.8224 9.9967 9.9976 10.5909 10.5941 11.1569 11.1586 k = 0.4578-0.3953 0.4002 ( 3310 PWs) bands (ev): -47.6749 -47.6749 -24.2683 -24.2682 -20.1727 -20.1705 -19.6839 -19.6785 -19.5376 -19.5371 -19.4463 -19.4426 -7.3560 -7.3559 -5.5137 -5.5137 -5.2988 -5.2972 -5.0845 -5.0826 -0.3017 -0.3017 0.4721 0.4728 3.8433 3.8455 6.8224 6.8225 9.9964 9.9973 10.6199 10.6227 11.1472 11.1486 k = 0.4663-0.4026 0.4076 ( 3310 PWs) bands (ev): -47.6749 -47.6749 -24.2680 -24.2679 -20.1747 -20.1730 -19.6831 -19.6788 -19.5376 -19.5372 -19.4441 -19.4411 -7.3619 -7.3618 -5.5146 -5.5146 -5.3015 -5.3003 -5.0783 -5.0768 -0.2999 -0.2999 0.4843 0.4849 3.8441 3.8459 6.8224 6.8225 9.9946 9.9953 10.6495 10.6519 11.1395 11.1407 k = 0.4748-0.4099 0.4150 ( 3316 PWs) bands (ev): -47.6749 -47.6749 -24.2677 -24.2677 -20.1763 -20.1750 -19.6824 -19.6792 -19.5376 -19.5374 -19.4423 -19.4401 -7.3665 -7.3664 -5.5154 -5.5154 -5.3037 -5.3028 -5.0733 -5.0722 -0.2984 -0.2984 0.4939 0.4944 3.8447 3.8461 6.8224 6.8224 9.9922 9.9927 10.6771 10.6790 11.1339 11.1348 k = 0.4832-0.4172 0.4225 ( 3304 PWs) bands (ev): -47.6749 -47.6749 -24.2675 -24.2675 -20.1773 -20.1765 -19.6817 -19.6795 -19.5375 -19.5374 -19.4408 -19.4393 -7.3698 -7.3697 -5.5159 -5.5159 -5.3052 -5.3047 -5.0696 -5.0689 -0.2974 -0.2973 0.5009 0.5012 3.8452 3.8461 6.8224 6.8224 9.9900 9.9903 10.6997 10.7010 11.1301 11.1308 k = 0.4832-0.4172 0.4225 ( 3304 PWs) bands (ev): -47.6749 -47.6749 -24.2675 -24.2675 -20.1773 -20.1765 -19.6817 -19.6795 -19.5375 -19.5374 -19.4408 -19.4393 -7.3698 -7.3697 -5.5159 -5.5159 -5.3052 -5.3047 -5.0696 -5.0689 -0.2974 -0.2973 0.5009 0.5012 3.8452 3.8461 6.8224 6.8224 9.9900 9.9903 10.6997 10.7010 11.1301 11.1308 k = 0.4837-0.4050 0.4174 ( 3310 PWs) bands (ev): -47.6749 -47.6749 -24.2677 -24.2676 -20.1766 -20.1754 -19.6822 -19.6792 -19.5376 -19.5373 -19.4418 -19.4398 -7.3677 -7.3676 -5.5155 -5.5155 -5.3041 -5.3034 -5.0720 -5.0710 -0.2981 -0.2981 0.4962 0.4966 3.8448 3.8460 6.8223 6.8223 9.9881 9.9885 10.6821 10.6838 11.1399 11.1407 k = 0.4841-0.3927 0.4123 ( 3309 PWs) bands (ev): -47.6749 -47.6749 -24.2679 -24.2679 -20.1755 -20.1741 -19.6826 -19.6790 -19.5375 -19.5373 -19.4430 -19.4405 -7.3651 -7.3650 -5.5149 -5.5149 -5.3024 -5.3015 -5.0750 -5.0738 -0.2993 -0.2993 0.4896 0.4901 3.8441 3.8456 6.8220 6.8220 9.9801 9.9807 10.6567 10.6587 11.1643 11.1653 k = 0.4845-0.3804 0.4072 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2682 -24.2681 -20.1741 -20.1723 -19.6832 -19.6787 -19.5375 -19.5372 -19.4444 -19.4414 -7.3619 -7.3618 -5.5140 -5.5140 -5.3003 -5.2991 -5.0785 -5.0770 -0.3009 -0.3009 0.4814 0.4819 3.8430 3.8448 6.8214 6.8215 9.9667 9.9674 10.6259 10.6282 11.2011 11.2024 k = 0.4849-0.3681 0.4021 ( 3313 PWs) bands (ev): -47.6749 -47.6749 -24.2685 -24.2685 -20.1724 -20.1703 -19.6837 -19.6785 -19.5375 -19.5370 -19.4461 -19.4426 -7.3582 -7.3580 -5.5130 -5.5129 -5.2979 -5.2965 -5.0825 -5.0807 -0.3028 -0.3028 0.4714 0.4721 3.8417 3.8438 6.8207 6.8207 9.9487 9.9494 10.5917 10.5942 11.2480 11.2496 k = 0.4853-0.3559 0.3970 ( 3315 PWs) bands (ev): -47.6749 -47.6749 -24.2690 -24.2689 -20.1703 -20.1679 -19.6842 -19.6784 -19.5374 -19.5369 -19.4480 -19.4440 -7.3539 -7.3537 -5.5117 -5.5117 -5.2953 -5.2936 -5.0867 -5.0846 -0.3051 -0.3051 0.4598 0.4606 3.8401 3.8425 6.8197 6.8197 9.9270 9.9278 10.5557 10.5583 11.3032 11.3050 k = 0.4857-0.3436 0.3919 ( 3314 PWs) bands (ev): -47.6749 -47.6749 -24.2695 -24.2694 -20.1678 -20.1652 -19.6848 -19.6782 -19.5373 -19.5367 -19.4501 -19.4456 -7.3491 -7.3489 -5.5102 -5.5102 -5.2928 -5.2907 -5.0910 -5.0885 -0.3078 -0.3078 0.4467 0.4475 3.8382 3.8408 6.8185 6.8186 9.9025 9.9032 10.5190 10.5218 11.3651 11.3671 k = 0.4862-0.3313 0.3868 ( 3313 PWs) bands (ev): -47.6749 -47.6749 -24.2701 -24.2700 -20.1651 -20.1621 -19.6854 -19.6781 -19.5372 -19.5365 -19.4524 -19.4474 -7.3438 -7.3436 -5.5086 -5.5086 -5.2905 -5.2882 -5.0951 -5.0922 -0.3108 -0.3108 0.4321 0.4330 3.8360 3.8389 6.8172 6.8172 9.8758 9.8766 10.4823 10.4853 11.4325 11.4347 k = 0.4866-0.3190 0.3817 ( 3315 PWs) bands (ev): -47.6749 -47.6749 -24.2707 -24.2706 -20.1620 -20.1588 -19.6861 -19.6780 -19.5371 -19.5364 -19.4549 -19.4494 -7.3380 -7.3378 -5.5067 -5.5067 -5.2889 -5.2862 -5.0986 -5.0954 -0.3141 -0.3141 0.4161 0.4170 3.8336 3.8367 6.8156 6.8156 9.8477 9.8484 10.4463 10.4493 11.5044 11.5068 k = 0.4870-0.3068 0.3766 ( 3315 PWs) bands (ev): -47.6749 -47.6749 -24.2714 -24.2713 -20.1587 -20.1552 -19.6867 -19.6780 -19.5369 -19.5361 -19.4576 -19.4516 -7.3317 -7.3314 -5.5047 -5.5047 -5.2882 -5.2852 -5.1013 -5.0978 -0.3177 -0.3177 0.3988 0.3998 3.8309 3.8341 6.8139 6.8139 9.8187 9.8194 10.4111 10.4142 11.5802 11.5828 k = 0.4874-0.2945 0.3715 ( 3316 PWs) bands (ev): -47.6749 -47.6749 -24.2721 -24.2721 -20.1550 -20.1513 -19.6874 -19.6780 -19.5368 -19.5359 -19.4606 -19.4540 -7.3249 -7.3246 -5.5025 -5.5025 -5.2887 -5.2856 -5.1028 -5.0990 -0.3217 -0.3216 0.3803 0.3813 3.8279 3.8313 6.8120 6.8120 9.7893 9.7900 10.3770 10.3802 11.6592 11.6620 k = 0.4878-0.2822 0.3664 ( 3321 PWs) bands (ev): -47.6749 -47.6749 -24.2729 -24.2729 -20.1511 -20.1471 -19.6881 -19.6780 -19.5366 -19.5356 -19.4637 -19.4566 -7.3176 -7.3173 -5.5002 -5.5002 -5.2909 -5.2876 -5.1028 -5.0987 -0.3258 -0.3258 0.3607 0.3618 3.8246 3.8282 6.8100 6.8100 9.7598 9.7605 10.3442 10.3474 11.7409 11.7439 k = 0.4883-0.2699 0.3613 ( 3319 PWs) bands (ev): -47.6749 -47.6749 -24.2738 -24.2737 -20.1469 -20.1426 -19.6889 -19.6781 -19.5365 -19.5353 -19.4669 -19.4593 -7.3098 -7.3096 -5.4977 -5.4977 -5.2949 -5.2915 -5.1009 -5.0968 -0.3303 -0.3302 0.3401 0.3412 3.8211 3.8249 6.8078 6.8079 9.7306 9.7312 10.3127 10.3160 11.8251 11.8282 k = 0.4887-0.2577 0.3562 ( 3321 PWs) bands (ev): -47.6750 -47.6750 -24.2747 -24.2746 -20.1425 -20.1380 -19.6897 -19.6783 -19.5363 -19.5350 -19.4703 -19.4622 -7.3016 -7.3014 -5.4951 -5.4951 -5.3008 -5.2974 -5.0972 -5.0930 -0.3349 -0.3349 0.3187 0.3198 3.8174 3.8213 6.8056 6.8056 9.7018 9.7024 10.2827 10.2860 11.9112 11.9145 k = 0.4891-0.2454 0.3511 ( 3317 PWs) bands (ev): -47.6750 -47.6750 -24.2756 -24.2755 -20.1378 -20.1330 -19.6905 -19.6786 -19.5361 -19.5347 -19.4738 -19.4651 -7.2930 -7.2928 -5.4925 -5.4924 -5.3086 -5.3052 -5.0916 -5.0874 -0.3397 -0.3397 0.2965 0.2977 3.8135 3.8175 6.8032 6.8032 9.6737 9.6743 10.2542 10.2575 11.9991 12.0025 k = 0.4895-0.2331 0.3460 ( 3321 PWs) bands (ev): -47.6750 -47.6750 -24.2765 -24.2765 -20.1329 -20.1279 -19.6914 -19.6789 -19.5360 -19.5344 -19.4775 -19.4683 -7.2841 -7.2838 -5.4897 -5.4896 -5.3182 -5.3150 -5.0843 -5.0802 -0.3447 -0.3447 0.2737 0.2749 3.8094 3.8134 6.8007 6.8007 9.6464 9.6470 10.2271 10.2304 12.0886 12.0921 k = 0.4899-0.2209 0.3409 ( 3323 PWs) bands (ev): -47.6750 -47.6750 -24.2775 -24.2774 -20.1278 -20.1226 -19.6924 -19.6793 -19.5358 -19.5341 -19.4812 -19.4715 -7.2747 -7.2744 -5.4868 -5.4867 -5.3294 -5.3263 -5.0755 -5.0716 -0.3498 -0.3498 0.2504 0.2516 3.8052 3.8092 6.7982 6.7982 9.6200 9.6205 10.2016 10.2048 12.1793 12.1830 k = 0.4904-0.2086 0.3358 ( 3325 PWs) bands (ev): -47.6750 -47.6750 -24.2785 -24.2784 -20.1226 -20.1172 -19.6934 -19.6798 -19.5357 -19.5337 -19.4850 -19.4748 -7.2650 -7.2647 -5.4839 -5.4838 -5.3419 -5.3391 -5.0654 -5.0617 -0.3551 -0.3551 0.2267 0.2279 3.8008 3.8049 6.7956 6.7956 9.5946 9.5951 10.1775 10.1807 12.2713 12.2750 k = 0.4908-0.1963 0.3307 ( 3325 PWs) bands (ev): -47.6750 -47.6750 -24.2795 -24.2794 -20.1172 -20.1116 -19.6944 -19.6804 -19.5355 -19.5334 -19.4888 -19.4782 -7.2550 -7.2547 -5.4809 -5.4808 -5.3556 -5.3530 -5.0543 -5.0508 -0.3604 -0.3604 0.2028 0.2040 3.7963 3.8004 6.7930 6.7930 9.5703 9.5706 10.1550 10.1581 12.3642 12.3680 k = 0.4912-0.1840 0.3256 ( 3322 PWs) bands (ev): -47.6750 -47.6750 -24.2805 -24.2804 -20.1116 -20.1059 -19.6955 -19.6810 -19.5354 -19.5330 -19.4927 -19.4815 -7.2448 -7.2445 -5.4779 -5.4778 -5.3702 -5.3678 -5.0425 -5.0392 -0.3658 -0.3657 0.1788 0.1800 3.7918 3.7958 6.7904 6.7904 9.5469 9.5473 10.1339 10.1370 12.4580 12.4619 k = 0.4916-0.1718 0.3205 ( 3323 PWs) bands (ev): -47.6750 -47.6750 -24.2815 -24.2814 -20.1059 -20.1001 -19.6966 -19.6818 -19.5353 -19.5327 -19.4965 -19.4849 -7.2343 -7.2340 -5.4749 -5.4748 -5.3855 -5.3833 -5.0300 -5.0269 -0.3712 -0.3711 0.1549 0.1560 3.7871 3.7912 6.7877 6.7878 9.5247 9.5250 10.1142 10.1172 12.5525 12.5565 k = 0.4920-0.1595 0.3154 ( 3327 PWs) bands (ev): -47.6750 -47.6750 -24.2825 -24.2825 -20.1002 -20.0942 -19.6978 -19.6827 -19.5353 -19.5324 -19.5003 -19.4883 -7.2237 -7.2234 -5.4719 -5.4718 -5.4014 -5.3993 -5.0172 -5.0142 -0.3765 -0.3765 0.1310 0.1321 3.7825 3.7865 6.7851 6.7851 9.5036 9.5039 10.0960 10.0989 12.6477 12.6516 k = 0.4925-0.1472 0.3103 ( 3329 PWs) bands (ev): -47.6750 -47.6750 -24.2835 -24.2835 -20.0944 -20.0883 -19.6990 -19.6838 -19.5353 -19.5321 -19.5041 -19.4917 -7.2129 -7.2126 -5.4691 -5.4689 -5.4175 -5.4157 -5.0040 -5.0013 -0.3819 -0.3818 0.1075 0.1085 3.7779 3.7817 6.7825 6.7825 9.4836 9.4838 10.0791 10.0819 12.7433 12.7473 k = 0.4929-0.1349 0.3052 ( 3333 PWs) bands (ev): -47.6751 -47.6751 -24.2845 -24.2844 -20.0885 -20.0824 -19.7003 -19.6849 -19.5353 -19.5319 -19.5077 -19.4949 -7.2021 -7.2018 -5.4664 -5.4661 -5.4337 -5.4322 -4.9908 -4.9882 -0.3871 -0.3871 0.0843 0.0853 3.7733 3.7771 6.7800 6.7800 9.4647 9.4649 10.0635 10.0662 12.8392 12.8432 k = 0.4933-0.1227 0.3001 ( 3335 PWs) bands (ev): -47.6751 -47.6751 -24.2855 -24.2854 -20.0827 -20.0766 -19.7016 -19.6862 -19.5354 -19.5317 -19.5112 -19.4981 -7.1913 -7.1910 -5.4646 -5.4639 -5.4493 -5.4482 -4.9776 -4.9752 -0.3923 -0.3922 0.0617 0.0626 3.7687 3.7724 6.7775 6.7775 9.4469 9.4471 10.0492 10.0518 12.9353 12.9393 k = 0.4937-0.1104 0.2950 ( 3336 PWs) bands (ev): -47.6751 -47.6751 -24.2864 -24.2863 -20.0769 -20.0708 -19.7029 -19.6876 -19.5356 -19.5316 -19.5145 -19.5012 -7.1806 -7.1803 -5.4701 -5.4682 -5.4578 -5.4574 -4.9646 -4.9623 -0.3973 -0.3972 0.0397 0.0406 3.7643 3.7678 6.7751 6.7751 9.4302 9.4303 10.0361 10.0386 13.0313 13.0353 k = 0.4941-0.0981 0.2899 ( 3334 PWs) bands (ev): -47.6751 -47.6751 -24.2873 -24.2872 -20.0712 -20.0651 -19.7042 -19.6890 -19.5358 -19.5315 -19.5175 -19.5041 -7.1700 -7.1697 -5.4848 -5.4832 -5.4565 -5.4562 -4.9518 -4.9497 -0.4021 -0.4021 0.0186 0.0194 3.7601 3.7634 6.7727 6.7728 9.4147 9.4147 10.0243 10.0266 13.1271 13.1310 k = 0.4946-0.0859 0.2848 ( 3324 PWs) bands (ev): -47.6751 -47.6751 -24.2882 -24.2881 -20.0656 -20.0596 -19.7055 -19.6906 -19.5360 -19.5317 -19.5201 -19.5068 -7.1596 -7.1593 -5.5003 -5.4989 -5.4541 -5.4539 -4.9393 -4.9374 -0.4067 -0.4067 -0.0017 -0.0009 3.7560 3.7591 6.7706 6.7706 9.4002 9.4002 10.0135 10.0157 13.2222 13.2260 k = 0.4950-0.0736 0.2797 ( 3320 PWs) bands (ev): -47.6751 -47.6751 -24.2890 -24.2889 -20.0601 -20.0543 -19.7067 -19.6923 -19.5364 -19.5321 -19.5222 -19.5093 -7.1495 -7.1492 -5.5156 -5.5143 -5.4517 -5.4516 -4.9274 -4.9256 -0.4111 -0.4111 -0.0210 -0.0202 3.7521 3.7551 6.7684 6.7685 9.3868 9.3868 10.0039 10.0059 13.3164 13.3202 k = 0.4954-0.0613 0.2746 ( 3325 PWs) bands (ev): -47.6751 -47.6751 -24.2897 -24.2897 -20.0548 -20.0492 -19.7080 -19.6941 -19.5370 -19.5330 -19.5238 -19.5116 -7.1398 -7.1396 -5.5303 -5.5292 -5.4494 -5.4493 -4.9160 -4.9143 -0.4153 -0.4153 -0.0392 -0.0385 3.7484 3.7511 6.7665 6.7665 9.3744 9.3745 9.9952 9.9971 13.4093 13.4129 k = 0.4958-0.0490 0.2695 ( 3321 PWs) bands (ev): -47.6751 -47.6751 -24.2905 -24.2904 -20.0497 -20.0443 -19.7091 -19.6959 -19.5375 -19.5343 -19.5247 -19.5136 -7.1305 -7.1303 -5.5443 -5.5433 -5.4472 -5.4471 -4.9053 -4.9038 -0.4192 -0.4192 -0.0561 -0.0555 3.7449 3.7475 6.7646 6.7646 9.3632 9.3632 9.9875 9.9893 13.5002 13.5037 k = 0.4962-0.0368 0.2644 ( 3327 PWs) bands (ev): -47.6751 -47.6751 -24.2911 -24.2911 -20.0449 -20.0399 -19.7102 -19.6978 -19.5383 -19.5359 -19.5251 -19.5154 -7.1218 -7.1216 -5.5574 -5.5565 -5.4452 -5.4451 -4.8953 -4.8940 -0.4228 -0.4228 -0.0718 -0.0712 3.7417 3.7440 6.7629 6.7629 9.3530 9.3530 9.9807 9.9823 13.5886 13.5919 k = 0.4966-0.0245 0.2593 ( 3330 PWs) bands (ev): -47.6751 -47.6751 -24.2917 -24.2917 -20.0404 -20.0357 -19.7112 -19.6998 -19.5390 -19.5375 -19.5253 -19.5170 -7.1137 -7.1136 -5.5695 -5.5688 -5.4433 -5.4433 -4.8862 -4.8850 -0.4261 -0.4261 -0.0860 -0.0855 3.7388 3.7409 6.7614 6.7614 9.3439 9.3439 9.9748 9.9762 13.6736 13.6767 k = 0.4971-0.0122 0.2542 ( 3330 PWs) bands (ev): -47.6751 -47.6751 -24.2923 -24.2922 -20.0363 -20.0320 -19.7120 -19.7017 -19.5399 -19.5390 -19.5253 -19.5184 -7.1064 -7.1062 -5.5805 -5.5799 -5.4416 -5.4416 -4.8779 -4.8769 -0.4291 -0.4290 -0.0988 -0.0984 3.7362 3.7380 6.7600 6.7600 9.3359 9.3359 9.9697 9.9710 13.7542 13.7571 k = 0.4975 0.0001 0.2491 ( 3331 PWs) bands (ev): -47.6751 -47.6751 -24.2928 -24.2927 -20.0326 -20.0288 -19.7126 -19.7035 -19.5407 -19.5403 -19.5252 -19.5195 -7.0998 -7.0997 -5.5903 -5.5897 -5.4402 -5.4402 -4.8706 -4.8697 -0.4317 -0.4316 -0.1100 -0.1097 3.7339 3.7355 6.7588 6.7588 9.3289 9.3289 9.9654 9.9665 13.8292 13.8319 k = 0.4979 0.0123 0.2440 ( 3329 PWs) bands (ev): -47.6751 -47.6751 -24.2932 -24.2931 -20.0292 -20.0260 -19.7131 -19.7053 -19.5415 -19.5415 -19.5250 -19.5204 -7.0941 -7.0940 -5.5987 -5.5983 -5.4389 -5.4389 -4.8643 -4.8636 -0.4339 -0.4339 -0.1196 -0.1193 3.7320 3.7333 6.7577 6.7577 9.3230 9.3230 9.9619 9.9628 13.8972 13.8995 k = 0.4983 0.0246 0.2389 ( 3325 PWs) bands (ev): -47.6751 -47.6751 -24.2935 -24.2935 -20.0264 -20.0237 -19.7133 -19.7070 -19.5424 -19.5422 -19.5247 -19.5212 -7.0893 -7.0892 -5.6058 -5.6054 -5.4379 -5.4379 -4.8591 -4.8585 -0.4357 -0.4357 -0.1276 -0.1273 3.7304 3.7315 6.7569 6.7569 9.3182 9.3182 9.9590 9.9598 13.9565 13.9585 k = 0.4987 0.0369 0.2338 ( 3325 PWs) bands (ev): -47.6751 -47.6751 -24.2938 -24.2937 -20.0241 -20.0220 -19.7133 -19.7085 -19.5431 -19.5429 -19.5244 -19.5219 -7.0855 -7.0855 -5.6113 -5.6110 -5.4371 -5.4371 -4.8550 -4.8545 -0.4371 -0.4371 -0.1338 -0.1336 3.7292 3.7300 6.7562 6.7562 9.3145 9.3145 9.9569 9.9574 14.0054 14.0069 k = 0.4992 0.0492 0.2288 ( 3326 PWs) bands (ev): -47.6751 -47.6751 -24.2939 -24.2939 -20.0223 -20.0209 -19.7131 -19.7099 -19.5436 -19.5434 -19.5241 -19.5225 -7.0828 -7.0828 -5.6153 -5.6151 -5.4365 -5.4365 -4.8520 -4.8517 -0.4382 -0.4382 -0.1382 -0.1381 3.7284 3.7289 6.7557 6.7557 9.3118 9.3118 9.9554 9.9557 14.0420 14.0431 k = 0.4996 0.0614 0.2237 ( 3332 PWs) bands (ev): -47.6751 -47.6751 -24.2941 -24.2941 -20.0211 -20.0204 -19.7127 -19.7110 -19.5439 -19.5437 -19.5238 -19.5230 -7.0812 -7.0811 -5.6177 -5.6176 -5.4361 -5.4361 -4.8502 -4.8500 -0.4388 -0.4388 -0.1409 -0.1409 3.7279 3.7282 6.7554 6.7554 9.3102 9.3102 9.9545 9.9547 14.0648 14.0654 k = 0.5000 0.0737 0.2186 ( 3330 PWs) bands (ev): -47.6751 -47.6751 -24.2941 -24.2941 -20.0204 -20.0204 -19.7120 -19.7120 -19.5439 -19.5439 -19.5234 -19.5234 -7.0806 -7.0806 -5.6185 -5.6185 -5.4360 -5.4360 -4.8495 -4.8495 -0.4390 -0.4390 -0.1418 -0.1418 3.7279 3.7279 6.7553 6.7553 9.3096 9.3096 9.9543 9.9543 14.0728 14.0728 k = 0.5000 0.0737 0.2186 ( 3330 PWs) bands (ev): -47.6751 -47.6751 -24.2941 -24.2941 -20.0204 -20.0204 -19.7120 -19.7120 -19.5439 -19.5439 -19.5234 -19.5234 -7.0806 -7.0806 -5.6185 -5.6185 -5.4360 -5.4360 -4.8495 -4.8495 -0.4390 -0.4390 -0.1418 -0.1418 3.7279 3.7279 6.7553 6.7553 9.3096 9.3096 9.9543 9.9543 14.0728 14.0728 k = 0.4944 0.0785 0.2296 ( 3332 PWs) bands (ev): -47.6751 -47.6751 -24.2941 -24.2941 -20.0209 -20.0202 -19.7130 -19.7109 -19.5444 -19.5433 -19.5240 -19.5228 -7.0805 -7.0805 -5.6187 -5.6181 -5.4368 -5.4361 -4.8496 -4.8496 -0.4400 -0.4394 -0.1418 -0.1413 3.7283 3.7284 6.7545 6.7547 9.3109 9.3112 9.9556 9.9557 14.0731 14.0733 k = 0.4889 0.0833 0.2407 ( 3328 PWs) bands (ev): -47.6751 -47.6751 -24.2939 -24.2939 -20.0216 -20.0201 -19.7138 -19.7097 -19.5449 -19.5426 -19.5245 -19.5221 -7.0804 -7.0804 -5.6187 -5.6176 -5.4383 -5.4370 -4.8500 -4.8499 -0.4422 -0.4412 -0.1413 -0.1403 3.7297 3.7298 6.7523 6.7526 9.3150 9.3155 9.9597 9.9598 14.0743 14.0747 k = 0.4833 0.0881 0.2518 ( 3324 PWs) bands (ev): -47.6751 -47.6751 -24.2937 -24.2937 -20.0225 -20.0203 -19.7146 -19.7084 -19.5453 -19.5419 -19.5250 -19.5214 -7.0801 -7.0801 -5.6187 -5.6170 -5.4407 -5.4387 -4.8505 -4.8503 -0.4458 -0.4443 -0.1403 -0.1388 3.7319 3.7321 6.7485 6.7490 9.3219 9.3225 9.9664 9.9667 14.0762 14.0769 k = 0.4778 0.0929 0.2629 ( 3330 PWs) bands (ev): -47.6751 -47.6751 -24.2935 -24.2935 -20.0236 -20.0207 -19.7153 -19.7071 -19.5457 -19.5411 -19.5255 -19.5206 -7.0797 -7.0797 -5.6186 -5.6163 -5.4439 -5.4412 -4.8513 -4.8511 -0.4508 -0.4488 -0.1388 -0.1369 3.7350 3.7353 6.7433 6.7440 9.3315 9.3324 9.9759 9.9762 14.0788 14.0798 k = 0.4722 0.0977 0.2740 ( 3330 PWs) bands (ev): -47.6751 -47.6751 -24.2931 -24.2931 -20.0249 -20.0213 -19.7158 -19.7057 -19.5460 -19.5403 -19.5259 -19.5198 -7.0792 -7.0792 -5.6185 -5.6155 -5.4476 -5.4442 -4.8522 -4.8520 -0.4569 -0.4545 -0.1368 -0.1345 3.7390 3.7394 6.7368 6.7376 9.3439 9.3450 9.9880 9.9884 14.0819 14.0830 k = 0.4667 0.1025 0.2851 ( 3334 PWs) bands (ev): -47.6751 -47.6751 -24.2927 -24.2927 -20.0264 -20.0222 -19.7163 -19.7043 -19.5462 -19.5394 -19.5263 -19.5189 -7.0786 -7.0785 -5.6185 -5.6149 -5.4519 -5.4478 -4.8534 -4.8531 -0.4643 -0.4615 -0.1345 -0.1318 3.7439 3.7443 6.7288 6.7299 9.3590 9.3602 10.0028 10.0033 14.0850 14.0865 k = 0.4611 0.1073 0.2962 ( 3328 PWs) bands (ev): -47.6750 -47.6750 -24.2922 -24.2922 -20.0280 -20.0232 -19.7166 -19.7028 -19.5464 -19.5385 -19.5266 -19.5180 -7.0779 -7.0778 -5.6188 -5.6145 -5.4566 -5.4516 -4.8548 -4.8545 -0.4727 -0.4696 -0.1316 -0.1287 3.7496 3.7501 6.7196 6.7208 9.3767 9.3781 10.0202 10.0207 14.0880 14.0897 k = 0.4556 0.1121 0.3073 ( 3328 PWs) bands (ev): -47.6750 -47.6750 -24.2916 -24.2916 -20.0299 -20.0244 -19.7168 -19.7013 -19.5465 -19.5375 -19.5270 -19.5170 -7.0771 -7.0770 -5.6195 -5.6144 -5.4614 -5.4557 -4.8565 -4.8561 -0.4822 -0.4789 -0.1285 -0.1252 3.7560 3.7566 6.7092 6.7105 9.3970 9.3986 10.0401 10.0408 14.0903 14.0922 k = 0.4500 0.1169 0.3184 ( 3324 PWs) bands (ev): -47.6750 -47.6750 -24.2910 -24.2909 -20.0318 -20.0258 -19.7169 -19.6997 -19.5466 -19.5364 -19.5273 -19.5159 -7.0762 -7.0761 -5.6207 -5.6149 -5.4662 -5.4596 -4.8583 -4.8579 -0.4928 -0.4892 -0.1249 -0.1215 3.7632 3.7638 6.6976 6.6991 9.4199 9.4217 10.0626 10.0633 14.0912 14.0934 k = 0.4444 0.1217 0.3295 ( 3326 PWs) bands (ev): -47.6750 -47.6750 -24.2902 -24.2902 -20.0339 -20.0274 -19.7170 -19.6981 -19.5466 -19.5353 -19.5275 -19.5149 -7.0752 -7.0751 -5.6227 -5.6162 -5.4706 -5.4633 -4.8604 -4.8599 -0.5043 -0.5005 -0.1211 -0.1175 3.7711 3.7718 6.6848 6.6865 9.4452 9.4471 10.0875 10.0882 14.0899 14.0923 k = 0.4389 0.1265 0.3406 ( 3328 PWs) bands (ev): -47.6749 -47.6749 -24.2895 -24.2895 -20.0362 -20.0292 -19.7169 -19.6966 -19.5466 -19.5341 -19.5278 -19.5137 -7.0742 -7.0740 -5.6257 -5.6186 -5.4743 -5.4663 -4.8628 -4.8622 -0.5167 -0.5127 -0.1170 -0.1133 3.7796 3.7804 6.6711 6.6729 9.4729 9.4750 10.1148 10.1156 14.0854 14.0881 k = 0.4333 0.1313 0.3517 ( 3332 PWs) bands (ev): -47.6749 -47.6749 -24.2887 -24.2887 -20.0386 -20.0311 -19.7168 -19.6950 -19.5466 -19.5329 -19.5281 -19.5126 -7.0730 -7.0729 -5.6299 -5.6223 -5.4771 -5.4686 -4.8653 -4.8647 -0.5298 -0.5258 -0.1126 -0.1088 3.7887 3.7895 6.6564 6.6583 9.5030 9.5052 10.1444 10.1452 14.0764 14.0794 k = 0.4278 0.1361 0.3628 ( 3332 PWs) bands (ev): -47.6749 -47.6749 -24.2878 -24.2878 -20.0410 -20.0332 -19.7166 -19.6935 -19.5465 -19.5317 -19.5282 -19.5113 -7.0718 -7.0716 -5.6354 -5.6275 -5.4787 -5.4698 -4.8681 -4.8675 -0.5437 -0.5396 -0.1080 -0.1041 3.7984 3.7993 6.6408 6.6429 9.5353 9.5376 10.1762 10.1771 14.0616 14.0648 k = 0.4222 0.1409 0.3738 ( 3330 PWs) bands (ev): -47.6748 -47.6748 -24.2868 -24.2868 -20.0436 -20.0354 -19.7163 -19.6919 -19.5464 -19.5304 -19.5284 -19.5101 -7.0705 -7.0703 -5.6423 -5.6342 -5.4789 -5.4698 -4.8712 -4.8705 -0.5582 -0.5541 -0.1032 -0.0993 3.8086 3.8094 6.6245 6.6267 9.5697 9.5722 10.2102 10.2112 14.0394 14.0428 k = 0.4167 0.1457 0.3849 ( 3330 PWs) bands (ev): -47.6748 -47.6748 -24.2859 -24.2859 -20.0462 -20.0377 -19.7159 -19.6904 -19.5462 -19.5291 -19.5285 -19.5087 -7.0691 -7.0689 -5.6506 -5.6426 -5.4777 -5.4685 -4.8745 -4.8737 -0.5733 -0.5692 -0.0983 -0.0944 3.8191 3.8201 6.6076 6.6099 9.6062 9.6088 10.2463 10.2473 14.0086 14.0122 k = 0.4111 0.1504 0.3960 ( 3324 PWs) bands (ev): -47.6747 -47.6747 -24.2849 -24.2849 -20.0488 -20.0401 -19.7155 -19.6889 -19.5460 -19.5288 -19.5275 -19.5074 -7.0677 -7.0675 -5.6602 -5.6524 -5.4751 -5.4660 -4.8780 -4.8772 -0.5890 -0.5848 -0.0932 -0.0893 3.8301 3.8311 6.5900 6.5925 9.6447 9.6474 10.2844 10.2854 13.9685 13.9721 k = 0.4056 0.1552 0.4071 ( 3322 PWs) bands (ev): -47.6747 -47.6747 -24.2838 -24.2838 -20.0516 -20.0425 -19.7150 -19.6875 -19.5458 -19.5289 -19.5260 -19.5060 -7.0662 -7.0660 -5.6710 -5.6635 -5.4712 -5.4624 -4.8818 -4.8810 -0.6050 -0.6009 -0.0880 -0.0842 3.8414 3.8424 6.5720 6.5745 9.6851 9.6879 10.3243 10.3254 13.9191 13.9227 k = 0.4000 0.1600 0.4182 ( 3326 PWs) bands (ev): -47.6747 -47.6747 -24.2827 -24.2827 -20.0543 -20.0451 -19.7145 -19.6862 -19.5456 -19.5290 -19.5246 -19.5046 -7.0647 -7.0645 -5.6830 -5.6758 -5.4662 -5.4577 -4.8859 -4.8850 -0.6214 -0.6173 -0.0828 -0.0790 3.8529 3.8539 6.5535 6.5562 9.7273 9.7302 10.3660 10.3671 13.8609 13.8645 k = 0.3944 0.1648 0.4293 ( 3326 PWs) bands (ev): -47.6746 -47.6746 -24.2816 -24.2816 -20.0571 -20.0477 -19.7139 -19.6848 -19.5453 -19.5292 -19.5230 -19.5032 -7.0631 -7.0629 -5.6958 -5.6890 -5.4602 -5.4520 -4.8903 -4.8893 -0.6380 -0.6341 -0.0775 -0.0737 3.8646 3.8656 6.5348 6.5375 9.7712 9.7742 10.4094 10.4105 13.7951 13.7987 k = 0.3889 0.1696 0.4404 ( 3328 PWs) bands (ev): -47.6746 -47.6746 -24.2805 -24.2805 -20.0599 -20.0503 -19.7134 -19.6836 -19.5451 -19.5293 -19.5215 -19.5018 -7.0616 -7.0613 -5.7093 -5.7029 -5.4533 -5.4454 -4.8949 -4.8939 -0.6549 -0.6510 -0.0721 -0.0685 3.8764 3.8774 6.5159 6.5187 9.8167 9.8197 10.4543 10.4555 13.7230 13.7266 k = 0.3833 0.1744 0.4515 ( 3328 PWs) bands (ev): -47.6745 -47.6745 -24.2794 -24.2794 -20.0626 -20.0530 -19.7128 -19.6824 -19.5448 -19.5294 -19.5199 -19.5004 -7.0600 -7.0597 -5.7233 -5.7173 -5.4456 -5.4381 -4.8998 -4.8987 -0.6718 -0.6680 -0.0667 -0.0632 3.8883 3.8893 6.4968 6.4997 9.8637 9.8668 10.5006 10.5019 13.6459 13.6496 k = 0.3778 0.1792 0.4626 ( 3328 PWs) bands (ev): -47.6745 -47.6745 -24.2782 -24.2782 -20.0654 -20.0556 -19.7122 -19.6812 -19.5446 -19.5295 -19.5183 -19.4990 -7.0583 -7.0581 -5.7378 -5.7321 -5.4373 -5.4301 -4.9049 -4.9038 -0.6887 -0.6850 -0.0614 -0.0579 3.9001 3.9012 6.4778 6.4808 9.9122 9.9153 10.5483 10.5495 13.5651 13.5687 k = 0.3722 0.1840 0.4737 ( 3328 PWs) bands (ev): -47.6744 -47.6744 -24.2770 -24.2770 -20.0681 -20.0583 -19.7115 -19.6801 -19.5443 -19.5296 -19.5167 -19.4976 -7.0567 -7.0565 -5.7525 -5.7472 -5.4284 -5.4215 -4.9104 -4.9092 -0.7057 -0.7021 -0.0561 -0.0527 3.9120 3.9131 6.4588 6.4619 9.9619 9.9651 10.5971 10.5984 13.4815 13.4851 k = 0.3667 0.1888 0.4848 ( 3328 PWs) bands (ev): -47.6744 -47.6744 -24.2759 -24.2759 -20.0708 -20.0609 -19.7109 -19.6791 -19.5440 -19.5296 -19.5150 -19.4962 -7.0551 -7.0548 -5.7674 -5.7624 -5.4191 -5.4124 -4.9160 -4.9148 -0.7224 -0.7190 -0.0508 -0.0476 3.9237 3.9248 6.4400 6.4431 10.0129 10.0161 10.6469 10.6482 13.3959 13.3995 k = 0.3611 0.1936 0.4959 ( 3332 PWs) bands (ev): -47.6743 -47.6743 -24.2748 -24.2748 -20.0735 -20.0636 -19.7103 -19.6782 -19.5438 -19.5297 -19.5134 -19.4949 -7.0535 -7.0532 -5.7823 -5.7776 -5.4092 -5.4029 -4.9220 -4.9208 -0.7390 -0.7357 -0.0457 -0.0425 3.9353 3.9364 6.4214 6.4246 10.0650 10.0683 10.6975 10.6989 13.3090 13.3125 k = 0.3556 0.1984 0.5070 ( 3332 PWs) bands (ev): -47.6743 -47.6743 -24.2736 -24.2736 -20.0760 -20.0661 -19.7096 -19.6773 -19.5435 -19.5298 -19.5118 -19.4936 -7.0519 -7.0516 -5.7971 -5.7927 -5.3991 -5.3929 -4.9282 -4.9269 -0.7553 -0.7521 -0.0406 -0.0376 3.9467 3.9477 6.4032 6.4064 10.1181 10.1215 10.7489 10.7503 13.2213 13.2247 k = 0.3500 0.2032 0.5180 ( 3340 PWs) bands (ev): -47.6743 -47.6743 -24.2725 -24.2725 -20.0786 -20.0687 -19.7091 -19.6765 -19.5433 -19.5299 -19.5102 -19.4923 -7.0504 -7.0501 -5.8117 -5.8076 -5.3886 -5.3827 -4.9347 -4.9334 -0.7713 -0.7682 -0.0357 -0.0327 3.9577 3.9588 6.3853 6.3886 10.1722 10.1755 10.8007 10.8022 13.1331 13.1365 k = 0.3444 0.2080 0.5291 ( 3330 PWs) bands (ev): -47.6742 -47.6742 -24.2714 -24.2714 -20.0810 -20.0711 -19.7084 -19.6756 -19.5430 -19.5299 -19.5086 -19.4910 -7.0488 -7.0485 -5.8260 -5.8221 -5.3778 -5.3721 -4.9414 -4.9400 -0.7867 -0.7838 -0.0308 -0.0281 3.9685 3.9695 6.3680 6.3714 10.2270 10.2304 10.8530 10.8545 13.0450 13.0483 k = 0.3389 0.2128 0.5402 ( 3332 PWs) bands (ev): -47.6742 -47.6742 -24.2704 -24.2704 -20.0833 -20.0735 -19.7078 -19.6749 -19.5428 -19.5299 -19.5070 -19.4898 -7.0473 -7.0470 -5.8399 -5.8362 -5.3669 -5.3614 -4.9484 -4.9469 -0.8018 -0.7990 -0.0262 -0.0235 3.9789 3.9799 6.3512 6.3547 10.2825 10.2860 10.9054 10.9069 12.9571 12.9604 k = 0.3333 0.2176 0.5513 ( 3334 PWs) bands (ev): -47.6741 -47.6741 -24.2693 -24.2693 -20.0856 -20.0757 -19.7073 -19.6743 -19.5425 -19.5300 -19.5055 -19.4886 -7.0459 -7.0456 -5.8534 -5.8499 -5.3558 -5.3505 -4.9555 -4.9540 -0.8162 -0.8136 -0.0217 -0.0192 3.9889 3.9899 6.3351 6.3386 10.3385 10.3420 10.9578 10.9594 12.8698 12.8730 k = 0.3278 0.2224 0.5624 ( 3330 PWs) bands (ev): -47.6741 -47.6741 -24.2684 -24.2684 -20.0877 -20.0779 -19.7067 -19.6736 -19.5423 -19.5300 -19.5040 -19.4875 -7.0445 -7.0442 -5.8664 -5.8631 -5.3446 -5.3395 -4.9629 -4.9613 -0.8300 -0.8275 -0.0175 -0.0150 3.9985 3.9994 6.3197 6.3232 10.3949 10.3984 11.0099 11.0116 12.7832 12.7864 k = 0.3222 0.2272 0.5735 ( 3338 PWs) bands (ev): -47.6740 -47.6740 -24.2674 -24.2674 -20.0897 -20.0800 -19.7062 -19.6731 -19.5421 -19.5301 -19.5027 -19.4865 -7.0432 -7.0429 -5.8787 -5.8756 -5.3334 -5.3285 -4.9704 -4.9688 -0.8432 -0.8408 -0.0134 -0.0111 4.0076 4.0085 6.3051 6.3086 10.4514 10.4550 11.0617 11.0635 12.6976 12.7007 k = 0.3167 0.2320 0.5846 ( 3332 PWs) bands (ev): -47.6740 -47.6740 -24.2665 -24.2665 -20.0916 -20.0819 -19.7057 -19.6726 -19.5419 -19.5301 -19.5013 -19.4855 -7.0420 -7.0416 -5.8904 -5.8875 -5.3222 -5.3174 -4.9780 -4.9764 -0.8556 -0.8534 -0.0096 -0.0074 4.0162 4.0170 6.2913 6.2949 10.5079 10.5115 11.1129 11.1147 12.6132 12.6161 k = 0.3111 0.2368 0.5957 ( 3336 PWs) bands (ev): -47.6740 -47.6740 -24.2657 -24.2657 -20.0934 -20.0837 -19.7053 -19.6721 -19.5417 -19.5301 -19.5001 -19.4846 -7.0408 -7.0404 -5.9015 -5.8987 -5.3111 -5.3065 -4.9857 -4.9841 -0.8672 -0.8651 -0.0060 -0.0039 4.0242 4.0249 6.2783 6.2820 10.5640 10.5676 11.1633 11.1652 12.5301 12.5329 k = 0.3056 0.2416 0.6068 ( 3332 PWs) bands (ev): -47.6739 -47.6739 -24.2649 -24.2649 -20.0950 -20.0854 -19.7048 -19.6717 -19.5415 -19.5301 -19.4989 -19.4837 -7.0397 -7.0393 -5.9117 -5.9090 -5.3002 -5.2958 -4.9934 -4.9918 -0.8780 -0.8760 -0.0027 -0.0007 4.0316 4.0323 6.2664 6.2701 10.6194 10.6231 11.2127 11.2148 12.4486 12.4513 k = 0.3000 0.2464 0.6179 ( 3334 PWs) bands (ev): -47.6739 -47.6739 -24.2642 -24.2642 -20.0965 -20.0869 -19.7045 -19.6713 -19.5414 -19.5301 -19.4978 -19.4830 -7.0387 -7.0383 -5.9211 -5.9185 -5.2896 -5.2853 -5.0011 -4.9995 -0.8879 -0.8860 0.0003 0.0022 4.0384 4.0391 6.2554 6.2591 10.6737 10.6774 11.2611 11.2632 12.3689 12.3715 k = 0.2944 0.2512 0.6290 ( 3330 PWs) bands (ev): -47.6739 -47.6739 -24.2636 -24.2636 -20.0978 -20.0883 -19.7041 -19.6710 -19.5412 -19.5301 -19.4968 -19.4823 -7.0377 -7.0374 -5.9296 -5.9272 -5.2794 -5.2752 -5.0086 -5.0070 -0.8968 -0.8951 0.0031 0.0049 4.0446 4.0452 6.2454 6.2492 10.7263 10.7300 11.3081 11.3105 12.2914 12.2938 k = 0.2889 0.2560 0.6401 ( 3328 PWs) bands (ev): -47.6739 -47.6739 -24.2630 -24.2630 -20.0990 -20.0896 -19.7038 -19.6707 -19.5411 -19.5302 -19.4959 -19.4816 -7.0369 -7.0366 -5.9372 -5.9349 -5.2696 -5.2656 -5.0159 -5.0143 -0.9048 -0.9032 0.0056 0.0073 4.0501 4.0506 6.2366 6.2403 10.7766 10.7803 11.3539 11.3564 12.2163 12.2184 k = 0.2833 0.2608 0.6512 ( 3332 PWs) bands (ev): -47.6738 -47.6738 -24.2625 -24.2625 -20.1001 -20.0906 -19.7035 -19.6705 -19.5410 -19.5302 -19.4952 -19.4811 -7.0362 -7.0358 -5.9439 -5.9416 -5.2605 -5.2567 -5.0228 -5.0213 -0.9118 -0.9103 0.0077 0.0093 4.0549 4.0554 6.2288 6.2326 10.8237 10.8274 11.3984 11.4011 12.1440 12.1460 k = 0.2778 0.2656 0.6622 ( 3334 PWs) bands (ev): -47.6738 -47.6738 -24.2620 -24.2620 -20.1010 -20.0916 -19.7033 -19.6703 -19.5409 -19.5302 -19.4945 -19.4807 -7.0356 -7.0352 -5.9495 -5.9474 -5.2523 -5.2486 -5.0292 -5.0278 -0.9177 -0.9164 0.0096 0.0111 4.0590 4.0594 6.2222 6.2260 10.8666 10.8703 11.4414 11.4444 12.0753 12.0769 k = 0.2722 0.2704 0.6733 ( 3336 PWs) bands (ev): -47.6738 -47.6738 -24.2617 -24.2617 -20.1017 -20.0923 -19.7031 -19.6701 -19.5408 -19.5302 -19.4939 -19.4803 -7.0351 -7.0347 -5.9542 -5.9521 -5.2451 -5.2415 -5.0348 -5.0335 -0.9226 -0.9214 0.0111 0.0126 4.0624 4.0627 6.2167 6.2205 10.9043 10.9080 11.4828 11.4862 12.0111 12.0123 k = 0.2667 0.2752 0.6844 ( 3332 PWs) bands (ev): -47.6738 -47.6738 -24.2614 -24.2614 -20.1023 -20.0929 -19.7030 -19.6700 -19.5407 -19.5302 -19.4935 -19.4800 -7.0347 -7.0343 -5.9579 -5.9559 -5.2391 -5.2357 -5.0395 -5.0383 -0.9265 -0.9253 0.0123 0.0137 4.0651 4.0653 6.2125 6.2163 10.9354 10.9391 11.5219 11.5258 11.9529 11.9536 k = 0.2611 0.2800 0.6955 ( 3324 PWs) bands (ev): -47.6738 -47.6738 -24.2612 -24.2612 -20.1027 -20.0934 -19.7028 -19.6698 -19.5407 -19.5302 -19.4931 -19.4797 -7.0344 -7.0340 -5.9605 -5.9585 -5.2346 -5.2313 -5.0430 -5.0420 -0.9292 -0.9280 0.0131 0.0145 4.0670 4.0672 6.2095 6.2133 10.9588 10.9624 11.5567 11.5613 11.9034 11.9037 k = 0.2556 0.2848 0.7066 ( 3324 PWs) bands (ev): -47.6738 -47.6738 -24.2611 -24.2611 -20.1029 -20.0936 -19.7028 -19.6698 -19.5406 -19.5302 -19.4929 -19.4796 -7.0342 -7.0339 -5.9621 -5.9601 -5.2318 -5.2286 -5.0452 -5.0443 -0.9308 -0.9297 0.0136 0.0150 4.0682 4.0683 6.2077 6.2115 10.9733 10.9769 11.5828 11.5881 11.8676 11.8683 k = 0.2500 0.2896 0.7177 ( 3328 PWs) bands (ev): -47.6738 -47.6738 -24.2610 -24.2610 -20.1030 -20.0937 -19.7027 -19.6698 -19.5406 -19.5302 -19.4929 -19.4796 -7.0342 -7.0338 -5.9627 -5.9607 -5.2309 -5.2277 -5.0460 -5.0451 -0.9314 -0.9303 0.0138 0.0152 4.0686 4.0686 6.2070 6.2109 10.9782 10.9818 11.5930 11.5987 11.8539 11.8550 k = 0.3354-0.2896 0.7177 ( 3338 PWs) bands (ev): -47.6741 -47.6741 -24.2601 -24.2600 -20.0890 -20.0885 -19.7027 -19.6970 -19.5489 -19.5423 -19.4930 -19.4913 -7.2808 -7.2805 -5.8188 -5.8171 -5.1817 -5.1795 -5.0457 -5.0449 -0.6205 -0.6171 0.3929 0.3959 3.9118 3.9147 6.2771 6.2805 10.7223 10.7247 11.3873 11.3930 11.6636 11.6676 k = 0.3408-0.2943 0.7068 ( 3334 PWs) bands (ev): -47.6742 -47.6742 -24.2603 -24.2602 -20.0946 -20.0941 -19.7014 -19.6957 -19.5483 -19.5419 -19.4899 -19.4882 -7.2855 -7.2851 -5.8042 -5.8026 -5.1893 -5.1873 -5.0470 -5.0462 -0.6035 -0.6001 0.4006 0.4036 3.9105 3.9133 6.3040 6.3073 10.7198 10.7223 11.3384 11.3439 11.6187 11.6227 k = 0.3463-0.2990 0.6958 ( 3336 PWs) bands (ev): -47.6742 -47.6742 -24.2606 -24.2605 -20.1001 -20.0996 -19.7001 -19.6946 -19.5478 -19.5416 -19.4868 -19.4851 -7.2902 -7.2898 -5.7893 -5.7877 -5.1969 -5.1949 -5.0483 -5.0475 -0.5864 -0.5830 0.4081 0.4110 3.9087 3.9115 6.3313 6.3345 10.7130 10.7156 11.2875 11.2927 11.5777 11.5814 k = 0.3518-0.3037 0.6849 ( 3328 PWs) bands (ev): -47.6742 -47.6742 -24.2609 -24.2608 -20.1055 -20.1049 -19.6987 -19.6934 -19.5472 -19.5412 -19.4837 -19.4821 -7.2949 -7.2946 -5.7740 -5.7725 -5.2043 -5.2024 -5.0496 -5.0488 -0.5691 -0.5658 0.4153 0.4182 3.9067 3.9094 6.3590 6.3620 10.7018 10.7044 11.2360 11.2408 11.5396 11.5431 k = 0.3573-0.3085 0.6740 ( 3326 PWs) bands (ev): -47.6743 -47.6743 -24.2612 -24.2611 -20.1108 -20.1102 -19.6975 -19.6922 -19.5466 -19.5408 -19.4807 -19.4791 -7.2997 -7.2994 -5.7585 -5.7571 -5.2115 -5.2098 -5.0510 -5.0502 -0.5518 -0.5486 0.4222 0.4251 3.9043 3.9070 6.3869 6.3898 10.6860 10.6885 11.1850 11.1894 11.5041 11.5072 k = 0.3627-0.3132 0.6630 ( 3324 PWs) bands (ev): -47.6743 -47.6743 -24.2615 -24.2615 -20.1160 -20.1153 -19.6962 -19.6912 -19.5461 -19.5405 -19.4777 -19.4761 -7.3045 -7.3042 -5.7428 -5.7415 -5.2186 -5.2170 -5.0523 -5.0515 -0.5346 -0.5314 0.4289 0.4317 3.9017 3.9042 6.4149 6.4177 10.6653 10.6677 11.1359 11.1398 11.4705 11.4734 k = 0.3682-0.3179 0.6521 ( 3319 PWs) bands (ev): -47.6744 -47.6744 -24.2619 -24.2618 -20.1210 -20.1203 -19.6950 -19.6901 -19.5455 -19.5402 -19.4748 -19.4732 -7.3093 -7.3089 -5.7270 -5.7258 -5.2256 -5.2240 -5.0536 -5.0528 -0.5174 -0.5143 0.4352 0.4380 3.8988 3.9013 6.4430 6.4457 10.6397 10.6420 11.0896 11.0931 11.4387 11.4413 k = 0.3737-0.3227 0.6412 ( 3317 PWs) bands (ev): -47.6744 -47.6744 -24.2623 -24.2622 -20.1258 -20.1252 -19.6939 -19.6891 -19.5450 -19.5399 -19.4719 -19.4703 -7.3141 -7.3137 -5.7113 -5.7102 -5.2323 -5.2308 -5.0549 -5.0541 -0.5004 -0.4974 0.4413 0.4441 3.8957 3.8982 6.4710 6.4735 10.6093 10.6114 11.0469 11.0500 11.4085 11.4109 k = 0.3792-0.3274 0.6302 ( 3308 PWs) bands (ev): -47.6744 -47.6744 -24.2627 -24.2626 -20.1305 -20.1298 -19.6927 -19.6881 -19.5444 -19.5395 -19.4691 -19.4675 -7.3187 -7.3183 -5.6956 -5.6946 -5.2388 -5.2374 -5.0561 -5.0553 -0.4837 -0.4807 0.4471 0.4498 3.8925 3.8948 6.4987 6.5011 10.5743 10.5762 11.0081 11.0108 11.3798 11.3819 k = 0.3847-0.3321 0.6193 ( 3306 PWs) bands (ev): -47.6745 -47.6745 -24.2630 -24.2630 -20.1350 -20.1343 -19.6917 -19.6872 -19.5439 -19.5392 -19.4664 -19.4649 -7.3233 -7.3229 -5.6802 -5.6793 -5.2452 -5.2438 -5.0573 -5.0565 -0.4672 -0.4643 0.4526 0.4552 3.8891 3.8914 6.5262 6.5284 10.5355 10.5372 10.9732 10.9756 11.3525 11.3545 k = 0.3901-0.3368 0.6084 ( 3314 PWs) bands (ev): -47.6745 -47.6745 -24.2634 -24.2634 -20.1394 -20.1387 -19.6907 -19.6864 -19.5434 -19.5390 -19.4638 -19.4623 -7.3278 -7.3274 -5.6650 -5.6642 -5.2512 -5.2500 -5.0585 -5.0578 -0.4512 -0.4484 0.4578 0.4603 3.8856 3.8878 6.5531 6.5553 10.4936 10.4951 10.9418 10.9439 11.3269 11.3287 k = 0.3956-0.3416 0.5974 ( 3314 PWs) bands (ev): -47.6745 -47.6745 -24.2638 -24.2637 -20.1435 -20.1428 -19.6897 -19.6856 -19.5429 -19.5388 -19.4614 -19.4598 -7.3321 -7.3317 -5.6501 -5.6494 -5.2571 -5.2559 -5.0597 -5.0589 -0.4356 -0.4329 0.4626 0.4651 3.8821 3.8842 6.5795 6.5815 10.4497 10.4510 10.9135 10.9154 11.3028 11.3045 k = 0.4011-0.3463 0.5865 ( 3312 PWs) bands (ev): -47.6746 -47.6746 -24.2642 -24.2641 -20.1475 -20.1467 -19.6888 -19.6848 -19.5424 -19.5385 -19.4590 -19.4575 -7.3363 -7.3359 -5.6357 -5.6350 -5.2626 -5.2615 -5.0608 -5.0600 -0.4206 -0.4180 0.4673 0.4696 3.8785 3.8805 6.6052 6.6071 10.4047 10.4059 10.8879 10.8895 11.2804 11.2820 k = 0.4066-0.3510 0.5755 ( 3314 PWs) bands (ev): -47.6746 -47.6746 -24.2646 -24.2645 -20.1512 -20.1504 -19.6879 -19.6841 -19.5420 -19.5383 -19.4568 -19.4552 -7.3403 -7.3399 -5.6217 -5.6211 -5.2678 -5.2669 -5.0619 -5.0611 -0.4061 -0.4036 0.4716 0.4738 3.8750 3.8769 6.6301 6.6318 10.3596 10.3606 10.8644 10.8658 11.2597 11.2612 k = 0.4120-0.3558 0.5646 ( 3308 PWs) bands (ev): -47.6746 -47.6746 -24.2649 -24.2649 -20.1547 -20.1539 -19.6871 -19.6835 -19.5415 -19.5381 -19.4546 -19.4531 -7.3441 -7.3438 -5.6084 -5.6079 -5.2728 -5.2719 -5.0629 -5.0621 -0.3923 -0.3899 0.4756 0.4777 3.8715 3.8733 6.6540 6.6556 10.3150 10.3159 10.8427 10.8441 11.2406 11.2420 k = 0.4175-0.3605 0.5537 ( 3308 PWs) bands (ev): -47.6747 -47.6747 -24.2653 -24.2652 -20.1579 -20.1571 -19.6863 -19.6829 -19.5410 -19.5379 -19.4527 -19.4512 -7.3477 -7.3474 -5.5957 -5.5952 -5.2774 -5.2766 -5.0638 -5.0630 -0.3792 -0.3770 0.4793 0.4813 3.8681 3.8699 6.6768 6.6782 10.2717 10.2726 10.8226 10.8239 11.2233 11.2246 k = 0.4230-0.3652 0.5427 ( 3307 PWs) bands (ev): -47.6747 -47.6747 -24.2656 -24.2656 -20.1610 -20.1601 -19.6856 -19.6823 -19.5406 -19.5377 -19.4508 -19.4493 -7.3511 -7.3508 -5.5837 -5.5833 -5.2817 -5.2810 -5.0647 -5.0639 -0.3669 -0.3648 0.4827 0.4846 3.8649 3.8665 6.6983 6.6996 10.2303 10.2311 10.8040 10.8053 11.2075 11.2087 k = 0.4285-0.3699 0.5318 ( 3311 PWs) bands (ev): -47.6747 -47.6747 -24.2659 -24.2659 -20.1638 -20.1630 -19.6850 -19.6818 -19.5402 -19.5376 -19.4491 -19.4476 -7.3542 -7.3539 -5.5725 -5.5722 -5.2857 -5.2850 -5.0655 -5.0648 -0.3554 -0.3535 0.4858 0.4876 3.8617 3.8633 6.7185 6.7197 10.1912 10.1919 10.7868 10.7881 11.1934 11.1946 k = 0.4339-0.3747 0.5209 ( 3312 PWs) bands (ev): -47.6748 -47.6748 -24.2662 -24.2662 -20.1663 -20.1655 -19.6844 -19.6814 -19.5398 -19.5375 -19.4476 -19.4461 -7.3571 -7.3568 -5.5622 -5.5619 -5.2894 -5.2887 -5.0663 -5.0655 -0.3449 -0.3431 0.4886 0.4902 3.8588 3.8603 6.7372 6.7383 10.1548 10.1555 10.7710 10.7723 11.1809 11.1819 k = 0.4394-0.3794 0.5099 ( 3312 PWs) bands (ev): -47.6748 -47.6748 -24.2665 -24.2664 -20.1686 -20.1678 -19.6838 -19.6810 -19.5395 -19.5374 -19.4462 -19.4447 -7.3597 -7.3595 -5.5528 -5.5526 -5.2927 -5.2920 -5.0669 -5.0662 -0.3353 -0.3337 0.4912 0.4926 3.8561 3.8575 6.7544 6.7553 10.1215 10.1221 10.7566 10.7579 11.1699 11.1708 k = 0.4449-0.3841 0.4990 ( 3308 PWs) bands (ev): -47.6748 -47.6748 -24.2667 -24.2667 -20.1706 -20.1698 -19.6833 -19.6806 -19.5391 -19.5373 -19.4449 -19.4434 -7.3620 -7.3618 -5.5443 -5.5442 -5.2956 -5.2950 -5.0675 -5.0668 -0.3267 -0.3253 0.4934 0.4947 3.8537 3.8549 6.7698 6.7706 10.0915 10.0921 10.7437 10.7449 11.1603 11.1612 k = 0.4504-0.3889 0.4881 ( 3306 PWs) bands (ev): -47.6748 -47.6748 -24.2669 -24.2669 -20.1724 -20.1715 -19.6829 -19.6803 -19.5388 -19.5372 -19.4438 -19.4423 -7.3641 -7.3639 -5.5369 -5.5368 -5.2981 -5.2975 -5.0681 -5.0674 -0.3191 -0.3179 0.4954 0.4965 3.8515 3.8527 6.7834 6.7841 10.0651 10.0656 10.7323 10.7335 11.1521 11.1530 k = 0.4559-0.3936 0.4771 ( 3308 PWs) bands (ev): -47.6748 -47.6748 -24.2671 -24.2671 -20.1739 -20.1730 -19.6825 -19.6801 -19.5385 -19.5372 -19.4429 -19.4414 -7.3658 -7.3656 -5.5306 -5.5305 -5.3003 -5.2997 -5.0685 -5.0678 -0.3126 -0.3116 0.4970 0.4980 3.8496 3.8507 6.7951 6.7957 10.0425 10.0429 10.7225 10.7238 11.1453 11.1461 k = 0.4613-0.3983 0.4662 ( 3312 PWs) bands (ev): -47.6749 -47.6749 -24.2673 -24.2672 -20.1751 -20.1743 -19.6823 -19.6799 -19.5383 -19.5372 -19.4422 -19.4407 -7.3672 -7.3671 -5.5254 -5.5253 -5.3021 -5.3015 -5.0689 -5.0682 -0.3073 -0.3065 0.4984 0.4992 3.8481 3.8491 6.8048 6.8052 10.0237 10.0242 10.7144 10.7157 11.1398 11.1405 k = 0.4668-0.4030 0.4553 ( 3308 PWs) bands (ev): -47.6749 -47.6749 -24.2674 -24.2674 -20.1761 -20.1752 -19.6820 -19.6797 -19.5380 -19.5372 -19.4416 -19.4401 -7.3684 -7.3682 -5.5212 -5.5212 -5.3035 -5.3029 -5.0692 -5.0685 -0.3030 -0.3024 0.4995 0.5001 3.8468 3.8478 6.8124 6.8128 10.0090 10.0094 10.7080 10.7093 11.1355 11.1362 k = 0.4723-0.4078 0.4443 ( 3307 PWs) bands (ev): -47.6749 -47.6749 -24.2675 -24.2674 -20.1768 -20.1759 -19.6818 -19.6796 -19.5378 -19.5373 -19.4411 -19.4397 -7.3692 -7.3691 -5.5183 -5.5183 -5.3045 -5.3039 -5.0694 -5.0687 -0.3000 -0.2995 0.5003 0.5008 3.8460 3.8469 6.8179 6.8181 9.9985 9.9988 10.7034 10.7047 11.1325 11.1332 k = 0.4778-0.4125 0.4334 ( 3307 PWs) bands (ev): -47.6749 -47.6749 -24.2675 -24.2675 -20.1772 -20.1763 -19.6817 -19.6795 -19.5377 -19.5373 -19.4409 -19.4394 -7.3696 -7.3696 -5.5165 -5.5165 -5.3051 -5.3045 -5.0695 -5.0688 -0.2981 -0.2979 0.5008 0.5011 3.8454 3.8463 6.8213 6.8214 9.9921 9.9925 10.7006 10.7019 11.1307 11.1314 k = 0.4832-0.4172 0.4225 ( 3304 PWs) bands (ev): -47.6749 -47.6749 -24.2675 -24.2675 -20.1773 -20.1765 -19.6817 -19.6795 -19.5375 -19.5374 -19.4408 -19.4393 -7.3698 -7.3697 -5.5159 -5.5159 -5.3052 -5.3047 -5.0696 -5.0689 -0.2974 -0.2973 0.5009 0.5012 3.8452 3.8461 6.8224 6.8224 9.9900 9.9903 10.6997 10.7010 11.1301 11.1308 k = 0.5168 0.5646 0.0147 ( 3304 PWs) bands (ev): -47.6749 -47.6749 -24.2675 -24.2675 -20.1773 -20.1765 -19.6817 -19.6795 -19.5375 -19.5374 -19.4408 -19.4393 -7.3698 -7.3697 -5.5159 -5.5159 -5.3052 -5.3047 -5.0696 -5.0689 -0.2974 -0.2973 0.5009 0.5012 3.8452 3.8461 6.8224 6.8224 9.9900 9.9903 10.6997 10.7010 11.1301 11.1308 k = 0.5084 0.5719 0.0073 ( 3302 PWs) bands (ev): -47.6749 -47.6749 -24.2674 -24.2674 -20.1779 -20.1774 -19.6810 -19.6800 -19.5375 -19.5374 -19.4398 -19.4391 -7.3717 -7.3717 -5.5162 -5.5162 -5.3062 -5.3059 -5.0673 -5.0669 -0.2967 -0.2967 0.5051 0.5053 3.8456 3.8461 6.8224 6.8224 9.9885 9.9887 10.7145 10.7152 11.1281 11.1284 k = 0.5000 0.5791-0.0000 ( 3300 PWs) bands (ev): -47.6749 -47.6749 -24.2674 -24.2674 -20.1779 -20.1779 -19.6805 -19.6805 -19.5375 -19.5375 -19.4392 -19.4392 -7.3724 -7.3724 -5.5163 -5.5163 -5.3064 -5.3064 -5.0664 -5.0664 -0.2965 -0.2965 0.5066 0.5066 3.8459 3.8459 6.8224 6.8224 9.9881 9.9881 10.7199 10.7199 11.1276 11.1276 Writing output data file NaNO2.save init_run : 1.84s CPU 11.12s WALL ( 1 calls) electrons : 341.39s CPU 366.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.38s CPU 2.00s WALL ( 1 calls) Called by electrons: c_bands : 341.30s CPU 365.58s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.88s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.16s CPU 0.61s WALL ( 1 calls) newd : 0.38s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.10s WALL ( 459 calls) cegterg : 313.00s CPU 331.49s WALL ( 721 calls) Called by sum_band: Called by *egterg: h_psi : 170.48s CPU 187.75s WALL ( 11952 calls) s_psi : 4.88s CPU 5.92s WALL ( 11952 calls) g_psi : 0.38s CPU 0.45s WALL ( 10772 calls) cdiaghg : 96.38s CPU 96.55s WALL ( 11231 calls) cegterg:over : 26.10s CPU 25.17s WALL ( 10772 calls) cegterg:upda : 3.54s CPU 7.14s WALL ( 10772 calls) cegterg:last : 3.75s CPU 5.25s WALL ( 2268 calls) Called by h_psi: h_psi:vloc : 154.72s CPU 169.90s WALL ( 11952 calls) h_psi:vnl : 15.61s CPU 17.21s WALL ( 11952 calls) add_vuspsi : 2.29s CPU 5.07s WALL ( 11952 calls) General routines calbec : 13.29s CPU 12.04s WALL ( 11952 calls) fft : 0.43s CPU 1.75s WALL ( 19 calls) ffts : 0.01s CPU 0.55s WALL ( 4 calls) fftw : 148.73s CPU 163.05s WALL ( 950024 calls) interpolate : 0.04s CPU 0.60s WALL ( 4 calls) davcio : 0.05s CPU 2.59s WALL ( 918 calls) Parallel routines fft_scatter : 97.09s CPU 107.47s WALL ( 950047 calls) PWSCF : 6m30.75s CPU 8m29.01s WALL This run was terminated on: 19:58:59 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=