Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:30: 8 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./BiF5.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 30 9 2829 807 126 Max 71 31 10 2835 829 130 Sum 2549 1115 325 101979 29449 4653 bravais-lattice index = 14 lattice parameter (alat) = 9.6590 a.u. unit-cell volume = 617.9993 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.659049 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.171137 celldm(5)= -0.171137 celldm(6)= -0.657726 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.657726 0.753258 0.000000 ) a(3) = ( -0.171137 -0.376629 0.910419 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.873175 0.549198 ) b(2) = ( 0.000000 1.327567 0.549198 ) b(3) = ( 0.000000 0.000000 1.098395 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Bi 15.00 208.98040 Bi( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 329 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0000000 0.0000000 0.0161529), wk = 0.0030395 k( 3) = ( 0.0000000 0.0000000 0.0323057), wk = 0.0030395 k( 4) = ( 0.0000000 0.0000000 0.0484586), wk = 0.0030395 k( 5) = ( 0.0000000 0.0000000 0.0646115), wk = 0.0030395 k( 6) = ( 0.0000000 0.0000000 0.0807644), wk = 0.0030395 k( 7) = ( 0.0000000 0.0000000 0.0969172), wk = 0.0030395 k( 8) = ( 0.0000000 0.0000000 0.1130701), wk = 0.0030395 k( 9) = ( 0.0000000 0.0000000 0.1292230), wk = 0.0030395 k( 10) = ( 0.0000000 0.0000000 0.1453758), wk = 0.0030395 k( 11) = ( 0.0000000 0.0000000 0.1615287), wk = 0.0030395 k( 12) = ( 0.0000000 0.0000000 0.1776816), wk = 0.0030395 k( 13) = ( 0.0000000 0.0000000 0.1938345), wk = 0.0030395 k( 14) = ( 0.0000000 0.0000000 0.2099873), wk = 0.0030395 k( 15) = ( 0.0000000 0.0000000 0.2261402), wk = 0.0030395 k( 16) = ( 0.0000000 0.0000000 0.2422931), wk = 0.0030395 k( 17) = ( 0.0000000 0.0000000 0.2584460), wk = 0.0030395 k( 18) = ( 0.0000000 0.0000000 0.2745988), wk = 0.0030395 k( 19) = ( 0.0000000 0.0000000 0.2907517), wk = 0.0030395 k( 20) = ( 0.0000000 0.0000000 0.3069046), wk = 0.0030395 k( 21) = ( 0.0000000 0.0000000 0.3230574), wk = 0.0030395 k( 22) = ( 0.0000000 0.0000000 0.3392103), wk = 0.0030395 k( 23) = ( 0.0000000 0.0000000 0.3553632), wk = 0.0030395 k( 24) = ( 0.0000000 0.0000000 0.3715160), wk = 0.0030395 k( 25) = ( 0.0000000 0.0000000 0.3876689), wk = 0.0030395 k( 26) = ( 0.0000000 0.0000000 0.4038218), wk = 0.0030395 k( 27) = ( 0.0000000 0.0000000 0.4199747), wk = 0.0030395 k( 28) = ( 0.0000000 0.0000000 0.4361275), wk = 0.0030395 k( 29) = ( 0.0000000 0.0000000 0.4522804), wk = 0.0030395 k( 30) = ( 0.0000000 0.0000000 0.4684333), wk = 0.0030395 k( 31) = ( 0.0000000 0.0000000 0.4845862), wk = 0.0030395 k( 32) = ( 0.0000000 0.0000000 0.5007390), wk = 0.0030395 k( 33) = ( 0.0000000 0.0000000 0.5168919), wk = 0.0030395 k( 34) = ( 0.0000000 0.0000000 0.5330448), wk = 0.0030395 k( 35) = ( 0.0000000 0.0000000 0.5491976), wk = 0.0030395 k( 36) = ( 0.0000000 0.0000000 0.5491976), wk = 0.0030395 k( 37) = ( -0.0147059 0.0066822 0.5491976), wk = 0.0030395 k( 38) = ( -0.0294118 0.0133645 0.5491976), wk = 0.0030395 k( 39) = ( -0.0441177 0.0200467 0.5491976), wk = 0.0030395 k( 40) = ( -0.0588235 0.0267289 0.5491976), wk = 0.0030395 k( 41) = ( -0.0735294 0.0334112 0.5491976), wk = 0.0030395 k( 42) = ( -0.0882353 0.0400934 0.5491976), wk = 0.0030395 k( 43) = ( -0.1029412 0.0467757 0.5491976), wk = 0.0030395 k( 44) = ( -0.1176471 0.0534579 0.5491976), wk = 0.0030395 k( 45) = ( -0.1323529 0.0601401 0.5491976), wk = 0.0030395 k( 46) = ( -0.1470588 0.0668224 0.5491976), wk = 0.0030395 k( 47) = ( -0.1617647 0.0735046 0.5491976), wk = 0.0030395 k( 48) = ( -0.1764706 0.0801868 0.5491976), wk = 0.0030395 k( 49) = ( -0.1911765 0.0868691 0.5491976), wk = 0.0030395 k( 50) = ( -0.2058823 0.0935513 0.5491976), wk = 0.0030395 k( 51) = ( -0.2205882 0.1002336 0.5491976), wk = 0.0030395 k( 52) = ( -0.2352941 0.1069158 0.5491976), wk = 0.0030395 k( 53) = ( -0.2500000 0.1135980 0.5491976), wk = 0.0030395 k( 54) = ( -0.2647059 0.1202803 0.5491976), wk = 0.0030395 k( 55) = ( -0.2794118 0.1269625 0.5491976), wk = 0.0030395 k( 56) = ( -0.2941177 0.1336447 0.5491976), wk = 0.0030395 k( 57) = ( -0.3088235 0.1403270 0.5491976), wk = 0.0030395 k( 58) = ( -0.3235294 0.1470092 0.5491976), wk = 0.0030395 k( 59) = ( -0.3382353 0.1536915 0.5491976), wk = 0.0030395 k( 60) = ( -0.3529412 0.1603737 0.5491976), wk = 0.0030395 k( 61) = ( -0.3676471 0.1670559 0.5491976), wk = 0.0030395 k( 62) = ( -0.3823529 0.1737382 0.5491976), wk = 0.0030395 k( 63) = ( -0.3970588 0.1804204 0.5491976), wk = 0.0030395 k( 64) = ( -0.4117647 0.1871026 0.5491976), wk = 0.0030395 k( 65) = ( -0.4264706 0.1937849 0.5491976), wk = 0.0030395 k( 66) = ( -0.4411765 0.2004671 0.5491976), wk = 0.0030395 k( 67) = ( -0.4558823 0.2071493 0.5491976), wk = 0.0030395 k( 68) = ( -0.4705882 0.2138316 0.5491976), wk = 0.0030395 k( 69) = ( -0.4852941 0.2205138 0.5491976), wk = 0.0030395 k( 70) = ( -0.5000000 0.2271961 0.5491976), wk = 0.0030395 k( 71) = ( -0.5000000 0.2271961 0.5491976), wk = 0.0030395 k( 72) = ( -0.4895833 0.2224628 0.5377560), wk = 0.0030395 k( 73) = ( -0.4791667 0.2177296 0.5263144), wk = 0.0030395 k( 74) = ( -0.4687500 0.2129963 0.5148728), wk = 0.0030395 k( 75) = ( -0.4583333 0.2082631 0.5034312), wk = 0.0030395 k( 76) = ( -0.4479167 0.2035298 0.4919896), wk = 0.0030395 k( 77) = ( -0.4375000 0.1987966 0.4805479), wk = 0.0030395 k( 78) = ( -0.4270833 0.1940633 0.4691063), wk = 0.0030395 k( 79) = ( -0.4166667 0.1893301 0.4576647), wk = 0.0030395 k( 80) = ( -0.4062500 0.1845968 0.4462231), wk = 0.0030395 k( 81) = ( -0.3958333 0.1798635 0.4347815), wk = 0.0030395 k( 82) = ( -0.3854167 0.1751303 0.4233399), wk = 0.0030395 k( 83) = ( -0.3750000 0.1703970 0.4118982), wk = 0.0030395 k( 84) = ( -0.3645833 0.1656638 0.4004566), wk = 0.0030395 k( 85) = ( -0.3541667 0.1609305 0.3890150), wk = 0.0030395 k( 86) = ( -0.3437500 0.1561973 0.3775734), wk = 0.0030395 k( 87) = ( -0.3333333 0.1514640 0.3661318), wk = 0.0030395 k( 88) = ( -0.3229167 0.1467308 0.3546901), wk = 0.0030395 k( 89) = ( -0.3125000 0.1419975 0.3432485), wk = 0.0030395 k( 90) = ( -0.3020833 0.1372643 0.3318069), wk = 0.0030395 k( 91) = ( -0.2916667 0.1325310 0.3203653), wk = 0.0030395 k( 92) = ( -0.2812500 0.1277978 0.3089237), wk = 0.0030395 k( 93) = ( -0.2708333 0.1230645 0.2974821), wk = 0.0030395 k( 94) = ( -0.2604167 0.1183313 0.2860404), wk = 0.0030395 k( 95) = ( -0.2500000 0.1135980 0.2745988), wk = 0.0030395 k( 96) = ( -0.2395833 0.1088648 0.2631572), wk = 0.0030395 k( 97) = ( -0.2291667 0.1041315 0.2517156), wk = 0.0030395 k( 98) = ( -0.2187500 0.0993983 0.2402740), wk = 0.0030395 k( 99) = ( -0.2083333 0.0946650 0.2288323), wk = 0.0030395 k( 100) = ( -0.1979167 0.0899318 0.2173907), wk = 0.0030395 k( 101) = ( -0.1875000 0.0851985 0.2059491), wk = 0.0030395 k( 102) = ( -0.1770833 0.0804653 0.1945075), wk = 0.0030395 k( 103) = ( -0.1666667 0.0757320 0.1830659), wk = 0.0030395 k( 104) = ( -0.1562500 0.0709988 0.1716243), wk = 0.0030395 k( 105) = ( -0.1458333 0.0662655 0.1601826), wk = 0.0030395 k( 106) = ( -0.1354167 0.0615323 0.1487410), wk = 0.0030395 k( 107) = ( -0.1250000 0.0567990 0.1372994), wk = 0.0030395 k( 108) = ( -0.1145833 0.0520658 0.1258578), wk = 0.0030395 k( 109) = ( -0.1041667 0.0473325 0.1144162), wk = 0.0030395 k( 110) = ( -0.0937500 0.0425993 0.1029746), wk = 0.0030395 k( 111) = ( -0.0833333 0.0378660 0.0915329), wk = 0.0030395 k( 112) = ( -0.0729167 0.0331328 0.0800913), wk = 0.0030395 k( 113) = ( -0.0625000 0.0283995 0.0686497), wk = 0.0030395 k( 114) = ( -0.0520833 0.0236663 0.0572081), wk = 0.0030395 k( 115) = ( -0.0416667 0.0189330 0.0457665), wk = 0.0030395 k( 116) = ( -0.0312500 0.0141998 0.0343249), wk = 0.0030395 k( 117) = ( -0.0208333 0.0094665 0.0228832), wk = 0.0030395 k( 118) = ( -0.0104167 0.0047333 0.0114416), wk = 0.0030395 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 121) = ( 0.0066648 0.0146676 -0.0000000), wk = 0.0030395 k( 122) = ( 0.0133297 0.0293351 -0.0000000), wk = 0.0030395 k( 123) = ( 0.0199945 0.0440027 -0.0000000), wk = 0.0030395 k( 124) = ( 0.0266593 0.0586703 -0.0000000), wk = 0.0030395 k( 125) = ( 0.0333242 0.0733379 -0.0000000), wk = 0.0030395 k( 126) = ( 0.0399890 0.0880055 -0.0000000), wk = 0.0030395 k( 127) = ( 0.0466538 0.1026730 -0.0000000), wk = 0.0030395 k( 128) = ( 0.0533187 0.1173406 -0.0000000), wk = 0.0030395 k( 129) = ( 0.0599835 0.1320082 -0.0000000), wk = 0.0030395 k( 130) = ( 0.0666483 0.1466758 -0.0000000), wk = 0.0030395 k( 131) = ( 0.0733131 0.1613434 -0.0000000), wk = 0.0030395 k( 132) = ( 0.0799780 0.1760110 -0.0000000), wk = 0.0030395 k( 133) = ( 0.0866428 0.1906785 -0.0000000), wk = 0.0030395 k( 134) = ( 0.0933077 0.2053461 -0.0000000), wk = 0.0030395 k( 135) = ( 0.0999725 0.2200137 -0.0000000), wk = 0.0030395 k( 136) = ( 0.1066373 0.2346812 -0.0000000), wk = 0.0030395 k( 137) = ( 0.1133022 0.2493488 -0.0000000), wk = 0.0030395 k( 138) = ( 0.1199670 0.2640164 -0.0000000), wk = 0.0030395 k( 139) = ( 0.1266318 0.2786840 -0.0000000), wk = 0.0030395 k( 140) = ( 0.1332966 0.2933516 -0.0000000), wk = 0.0030395 k( 141) = ( 0.1399615 0.3080191 -0.0000000), wk = 0.0030395 k( 142) = ( 0.1466263 0.3226867 -0.0000000), wk = 0.0030395 k( 143) = ( 0.1532911 0.3373543 -0.0000000), wk = 0.0030395 k( 144) = ( 0.1599560 0.3520219 -0.0000000), wk = 0.0030395 k( 145) = ( 0.1666208 0.3666895 -0.0000000), wk = 0.0030395 k( 146) = ( 0.1732856 0.3813570 -0.0000000), wk = 0.0030395 k( 147) = ( 0.1799505 0.3960246 -0.0000000), wk = 0.0030395 k( 148) = ( 0.1866153 0.4106922 -0.0000000), wk = 0.0030395 k( 149) = ( 0.1932801 0.4253598 -0.0000000), wk = 0.0030395 k( 150) = ( 0.1999450 0.4400273 -0.0000000), wk = 0.0030395 k( 151) = ( 0.2066098 0.4546949 -0.0000000), wk = 0.0030395 k( 152) = ( 0.2132746 0.4693625 -0.0000000), wk = 0.0030395 k( 153) = ( 0.2199395 0.4840301 -0.0000000), wk = 0.0030395 k( 154) = ( 0.2266043 0.4986977 -0.0000000), wk = 0.0030395 k( 155) = ( 0.2332691 0.5133652 -0.0000000), wk = 0.0030395 k( 156) = ( 0.2399340 0.5280328 -0.0000000), wk = 0.0030395 k( 157) = ( 0.2465988 0.5427004 -0.0000000), wk = 0.0030395 k( 158) = ( 0.2532636 0.5573680 -0.0000000), wk = 0.0030395 k( 159) = ( 0.2599284 0.5720356 -0.0000000), wk = 0.0030395 k( 160) = ( 0.2665933 0.5867031 -0.0000000), wk = 0.0030395 k( 161) = ( 0.2732581 0.6013707 -0.0000000), wk = 0.0030395 k( 162) = ( 0.2799230 0.6160383 -0.0000000), wk = 0.0030395 k( 163) = ( 0.2865878 0.6307059 -0.0000000), wk = 0.0030395 k( 164) = ( 0.2932526 0.6453734 -0.0000000), wk = 0.0030395 k( 165) = ( 0.2999174 0.6600410 -0.0000000), wk = 0.0030395 k( 166) = ( 0.3065823 0.6747086 -0.0000000), wk = 0.0030395 k( 167) = ( 0.3132471 0.6893762 -0.0000000), wk = 0.0030395 k( 168) = ( 0.3199119 0.7040438 -0.0000000), wk = 0.0030395 k( 169) = ( 0.3265768 0.7187113 -0.0000000), wk = 0.0030395 k( 170) = ( 0.3332416 0.7333789 -0.0000000), wk = 0.0030395 k( 171) = ( 0.3399064 0.7480465 -0.0000000), wk = 0.0030395 k( 172) = ( 0.3465713 0.7627141 -0.0000000), wk = 0.0030395 k( 173) = ( 0.3532361 0.7773816 -0.0000000), wk = 0.0030395 k( 174) = ( 0.3532361 0.7773816 -0.0000000), wk = 0.0030395 k( 175) = ( 0.3505194 0.7714028 0.0144526), wk = 0.0030395 k( 176) = ( 0.3478026 0.7654240 0.0289051), wk = 0.0030395 k( 177) = ( 0.3450859 0.7594451 0.0433577), wk = 0.0030395 k( 178) = ( 0.3423691 0.7534663 0.0578103), wk = 0.0030395 k( 179) = ( 0.3396524 0.7474874 0.0722628), wk = 0.0030395 k( 180) = ( 0.3369357 0.7415086 0.0867154), wk = 0.0030395 k( 181) = ( 0.3342189 0.7355298 0.1011680), wk = 0.0030395 k( 182) = ( 0.3315022 0.7295509 0.1156206), wk = 0.0030395 k( 183) = ( 0.3287854 0.7235721 0.1300731), wk = 0.0030395 k( 184) = ( 0.3260687 0.7175932 0.1445257), wk = 0.0030395 k( 185) = ( 0.3233520 0.7116144 0.1589783), wk = 0.0030395 k( 186) = ( 0.3206352 0.7056355 0.1734308), wk = 0.0030395 k( 187) = ( 0.3179185 0.6996567 0.1878834), wk = 0.0030395 k( 188) = ( 0.3152018 0.6936778 0.2023360), wk = 0.0030395 k( 189) = ( 0.3124850 0.6876990 0.2167885), wk = 0.0030395 k( 190) = ( 0.3097683 0.6817202 0.2312411), wk = 0.0030395 k( 191) = ( 0.3070515 0.6757413 0.2456937), wk = 0.0030395 k( 192) = ( 0.3043348 0.6697625 0.2601462), wk = 0.0030395 k( 193) = ( 0.3016181 0.6637836 0.2745988), wk = 0.0030395 k( 194) = ( 0.2989013 0.6578048 0.2890514), wk = 0.0030395 k( 195) = ( 0.2961846 0.6518259 0.3035040), wk = 0.0030395 k( 196) = ( 0.2934678 0.6458471 0.3179565), wk = 0.0030395 k( 197) = ( 0.2907511 0.6398682 0.3324091), wk = 0.0030395 k( 198) = ( 0.2880343 0.6338894 0.3468617), wk = 0.0030395 k( 199) = ( 0.2853176 0.6279106 0.3613142), wk = 0.0030395 k( 200) = ( 0.2826009 0.6219317 0.3757668), wk = 0.0030395 k( 201) = ( 0.2798841 0.6159529 0.3902194), wk = 0.0030395 k( 202) = ( 0.2771674 0.6099740 0.4046720), wk = 0.0030395 k( 203) = ( 0.2744507 0.6039952 0.4191245), wk = 0.0030395 k( 204) = ( 0.2717339 0.5980163 0.4335771), wk = 0.0030395 k( 205) = ( 0.2690172 0.5920375 0.4480297), wk = 0.0030395 k( 206) = ( 0.2663004 0.5860587 0.4624822), wk = 0.0030395 k( 207) = ( 0.2635837 0.5800798 0.4769348), wk = 0.0030395 k( 208) = ( 0.2608670 0.5741010 0.4913874), wk = 0.0030395 k( 209) = ( 0.2581502 0.5681221 0.5058399), wk = 0.0030395 k( 210) = ( 0.2554335 0.5621433 0.5202925), wk = 0.0030395 k( 211) = ( 0.2527167 0.5561644 0.5347451), wk = 0.0030395 k( 212) = ( 0.2500000 0.5501856 0.5491976), wk = 0.0030395 k( 213) = ( 0.2500000 0.5501856 0.5491976), wk = 0.0030395 k( 214) = ( 0.2395833 0.5549188 0.5377560), wk = 0.0030395 k( 215) = ( 0.2291667 0.5596521 0.5263144), wk = 0.0030395 k( 216) = ( 0.2187500 0.5643853 0.5148728), wk = 0.0030395 k( 217) = ( 0.2083333 0.5691186 0.5034312), wk = 0.0030395 k( 218) = ( 0.1979167 0.5738518 0.4919896), wk = 0.0030395 k( 219) = ( 0.1875000 0.5785851 0.4805479), wk = 0.0030395 k( 220) = ( 0.1770833 0.5833184 0.4691063), wk = 0.0030395 k( 221) = ( 0.1666667 0.5880516 0.4576647), wk = 0.0030395 k( 222) = ( 0.1562500 0.5927849 0.4462231), wk = 0.0030395 k( 223) = ( 0.1458333 0.5975181 0.4347815), wk = 0.0030395 k( 224) = ( 0.1354167 0.6022514 0.4233399), wk = 0.0030395 k( 225) = ( 0.1250000 0.6069846 0.4118982), wk = 0.0030395 k( 226) = ( 0.1145833 0.6117179 0.4004566), wk = 0.0030395 k( 227) = ( 0.1041667 0.6164511 0.3890150), wk = 0.0030395 k( 228) = ( 0.0937500 0.6211844 0.3775734), wk = 0.0030395 k( 229) = ( 0.0833333 0.6259176 0.3661318), wk = 0.0030395 k( 230) = ( 0.0729167 0.6306509 0.3546901), wk = 0.0030395 k( 231) = ( 0.0625000 0.6353841 0.3432485), wk = 0.0030395 k( 232) = ( 0.0520833 0.6401174 0.3318069), wk = 0.0030395 k( 233) = ( 0.0416667 0.6448506 0.3203653), wk = 0.0030395 k( 234) = ( 0.0312500 0.6495839 0.3089237), wk = 0.0030395 k( 235) = ( 0.0208333 0.6543171 0.2974821), wk = 0.0030395 k( 236) = ( 0.0104167 0.6590504 0.2860404), wk = 0.0030395 k( 237) = ( 0.0000000 0.6637836 0.2745988), wk = 0.0030395 k( 238) = ( 0.0000000 0.6637836 0.2745988), wk = 0.0030395 k( 239) = ( -0.0121806 0.6598664 0.2840677), wk = 0.0030395 k( 240) = ( -0.0243611 0.6559493 0.2935367), wk = 0.0030395 k( 241) = ( -0.0365417 0.6520321 0.3030056), wk = 0.0030395 k( 242) = ( -0.0487222 0.6481149 0.3124745), wk = 0.0030395 k( 243) = ( -0.0609028 0.6441978 0.3219434), wk = 0.0030395 k( 244) = ( -0.0730833 0.6402806 0.3314124), wk = 0.0030395 k( 245) = ( -0.0852639 0.6363634 0.3408813), wk = 0.0030395 k( 246) = ( -0.0974444 0.6324462 0.3503502), wk = 0.0030395 k( 247) = ( -0.1096250 0.6285291 0.3598191), wk = 0.0030395 k( 248) = ( -0.1218055 0.6246119 0.3692881), wk = 0.0030395 k( 249) = ( -0.1339861 0.6206947 0.3787570), wk = 0.0030395 k( 250) = ( -0.1461667 0.6167775 0.3882259), wk = 0.0030395 k( 251) = ( -0.1583472 0.6128604 0.3976948), wk = 0.0030395 k( 252) = ( -0.1705278 0.6089432 0.4071638), wk = 0.0030395 k( 253) = ( -0.1827083 0.6050260 0.4166327), wk = 0.0030395 k( 254) = ( -0.1948889 0.6011089 0.4261016), wk = 0.0030395 k( 255) = ( -0.2070694 0.5971917 0.4355705), wk = 0.0030395 k( 256) = ( -0.2192500 0.5932745 0.4450395), wk = 0.0030395 k( 257) = ( -0.2314306 0.5893573 0.4545084), wk = 0.0030395 k( 258) = ( -0.2436111 0.5854402 0.4639773), wk = 0.0030395 k( 259) = ( -0.2557917 0.5815230 0.4734462), wk = 0.0030395 k( 260) = ( -0.2679722 0.5776058 0.4829152), wk = 0.0030395 k( 261) = ( -0.2801528 0.5736886 0.4923841), wk = 0.0030395 k( 262) = ( -0.2923333 0.5697715 0.5018530), wk = 0.0030395 k( 263) = ( -0.3045139 0.5658543 0.5113219), wk = 0.0030395 k( 264) = ( -0.3166944 0.5619371 0.5207909), wk = 0.0030395 k( 265) = ( -0.3288750 0.5580199 0.5302598), wk = 0.0030395 k( 266) = ( -0.3410555 0.5541028 0.5397287), wk = 0.0030395 k( 267) = ( -0.3532361 0.5501856 0.5491976), wk = 0.0030395 k( 268) = ( -0.3532361 0.5501856 0.5491976), wk = 0.0030395 k( 269) = ( -0.3599072 0.5355042 0.5491976), wk = 0.0030395 k( 270) = ( -0.3665783 0.5208229 0.5491976), wk = 0.0030395 k( 271) = ( -0.3732494 0.5061416 0.5491976), wk = 0.0030395 k( 272) = ( -0.3799205 0.4914602 0.5491976), wk = 0.0030395 k( 273) = ( -0.3865915 0.4767789 0.5491976), wk = 0.0030395 k( 274) = ( -0.3932626 0.4620975 0.5491976), wk = 0.0030395 k( 275) = ( -0.3999337 0.4474162 0.5491976), wk = 0.0030395 k( 276) = ( -0.4066048 0.4327349 0.5491976), wk = 0.0030395 k( 277) = ( -0.4132759 0.4180535 0.5491976), wk = 0.0030395 k( 278) = ( -0.4199470 0.4033722 0.5491976), wk = 0.0030395 k( 279) = ( -0.4266181 0.3886908 0.5491976), wk = 0.0030395 k( 280) = ( -0.4332891 0.3740095 0.5491976), wk = 0.0030395 k( 281) = ( -0.4399602 0.3593282 0.5491976), wk = 0.0030395 k( 282) = ( -0.4466313 0.3446468 0.5491976), wk = 0.0030395 k( 283) = ( -0.4533024 0.3299654 0.5491976), wk = 0.0030395 k( 284) = ( -0.4599735 0.3152841 0.5491976), wk = 0.0030395 k( 285) = ( -0.4666446 0.3006028 0.5491976), wk = 0.0030395 k( 286) = ( -0.4733156 0.2859214 0.5491976), wk = 0.0030395 k( 287) = ( -0.4799867 0.2712401 0.5491976), wk = 0.0030395 k( 288) = ( -0.4866578 0.2565587 0.5491976), wk = 0.0030395 k( 289) = ( -0.4933289 0.2418774 0.5491976), wk = 0.0030395 k( 290) = ( -0.5000000 0.2271961 0.5491976), wk = 0.0030395 k( 291) = ( 0.0000000 0.0000000 0.5491976), wk = 0.0030395 k( 292) = ( 0.0065790 0.0144786 0.5491976), wk = 0.0030395 k( 293) = ( 0.0131579 0.0289571 0.5491976), wk = 0.0030395 k( 294) = ( 0.0197368 0.0434357 0.5491976), wk = 0.0030395 k( 295) = ( 0.0263158 0.0579143 0.5491976), wk = 0.0030395 k( 296) = ( 0.0328947 0.0723928 0.5491976), wk = 0.0030395 k( 297) = ( 0.0394737 0.0868714 0.5491976), wk = 0.0030395 k( 298) = ( 0.0460526 0.1013500 0.5491976), wk = 0.0030395 k( 299) = ( 0.0526316 0.1158285 0.5491976), wk = 0.0030395 k( 300) = ( 0.0592105 0.1303071 0.5491976), wk = 0.0030395 k( 301) = ( 0.0657895 0.1447857 0.5491976), wk = 0.0030395 k( 302) = ( 0.0723684 0.1592642 0.5491976), wk = 0.0030395 k( 303) = ( 0.0789474 0.1737428 0.5491976), wk = 0.0030395 k( 304) = ( 0.0855263 0.1882214 0.5491976), wk = 0.0030395 k( 305) = ( 0.0921053 0.2026999 0.5491976), wk = 0.0030395 k( 306) = ( 0.0986842 0.2171785 0.5491976), wk = 0.0030395 k( 307) = ( 0.1052632 0.2316571 0.5491976), wk = 0.0030395 k( 308) = ( 0.1118421 0.2461357 0.5491976), wk = 0.0030395 k( 309) = ( 0.1184210 0.2606142 0.5491976), wk = 0.0030395 k( 310) = ( 0.1250000 0.2750928 0.5491976), wk = 0.0030395 k( 311) = ( 0.1315790 0.2895714 0.5491976), wk = 0.0030395 k( 312) = ( 0.1381579 0.3040499 0.5491976), wk = 0.0030395 k( 313) = ( 0.1447368 0.3185285 0.5491976), wk = 0.0030395 k( 314) = ( 0.1513158 0.3330071 0.5491976), wk = 0.0030395 k( 315) = ( 0.1578947 0.3474856 0.5491976), wk = 0.0030395 k( 316) = ( 0.1644737 0.3619642 0.5491976), wk = 0.0030395 k( 317) = ( 0.1710526 0.3764428 0.5491976), wk = 0.0030395 k( 318) = ( 0.1776316 0.3909213 0.5491976), wk = 0.0030395 k( 319) = ( 0.1842105 0.4053999 0.5491976), wk = 0.0030395 k( 320) = ( 0.1907895 0.4198785 0.5491976), wk = 0.0030395 k( 321) = ( 0.1973684 0.4343570 0.5491976), wk = 0.0030395 k( 322) = ( 0.2039474 0.4488356 0.5491976), wk = 0.0030395 k( 323) = ( 0.2105263 0.4633142 0.5491976), wk = 0.0030395 k( 324) = ( 0.2171053 0.4777927 0.5491976), wk = 0.0030395 k( 325) = ( 0.2236842 0.4922713 0.5491976), wk = 0.0030395 k( 326) = ( 0.2302632 0.5067499 0.5491976), wk = 0.0030395 k( 327) = ( 0.2368421 0.5212285 0.5491976), wk = 0.0030395 k( 328) = ( 0.2434210 0.5357070 0.5491976), wk = 0.0030395 k( 329) = ( 0.2500000 0.5501856 0.5491976), wk = 0.0030395 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0030395 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0030395 k( 4) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0030395 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0030395 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0030395 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0030395 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0030395 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0030395 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0030395 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0030395 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0030395 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0030395 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0030395 k( 15) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0030395 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0030395 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0030395 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030395 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0030395 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0030395 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0030395 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0030395 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0030395 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0030395 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0030395 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0030395 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0030395 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0030395 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0030395 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0030395 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0030395 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0030395 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0030395 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0030395 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 37) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0030395 k( 38) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0030395 k( 39) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0030395 k( 40) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0030395 k( 41) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0030395 k( 42) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0030395 k( 43) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0030395 k( 44) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0030395 k( 45) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0030395 k( 46) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0030395 k( 47) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0030395 k( 48) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0030395 k( 49) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0030395 k( 50) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0030395 k( 51) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0030395 k( 52) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0030395 k( 53) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0030395 k( 54) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0030395 k( 55) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0030395 k( 56) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0030395 k( 57) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0030395 k( 58) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0030395 k( 59) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0030395 k( 60) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0030395 k( 61) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0030395 k( 62) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0030395 k( 63) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0030395 k( 64) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0030395 k( 65) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0030395 k( 66) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0030395 k( 67) = ( -0.4558823 0.4558824 0.5000000), wk = 0.0030395 k( 68) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0030395 k( 69) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0030395 k( 70) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 71) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 72) = ( -0.4895833 0.4895833 0.4895833), wk = 0.0030395 k( 73) = ( -0.4791667 0.4791667 0.4791667), wk = 0.0030395 k( 74) = ( -0.4687500 0.4687500 0.4687500), wk = 0.0030395 k( 75) = ( -0.4583333 0.4583333 0.4583333), wk = 0.0030395 k( 76) = ( -0.4479167 0.4479167 0.4479167), wk = 0.0030395 k( 77) = ( -0.4375000 0.4375000 0.4375000), wk = 0.0030395 k( 78) = ( -0.4270833 0.4270833 0.4270833), wk = 0.0030395 k( 79) = ( -0.4166667 0.4166667 0.4166667), wk = 0.0030395 k( 80) = ( -0.4062500 0.4062500 0.4062500), wk = 0.0030395 k( 81) = ( -0.3958333 0.3958333 0.3958333), wk = 0.0030395 k( 82) = ( -0.3854167 0.3854167 0.3854167), wk = 0.0030395 k( 83) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0030395 k( 84) = ( -0.3645833 0.3645833 0.3645833), wk = 0.0030395 k( 85) = ( -0.3541667 0.3541667 0.3541667), wk = 0.0030395 k( 86) = ( -0.3437500 0.3437500 0.3437500), wk = 0.0030395 k( 87) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0030395 k( 88) = ( -0.3229167 0.3229167 0.3229167), wk = 0.0030395 k( 89) = ( -0.3125000 0.3125000 0.3125000), wk = 0.0030395 k( 90) = ( -0.3020833 0.3020833 0.3020833), wk = 0.0030395 k( 91) = ( -0.2916667 0.2916667 0.2916667), wk = 0.0030395 k( 92) = ( -0.2812500 0.2812500 0.2812500), wk = 0.0030395 k( 93) = ( -0.2708333 0.2708333 0.2708333), wk = 0.0030395 k( 94) = ( -0.2604167 0.2604167 0.2604167), wk = 0.0030395 k( 95) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0030395 k( 96) = ( -0.2395833 0.2395833 0.2395833), wk = 0.0030395 k( 97) = ( -0.2291667 0.2291667 0.2291667), wk = 0.0030395 k( 98) = ( -0.2187500 0.2187500 0.2187500), wk = 0.0030395 k( 99) = ( -0.2083333 0.2083333 0.2083333), wk = 0.0030395 k( 100) = ( -0.1979167 0.1979167 0.1979167), wk = 0.0030395 k( 101) = ( -0.1875000 0.1875000 0.1875000), wk = 0.0030395 k( 102) = ( -0.1770833 0.1770833 0.1770833), wk = 0.0030395 k( 103) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0030395 k( 104) = ( -0.1562500 0.1562500 0.1562500), wk = 0.0030395 k( 105) = ( -0.1458333 0.1458333 0.1458333), wk = 0.0030395 k( 106) = ( -0.1354167 0.1354167 0.1354167), wk = 0.0030395 k( 107) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0030395 k( 108) = ( -0.1145833 0.1145833 0.1145833), wk = 0.0030395 k( 109) = ( -0.1041667 0.1041667 0.1041667), wk = 0.0030395 k( 110) = ( -0.0937500 0.0937500 0.0937500), wk = 0.0030395 k( 111) = ( -0.0833333 0.0833333 0.0833333), wk = 0.0030395 k( 112) = ( -0.0729167 0.0729167 0.0729167), wk = 0.0030395 k( 113) = ( -0.0625000 0.0625000 0.0625000), wk = 0.0030395 k( 114) = ( -0.0520833 0.0520833 0.0520833), wk = 0.0030395 k( 115) = ( -0.0416667 0.0416667 0.0416667), wk = 0.0030395 k( 116) = ( -0.0312500 0.0312500 0.0312500), wk = 0.0030395 k( 117) = ( -0.0208333 0.0208333 0.0208333), wk = 0.0030395 k( 118) = ( -0.0104167 0.0104167 0.0104167), wk = 0.0030395 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 121) = ( 0.0066648 0.0066648 -0.0066648), wk = 0.0030395 k( 122) = ( 0.0133297 0.0133297 -0.0133297), wk = 0.0030395 k( 123) = ( 0.0199945 0.0199945 -0.0199945), wk = 0.0030395 k( 124) = ( 0.0266593 0.0266593 -0.0266593), wk = 0.0030395 k( 125) = ( 0.0333242 0.0333242 -0.0333242), wk = 0.0030395 k( 126) = ( 0.0399890 0.0399890 -0.0399890), wk = 0.0030395 k( 127) = ( 0.0466538 0.0466538 -0.0466538), wk = 0.0030395 k( 128) = ( 0.0533187 0.0533187 -0.0533187), wk = 0.0030395 k( 129) = ( 0.0599835 0.0599835 -0.0599835), wk = 0.0030395 k( 130) = ( 0.0666483 0.0666483 -0.0666483), wk = 0.0030395 k( 131) = ( 0.0733131 0.0733131 -0.0733131), wk = 0.0030395 k( 132) = ( 0.0799780 0.0799780 -0.0799780), wk = 0.0030395 k( 133) = ( 0.0866428 0.0866428 -0.0866428), wk = 0.0030395 k( 134) = ( 0.0933077 0.0933076 -0.0933076), wk = 0.0030395 k( 135) = ( 0.0999725 0.0999725 -0.0999725), wk = 0.0030395 k( 136) = ( 0.1066373 0.1066373 -0.1066373), wk = 0.0030395 k( 137) = ( 0.1133022 0.1133021 -0.1133021), wk = 0.0030395 k( 138) = ( 0.1199670 0.1199670 -0.1199670), wk = 0.0030395 k( 139) = ( 0.1266318 0.1266318 -0.1266318), wk = 0.0030395 k( 140) = ( 0.1332966 0.1332966 -0.1332966), wk = 0.0030395 k( 141) = ( 0.1399615 0.1399615 -0.1399615), wk = 0.0030395 k( 142) = ( 0.1466263 0.1466263 -0.1466263), wk = 0.0030395 k( 143) = ( 0.1532911 0.1532911 -0.1532911), wk = 0.0030395 k( 144) = ( 0.1599560 0.1599560 -0.1599560), wk = 0.0030395 k( 145) = ( 0.1666208 0.1666208 -0.1666208), wk = 0.0030395 k( 146) = ( 0.1732856 0.1732856 -0.1732856), wk = 0.0030395 k( 147) = ( 0.1799505 0.1799505 -0.1799505), wk = 0.0030395 k( 148) = ( 0.1866153 0.1866153 -0.1866153), wk = 0.0030395 k( 149) = ( 0.1932801 0.1932801 -0.1932801), wk = 0.0030395 k( 150) = ( 0.1999450 0.1999450 -0.1999450), wk = 0.0030395 k( 151) = ( 0.2066098 0.2066098 -0.2066098), wk = 0.0030395 k( 152) = ( 0.2132746 0.2132746 -0.2132746), wk = 0.0030395 k( 153) = ( 0.2199395 0.2199395 -0.2199395), wk = 0.0030395 k( 154) = ( 0.2266043 0.2266043 -0.2266043), wk = 0.0030395 k( 155) = ( 0.2332691 0.2332691 -0.2332691), wk = 0.0030395 k( 156) = ( 0.2399340 0.2399340 -0.2399340), wk = 0.0030395 k( 157) = ( 0.2465988 0.2465988 -0.2465988), wk = 0.0030395 k( 158) = ( 0.2532636 0.2532636 -0.2532636), wk = 0.0030395 k( 159) = ( 0.2599284 0.2599284 -0.2599284), wk = 0.0030395 k( 160) = ( 0.2665933 0.2665933 -0.2665933), wk = 0.0030395 k( 161) = ( 0.2732581 0.2732581 -0.2732581), wk = 0.0030395 k( 162) = ( 0.2799230 0.2799230 -0.2799230), wk = 0.0030395 k( 163) = ( 0.2865878 0.2865878 -0.2865878), wk = 0.0030395 k( 164) = ( 0.2932526 0.2932526 -0.2932526), wk = 0.0030395 k( 165) = ( 0.2999174 0.2999174 -0.2999174), wk = 0.0030395 k( 166) = ( 0.3065823 0.3065823 -0.3065823), wk = 0.0030395 k( 167) = ( 0.3132471 0.3132471 -0.3132471), wk = 0.0030395 k( 168) = ( 0.3199119 0.3199119 -0.3199119), wk = 0.0030395 k( 169) = ( 0.3265768 0.3265768 -0.3265768), wk = 0.0030395 k( 170) = ( 0.3332416 0.3332416 -0.3332416), wk = 0.0030395 k( 171) = ( 0.3399064 0.3399064 -0.3399064), wk = 0.0030395 k( 172) = ( 0.3465713 0.3465713 -0.3465713), wk = 0.0030395 k( 173) = ( 0.3532361 0.3532361 -0.3532361), wk = 0.0030395 k( 174) = ( 0.3532361 0.3532361 -0.3532361), wk = 0.0030395 k( 175) = ( 0.3505194 0.3505194 -0.3373615), wk = 0.0030395 k( 176) = ( 0.3478026 0.3478026 -0.3214868), wk = 0.0030395 k( 177) = ( 0.3450859 0.3450859 -0.3056122), wk = 0.0030395 k( 178) = ( 0.3423691 0.3423691 -0.2897376), wk = 0.0030395 k( 179) = ( 0.3396524 0.3396524 -0.2738629), wk = 0.0030395 k( 180) = ( 0.3369357 0.3369357 -0.2579883), wk = 0.0030395 k( 181) = ( 0.3342189 0.3342189 -0.2421137), wk = 0.0030395 k( 182) = ( 0.3315022 0.3315022 -0.2262390), wk = 0.0030395 k( 183) = ( 0.3287854 0.3287854 -0.2103644), wk = 0.0030395 k( 184) = ( 0.3260687 0.3260687 -0.1944898), wk = 0.0030395 k( 185) = ( 0.3233520 0.3233520 -0.1786151), wk = 0.0030395 k( 186) = ( 0.3206352 0.3206352 -0.1627405), wk = 0.0030395 k( 187) = ( 0.3179185 0.3179185 -0.1468659), wk = 0.0030395 k( 188) = ( 0.3152018 0.3152018 -0.1309912), wk = 0.0030395 k( 189) = ( 0.3124850 0.3124850 -0.1151166), wk = 0.0030395 k( 190) = ( 0.3097683 0.3097683 -0.0992419), wk = 0.0030395 k( 191) = ( 0.3070515 0.3070515 -0.0833673), wk = 0.0030395 k( 192) = ( 0.3043348 0.3043348 -0.0674927), wk = 0.0030395 k( 193) = ( 0.3016181 0.3016181 -0.0516181), wk = 0.0030395 k( 194) = ( 0.2989013 0.2989013 -0.0357434), wk = 0.0030395 k( 195) = ( 0.2961846 0.2961846 -0.0198688), wk = 0.0030395 k( 196) = ( 0.2934678 0.2934678 -0.0039941), wk = 0.0030395 k( 197) = ( 0.2907511 0.2907511 0.0118805), wk = 0.0030395 k( 198) = ( 0.2880343 0.2880343 0.0277551), wk = 0.0030395 k( 199) = ( 0.2853176 0.2853176 0.0436298), wk = 0.0030395 k( 200) = ( 0.2826009 0.2826009 0.0595044), wk = 0.0030395 k( 201) = ( 0.2798841 0.2798841 0.0753790), wk = 0.0030395 k( 202) = ( 0.2771674 0.2771674 0.0912537), wk = 0.0030395 k( 203) = ( 0.2744507 0.2744507 0.1071283), wk = 0.0030395 k( 204) = ( 0.2717339 0.2717339 0.1230029), wk = 0.0030395 k( 205) = ( 0.2690172 0.2690172 0.1388776), wk = 0.0030395 k( 206) = ( 0.2663004 0.2663004 0.1547522), wk = 0.0030395 k( 207) = ( 0.2635837 0.2635837 0.1706268), wk = 0.0030395 k( 208) = ( 0.2608670 0.2608670 0.1865015), wk = 0.0030395 k( 209) = ( 0.2581502 0.2581502 0.2023761), wk = 0.0030395 k( 210) = ( 0.2554335 0.2554335 0.2182507), wk = 0.0030395 k( 211) = ( 0.2527167 0.2527167 0.2341254), wk = 0.0030395 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030395 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030395 k( 214) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0030395 k( 215) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030395 k( 216) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0030395 k( 217) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030395 k( 218) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0030395 k( 219) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030395 k( 220) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0030395 k( 221) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030395 k( 222) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0030395 k( 223) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030395 k( 224) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0030395 k( 225) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030395 k( 226) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0030395 k( 227) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030395 k( 228) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0030395 k( 229) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030395 k( 230) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0030395 k( 231) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030395 k( 232) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0030395 k( 233) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030395 k( 234) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0030395 k( 235) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030395 k( 236) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0030395 k( 237) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030395 k( 238) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030395 k( 239) = ( -0.0121806 0.5050608 0.0121806), wk = 0.0030395 k( 240) = ( -0.0243611 0.5101216 0.0243611), wk = 0.0030395 k( 241) = ( -0.0365417 0.5151825 0.0365417), wk = 0.0030395 k( 242) = ( -0.0487222 0.5202433 0.0487222), wk = 0.0030395 k( 243) = ( -0.0609028 0.5253041 0.0609028), wk = 0.0030395 k( 244) = ( -0.0730833 0.5303649 0.0730833), wk = 0.0030395 k( 245) = ( -0.0852639 0.5354258 0.0852639), wk = 0.0030395 k( 246) = ( -0.0974444 0.5404866 0.0974444), wk = 0.0030395 k( 247) = ( -0.1096250 0.5455474 0.1096250), wk = 0.0030395 k( 248) = ( -0.1218055 0.5506082 0.1218056), wk = 0.0030395 k( 249) = ( -0.1339861 0.5556691 0.1339861), wk = 0.0030395 k( 250) = ( -0.1461667 0.5607299 0.1461667), wk = 0.0030395 k( 251) = ( -0.1583472 0.5657907 0.1583472), wk = 0.0030395 k( 252) = ( -0.1705278 0.5708515 0.1705278), wk = 0.0030395 k( 253) = ( -0.1827083 0.5759124 0.1827083), wk = 0.0030395 k( 254) = ( -0.1948889 0.5809732 0.1948889), wk = 0.0030395 k( 255) = ( -0.2070694 0.5860340 0.2070694), wk = 0.0030395 k( 256) = ( -0.2192500 0.5910948 0.2192500), wk = 0.0030395 k( 257) = ( -0.2314306 0.5961557 0.2314306), wk = 0.0030395 k( 258) = ( -0.2436111 0.6012165 0.2436111), wk = 0.0030395 k( 259) = ( -0.2557917 0.6062773 0.2557917), wk = 0.0030395 k( 260) = ( -0.2679722 0.6113381 0.2679722), wk = 0.0030395 k( 261) = ( -0.2801528 0.6163990 0.2801528), wk = 0.0030395 k( 262) = ( -0.2923333 0.6214598 0.2923333), wk = 0.0030395 k( 263) = ( -0.3045139 0.6265206 0.3045139), wk = 0.0030395 k( 264) = ( -0.3166944 0.6315814 0.3166944), wk = 0.0030395 k( 265) = ( -0.3288750 0.6366422 0.3288750), wk = 0.0030395 k( 266) = ( -0.3410555 0.6417031 0.3410556), wk = 0.0030395 k( 267) = ( -0.3532361 0.6467639 0.3532361), wk = 0.0030395 k( 268) = ( -0.3532361 0.6467639 0.3532361), wk = 0.0030395 k( 269) = ( -0.3599072 0.6400928 0.3599072), wk = 0.0030395 k( 270) = ( -0.3665783 0.6334217 0.3665783), wk = 0.0030395 k( 271) = ( -0.3732494 0.6267506 0.3732494), wk = 0.0030395 k( 272) = ( -0.3799205 0.6200795 0.3799205), wk = 0.0030395 k( 273) = ( -0.3865915 0.6134085 0.3865915), wk = 0.0030395 k( 274) = ( -0.3932626 0.6067374 0.3932626), wk = 0.0030395 k( 275) = ( -0.3999337 0.6000663 0.3999337), wk = 0.0030395 k( 276) = ( -0.4066048 0.5933952 0.4066048), wk = 0.0030395 k( 277) = ( -0.4132759 0.5867241 0.4132759), wk = 0.0030395 k( 278) = ( -0.4199470 0.5800530 0.4199470), wk = 0.0030395 k( 279) = ( -0.4266181 0.5733820 0.4266181), wk = 0.0030395 k( 280) = ( -0.4332891 0.5667109 0.4332891), wk = 0.0030395 k( 281) = ( -0.4399602 0.5600398 0.4399602), wk = 0.0030395 k( 282) = ( -0.4466313 0.5533687 0.4466313), wk = 0.0030395 k( 283) = ( -0.4533024 0.5466976 0.4533024), wk = 0.0030395 k( 284) = ( -0.4599735 0.5400265 0.4599735), wk = 0.0030395 k( 285) = ( -0.4666446 0.5333554 0.4666446), wk = 0.0030395 k( 286) = ( -0.4733156 0.5266844 0.4733157), wk = 0.0030395 k( 287) = ( -0.4799867 0.5200133 0.4799867), wk = 0.0030395 k( 288) = ( -0.4866578 0.5133422 0.4866578), wk = 0.0030395 k( 289) = ( -0.4933289 0.5066711 0.4933289), wk = 0.0030395 k( 290) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 292) = ( 0.0065790 0.0065789 0.4934211), wk = 0.0030395 k( 293) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0030395 k( 294) = ( 0.0197368 0.0197368 0.4802632), wk = 0.0030395 k( 295) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0030395 k( 296) = ( 0.0328947 0.0328947 0.4671053), wk = 0.0030395 k( 297) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0030395 k( 298) = ( 0.0460526 0.0460526 0.4539474), wk = 0.0030395 k( 299) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0030395 k( 300) = ( 0.0592105 0.0592105 0.4407895), wk = 0.0030395 k( 301) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0030395 k( 302) = ( 0.0723684 0.0723684 0.4276316), wk = 0.0030395 k( 303) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0030395 k( 304) = ( 0.0855263 0.0855263 0.4144737), wk = 0.0030395 k( 305) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0030395 k( 306) = ( 0.0986842 0.0986842 0.4013158), wk = 0.0030395 k( 307) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0030395 k( 308) = ( 0.1118421 0.1118421 0.3881579), wk = 0.0030395 k( 309) = ( 0.1184210 0.1184210 0.3815790), wk = 0.0030395 k( 310) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030395 k( 311) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0030395 k( 312) = ( 0.1381579 0.1381579 0.3618421), wk = 0.0030395 k( 313) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0030395 k( 314) = ( 0.1513158 0.1513158 0.3486842), wk = 0.0030395 k( 315) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0030395 k( 316) = ( 0.1644737 0.1644737 0.3355263), wk = 0.0030395 k( 317) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0030395 k( 318) = ( 0.1776316 0.1776316 0.3223684), wk = 0.0030395 k( 319) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0030395 k( 320) = ( 0.1907895 0.1907895 0.3092105), wk = 0.0030395 k( 321) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0030395 k( 322) = ( 0.2039474 0.2039474 0.2960526), wk = 0.0030395 k( 323) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0030395 k( 324) = ( 0.2171053 0.2171053 0.2828947), wk = 0.0030395 k( 325) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0030395 k( 326) = ( 0.2302632 0.2302632 0.2697368), wk = 0.0030395 k( 327) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0030395 k( 328) = ( 0.2434210 0.2434210 0.2565790), wk = 0.0030395 k( 329) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030395 Dense grid: 101979 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 29449 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 220, 60) NL pseudopotentials 0.17 Mb ( 110, 104) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2835) G-vector shells 0.01 Mb ( 1283) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 220, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.19 Mb ( 104, 2, 60) The potential is recalculated from file : ./BiF5.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.5 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.3 secs Computing kpt #: 17 total cpu time spent up to now is 8.6 secs Computing kpt #: 18 total cpu time spent up to now is 9.0 secs Computing kpt #: 19 total cpu time spent up to now is 9.4 secs Computing kpt #: 20 total cpu time spent up to now is 9.8 secs Computing kpt #: 21 total cpu time spent up to now is 10.2 secs Computing kpt #: 22 total cpu time spent up to now is 10.6 secs Computing kpt #: 23 total cpu time spent up to now is 11.0 secs Computing kpt #: 24 total cpu time spent up to now is 11.4 secs Computing kpt #: 25 total cpu time spent up to now is 11.8 secs Computing kpt #: 26 total cpu time spent up to now is 12.1 secs Computing kpt #: 27 total cpu time spent up to now is 12.5 secs Computing kpt #: 28 total cpu time spent up to now is 12.9 secs Computing kpt #: 29 total cpu time spent up to now is 13.3 secs Computing kpt #: 30 total cpu time spent up to now is 13.7 secs Computing kpt #: 31 total cpu time spent up to now is 14.0 secs Computing kpt #: 32 total cpu time spent up to now is 14.4 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.2 secs Computing kpt #: 35 total cpu time spent up to now is 15.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.0 secs Computing kpt #: 37 total cpu time spent up to now is 16.3 secs Computing kpt #: 38 total cpu time spent up to now is 16.7 secs Computing kpt #: 39 total cpu time spent up to now is 17.1 secs Computing kpt #: 40 total cpu time spent up to now is 17.5 secs Computing kpt #: 41 total cpu time spent up to now is 17.9 secs Computing kpt #: 42 total cpu time spent up to now is 18.3 secs Computing kpt #: 43 total cpu time spent up to now is 18.7 secs Computing kpt #: 44 total cpu time spent up to now is 19.1 secs Computing kpt #: 45 total cpu time spent up to now is 19.5 secs Computing kpt #: 46 total cpu time spent up to now is 19.9 secs Computing kpt #: 47 total cpu time spent up to now is 20.3 secs Computing kpt #: 48 total cpu time spent up to now is 20.8 secs Computing kpt #: 49 total cpu time spent up to now is 21.2 secs Computing kpt #: 50 total cpu time spent up to now is 21.6 secs Computing kpt #: 51 total cpu time spent up to now is 22.1 secs Computing kpt #: 52 total cpu time spent up to now is 22.6 secs Computing kpt #: 53 total cpu time spent up to now is 23.1 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 24.0 secs Computing kpt #: 56 total cpu time spent up to now is 24.4 secs Computing kpt #: 57 total cpu time spent up to now is 24.8 secs Computing kpt #: 58 total cpu time spent up to now is 25.3 secs Computing kpt #: 59 total cpu time spent up to now is 25.7 secs Computing kpt #: 60 total cpu time spent up to now is 26.1 secs Computing kpt #: 61 total cpu time spent up to now is 26.5 secs Computing kpt #: 62 total cpu time spent up to now is 27.0 secs Computing kpt #: 63 total cpu time spent up to now is 27.4 secs Computing kpt #: 64 total cpu time spent up to now is 27.8 secs Computing kpt #: 65 total cpu time spent up to now is 28.2 secs Computing kpt #: 66 total cpu time spent up to now is 28.6 secs Computing kpt #: 67 total cpu time spent up to now is 29.0 secs Computing kpt #: 68 total cpu time spent up to now is 29.4 secs Computing kpt #: 69 total cpu time spent up to now is 29.9 secs Computing kpt #: 70 total cpu time spent up to now is 30.3 secs Computing kpt #: 71 total cpu time spent up to now is 30.6 secs Computing kpt #: 72 total cpu time spent up to now is 31.0 secs Computing kpt #: 73 total cpu time spent up to now is 31.4 secs Computing kpt #: 74 total cpu time spent up to now is 31.9 secs Computing kpt #: 75 total cpu time spent up to now is 32.3 secs Computing kpt #: 76 total cpu time spent up to now is 32.7 secs Computing kpt #: 77 total cpu time spent up to now is 33.1 secs Computing kpt #: 78 total cpu time spent up to now is 33.5 secs Computing kpt #: 79 total cpu time spent up to now is 33.9 secs Computing kpt #: 80 total cpu time spent up to now is 34.4 secs Computing kpt #: 81 total cpu time spent up to now is 34.9 secs Computing kpt #: 82 total cpu time spent up to now is 35.4 secs Computing kpt #: 83 total cpu time spent up to now is 35.9 secs Computing kpt #: 84 total cpu time spent up to now is 36.4 secs Computing kpt #: 85 total cpu time spent up to now is 36.9 secs Computing kpt #: 86 total cpu time spent up to now is 37.4 secs Computing kpt #: 87 total cpu time spent up to now is 37.9 secs Computing kpt #: 88 total cpu time spent up to now is 38.4 secs Computing kpt #: 89 total cpu time spent up to now is 39.0 secs Computing kpt #: 90 total cpu time spent up to now is 39.5 secs Computing kpt #: 91 total cpu time spent up to now is 40.0 secs Computing kpt #: 92 total cpu time spent up to now is 40.5 secs Computing kpt #: 93 total cpu time spent up to now is 41.0 secs Computing kpt #: 94 total cpu time spent up to now is 41.4 secs Computing kpt #: 95 total cpu time spent up to now is 41.8 secs Computing kpt #: 96 total cpu time spent up to now is 42.3 secs Computing kpt #: 97 total cpu time spent up to now is 42.7 secs Computing kpt #: 98 total cpu time spent up to now is 43.0 secs Computing kpt #: 99 total cpu time spent up to now is 43.4 secs Computing kpt #: 100 total cpu time spent up to now is 43.8 secs Computing kpt #: 101 total cpu time spent up to now is 44.2 secs Computing kpt #: 102 total cpu time spent up to now is 44.6 secs Computing kpt #: 103 total cpu time spent up to now is 45.0 secs Computing kpt #: 104 total cpu time spent up to now is 45.4 secs Computing kpt #: 105 total cpu time spent up to now is 45.7 secs Computing kpt #: 106 total cpu time spent up to now is 46.1 secs Computing kpt #: 107 total cpu time spent up to now is 46.5 secs Computing kpt #: 108 total cpu time spent up to now is 46.9 secs Computing kpt #: 109 total cpu time spent up to now is 47.3 secs Computing kpt #: 110 total cpu time spent up to now is 47.6 secs Computing kpt #: 111 total cpu time spent up to now is 48.0 secs Computing kpt #: 112 total cpu time spent up to now is 48.4 secs Computing kpt #: 113 total cpu time spent up to now is 48.8 secs Computing kpt #: 114 total cpu time spent up to now is 49.1 secs Computing kpt #: 115 total cpu time spent up to now is 49.5 secs Computing kpt #: 116 total cpu time spent up to now is 49.9 secs Computing kpt #: 117 total cpu time spent up to now is 50.3 secs Computing kpt #: 118 total cpu time spent up to now is 50.6 secs Computing kpt #: 119 total cpu time spent up to now is 51.0 secs Computing kpt #: 120 total cpu time spent up to now is 51.4 secs Computing kpt #: 121 total cpu time spent up to now is 51.8 secs Computing kpt #: 122 total cpu time spent up to now is 52.1 secs Computing kpt #: 123 total cpu time spent up to now is 52.5 secs Computing kpt #: 124 total cpu time spent up to now is 52.9 secs Computing kpt #: 125 total cpu time spent up to now is 53.3 secs Computing kpt #: 126 total cpu time spent up to now is 53.7 secs Computing kpt #: 127 total cpu time spent up to now is 54.1 secs Computing kpt #: 128 total cpu time spent up to now is 54.4 secs Computing kpt #: 129 total cpu time spent up to now is 54.8 secs Computing kpt #: 130 total cpu time spent up to now is 55.2 secs Computing kpt #: 131 total cpu time spent up to now is 55.6 secs Computing kpt #: 132 total cpu time spent up to now is 55.9 secs Computing kpt #: 133 total cpu time spent up to now is 56.3 secs Computing kpt #: 134 total cpu time spent up to now is 56.7 secs Computing kpt #: 135 total cpu time spent up to now is 57.1 secs Computing kpt #: 136 total cpu time spent up to now is 57.5 secs Computing kpt #: 137 total cpu time spent up to now is 57.8 secs Computing kpt #: 138 total cpu time spent up to now is 58.2 secs Computing kpt #: 139 total cpu time spent up to now is 58.6 secs Computing kpt #: 140 total cpu time spent up to now is 59.0 secs Computing kpt #: 141 total cpu time spent up to now is 59.4 secs Computing kpt #: 142 total cpu time spent up to now is 59.7 secs Computing kpt #: 143 total cpu time spent up to now is 60.1 secs Computing kpt #: 144 total cpu time spent up to now is 60.5 secs Computing kpt #: 145 total cpu time spent up to now is 60.9 secs Computing kpt #: 146 total cpu time spent up to now is 61.3 secs Computing kpt #: 147 total cpu time spent up to now is 61.7 secs Computing kpt #: 148 total cpu time spent up to now is 62.0 secs Computing kpt #: 149 total cpu time spent up to now is 62.4 secs Computing kpt #: 150 total cpu time spent up to now is 62.8 secs Computing kpt #: 151 total cpu time spent up to now is 63.2 secs Computing kpt #: 152 total cpu time spent up to now is 63.6 secs Computing kpt #: 153 total cpu time spent up to now is 64.0 secs Computing kpt #: 154 total cpu time spent up to now is 64.4 secs Computing kpt #: 155 total cpu time spent up to now is 64.8 secs Computing kpt #: 156 total cpu time spent up to now is 65.2 secs Computing kpt #: 157 total cpu time spent up to now is 65.6 secs Computing kpt #: 158 total cpu time spent up to now is 66.0 secs Computing kpt #: 159 total cpu time spent up to now is 66.4 secs Computing kpt #: 160 total cpu time spent up to now is 66.8 secs Computing kpt #: 161 total cpu time spent up to now is 67.2 secs Computing kpt #: 162 total cpu time spent up to now is 67.7 secs Computing kpt #: 163 total cpu time spent up to now is 68.2 secs Computing kpt #: 164 total cpu time spent up to now is 68.8 secs Computing kpt #: 165 total cpu time spent up to now is 69.3 secs Computing kpt #: 166 total cpu time spent up to now is 69.9 secs Computing kpt #: 167 total cpu time spent up to now is 70.4 secs Computing kpt #: 168 total cpu time spent up to now is 70.9 secs Computing kpt #: 169 total cpu time spent up to now is 71.3 secs Computing kpt #: 170 total cpu time spent up to now is 71.7 secs Computing kpt #: 171 total cpu time spent up to now is 72.1 secs Computing kpt #: 172 total cpu time spent up to now is 72.5 secs Computing kpt #: 173 total cpu time spent up to now is 72.9 secs Computing kpt #: 174 total cpu time spent up to now is 73.3 secs Computing kpt #: 175 total cpu time spent up to now is 73.7 secs Computing kpt #: 176 total cpu time spent up to now is 74.1 secs Computing kpt #: 177 total cpu time spent up to now is 74.5 secs Computing kpt #: 178 total cpu time spent up to now is 74.9 secs Computing kpt #: 179 total cpu time spent up to now is 75.3 secs Computing kpt #: 180 total cpu time spent up to now is 75.7 secs Computing kpt #: 181 total cpu time spent up to now is 76.1 secs Computing kpt #: 182 total cpu time spent up to now is 76.5 secs Computing kpt #: 183 total cpu time spent up to now is 77.0 secs Computing kpt #: 184 total cpu time spent up to now is 77.4 secs Computing kpt #: 185 total cpu time spent up to now is 77.9 secs Computing kpt #: 186 total cpu time spent up to now is 78.5 secs Computing kpt #: 187 total cpu time spent up to now is 79.0 secs Computing kpt #: 188 total cpu time spent up to now is 79.5 secs Computing kpt #: 189 total cpu time spent up to now is 80.0 secs Computing kpt #: 190 total cpu time spent up to now is 80.5 secs Computing kpt #: 191 total cpu time spent up to now is 81.0 secs Computing kpt #: 192 total cpu time spent up to now is 81.5 secs Computing kpt #: 193 total cpu time spent up to now is 82.1 secs Computing kpt #: 194 total cpu time spent up to now is 82.6 secs Computing kpt #: 195 total cpu time spent up to now is 83.1 secs Computing kpt #: 196 total cpu time spent up to now is 83.6 secs Computing kpt #: 197 total cpu time spent up to now is 84.1 secs Computing kpt #: 198 total cpu time spent up to now is 84.6 secs Computing kpt #: 199 total cpu time spent up to now is 85.2 secs Computing kpt #: 200 total cpu time spent up to now is 85.7 secs Computing kpt #: 201 total cpu time spent up to now is 86.2 secs Computing kpt #: 202 total cpu time spent up to now is 86.7 secs Computing kpt #: 203 total cpu time spent up to now is 87.3 secs Computing kpt #: 204 total cpu time spent up to now is 87.8 secs Computing kpt #: 205 total cpu time spent up to now is 88.3 secs Computing kpt #: 206 total cpu time spent up to now is 88.9 secs Computing kpt #: 207 total cpu time spent up to now is 89.4 secs Computing kpt #: 208 total cpu time spent up to now is 89.9 secs Computing kpt #: 209 total cpu time spent up to now is 90.4 secs Computing kpt #: 210 total cpu time spent up to now is 90.9 secs Computing kpt #: 211 total cpu time spent up to now is 91.3 secs Computing kpt #: 212 total cpu time spent up to now is 91.8 secs Computing kpt #: 213 total cpu time spent up to now is 92.2 secs Computing kpt #: 214 total cpu time spent up to now is 92.7 secs Computing kpt #: 215 total cpu time spent up to now is 93.2 secs Computing kpt #: 216 total cpu time spent up to now is 93.7 secs Computing kpt #: 217 total cpu time spent up to now is 94.2 secs Computing kpt #: 218 total cpu time spent up to now is 94.7 secs Computing kpt #: 219 total cpu time spent up to now is 95.2 secs Computing kpt #: 220 total cpu time spent up to now is 95.7 secs Computing kpt #: 221 total cpu time spent up to now is 96.2 secs Computing kpt #: 222 total cpu time spent up to now is 96.7 secs Computing kpt #: 223 total cpu time spent up to now is 97.1 secs Computing kpt #: 224 total cpu time spent up to now is 97.5 secs Computing kpt #: 225 total cpu time spent up to now is 98.0 secs Computing kpt #: 226 total cpu time spent up to now is 98.4 secs Computing kpt #: 227 total cpu time spent up to now is 98.8 secs Computing kpt #: 228 total cpu time spent up to now is 99.2 secs Computing kpt #: 229 total cpu time spent up to now is 99.6 secs Computing kpt #: 230 total cpu time spent up to now is 100.0 secs Computing kpt #: 231 total cpu time spent up to now is 100.5 secs Computing kpt #: 232 total cpu time spent up to now is 100.9 secs Computing kpt #: 233 total cpu time spent up to now is 101.3 secs Computing kpt #: 234 total cpu time spent up to now is 101.7 secs Computing kpt #: 235 total cpu time spent up to now is 102.1 secs Computing kpt #: 236 total cpu time spent up to now is 102.5 secs Computing kpt #: 237 total cpu time spent up to now is 102.9 secs Computing kpt #: 238 total cpu time spent up to now is 103.3 secs Computing kpt #: 239 total cpu time spent up to now is 103.7 secs Computing kpt #: 240 total cpu time spent up to now is 104.1 secs Computing kpt #: 241 total cpu time spent up to now is 104.5 secs Computing kpt #: 242 total cpu time spent up to now is 104.9 secs Computing kpt #: 243 total cpu time spent up to now is 105.3 secs Computing kpt #: 244 total cpu time spent up to now is 105.7 secs Computing kpt #: 245 total cpu time spent up to now is 106.1 secs Computing kpt #: 246 total cpu time spent up to now is 106.6 secs Computing kpt #: 247 total cpu time spent up to now is 107.0 secs Computing kpt #: 248 total cpu time spent up to now is 107.4 secs Computing kpt #: 249 total cpu time spent up to now is 107.8 secs Computing kpt #: 250 total cpu time spent up to now is 108.2 secs Computing kpt #: 251 total cpu time spent up to now is 108.7 secs Computing kpt #: 252 total cpu time spent up to now is 109.2 secs Computing kpt #: 253 total cpu time spent up to now is 109.6 secs Computing kpt #: 254 total cpu time spent up to now is 110.1 secs Computing kpt #: 255 total cpu time spent up to now is 110.6 secs Computing kpt #: 256 total cpu time spent up to now is 111.1 secs Computing kpt #: 257 total cpu time spent up to now is 111.6 secs Computing kpt #: 258 total cpu time spent up to now is 112.1 secs Computing kpt #: 259 total cpu time spent up to now is 112.5 secs Computing kpt #: 260 total cpu time spent up to now is 112.9 secs Computing kpt #: 261 total cpu time spent up to now is 113.3 secs Computing kpt #: 262 total cpu time spent up to now is 113.7 secs Computing kpt #: 263 total cpu time spent up to now is 114.2 secs Computing kpt #: 264 total cpu time spent up to now is 114.6 secs Computing kpt #: 265 total cpu time spent up to now is 115.0 secs Computing kpt #: 266 total cpu time spent up to now is 115.4 secs Computing kpt #: 267 total cpu time spent up to now is 115.8 secs Computing kpt #: 268 total cpu time spent up to now is 116.2 secs Computing kpt #: 269 total cpu time spent up to now is 116.6 secs Computing kpt #: 270 total cpu time spent up to now is 116.9 secs Computing kpt #: 271 total cpu time spent up to now is 117.3 secs Computing kpt #: 272 total cpu time spent up to now is 117.7 secs Computing kpt #: 273 total cpu time spent up to now is 118.1 secs Computing kpt #: 274 total cpu time spent up to now is 118.5 secs Computing kpt #: 275 total cpu time spent up to now is 118.9 secs Computing kpt #: 276 total cpu time spent up to now is 119.3 secs Computing kpt #: 277 total cpu time spent up to now is 119.7 secs Computing kpt #: 278 total cpu time spent up to now is 120.1 secs Computing kpt #: 279 total cpu time spent up to now is 120.5 secs Computing kpt #: 280 total cpu time spent up to now is 120.9 secs Computing kpt #: 281 total cpu time spent up to now is 121.3 secs Computing kpt #: 282 total cpu time spent up to now is 121.7 secs Computing kpt #: 283 total cpu time spent up to now is 122.1 secs Computing kpt #: 284 total cpu time spent up to now is 122.5 secs Computing kpt #: 285 total cpu time spent up to now is 122.9 secs Computing kpt #: 286 total cpu time spent up to now is 123.3 secs Computing kpt #: 287 total cpu time spent up to now is 123.7 secs Computing kpt #: 288 total cpu time spent up to now is 124.1 secs Computing kpt #: 289 total cpu time spent up to now is 124.5 secs Computing kpt #: 290 total cpu time spent up to now is 124.9 secs Computing kpt #: 291 total cpu time spent up to now is 125.3 secs Computing kpt #: 292 total cpu time spent up to now is 125.7 secs Computing kpt #: 293 total cpu time spent up to now is 126.1 secs Computing kpt #: 294 total cpu time spent up to now is 126.4 secs Computing kpt #: 295 total cpu time spent up to now is 126.8 secs Computing kpt #: 296 total cpu time spent up to now is 127.2 secs Computing kpt #: 297 total cpu time spent up to now is 127.6 secs Computing kpt #: 298 total cpu time spent up to now is 128.0 secs Computing kpt #: 299 total cpu time spent up to now is 128.4 secs Computing kpt #: 300 total cpu time spent up to now is 128.8 secs Computing kpt #: 301 total cpu time spent up to now is 129.2 secs Computing kpt #: 302 total cpu time spent up to now is 129.6 secs Computing kpt #: 303 total cpu time spent up to now is 130.0 secs Computing kpt #: 304 total cpu time spent up to now is 130.4 secs Computing kpt #: 305 total cpu time spent up to now is 130.8 secs Computing kpt #: 306 total cpu time spent up to now is 131.2 secs Computing kpt #: 307 total cpu time spent up to now is 131.6 secs Computing kpt #: 308 total cpu time spent up to now is 132.0 secs Computing kpt #: 309 total cpu time spent up to now is 132.4 secs Computing kpt #: 310 total cpu time spent up to now is 132.8 secs Computing kpt #: 311 total cpu time spent up to now is 133.3 secs Computing kpt #: 312 total cpu time spent up to now is 133.7 secs Computing kpt #: 313 total cpu time spent up to now is 134.1 secs Computing kpt #: 314 total cpu time spent up to now is 134.5 secs Computing kpt #: 315 total cpu time spent up to now is 135.0 secs Computing kpt #: 316 total cpu time spent up to now is 135.5 secs Computing kpt #: 317 total cpu time spent up to now is 136.0 secs Computing kpt #: 318 total cpu time spent up to now is 136.5 secs Computing kpt #: 319 total cpu time spent up to now is 137.0 secs Computing kpt #: 320 total cpu time spent up to now is 137.5 secs Computing kpt #: 321 total cpu time spent up to now is 138.0 secs Computing kpt #: 322 total cpu time spent up to now is 138.6 secs Computing kpt #: 323 total cpu time spent up to now is 139.1 secs Computing kpt #: 324 total cpu time spent up to now is 139.6 secs Computing kpt #: 325 total cpu time spent up to now is 140.1 secs Computing kpt #: 326 total cpu time spent up to now is 140.6 secs Computing kpt #: 327 total cpu time spent up to now is 141.2 secs Computing kpt #: 328 total cpu time spent up to now is 141.7 secs Computing kpt #: 329 total cpu time spent up to now is 142.2 secs ethr = 2.00E-08, avg # of iterations = 16.8 total cpu time spent up to now is 142.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3685 PWs) bands (ev): -22.7051 -22.7051 -22.4866 -22.4866 -21.1377 -21.1377 -20.2264 -20.2264 -20.0915 -20.0915 -19.7439 -19.7439 -19.6481 -19.6481 -18.4807 -18.4807 -17.0768 -17.0768 -16.4056 -16.4056 -6.2509 -6.2509 -4.7210 -4.7210 -3.1580 -3.1580 -2.7878 -2.7878 -1.0181 -1.0181 -0.9713 -0.9713 -0.9626 -0.9626 -0.5070 -0.5070 -0.4830 -0.4830 -0.1027 -0.1027 -0.0057 -0.0057 0.0539 0.0539 0.0697 0.0697 0.0942 0.0942 0.1117 0.1117 3.6707 3.6707 10.5337 10.5337 11.5458 11.5458 12.7420 12.7420 13.1384 13.1384 k = 0.0000 0.0000 0.0162 ( 3683 PWs) bands (ev): -22.7051 -22.7051 -22.4866 -22.4866 -21.1375 -21.1375 -20.2264 -20.2264 -20.0915 -20.0915 -19.7441 -19.7441 -19.6482 -19.6482 -18.4806 -18.4806 -17.0767 -17.0767 -16.4056 -16.4056 -6.2510 -6.2510 -4.7211 -4.7211 -3.1576 -3.1576 -2.7874 -2.7874 -1.0216 -1.0216 -0.9773 -0.9773 -0.9535 -0.9535 -0.5072 -0.5072 -0.4833 -0.4833 -0.1023 -0.1023 -0.0058 -0.0058 0.0513 0.0513 0.0662 0.0662 0.0949 0.0949 0.1167 0.1167 3.6720 3.6720 10.5326 10.5326 11.5449 11.5449 12.7431 12.7431 13.1392 13.1392 k = 0.0000 0.0000 0.0323 ( 3683 PWs) bands (ev): -22.7050 -22.7050 -22.4865 -22.4865 -21.1370 -21.1370 -20.2264 -20.2264 -20.0915 -20.0915 -19.7446 -19.7446 -19.6488 -19.6488 -18.4806 -18.4806 -17.0766 -17.0766 -16.4054 -16.4054 -6.2512 -6.2512 -4.7214 -4.7214 -3.1567 -3.1567 -2.7862 -2.7862 -1.0313 -1.0313 -0.9828 -0.9828 -0.9394 -0.9394 -0.5080 -0.5080 -0.4842 -0.4842 -0.1012 -0.1012 -0.0062 -0.0062 0.0438 0.0438 0.0595 0.0595 0.0968 0.0968 0.1282 0.1282 3.6760 3.6760 10.5294 10.5294 11.5422 11.5422 12.7464 12.7464 13.1415 13.1415 k = 0.0000 0.0000 0.0485 ( 3679 PWs) bands (ev): -22.7049 -22.7049 -22.4865 -22.4865 -21.1361 -21.1361 -20.2263 -20.2263 -20.0914 -20.0914 -19.7455 -19.7455 -19.6497 -19.6497 -18.4806 -18.4806 -17.0764 -17.0764 -16.4051 -16.4051 -6.2516 -6.2516 -4.7218 -4.7218 -3.1551 -3.1551 -2.7843 -2.7843 -1.0449 -1.0449 -0.9860 -0.9860 -0.9244 -0.9244 -0.5094 -0.5094 -0.4857 -0.4857 -0.0993 -0.0993 -0.0077 -0.0077 0.0339 0.0339 0.0526 0.0526 0.0992 0.0992 0.1422 0.1422 3.6827 3.6827 10.5242 10.5242 11.5379 11.5379 12.7517 12.7517 13.1454 13.1454 k = 0.0000 0.0000 0.0646 ( 3669 PWs) bands (ev): -22.7047 -22.7047 -22.4864 -22.4864 -21.1348 -21.1348 -20.2262 -20.2262 -20.0913 -20.0913 -19.7468 -19.7468 -19.6509 -19.6509 -18.4806 -18.4806 -17.0761 -17.0761 -16.4047 -16.4047 -6.2521 -6.2521 -4.7224 -4.7224 -3.1530 -3.1530 -2.7815 -2.7815 -1.0605 -1.0605 -0.9881 -0.9881 -0.9092 -0.9092 -0.5112 -0.5112 -0.4877 -0.4877 -0.0967 -0.0967 -0.0115 -0.0115 0.0245 0.0245 0.0458 0.0458 0.1017 0.1017 0.1573 0.1573 3.6919 3.6919 10.5168 10.5168 11.5322 11.5322 12.7588 12.7588 13.1507 13.1507 k = 0.0000 0.0000 0.0808 ( 3669 PWs) bands (ev): -22.7045 -22.7045 -22.4863 -22.4863 -21.1332 -21.1332 -20.2261 -20.2261 -20.0912 -20.0912 -19.7485 -19.7485 -19.6523 -19.6523 -18.4805 -18.4805 -17.0758 -17.0758 -16.4042 -16.4042 -6.2528 -6.2528 -4.7232 -4.7232 -3.1505 -3.1505 -2.7778 -2.7778 -1.0771 -1.0771 -0.9897 -0.9897 -0.8941 -0.8941 -0.5135 -0.5135 -0.4902 -0.4902 -0.0935 -0.0935 -0.0192 -0.0192 0.0175 0.0175 0.0396 0.0396 0.1038 0.1038 0.1729 0.1729 3.7035 3.7035 10.5074 10.5074 11.5253 11.5253 12.7677 12.7677 13.1574 13.1574 k = 0.0000 0.0000 0.0969 ( 3669 PWs) bands (ev): -22.7042 -22.7042 -22.4862 -22.4862 -21.1313 -21.1313 -20.2260 -20.2260 -20.0911 -20.0911 -19.7506 -19.7506 -19.6541 -19.6541 -18.4805 -18.4805 -17.0754 -17.0754 -16.4036 -16.4036 -6.2536 -6.2536 -4.7242 -4.7242 -3.1477 -3.1477 -2.7732 -2.7732 -1.0942 -1.0942 -0.9913 -0.9913 -0.8792 -0.8792 -0.5163 -0.5163 -0.4931 -0.4931 -0.0898 -0.0898 -0.0306 -0.0306 0.0118 0.0118 0.0354 0.0354 0.1055 0.1055 0.1886 0.1886 3.7175 3.7175 10.4959 10.4959 11.5177 11.5177 12.7780 12.7780 13.1653 13.1653 k = 0.0000 0.0000 0.1131 ( 3669 PWs) bands (ev): -22.7040 -22.7040 -22.4861 -22.4861 -21.1291 -21.1291 -20.2258 -20.2258 -20.0910 -20.0910 -19.7531 -19.7531 -19.6560 -19.6560 -18.4805 -18.4805 -17.0750 -17.0750 -16.4029 -16.4029 -6.2544 -6.2544 -4.7253 -4.7253 -3.1447 -3.1447 -2.7676 -2.7676 -1.1115 -1.1115 -0.9928 -0.9928 -0.8648 -0.8648 -0.5195 -0.5195 -0.4963 -0.4963 -0.0856 -0.0856 -0.0442 -0.0442 0.0052 0.0052 0.0342 0.0342 0.1068 0.1068 0.2044 0.2044 3.7336 3.7336 10.4824 10.4824 11.5097 11.5097 12.7895 12.7895 13.1743 13.1743 k = 0.0000 0.0000 0.1292 ( 3664 PWs) bands (ev): -22.7037 -22.7037 -22.4859 -22.4859 -21.1265 -21.1265 -20.2256 -20.2256 -20.0909 -20.0909 -19.7562 -19.7562 -19.6580 -19.6580 -18.4804 -18.4804 -17.0744 -17.0744 -16.4022 -16.4022 -6.2554 -6.2554 -4.7266 -4.7266 -3.1417 -3.1417 -2.7608 -2.7608 -1.1289 -1.1289 -0.9943 -0.9943 -0.8508 -0.8508 -0.5231 -0.5231 -0.4999 -0.4999 -0.0813 -0.0813 -0.0588 -0.0588 -0.0029 -0.0029 0.0359 0.0359 0.1076 0.1076 0.2200 0.2200 3.7516 3.7516 10.4670 10.4670 11.5015 11.5015 12.8019 12.8019 13.1842 13.1842 k = 0.0000 0.0000 0.1454 ( 3674 PWs) bands (ev): -22.7034 -22.7034 -22.4858 -22.4858 -21.1236 -21.1236 -20.2255 -20.2255 -20.0907 -20.0907 -19.7598 -19.7598 -19.6601 -19.6601 -18.4804 -18.4804 -17.0739 -17.0739 -16.4013 -16.4013 -6.2565 -6.2565 -4.7280 -4.7280 -3.1389 -3.1389 -2.7530 -2.7530 -1.1461 -1.1461 -0.9959 -0.9959 -0.8374 -0.8374 -0.5271 -0.5271 -0.5037 -0.5037 -0.0775 -0.0775 -0.0732 -0.0732 -0.0119 -0.0119 0.0395 0.0395 0.1078 0.1078 0.2355 0.2355 3.7714 3.7714 10.4497 10.4497 11.4935 11.4935 12.8151 12.8151 13.1947 13.1947 k = 0.0000 0.0000 0.1615 ( 3680 PWs) bands (ev): -22.7030 -22.7030 -22.4857 -22.4857 -21.1205 -21.1205 -20.2252 -20.2252 -20.0906 -20.0906 -19.7639 -19.7639 -19.6622 -19.6622 -18.4803 -18.4803 -17.0733 -17.0733 -16.4004 -16.4004 -6.2576 -6.2576 -4.7296 -4.7296 -3.1363 -3.1363 -2.7439 -2.7439 -1.1632 -1.1632 -0.9975 -0.9975 -0.8246 -0.8246 -0.5313 -0.5313 -0.5076 -0.5076 -0.0899 -0.0899 -0.0719 -0.0719 -0.0211 -0.0211 0.0443 0.0443 0.1075 0.1075 0.2507 0.2507 3.7928 3.7928 10.4307 10.4307 11.4861 11.4861 12.8289 12.8289 13.2057 13.2057 k = 0.0000 0.0000 0.1777 ( 3678 PWs) bands (ev): -22.7026 -22.7026 -22.4855 -22.4855 -21.1171 -21.1171 -20.2250 -20.2250 -20.0903 -20.0903 -19.7685 -19.7685 -19.6642 -19.6642 -18.4803 -18.4803 -17.0727 -17.0727 -16.3994 -16.3994 -6.2588 -6.2588 -4.7313 -4.7313 -3.1340 -3.1340 -2.7337 -2.7337 -1.1799 -1.1799 -0.9990 -0.9990 -0.8124 -0.8124 -0.5358 -0.5358 -0.5117 -0.5117 -0.1055 -0.1055 -0.0679 -0.0679 -0.0299 -0.0299 0.0499 0.0499 0.1068 0.1068 0.2656 0.2656 3.8155 3.8155 10.4102 10.4102 11.4793 11.4793 12.8431 12.8431 13.2169 13.2169 k = 0.0000 0.0000 0.1938 ( 3676 PWs) bands (ev): -22.7022 -22.7022 -22.4853 -22.4853 -21.1134 -21.1134 -20.2247 -20.2247 -20.0901 -20.0901 -19.7737 -19.7737 -19.6662 -19.6662 -18.4802 -18.4802 -17.0720 -17.0720 -16.3983 -16.3983 -6.2600 -6.2600 -4.7330 -4.7330 -3.1323 -3.1323 -2.7223 -2.7223 -1.1962 -1.1962 -1.0006 -1.0006 -0.8010 -0.8010 -0.5404 -0.5404 -0.5159 -0.5159 -0.1211 -0.1211 -0.0654 -0.0654 -0.0372 -0.0372 0.0562 0.0562 0.1055 0.1055 0.2802 0.2802 3.8393 3.8393 10.3883 10.3883 11.4735 11.4735 12.8576 12.8576 13.2280 13.2280 k = 0.0000 0.0000 0.2100 ( 3680 PWs) bands (ev): -22.7018 -22.7018 -22.4851 -22.4851 -21.1096 -21.1096 -20.2244 -20.2244 -20.0898 -20.0898 -19.7794 -19.7794 -19.6680 -19.6680 -18.4802 -18.4802 -17.0713 -17.0713 -16.3972 -16.3972 -6.2612 -6.2612 -4.7349 -4.7349 -3.1311 -3.1311 -2.7097 -2.7097 -1.2122 -1.2122 -1.0021 -1.0021 -0.7902 -0.7902 -0.5451 -0.5451 -0.5202 -0.5202 -0.1367 -0.1367 -0.0662 -0.0662 -0.0410 -0.0410 0.0630 0.0630 0.1038 0.1038 0.2944 0.2944 3.8640 3.8640 10.3652 10.3652 11.4686 11.4686 12.8724 12.8724 13.2389 13.2389 k = 0.0000 0.0000 0.2261 ( 3676 PWs) bands (ev): -22.7013 -22.7013 -22.4849 -22.4849 -21.1055 -21.1055 -20.2240 -20.2240 -20.0895 -20.0895 -19.7856 -19.7856 -19.6698 -19.6698 -18.4801 -18.4801 -17.0706 -17.0706 -16.3961 -16.3961 -6.2624 -6.2624 -4.7368 -4.7368 -3.1304 -3.1304 -2.6962 -2.6962 -1.2275 -1.2275 -1.0036 -1.0036 -0.7802 -0.7802 -0.5498 -0.5498 -0.5245 -0.5245 -0.1520 -0.1520 -0.0711 -0.0711 -0.0403 -0.0403 0.0700 0.0700 0.1016 0.1016 0.3081 0.3081 3.8893 3.8893 10.3412 10.3412 11.4649 11.4649 12.8873 12.8873 13.2492 13.2492 k = 0.0000 0.0000 0.2423 ( 3680 PWs) bands (ev): -22.7008 -22.7008 -22.4847 -22.4847 -21.1013 -21.1013 -20.2237 -20.2237 -20.0891 -20.0891 -19.7923 -19.7923 -19.6713 -19.6713 -18.4800 -18.4800 -17.0698 -17.0698 -16.3949 -16.3949 -6.2636 -6.2636 -4.7389 -4.7389 -3.1304 -3.1304 -2.6818 -2.6818 -1.2423 -1.2423 -1.0049 -1.0049 -0.7710 -0.7710 -0.5545 -0.5545 -0.5288 -0.5288 -0.1671 -0.1671 -0.0783 -0.0783 -0.0371 -0.0371 0.0773 0.0773 0.0990 0.0990 0.3214 0.3214 3.9150 3.9150 10.3165 10.3165 11.4622 11.4622 12.9023 12.9023 13.2588 13.2588 k = 0.0000 0.0000 0.2584 ( 3680 PWs) bands (ev): -22.7004 -22.7004 -22.4845 -22.4845 -21.0970 -21.0970 -20.2233 -20.2233 -20.0887 -20.0887 -19.7994 -19.7994 -19.6727 -19.6727 -18.4800 -18.4800 -17.0690 -17.0690 -16.3937 -16.3937 -6.2648 -6.2648 -4.7409 -4.7409 -3.1309 -3.1309 -2.6666 -2.6666 -1.2564 -1.2564 -1.0062 -1.0062 -0.7626 -0.7626 -0.5592 -0.5592 -0.5330 -0.5330 -0.1818 -0.1818 -0.0861 -0.0861 -0.0329 -0.0329 0.0845 0.0845 0.0961 0.0961 0.3341 0.3341 3.9408 3.9408 10.2914 10.2914 11.4607 11.4607 12.9174 12.9174 13.2675 13.2675 k = 0.0000 0.0000 0.2746 ( 3676 PWs) bands (ev): -22.6999 -22.6999 -22.4843 -22.4843 -21.0926 -21.0926 -20.2229 -20.2229 -20.0883 -20.0883 -19.8068 -19.8068 -19.6740 -19.6740 -18.4799 -18.4799 -17.0683 -17.0683 -16.3924 -16.3924 -6.2659 -6.2659 -4.7430 -4.7430 -3.1319 -3.1319 -2.6509 -2.6509 -1.2698 -1.2698 -1.0072 -1.0072 -0.7550 -0.7550 -0.5638 -0.5638 -0.5372 -0.5372 -0.1960 -0.1960 -0.0939 -0.0939 -0.0285 -0.0285 0.0897 0.0897 0.0950 0.0950 0.3462 0.3462 3.9666 3.9666 10.2661 10.2661 11.4602 11.4602 12.9326 12.9326 13.2750 13.2750 k = 0.0000 0.0000 0.2908 ( 3672 PWs) bands (ev): -22.6994 -22.6994 -22.4841 -22.4841 -21.0881 -21.0881 -20.2224 -20.2224 -20.0878 -20.0878 -19.8144 -19.8144 -19.6751 -19.6751 -18.4798 -18.4798 -17.0675 -17.0675 -16.3912 -16.3912 -6.2670 -6.2670 -4.7451 -4.7451 -3.1335 -3.1335 -2.6348 -2.6348 -1.2824 -1.2824 -1.0081 -1.0081 -0.7482 -0.7482 -0.5682 -0.5682 -0.5414 -0.5414 -0.2095 -0.2095 -0.1014 -0.1014 -0.0239 -0.0239 0.0875 0.0875 0.1009 0.1009 0.3578 0.3578 3.9922 3.9922 10.2408 10.2408 11.4607 11.4607 12.9478 12.9478 13.2813 13.2813 k = 0.0000 0.0000 0.3069 ( 3676 PWs) bands (ev): -22.6990 -22.6990 -22.4839 -22.4839 -21.0836 -21.0836 -20.2220 -20.2220 -20.0873 -20.0873 -19.8223 -19.8223 -19.6761 -19.6761 -18.4798 -18.4798 -17.0668 -17.0668 -16.3899 -16.3899 -6.2680 -6.2680 -4.7471 -4.7471 -3.1354 -3.1354 -2.6186 -2.6186 -1.2941 -1.2941 -1.0088 -1.0088 -0.7423 -0.7423 -0.5724 -0.5724 -0.5454 -0.5454 -0.2225 -0.2225 -0.1086 -0.1086 -0.0194 -0.0194 0.0835 0.0835 0.1081 0.1081 0.3687 0.3687 4.0172 4.0172 10.2159 10.2159 11.4620 11.4620 12.9630 12.9630 13.2863 13.2863 k = 0.0000 0.0000 0.3231 ( 3680 PWs) bands (ev): -22.6985 -22.6985 -22.4837 -22.4837 -21.0791 -21.0791 -20.2215 -20.2215 -20.0868 -20.0868 -19.8302 -19.8302 -19.6769 -19.6769 -18.4798 -18.4798 -17.0660 -17.0660 -16.3887 -16.3887 -6.2690 -6.2690 -4.7492 -4.7492 -3.1377 -3.1377 -2.6024 -2.6024 -1.3050 -1.3050 -1.0093 -1.0093 -0.7372 -0.7372 -0.5765 -0.5765 -0.5493 -0.5493 -0.2346 -0.2346 -0.1152 -0.1152 -0.0151 -0.0151 0.0791 0.0791 0.1154 0.1154 0.3791 0.3791 4.0416 4.0416 10.1915 10.1915 11.4642 11.4642 12.9781 12.9781 13.2898 13.2898 k = 0.0000 0.0000 0.3392 ( 3686 PWs) bands (ev): -22.6981 -22.6981 -22.4835 -22.4835 -21.0746 -21.0746 -20.2211 -20.2211 -20.0862 -20.0862 -19.8382 -19.8382 -19.6777 -19.6777 -18.4797 -18.4797 -17.0653 -17.0653 -16.3876 -16.3876 -6.2699 -6.2699 -4.7512 -4.7512 -3.1403 -3.1403 -2.5864 -2.5864 -1.3150 -1.3150 -1.0096 -1.0096 -0.7328 -0.7328 -0.5803 -0.5803 -0.5531 -0.5531 -0.2459 -0.2459 -0.1214 -0.1214 -0.0109 -0.0109 0.0744 0.0744 0.1225 0.1225 0.3887 0.3887 4.0651 4.0651 10.1679 10.1679 11.4670 11.4670 12.9932 12.9932 13.2919 13.2919 k = 0.0000 0.0000 0.3554 ( 3674 PWs) bands (ev): -22.6976 -22.6976 -22.4833 -22.4833 -21.0703 -21.0703 -20.2205 -20.2205 -20.0855 -20.0855 -19.8461 -19.8461 -19.6783 -19.6783 -18.4796 -18.4796 -17.0646 -17.0646 -16.3864 -16.3864 -6.2707 -6.2707 -4.7531 -4.7531 -3.1430 -3.1430 -2.5708 -2.5708 -1.3241 -1.3241 -1.0098 -1.0098 -0.7292 -0.7292 -0.5838 -0.5838 -0.5567 -0.5567 -0.2563 -0.2563 -0.1271 -0.1271 -0.0070 -0.0070 0.0695 0.0695 0.1293 0.1293 0.3977 0.3977 4.0875 4.0875 10.1453 10.1453 11.4703 11.4703 13.0083 13.0083 13.2924 13.2924 k = 0.0000 0.0000 0.3715 ( 3674 PWs) bands (ev): -22.6972 -22.6972 -22.4831 -22.4831 -21.0661 -21.0661 -20.2200 -20.2200 -20.0848 -20.0848 -19.8539 -19.8539 -19.6788 -19.6788 -18.4796 -18.4796 -17.0640 -17.0640 -16.3853 -16.3853 -6.2714 -6.2714 -4.7549 -4.7549 -3.1459 -3.1459 -2.5559 -2.5559 -1.3323 -1.3323 -1.0097 -1.0097 -0.7264 -0.7264 -0.5871 -0.5871 -0.5601 -0.5601 -0.2659 -0.2659 -0.1322 -0.1322 -0.0033 -0.0033 0.0645 0.0645 0.1358 0.1358 0.4060 0.4060 4.1088 4.1088 10.1238 10.1238 11.4740 11.4740 13.0232 13.0232 13.2916 13.2916 k = 0.0000 0.0000 0.3877 ( 3672 PWs) bands (ev): -22.6968 -22.6968 -22.4829 -22.4829 -21.0621 -21.0621 -20.2195 -20.2195 -20.0841 -20.0841 -19.8614 -19.8614 -19.6793 -19.6793 -18.4795 -18.4795 -17.0634 -17.0634 -16.3843 -16.3843 -6.2721 -6.2721 -4.7567 -4.7567 -3.1488 -3.1488 -2.5418 -2.5418 -1.3395 -1.3395 -1.0095 -1.0095 -0.7241 -0.7241 -0.5902 -0.5902 -0.5633 -0.5633 -0.2744 -0.2744 -0.1369 -0.1369 0.0001 0.0001 0.0595 0.0595 0.1419 0.1419 0.4135 0.4135 4.1286 4.1286 10.1037 10.1037 11.4780 11.4780 13.0380 13.0380 13.2893 13.2893 k = 0.0000 0.0000 0.4038 ( 3684 PWs) bands (ev): -22.6965 -22.6965 -22.4828 -22.4828 -21.0583 -21.0583 -20.2191 -20.2191 -20.0834 -20.0834 -19.8685 -19.8685 -19.6797 -19.6797 -18.4795 -18.4795 -17.0628 -17.0628 -16.3834 -16.3834 -6.2727 -6.2727 -4.7583 -4.7583 -3.1516 -3.1516 -2.5286 -2.5286 -1.3459 -1.3459 -1.0092 -1.0092 -0.7225 -0.7225 -0.5929 -0.5929 -0.5663 -0.5663 -0.2821 -0.2821 -0.1411 -0.1411 0.0033 0.0033 0.0546 0.0546 0.1475 0.1475 0.4204 0.4204 4.1470 4.1470 10.0850 10.0850 11.4821 11.4821 13.0525 13.0525 13.2858 13.2858 k = 0.0000 0.0000 0.4200 ( 3682 PWs) bands (ev): -22.6962 -22.6962 -22.4826 -22.4826 -21.0548 -21.0548 -20.2186 -20.2186 -20.0827 -20.0827 -19.8752 -19.8752 -19.6800 -19.6800 -18.4795 -18.4795 -17.0623 -17.0623 -16.3825 -16.3825 -6.2732 -6.2732 -4.7598 -4.7598 -3.1544 -3.1544 -2.5165 -2.5165 -1.3514 -1.3514 -1.0087 -1.0087 -0.7213 -0.7213 -0.5954 -0.5954 -0.5691 -0.5691 -0.2888 -0.2888 -0.1447 -0.1447 0.0061 0.0061 0.0498 0.0498 0.1527 0.1527 0.4266 0.4266 4.1638 4.1638 10.0680 10.0680 11.4861 11.4861 13.0668 13.0668 13.2811 13.2811 k = 0.0000 0.0000 0.4361 ( 3670 PWs) bands (ev): -22.6959 -22.6959 -22.4825 -22.4825 -21.0516 -21.0516 -20.2182 -20.2182 -20.0820 -20.0820 -19.8814 -19.8814 -19.6803 -19.6803 -18.4794 -18.4794 -17.0618 -17.0618 -16.3817 -16.3817 -6.2737 -6.2737 -4.7611 -4.7611 -3.1570 -3.1570 -2.5055 -2.5055 -1.3561 -1.3561 -1.0082 -1.0082 -0.7206 -0.7206 -0.5975 -0.5975 -0.5715 -0.5715 -0.2945 -0.2945 -0.1479 -0.1479 0.0087 0.0087 0.0453 0.0453 0.1574 0.1574 0.4320 0.4320 4.1789 4.1789 10.0527 10.0527 11.4901 11.4901 13.0808 13.0808 13.2753 13.2753 k = 0.0000 0.0000 0.4523 ( 3674 PWs) bands (ev): -22.6957 -22.6957 -22.4824 -22.4824 -21.0487 -21.0487 -20.2178 -20.2178 -20.0813 -20.0813 -19.8870 -19.8870 -19.6805 -19.6805 -18.4794 -18.4794 -17.0613 -17.0613 -16.3810 -16.3810 -6.2741 -6.2741 -4.7623 -4.7623 -3.1593 -3.1593 -2.4959 -2.4959 -1.3601 -1.3601 -1.0076 -1.0076 -0.7202 -0.7202 -0.5994 -0.5994 -0.5737 -0.5737 -0.2994 -0.2994 -0.1507 -0.1507 0.0110 0.0110 0.0411 0.0411 0.1615 0.1615 0.4367 0.4367 4.1921 4.1921 10.0393 10.0393 11.4937 11.4937 13.0943 13.0943 13.2687 13.2687 k = 0.0000 0.0000 0.4684 ( 3670 PWs) bands (ev): -22.6954 -22.6954 -22.4823 -22.4823 -21.0462 -21.0462 -20.2174 -20.2174 -20.0807 -20.0807 -19.8919 -19.8919 -19.6807 -19.6807 -18.4794 -18.4794 -17.0610 -17.0610 -16.3804 -16.3804 -6.2744 -6.2744 -4.7634 -4.7634 -3.1614 -3.1614 -2.4876 -2.4876 -1.3633 -1.3633 -1.0070 -1.0070 -0.7200 -0.7200 -0.6009 -0.6009 -0.5756 -0.5756 -0.3035 -0.3035 -0.1529 -0.1529 0.0129 0.0129 0.0374 0.0374 0.1650 0.1650 0.4407 0.4407 4.2035 4.2035 10.0278 10.0278 11.4971 11.4971 13.1071 13.1071 13.2616 13.2616 k = 0.0000 0.0000 0.4846 ( 3660 PWs) bands (ev): -22.6952 -22.6952 -22.4822 -22.4822 -21.0441 -21.0441 -20.2171 -20.2171 -20.0801 -20.0801 -19.8960 -19.8960 -19.6808 -19.6808 -18.4793 -18.4793 -17.0607 -17.0607 -16.3798 -16.3798 -6.2746 -6.2746 -4.7642 -4.7642 -3.1631 -3.1631 -2.4807 -2.4807 -1.3658 -1.3658 -1.0065 -1.0065 -0.7199 -0.7199 -0.6022 -0.6022 -0.5772 -0.5772 -0.3068 -0.3068 -0.1548 -0.1548 0.0145 0.0145 0.0343 0.0343 0.1679 0.1679 0.4440 0.4440 4.2129 4.2129 10.0183 10.0183 11.4999 11.4999 13.1190 13.1190 13.2542 13.2542 k = 0.0000 0.0000 0.5007 ( 3660 PWs) bands (ev): -22.6951 -22.6951 -22.4821 -22.4821 -21.0425 -21.0425 -20.2169 -20.2169 -20.0796 -20.0796 -19.8993 -19.8993 -19.6809 -19.6809 -18.4793 -18.4793 -17.0604 -17.0604 -16.3794 -16.3794 -6.2748 -6.2748 -4.7649 -4.7649 -3.1645 -3.1645 -2.4754 -2.4754 -1.3677 -1.3677 -1.0061 -1.0061 -0.7200 -0.7200 -0.6032 -0.6032 -0.5784 -0.5784 -0.3092 -0.3092 -0.1562 -0.1562 0.0157 0.0157 0.0317 0.0317 0.1702 0.1702 0.4465 0.4465 4.2202 4.2202 10.0108 10.0108 11.5022 11.5022 13.1296 13.1296 13.2470 13.2470 k = 0.0000 0.0000 0.5169 ( 3670 PWs) bands (ev): -22.6950 -22.6950 -22.4821 -22.4821 -21.0413 -21.0413 -20.2167 -20.2167 -20.0793 -20.0793 -19.9017 -19.9017 -19.6810 -19.6810 -18.4793 -18.4793 -17.0603 -17.0603 -16.3791 -16.3791 -6.2750 -6.2750 -4.7654 -4.7654 -3.1655 -3.1655 -2.4715 -2.4715 -1.3690 -1.3690 -1.0057 -1.0057 -0.7201 -0.7201 -0.6039 -0.6039 -0.5794 -0.5794 -0.3110 -0.3110 -0.1572 -0.1572 0.0167 0.0167 0.0298 0.0298 0.1719 0.1719 0.4483 0.4483 4.2255 4.2255 10.0055 10.0055 11.5039 11.5039 13.1383 13.1383 13.2407 13.2407 k = 0.0000 0.0000 0.5330 ( 3672 PWs) bands (ev): -22.6949 -22.6949 -22.4821 -22.4821 -21.0406 -21.0406 -20.2166 -20.2166 -20.0791 -20.0791 -19.9032 -19.9032 -19.6811 -19.6811 -18.4793 -18.4793 -17.0602 -17.0602 -16.3790 -16.3790 -6.2750 -6.2750 -4.7657 -4.7657 -3.1661 -3.1661 -2.4692 -2.4692 -1.3698 -1.3698 -1.0055 -1.0055 -0.7201 -0.7201 -0.6043 -0.6043 -0.5799 -0.5799 -0.3120 -0.3120 -0.1578 -0.1578 0.0172 0.0172 0.0286 0.0286 0.1729 0.1729 0.4494 0.4494 4.2287 4.2287 10.0022 10.0022 11.5049 11.5049 13.1441 13.1441 13.2363 13.2363 k = 0.0000 0.0000 0.5492 ( 3668 PWs) bands (ev): -22.6949 -22.6949 -22.4820 -22.4820 -21.0404 -21.0404 -20.2166 -20.2166 -20.0790 -20.0790 -19.9037 -19.9037 -19.6811 -19.6811 -18.4793 -18.4793 -17.0601 -17.0601 -16.3789 -16.3789 -6.2751 -6.2751 -4.7658 -4.7658 -3.1663 -3.1663 -2.4684 -2.4684 -1.3701 -1.3701 -1.0055 -1.0055 -0.7201 -0.7201 -0.6044 -0.6044 -0.5801 -0.5801 -0.3124 -0.3124 -0.1580 -0.1580 0.0174 0.0174 0.0282 0.0282 0.1732 0.1732 0.4498 0.4498 4.2297 4.2297 10.0012 10.0012 11.5053 11.5053 13.1462 13.1462 13.2347 13.2347 k = 0.0000 0.0000 0.5492 ( 3668 PWs) bands (ev): -22.6949 -22.6949 -22.4820 -22.4820 -21.0404 -21.0404 -20.2166 -20.2166 -20.0790 -20.0790 -19.9037 -19.9037 -19.6811 -19.6811 -18.4793 -18.4793 -17.0601 -17.0601 -16.3789 -16.3789 -6.2751 -6.2751 -4.7658 -4.7658 -3.1663 -3.1663 -2.4684 -2.4684 -1.3701 -1.3701 -1.0055 -1.0055 -0.7201 -0.7201 -0.6044 -0.6044 -0.5801 -0.5801 -0.3124 -0.3124 -0.1580 -0.1580 0.0174 0.0174 0.0282 0.0282 0.1732 0.1732 0.4498 0.4498 4.2297 4.2297 10.0012 10.0012 11.5053 11.5053 13.1462 13.1462 13.2347 13.2347 k =-0.0147 0.0067 0.5492 ( 3672 PWs) bands (ev): -22.6949 -22.6949 -22.4821 -22.4821 -21.0402 -21.0402 -20.2166 -20.2166 -20.0790 -20.0790 -19.9036 -19.9036 -19.6814 -19.6814 -18.4793 -18.4793 -17.0601 -17.0601 -16.3789 -16.3789 -6.2753 -6.2753 -4.7659 -4.7659 -3.1654 -3.1654 -2.4685 -2.4685 -1.3700 -1.3700 -1.0067 -1.0067 -0.7189 -0.7189 -0.6102 -0.6102 -0.5742 -0.5742 -0.3127 -0.3127 -0.1601 -0.1601 0.0175 0.0175 0.0295 0.0295 0.1731 0.1731 0.4501 0.4501 4.2302 4.2302 10.0018 10.0018 11.5055 11.5055 13.1099 13.1099 13.2717 13.2717 k =-0.0294 0.0134 0.5492 ( 3668 PWs) bands (ev): -22.6948 -22.6948 -22.4820 -22.4820 -21.0397 -21.0397 -20.2165 -20.2165 -20.0790 -20.0790 -19.9035 -19.9035 -19.6823 -19.6823 -18.4793 -18.4793 -17.0601 -17.0601 -16.3789 -16.3789 -6.2759 -6.2759 -4.7662 -4.7662 -3.1627 -3.1627 -2.4686 -2.4686 -1.3697 -1.3697 -1.0104 -1.0104 -0.7154 -0.7154 -0.6210 -0.6210 -0.5629 -0.5629 -0.3137 -0.3137 -0.1661 -0.1661 0.0178 0.0178 0.0332 0.0332 0.1729 0.1729 0.4513 0.4513 4.2315 4.2315 10.0038 10.0038 11.5061 11.5061 13.0497 13.0497 13.3341 13.3341 k =-0.0441 0.0200 0.5492 ( 3672 PWs) bands (ev): -22.6947 -22.6947 -22.4820 -22.4820 -21.0389 -21.0389 -20.2164 -20.2164 -20.0791 -20.0791 -19.9033 -19.9033 -19.6839 -19.6839 -18.4793 -18.4793 -17.0600 -17.0600 -16.3789 -16.3789 -6.2770 -6.2770 -4.7666 -4.7666 -3.1582 -3.1582 -2.4688 -2.4688 -1.3693 -1.3693 -1.0162 -1.0162 -0.7098 -0.7098 -0.6325 -0.6325 -0.5503 -0.5503 -0.3155 -0.3155 -0.1754 -0.1754 0.0186 0.0186 0.0385 0.0385 0.1725 0.1725 0.4531 0.4531 4.2337 4.2337 10.0070 10.0070 11.5071 11.5071 12.9870 12.9870 13.4005 13.4005 k =-0.0588 0.0267 0.5492 ( 3680 PWs) bands (ev): -22.6946 -22.6946 -22.4820 -22.4820 -21.0378 -21.0378 -20.2164 -20.2164 -20.0792 -20.0792 -19.9030 -19.9030 -19.6860 -19.6860 -18.4793 -18.4793 -17.0598 -17.0598 -16.3789 -16.3789 -6.2785 -6.2785 -4.7673 -4.7673 -3.1519 -3.1519 -2.4692 -2.4692 -1.3687 -1.3687 -1.0239 -1.0239 -0.7030 -0.7030 -0.6437 -0.6437 -0.5373 -0.5373 -0.3181 -0.3181 -0.1874 -0.1874 0.0198 0.0198 0.0449 0.0449 0.1719 0.1719 0.4556 0.4556 4.2367 4.2367 10.0114 10.0114 11.5085 11.5085 12.9248 12.9248 13.4676 13.4676 k =-0.0735 0.0334 0.5492 ( 3686 PWs) bands (ev): -22.6945 -22.6945 -22.4820 -22.4820 -21.0363 -21.0363 -20.2163 -20.2163 -20.0792 -20.0792 -19.9026 -19.9026 -19.6887 -19.6887 -18.4793 -18.4793 -17.0597 -17.0597 -16.3789 -16.3789 -6.2803 -6.2803 -4.7681 -4.7681 -3.1439 -3.1439 -2.4695 -2.4695 -1.3680 -1.3680 -1.0332 -1.0332 -0.6961 -0.6961 -0.6532 -0.6532 -0.5243 -0.5243 -0.3216 -0.3216 -0.2012 -0.2012 0.0215 0.0215 0.0518 0.0518 0.1713 0.1713 0.4586 0.4586 4.2405 4.2405 10.0171 10.0171 11.5102 11.5102 12.8640 12.8640 13.5343 13.5343 k =-0.0882 0.0401 0.5492 ( 3686 PWs) bands (ev): -22.6943 -22.6943 -22.4820 -22.4820 -21.0345 -21.0345 -20.2161 -20.2161 -20.0793 -20.0793 -19.9021 -19.9021 -19.6920 -19.6920 -18.4792 -18.4792 -17.0594 -17.0594 -16.3789 -16.3789 -6.2825 -6.2825 -4.7691 -4.7691 -3.1343 -3.1343 -2.4700 -2.4700 -1.3670 -1.3670 -1.0437 -1.0437 -0.6925 -0.6925 -0.6580 -0.6580 -0.5112 -0.5112 -0.3262 -0.3262 -0.2161 -0.2161 0.0237 0.0237 0.0588 0.0588 0.1704 0.1704 0.4622 0.4622 4.2450 4.2450 10.0238 10.0238 11.5123 11.5123 12.8052 12.8052 13.6000 13.6000 k =-0.1029 0.0468 0.5492 ( 3690 PWs) bands (ev): -22.6940 -22.6940 -22.4820 -22.4820 -21.0325 -21.0325 -20.2160 -20.2160 -20.0794 -20.0794 -19.9016 -19.9016 -19.6958 -19.6958 -18.4792 -18.4792 -17.0592 -17.0592 -16.3788 -16.3788 -6.2851 -6.2851 -4.7703 -4.7703 -3.1233 -3.1233 -2.4705 -2.4705 -1.3659 -1.3659 -1.0550 -1.0550 -0.6958 -0.6958 -0.6546 -0.6546 -0.4983 -0.4983 -0.3321 -0.3321 -0.2314 -0.2314 0.0262 0.0262 0.0657 0.0657 0.1695 0.1695 0.4662 0.4662 4.2503 4.2503 10.0316 10.0316 11.5147 11.5147 12.7485 12.7485 13.6639 13.6639 k =-0.1176 0.0535 0.5492 ( 3688 PWs) bands (ev): -22.6938 -22.6938 -22.4819 -22.4819 -21.0301 -21.0301 -20.2158 -20.2158 -20.0795 -20.0795 -19.9011 -19.9011 -19.7002 -19.7002 -18.4792 -18.4792 -17.0589 -17.0589 -16.3788 -16.3788 -6.2879 -6.2879 -4.7716 -4.7716 -3.1108 -3.1108 -2.4710 -2.4710 -1.3645 -1.3645 -1.0669 -1.0669 -0.7041 -0.7041 -0.6453 -0.6453 -0.4856 -0.4856 -0.3398 -0.3398 -0.2463 -0.2463 0.0292 0.0292 0.0721 0.0721 0.1684 0.1684 0.4705 0.4705 4.2562 4.2562 10.0404 10.0404 11.5175 11.5175 12.6944 12.6944 13.7252 13.7252 k =-0.1324 0.0601 0.5492 ( 3676 PWs) bands (ev): -22.6934 -22.6934 -22.4819 -22.4819 -21.0275 -21.0275 -20.2155 -20.2155 -20.0795 -20.0795 -19.9005 -19.9005 -19.7050 -19.7050 -18.4791 -18.4791 -17.0585 -17.0585 -16.3787 -16.3787 -6.2910 -6.2910 -4.7731 -4.7731 -3.0971 -3.0971 -2.4715 -2.4715 -1.3630 -1.3630 -1.0792 -1.0792 -0.7142 -0.7142 -0.6336 -0.6336 -0.4731 -0.4731 -0.3494 -0.3494 -0.2600 -0.2600 0.0325 0.0325 0.0780 0.0780 0.1671 0.1671 0.4750 0.4750 4.2627 4.2627 10.0500 10.0500 11.5206 11.5206 12.6430 12.6430 13.7833 13.7833 k =-0.1471 0.0668 0.5492 ( 3680 PWs) bands (ev): -22.6931 -22.6931 -22.4818 -22.4818 -21.0246 -21.0246 -20.2152 -20.2152 -20.0796 -20.0796 -19.8999 -19.8999 -19.7102 -19.7102 -18.4790 -18.4790 -17.0582 -17.0582 -16.3787 -16.3787 -6.2944 -6.2944 -4.7747 -4.7747 -3.0824 -3.0824 -2.4720 -2.4720 -1.3612 -1.3612 -1.0916 -1.0916 -0.7247 -0.7247 -0.6210 -0.6210 -0.4609 -0.4609 -0.3612 -0.3612 -0.2721 -0.2721 0.0361 0.0361 0.0833 0.0833 0.1658 0.1658 0.4797 0.4797 4.2697 4.2697 10.0603 10.0603 11.5240 11.5240 12.5946 12.5946 13.8370 13.8370 k =-0.1618 0.0735 0.5492 ( 3684 PWs) bands (ev): -22.6928 -22.6928 -22.4818 -22.4818 -21.0215 -21.0215 -20.2150 -20.2150 -20.0797 -20.0797 -19.8993 -19.8993 -19.7158 -19.7158 -18.4790 -18.4790 -17.0579 -17.0579 -16.3786 -16.3786 -6.2979 -6.2979 -4.7765 -4.7765 -3.0667 -3.0667 -2.4724 -2.4724 -1.3591 -1.3591 -1.1040 -1.1040 -0.7352 -0.7352 -0.6083 -0.6083 -0.4492 -0.4492 -0.3749 -0.3749 -0.2824 -0.2824 0.0400 0.0400 0.0878 0.0878 0.1644 0.1644 0.4844 0.4844 4.2772 4.2772 10.0711 10.0711 11.5277 11.5277 12.5494 12.5494 13.8853 13.8853 k =-0.1765 0.0802 0.5492 ( 3686 PWs) bands (ev): -22.6924 -22.6924 -22.4818 -22.4818 -21.0182 -21.0182 -20.2147 -20.2147 -20.0798 -20.0798 -19.8986 -19.8986 -19.7218 -19.7218 -18.4790 -18.4790 -17.0575 -17.0575 -16.3785 -16.3785 -6.3016 -6.3016 -4.7783 -4.7783 -3.0503 -3.0503 -2.4728 -2.4728 -1.3568 -1.3568 -1.1163 -1.1163 -0.7455 -0.7455 -0.5958 -0.5958 -0.4381 -0.4381 -0.3897 -0.3897 -0.2910 -0.2910 0.0441 0.0441 0.0916 0.0916 0.1629 0.1629 0.4891 0.4891 4.2850 4.2850 10.0824 10.0824 11.5317 11.5317 12.5075 12.5075 13.9267 13.9267 k =-0.1912 0.0869 0.5492 ( 3688 PWs) bands (ev): -22.6920 -22.6920 -22.4817 -22.4817 -21.0147 -21.0147 -20.2143 -20.2143 -20.0798 -20.0798 -19.8981 -19.8981 -19.7281 -19.7281 -18.4789 -18.4789 -17.0571 -17.0571 -16.3785 -16.3785 -6.3055 -6.3055 -4.7803 -4.7803 -3.0333 -3.0333 -2.4730 -2.4730 -1.3543 -1.3543 -1.1282 -1.1282 -0.7555 -0.7555 -0.5842 -0.5842 -0.4290 -0.4290 -0.4037 -0.4037 -0.2983 -0.2983 0.0485 0.0485 0.0947 0.0947 0.1613 0.1613 0.4938 0.4938 4.2931 4.2931 10.0940 10.0940 11.5361 11.5361 12.4691 12.4691 13.9598 13.9598 k =-0.2059 0.0936 0.5492 ( 3688 PWs) bands (ev): -22.6916 -22.6916 -22.4817 -22.4817 -21.0110 -21.0110 -20.2139 -20.2139 -20.0799 -20.0799 -19.8976 -19.8976 -19.7346 -19.7346 -18.4788 -18.4788 -17.0566 -17.0566 -16.3784 -16.3784 -6.3094 -6.3094 -4.7823 -4.7823 -3.0160 -3.0160 -2.4730 -2.4730 -1.3514 -1.3514 -1.1398 -1.1398 -0.7653 -0.7653 -0.5741 -0.5741 -0.4292 -0.4292 -0.4084 -0.4084 -0.3045 -0.3045 0.0530 0.0530 0.0970 0.0970 0.1596 0.1596 0.4983 0.4983 4.3014 4.3014 10.1056 10.1056 11.5409 11.5409 12.4343 12.4343 13.9830 13.9830 k =-0.2206 0.1002 0.5492 ( 3686 PWs) bands (ev): -22.6913 -22.6913 -22.4816 -22.4816 -21.0071 -21.0071 -20.2135 -20.2135 -20.0799 -20.0799 -19.8971 -19.8971 -19.7413 -19.7413 -18.4788 -18.4788 -17.0562 -17.0562 -16.3783 -16.3783 -6.3133 -6.3133 -4.7844 -4.7844 -2.9985 -2.9985 -2.4728 -2.4728 -1.3483 -1.3483 -1.1509 -1.1509 -0.7746 -0.7746 -0.5667 -0.5667 -0.4399 -0.4399 -0.4012 -0.4012 -0.3099 -0.3099 0.0577 0.0577 0.0987 0.0987 0.1579 0.1579 0.5026 0.5026 4.3098 4.3098 10.1173 10.1173 11.5461 11.5461 12.4031 12.4031 13.9947 13.9947 k =-0.2353 0.1069 0.5492 ( 3690 PWs) bands (ev): -22.6909 -22.6909 -22.4816 -22.4816 -21.0032 -21.0032 -20.2131 -20.2131 -20.0798 -20.0798 -19.8968 -19.8968 -19.7480 -19.7480 -18.4787 -18.4787 -17.0558 -17.0558 -16.3782 -16.3782 -6.3173 -6.3173 -4.7865 -4.7865 -2.9811 -2.9811 -2.4723 -2.4723 -1.3449 -1.3449 -1.1615 -1.1615 -0.7835 -0.7835 -0.5634 -0.5634 -0.4495 -0.4495 -0.3920 -0.3920 -0.3146 -0.3146 0.0624 0.0624 0.0996 0.0996 0.1562 0.1562 0.5067 0.5067 4.3182 4.3182 10.1286 10.1286 11.5518 11.5518 12.3756 12.3756 13.9939 13.9939 k =-0.2500 0.1136 0.5492 ( 3690 PWs) bands (ev): -22.6905 -22.6905 -22.4815 -22.4815 -20.9992 -20.9992 -20.2126 -20.2126 -20.0798 -20.0798 -19.8966 -19.8966 -19.7548 -19.7548 -18.4787 -18.4787 -17.0553 -17.0553 -16.3781 -16.3781 -6.3212 -6.3212 -4.7887 -4.7887 -2.9640 -2.9640 -2.4715 -2.4715 -1.3411 -1.3411 -1.1714 -1.1714 -0.7921 -0.7921 -0.5657 -0.5657 -0.4545 -0.4545 -0.3829 -0.3829 -0.3189 -0.3189 0.0671 0.0671 0.1000 0.1000 0.1545 0.1545 0.5107 0.5107 4.3267 4.3267 10.1397 10.1397 11.5582 11.5582 12.3519 12.3519 13.9802 13.9802 k =-0.2647 0.1203 0.5492 ( 3688 PWs) bands (ev): -22.6901 -22.6901 -22.4815 -22.4815 -20.9951 -20.9951 -20.2121 -20.2121 -20.0797 -20.0797 -19.8965 -19.8965 -19.7616 -19.7616 -18.4786 -18.4786 -17.0549 -17.0549 -16.3780 -16.3780 -6.3251 -6.3251 -4.7909 -4.7909 -2.9474 -2.9474 -2.4703 -2.4703 -1.3371 -1.3371 -1.1806 -1.1806 -0.8002 -0.8002 -0.5738 -0.5738 -0.4543 -0.4543 -0.3741 -0.3741 -0.3227 -0.3227 0.0717 0.0717 0.0998 0.0998 0.1527 0.1527 0.5143 0.5143 4.3350 4.3350 10.1502 10.1502 11.5651 11.5651 12.3317 12.3317 13.9547 13.9547 k =-0.2794 0.1270 0.5492 ( 3690 PWs) bands (ev): -22.6897 -22.6897 -22.4814 -22.4814 -20.9909 -20.9909 -20.2116 -20.2116 -20.0796 -20.0796 -19.8966 -19.8966 -19.7682 -19.7682 -18.4786 -18.4786 -17.0544 -17.0544 -16.3779 -16.3779 -6.3289 -6.3289 -4.7930 -4.7930 -2.9315 -2.9315 -2.4687 -2.4687 -1.3328 -1.3328 -1.1891 -1.1891 -0.8078 -0.8078 -0.5863 -0.5863 -0.4498 -0.4498 -0.3660 -0.3660 -0.3260 -0.3260 0.0761 0.0761 0.0993 0.0993 0.1510 0.1510 0.5178 0.5178 4.3431 4.3431 10.1600 10.1600 11.5728 11.5728 12.3151 12.3151 13.9192 13.9192 k =-0.2941 0.1336 0.5492 ( 3684 PWs) bands (ev): -22.6893 -22.6893 -22.4814 -22.4814 -20.9868 -20.9868 -20.2111 -20.2111 -20.0794 -20.0794 -19.8969 -19.8969 -19.7746 -19.7746 -18.4785 -18.4785 -17.0540 -17.0540 -16.3778 -16.3778 -6.3325 -6.3325 -4.7952 -4.7952 -2.9163 -2.9163 -2.4666 -2.4666 -1.3282 -1.3282 -1.1969 -1.1969 -0.8150 -0.8150 -0.6017 -0.6017 -0.4428 -0.4428 -0.3588 -0.3588 -0.3285 -0.3285 0.0799 0.0799 0.0987 0.0987 0.1493 0.1493 0.5210 0.5210 4.3509 4.3509 10.1691 10.1691 11.5811 11.5811 12.3019 12.3019 13.8758 13.8758 k =-0.3088 0.1403 0.5492 ( 3680 PWs) bands (ev): -22.6889 -22.6889 -22.4813 -22.4813 -20.9828 -20.9828 -20.2106 -20.2106 -20.0792 -20.0792 -19.8975 -19.8975 -19.7808 -19.7808 -18.4785 -18.4785 -17.0535 -17.0535 -16.3777 -16.3777 -6.3360 -6.3360 -4.7972 -4.7972 -2.9022 -2.9022 -2.4641 -2.4641 -1.3234 -1.3234 -1.2038 -1.2038 -0.8217 -0.8217 -0.6185 -0.6185 -0.4345 -0.4345 -0.3529 -0.3529 -0.3300 -0.3300 0.0827 0.0827 0.0984 0.0984 0.1477 0.1477 0.5239 0.5239 4.3585 4.3585 10.1773 10.1773 11.5902 11.5902 12.2920 12.2920 13.8269 13.8269 k =-0.3235 0.1470 0.5492 ( 3684 PWs) bands (ev): -22.6885 -22.6885 -22.4813 -22.4813 -20.9788 -20.9788 -20.2100 -20.2100 -20.0790 -20.0790 -19.8983 -19.8983 -19.7865 -19.7865 -18.4784 -18.4784 -17.0531 -17.0531 -16.3776 -16.3776 -6.3394 -6.3394 -4.7993 -4.7993 -2.8892 -2.8892 -2.4612 -2.4612 -1.3185 -1.3185 -1.2099 -1.2099 -0.8279 -0.8279 -0.6359 -0.6359 -0.4256 -0.4256 -0.3491 -0.3491 -0.3296 -0.3296 0.0839 0.0839 0.0992 0.0992 0.1462 0.1462 0.5266 0.5266 4.3657 4.3657 10.1847 10.1847 11.6000 11.6000 12.2852 12.2852 13.7745 13.7745 k =-0.3382 0.1537 0.5492 ( 3686 PWs) bands (ev): -22.6882 -22.6882 -22.4812 -22.4812 -20.9750 -20.9750 -20.2095 -20.2095 -20.0788 -20.0788 -19.8993 -19.8993 -19.7919 -19.7919 -18.4784 -18.4784 -17.0527 -17.0527 -16.3774 -16.3774 -6.3425 -6.3425 -4.8012 -4.8012 -2.8773 -2.8773 -2.4580 -2.4580 -1.3136 -1.3136 -1.2151 -1.2151 -0.8337 -0.8337 -0.6533 -0.6533 -0.4168 -0.4168 -0.3479 -0.3479 -0.3269 -0.3269 0.0834 0.0834 0.1011 0.1011 0.1448 0.1448 0.5291 0.5291 4.3725 4.3725 10.1912 10.1912 11.6103 11.6103 12.2813 12.2813 13.7203 13.7203 k =-0.3529 0.1604 0.5492 ( 3686 PWs) bands (ev): -22.6879 -22.6879 -22.4812 -22.4812 -20.9714 -20.9714 -20.2089 -20.2089 -20.0785 -20.0785 -19.9005 -19.9005 -19.7968 -19.7968 -18.4784 -18.4784 -17.0524 -17.0524 -16.3774 -16.3774 -6.3454 -6.3454 -4.8030 -4.8030 -2.8667 -2.8667 -2.4544 -2.4544 -1.3087 -1.3087 -1.2194 -1.2194 -0.8389 -0.8389 -0.6704 -0.6704 -0.4082 -0.4082 -0.3483 -0.3483 -0.3228 -0.3228 0.0817 0.0817 0.1037 0.1037 0.1436 0.1436 0.5313 0.5313 4.3788 4.3788 10.1967 10.1967 11.6210 11.6210 12.2799 12.2799 13.6657 13.6657 k =-0.3676 0.1671 0.5492 ( 3698 PWs) bands (ev): -22.6876 -22.6876 -22.4812 -22.4812 -20.9679 -20.9679 -20.2084 -20.2084 -20.0782 -20.0782 -19.9020 -19.9020 -19.8012 -19.8012 -18.4784 -18.4784 -17.0521 -17.0521 -16.3773 -16.3773 -6.3481 -6.3481 -4.8047 -4.8047 -2.8574 -2.8574 -2.4506 -2.4506 -1.3040 -1.3040 -1.2228 -1.2228 -0.8437 -0.8437 -0.6869 -0.6869 -0.4001 -0.4001 -0.3494 -0.3494 -0.3182 -0.3182 0.0793 0.0793 0.1065 0.1065 0.1426 0.1426 0.5333 0.5333 4.3846 4.3846 10.2014 10.2014 11.6319 11.6319 12.2810 12.2810 13.6118 13.6118 k =-0.3824 0.1737 0.5492 ( 3694 PWs) bands (ev): -22.6873 -22.6873 -22.4812 -22.4812 -20.9647 -20.9647 -20.2079 -20.2079 -20.0779 -20.0779 -19.9036 -19.9036 -19.8050 -19.8050 -18.4783 -18.4783 -17.0518 -17.0518 -16.3772 -16.3772 -6.3506 -6.3506 -4.8063 -4.8063 -2.8493 -2.8493 -2.4467 -2.4467 -1.2996 -1.2996 -1.2252 -1.2252 -0.8480 -0.8480 -0.7025 -0.7025 -0.3927 -0.3927 -0.3506 -0.3506 -0.3137 -0.3137 0.0767 0.0767 0.1090 0.1090 0.1419 0.1419 0.5351 0.5351 4.3899 4.3899 10.2053 10.2053 11.6428 11.6428 12.2840 12.2840 13.5598 13.5598 k =-0.3971 0.1804 0.5492 ( 3694 PWs) bands (ev): -22.6871 -22.6871 -22.4811 -22.4811 -20.9618 -20.9618 -20.2074 -20.2074 -20.0776 -20.0776 -19.9053 -19.9053 -19.8083 -19.8083 -18.4783 -18.4783 -17.0515 -17.0515 -16.3771 -16.3771 -6.3528 -6.3528 -4.8077 -4.8077 -2.8424 -2.8424 -2.4429 -2.4429 -1.2957 -1.2957 -1.2266 -1.2266 -0.8518 -0.8518 -0.7169 -0.7169 -0.3862 -0.3862 -0.3516 -0.3516 -0.3096 -0.3096 0.0739 0.0739 0.1112 0.1112 0.1415 0.1415 0.5367 0.5367 4.3946 4.3946 10.2084 10.2084 11.6534 11.6534 12.2886 12.2886 13.5107 13.5107 k =-0.4118 0.1871 0.5492 ( 3690 PWs) bands (ev): -22.6869 -22.6869 -22.4811 -22.4811 -20.9592 -20.9592 -20.2070 -20.2070 -20.0772 -20.0772 -19.9070 -19.9070 -19.8111 -19.8111 -18.4782 -18.4782 -17.0512 -17.0512 -16.3770 -16.3770 -6.3547 -6.3547 -4.8090 -4.8090 -2.8366 -2.8366 -2.4392 -2.4392 -1.2925 -1.2925 -1.2272 -1.2272 -0.8550 -0.8550 -0.7300 -0.7300 -0.3806 -0.3806 -0.3524 -0.3524 -0.3059 -0.3059 0.0713 0.0713 0.1129 0.1129 0.1413 0.1413 0.5381 0.5381 4.3988 4.3988 10.2109 10.2109 11.6633 11.6633 12.2944 12.2944 13.4654 13.4654 k =-0.4265 0.1938 0.5492 ( 3688 PWs) bands (ev): -22.6867 -22.6867 -22.4811 -22.4811 -20.9569 -20.9569 -20.2066 -20.2066 -20.0769 -20.0769 -19.9086 -19.9086 -19.8134 -19.8134 -18.4782 -18.4782 -17.0510 -17.0510 -16.3770 -16.3770 -6.3563 -6.3563 -4.8101 -4.8101 -2.8319 -2.8319 -2.4358 -2.4358 -1.2899 -1.2899 -1.2270 -1.2270 -0.8578 -0.8578 -0.7416 -0.7416 -0.3761 -0.3761 -0.3527 -0.3527 -0.3027 -0.3027 0.0689 0.0689 0.1142 0.1142 0.1414 0.1414 0.5393 0.5393 4.4023 4.4023 10.2128 10.2128 11.6723 11.6723 12.3008 12.3008 13.4248 13.4248 k =-0.4412 0.2005 0.5492 ( 3692 PWs) bands (ev): -22.6865 -22.6865 -22.4810 -22.4810 -20.9551 -20.9551 -20.2063 -20.2063 -20.0767 -20.0767 -19.9101 -19.9101 -19.8152 -19.8152 -18.4782 -18.4782 -17.0508 -17.0508 -16.3769 -16.3769 -6.3577 -6.3577 -4.8110 -4.8110 -2.8282 -2.8282 -2.4329 -2.4329 -1.2880 -1.2880 -1.2263 -1.2263 -0.8600 -0.8600 -0.7515 -0.7515 -0.3728 -0.3728 -0.3526 -0.3526 -0.3001 -0.3001 0.0668 0.0668 0.1151 0.1151 0.1416 0.1416 0.5402 0.5402 4.4052 4.4052 10.2143 10.2143 11.6801 11.6801 12.3073 12.3073 13.3900 13.3900 k =-0.4559 0.2071 0.5492 ( 3688 PWs) bands (ev): -22.6864 -22.6864 -22.4810 -22.4810 -20.9536 -20.9536 -20.2060 -20.2060 -20.0765 -20.0765 -19.9113 -19.9113 -19.8166 -19.8166 -18.4782 -18.4782 -17.0507 -17.0507 -16.3769 -16.3769 -6.3587 -6.3587 -4.8117 -4.8117 -2.8254 -2.8254 -2.4304 -2.4304 -1.2866 -1.2866 -1.2254 -1.2254 -0.8618 -0.8618 -0.7594 -0.7594 -0.3706 -0.3706 -0.3521 -0.3521 -0.2980 -0.2980 0.0650 0.0650 0.1158 0.1158 0.1419 0.1419 0.5410 0.5410 4.4075 4.4075 10.2153 10.2153 11.6865 11.6865 12.3132 12.3132 13.3617 13.3617 k =-0.4706 0.2138 0.5492 ( 3688 PWs) bands (ev): -22.6863 -22.6863 -22.4810 -22.4810 -20.9525 -20.9525 -20.2058 -20.2058 -20.0763 -20.0763 -19.9123 -19.9123 -19.8175 -19.8175 -18.4782 -18.4782 -17.0506 -17.0506 -16.3769 -16.3769 -6.3595 -6.3595 -4.8122 -4.8122 -2.8234 -2.8234 -2.4286 -2.4286 -1.2857 -1.2857 -1.2245 -1.2245 -0.8630 -0.8630 -0.7651 -0.7651 -0.3694 -0.3694 -0.3514 -0.3514 -0.2965 -0.2965 0.0637 0.0637 0.1161 0.1161 0.1422 0.1422 0.5415 0.5415 4.4091 4.4091 10.2160 10.2160 11.6912 11.6912 12.3180 12.3180 13.3408 13.3408 k =-0.4853 0.2205 0.5492 ( 3676 PWs) bands (ev): -22.6863 -22.6863 -22.4810 -22.4810 -20.9518 -20.9518 -20.2056 -20.2056 -20.0762 -20.0762 -19.9129 -19.9129 -19.8181 -19.8181 -18.4781 -18.4781 -17.0505 -17.0505 -16.3768 -16.3768 -6.3599 -6.3599 -4.8125 -4.8125 -2.8223 -2.8223 -2.4275 -2.4275 -1.2852 -1.2852 -1.2238 -1.2238 -0.8638 -0.8638 -0.7687 -0.7687 -0.3687 -0.3687 -0.3509 -0.3509 -0.2956 -0.2956 0.0629 0.0629 0.1163 0.1163 0.1424 0.1424 0.5418 0.5418 4.4101 4.4101 10.2163 10.2163 11.6940 11.6940 12.3210 12.3210 13.3280 13.3280 k =-0.5000 0.2272 0.5492 ( 3676 PWs) bands (ev): -22.6863 -22.6863 -22.4810 -22.4810 -20.9516 -20.9516 -20.2056 -20.2056 -20.0761 -20.0761 -19.9131 -19.9131 -19.8182 -19.8182 -18.4781 -18.4781 -17.0504 -17.0504 -16.3768 -16.3768 -6.3601 -6.3601 -4.8126 -4.8126 -2.8219 -2.8219 -2.4271 -2.4271 -1.2851 -1.2851 -1.2236 -1.2236 -0.8640 -0.8640 -0.7698 -0.7698 -0.3685 -0.3685 -0.3507 -0.3507 -0.2953 -0.2953 0.0627 0.0627 0.1164 0.1164 0.1425 0.1425 0.5419 0.5419 4.4104 4.4104 10.2165 10.2165 11.6950 11.6950 12.3221 12.3221 13.3237 13.3237 k =-0.5000 0.2272 0.5492 ( 3676 PWs) bands (ev): -22.6863 -22.6863 -22.4810 -22.4810 -20.9516 -20.9516 -20.2056 -20.2056 -20.0761 -20.0761 -19.9131 -19.9131 -19.8182 -19.8182 -18.4781 -18.4781 -17.0504 -17.0504 -16.3768 -16.3768 -6.3601 -6.3601 -4.8126 -4.8126 -2.8219 -2.8219 -2.4271 -2.4271 -1.2851 -1.2851 -1.2236 -1.2236 -0.8640 -0.8640 -0.7698 -0.7698 -0.3685 -0.3685 -0.3507 -0.3507 -0.2953 -0.2953 0.0627 0.0627 0.1164 0.1164 0.1425 0.1425 0.5419 0.5419 4.4104 4.4104 10.2165 10.2165 11.6950 11.6950 12.3221 12.3221 13.3237 13.3237 k =-0.4896 0.2225 0.5378 ( 3684 PWs) bands (ev): -22.6863 -22.6863 -22.4810 -22.4810 -20.9518 -20.9518 -20.2057 -20.2057 -20.0762 -20.0762 -19.9129 -19.9129 -19.8181 -19.8181 -18.4782 -18.4782 -17.0505 -17.0505 -16.3768 -16.3768 -6.3599 -6.3599 -4.8125 -4.8125 -2.8223 -2.8223 -2.4275 -2.4275 -1.2852 -1.2852 -1.2238 -1.2238 -0.8638 -0.8638 -0.7687 -0.7687 -0.3687 -0.3687 -0.3509 -0.3509 -0.2956 -0.2956 0.0629 0.0629 0.1163 0.1163 0.1424 0.1424 0.5418 0.5418 4.4101 4.4101 10.2163 10.2163 11.6940 11.6940 12.3210 12.3210 13.3281 13.3281 k =-0.4792 0.2177 0.5263 ( 3690 PWs) bands (ev): -22.6863 -22.6863 -22.4810 -22.4810 -20.9525 -20.9525 -20.2058 -20.2058 -20.0763 -20.0763 -19.9123 -19.9123 -19.8175 -19.8175 -18.4782 -18.4782 -17.0506 -17.0506 -16.3769 -16.3769 -6.3595 -6.3595 -4.8122 -4.8122 -2.8234 -2.8234 -2.4287 -2.4287 -1.2857 -1.2857 -1.2245 -1.2245 -0.8630 -0.8630 -0.7651 -0.7651 -0.3693 -0.3693 -0.3514 -0.3514 -0.2965 -0.2965 0.0637 0.0637 0.1161 0.1161 0.1422 0.1422 0.5415 0.5415 4.4091 4.4091 10.2160 10.2160 11.6911 11.6911 12.3179 12.3179 13.3409 13.3409 k =-0.4688 0.2130 0.5149 ( 3694 PWs) bands (ev): -22.6864 -22.6864 -22.4810 -22.4810 -20.9536 -20.9536 -20.2060 -20.2060 -20.0765 -20.0765 -19.9113 -19.9113 -19.8166 -19.8166 -18.4782 -18.4782 -17.0507 -17.0507 -16.3769 -16.3769 -6.3587 -6.3587 -4.8117 -4.8117 -2.8253 -2.8253 -2.4305 -2.4305 -1.2864 -1.2864 -1.2256 -1.2256 -0.8618 -0.8618 -0.7593 -0.7593 -0.3706 -0.3706 -0.3521 -0.3521 -0.2980 -0.2980 0.0650 0.0650 0.1158 0.1158 0.1418 0.1418 0.5409 0.5409 4.4074 4.4074 10.2154 10.2154 11.6864 11.6864 12.3131 12.3131 13.3620 13.3620 k =-0.4583 0.2083 0.5034 ( 3690 PWs) bands (ev): -22.6865 -22.6865 -22.4810 -22.4810 -20.9551 -20.9551 -20.2063 -20.2063 -20.0767 -20.0767 -19.9099 -19.9099 -19.8153 -19.8153 -18.4782 -18.4782 -17.0508 -17.0508 -16.3769 -16.3769 -6.3577 -6.3577 -4.8110 -4.8110 -2.8280 -2.8280 -2.4331 -2.4331 -1.2873 -1.2873 -1.2271 -1.2271 -0.8600 -0.8600 -0.7514 -0.7514 -0.3726 -0.3726 -0.3527 -0.3527 -0.3000 -0.3000 0.0668 0.0668 0.1152 0.1152 0.1414 0.1414 0.5402 0.5402 4.4051 4.4051 10.2145 10.2145 11.6799 11.6799 12.3069 12.3069 13.3908 13.3908 k =-0.4479 0.2035 0.4920 ( 3692 PWs) bands (ev): -22.6867 -22.6867 -22.4811 -22.4811 -20.9571 -20.9571 -20.2066 -20.2066 -20.0770 -20.0770 -19.9081 -19.9081 -19.8137 -19.8137 -18.4782 -18.4782 -17.0510 -17.0510 -16.3770 -16.3770 -6.3563 -6.3563 -4.8101 -4.8101 -2.8314 -2.8314 -2.4365 -2.4365 -1.2884 -1.2884 -1.2288 -1.2288 -0.8578 -0.8578 -0.7414 -0.7414 -0.3757 -0.3757 -0.3530 -0.3530 -0.3026 -0.3026 0.0690 0.0690 0.1144 0.1144 0.1410 0.1410 0.5392 0.5392 4.4020 4.4020 10.2134 10.2134 11.6718 11.6718 12.2998 12.2998 13.4266 13.4266 k =-0.4375 0.1988 0.4805 ( 3690 PWs) bands (ev): -22.6869 -22.6869 -22.4811 -22.4811 -20.9594 -20.9594 -20.2070 -20.2070 -20.0774 -20.0774 -19.9060 -19.9060 -19.8117 -19.8117 -18.4782 -18.4782 -17.0512 -17.0512 -16.3771 -16.3771 -6.3547 -6.3547 -4.8089 -4.8089 -2.8355 -2.8355 -2.4405 -2.4405 -1.2895 -1.2895 -1.2307 -1.2307 -0.8550 -0.8550 -0.7297 -0.7297 -0.3798 -0.3798 -0.3528 -0.3528 -0.3057 -0.3057 0.0716 0.0716 0.1133 0.1133 0.1406 0.1406 0.5379 0.5379 4.3982 4.3982 10.2122 10.2122 11.6623 11.6623 12.2925 12.2925 13.4688 13.4688 k =-0.4271 0.1941 0.4691 ( 3690 PWs) bands (ev): -22.6871 -22.6871 -22.4811 -22.4811 -20.9621 -20.9621 -20.2075 -20.2075 -20.0778 -20.0778 -19.9035 -19.9035 -19.8093 -19.8093 -18.4783 -18.4783 -17.0515 -17.0515 -16.3772 -16.3772 -6.3528 -6.3528 -4.8076 -4.8076 -2.8404 -2.8404 -2.4453 -2.4453 -1.2907 -1.2907 -1.2325 -1.2325 -0.8517 -0.8517 -0.7164 -0.7164 -0.3849 -0.3849 -0.3521 -0.3521 -0.3092 -0.3092 0.0745 0.0745 0.1119 0.1119 0.1402 0.1402 0.5364 0.5364 4.3936 4.3936 10.2108 10.2108 11.6516 11.6516 12.2853 12.2853 13.5167 13.5167 k =-0.4167 0.1893 0.4577 ( 3686 PWs) bands (ev): -22.6873 -22.6873 -22.4812 -22.4812 -20.9653 -20.9653 -20.2080 -20.2080 -20.0782 -20.0782 -19.9006 -19.9006 -19.8067 -19.8067 -18.4783 -18.4783 -17.0518 -17.0518 -16.3773 -16.3773 -6.3507 -6.3507 -4.8061 -4.8061 -2.8460 -2.8460 -2.4507 -2.4507 -1.2918 -1.2918 -1.2342 -1.2342 -0.8480 -0.8480 -0.7018 -0.7018 -0.3909 -0.3909 -0.3511 -0.3511 -0.3131 -0.3131 0.0775 0.0775 0.1101 0.1101 0.1399 0.1399 0.5346 0.5346 4.3882 4.3882 10.2092 10.2092 11.6399 11.6399 12.2786 12.2786 13.5697 13.5697 k =-0.4062 0.1846 0.4462 ( 3682 PWs) bands (ev): -22.6876 -22.6876 -22.4812 -22.4812 -20.9688 -20.9688 -20.2086 -20.2086 -20.0787 -20.0787 -19.8975 -19.8975 -19.8037 -19.8037 -18.4783 -18.4783 -17.0521 -17.0521 -16.3774 -16.3774 -6.3483 -6.3483 -4.8045 -4.8045 -2.8522 -2.8522 -2.4568 -2.4568 -1.2928 -1.2928 -1.2356 -1.2356 -0.8437 -0.8437 -0.6861 -0.6861 -0.3975 -0.3975 -0.3497 -0.3497 -0.3172 -0.3172 0.0806 0.0806 0.1080 0.1080 0.1396 0.1396 0.5324 0.5324 4.3819 4.3819 10.2076 10.2076 11.6275 11.6275 12.2729 12.2729 13.6271 13.6271 k =-0.3958 0.1799 0.4348 ( 3680 PWs) bands (ev): -22.6879 -22.6879 -22.4812 -22.4812 -20.9726 -20.9726 -20.2092 -20.2092 -20.0792 -20.0792 -19.8941 -19.8941 -19.8004 -19.8004 -18.4783 -18.4783 -17.0525 -17.0525 -16.3776 -16.3776 -6.3457 -6.3457 -4.8026 -4.8026 -2.8590 -2.8590 -2.4636 -2.4636 -1.2938 -1.2938 -1.2365 -1.2365 -0.8389 -0.8389 -0.6695 -0.6695 -0.4047 -0.4047 -0.3482 -0.3482 -0.3214 -0.3214 0.0835 0.0835 0.1059 0.1059 0.1394 0.1394 0.5299 0.5299 4.3747 4.3747 10.2059 10.2059 11.6147 11.6147 12.2683 12.2683 13.6885 13.6885 k =-0.3854 0.1751 0.4233 ( 3676 PWs) bands (ev): -22.6883 -22.6883 -22.4813 -22.4813 -20.9767 -20.9767 -20.2099 -20.2099 -20.0797 -20.0797 -19.8903 -19.8903 -19.7968 -19.7968 -18.4784 -18.4784 -17.0529 -17.0529 -16.3778 -16.3778 -6.3428 -6.3428 -4.8006 -4.8006 -2.8665 -2.8665 -2.4709 -2.4709 -1.2948 -1.2948 -1.2367 -1.2367 -0.8337 -0.8337 -0.6524 -0.6524 -0.4123 -0.4123 -0.3469 -0.3469 -0.3253 -0.3253 0.0857 0.0857 0.1040 0.1040 0.1393 0.1393 0.5271 0.5271 4.3665 4.3665 10.2043 10.2043 11.6017 11.6017 12.2651 12.2651 13.7534 13.7534 k =-0.3750 0.1704 0.4119 ( 3680 PWs) bands (ev): -22.6887 -22.6887 -22.4814 -22.4814 -20.9812 -20.9812 -20.2106 -20.2106 -20.0802 -20.0802 -19.8864 -19.8864 -19.7930 -19.7930 -18.4784 -18.4784 -17.0534 -17.0534 -16.3781 -16.3781 -6.3398 -6.3398 -4.7985 -4.7985 -2.8746 -2.8746 -2.4789 -2.4789 -1.2958 -1.2958 -1.2361 -1.2361 -0.8279 -0.8279 -0.6350 -0.6350 -0.4201 -0.4201 -0.3466 -0.3466 -0.3281 -0.3281 0.0865 0.0865 0.1032 0.1032 0.1391 0.1391 0.5239 0.5239 4.3573 4.3573 10.2028 10.2028 11.5887 11.5887 12.2635 12.2635 13.8213 13.8213 k =-0.3646 0.1657 0.4005 ( 3680 PWs) bands (ev): -22.6891 -22.6891 -22.4814 -22.4814 -20.9860 -20.9860 -20.2113 -20.2113 -20.0808 -20.0808 -19.8822 -19.8822 -19.7889 -19.7889 -18.4785 -18.4785 -17.0539 -17.0539 -16.3784 -16.3784 -6.3366 -6.3366 -4.7962 -4.7962 -2.8832 -2.8832 -2.4873 -2.4873 -1.2967 -1.2967 -1.2345 -1.2345 -0.8217 -0.8217 -0.6177 -0.6177 -0.4276 -0.4276 -0.3481 -0.3481 -0.3287 -0.3287 0.0852 0.0852 0.1041 0.1041 0.1388 0.1388 0.5202 0.5202 4.3471 4.3471 10.2015 10.2015 11.5759 11.5759 12.2634 12.2634 13.8918 13.8918 k =-0.3542 0.1609 0.3890 ( 3680 PWs) bands (ev): -22.6895 -22.6895 -22.4815 -22.4815 -20.9909 -20.9909 -20.2120 -20.2120 -20.0813 -20.0813 -19.8778 -19.8778 -19.7845 -19.7845 -18.4785 -18.4785 -17.0544 -17.0544 -16.3788 -16.3788 -6.3333 -6.3333 -4.7938 -4.7938 -2.8923 -2.8923 -2.4963 -2.4963 -1.2977 -1.2977 -1.2319 -1.2319 -0.8151 -0.8151 -0.6010 -0.6010 -0.4345 -0.4345 -0.3518 -0.3518 -0.3269 -0.3269 0.0821 0.0821 0.1062 0.1062 0.1385 0.1385 0.5161 0.5161 4.3358 4.3358 10.2005 10.2005 11.5635 11.5635 12.2652 12.2652 13.9646 13.9646 k =-0.3438 0.1562 0.3776 ( 3672 PWs) bands (ev): -22.6899 -22.6899 -22.4816 -22.4816 -20.9962 -20.9962 -20.2128 -20.2128 -20.0819 -20.0819 -19.8732 -19.8732 -19.7800 -19.7800 -18.4786 -18.4786 -17.0550 -17.0550 -16.3792 -16.3792 -6.3299 -6.3299 -4.7913 -4.7913 -2.9018 -2.9018 -2.5058 -2.5058 -1.2986 -1.2986 -1.2281 -1.2281 -0.8079 -0.8079 -0.5857 -0.5857 -0.4402 -0.4402 -0.3567 -0.3567 -0.3235 -0.3235 0.0780 0.0780 0.1090 0.1090 0.1381 0.1381 0.5115 0.5115 4.3233 4.3233 10.1999 10.1999 11.5515 11.5515 12.2687 12.2687 14.0391 14.0391 k =-0.3333 0.1515 0.3661 ( 3678 PWs) bands (ev): -22.6905 -22.6905 -22.4817 -22.4817 -21.0016 -21.0016 -20.2135 -20.2135 -20.0825 -20.0825 -19.8684 -19.8684 -19.7752 -19.7752 -18.4786 -18.4786 -17.0556 -17.0556 -16.3797 -16.3797 -6.3263 -6.3263 -4.7886 -4.7886 -2.9117 -2.9117 -2.5157 -2.5157 -1.2993 -1.2993 -1.2233 -1.2233 -0.8003 -0.8003 -0.5729 -0.5729 -0.4436 -0.4436 -0.3623 -0.3623 -0.3189 -0.3189 0.0731 0.0731 0.1118 0.1118 0.1374 0.1374 0.5065 0.5065 4.3096 4.3096 10.1998 10.1998 11.5402 11.5402 12.2741 12.2741 14.1145 14.1145 k =-0.3229 0.1467 0.3547 ( 3682 PWs) bands (ev): -22.6910 -22.6910 -22.4818 -22.4818 -21.0072 -21.0072 -20.2143 -20.2143 -20.0830 -20.0830 -19.8635 -19.8635 -19.7703 -19.7703 -18.4787 -18.4787 -17.0563 -17.0563 -16.3802 -16.3802 -6.3227 -6.3227 -4.7859 -4.7859 -2.9219 -2.9219 -2.5261 -2.5261 -1.2999 -1.2999 -1.2173 -1.2173 -0.7923 -0.7923 -0.5639 -0.5639 -0.4435 -0.4435 -0.3682 -0.3682 -0.3134 -0.3134 0.0678 0.0678 0.1146 0.1146 0.1367 0.1367 0.5009 0.5009 4.2948 4.2948 10.2003 10.2003 11.5296 11.5296 12.2813 12.2813 14.1895 14.1895 k =-0.3125 0.1420 0.3432 ( 3686 PWs) bands (ev): -22.6915 -22.6915 -22.4820 -22.4820 -21.0130 -21.0130 -20.2150 -20.2150 -20.0836 -20.0836 -19.8584 -19.8584 -19.7652 -19.7652 -18.4788 -18.4788 -17.0570 -17.0570 -16.3808 -16.3808 -6.3190 -6.3190 -4.7831 -4.7831 -2.9324 -2.9324 -2.5368 -2.5368 -1.3002 -1.3002 -1.2104 -1.2104 -0.7839 -0.7839 -0.5596 -0.5596 -0.4389 -0.4389 -0.3742 -0.3742 -0.3071 -0.3071 0.0621 0.0621 0.1170 0.1170 0.1359 0.1359 0.4947 0.4947 4.2787 4.2787 10.2016 10.2016 11.5197 11.5197 12.2905 12.2905 14.2599 14.2599 k =-0.3021 0.1373 0.3318 ( 3690 PWs) bands (ev): -22.6921 -22.6921 -22.4821 -22.4821 -21.0189 -21.0189 -20.2157 -20.2157 -20.0841 -20.0841 -19.8533 -19.8533 -19.7600 -19.7600 -18.4789 -18.4789 -17.0577 -17.0577 -16.3815 -16.3815 -6.3152 -6.3152 -4.7803 -4.7803 -2.9432 -2.9432 -2.5478 -2.5478 -1.3001 -1.3001 -1.2026 -1.2026 -0.7750 -0.7750 -0.5602 -0.5602 -0.4299 -0.4299 -0.3802 -0.3802 -0.3000 -0.3000 0.0562 0.0562 0.1189 0.1189 0.1351 0.1351 0.4880 0.4880 4.2614 4.2614 10.2038 10.2038 11.5106 11.5106 12.3016 12.3016 14.3122 14.3122 k =-0.2917 0.1325 0.3204 ( 3684 PWs) bands (ev): -22.6927 -22.6927 -22.4822 -22.4822 -21.0249 -21.0249 -20.2165 -20.2165 -20.0846 -20.0846 -19.8480 -19.8480 -19.7547 -19.7547 -18.4789 -18.4789 -17.0584 -17.0584 -16.3821 -16.3821 -6.3115 -6.3115 -4.7773 -4.7773 -2.9541 -2.9541 -2.5591 -2.5591 -1.2995 -1.2995 -1.1939 -1.1939 -0.7658 -0.7658 -0.5649 -0.5649 -0.4177 -0.4177 -0.3857 -0.3857 -0.2920 -0.2920 0.0500 0.0500 0.1201 0.1201 0.1345 0.1345 0.4807 0.4807 4.2429 4.2429 10.2068 10.2068 11.5022 11.5022 12.3146 12.3146 14.3217 14.3217 k =-0.2812 0.1278 0.3089 ( 3680 PWs) bands (ev): -22.6932 -22.6932 -22.4824 -22.4824 -21.0309 -21.0309 -20.2171 -20.2171 -20.0851 -20.0851 -19.8426 -19.8426 -19.7493 -19.7493 -18.4790 -18.4790 -17.0592 -17.0592 -16.3829 -16.3829 -6.3077 -6.3077 -4.7744 -4.7744 -2.9651 -2.9651 -2.5706 -2.5706 -1.2984 -1.2984 -1.1846 -1.1846 -0.7561 -0.7561 -0.5725 -0.5725 -0.4058 -0.4058 -0.3885 -0.3885 -0.2831 -0.2831 0.0436 0.0436 0.1202 0.1202 0.1343 0.1343 0.4728 0.4728 4.2232 4.2232 10.2110 10.2110 11.4946 11.4946 12.3294 12.3294 14.2951 14.2951 k =-0.2708 0.1231 0.2975 ( 3676 PWs) bands (ev): -22.6938 -22.6938 -22.4825 -22.4825 -21.0370 -21.0370 -20.2178 -20.2178 -20.0855 -20.0855 -19.8372 -19.8372 -19.7438 -19.7438 -18.4790 -18.4790 -17.0600 -17.0600 -16.3837 -16.3837 -6.3040 -6.3040 -4.7714 -4.7714 -2.9762 -2.9762 -2.5823 -2.5823 -1.2965 -1.2965 -1.1747 -1.1747 -0.7462 -0.7462 -0.5820 -0.5820 -0.4039 -0.4039 -0.3797 -0.3797 -0.2733 -0.2733 0.0370 0.0370 0.1191 0.1191 0.1345 0.1345 0.4643 0.4643 4.2024 4.2024 10.2162 10.2162 11.4878 11.4878 12.3461 12.3461 14.2528 14.2528 k =-0.2604 0.1183 0.2860 ( 3682 PWs) bands (ev): -22.6945 -22.6945 -22.4827 -22.4827 -21.0431 -21.0431 -20.2185 -20.2185 -20.0860 -20.0860 -19.8318 -19.8318 -19.7383 -19.7383 -18.4792 -18.4792 -17.0608 -17.0608 -16.3845 -16.3845 -6.3003 -6.3003 -4.7684 -4.7684 -2.9873 -2.9873 -2.5942 -2.5942 -1.2940 -1.2940 -1.1643 -1.1643 -0.7360 -0.7360 -0.5928 -0.5928 -0.4086 -0.4086 -0.3635 -0.3635 -0.2626 -0.2626 0.0304 0.0304 0.1171 0.1171 0.1349 0.1349 0.4552 0.4552 4.1804 4.1804 10.2227 10.2227 11.4817 11.4817 12.3645 12.3645 14.2028 14.2028 k =-0.2500 0.1136 0.2746 ( 3676 PWs) bands (ev): -22.6950 -22.6950 -22.4829 -22.4829 -21.0492 -21.0492 -20.2191 -20.2191 -20.0864 -20.0864 -19.8264 -19.8264 -19.7328 -19.7328 -18.4792 -18.4792 -17.0617 -17.0617 -16.3854 -16.3854 -6.2966 -6.2966 -4.7654 -4.7654 -2.9983 -2.9983 -2.6061 -2.6061 -1.2906 -1.2906 -1.1536 -1.1536 -0.7255 -0.7255 -0.6044 -0.6044 -0.4142 -0.4142 -0.3458 -0.3458 -0.2509 -0.2509 0.0236 0.0236 0.1143 0.1143 0.1354 0.1354 0.4455 0.4455 4.1574 4.1574 10.2304 10.2304 11.4764 11.4764 12.3846 12.3846 14.1479 14.1479 k =-0.2396 0.1089 0.2632 ( 3688 PWs) bands (ev): -22.6957 -22.6957 -22.4831 -22.4831 -21.0552 -21.0552 -20.2198 -20.2198 -20.0869 -20.0869 -19.8210 -19.8210 -19.7273 -19.7273 -18.4793 -18.4793 -17.0625 -17.0625 -16.3865 -16.3865 -6.2931 -6.2931 -4.7624 -4.7624 -3.0093 -3.0093 -2.6181 -2.6181 -1.2865 -1.2865 -1.1427 -1.1427 -0.7150 -0.7150 -0.6166 -0.6166 -0.4200 -0.4200 -0.3277 -0.3277 -0.2382 -0.2382 0.0167 0.0167 0.1109 0.1109 0.1357 0.1357 0.4352 0.4352 4.1333 4.1333 10.2394 10.2394 11.4719 11.4719 12.4063 12.4063 14.0896 14.0896 k =-0.2292 0.1041 0.2517 ( 3692 PWs) bands (ev): -22.6963 -22.6963 -22.4833 -22.4833 -21.0612 -21.0612 -20.2204 -20.2204 -20.0873 -20.0873 -19.8156 -19.8156 -19.7218 -19.7218 -18.4794 -18.4794 -17.0634 -17.0634 -16.3875 -16.3875 -6.2896 -6.2896 -4.7594 -4.7594 -3.0201 -3.0201 -2.6300 -2.6300 -1.2814 -1.2814 -1.1316 -1.1316 -0.7045 -0.7045 -0.6289 -0.6289 -0.4258 -0.4258 -0.3096 -0.3096 -0.2245 -0.2245 0.0099 0.0099 0.1070 0.1070 0.1357 0.1357 0.4243 0.4243 4.1084 4.1084 10.2497 10.2497 11.4681 11.4681 12.4294 12.4294 14.0287 14.0287 k =-0.2188 0.0994 0.2403 ( 3680 PWs) bands (ev): -22.6969 -22.6969 -22.4835 -22.4835 -21.0671 -21.0671 -20.2209 -20.2209 -20.0877 -20.0877 -19.8102 -19.8102 -19.7163 -19.7163 -18.4795 -18.4795 -17.0643 -17.0643 -16.3885 -16.3885 -6.2863 -6.2863 -4.7565 -4.7565 -3.0307 -3.0307 -2.6417 -2.6417 -1.2755 -1.2755 -1.1205 -1.1205 -0.6946 -0.6946 -0.6407 -0.6407 -0.4315 -0.4315 -0.2917 -0.2917 -0.2098 -0.2098 0.0030 0.0030 0.1027 0.1027 0.1355 0.1355 0.4128 0.4128 4.0828 4.0828 10.2612 10.2612 11.4650 11.4650 12.4538 12.4538 13.9661 13.9661 k =-0.2083 0.0947 0.2288 ( 3674 PWs) bands (ev): -22.6975 -22.6975 -22.4837 -22.4837 -21.0729 -21.0729 -20.2215 -20.2215 -20.0880 -20.0880 -19.8050 -19.8050 -19.7109 -19.7109 -18.4796 -18.4796 -17.0651 -17.0651 -16.3895 -16.3895 -6.2830 -6.2830 -4.7536 -4.7536 -3.0411 -3.0411 -2.6534 -2.6534 -1.2687 -1.2687 -1.1095 -1.1095 -0.6871 -0.6871 -0.6504 -0.6504 -0.4370 -0.4370 -0.2739 -0.2739 -0.1944 -0.1944 -0.0039 -0.0039 0.0980 0.0980 0.1350 0.1350 0.4007 0.4007 4.0564 4.0564 10.2739 10.2739 11.4628 11.4628 12.4792 12.4792 13.9024 13.9024 k =-0.1979 0.0899 0.2174 ( 3670 PWs) bands (ev): -22.6982 -22.6982 -22.4839 -22.4839 -21.0786 -21.0786 -20.2220 -20.2220 -20.0884 -20.0884 -19.7998 -19.7998 -19.7056 -19.7056 -18.4796 -18.4796 -17.0660 -17.0660 -16.3906 -16.3906 -6.2799 -6.2799 -4.7508 -4.7508 -3.0512 -3.0512 -2.6649 -2.6649 -1.2609 -1.2609 -1.0987 -1.0987 -0.6866 -0.6866 -0.6531 -0.6531 -0.4423 -0.4423 -0.2563 -0.2563 -0.1782 -0.1782 -0.0107 -0.0107 0.0930 0.0930 0.1340 0.1340 0.3882 0.3882 4.0296 4.0296 10.2878 10.2878 11.4613 11.4613 12.5054 12.5054 13.8381 13.8381 k =-0.1875 0.0852 0.2059 ( 3668 PWs) bands (ev): -22.6987 -22.6987 -22.4841 -22.4841 -21.0840 -21.0840 -20.2224 -20.2224 -20.0887 -20.0887 -19.7947 -19.7947 -19.7005 -19.7005 -18.4797 -18.4797 -17.0669 -17.0669 -16.3917 -16.3917 -6.2769 -6.2769 -4.7480 -4.7480 -3.0611 -3.0611 -2.6761 -2.6761 -1.2523 -1.2523 -1.0881 -1.0881 -0.6949 -0.6949 -0.6470 -0.6470 -0.4473 -0.4473 -0.2389 -0.2389 -0.1615 -0.1615 -0.0175 -0.0175 0.0877 0.0877 0.1328 0.1328 0.3751 0.3751 4.0024 4.0024 10.3027 10.3027 11.4607 11.4607 12.5323 12.5323 13.7737 13.7737 k =-0.1771 0.0805 0.1945 ( 3666 PWs) bands (ev): -22.6993 -22.6993 -22.4843 -22.4843 -21.0894 -21.0894 -20.2229 -20.2229 -20.0890 -20.0890 -19.7898 -19.7898 -19.6954 -19.6954 -18.4798 -18.4798 -17.0678 -17.0678 -16.3929 -16.3929 -6.2741 -6.2741 -4.7454 -4.7454 -3.0707 -3.0707 -2.6870 -2.6870 -1.2427 -1.2427 -1.0778 -1.0778 -0.7072 -0.7072 -0.6371 -0.6371 -0.4522 -0.4522 -0.2215 -0.2215 -0.1445 -0.1445 -0.0242 -0.0242 0.0822 0.0822 0.1312 0.1312 0.3615 0.3615 3.9750 3.9750 10.3185 10.3185 11.4609 11.4609 12.5594 12.5594 13.7096 13.7096 k =-0.1667 0.0757 0.1831 ( 3656 PWs) bands (ev): -22.6999 -22.6999 -22.4845 -22.4845 -21.0945 -21.0945 -20.2233 -20.2233 -20.0892 -20.0892 -19.7851 -19.7851 -19.6906 -19.6906 -18.4798 -18.4798 -17.0686 -17.0686 -16.3940 -16.3940 -6.2714 -6.2714 -4.7428 -4.7428 -3.0798 -3.0798 -2.6975 -2.6975 -1.2323 -1.2323 -1.0679 -1.0679 -0.7208 -0.7208 -0.6260 -0.6260 -0.4568 -0.4568 -0.2043 -0.2043 -0.1273 -0.1273 -0.0307 -0.0307 0.0765 0.0765 0.1294 0.1294 0.3475 0.3475 3.9476 3.9476 10.3351 10.3351 11.4621 11.4621 12.5865 12.5865 13.6465 13.6465 k =-0.1562 0.0710 0.1716 ( 3660 PWs) bands (ev): -22.7004 -22.7004 -22.4847 -22.4847 -21.0994 -21.0994 -20.2237 -20.2237 -20.0895 -20.0895 -19.7805 -19.7805 -19.6859 -19.6859 -18.4799 -18.4799 -17.0695 -17.0695 -16.3952 -16.3952 -6.2689 -6.2689 -4.7403 -4.7403 -3.0887 -3.0887 -2.7077 -2.7077 -1.2210 -1.2210 -1.0585 -1.0585 -0.7352 -0.7352 -0.6145 -0.6145 -0.4612 -0.4612 -0.1870 -0.1870 -0.1102 -0.1102 -0.0371 -0.0371 0.0707 0.0707 0.1272 0.1272 0.3330 0.3330 3.9204 3.9204 10.3523 10.3523 11.4641 11.4641 12.6133 12.6133 13.5847 13.5847 k =-0.1458 0.0663 0.1602 ( 3660 PWs) bands (ev): -22.7010 -22.7010 -22.4849 -22.4849 -21.1040 -21.1040 -20.2240 -20.2240 -20.0898 -20.0898 -19.7761 -19.7761 -19.6814 -19.6814 -18.4800 -18.4800 -17.0703 -17.0703 -16.3963 -16.3963 -6.2666 -6.2666 -4.7380 -4.7380 -3.0970 -3.0970 -2.7174 -2.7174 -1.2090 -1.2090 -1.0496 -1.0496 -0.7499 -0.7499 -0.6028 -0.6028 -0.4653 -0.4653 -0.1698 -0.1698 -0.0935 -0.0935 -0.0431 -0.0431 0.0649 0.0649 0.1248 0.1248 0.3182 0.3182 3.8936 3.8936 10.3698 10.3698 11.4671 11.4671 12.6392 12.6392 13.5248 13.5248 k =-0.1354 0.0615 0.1487 ( 3654 PWs) bands (ev): -22.7015 -22.7015 -22.4851 -22.4851 -21.1085 -21.1085 -20.2243 -20.2243 -20.0900 -20.0900 -19.7719 -19.7719 -19.6771 -19.6771 -18.4800 -18.4800 -17.0711 -17.0711 -16.3974 -16.3974 -6.2644 -6.2644 -4.7357 -4.7357 -3.1050 -3.1050 -2.7266 -2.7266 -1.1961 -1.1961 -1.0411 -1.0411 -0.7649 -0.7649 -0.5912 -0.5912 -0.4691 -0.4691 -0.1525 -0.1525 -0.0778 -0.0778 -0.0482 -0.0482 0.0592 0.0592 0.1222 0.1222 0.3030 0.3030 3.8673 3.8673 10.3876 10.3876 11.4710 11.4710 12.6640 12.6640 13.4672 13.4672 k =-0.1250 0.0568 0.1373 ( 3670 PWs) bands (ev): -22.7020 -22.7020 -22.4853 -22.4853 -21.1126 -21.1126 -20.2247 -20.2247 -20.0903 -20.0903 -19.7680 -19.7680 -19.6730 -19.6730 -18.4802 -18.4802 -17.0719 -17.0719 -16.3985 -16.3985 -6.2624 -6.2624 -4.7337 -4.7337 -3.1125 -3.1125 -2.7352 -2.7352 -1.1827 -1.1827 -1.0333 -1.0333 -0.7801 -0.7801 -0.5799 -0.5799 -0.4726 -0.4726 -0.1353 -0.1353 -0.0662 -0.0662 -0.0496 -0.0496 0.0536 0.0536 0.1194 0.1194 0.2876 0.2876 3.8418 3.8418 10.4053 10.4053 11.4759 11.4759 12.6870 12.6870 13.4127 13.4127 k =-0.1146 0.0521 0.1259 ( 3674 PWs) bands (ev): -22.7025 -22.7025 -22.4855 -22.4855 -21.1165 -21.1165 -20.2250 -20.2250 -20.0905 -20.0905 -19.7643 -19.7643 -19.6692 -19.6692 -18.4802 -18.4802 -17.0726 -17.0726 -16.3995 -16.3995 -6.2605 -6.2605 -4.7317 -4.7317 -3.1195 -3.1195 -2.7433 -2.7433 -1.1685 -1.1685 -1.0260 -1.0260 -0.7956 -0.7956 -0.5688 -0.5688 -0.4758 -0.4758 -0.1181 -0.1181 -0.0657 -0.0657 -0.0404 -0.0404 0.0483 0.0483 0.1166 0.1166 0.2718 0.2718 3.8174 3.8174 10.4227 10.4227 11.4815 11.4815 12.7077 12.7077 13.3618 13.3618 k =-0.1042 0.0473 0.1144 ( 3676 PWs) bands (ev): -22.7029 -22.7029 -22.4856 -22.4856 -21.1201 -21.1201 -20.2252 -20.2252 -20.0906 -20.0906 -19.7609 -19.7609 -19.6657 -19.6657 -18.4803 -18.4803 -17.0733 -17.0733 -16.4005 -16.4005 -6.2588 -6.2588 -4.7299 -4.7299 -3.1259 -3.1259 -2.7508 -2.7508 -1.1538 -1.1538 -1.0193 -1.0193 -0.8112 -0.8112 -0.5582 -0.5582 -0.4787 -0.4787 -0.1013 -0.1013 -0.0696 -0.0696 -0.0272 -0.0272 0.0436 0.0436 0.1137 0.1137 0.2559 0.2559 3.7942 3.7942 10.4396 10.4396 11.4880 11.4880 12.7255 12.7255 13.3152 13.3152 k =-0.0938 0.0426 0.1030 ( 3676 PWs) bands (ev): -22.7033 -22.7033 -22.4858 -22.4858 -21.1234 -21.1234 -20.2255 -20.2255 -20.0908 -20.0908 -19.7578 -19.7578 -19.6625 -19.6625 -18.4804 -18.4804 -17.0739 -17.0739 -16.4014 -16.4014 -6.2573 -6.2573 -4.7283 -4.7283 -3.1318 -3.1318 -2.7577 -2.7577 -1.1386 -1.1386 -1.0132 -1.0132 -0.8270 -0.8270 -0.5482 -0.5482 -0.4811 -0.4811 -0.0860 -0.0860 -0.0728 -0.0728 -0.0145 -0.0145 0.0397 0.0397 0.1108 0.1108 0.2398 0.2398 3.7724 3.7724 10.4557 10.4557 11.4951 11.4951 12.7400 12.7400 13.2737 13.2737 k =-0.0833 0.0379 0.0915 ( 3678 PWs) bands (ev): -22.7037 -22.7037 -22.4860 -22.4860 -21.1263 -21.1263 -20.2257 -20.2257 -20.0909 -20.0909 -19.7549 -19.7549 -19.6595 -19.6595 -18.4804 -18.4804 -17.0745 -17.0745 -16.4022 -16.4022 -6.2560 -6.2560 -4.7268 -4.7268 -3.1372 -3.1372 -2.7639 -2.7639 -1.1230 -1.1230 -1.0077 -1.0077 -0.8429 -0.8429 -0.5389 -0.5389 -0.4832 -0.4832 -0.0822 -0.0822 -0.0647 -0.0647 -0.0034 -0.0034 0.0371 0.0371 0.1080 0.1080 0.2236 0.2236 3.7523 3.7523 10.4708 10.4708 11.5027 11.5027 12.7505 12.7505 13.2378 13.2378 k =-0.0729 0.0331 0.0801 ( 3680 PWs) bands (ev): -22.7040 -22.7040 -22.4861 -22.4861 -21.1290 -21.1290 -20.2259 -20.2259 -20.0911 -20.0911 -19.7524 -19.7524 -19.6569 -19.6569 -18.4805 -18.4805 -17.0750 -17.0750 -16.4030 -16.4030 -6.2548 -6.2548 -4.7254 -4.7254 -3.1420 -3.1420 -2.7694 -2.7694 -1.1071 -1.1071 -1.0028 -1.0028 -0.8590 -0.8590 -0.5306 -0.5306 -0.4848 -0.4848 -0.0858 -0.0858 -0.0494 -0.0494 0.0053 0.0053 0.0369 0.0369 0.1053 0.1053 0.2073 0.2073 3.7340 3.7340 10.4847 10.4847 11.5104 11.5104 12.7569 12.7569 13.2081 13.2081 k =-0.0625 0.0284 0.0686 ( 3676 PWs) bands (ev): -22.7043 -22.7043 -22.4862 -22.4862 -21.1312 -21.1312 -20.2260 -20.2260 -20.0912 -20.0912 -19.7502 -19.7502 -19.6546 -19.6546 -18.4805 -18.4805 -17.0754 -17.0754 -16.4036 -16.4036 -6.2537 -6.2537 -4.7243 -4.7243 -3.1462 -3.1462 -2.7742 -2.7742 -1.0911 -1.0911 -0.9984 -0.9984 -0.8752 -0.8752 -0.5233 -0.5233 -0.4858 -0.4858 -0.0898 -0.0898 -0.0345 -0.0345 0.0111 0.0111 0.0396 0.0396 0.1028 0.1028 0.1910 0.1910 3.7178 3.7178 10.4971 10.4971 11.5182 11.5182 12.7593 12.7593 13.1847 13.1847 k =-0.0521 0.0237 0.0572 ( 3672 PWs) bands (ev): -22.7045 -22.7045 -22.4863 -22.4863 -21.1332 -21.1332 -20.2261 -20.2261 -20.0913 -20.0913 -19.7483 -19.7483 -19.6526 -19.6526 -18.4805 -18.4805 -17.0758 -17.0758 -16.4042 -16.4042 -6.2529 -6.2529 -4.7233 -4.7233 -3.1497 -3.1497 -2.7783 -2.7783 -1.0750 -1.0750 -0.9945 -0.9945 -0.8914 -0.8914 -0.5174 -0.5174 -0.4862 -0.4862 -0.0935 -0.0935 -0.0215 -0.0215 0.0157 0.0157 0.0446 0.0446 0.1006 0.1006 0.1748 0.1748 3.7037 3.7037 10.5080 10.5080 11.5256 11.5256 12.7583 12.7583 13.1672 13.1672 k =-0.0417 0.0189 0.0458 ( 3672 PWs) bands (ev): -22.7047 -22.7047 -22.4864 -22.4864 -21.1348 -21.1348 -20.2262 -20.2262 -20.0913 -20.0913 -19.7467 -19.7467 -19.6510 -19.6510 -18.4806 -18.4806 -17.0761 -17.0761 -16.4047 -16.4047 -6.2522 -6.2522 -4.7224 -4.7224 -3.1527 -3.1527 -2.7817 -2.7817 -1.0593 -1.0593 -0.9909 -0.9909 -0.9076 -0.9076 -0.5130 -0.5130 -0.4859 -0.4859 -0.0967 -0.0967 -0.0124 -0.0124 0.0222 0.0222 0.0504 0.0504 0.0987 0.0987 0.1587 0.1587 3.6920 3.6920 10.5170 10.5170 11.5323 11.5323 12.7549 12.7549 13.1549 13.1549 k =-0.0312 0.0142 0.0343 ( 3674 PWs) bands (ev): -22.7048 -22.7048 -22.4865 -22.4865 -21.1361 -21.1361 -20.2263 -20.2263 -20.0914 -20.0914 -19.7455 -19.7455 -19.6497 -19.6497 -18.4806 -18.4806 -17.0764 -17.0764 -16.4051 -16.4051 -6.2516 -6.2516 -4.7218 -4.7218 -3.1550 -3.1550 -2.7843 -2.7843 -1.0443 -1.0443 -0.9874 -0.9874 -0.9236 -0.9236 -0.5100 -0.5100 -0.4851 -0.4851 -0.0993 -0.0993 -0.0079 -0.0079 0.0320 0.0320 0.0559 0.0559 0.0971 0.0971 0.1431 0.1431 3.6827 3.6827 10.5242 10.5242 11.5379 11.5379 12.7504 12.7504 13.1467 13.1467 k =-0.0208 0.0095 0.0229 ( 3678 PWs) bands (ev): -22.7050 -22.7050 -22.4865 -22.4865 -21.1370 -21.1370 -20.2264 -20.2264 -20.0914 -20.0914 -19.7446 -19.7446 -19.6488 -19.6488 -18.4806 -18.4806 -17.0766 -17.0766 -16.4054 -16.4054 -6.2512 -6.2512 -4.7214 -4.7214 -3.1566 -3.1566 -2.7862 -2.7862 -1.0311 -1.0311 -0.9833 -0.9833 -0.9391 -0.9391 -0.5082 -0.5082 -0.4841 -0.4841 -0.1012 -0.1012 -0.0063 -0.0063 0.0430 0.0430 0.0610 0.0610 0.0958 0.0958 0.1286 0.1286 3.6761 3.6761 10.5294 10.5294 11.5422 11.5422 12.7461 12.7461 13.1418 13.1418 k =-0.0104 0.0047 0.0114 ( 3682 PWs) bands (ev): -22.7051 -22.7051 -22.4866 -22.4866 -21.1375 -21.1375 -20.2264 -20.2264 -20.0915 -20.0915 -19.7441 -19.7441 -19.6482 -19.6482 -18.4806 -18.4806 -17.0767 -17.0767 -16.4056 -16.4056 -6.2510 -6.2510 -4.7211 -4.7211 -3.1576 -3.1576 -2.7874 -2.7874 -1.0216 -1.0216 -0.9774 -0.9774 -0.9534 -0.9534 -0.5072 -0.5072 -0.4833 -0.4833 -0.1023 -0.1023 -0.0058 -0.0058 0.0511 0.0511 0.0664 0.0664 0.0948 0.0948 0.1167 0.1167 3.6720 3.6720 10.5326 10.5326 11.5449 11.5449 12.7431 12.7431 13.1392 13.1392 k = 0.0000 0.0000 0.0000 ( 3685 PWs) bands (ev): -22.7051 -22.7051 -22.4866 -22.4866 -21.1377 -21.1377 -20.2264 -20.2264 -20.0915 -20.0915 -19.7439 -19.7439 -19.6481 -19.6481 -18.4807 -18.4807 -17.0768 -17.0768 -16.4056 -16.4056 -6.2509 -6.2509 -4.7210 -4.7210 -3.1580 -3.1580 -2.7878 -2.7878 -1.0181 -1.0181 -0.9713 -0.9713 -0.9626 -0.9626 -0.5070 -0.5070 -0.4830 -0.4830 -0.1027 -0.1027 -0.0057 -0.0057 0.0539 0.0539 0.0697 0.0697 0.0942 0.0942 0.1117 0.1117 3.6707 3.6707 10.5337 10.5337 11.5458 11.5458 12.7420 12.7420 13.1384 13.1384 k = 0.0000 0.0000 0.0000 ( 3685 PWs) bands (ev): -22.7051 -22.7051 -22.4866 -22.4866 -21.1377 -21.1377 -20.2264 -20.2264 -20.0915 -20.0915 -19.7439 -19.7439 -19.6481 -19.6481 -18.4807 -18.4807 -17.0768 -17.0768 -16.4056 -16.4056 -6.2509 -6.2509 -4.7210 -4.7210 -3.1580 -3.1580 -2.7878 -2.7878 -1.0181 -1.0181 -0.9713 -0.9713 -0.9626 -0.9626 -0.5070 -0.5070 -0.4830 -0.4830 -0.1027 -0.1027 -0.0057 -0.0057 0.0539 0.0539 0.0697 0.0697 0.0942 0.0942 0.1117 0.1117 3.6707 3.6707 10.5337 10.5337 11.5458 11.5458 12.7420 12.7420 13.1384 13.1384 k = 0.0067 0.0147-0.0000 ( 3685 PWs) bands (ev): -22.7051 -22.7051 -22.4861 -22.4861 -21.1372 -21.1372 -20.2265 -20.2265 -20.0915 -20.0915 -19.7440 -19.7440 -19.6481 -19.6481 -18.4807 -18.4807 -17.0784 -17.0784 -16.4056 -16.4056 -6.2594 -6.2594 -4.7100 -4.7100 -3.1573 -3.1573 -2.7874 -2.7874 -1.0191 -1.0191 -0.9720 -0.9720 -0.9630 -0.9630 -0.5061 -0.5061 -0.4822 -0.4822 -0.1028 -0.1028 -0.0071 -0.0071 0.0535 0.0535 0.0697 0.0697 0.0943 0.0943 0.1124 0.1124 3.6724 3.6724 10.5308 10.5308 11.5474 11.5474 12.7398 12.7398 13.1374 13.1374 k = 0.0133 0.0293-0.0000 ( 3677 PWs) bands (ev): -22.7050 -22.7050 -22.4845 -22.4845 -21.1357 -21.1357 -20.2267 -20.2267 -20.0915 -20.0915 -19.7442 -19.7442 -19.6483 -19.6483 -18.4807 -18.4807 -17.0832 -17.0832 -16.4056 -16.4056 -6.2839 -6.2839 -4.6779 -4.6779 -3.1553 -3.1553 -2.7864 -2.7864 -1.0220 -1.0220 -0.9742 -0.9742 -0.9640 -0.9640 -0.5034 -0.5034 -0.4796 -0.4796 -0.1029 -0.1029 -0.0113 -0.0113 0.0524 0.0524 0.0698 0.0698 0.0948 0.0948 0.1145 0.1145 3.6777 3.6777 10.5221 10.5221 11.5520 11.5520 12.7334 12.7334 13.1345 13.1345 k = 0.0200 0.0440-0.0000 ( 3681 PWs) bands (ev): -22.7050 -22.7050 -22.4820 -22.4820 -21.1332 -21.1332 -20.2270 -20.2270 -20.0915 -20.0915 -19.7445 -19.7445 -19.6487 -19.6487 -18.4808 -18.4808 -17.0912 -17.0912 -16.4055 -16.4055 -6.3225 -6.3225 -4.6268 -4.6268 -3.1520 -3.1520 -2.7847 -2.7847 -1.0267 -1.0267 -0.9781 -0.9781 -0.9654 -0.9654 -0.4991 -0.4991 -0.4753 -0.4753 -0.1032 -0.1032 -0.0185 -0.0185 0.0511 0.0511 0.0699 0.0699 0.0956 0.0956 0.1175 0.1175 3.6864 3.6864 10.5078 10.5078 11.5597 11.5597 12.7227 12.7227 13.1296 13.1296 k = 0.0267 0.0587-0.0000 ( 3681 PWs) bands (ev): -22.7049 -22.7049 -22.4786 -22.4786 -21.1297 -21.1297 -20.2275 -20.2275 -20.0915 -20.0915 -19.7450 -19.7450 -19.6491 -19.6491 -18.4809 -18.4809 -17.1024 -17.1024 -16.4054 -16.4054 -6.3725 -6.3725 -4.5595 -4.5595 -3.1472 -3.1472 -2.7823 -2.7823 -1.0332 -1.0332 -0.9836 -0.9836 -0.9670 -0.9670 -0.4933 -0.4933 -0.4696 -0.4696 -0.1036 -0.1036 -0.0286 -0.0286 0.0499 0.0499 0.0701 0.0701 0.0968 0.0968 0.1213 0.1213 3.6987 3.6987 10.4877 10.4877 11.5705 11.5705 12.7079 12.7079 13.1227 13.1227 k = 0.0333 0.0733-0.0000 ( 3681 PWs) bands (ev): -22.7048 -22.7048 -22.4741 -22.4741 -21.1253 -21.1253 -20.2281 -20.2281 -20.0915 -20.0915 -19.7455 -19.7455 -19.6498 -19.6498 -18.4811 -18.4811 -17.1166 -17.1166 -16.4053 -16.4053 -6.4312 -6.4312 -4.4788 -4.4788 -3.1409 -3.1409 -2.7792 -2.7792 -1.0413 -1.0413 -0.9907 -0.9907 -0.9688 -0.9688 -0.4860 -0.4860 -0.4625 -0.4625 -0.1040 -0.1040 -0.0415 -0.0415 0.0490 0.0490 0.0704 0.0704 0.0981 0.0981 0.1256 0.1256 3.7143 3.7143 10.4620 10.4620 11.5842 11.5842 12.6893 12.6893 13.1139 13.1139 k = 0.0400 0.0880-0.0000 ( 3681 PWs) bands (ev): -22.7047 -22.7047 -22.4687 -22.4687 -21.1198 -21.1198 -20.2288 -20.2288 -20.0914 -20.0914 -19.7463 -19.7463 -19.6505 -19.6505 -18.4813 -18.4813 -17.1339 -17.1339 -16.4051 -16.4051 -6.4960 -6.4960 -4.3877 -4.3877 -3.1329 -3.1329 -2.7755 -2.7755 -1.0508 -1.0508 -0.9992 -0.9992 -0.9708 -0.9708 -0.4776 -0.4776 -0.4543 -0.4543 -0.1044 -0.1044 -0.0570 -0.0570 0.0486 0.0486 0.0708 0.0708 0.0997 0.0997 0.1301 0.1301 3.7334 3.7334 10.4306 10.4306 11.6007 11.6007 12.6671 12.6671 13.1031 13.1031 k = 0.0467 0.1027-0.0000 ( 3665 PWs) bands (ev): -22.7046 -22.7046 -22.4625 -22.4625 -21.1133 -21.1133 -20.2297 -20.2297 -20.0914 -20.0914 -19.7471 -19.7471 -19.6514 -19.6514 -18.4815 -18.4815 -17.1540 -17.1540 -16.4049 -16.4049 -6.5649 -6.5649 -4.2886 -4.2886 -3.1230 -3.1230 -2.7711 -2.7711 -1.0615 -1.0615 -1.0088 -1.0088 -0.9731 -0.9731 -0.4683 -0.4683 -0.4451 -0.4451 -0.1048 -0.1048 -0.0751 -0.0751 0.0486 0.0486 0.0714 0.0714 0.1015 0.1015 0.1348 0.1348 3.7558 3.7558 10.3938 10.3938 11.6199 11.6199 12.6416 12.6416 13.0903 13.0903 k = 0.0533 0.1173-0.0000 ( 3665 PWs) bands (ev): -22.7045 -22.7045 -22.4554 -22.4554 -21.1057 -21.1057 -20.2308 -20.2308 -20.0913 -20.0913 -19.7480 -19.7480 -19.6524 -19.6524 -18.4817 -18.4817 -17.1770 -17.1770 -16.4047 -16.4047 -6.6362 -6.6362 -4.1836 -4.1836 -3.1111 -3.1111 -2.7660 -2.7660 -1.0733 -1.0733 -1.0194 -1.0194 -0.9757 -0.9757 -0.4581 -0.4581 -0.4351 -0.4351 -0.1053 -0.1053 -0.0954 -0.0954 0.0490 0.0490 0.0722 0.0722 0.1034 0.1034 0.1397 0.1397 3.7815 3.7815 10.3514 10.3514 11.6416 11.6416 12.6134 12.6134 13.0756 13.0756 k = 0.0600 0.1320-0.0000 ( 3669 PWs) bands (ev): -22.7043 -22.7043 -22.4475 -22.4475 -21.0971 -21.0971 -20.2320 -20.2320 -20.0913 -20.0913 -19.7491 -19.7491 -19.6535 -19.6535 -18.4820 -18.4820 -17.2027 -17.2027 -16.4044 -16.4044 -6.7086 -6.7086 -4.0747 -4.0747 -3.0965 -3.0965 -2.7604 -2.7604 -1.0859 -1.0859 -1.0308 -1.0308 -0.9785 -0.9785 -0.4475 -0.4475 -0.4245 -0.4245 -0.1179 -0.1179 -0.1057 -0.1057 0.0497 0.0497 0.0732 0.0732 0.1054 0.1054 0.1447 0.1447 3.8105 3.8105 10.3038 10.3038 11.6657 11.6657 12.5827 12.5827 13.0589 13.0589 k = 0.0666 0.1467-0.0000 ( 3665 PWs) bands (ev): -22.7041 -22.7041 -22.4389 -22.4389 -21.0875 -21.0875 -20.2333 -20.2333 -20.0912 -20.0912 -19.7504 -19.7504 -19.6548 -19.6548 -18.4823 -18.4823 -17.2309 -17.2309 -16.4042 -16.4042 -6.7811 -6.7811 -3.9637 -3.9637 -3.0788 -3.0788 -2.7542 -2.7542 -1.0993 -1.0993 -1.0429 -1.0429 -0.9816 -0.9816 -0.4364 -0.4364 -0.4135 -0.4135 -0.1424 -0.1424 -0.1060 -0.1060 0.0509 0.0509 0.0744 0.0744 0.1075 0.1075 0.1499 0.1499 3.8427 3.8427 10.2509 10.2509 11.6916 11.6916 12.5504 12.5504 13.0403 13.0403 k = 0.0733 0.1613-0.0000 ( 3665 PWs) bands (ev): -22.7039 -22.7039 -22.4296 -22.4296 -21.0768 -21.0768 -20.2349 -20.2349 -20.0912 -20.0912 -19.7517 -19.7517 -19.6562 -19.6562 -18.4826 -18.4826 -17.2615 -17.2615 -16.4039 -16.4039 -6.8529 -6.8529 -3.8526 -3.8526 -3.0570 -3.0570 -2.7474 -2.7474 -1.1132 -1.1132 -1.0555 -1.0555 -0.9849 -0.9849 -0.4252 -0.4252 -0.4023 -0.4023 -0.1688 -0.1688 -0.1062 -0.1062 0.0524 0.0524 0.0759 0.0759 0.1095 0.1095 0.1552 0.1552 3.8780 3.8780 10.1929 10.1929 11.7190 11.7190 12.5171 12.5171 13.0198 13.0198 k = 0.0800 0.1760-0.0000 ( 3665 PWs) bands (ev): -22.7038 -22.7038 -22.4197 -22.4197 -21.0650 -21.0650 -20.2366 -20.2366 -20.0912 -20.0912 -19.7531 -19.7531 -19.6577 -19.6577 -18.4830 -18.4830 -17.2943 -17.2943 -16.4036 -16.4036 -6.9236 -6.9236 -3.7435 -3.7435 -3.0297 -3.0297 -2.7400 -2.7400 -1.1277 -1.1277 -1.0684 -1.0684 -0.9884 -0.9884 -0.4140 -0.4140 -0.3910 -0.3910 -0.1970 -0.1970 -0.1062 -0.1062 0.0544 0.0544 0.0777 0.0777 0.1116 0.1116 0.1608 0.1608 3.9164 3.9164 10.1300 10.1300 11.7472 11.7472 12.4837 12.4837 12.9975 12.9975 k = 0.0866 0.1907-0.0000 ( 3665 PWs) bands (ev): -22.7036 -22.7036 -22.4093 -22.4093 -21.0522 -21.0522 -20.2385 -20.2385 -20.0911 -20.0911 -19.7547 -19.7547 -19.6593 -19.6593 -18.4833 -18.4833 -17.3291 -17.3291 -16.4032 -16.4032 -6.9925 -6.9925 -3.6392 -3.6392 -2.9953 -2.9953 -2.7322 -2.7322 -1.1424 -1.1424 -1.0817 -1.0817 -0.9921 -0.9921 -0.4030 -0.4030 -0.3798 -0.3798 -0.2268 -0.2268 -0.1061 -0.1061 0.0567 0.0567 0.0798 0.0798 0.1136 0.1136 0.1665 0.1665 3.9578 3.9578 10.0623 10.0623 11.7752 11.7752 12.4515 12.4515 12.9733 12.9733 k = 0.0933 0.2053-0.0000 ( 3657 PWs) bands (ev): -22.7033 -22.7033 -22.3984 -22.3984 -21.0383 -21.0383 -20.2406 -20.2406 -20.0910 -20.0910 -19.7564 -19.7564 -19.6611 -19.6611 -18.4837 -18.4837 -17.3657 -17.3657 -16.4029 -16.4029 -7.0594 -7.0594 -3.5424 -3.5424 -2.9513 -2.9513 -2.7238 -2.7238 -1.1574 -1.1574 -1.0951 -1.0951 -0.9960 -0.9960 -0.3924 -0.3924 -0.3688 -0.3688 -0.2580 -0.2580 -0.1059 -0.1059 0.0595 0.0595 0.0823 0.0823 0.1155 0.1155 0.1723 0.1723 4.0022 4.0022 9.9900 9.9900 11.8018 11.8018 12.4221 12.4221 12.9474 12.9474 k = 0.1000 0.2200-0.0000 ( 3657 PWs) bands (ev): -22.7031 -22.7031 -22.3872 -22.3872 -21.0233 -21.0233 -20.2430 -20.2430 -20.0910 -20.0910 -19.7582 -19.7582 -19.6630 -19.6630 -18.4841 -18.4841 -17.4040 -17.4040 -16.4025 -16.4025 -7.1240 -7.1240 -3.4565 -3.4565 -2.8955 -2.8955 -2.7149 -2.7149 -1.1725 -1.1725 -1.1086 -1.1086 -1.0000 -1.0000 -0.3826 -0.3826 -0.3583 -0.3583 -0.2905 -0.2905 -0.1054 -0.1054 0.0628 0.0628 0.0852 0.0852 0.1173 0.1173 0.1784 0.1784 4.0495 4.0495 9.9134 9.9134 11.8252 11.8252 12.3976 12.3976 12.9198 12.9198 k = 0.1066 0.2347-0.0000 ( 3657 PWs) bands (ev): -22.7028 -22.7028 -22.3756 -22.3756 -21.0073 -21.0073 -20.2456 -20.2456 -20.0909 -20.0909 -19.7601 -19.7601 -19.6650 -19.6650 -18.4845 -18.4845 -17.4437 -17.4437 -16.4021 -16.4021 -7.1861 -7.1861 -3.3834 -3.3834 -2.8261 -2.8261 -2.7056 -2.7056 -1.1876 -1.1876 -1.1222 -1.1222 -1.0041 -1.0041 -0.3744 -0.3744 -0.3481 -0.3481 -0.3232 -0.3232 -0.1048 -0.1048 0.0665 0.0665 0.0885 0.0885 0.1190 0.1190 0.1847 0.1847 4.0997 4.0997 9.8327 9.8327 11.8430 11.8430 12.3805 12.3805 12.8907 12.8907 k = 0.1133 0.2493-0.0000 ( 3657 PWs) bands (ev): -22.7025 -22.7025 -22.3639 -22.3639 -20.9902 -20.9902 -20.2485 -20.2485 -20.0908 -20.0908 -19.7621 -19.7621 -19.6671 -19.6671 -18.4849 -18.4849 -17.4845 -17.4845 -16.4017 -16.4017 -7.2456 -7.2456 -3.3236 -3.3236 -2.7435 -2.7435 -2.6959 -2.6959 -1.2027 -1.2027 -1.1356 -1.1356 -1.0082 -1.0082 -0.3756 -0.3756 -0.3485 -0.3485 -0.3386 -0.3386 -0.1040 -0.1040 0.0707 0.0707 0.0922 0.0922 0.1205 0.1205 0.1913 0.1913 4.1526 4.1526 9.7481 9.7481 11.8529 11.8529 12.3736 12.3736 12.8601 12.8601 k = 0.1200 0.2640-0.0000 ( 3685 PWs) bands (ev): -22.7023 -22.7023 -22.3521 -22.3521 -20.9722 -20.9722 -20.2518 -20.2518 -20.0908 -20.0908 -19.7643 -19.7643 -19.6694 -19.6694 -18.4854 -18.4854 -17.5264 -17.5264 -16.4012 -16.4012 -7.3024 -7.3024 -3.2755 -3.2755 -2.6858 -2.6858 -2.6497 -2.6497 -1.2178 -1.2178 -1.1490 -1.1490 -1.0124 -1.0124 -0.4036 -0.4036 -0.3489 -0.3489 -0.3297 -0.3297 -0.1030 -0.1030 0.0754 0.0754 0.0962 0.0962 0.1219 0.1219 0.1980 0.1980 4.2081 4.2081 9.6600 9.6600 11.8529 11.8529 12.3789 12.3789 12.8281 12.8281 k = 0.1266 0.2787-0.0000 ( 3685 PWs) bands (ev): -22.7020 -22.7020 -22.3402 -22.3402 -20.9530 -20.9530 -20.2552 -20.2552 -20.0907 -20.0907 -19.7665 -19.7665 -19.6717 -19.6717 -18.4859 -18.4859 -17.5688 -17.5688 -16.4008 -16.4008 -7.3563 -7.3563 -3.2366 -3.2366 -2.6754 -2.6754 -2.5476 -2.5476 -1.2327 -1.2327 -1.1623 -1.1623 -1.0167 -1.0167 -0.4402 -0.4402 -0.3426 -0.3426 -0.3215 -0.3215 -0.1017 -0.1017 0.0806 0.0806 0.1007 0.1007 0.1232 0.1232 0.2049 0.2049 4.2663 4.2663 9.5687 9.5687 11.8424 11.8424 12.3974 12.3974 12.7949 12.7949 k = 0.1333 0.2934-0.0000 ( 3697 PWs) bands (ev): -22.7017 -22.7017 -22.3284 -22.3284 -20.9330 -20.9330 -20.2591 -20.2591 -20.0906 -20.0906 -19.7688 -19.7688 -19.6741 -19.6741 -18.4863 -18.4863 -17.6115 -17.6115 -16.4003 -16.4003 -7.4074 -7.4074 -3.2045 -3.2045 -2.6647 -2.6647 -2.4404 -2.4404 -1.2474 -1.2474 -1.1753 -1.1753 -1.0208 -1.0208 -0.4790 -0.4790 -0.3360 -0.3360 -0.3141 -0.3141 -0.1003 -0.1003 0.0862 0.0862 0.1054 0.1054 0.1244 0.1244 0.2121 0.2121 4.3269 4.3269 9.4746 9.4746 11.8226 11.8226 12.4281 12.4281 12.7606 12.7606 k = 0.1400 0.3080-0.0000 ( 3697 PWs) bands (ev): -22.7014 -22.7014 -22.3166 -22.3166 -20.9120 -20.9120 -20.2633 -20.2633 -20.0905 -20.0905 -19.7712 -19.7712 -19.6767 -19.6767 -18.4867 -18.4867 -17.6544 -17.6544 -16.3998 -16.3998 -7.4555 -7.4555 -3.1772 -3.1772 -2.6537 -2.6537 -2.3303 -2.3303 -1.2618 -1.2618 -1.1881 -1.1881 -1.0250 -1.0250 -0.5190 -0.5190 -0.3300 -0.3300 -0.3075 -0.3075 -0.0987 -0.0987 0.0924 0.0924 0.1100 0.1100 0.1259 0.1259 0.2194 0.2194 4.3899 4.3899 9.3781 9.3781 11.7954 11.7954 12.4694 12.4694 12.7255 12.7255 k = 0.1466 0.3227-0.0000 ( 3693 PWs) bands (ev): -22.7010 -22.7010 -22.3051 -22.3051 -20.8902 -20.8902 -20.2678 -20.2678 -20.0903 -20.0903 -19.7737 -19.7737 -19.6793 -19.6793 -18.4871 -18.4871 -17.6971 -17.6971 -16.3993 -16.3993 -7.5006 -7.5006 -3.1533 -3.1533 -2.6425 -2.6425 -2.2194 -2.2194 -1.2760 -1.2760 -1.2006 -1.2006 -1.0290 -1.0290 -0.5601 -0.5601 -0.3246 -0.3246 -0.3016 -0.3016 -0.0968 -0.0968 0.0989 0.0989 0.1142 0.1142 0.1279 0.1279 0.2270 0.2270 4.4551 4.4551 9.2798 9.2798 11.7627 11.7627 12.5194 12.5194 12.6895 12.6895 k = 0.1533 0.3374-0.0000 ( 3693 PWs) bands (ev): -22.7007 -22.7007 -22.2939 -22.2939 -20.8676 -20.8676 -20.2728 -20.2728 -20.0902 -20.0902 -19.7763 -19.7763 -19.6820 -19.6820 -18.4875 -18.4875 -17.7393 -17.7393 -16.3988 -16.3988 -7.5428 -7.5428 -3.1319 -3.1319 -2.6310 -2.6310 -2.1090 -2.1090 -1.2898 -1.2898 -1.2128 -1.2128 -1.0328 -1.0328 -0.6022 -0.6022 -0.3201 -0.3201 -0.2966 -0.2966 -0.0949 -0.0949 0.1057 0.1057 0.1172 0.1172 0.1313 0.1313 0.2347 0.2347 4.5222 4.5222 9.1800 9.1800 11.7265 11.7265 12.5764 12.5764 12.6530 12.6530 k = 0.1600 0.3520-0.0000 ( 3701 PWs) bands (ev): -22.7003 -22.7003 -22.2830 -22.2830 -20.8443 -20.8443 -20.2783 -20.2783 -20.0900 -20.0900 -19.7790 -19.7790 -19.6849 -19.6849 -18.4879 -18.4879 -17.7807 -17.7807 -16.3983 -16.3983 -7.5821 -7.5821 -3.1124 -3.1124 -2.6194 -2.6194 -2.0003 -2.0003 -1.3032 -1.3032 -1.2247 -1.2247 -1.0365 -1.0365 -0.6451 -0.6451 -0.3162 -0.3162 -0.2924 -0.2924 -0.0927 -0.0927 0.1129 0.1129 0.1186 0.1186 0.1363 0.1363 0.2426 0.2426 4.5911 4.5911 9.0794 9.0794 11.6882 11.6882 12.6160 12.6160 12.6391 12.6391 k = 0.1666 0.3667-0.0000 ( 3689 PWs) bands (ev): -22.6999 -22.6999 -22.2726 -22.2726 -20.8204 -20.8204 -20.2843 -20.2843 -20.0898 -20.0898 -19.7817 -19.7817 -19.6878 -19.6878 -18.4882 -18.4882 -17.8210 -17.8210 -16.3977 -16.3977 -7.6184 -7.6184 -3.0942 -3.0942 -2.6078 -2.6078 -1.8942 -1.8942 -1.3161 -1.3161 -1.2361 -1.2361 -1.0400 -1.0400 -0.6888 -0.6888 -0.3131 -0.3131 -0.2890 -0.2890 -0.0904 -0.0904 0.1189 0.1189 0.1203 0.1203 0.1423 0.1423 0.2507 0.2507 4.6614 4.6614 8.9786 8.9786 11.6489 11.6489 12.5788 12.5788 12.7066 12.7066 k = 0.1733 0.3814-0.0000 ( 3689 PWs) bands (ev): -22.6995 -22.6995 -22.2626 -22.2626 -20.7961 -20.7961 -20.2908 -20.2908 -20.0897 -20.0897 -19.7845 -19.7845 -19.6908 -19.6908 -18.4885 -18.4885 -17.8598 -17.8598 -16.3971 -16.3971 -7.6518 -7.6518 -3.0772 -3.0772 -2.5960 -2.5960 -1.7914 -1.7914 -1.3285 -1.3285 -1.2472 -1.2472 -1.0433 -1.0433 -0.7332 -0.7332 -0.3108 -0.3108 -0.2863 -0.2863 -0.0881 -0.0881 0.1185 0.1185 0.1279 0.1279 0.1490 0.1490 0.2589 0.2589 4.7326 4.7326 8.8784 8.8784 11.6092 11.6092 12.5415 12.5415 12.7782 12.7782 k = 0.1800 0.3960-0.0000 ( 3677 PWs) bands (ev): -22.6992 -22.6992 -22.2532 -22.2532 -20.7714 -20.7714 -20.2978 -20.2978 -20.0894 -20.0894 -19.7874 -19.7874 -19.6938 -19.6938 -18.4888 -18.4888 -17.8968 -17.8968 -16.3965 -16.3965 -7.6823 -7.6823 -3.0610 -3.0610 -2.5842 -2.5842 -1.6928 -1.6928 -1.3402 -1.3402 -1.2578 -1.2578 -1.0463 -1.0463 -0.7782 -0.7782 -0.3091 -0.3091 -0.2844 -0.2844 -0.0856 -0.0856 0.1176 0.1176 0.1356 0.1356 0.1560 0.1560 0.2673 0.2673 4.8045 4.8045 8.7796 8.7796 11.5700 11.5700 12.5042 12.5042 12.8534 12.8534 k = 0.1866 0.4107-0.0000 ( 3685 PWs) bands (ev): -22.6988 -22.6988 -22.2444 -22.2444 -20.7466 -20.7466 -20.3055 -20.3055 -20.0893 -20.0893 -19.7903 -19.7903 -19.6970 -19.6970 -18.4891 -18.4891 -17.9318 -17.9318 -16.3960 -16.3960 -7.7099 -7.7099 -3.0457 -3.0457 -2.5724 -2.5724 -1.5993 -1.5993 -1.3511 -1.3511 -1.2681 -1.2681 -1.0489 -1.0489 -0.8237 -0.8237 -0.3080 -0.3080 -0.2831 -0.2831 -0.0830 -0.0830 0.1163 0.1163 0.1433 0.1433 0.1632 0.1632 0.2758 0.2758 4.8763 4.8763 8.6829 8.6829 11.5315 11.5315 12.4672 12.4672 12.9318 12.9318 k = 0.1933 0.4254-0.0000 ( 3677 PWs) bands (ev): -22.6984 -22.6984 -22.2363 -22.2363 -20.7217 -20.7217 -20.3137 -20.3137 -20.0891 -20.0891 -19.7933 -19.7933 -19.7002 -19.7002 -18.4893 -18.4893 -17.9644 -17.9644 -16.3954 -16.3954 -7.7346 -7.7346 -3.0311 -3.0311 -2.5607 -2.5607 -1.5121 -1.5121 -1.3602 -1.3602 -1.2778 -1.2778 -1.0513 -1.0513 -0.8693 -0.8693 -0.3076 -0.3076 -0.2824 -0.2824 -0.0805 -0.0805 0.1146 0.1146 0.1510 0.1510 0.1705 0.1705 0.2844 0.2844 4.9474 4.9474 8.5896 8.5896 11.4943 11.4943 12.4305 12.4305 13.0130 13.0130 k = 0.1999 0.4400-0.0000 ( 3677 PWs) bands (ev): -22.6980 -22.6980 -22.2289 -22.2289 -20.6970 -20.6970 -20.3226 -20.3226 -20.0888 -20.0888 -19.7964 -19.7964 -19.7034 -19.7034 -18.4896 -18.4896 -17.9943 -17.9943 -16.3948 -16.3948 -7.7565 -7.7565 -3.0171 -3.0171 -2.5491 -2.5491 -1.4369 -1.4369 -1.3631 -1.3631 -1.2870 -1.2870 -1.0533 -1.0533 -0.9145 -0.9145 -0.3076 -0.3076 -0.2823 -0.2823 -0.0779 -0.0779 0.1126 0.1126 0.1586 0.1586 0.1777 0.1777 0.2932 0.2932 5.0170 5.0170 8.5005 8.5005 11.4585 11.4585 12.3943 12.3943 13.0967 13.0967 k = 0.2066 0.4547-0.0000 ( 3669 PWs) bands (ev): -22.6976 -22.6976 -22.2223 -22.2223 -20.6727 -20.6727 -20.3319 -20.3319 -20.0886 -20.0886 -19.7995 -19.7995 -19.7067 -19.7067 -18.4897 -18.4897 -18.0213 -18.0213 -16.3941 -16.3941 -7.7756 -7.7756 -3.0038 -3.0038 -2.5376 -2.5376 -1.4022 -1.4022 -1.3326 -1.3326 -1.2958 -1.2958 -1.0548 -1.0548 -0.9582 -0.9582 -0.3081 -0.3081 -0.2827 -0.2827 -0.0753 -0.0753 0.1104 0.1104 0.1659 0.1659 0.1847 0.1847 0.3020 0.3020 5.0842 5.0842 8.4170 8.4170 11.4245 11.4245 12.3588 12.3588 13.1828 13.1828 k = 0.2133 0.4694-0.0000 ( 3685 PWs) bands (ev): -22.6973 -22.6973 -22.2165 -22.2165 -20.6490 -20.6490 -20.3419 -20.3419 -20.0884 -20.0884 -19.8027 -19.8027 -19.7101 -19.7101 -18.4899 -18.4899 -18.0450 -18.0450 -16.3936 -16.3936 -7.7919 -7.7919 -2.9911 -2.9911 -2.5264 -2.5264 -1.4039 -1.4039 -1.3040 -1.3040 -1.2757 -1.2757 -1.0560 -1.0560 -0.9976 -0.9976 -0.3090 -0.3090 -0.2835 -0.2835 -0.0728 -0.0728 0.1078 0.1078 0.1730 0.1730 0.1916 0.1916 0.3108 0.3108 5.1479 5.1479 8.3404 8.3404 11.3925 11.3925 12.3240 12.3240 13.2709 13.2709 k = 0.2199 0.4840-0.0000 ( 3685 PWs) bands (ev): -22.6969 -22.6969 -22.2115 -22.2115 -20.6263 -20.6263 -20.3522 -20.3522 -20.0881 -20.0881 -19.8059 -19.8059 -19.7136 -19.7136 -18.4901 -18.4901 -18.0652 -18.0652 -16.3930 -16.3930 -7.8055 -7.8055 -2.9792 -2.9792 -2.5154 -2.5154 -1.4114 -1.4114 -1.3117 -1.3117 -1.2310 -1.2310 -1.0567 -1.0567 -1.0251 -1.0251 -0.3103 -0.3103 -0.2848 -0.2848 -0.0705 -0.0705 0.1051 0.1051 0.1799 0.1799 0.1982 0.1982 0.3197 0.3197 5.2069 5.2069 8.2721 8.2721 11.3626 11.3626 12.2900 12.2900 13.3610 13.3610 k = 0.2266 0.4987-0.0000 ( 3677 PWs) bands (ev): -22.6964 -22.6964 -22.2074 -22.2074 -20.6048 -20.6048 -20.3626 -20.3626 -20.0878 -20.0878 -19.8092 -19.8092 -19.7170 -19.7170 -18.4901 -18.4901 -18.0816 -18.0816 -16.3923 -16.3923 -7.8163 -7.8163 -2.9679 -2.9679 -2.5046 -2.5046 -1.4199 -1.4199 -1.3188 -1.3188 -1.2172 -1.2172 -1.0569 -1.0569 -1.0266 -1.0266 -0.3119 -0.3119 -0.2863 -0.2863 -0.0683 -0.0683 0.1022 0.1022 0.1863 0.1863 0.2044 0.2044 0.3286 0.3286 5.2599 5.2599 8.2134 8.2134 11.3349 11.3349 12.2569 12.2569 13.4526 13.4526 k = 0.2333 0.5134-0.0000 ( 3677 PWs) bands (ev): -22.6960 -22.6960 -22.2041 -22.2041 -20.5852 -20.5852 -20.3729 -20.3729 -20.0875 -20.0875 -19.8125 -19.8125 -19.7205 -19.7205 -18.4902 -18.4902 -18.0942 -18.0942 -16.3917 -16.3917 -7.8244 -7.8244 -2.9573 -2.9573 -2.4942 -2.4942 -1.4291 -1.4291 -1.3253 -1.3253 -1.2374 -1.2374 -1.0567 -1.0567 -0.9998 -0.9998 -0.3138 -0.3138 -0.2882 -0.2882 -0.0663 -0.0663 0.0991 0.0991 0.1923 0.1923 0.2103 0.2103 0.3375 0.3375 5.3058 5.3058 8.1660 8.1660 11.3097 11.3097 12.2249 12.2249 13.5458 13.5458 k = 0.2399 0.5280-0.0000 ( 3685 PWs) bands (ev): -22.6957 -22.6957 -22.2018 -22.2018 -20.5680 -20.5680 -20.3823 -20.3823 -20.0872 -20.0872 -19.8158 -19.8158 -19.7240 -19.7240 -18.4902 -18.4902 -18.1026 -18.1026 -16.3911 -16.3911 -7.8297 -7.8297 -2.9475 -2.9475 -2.4841 -2.4841 -1.4394 -1.4394 -1.3312 -1.3312 -1.2754 -1.2754 -1.0559 -1.0559 -0.9605 -0.9605 -0.3160 -0.3160 -0.2904 -0.2904 -0.0645 -0.0645 0.0959 0.0959 0.1979 0.1979 0.2158 0.2158 0.3463 0.3463 5.3432 5.3432 8.1310 8.1310 11.2869 11.2869 12.1939 12.1939 13.6401 13.6401 k = 0.2466 0.5427-0.0000 ( 3685 PWs) bands (ev): -22.6953 -22.6953 -22.2003 -22.2003 -20.5543 -20.5543 -20.3901 -20.3901 -20.0869 -20.0869 -19.8192 -19.8192 -19.7276 -19.7276 -18.4902 -18.4902 -18.1069 -18.1069 -16.3905 -16.3905 -7.8324 -7.8324 -2.9385 -2.9385 -2.4745 -2.4745 -1.4524 -1.4524 -1.3364 -1.3364 -1.3189 -1.3189 -1.0547 -1.0547 -0.9193 -0.9193 -0.3183 -0.3183 -0.2927 -0.2927 -0.0631 -0.0631 0.0926 0.0926 0.2030 0.2030 0.2208 0.2208 0.3551 0.3551 5.3713 5.3713 8.1096 8.1096 11.2667 11.2667 12.1640 12.1640 13.7354 13.7354 k = 0.2533 0.5574-0.0000 ( 3685 PWs) bands (ev): -22.6949 -22.6949 -22.1998 -22.1998 -20.5451 -20.5451 -20.3951 -20.3951 -20.0866 -20.0866 -19.8226 -19.8226 -19.7311 -19.7311 -18.4901 -18.4901 -18.1069 -18.1069 -16.3899 -16.3899 -7.8324 -7.8324 -2.9304 -2.9304 -2.4653 -2.4653 -1.4719 -1.4719 -1.3601 -1.3601 -1.3410 -1.3410 -1.0529 -1.0529 -0.8803 -0.8803 -0.3207 -0.3207 -0.2953 -0.2953 -0.0621 -0.0621 0.0893 0.0893 0.2076 0.2076 0.2252 0.2252 0.3638 0.3638 5.3892 5.3892 8.1026 8.1026 11.2491 11.2491 12.1352 12.1352 13.8315 13.8315 k = 0.2599 0.5720-0.0000 ( 3685 PWs) bands (ev): -22.6945 -22.6945 -22.2003 -22.2003 -20.5416 -20.5416 -20.3963 -20.3963 -20.0863 -20.0863 -19.8261 -19.8261 -19.7347 -19.7347 -18.4900 -18.4900 -18.1027 -18.1027 -16.3893 -16.3893 -7.8298 -7.8298 -2.9233 -2.9233 -2.4566 -2.4566 -1.5039 -1.5039 -1.3915 -1.3915 -1.3450 -1.3450 -1.0505 -1.0505 -0.8449 -0.8449 -0.3232 -0.3232 -0.2979 -0.2979 -0.0615 -0.0615 0.0861 0.0861 0.2116 0.2116 0.2292 0.2292 0.3724 0.3724 5.3967 5.3967 8.1103 8.1103 11.2342 11.2342 12.1076 12.1076 13.9280 13.9280 k = 0.2666 0.5867-0.0000 ( 3685 PWs) bands (ev): -22.6941 -22.6941 -22.2016 -22.2016 -20.5441 -20.5441 -20.3932 -20.3932 -20.0860 -20.0860 -19.8295 -19.8295 -19.7383 -19.7383 -18.4899 -18.4899 -18.0942 -18.0942 -16.3888 -16.3888 -7.8244 -7.8244 -2.9171 -2.9171 -2.4484 -2.4484 -1.5504 -1.5504 -1.4105 -1.4105 -1.3483 -1.3483 -1.0476 -1.0476 -0.8137 -0.8137 -0.3259 -0.3259 -0.3007 -0.3007 -0.0614 -0.0614 0.0829 0.0829 0.2150 0.2150 0.2326 0.2326 0.3809 0.3809 5.3939 5.3939 8.1325 8.1325 11.2221 11.2221 12.0812 12.0812 14.0246 14.0246 k = 0.2733 0.6014-0.0000 ( 3677 PWs) bands (ev): -22.6937 -22.6937 -22.2039 -22.2039 -20.5520 -20.5520 -20.3865 -20.3865 -20.0856 -20.0856 -19.8330 -19.8330 -19.7419 -19.7419 -18.4897 -18.4897 -18.0817 -18.0817 -16.3882 -16.3882 -7.8164 -7.8164 -2.9120 -2.9120 -2.4407 -2.4407 -1.6070 -1.6070 -1.4212 -1.4212 -1.3509 -1.3509 -1.0441 -1.0441 -0.7868 -0.7868 -0.3286 -0.3286 -0.3036 -0.3036 -0.0619 -0.0619 0.0799 0.0799 0.2179 0.2179 0.2354 0.2354 0.3893 0.3893 5.3814 5.3814 8.1686 8.1686 11.2128 11.2128 12.0560 12.0560 14.1210 14.1210 k = 0.2799 0.6160-0.0000 ( 3677 PWs) bands (ev): -22.6933 -22.6933 -22.2071 -22.2071 -20.5639 -20.5639 -20.3773 -20.3773 -20.0853 -20.0853 -19.8365 -19.8365 -19.7454 -19.7454 -18.4895 -18.4895 -18.0651 -18.0651 -16.3876 -16.3876 -7.8058 -7.8058 -2.9080 -2.9080 -2.4336 -2.4336 -1.6698 -1.6698 -1.4274 -1.4274 -1.3528 -1.3528 -1.0401 -1.0401 -0.7642 -0.7642 -0.3313 -0.3313 -0.3064 -0.3064 -0.0630 -0.0630 0.0770 0.0770 0.2201 0.2201 0.2376 0.2376 0.3975 0.3975 5.3602 5.3602 8.2175 8.2175 11.2063 11.2063 12.0319 12.0319 14.2168 14.2168 k = 0.2866 0.6307-0.0000 ( 3661 PWs) bands (ev): -22.6929 -22.6929 -22.2112 -22.2112 -20.5787 -20.5787 -20.3668 -20.3668 -20.0849 -20.0849 -19.8400 -19.8400 -19.7490 -19.7490 -18.4892 -18.4892 -18.0448 -18.0448 -16.3869 -16.3869 -7.7924 -7.7924 -2.9053 -2.9053 -2.4271 -2.4271 -1.7369 -1.7369 -1.4310 -1.4310 -1.3540 -1.3540 -1.0355 -1.0355 -0.7457 -0.7457 -0.3340 -0.3340 -0.3093 -0.3093 -0.0648 -0.0648 0.0744 0.0744 0.2217 0.2217 0.2393 0.2393 0.4055 0.4055 5.3313 5.3313 8.2779 8.2779 11.2028 11.2028 12.0090 12.0090 14.3115 14.3115 k = 0.2933 0.6454-0.0000 ( 3661 PWs) bands (ev): -22.6925 -22.6925 -22.2163 -22.2163 -20.5954 -20.5954 -20.3557 -20.3557 -20.0845 -20.0845 -19.8435 -19.8435 -19.7525 -19.7525 -18.4889 -18.4889 -18.0208 -18.0208 -16.3864 -16.3864 -7.7764 -7.7764 -2.9040 -2.9040 -2.4213 -2.4213 -1.8073 -1.8073 -1.4328 -1.4328 -1.3545 -1.3545 -1.0303 -1.0303 -0.7311 -0.7311 -0.3367 -0.3367 -0.3122 -0.3122 -0.0673 -0.0673 0.0721 0.0721 0.2228 0.2228 0.2403 0.2403 0.4134 0.4134 5.2962 5.2962 8.3483 8.3483 11.2021 11.2021 11.9873 11.9873 14.3257 14.3257 k = 0.2999 0.6600-0.0000 ( 3673 PWs) bands (ev): -22.6922 -22.6922 -22.2222 -22.2222 -20.6135 -20.6135 -20.3446 -20.3446 -20.0841 -20.0841 -19.8471 -19.8471 -19.7560 -19.7560 -18.4887 -18.4887 -17.9936 -17.9936 -16.3858 -16.3858 -7.7578 -7.7578 -2.9043 -2.9043 -2.4160 -2.4160 -1.8805 -1.8805 -1.4333 -1.4333 -1.3543 -1.3543 -1.0246 -1.0246 -0.7202 -0.7202 -0.3393 -0.3393 -0.3151 -0.3151 -0.0706 -0.0706 0.0701 0.0701 0.2232 0.2232 0.2407 0.2407 0.4210 0.4210 5.2561 5.2561 8.4271 8.4271 11.2045 11.2045 11.9666 11.9666 14.2643 14.2643 k = 0.3066 0.6747-0.0000 ( 3681 PWs) bands (ev): -22.6918 -22.6918 -22.2289 -22.2289 -20.6323 -20.6323 -20.3337 -20.3337 -20.0838 -20.0838 -19.8506 -19.8506 -19.7595 -19.7595 -18.4884 -18.4884 -17.9633 -17.9633 -16.3853 -16.3853 -7.7365 -7.7365 -2.9065 -2.9065 -2.4115 -2.4115 -1.9561 -1.9561 -1.4327 -1.4327 -1.3534 -1.3534 -1.0184 -1.0184 -0.7126 -0.7126 -0.3419 -0.3419 -0.3179 -0.3179 -0.0747 -0.0747 0.0684 0.0684 0.2230 0.2230 0.2406 0.2406 0.4285 0.4285 5.2122 5.2122 8.5127 8.5127 11.2100 11.2100 11.9470 11.9470 14.2046 14.2046 k = 0.3132 0.6894-0.0000 ( 3681 PWs) bands (ev): -22.6915 -22.6915 -22.2365 -22.2365 -20.6515 -20.6515 -20.3232 -20.3232 -20.0834 -20.0834 -19.8541 -19.8541 -19.7629 -19.7629 -18.4880 -18.4880 -17.9302 -17.9302 -16.3847 -16.3847 -7.7124 -7.7124 -2.9107 -2.9107 -2.4075 -2.4075 -2.0338 -2.0338 -1.4310 -1.4310 -1.3518 -1.3518 -1.0116 -1.0116 -0.7079 -0.7079 -0.3444 -0.3444 -0.3206 -0.3206 -0.0794 -0.0794 0.0670 0.0670 0.2222 0.2222 0.2399 0.2399 0.4358 0.4358 5.1658 5.1658 8.6038 8.6038 11.2185 11.2185 11.9284 11.9284 14.1467 14.1467 k = 0.3199 0.7040-0.0000 ( 3677 PWs) bands (ev): -22.6911 -22.6911 -22.2448 -22.2448 -20.6709 -20.6709 -20.3132 -20.3132 -20.0830 -20.0830 -19.8575 -19.8575 -19.7662 -19.7662 -18.4876 -18.4876 -17.8945 -17.8945 -16.3842 -16.3842 -7.6857 -7.6857 -2.9176 -2.9176 -2.4042 -2.4042 -2.1130 -2.1130 -1.4285 -1.4285 -1.3496 -1.3496 -1.0042 -1.0042 -0.7060 -0.7060 -0.3468 -0.3468 -0.3232 -0.3232 -0.0850 -0.0850 0.0659 0.0659 0.2208 0.2208 0.2387 0.2387 0.4428 0.4428 5.1179 5.1179 8.6988 8.6988 11.2302 11.2302 11.9107 11.9107 14.0907 14.0907 k = 0.3266 0.7187-0.0000 ( 3677 PWs) bands (ev): -22.6908 -22.6908 -22.2538 -22.2538 -20.6903 -20.6903 -20.3037 -20.3037 -20.0826 -20.0826 -19.8609 -19.8609 -19.7696 -19.7696 -18.4872 -18.4872 -17.8568 -17.8568 -16.3837 -16.3837 -7.6563 -7.6563 -2.9277 -2.9277 -2.4014 -2.4014 -2.1930 -2.1930 -1.4252 -1.4252 -1.3468 -1.3468 -0.9964 -0.9964 -0.7064 -0.7064 -0.3492 -0.3492 -0.3258 -0.3258 -0.0912 -0.0912 0.0651 0.0651 0.2190 0.2190 0.2369 0.2369 0.4497 0.4497 5.0692 5.0692 8.7964 8.7964 11.2452 11.2452 11.8941 11.8941 14.0365 14.0365 k = 0.3332 0.7334-0.0000 ( 3677 PWs) bands (ev): -22.6905 -22.6905 -22.2634 -22.2634 -20.7095 -20.7095 -20.2949 -20.2949 -20.0822 -20.0822 -19.8643 -19.8643 -19.7728 -19.7728 -18.4868 -18.4868 -17.8172 -17.8172 -16.3832 -16.3832 -7.6241 -7.6241 -2.9419 -2.9419 -2.3993 -2.3993 -2.2728 -2.2728 -1.4211 -1.4211 -1.3433 -1.3433 -0.9881 -0.9881 -0.7089 -0.7089 -0.3514 -0.3514 -0.3282 -0.3282 -0.0981 -0.0981 0.0645 0.0645 0.2165 0.2165 0.2347 0.2347 0.4563 0.4563 5.0206 5.0206 8.8956 8.8956 11.2635 11.2635 11.8783 11.8783 13.9842 13.9842 k = 0.3399 0.7480-0.0000 ( 3677 PWs) bands (ev): -22.6901 -22.6901 -22.2737 -22.2737 -20.7283 -20.7283 -20.2866 -20.2866 -20.0819 -20.0819 -19.8676 -19.8676 -19.7760 -19.7760 -18.4863 -18.4863 -17.7761 -17.7761 -16.3827 -16.3827 -7.5892 -7.5892 -2.9615 -2.9615 -2.3978 -2.3978 -2.3509 -2.3509 -1.4164 -1.4164 -1.3393 -1.3393 -0.9793 -0.9793 -0.7131 -0.7131 -0.3535 -0.3535 -0.3305 -0.3305 -0.1055 -0.1055 0.0641 0.0641 0.2136 0.2136 0.2319 0.2319 0.4627 0.4627 4.9726 4.9726 8.9951 8.9951 11.2853 11.2853 11.8633 11.8633 13.9337 13.9337 k = 0.3466 0.7627-0.0000 ( 3669 PWs) bands (ev): -22.6898 -22.6898 -22.2844 -22.2844 -20.7466 -20.7466 -20.2788 -20.2788 -20.0815 -20.0815 -19.8709 -19.8709 -19.7791 -19.7791 -18.4858 -18.4858 -17.7337 -17.7337 -16.3823 -16.3823 -7.5516 -7.5516 -2.9882 -2.9882 -2.4256 -2.4256 -2.3968 -2.3968 -1.4111 -1.4111 -1.3348 -1.3348 -0.9701 -0.9701 -0.7188 -0.7188 -0.3555 -0.3555 -0.3327 -0.3327 -0.1135 -0.1135 0.0638 0.0638 0.2103 0.2103 0.2287 0.2287 0.4689 0.4689 4.9257 4.9257 9.0940 9.0940 11.3105 11.3105 11.8492 11.8492 13.8851 13.8851 k = 0.3532 0.7774-0.0000 ( 3681 PWs) bands (ev): -22.6895 -22.6895 -22.2956 -22.2956 -20.7643 -20.7643 -20.2717 -20.2717 -20.0811 -20.0811 -19.8741 -19.8741 -19.7821 -19.7821 -18.4854 -18.4854 -17.6906 -17.6906 -16.3818 -16.3818 -7.5113 -7.5113 -3.0242 -3.0242 -2.4945 -2.4945 -2.3963 -2.3963 -1.4053 -1.4053 -1.3298 -1.3298 -0.9605 -0.9605 -0.7257 -0.7257 -0.3573 -0.3573 -0.3347 -0.3347 -0.1221 -0.1221 0.0637 0.0637 0.2064 0.2064 0.2251 0.2251 0.4749 0.4749 4.8803 4.8803 9.1914 9.1914 11.3394 11.3394 11.8358 11.8358 13.8384 13.8384 k = 0.3532 0.7774-0.0000 ( 3681 PWs) bands (ev): -22.6895 -22.6895 -22.2956 -22.2956 -20.7643 -20.7643 -20.2717 -20.2717 -20.0811 -20.0811 -19.8741 -19.8741 -19.7821 -19.7821 -18.4854 -18.4854 -17.6906 -17.6906 -16.3818 -16.3818 -7.5113 -7.5113 -3.0242 -3.0242 -2.4945 -2.4945 -2.3963 -2.3963 -1.4053 -1.4053 -1.3298 -1.3298 -0.9605 -0.9605 -0.7257 -0.7257 -0.3573 -0.3573 -0.3347 -0.3347 -0.1221 -0.1221 0.0637 0.0637 0.2064 0.2064 0.2251 0.2251 0.4749 0.4749 4.8803 4.8803 9.1914 9.1914 11.3394 11.3394 11.8358 11.8358 13.8384 13.8384 k = 0.3505 0.7714 0.0145 ( 3670 PWs) bands (ev): -22.6897 -22.6897 -22.2910 -22.2910 -20.7573 -20.7573 -20.2745 -20.2745 -20.0812 -20.0812 -19.8727 -19.8727 -19.7808 -19.7808 -18.4856 -18.4856 -17.7082 -17.7082 -16.3820 -16.3820 -7.5280 -7.5280 -3.0084 -3.0084 -2.4673 -2.4673 -2.3962 -2.3962 -1.4080 -1.4080 -1.3323 -1.3323 -0.9636 -0.9636 -0.7231 -0.7231 -0.3567 -0.3567 -0.3340 -0.3340 -0.1184 -0.1184 0.0639 0.0639 0.2079 0.2079 0.2266 0.2266 0.4725 0.4725 4.8985 4.8985 9.1519 9.1519 11.3269 11.3269 11.8409 11.8409 13.8592 13.8592 k = 0.3478 0.7654 0.0289 ( 3672 PWs) bands (ev): -22.6898 -22.6898 -22.2865 -22.2865 -20.7504 -20.7504 -20.2775 -20.2775 -20.0814 -20.0814 -19.8712 -19.8712 -19.7794 -19.7794 -18.4858 -18.4858 -17.7258 -17.7258 -16.3821 -16.3821 -7.5442 -7.5442 -2.9945 -2.9945 -2.4399 -2.4399 -2.3948 -2.3948 -1.4114 -1.4114 -1.3355 -1.3355 -0.9650 -0.9650 -0.7216 -0.7216 -0.3561 -0.3561 -0.3334 -0.3334 -0.1144 -0.1144 0.0646 0.0646 0.2091 0.2091 0.2278 0.2278 0.4702 0.4702 4.9167 4.9167 9.1119 9.1119 11.3146 11.3146 11.8456 11.8456 13.8842 13.8842 k = 0.3451 0.7594 0.0434 ( 3674 PWs) bands (ev): -22.6900 -22.6900 -22.2820 -22.2820 -20.7435 -20.7435 -20.2805 -20.2805 -20.0816 -20.0816 -19.8695 -19.8695 -19.7778 -19.7778 -18.4860 -18.4860 -17.7432 -17.7432 -16.3823 -16.3823 -7.5599 -7.5599 -2.9825 -2.9825 -2.4174 -2.4174 -2.3870 -2.3870 -1.4154 -1.4154 -1.3394 -1.3394 -0.9648 -0.9648 -0.7211 -0.7211 -0.3556 -0.3556 -0.3328 -0.3328 -0.1102 -0.1102 0.0657 0.0657 0.2099 0.2099 0.2290 0.2290 0.4680 0.4680 4.9350 4.9350 9.0715 9.0715 11.3023 11.3023 11.8499 11.8499 13.9131 13.9131 k = 0.3424 0.7535 0.0578 ( 3676 PWs) bands (ev): -22.6902 -22.6902 -22.2776 -22.2776 -20.7368 -20.7368 -20.2835 -20.2835 -20.0818 -20.0818 -19.8678 -19.8678 -19.7760 -19.7760 -18.4862 -18.4862 -17.7605 -17.7605 -16.3825 -16.3825 -7.5751 -7.5751 -2.9722 -2.9722 -2.4092 -2.4092 -2.3636 -2.3636 -1.4199 -1.4199 -1.3440 -1.3440 -0.9630 -0.9630 -0.7218 -0.7218 -0.3553 -0.3553 -0.3323 -0.3323 -0.1057 -0.1057 0.0671 0.0671 0.2100 0.2100 0.2303 0.2303 0.4660 0.4660 4.9533 4.9533 9.0308 9.0308 11.2900 11.2900 11.8540 11.8540 13.9455 13.9455 k = 0.3397 0.7475 0.0723 ( 3684 PWs) bands (ev): -22.6904 -22.6904 -22.2734 -22.2734 -20.7302 -20.7302 -20.2867 -20.2867 -20.0820 -20.0820 -19.8659 -19.8659 -19.7742 -19.7742 -18.4864 -18.4864 -17.7776 -17.7776 -16.3827 -16.3827 -7.5897 -7.5897 -2.9635 -2.9635 -2.4080 -2.4080 -2.3317 -2.3317 -1.4251 -1.4251 -1.3492 -1.3492 -0.9597 -0.9597 -0.7238 -0.7238 -0.3552 -0.3552 -0.3317 -0.3317 -0.1009 -0.1009 0.0689 0.0689 0.2095 0.2095 0.2317 0.2317 0.4640 0.4640 4.9718 4.9718 8.9899 8.9899 11.2778 11.2778 11.8579 11.8579 13.9810 13.9810 k = 0.3369 0.7415 0.0867 ( 3680 PWs) bands (ev): -22.6905 -22.6905 -22.2692 -22.2692 -20.7236 -20.7236 -20.2899 -20.2899 -20.0822 -20.0822 -19.8640 -19.8640 -19.7722 -19.7722 -18.4866 -18.4866 -17.7945 -17.7945 -16.3828 -16.3828 -7.6038 -7.6038 -2.9562 -2.9562 -2.4085 -2.4085 -2.2972 -2.2972 -1.4307 -1.4307 -1.3550 -1.3550 -0.9548 -0.9548 -0.7271 -0.7271 -0.3552 -0.3552 -0.3310 -0.3310 -0.0958 -0.0958 0.0710 0.0710 0.2081 0.2081 0.2335 0.2335 0.4622 0.4622 4.9902 4.9902 8.9488 8.9488 11.2656 11.2656 11.8618 11.8618 14.0192 14.0192 k = 0.3342 0.7355 0.1012 ( 3686 PWs) bands (ev): -22.6907 -22.6907 -22.2651 -22.2651 -20.7171 -20.7171 -20.2932 -20.2932 -20.0825 -20.0825 -19.8621 -19.8621 -19.7702 -19.7702 -18.4868 -18.4868 -17.8111 -17.8111 -16.3830 -16.3830 -7.6174 -7.6174 -2.9501 -2.9501 -2.4095 -2.4095 -2.2611 -2.2611 -1.4367 -1.4367 -1.3612 -1.3612 -0.9486 -0.9486 -0.7317 -0.7317 -0.3556 -0.3556 -0.3302 -0.3302 -0.0905 -0.0905 0.0734 0.0734 0.2057 0.2057 0.2357 0.2357 0.4606 0.4606 5.0088 5.0088 8.9077 8.9077 11.2534 11.2534 11.8658 11.8658 14.0597 14.0597 k = 0.3315 0.7296 0.1156 ( 3688 PWs) bands (ev): -22.6909 -22.6909 -22.2611 -22.2611 -20.7106 -20.7106 -20.2965 -20.2965 -20.0827 -20.0827 -19.8602 -19.8602 -19.7680 -19.7680 -18.4870 -18.4870 -17.8275 -17.8275 -16.3831 -16.3831 -7.6305 -7.6305 -2.9452 -2.9452 -2.4108 -2.4108 -2.2239 -2.2239 -1.4431 -1.4431 -1.3678 -1.3678 -0.9411 -0.9411 -0.7377 -0.7377 -0.3563 -0.3563 -0.3291 -0.3291 -0.0848 -0.0848 0.0759 0.0759 0.2025 0.2025 0.2383 0.2383 0.4592 0.4592 5.0275 5.0275 8.8666 8.8666 11.2410 11.2410 11.8698 11.8698 14.1019 14.1019 k = 0.3288 0.7236 0.1301 ( 3690 PWs) bands (ev): -22.6911 -22.6911 -22.2572 -22.2572 -20.7041 -20.7041 -20.2999 -20.2999 -20.0828 -20.0828 -19.8583 -19.8583 -19.7659 -19.7659 -18.4872 -18.4872 -17.8436 -17.8436 -16.3832 -16.3832 -7.6430 -7.6430 -2.9413 -2.9413 -2.4122 -2.4122 -2.1860 -2.1860 -1.4498 -1.4498 -1.3748 -1.3748 -0.9323 -0.9323 -0.7450 -0.7450 -0.3574 -0.3574 -0.3277 -0.3277 -0.0790 -0.0790 0.0785 0.0785 0.1986 0.1986 0.2411 0.2411 0.4580 0.4580 5.0462 5.0462 8.8256 8.8256 11.2287 11.2287 11.8740 11.8740 14.1454 14.1454 k = 0.3261 0.7176 0.1445 ( 3689 PWs) bands (ev): -22.6913 -22.6913 -22.2534 -22.2534 -20.6977 -20.6977 -20.3033 -20.3033 -20.0830 -20.0830 -19.8564 -19.8564 -19.7636 -19.7636 -18.4874 -18.4874 -17.8594 -17.8594 -16.3833 -16.3833 -7.6551 -7.6551 -2.9383 -2.9383 -2.4136 -2.4136 -2.1474 -2.1474 -1.4566 -1.4566 -1.3819 -1.3819 -0.9223 -0.9223 -0.7536 -0.7536 -0.3588 -0.3588 -0.3262 -0.3262 -0.0728 -0.0728 0.0810 0.0810 0.1940 0.1940 0.2441 0.2441 0.4569 0.4569 5.0651 5.0651 8.7849 8.7849 11.2163 11.2163 11.8782 11.8782 14.1897 14.1897 k = 0.3234 0.7116 0.1590 ( 3689 PWs) bands (ev): -22.6915 -22.6915 -22.2497 -22.2497 -20.6913 -20.6913 -20.3067 -20.3067 -20.0832 -20.0832 -19.8546 -19.8546 -19.7614 -19.7614 -18.4876 -18.4876 -17.8749 -17.8749 -16.3834 -16.3834 -7.6667 -7.6667 -2.9360 -2.9360 -2.4151 -2.4151 -2.1085 -2.1085 -1.4636 -1.4636 -1.3891 -1.3891 -0.9114 -0.9114 -0.7635 -0.7635 -0.3605 -0.3605 -0.3246 -0.3246 -0.0664 -0.0664 0.0834 0.0834 0.1889 0.1889 0.2474 0.2474 0.4561 0.4561 5.0840 5.0840 8.7444 8.7444 11.2039 11.2039 11.8824 11.8824 14.2342 14.2342 k = 0.3206 0.7056 0.1734 ( 3691 PWs) bands (ev): -22.6917 -22.6917 -22.2461 -22.2461 -20.6848 -20.6848 -20.3102 -20.3102 -20.0833 -20.0833 -19.8528 -19.8528 -19.7591 -19.7591 -18.4878 -18.4878 -17.8901 -17.8901 -16.3834 -16.3834 -7.6777 -7.6777 -2.9344 -2.9344 -2.4166 -2.4166 -2.0693 -2.0693 -1.4706 -1.4706 -1.3964 -1.3964 -0.8994 -0.8994 -0.7746 -0.7746 -0.3626 -0.3626 -0.3228 -0.3228 -0.0597 -0.0597 0.0852 0.0852 0.1835 0.1835 0.2507 0.2507 0.4555 0.4555 5.1029 5.1029 8.7044 8.7044 11.1915 11.1915 11.8866 11.8866 14.2784 14.2784 k = 0.3179 0.6997 0.1879 ( 3695 PWs) bands (ev): -22.6920 -22.6920 -22.2426 -22.2426 -20.6784 -20.6784 -20.3138 -20.3138 -20.0835 -20.0835 -19.8511 -19.8511 -19.7569 -19.7569 -18.4880 -18.4880 -17.9048 -17.9048 -16.3834 -16.3834 -7.6883 -7.6883 -2.9334 -2.9334 -2.4181 -2.4181 -2.0300 -2.0300 -1.4775 -1.4775 -1.4036 -1.4036 -0.8866 -0.8866 -0.7866 -0.7866 -0.3650 -0.3650 -0.3211 -0.3211 -0.0527 -0.0527 0.0862 0.0862 0.1782 0.1782 0.2540 0.2540 0.4551 0.4551 5.1220 5.1220 8.6648 8.6648 11.1793 11.1793 11.8906 11.8906 14.3217 14.3217 k = 0.3152 0.6937 0.2023 ( 3694 PWs) bands (ev): -22.6922 -22.6922 -22.2393 -22.2393 -20.6719 -20.6719 -20.3173 -20.3173 -20.0836 -20.0836 -19.8495 -19.8495 -19.7547 -19.7547 -18.4882 -18.4882 -17.9192 -17.9192 -16.3834 -16.3834 -7.6984 -7.6984 -2.9329 -2.9329 -2.4197 -2.4197 -1.9908 -1.9908 -1.4842 -1.4842 -1.4106 -1.4106 -0.8733 -0.8733 -0.7994 -0.7994 -0.3676 -0.3676 -0.3194 -0.3194 -0.0454 -0.0454 0.0860 0.0860 0.1733 0.1733 0.2573 0.2573 0.4549 0.4549 5.1410 5.1410 8.6258 8.6258 11.1672 11.1672 11.8942 11.8942 14.3635 14.3635 k = 0.3125 0.6877 0.2168 ( 3703 PWs) bands (ev): -22.6924 -22.6924 -22.2360 -22.2360 -20.6654 -20.6654 -20.3210 -20.3210 -20.0838 -20.0838 -19.8480 -19.8480 -19.7526 -19.7526 -18.4884 -18.4884 -17.9332 -17.9332 -16.3834 -16.3834 -7.7080 -7.7080 -2.9329 -2.9329 -2.4214 -2.4214 -1.9518 -1.9518 -1.4907 -1.4907 -1.4174 -1.4174 -0.8603 -0.8603 -0.8122 -0.8122 -0.3704 -0.3704 -0.3179 -0.3179 -0.0378 -0.0378 0.0840 0.0840 0.1694 0.1694 0.2605 0.2605 0.4548 0.4548 5.1601 5.1601 8.5875 8.5875 11.1554 11.1554 11.8974 11.8974 14.4033 14.4033 k = 0.3098 0.6817 0.2312 ( 3701 PWs) bands (ev): -22.6925 -22.6925 -22.2329 -22.2329 -20.6589 -20.6589 -20.3247 -20.3247 -20.0839 -20.0839 -19.8465 -19.8465 -19.7506 -19.7506 -18.4886 -18.4886 -17.9468 -17.9468 -16.3834 -16.3834 -7.7171 -7.7171 -2.9331 -2.9331 -2.4231 -2.4231 -1.9131 -1.9131 -1.4969 -1.4969 -1.4238 -1.4238 -0.8511 -0.8511 -0.8211 -0.8211 -0.3734 -0.3734 -0.3165 -0.3165 -0.0299 -0.0299 0.0799 0.0799 0.1668 0.1668 0.2635 0.2635 0.4549 0.4549 5.1791 5.1791 8.5500 8.5500 11.1440 11.1440 11.8999 11.8999 14.4404 14.4404 k = 0.3071 0.6757 0.2457 ( 3704 PWs) bands (ev): -22.6927 -22.6927 -22.2299 -22.2299 -20.6523 -20.6523 -20.3284 -20.3284 -20.0839 -20.0839 -19.8452 -19.8452 -19.7488 -19.7488 -18.4887 -18.4887 -17.9599 -17.9599 -16.3833 -16.3833 -7.7257 -7.7257 -2.9337 -2.9337 -2.4250 -2.4250 -1.8750 -1.8750 -1.5026 -1.5026 -1.4299 -1.4299 -0.8557 -0.8557 -0.8163 -0.8163 -0.3765 -0.3765 -0.3154 -0.3154 -0.0217 -0.0217 0.0733 0.0733 0.1658 0.1658 0.2663 0.2663 0.4552 0.4552 5.1981 5.1981 8.5132 8.5132 11.1329 11.1329 11.9016 11.9016 14.4744 14.4744 k = 0.3043 0.6698 0.2601 ( 3704 PWs) bands (ev): -22.6928 -22.6928 -22.2270 -22.2270 -20.6458 -20.6458 -20.3321 -20.3321 -20.0840 -20.0840 -19.8439 -19.8439 -19.7470 -19.7470 -18.4889 -18.4889 -17.9725 -17.9725 -16.3833 -16.3833 -7.7339 -7.7339 -2.9345 -2.9345 -2.4269 -2.4269 -1.8374 -1.8374 -1.5079 -1.5079 -1.4356 -1.4356 -0.8697 -0.8697 -0.8022 -0.8022 -0.3798 -0.3798 -0.3145 -0.3145 -0.0132 -0.0132 0.0645 0.0645 0.1663 0.1663 0.2688 0.2688 0.4556 0.4556 5.2170 5.2170 8.4774 8.4774 11.1224 11.1224 11.9023 11.9023 14.5048 14.5048 k = 0.3016 0.6638 0.2746 ( 3704 PWs) bands (ev): -22.6930 -22.6930 -22.2242 -22.2242 -20.6391 -20.6391 -20.3359 -20.3359 -20.0841 -20.0841 -19.8427 -19.8427 -19.7454 -19.7454 -18.4890 -18.4890 -17.9847 -17.9847 -16.3832 -16.3832 -7.7416 -7.7416 -2.9355 -2.9355 -2.4290 -2.4290 -1.8007 -1.8007 -1.5125 -1.5125 -1.4407 -1.4407 -0.8862 -0.8862 -0.7855 -0.7855 -0.3831 -0.3831 -0.3139 -0.3139 -0.0046 -0.0046 0.0535 0.0535 0.1681 0.1681 0.2710 0.2710 0.4562 0.4562 5.2358 5.2358 8.4426 8.4426 11.1124 11.1124 11.9020 11.9020 14.5314 14.5314 k = 0.2989 0.6578 0.2891 ( 3700 PWs) bands (ev): -22.6931 -22.6931 -22.2216 -22.2216 -20.6325 -20.6325 -20.3397 -20.3397 -20.0841 -20.0841 -19.8415 -19.8415 -19.7440 -19.7440 -18.4892 -18.4892 -17.9963 -17.9963 -16.3830 -16.3830 -7.7489 -7.7489 -2.9366 -2.9366 -2.4312 -2.4312 -1.7650 -1.7650 -1.5166 -1.5166 -1.4453 -1.4453 -0.9039 -0.9039 -0.7675 -0.7675 -0.3865 -0.3865 -0.3135 -0.3135 0.0039 0.0039 0.0412 0.0412 0.1709 0.1709 0.2728 0.2728 0.4568 0.4568 5.2545 5.2545 8.4089 8.4089 11.1030 11.1030 11.9005 11.9005 14.5545 14.5545 k = 0.2962 0.6518 0.3035 ( 3699 PWs) bands (ev): -22.6932 -22.6932 -22.2191 -22.2191 -20.6259 -20.6259 -20.3435 -20.3435 -20.0841 -20.0841 -19.8405 -19.8405 -19.7427 -19.7427 -18.4893 -18.4893 -18.0075 -18.0075 -16.3829 -16.3829 -7.7557 -7.7557 -2.9377 -2.9377 -2.4335 -2.4335 -1.7305 -1.7305 -1.5199 -1.5199 -1.4493 -1.4493 -0.9222 -0.9222 -0.7487 -0.7487 -0.3899 -0.3899 -0.3134 -0.3134 0.0104 0.0104 0.0294 0.0294 0.1743 0.1743 0.2743 0.2743 0.4576 0.4576 5.2729 5.2729 8.3763 8.3763 11.0942 11.0942 11.8977 11.8977 14.5747 14.5747 k = 0.2935 0.6458 0.3180 ( 3705 PWs) bands (ev): -22.6933 -22.6933 -22.2167 -22.2167 -20.6192 -20.6192 -20.3474 -20.3474 -20.0842 -20.0842 -19.8395 -19.8395 -19.7417 -19.7417 -18.4894 -18.4894 -18.0181 -18.0181 -16.3827 -16.3827 -7.7620 -7.7620 -2.9389 -2.9389 -2.4360 -2.4360 -1.6975 -1.6975 -1.5223 -1.5223 -1.4526 -1.4526 -0.9409 -0.9409 -0.7293 -0.7293 -0.3933 -0.3933 -0.3135 -0.3135 0.0049 0.0049 0.0285 0.0285 0.1781 0.1781 0.2753 0.2753 0.4584 0.4584 5.2910 5.2910 8.3449 8.3449 11.0861 11.0861 11.8937 11.8937 14.5931 14.5931 k = 0.2908 0.6399 0.3324 ( 3701 PWs) bands (ev): -22.6934 -22.6934 -22.2144 -22.2144 -20.6126 -20.6126 -20.3513 -20.3513 -20.0842 -20.0842 -19.8386 -19.8386 -19.7408 -19.7408 -18.4895 -18.4895 -18.0281 -18.0281 -16.3825 -16.3825 -7.7679 -7.7679 -2.9401 -2.9401 -2.4386 -2.4386 -1.6662 -1.6662 -1.5239 -1.5239 -1.4551 -1.4551 -0.9598 -0.9598 -0.7094 -0.7094 -0.3966 -0.3966 -0.3138 -0.3138 -0.0104 -0.0104 0.0363 0.0363 0.1822 0.1822 0.2760 0.2760 0.4593 0.4593 5.3088 5.3088 8.3149 8.3149 11.0788 11.0788 11.8885 11.8885 14.6105 14.6105 k = 0.2880 0.6339 0.3469 ( 3701 PWs) bands (ev): -22.6935 -22.6935 -22.2123 -22.2123 -20.6060 -20.6060 -20.3552 -20.3552 -20.0842 -20.0842 -19.8378 -19.8378 -19.7401 -19.7401 -18.4896 -18.4896 -18.0376 -18.0376 -16.3824 -16.3824 -7.7734 -7.7734 -2.9413 -2.9413 -2.4412 -2.4412 -1.6371 -1.6371 -1.5244 -1.5244 -1.4568 -1.4568 -0.9787 -0.9787 -0.6891 -0.6891 -0.3998 -0.3998 -0.3142 -0.3142 -0.0282 -0.0282 0.0456 0.0456 0.1865 0.1865 0.2762 0.2762 0.4602 0.4602 5.3262 5.3262 8.2862 8.2862 11.0722 11.0722 11.8820 11.8820 14.6278 14.6278 k = 0.2853 0.6279 0.3613 ( 3705 PWs) bands (ev): -22.6936 -22.6936 -22.2103 -22.2103 -20.5995 -20.5995 -20.3591 -20.3591 -20.0842 -20.0842 -19.8370 -19.8370 -19.7396 -19.7396 -18.4897 -18.4897 -18.0465 -18.0465 -16.3822 -16.3822 -7.7785 -7.7785 -2.9424 -2.9424 -2.4440 -2.4440 -1.6107 -1.6107 -1.5237 -1.5237 -1.4574 -1.4574 -0.9975 -0.9975 -0.6683 -0.6683 -0.4029 -0.4029 -0.3147 -0.3147 -0.0473 -0.0473 0.0551 0.0551 0.1908 0.1908 0.2760 0.2760 0.4611 0.4611 5.3430 5.3430 8.2590 8.2590 11.0663 11.0663 11.8745 11.8745 14.6455 14.6455 k = 0.2826 0.6219 0.3758 ( 3709 PWs) bands (ev): -22.6936 -22.6936 -22.2084 -22.2084 -20.5931 -20.5931 -20.3629 -20.3629 -20.0842 -20.0842 -19.8363 -19.8363 -19.7393 -19.7393 -18.4898 -18.4898 -18.0548 -18.0548 -16.3820 -16.3820 -7.7831 -7.7831 -2.9434 -2.9434 -2.4468 -2.4468 -1.5877 -1.5877 -1.5216 -1.5216 -1.4567 -1.4567 -1.0158 -1.0158 -0.6473 -0.6473 -0.4059 -0.4059 -0.3153 -0.3153 -0.0673 -0.0673 0.0646 0.0646 0.1952 0.1952 0.2755 0.2755 0.4621 0.4621 5.3593 5.3593 8.2333 8.2333 11.0611 11.0611 11.8660 11.8660 14.6635 14.6635 k = 0.2799 0.6160 0.3902 ( 3711 PWs) bands (ev): -22.6937 -22.6937 -22.2067 -22.2067 -20.5868 -20.5868 -20.3668 -20.3668 -20.0842 -20.0842 -19.8356 -19.8356 -19.7391 -19.7391 -18.4899 -18.4899 -18.0624 -18.0624 -16.3818 -16.3818 -7.7874 -7.7874 -2.9443 -2.9443 -2.4495 -2.4495 -1.5689 -1.5689 -1.5178 -1.5178 -1.4544 -1.4544 -1.0337 -1.0337 -0.6260 -0.6260 -0.4087 -0.4087 -0.3159 -0.3159 -0.0881 -0.0881 0.0740 0.0740 0.1995 0.1995 0.2745 0.2745 0.4630 0.4630 5.3749 5.3749 8.2092 8.2092 11.0566 11.0566 11.8568 11.8568 14.6819 14.6819 k = 0.2772 0.6100 0.4047 ( 3711 PWs) bands (ev): -22.6937 -22.6937 -22.2051 -22.2051 -20.5806 -20.5806 -20.3705 -20.3705 -20.0841 -20.0841 -19.8350 -19.8350 -19.7390 -19.7390 -18.4899 -18.4899 -18.0695 -18.0695 -16.3816 -16.3816 -7.7912 -7.7912 -2.9451 -2.9451 -2.4523 -2.4523 -1.5549 -1.5549 -1.5124 -1.5124 -1.4502 -1.4502 -1.0507 -1.0507 -0.6044 -0.6044 -0.4113 -0.4113 -0.3163 -0.3163 -0.1096 -0.1096 0.0831 0.0831 0.2038 0.2038 0.2732 0.2732 0.4640 0.4640 5.3898 5.3898 8.1868 8.1868 11.0528 11.0528 11.8471 11.8471 14.7004 14.7004 k = 0.2745 0.6040 0.4191 ( 3707 PWs) bands (ev): -22.6937 -22.6937 -22.2037 -22.2037 -20.5747 -20.5747 -20.3742 -20.3742 -20.0841 -20.0841 -19.8345 -19.8345 -19.7391 -19.7391 -18.4900 -18.4900 -18.0759 -18.0759 -16.3814 -16.3814 -7.7947 -7.7947 -2.9457 -2.9457 -2.4550 -2.4550 -1.5449 -1.5449 -1.5064 -1.5064 -1.4440 -1.4440 -1.0666 -1.0666 -0.5828 -0.5828 -0.4137 -0.4137 -0.3167 -0.3167 -0.1316 -0.1316 0.0917 0.0917 0.2080 0.2080 0.2715 0.2715 0.4649 0.4649 5.4037 5.4037 8.1662 8.1662 11.0497 11.0497 11.8370 11.8370 14.7184 14.7184 k = 0.2717 0.5980 0.4336 ( 3709 PWs) bands (ev): -22.6937 -22.6937 -22.2024 -22.2024 -20.5690 -20.5690 -20.3778 -20.3778 -20.0841 -20.0841 -19.8341 -19.8341 -19.7393 -19.7393 -18.4900 -18.4900 -18.0817 -18.0817 -16.3812 -16.3812 -7.7978 -7.7978 -2.9462 -2.9462 -2.4575 -2.4575 -1.5375 -1.5375 -1.5010 -1.5010 -1.4365 -1.4365 -1.0811 -1.0811 -0.5611 -0.5611 -0.4158 -0.4158 -0.3169 -0.3169 -0.1541 -0.1541 0.0997 0.0997 0.2122 0.2122 0.2696 0.2696 0.4658 0.4658 5.4167 5.4167 8.1475 8.1475 11.0471 11.0471 11.8269 11.8269 14.7357 14.7357 k = 0.2690 0.5920 0.4480 ( 3713 PWs) bands (ev): -22.6937 -22.6937 -22.2012 -22.2012 -20.5637 -20.5637 -20.3812 -20.3812 -20.0840 -20.0840 -19.8337 -19.8337 -19.7395 -19.7395 -18.4901 -18.4901 -18.0868 -18.0868 -16.3810 -16.3810 -7.8005 -7.8005 -2.9466 -2.9466 -2.4599 -2.4599 -1.5315 -1.5315 -1.4967 -1.4967 -1.4289 -1.4289 -1.0940 -1.0940 -0.5395 -0.5395 -0.4177 -0.4177 -0.3169 -0.3169 -0.1769 -0.1769 0.1069 0.1069 0.2164 0.2164 0.2673 0.2673 0.4667 0.4667 5.4285 5.4285 8.1307 8.1307 11.0450 11.0450 11.8170 11.8170 14.7519 14.7519 k = 0.2663 0.5861 0.4625 ( 3709 PWs) bands (ev): -22.6937 -22.6937 -22.2002 -22.2002 -20.5588 -20.5588 -20.3843 -20.3843 -20.0840 -20.0840 -19.8334 -19.8334 -19.7398 -19.7398 -18.4901 -18.4901 -18.0913 -18.0913 -16.3809 -16.3809 -7.8028 -7.8028 -2.9468 -2.9468 -2.4621 -2.4621 -1.5259 -1.5259 -1.4934 -1.4934 -1.4223 -1.4223 -1.1048 -1.1048 -0.5181 -0.5181 -0.4193 -0.4193 -0.3166 -0.3166 -0.1998 -0.1998 0.1134 0.1134 0.2206 0.2206 0.2648 0.2648 0.4675 0.4675 5.4392 5.4392 8.1159 8.1159 11.0433 11.0433 11.8076 11.8076 14.7666 14.7666 k = 0.2636 0.5801 0.4769 ( 3707 PWs) bands (ev): -22.6937 -22.6937 -22.1993 -22.1993 -20.5544 -20.5544 -20.3872 -20.3872 -20.0840 -20.0840 -19.8331 -19.8331 -19.7401 -19.7401 -18.4901 -18.4901 -18.0950 -18.0950 -16.3807 -16.3807 -7.8047 -7.8047 -2.9470 -2.9470 -2.4640 -2.4640 -1.5205 -1.5205 -1.4908 -1.4908 -1.4177 -1.4177 -1.1135 -1.1135 -0.4971 -0.4971 -0.4207 -0.4207 -0.3161 -0.3161 -0.2226 -0.2226 0.1189 0.1189 0.2249 0.2249 0.2621 0.2621 0.4682 0.4682 5.4485 5.4485 8.1032 8.1032 11.0421 11.0421 11.7990 11.7990 14.7796 14.7796 k = 0.2609 0.5741 0.4914 ( 3710 PWs) bands (ev): -22.6937 -22.6937 -22.1986 -22.1986 -20.5506 -20.5506 -20.3897 -20.3897 -20.0839 -20.0839 -19.8329 -19.8329 -19.7405 -19.7405 -18.4902 -18.4902 -18.0981 -18.0981 -16.3806 -16.3806 -7.8063 -7.8063 -2.9470 -2.9470 -2.4657 -2.4657 -1.5152 -1.5152 -1.4887 -1.4887 -1.4154 -1.4154 -1.1200 -1.1200 -0.4769 -0.4769 -0.4217 -0.4217 -0.3151 -0.3151 -0.2450 -0.2450 0.1234 0.1234 0.2292 0.2292 0.2591 0.2591 0.4689 0.4689 5.4563 5.4563 8.0926 8.0926 11.0411 11.0411 11.7915 11.7915 14.7908 14.7908 k = 0.2582 0.5681 0.5058 ( 3716 PWs) bands (ev): -22.6937 -22.6937 -22.1981 -22.1981 -20.5474 -20.5474 -20.3918 -20.3918 -20.0839 -20.0839 -19.8328 -19.8328 -19.7407 -19.7407 -18.4902 -18.4902 -18.1006 -18.1006 -16.3805 -16.3805 -7.8076 -7.8076 -2.9470 -2.9470 -2.4670 -2.4670 -1.5100 -1.5100 -1.4871 -1.4871 -1.4153 -1.4153 -1.1244 -1.1244 -0.4580 -0.4580 -0.4224 -0.4224 -0.3139 -0.3139 -0.2662 -0.2662 0.1268 0.1268 0.2334 0.2334 0.2560 0.2560 0.4694 0.4694 5.4626 5.4626 8.0843 8.0843 11.0404 11.0404 11.7852 11.7852 14.8001 14.8001 k = 0.2554 0.5621 0.5203 ( 3720 PWs) bands (ev): -22.6937 -22.6937 -22.1977 -22.1977 -20.5451 -20.5451 -20.3934 -20.3934 -20.0839 -20.0839 -19.8327 -19.8327 -19.7410 -19.7410 -18.4902 -18.4902 -18.1023 -18.1023 -16.3804 -16.3804 -7.8084 -7.8084 -2.9470 -2.9470 -2.4679 -2.4679 -1.5052 -1.5052 -1.4863 -1.4863 -1.4166 -1.4166 -1.1270 -1.1270 -0.4418 -0.4418 -0.4227 -0.4227 -0.3124 -0.3124 -0.2851 -0.2851 0.1292 0.1292 0.2377 0.2377 0.2527 0.2527 0.4698 0.4698 5.4672 5.4672 8.0784 8.0784 11.0399 11.0399 11.7806 11.7806 14.8071 14.8071 k = 0.2527 0.5562 0.5347 ( 3721 PWs) bands (ev): -22.6937 -22.6937 -22.1974 -22.1974 -20.5436 -20.5436 -20.3944 -20.3944 -20.0839 -20.0839 -19.8327 -19.8327 -19.7411 -19.7411 -18.4902 -18.4902 -18.1034 -18.1034 -16.3804 -16.3804 -7.8090 -7.8090 -2.9469 -2.9469 -2.4685 -2.4685 -1.5011 -1.5011 -1.4864 -1.4864 -1.4183 -1.4183 -1.1283 -1.1283 -0.4305 -0.4305 -0.4221 -0.4221 -0.3109 -0.3109 -0.2992 -0.2992 0.1305 0.1305 0.2417 0.2417 0.2493 0.2493 0.4701 0.4701 5.4700 5.4700 8.0747 8.0747 11.0396 11.0396 11.7777 11.7777 14.8117 14.8117 k = 0.2500 0.5502 0.5492 ( 3724 PWs) bands (ev): -22.6937 -22.6937 -22.1973 -22.1973 -20.5431 -20.5431 -20.3948 -20.3948 -20.0839 -20.0839 -19.8327 -19.8327 -19.7412 -19.7412 -18.4902 -18.4902 -18.1037 -18.1037 -16.3804 -16.3804 -7.8091 -7.8091 -2.9469 -2.9469 -2.4687 -2.4687 -1.4991 -1.4991 -1.4869 -1.4869 -1.4192 -1.4192 -1.1286 -1.1286 -0.4270 -0.4270 -0.4210 -0.4210 -0.3108 -0.3108 -0.3043 -0.3043 0.1310 0.1310 0.2447 0.2447 0.2466 0.2466 0.4702 0.4702 5.4710 5.4710 8.0735 8.0735 11.0395 11.0395 11.7767 11.7767 14.8134 14.8134 k = 0.2500 0.5502 0.5492 ( 3724 PWs) bands (ev): -22.6937 -22.6937 -22.1973 -22.1973 -20.5431 -20.5431 -20.3948 -20.3948 -20.0839 -20.0839 -19.8327 -19.8327 -19.7412 -19.7412 -18.4902 -18.4902 -18.1037 -18.1037 -16.3804 -16.3804 -7.8091 -7.8091 -2.9469 -2.9469 -2.4687 -2.4687 -1.4991 -1.4991 -1.4869 -1.4869 -1.4192 -1.4192 -1.1286 -1.1286 -0.4270 -0.4270 -0.4210 -0.4210 -0.3108 -0.3108 -0.3043 -0.3043 0.1310 0.1310 0.2447 0.2447 0.2466 0.2466 0.4702 0.4702 5.4710 5.4710 8.0735 8.0735 11.0395 11.0395 11.7767 11.7767 14.8134 14.8134 k = 0.2396 0.5549 0.5378 ( 3720 PWs) bands (ev): -22.6937 -22.6937 -22.1973 -22.1973 -20.5431 -20.5431 -20.3948 -20.3948 -20.0839 -20.0839 -19.8326 -19.8326 -19.7411 -19.7411 -18.4902 -18.4902 -18.1037 -18.1037 -16.3804 -16.3804 -7.8092 -7.8092 -2.9467 -2.9467 -2.4685 -2.4685 -1.5014 -1.5014 -1.4865 -1.4865 -1.4174 -1.4174 -1.1282 -1.1282 -0.4301 -0.4301 -0.4239 -0.4239 -0.3076 -0.3076 -0.3014 -0.3014 0.1305 0.1305 0.2445 0.2445 0.2467 0.2467 0.4700 0.4700 5.4709 5.4709 8.0735 8.0735 11.0399 11.0399 11.7774 11.7774 14.8111 14.8111 k = 0.2292 0.5597 0.5263 ( 3716 PWs) bands (ev): -22.6937 -22.6937 -22.1973 -22.1973 -20.5432 -20.5432 -20.3948 -20.3948 -20.0839 -20.0839 -19.8325 -19.8325 -19.7410 -19.7410 -18.4902 -18.4902 -18.1037 -18.1037 -16.3804 -16.3804 -7.8094 -7.8094 -2.9463 -2.9463 -2.4679 -2.4679 -1.5069 -1.5069 -1.4861 -1.4861 -1.4122 -1.4122 -1.1269 -1.1269 -0.4389 -0.4389 -0.4314 -0.4314 -0.2994 -0.2994 -0.2930 -0.2930 0.1289 0.1289 0.2437 0.2437 0.2470 0.2470 0.4697 0.4697 5.4705 5.4705 8.0735 8.0735 11.0409 11.0409 11.7795 11.7795 14.8041 14.8041 k = 0.2188 0.5644 0.5149 ( 3712 PWs) bands (ev): -22.6937 -22.6937 -22.1974 -22.1974 -20.5432 -20.5432 -20.3948 -20.3948 -20.0839 -20.0839 -19.8324 -19.8324 -19.7409 -19.7409 -18.4902 -18.4902 -18.1038 -18.1038 -16.3805 -16.3805 -7.8096 -7.8096 -2.9456 -2.9456 -2.4669 -2.4669 -1.5141 -1.5141 -1.4866 -1.4866 -1.4044 -1.4044 -1.1247 -1.1247 -0.4519 -0.4519 -0.4418 -0.4418 -0.2883 -0.2883 -0.2804 -0.2804 0.1263 0.1263 0.2423 0.2423 0.2476 0.2476 0.4691 0.4691 5.4700 5.4700 8.0734 8.0734 11.0425 11.0425 11.7830 11.7830 14.7916 14.7916 k = 0.2083 0.5691 0.5034 ( 3710 PWs) bands (ev): -22.6937 -22.6937 -22.1974 -22.1974 -20.5432 -20.5432 -20.3949 -20.3949 -20.0840 -20.0840 -19.8321 -19.8321 -19.7407 -19.7407 -18.4902 -18.4902 -18.1038 -18.1038 -16.3807 -16.3807 -7.8100 -7.8100 -2.9447 -2.9447 -2.4656 -2.4656 -1.5222 -1.5222 -1.4879 -1.4879 -1.3948 -1.3948 -1.1219 -1.1219 -0.4673 -0.4673 -0.4540 -0.4540 -0.2755 -0.2755 -0.2652 -0.2652 0.1229 0.1229 0.2404 0.2404 0.2484 0.2484 0.4684 0.4684 5.4691 5.4691 8.0733 8.0733 11.0446 11.0446 11.7879 11.7879 14.7726 14.7726 k = 0.1979 0.5739 0.4920 ( 3712 PWs) bands (ev): -22.6938 -22.6938 -22.1975 -22.1975 -20.5433 -20.5433 -20.3950 -20.3950 -20.0841 -20.0841 -19.8319 -19.8319 -19.7404 -19.7404 -18.4902 -18.4902 -18.1039 -18.1039 -16.3809 -16.3809 -7.8105 -7.8105 -2.9435 -2.9435 -2.4640 -2.4640 -1.5309 -1.5309 -1.4899 -1.4899 -1.3838 -1.3838 -1.1183 -1.1183 -0.4840 -0.4840 -0.4672 -0.4672 -0.2616 -0.2616 -0.2486 -0.2486 0.1187 0.1187 0.2378 0.2378 0.2492 0.2492 0.4675 0.4675 5.4681 5.4681 8.0732 8.0732 11.0473 11.0473 11.7941 11.7941 14.7464 14.7464 k = 0.1875 0.5786 0.4805 ( 3706 PWs) bands (ev): -22.6938 -22.6938 -22.1975 -22.1975 -20.5434 -20.5434 -20.3951 -20.3951 -20.0841 -20.0841 -19.8315 -19.8315 -19.7401 -19.7401 -18.4902 -18.4902 -18.1040 -18.1040 -16.3811 -16.3811 -7.8111 -7.8111 -2.9421 -2.9421 -2.4620 -2.4620 -1.5398 -1.5398 -1.4924 -1.4924 -1.3720 -1.3720 -1.1141 -1.1141 -0.5012 -0.5012 -0.4810 -0.4810 -0.2470 -0.2470 -0.2313 -0.2313 0.1138 0.1138 0.2347 0.2347 0.2500 0.2500 0.4664 0.4664 5.4669 5.4669 8.0730 8.0730 11.0504 11.0504 11.8018 11.8018 14.7129 14.7129 k = 0.1771 0.5833 0.4691 ( 3706 PWs) bands (ev): -22.6938 -22.6938 -22.1976 -22.1976 -20.5435 -20.5435 -20.3953 -20.3953 -20.0842 -20.0842 -19.8312 -19.8312 -19.7397 -19.7397 -18.4902 -18.4902 -18.1041 -18.1041 -16.3814 -16.3814 -7.8118 -7.8118 -2.9404 -2.9404 -2.4597 -2.4597 -1.5487 -1.5487 -1.4952 -1.4952 -1.3596 -1.3596 -1.1095 -1.1095 -0.5187 -0.5187 -0.4951 -0.4951 -0.2320 -0.2320 -0.2137 -0.2137 0.1085 0.1085 0.2311 0.2311 0.2507 0.2507 0.4652 0.4652 5.4656 5.4656 8.0728 8.0728 11.0539 11.0539 11.8108 11.8108 14.6727 14.6727 k = 0.1667 0.5881 0.4577 ( 3702 PWs) bands (ev): -22.6938 -22.6938 -22.1976 -22.1976 -20.5436 -20.5436 -20.3954 -20.3954 -20.0843 -20.0843 -19.8308 -19.8308 -19.7393 -19.7393 -18.4903 -18.4903 -18.1042 -18.1042 -16.3816 -16.3816 -7.8125 -7.8125 -2.9386 -2.9386 -2.4572 -2.4572 -1.5576 -1.5576 -1.4983 -1.4983 -1.3467 -1.3467 -1.1044 -1.1044 -0.5360 -0.5360 -0.5092 -0.5092 -0.2168 -0.2168 -0.1962 -0.1962 0.1028 0.1028 0.2269 0.2269 0.2511 0.2511 0.4640 0.4640 5.4641 5.4641 8.0726 8.0726 11.0576 11.0576 11.8212 11.8212 14.6272 14.6272 k = 0.1562 0.5928 0.4462 ( 3702 PWs) bands (ev): -22.6939 -22.6939 -22.1977 -22.1977 -20.5437 -20.5437 -20.3956 -20.3956 -20.0844 -20.0844 -19.8304 -19.8304 -19.7388 -19.7388 -18.4903 -18.4903 -18.1043 -18.1043 -16.3819 -16.3819 -7.8133 -7.8133 -2.9367 -2.9367 -2.4545 -2.4545 -1.5664 -1.5664 -1.5015 -1.5015 -1.3336 -1.3336 -1.0990 -1.0990 -0.5530 -0.5530 -0.5232 -0.5232 -0.2016 -0.2016 -0.1789 -0.1789 0.0968 0.0968 0.2221 0.2221 0.2511 0.2511 0.4627 0.4627 5.4625 5.4625 8.0724 8.0724 11.0614 11.0614 11.8327 11.8327 14.5780 14.5780 k = 0.1458 0.5975 0.4348 ( 3698 PWs) bands (ev): -22.6939 -22.6939 -22.1978 -22.1978 -20.5438 -20.5438 -20.3957 -20.3957 -20.0845 -20.0845 -19.8299 -19.8299 -19.7383 -19.7383 -18.4903 -18.4903 -18.1044 -18.1044 -16.3823 -16.3823 -7.8141 -7.8141 -2.9346 -2.9346 -2.4515 -2.4515 -1.5750 -1.5750 -1.5046 -1.5046 -1.3203 -1.3203 -1.0935 -1.0935 -0.5695 -0.5695 -0.5370 -0.5370 -0.1865 -0.1865 -0.1620 -0.1620 0.0908 0.0908 0.2168 0.2168 0.2509 0.2509 0.4615 0.4615 5.4608 5.4608 8.0722 8.0722 11.0653 11.0653 11.8454 11.8454 14.5264 14.5264 k = 0.1354 0.6023 0.4233 ( 3696 PWs) bands (ev): -22.6939 -22.6939 -22.1979 -22.1979 -20.5439 -20.5439 -20.3959 -20.3959 -20.0846 -20.0846 -19.8295 -19.8295 -19.7378 -19.7378 -18.4903 -18.4903 -18.1045 -18.1045 -16.3826 -16.3826 -7.8150 -7.8150 -2.9325 -2.9325 -2.4485 -2.4485 -1.5834 -1.5834 -1.5077 -1.5077 -1.3071 -1.3071 -1.0878 -1.0878 -0.5855 -0.5855 -0.5505 -0.5505 -0.1715 -0.1715 -0.1457 -0.1457 0.0849 0.0849 0.2110 0.2110 0.2502 0.2502 0.4603 0.4603 5.4591 5.4591 8.0720 8.0720 11.0692 11.0692 11.8592 11.8592 14.4737 14.4737 k = 0.1250 0.6070 0.4119 ( 3698 PWs) bands (ev): -22.6940 -22.6940 -22.1979 -22.1979 -20.5440 -20.5440 -20.3961 -20.3961 -20.0847 -20.0847 -19.8290 -19.8290 -19.7373 -19.7373 -18.4903 -18.4903 -18.1047 -18.1047 -16.3829 -16.3829 -7.8159 -7.8159 -2.9303 -2.9303 -2.4454 -2.4454 -1.5915 -1.5915 -1.5107 -1.5107 -1.2940 -1.2940 -1.0821 -1.0821 -0.6007 -0.6007 -0.5635 -0.5635 -0.1569 -0.1569 -0.1299 -0.1299 0.0791 0.0791 0.2047 0.2047 0.2491 0.2491 0.4591 0.4591 5.4573 5.4573 8.0718 8.0718 11.0730 11.0730 11.8737 11.8737 14.4211 14.4211 k = 0.1146 0.6117 0.4005 ( 3702 PWs) bands (ev): -22.6941 -22.6941 -22.1980 -22.1980 -20.5441 -20.5441 -20.3963 -20.3963 -20.0848 -20.0848 -19.8285 -19.8285 -19.7368 -19.7368 -18.4904 -18.4904 -18.1048 -18.1048 -16.3833 -16.3833 -7.8167 -7.8167 -2.9282 -2.9282 -2.4423 -2.4423 -1.5992 -1.5992 -1.5135 -1.5135 -1.2812 -1.2812 -1.0766 -1.0766 -0.6150 -0.6150 -0.5760 -0.5760 -0.1427 -0.1427 -0.1149 -0.1149 0.0737 0.0737 0.1979 0.1979 0.2477 0.2477 0.4581 0.4581 5.4555 5.4555 8.0715 8.0715 11.0766 11.0766 11.8889 11.8889 14.3693 14.3693 k = 0.1042 0.6165 0.3890 ( 3702 PWs) bands (ev): -22.6941 -22.6941 -22.1981 -22.1981 -20.5442 -20.5442 -20.3964 -20.3964 -20.0849 -20.0849 -19.8281 -19.8281 -19.7363 -19.7363 -18.4904 -18.4904 -18.1049 -18.1049 -16.3836 -16.3836 -7.8176 -7.8176 -2.9260 -2.9260 -2.4392 -2.4392 -1.6066 -1.6066 -1.5160 -1.5160 -1.2689 -1.2689 -1.0712 -1.0712 -0.6285 -0.6285 -0.5879 -0.5879 -0.1289 -0.1289 -0.1008 -0.1008 0.0689 0.0689 0.1907 0.1907 0.2459 0.2459 0.4571 0.4571 5.4538 5.4538 8.0713 8.0713 11.0800 11.0800 11.9045 11.9045 14.3193 14.3193 k = 0.0938 0.6212 0.3776 ( 3698 PWs) bands (ev): -22.6941 -22.6941 -22.1982 -22.1982 -20.5443 -20.5443 -20.3966 -20.3966 -20.0850 -20.0850 -19.8277 -19.8277 -19.7358 -19.7358 -18.4904 -18.4904 -18.1050 -18.1050 -16.3840 -16.3840 -7.8184 -7.8184 -2.9239 -2.9239 -2.4362 -2.4362 -1.6134 -1.6134 -1.5184 -1.5184 -1.2570 -1.2570 -1.0660 -1.0660 -0.6408 -0.6408 -0.5991 -0.5991 -0.1158 -0.1158 -0.0878 -0.0878 0.0649 0.0649 0.1830 0.1830 0.2438 0.2438 0.4563 0.4563 5.4522 5.4522 8.0711 8.0711 11.0831 11.0831 11.9202 11.9202 14.2716 14.2716 k = 0.0833 0.6259 0.3661 ( 3692 PWs) bands (ev): -22.6942 -22.6942 -22.1982 -22.1982 -20.5444 -20.5444 -20.3968 -20.3968 -20.0851 -20.0851 -19.8272 -19.8272 -19.7354 -19.7354 -18.4904 -18.4904 -18.1052 -18.1052 -16.3843 -16.3843 -7.8192 -7.8192 -2.9220 -2.9220 -2.4333 -2.4333 -1.6198 -1.6198 -1.5204 -1.5204 -1.2459 -1.2459 -1.0612 -1.0612 -0.6521 -0.6521 -0.6095 -0.6095 -0.1034 -0.1034 -0.0760 -0.0760 0.0620 0.0620 0.1749 0.1749 0.2415 0.2415 0.4556 0.4556 5.4506 5.4506 8.0709 8.0709 11.0859 11.0859 11.9357 11.9357 14.2269 14.2269 k = 0.0729 0.6307 0.3547 ( 3694 PWs) bands (ev): -22.6942 -22.6942 -22.1983 -22.1983 -20.5445 -20.5445 -20.3969 -20.3969 -20.0852 -20.0852 -19.8269 -19.8269 -19.7349 -19.7349 -18.4905 -18.4905 -18.1052 -18.1052 -16.3846 -16.3846 -7.8199 -7.8199 -2.9201 -2.9201 -2.4306 -2.4306 -1.6256 -1.6256 -1.5223 -1.5223 -1.2355 -1.2355 -1.0569 -1.0569 -0.6621 -0.6621 -0.6191 -0.6191 -0.0919 -0.0919 -0.0657 -0.0657 0.0603 0.0603 0.1665 0.1665 0.2390 0.2390 0.4550 0.4550 5.4492 5.4492 8.0707 8.0707 11.0884 11.0884 11.9506 11.9506 14.1858 14.1858 k = 0.0625 0.6354 0.3432 ( 3690 PWs) bands (ev): -22.6942 -22.6942 -22.1984 -22.1984 -20.5446 -20.5446 -20.3970 -20.3970 -20.0852 -20.0852 -19.8265 -19.8265 -19.7346 -19.7346 -18.4905 -18.4905 -18.1053 -18.1053 -16.3848 -16.3848 -7.8206 -7.8206 -2.9185 -2.9185 -2.4282 -2.4282 -1.6307 -1.6307 -1.5238 -1.5238 -1.2262 -1.2262 -1.0530 -1.0530 -0.6709 -0.6709 -0.6277 -0.6277 -0.0814 -0.0814 -0.0570 -0.0570 0.0602 0.0602 0.1578 0.1578 0.2366 0.2366 0.4546 0.4546 5.4479 5.4479 8.0705 8.0705 11.0906 11.0906 11.9645 11.9645 14.1489 14.1489 k = 0.0521 0.6401 0.3318 ( 3690 PWs) bands (ev): -22.6943 -22.6943 -22.1984 -22.1984 -20.5447 -20.5447 -20.3972 -20.3972 -20.0853 -20.0853 -19.8262 -19.8262 -19.7342 -19.7342 -18.4905 -18.4905 -18.1054 -18.1054 -16.3850 -16.3850 -7.8212 -7.8212 -2.9170 -2.9170 -2.4260 -2.4260 -1.6351 -1.6351 -1.5251 -1.5251 -1.2180 -1.2180 -1.0497 -1.0497 -0.6783 -0.6783 -0.6352 -0.6352 -0.0721 -0.0721 -0.0501 -0.0501 0.0618 0.0618 0.1489 0.1489 0.2342 0.2342 0.4542 0.4542 5.4468 5.4468 8.0704 8.0704 11.0924 11.0924 11.9772 11.9772 14.1166 14.1166 k = 0.0417 0.6449 0.3204 ( 3694 PWs) bands (ev): -22.6943 -22.6943 -22.1985 -22.1985 -20.5448 -20.5448 -20.3973 -20.3973 -20.0854 -20.0854 -19.8260 -19.8260 -19.7339 -19.7339 -18.4905 -18.4905 -18.1055 -18.1055 -16.3852 -16.3852 -7.8217 -7.8217 -2.9158 -2.9158 -2.4242 -2.4242 -1.6389 -1.6389 -1.5262 -1.5262 -1.2110 -1.2110 -1.0469 -1.0469 -0.6844 -0.6844 -0.6415 -0.6415 -0.0641 -0.0641 -0.0450 -0.0450 0.0649 0.0649 0.1400 0.1400 0.2320 0.2320 0.4539 0.4539 5.4458 5.4458 8.0703 8.0703 11.0939 11.0939 11.9881 11.9881 14.0895 14.0895 k = 0.0312 0.6496 0.3089 ( 3696 PWs) bands (ev): -22.6943 -22.6943 -22.1985 -22.1985 -20.5448 -20.5448 -20.3974 -20.3974 -20.0854 -20.0854 -19.8258 -19.8258 -19.7337 -19.7337 -18.4906 -18.4906 -18.1056 -18.1056 -16.3854 -16.3854 -7.8221 -7.8221 -2.9148 -2.9148 -2.4227 -2.4227 -1.6418 -1.6418 -1.5270 -1.5270 -1.2054 -1.2054 -1.0448 -1.0448 -0.6892 -0.6892 -0.6466 -0.6466 -0.0575 -0.0575 -0.0416 -0.0416 0.0694 0.0694 0.1313 0.1313 0.2302 0.2302 0.4537 0.4537 5.4451 5.4451 8.0702 8.0702 11.0950 11.0950 11.9970 11.9970 14.0679 14.0679 k = 0.0208 0.6543 0.2975 ( 3692 PWs) bands (ev): -22.6943 -22.6943 -22.1985 -22.1985 -20.5448 -20.5448 -20.3974 -20.3974 -20.0855 -20.0855 -19.8257 -19.8257 -19.7335 -19.7335 -18.4906 -18.4906 -18.1056 -18.1056 -16.3855 -16.3855 -7.8223 -7.8223 -2.9141 -2.9141 -2.4217 -2.4217 -1.6439 -1.6439 -1.5276 -1.5276 -1.2013 -1.2013 -1.0432 -1.0432 -0.6925 -0.6925 -0.6503 -0.6503 -0.0525 -0.0525 -0.0396 -0.0396 0.0746 0.0746 0.1233 0.1233 0.2288 0.2288 0.4536 0.4536 5.4445 5.4445 8.0701 8.0701 11.0958 11.0958 12.0036 12.0036 14.0522 14.0522 k = 0.0104 0.6591 0.2860 ( 3686 PWs) bands (ev): -22.6943 -22.6943 -22.1985 -22.1985 -20.5449 -20.5449 -20.3974 -20.3974 -20.0855 -20.0855 -19.8256 -19.8256 -19.7334 -19.7334 -18.4906 -18.4906 -18.1056 -18.1056 -16.3855 -16.3855 -7.8225 -7.8225 -2.9137 -2.9137 -2.4210 -2.4210 -1.6452 -1.6452 -1.5279 -1.5279 -1.1988 -1.1988 -1.0423 -1.0423 -0.6945 -0.6945 -0.6525 -0.6525 -0.0494 -0.0494 -0.0387 -0.0387 0.0793 0.0793 0.1170 0.1170 0.2279 0.2279 0.4535 0.4535 5.4442 5.4442 8.0701 8.0701 11.0963 11.0963 12.0077 12.0077 14.0427 14.0427 k = 0.0000 0.6638 0.2746 ( 3688 PWs) bands (ev): -22.6943 -22.6943 -22.1985 -22.1985 -20.5449 -20.5449 -20.3975 -20.3975 -20.0855 -20.0855 -19.8255 -19.8255 -19.7334 -19.7334 -18.4906 -18.4906 -18.1056 -18.1056 -16.3856 -16.3856 -7.8226 -7.8226 -2.9135 -2.9135 -2.4208 -2.4208 -1.6456 -1.6456 -1.5280 -1.5280 -1.1980 -1.1980 -1.0420 -1.0420 -0.6952 -0.6952 -0.6533 -0.6533 -0.0483 -0.0483 -0.0384 -0.0384 0.0814 0.0814 0.1145 0.1145 0.2276 0.2276 0.4535 0.4535 5.4441 5.4441 8.0700 8.0700 11.0965 11.0965 12.0090 12.0090 14.0395 14.0395 k = 0.0000 0.6638 0.2746 ( 3688 PWs) bands (ev): -22.6943 -22.6943 -22.1985 -22.1985 -20.5449 -20.5449 -20.3975 -20.3975 -20.0855 -20.0855 -19.8255 -19.8255 -19.7334 -19.7334 -18.4906 -18.4906 -18.1056 -18.1056 -16.3856 -16.3856 -7.8226 -7.8226 -2.9135 -2.9135 -2.4208 -2.4208 -1.6456 -1.6456 -1.5280 -1.5280 -1.1980 -1.1980 -1.0420 -1.0420 -0.6952 -0.6952 -0.6533 -0.6533 -0.0483 -0.0483 -0.0384 -0.0384 0.0814 0.0814 0.1145 0.1145 0.2276 0.2276 0.4535 0.4535 5.4441 5.4441 8.0700 8.0700 11.0965 11.0965 12.0090 12.0090 14.0395 14.0395 k =-0.0122 0.6599 0.2841 ( 3690 PWs) bands (ev): -22.6943 -22.6943 -22.1987 -22.1987 -20.5455 -20.5455 -20.3970 -20.3970 -20.0855 -20.0855 -19.8256 -19.8256 -19.7335 -19.7335 -18.4906 -18.4906 -18.1050 -18.1050 -16.3856 -16.3856 -7.8222 -7.8222 -2.9135 -2.9135 -2.4208 -2.4208 -1.6454 -1.6454 -1.5282 -1.5282 -1.2035 -1.2035 -1.0372 -1.0372 -0.7014 -0.7014 -0.6470 -0.6470 -0.0558 -0.0558 -0.0323 -0.0323 0.0823 0.0823 0.1144 0.1144 0.2276 0.2276 0.4534 0.4534 5.4429 5.4429 8.0720 8.0720 11.0968 11.0968 12.0085 12.0085 14.0413 14.0413 k =-0.0244 0.6559 0.2935 ( 3700 PWs) bands (ev): -22.6943 -22.6943 -22.1991 -22.1991 -20.5473 -20.5473 -20.3956 -20.3956 -20.0855 -20.0855 -19.8259 -19.8259 -19.7338 -19.7338 -18.4906 -18.4906 -18.1032 -18.1032 -16.3856 -16.3856 -7.8212 -7.8212 -2.9135 -2.9135 -2.4209 -2.4209 -1.6450 -1.6450 -1.5286 -1.5286 -1.2181 -1.2181 -1.0245 -1.0245 -0.7144 -0.7144 -0.6337 -0.6337 -0.0677 -0.0677 -0.0245 -0.0245 0.0852 0.0852 0.1143 0.1143 0.2276 0.2276 0.4530 0.4530 5.4394 5.4394 8.0781 8.0781 11.0978 11.0978 12.0070 12.0070 14.0464 14.0464 k =-0.0365 0.6520 0.3030 ( 3701 PWs) bands (ev): -22.6943 -22.6943 -22.1997 -22.1997 -20.5503 -20.5503 -20.3933 -20.3933 -20.0855 -20.0855 -19.8263 -19.8263 -19.7342 -19.7342 -18.4905 -18.4905 -18.1002 -18.1002 -16.3856 -16.3856 -7.8194 -7.8194 -2.9135 -2.9135 -2.4209 -2.4209 -1.6445 -1.6445 -1.5293 -1.5293 -1.2385 -1.2385 -1.0071 -1.0071 -0.7295 -0.7295 -0.6181 -0.6181 -0.0806 -0.0806 -0.0183 -0.0183 0.0897 0.0897 0.1143 0.1143 0.2277 0.2277 0.4526 0.4526 5.4336 5.4336 8.0880 8.0880 11.0994 11.0994 12.0045 12.0045 14.0550 14.0550 k =-0.0487 0.6481 0.3125 ( 3699 PWs) bands (ev): -22.6942 -22.6942 -22.2005 -22.2005 -20.5543 -20.5543 -20.3903 -20.3903 -20.0854 -20.0854 -19.8269 -19.8269 -19.7349 -19.7349 -18.4904 -18.4904 -18.0960 -18.0960 -16.3855 -16.3855 -7.8170 -7.8170 -2.9134 -2.9134 -2.4209 -2.4209 -1.6443 -1.6443 -1.5302 -1.5302 -1.2619 -1.2619 -0.9875 -0.9875 -0.7452 -0.7452 -0.6018 -0.6018 -0.0942 -0.0942 -0.0139 -0.0139 0.0954 0.0954 0.1145 0.1145 0.2278 0.2278 0.4519 0.4519 5.4256 5.4256 8.1019 8.1019 11.1017 11.1017 12.0010 12.0010 14.0668 14.0668 k =-0.0609 0.6442 0.3219 ( 3698 PWs) bands (ev): -22.6941 -22.6941 -22.2016 -22.2016 -20.5592 -20.5592 -20.3867 -20.3867 -20.0854 -20.0854 -19.8277 -19.8277 -19.7357 -19.7357 -18.4904 -18.4904 -18.0907 -18.0907 -16.3855 -16.3855 -7.8138 -7.8138 -2.9133 -2.9133 -2.4209 -2.4209 -1.6450 -1.6450 -1.5313 -1.5313 -1.2862 -1.2862 -0.9671 -0.9671 -0.7609 -0.7609 -0.5852 -0.5852 -0.1082 -0.1082 -0.0113 -0.0113 0.1012 0.1012 0.1160 0.1160 0.2279 0.2279 0.4511 0.4511 5.4155 5.4155 8.1195 8.1195 11.1047 11.1047 11.9967 11.9967 14.0816 14.0816 k =-0.0731 0.6403 0.3314 ( 3695 PWs) bands (ev): -22.6940 -22.6940 -22.2030 -22.2030 -20.5648 -20.5648 -20.3825 -20.3825 -20.0853 -20.0853 -19.8286 -19.8286 -19.7367 -19.7367 -18.4903 -18.4903 -18.0841 -18.0841 -16.3855 -16.3855 -7.8099 -7.8099 -2.9133 -2.9133 -2.4209 -2.4209 -1.6476 -1.6476 -1.5324 -1.5324 -1.3102 -1.3102 -0.9467 -0.9467 -0.7763 -0.7763 -0.5686 -0.5686 -0.1223 -0.1223 -0.0104 -0.0104 0.1048 0.1048 0.1204 0.1204 0.2280 0.2280 0.4502 0.4502 5.4033 5.4033 8.1407 8.1407 11.1082 11.1082 11.9916 11.9916 14.0993 14.0993 k =-0.0853 0.6364 0.3409 ( 3699 PWs) bands (ev): -22.6939 -22.6939 -22.2046 -22.2046 -20.5712 -20.5712 -20.3779 -20.3779 -20.0852 -20.0852 -19.8297 -19.8297 -19.7378 -19.7378 -18.4902 -18.4902 -18.0765 -18.0765 -16.3854 -16.3854 -7.8053 -7.8053 -2.9132 -2.9132 -2.4208 -2.4208 -1.6531 -1.6531 -1.5330 -1.5330 -1.3325 -1.3325 -0.9268 -0.9268 -0.7913 -0.7913 -0.5521 -0.5521 -0.1366 -0.1366 -0.0108 -0.0108 0.1056 0.1056 0.1280 0.1280 0.2282 0.2282 0.4492 0.4492 5.3893 5.3893 8.1655 8.1655 11.1124 11.1124 11.9858 11.9858 14.1195 14.1195 k =-0.0974 0.6324 0.3504 ( 3695 PWs) bands (ev): -22.6938 -22.6938 -22.2064 -22.2064 -20.5780 -20.5780 -20.3731 -20.3731 -20.0851 -20.0851 -19.8310 -19.8310 -19.7391 -19.7391 -18.4900 -18.4900 -18.0677 -18.0677 -16.3853 -16.3853 -7.8000 -7.8000 -2.9131 -2.9131 -2.4207 -2.4207 -1.6630 -1.6630 -1.5326 -1.5326 -1.3520 -1.3520 -0.9080 -0.9080 -0.8056 -0.8056 -0.5358 -0.5358 -0.1508 -0.1508 -0.0123 -0.0123 0.1051 0.1051 0.1370 0.1370 0.2284 0.2284 0.4483 0.4483 5.3736 5.3736 8.1935 8.1935 11.1172 11.1172 11.9794 11.9794 14.1417 14.1417 k =-0.1096 0.6285 0.3598 ( 3691 PWs) bands (ev): -22.6936 -22.6936 -22.2085 -22.2085 -20.5854 -20.5854 -20.3680 -20.3680 -20.0850 -20.0850 -19.8324 -19.8324 -19.7406 -19.7406 -18.4899 -18.4899 -18.0578 -18.0578 -16.3853 -16.3853 -7.7939 -7.7939 -2.9131 -2.9131 -2.4204 -2.4204 -1.6783 -1.6783 -1.5308 -1.5308 -1.3682 -1.3682 -0.8907 -0.8907 -0.8187 -0.8187 -0.5198 -0.5198 -0.1649 -0.1649 -0.0148 -0.0148 0.1039 0.1039 0.1465 0.1465 0.2286 0.2286 0.4473 0.4473 5.3562 5.3562 8.2246 8.2246 11.1226 11.1226 11.9726 11.9726 14.1655 14.1655 k =-0.1218 0.6246 0.3693 ( 3689 PWs) bands (ev): -22.6935 -22.6935 -22.2108 -22.2108 -20.5931 -20.5931 -20.3627 -20.3627 -20.0849 -20.0849 -19.8339 -19.8339 -19.7422 -19.7422 -18.4897 -18.4897 -18.0469 -18.0469 -16.3852 -16.3852 -7.7872 -7.7872 -2.9132 -2.9132 -2.4201 -2.4201 -1.6994 -1.6994 -1.5272 -1.5272 -1.3806 -1.3806 -0.8768 -0.8768 -0.8288 -0.8288 -0.5041 -0.5041 -0.1788 -0.1788 -0.0181 -0.0181 0.1023 0.1023 0.1558 0.1558 0.2289 0.2289 0.4465 0.4465 5.3374 5.3374 8.2587 8.2587 11.1285 11.1285 11.9653 11.9653 14.1902 14.1902 k =-0.1340 0.6207 0.3788 ( 3685 PWs) bands (ev): -22.6933 -22.6933 -22.2134 -22.2134 -20.6012 -20.6012 -20.3574 -20.3574 -20.0848 -20.0848 -19.8355 -19.8355 -19.7439 -19.7439 -18.4895 -18.4895 -18.0349 -18.0349 -16.3851 -16.3851 -7.7797 -7.7797 -2.9133 -2.9133 -2.4196 -2.4196 -1.7262 -1.7262 -1.5221 -1.5221 -1.3893 -1.3893 -0.8708 -0.8708 -0.8315 -0.8315 -0.4889 -0.4889 -0.1926 -0.1926 -0.0220 -0.0220 0.1004 0.1004 0.1648 0.1648 0.2292 0.2292 0.4458 0.4458 5.3174 5.3174 8.2955 8.2955 11.1350 11.1350 11.9579 11.9579 14.2147 14.2147 k =-0.1462 0.6168 0.3882 ( 3689 PWs) bands (ev): -22.6932 -22.6932 -22.2161 -22.2161 -20.6095 -20.6095 -20.3520 -20.3520 -20.0847 -20.0847 -19.8373 -19.8373 -19.7458 -19.7458 -18.4894 -18.4894 -18.0220 -18.0220 -16.3850 -16.3850 -7.7714 -7.7714 -2.9135 -2.9135 -2.4191 -2.4191 -1.7579 -1.7579 -1.5158 -1.5158 -1.3948 -1.3948 -0.8754 -0.8754 -0.8239 -0.8239 -0.4742 -0.4742 -0.2060 -0.2060 -0.0265 -0.0265 0.0983 0.0983 0.1732 0.1732 0.2296 0.2296 0.4452 0.4452 5.2962 5.2962 8.3348 8.3348 11.1421 11.1421 11.9502 11.9502 14.2380 14.2380 k =-0.1583 0.6129 0.3977 ( 3687 PWs) bands (ev): -22.6930 -22.6930 -22.2192 -22.2192 -20.6180 -20.6180 -20.3466 -20.3466 -20.0845 -20.0845 -19.8392 -19.8392 -19.7478 -19.7478 -18.4892 -18.4892 -18.0080 -18.0080 -16.3849 -16.3849 -7.7624 -7.7624 -2.9139 -2.9139 -2.4184 -2.4184 -1.7937 -1.7937 -1.5084 -1.5084 -1.3976 -1.3976 -0.8849 -0.8849 -0.8118 -0.8118 -0.4600 -0.4600 -0.2192 -0.2192 -0.0315 -0.0315 0.0960 0.0960 0.1809 0.1809 0.2300 0.2300 0.4449 0.4449 5.2741 5.2741 8.3764 8.3764 11.1496 11.1496 11.9425 11.9425 14.2582 14.2582 k =-0.1705 0.6089 0.4072 ( 3685 PWs) bands (ev): -22.6928 -22.6928 -22.2224 -22.2224 -20.6267 -20.6267 -20.3412 -20.3412 -20.0844 -20.0844 -19.8412 -19.8412 -19.7498 -19.7498 -18.4890 -18.4890 -17.9932 -17.9932 -16.3848 -16.3848 -7.7527 -7.7527 -2.9144 -2.9144 -2.4176 -2.4176 -1.8327 -1.8327 -1.5005 -1.5005 -1.3981 -1.3981 -0.8956 -0.8956 -0.7989 -0.7989 -0.4464 -0.4464 -0.2320 -0.2320 -0.0368 -0.0368 0.0936 0.0936 0.1878 0.1878 0.2304 0.2304 0.4448 0.4448 5.2512 5.2512 8.4200 8.4200 11.1577 11.1577 11.9348 11.9348 14.2731 14.2731 k =-0.1827 0.6050 0.4166 ( 3683 PWs) bands (ev): -22.6925 -22.6925 -22.2259 -22.2259 -20.6355 -20.6355 -20.3359 -20.3359 -20.0842 -20.0842 -19.8433 -19.8433 -19.7519 -19.7519 -18.4888 -18.4888 -17.9775 -17.9775 -16.3846 -16.3846 -7.7422 -7.7422 -2.9153 -2.9153 -2.4166 -2.4166 -1.8741 -1.8741 -1.4922 -1.4922 -1.3968 -1.3968 -0.9063 -0.9063 -0.7863 -0.7863 -0.4335 -0.4335 -0.2444 -0.2444 -0.0424 -0.0424 0.0910 0.0910 0.1939 0.1939 0.2309 0.2309 0.4450 0.4450 5.2276 5.2276 8.4656 8.4656 11.1662 11.1662 11.9273 11.9273 14.2802 14.2802 k =-0.1949 0.6011 0.4261 ( 3683 PWs) bands (ev): -22.6923 -22.6923 -22.2296 -22.2296 -20.6444 -20.6444 -20.3306 -20.3306 -20.0840 -20.0840 -19.8455 -19.8455 -19.7542 -19.7542 -18.4886 -18.4886 -17.9609 -17.9609 -16.3845 -16.3845 -7.7309 -7.7309 -2.9164 -2.9164 -2.4155 -2.4155 -1.9176 -1.9176 -1.4839 -1.4839 -1.3940 -1.3940 -0.9166 -0.9166 -0.7744 -0.7744 -0.4213 -0.4213 -0.2563 -0.2563 -0.0483 -0.0483 0.0883 0.0883 0.1990 0.1990 0.2314 0.2314 0.4455 0.4455 5.2034 5.2034 8.5128 8.5128 11.1752 11.1752 11.9198 11.9198 14.2774 14.2774 k =-0.2071 0.5972 0.4356 ( 3683 PWs) bands (ev): -22.6921 -22.6921 -22.2336 -22.2336 -20.6535 -20.6535 -20.3254 -20.3254 -20.0838 -20.0838 -19.8478 -19.8478 -19.7564 -19.7564 -18.4884 -18.4884 -17.9436 -17.9436 -16.3843 -16.3843 -7.7188 -7.7188 -2.9179 -2.9179 -2.4143 -2.4143 -1.9624 -1.9624 -1.4757 -1.4757 -1.3901 -1.3901 -0.9263 -0.9263 -0.7635 -0.7635 -0.4100 -0.4100 -0.2677 -0.2677 -0.0543 -0.0543 0.0856 0.0856 0.2033 0.2033 0.2319 0.2319 0.4463 0.4463 5.1788 5.1788 8.5615 8.5615 11.1848 11.1848 11.9126 11.9126 14.2636 14.2636 k =-0.2192 0.5933 0.4450 ( 3682 PWs) bands (ev): -22.6919 -22.6919 -22.2377 -22.2377 -20.6626 -20.6626 -20.3203 -20.3203 -20.0836 -20.0836 -19.8501 -19.8501 -19.7587 -19.7587 -18.4881 -18.4881 -17.9255 -17.9255 -16.3841 -16.3841 -7.7060 -7.7060 -2.9199 -2.9199 -2.4130 -2.4130 -2.0083 -2.0083 -1.4676 -1.4676 -1.3854 -1.3854 -0.9352 -0.9352 -0.7537 -0.7537 -0.3994 -0.3994 -0.2785 -0.2785 -0.0604 -0.0604 0.0828 0.0828 0.2067 0.2067 0.2324 0.2324 0.4474 0.4474 5.1539 5.1539 8.6115 8.6115 11.1947 11.1947 11.9056 11.9056 14.2397 14.2397 k =-0.2314 0.5894 0.4545 ( 3684 PWs) bands (ev): -22.6916 -22.6916 -22.2421 -22.2421 -20.6717 -20.6717 -20.3153 -20.3153 -20.0834 -20.0834 -19.8524 -19.8524 -19.7611 -19.7611 -18.4879 -18.4879 -17.9067 -17.9067 -16.3840 -16.3840 -7.6924 -7.6924 -2.9225 -2.9225 -2.4116 -2.4116 -2.0549 -2.0549 -1.4599 -1.4599 -1.3800 -1.3800 -0.9433 -0.9433 -0.7449 -0.7449 -0.3898 -0.3898 -0.2886 -0.2886 -0.0666 -0.0666 0.0801 0.0801 0.2094 0.2094 0.2328 0.2328 0.4489 0.4489 5.1288 5.1288 8.6626 8.6626 11.2052 11.2052 11.8989 11.8989 14.2077 14.2077 k =-0.2436 0.5854 0.4640 ( 3684 PWs) bands (ev): -22.6914 -22.6914 -22.2467 -22.2467 -20.6809 -20.6809 -20.3104 -20.3104 -20.0832 -20.0832 -19.8548 -19.8548 -19.7634 -19.7634 -18.4877 -18.4877 -17.8872 -17.8872 -16.3838 -16.3838 -7.6779 -7.6779 -2.9259 -2.9259 -2.4101 -2.4101 -2.1019 -2.1019 -1.4526 -1.4526 -1.3742 -1.3742 -0.9504 -0.9504 -0.7373 -0.7373 -0.3812 -0.3812 -0.2979 -0.2979 -0.0728 -0.0728 0.0775 0.0775 0.2113 0.2113 0.2331 0.2331 0.4506 0.4506 5.1035 5.1035 8.7145 8.7145 11.2162 11.2162 11.8923 11.8923 14.1703 14.1703 k =-0.2558 0.5815 0.4734 ( 3681 PWs) bands (ev): -22.6912 -22.6912 -22.2514 -22.2514 -20.6901 -20.6901 -20.3056 -20.3056 -20.0830 -20.0830 -19.8571 -19.8571 -19.7657 -19.7657 -18.4874 -18.4874 -17.8671 -17.8671 -16.3836 -16.3836 -7.6627 -7.6627 -2.9301 -2.9301 -2.4086 -2.4086 -2.1489 -2.1489 -1.4456 -1.4456 -1.3681 -1.3681 -0.9566 -0.9566 -0.7309 -0.7309 -0.3737 -0.3737 -0.3063 -0.3063 -0.0789 -0.0789 0.0749 0.0749 0.2125 0.2125 0.2332 0.2332 0.4526 0.4526 5.0782 5.0782 8.7671 8.7671 11.2276 11.2276 11.8860 11.8860 14.1297 14.1297 k =-0.2680 0.5776 0.4829 ( 3681 PWs) bands (ev): -22.6910 -22.6910 -22.2564 -22.2564 -20.6994 -20.6994 -20.3009 -20.3009 -20.0827 -20.0827 -19.8595 -19.8595 -19.7680 -19.7680 -18.4872 -18.4872 -17.8465 -17.8465 -16.3834 -16.3834 -7.6467 -7.6467 -2.9354 -2.9354 -2.4071 -2.4071 -2.1958 -2.1958 -1.4390 -1.4390 -1.3621 -1.3621 -0.9616 -0.9616 -0.7258 -0.7258 -0.3673 -0.3673 -0.3138 -0.3138 -0.0849 -0.0849 0.0726 0.0726 0.2132 0.2132 0.2331 0.2331 0.4548 0.4548 5.0529 5.0529 8.8202 8.8202 11.2396 11.2396 11.8798 11.8798 14.0876 14.0876 k =-0.2802 0.5737 0.4924 ( 3674 PWs) bands (ev): -22.6907 -22.6907 -22.2615 -22.2615 -20.7086 -20.7086 -20.2963 -20.2963 -20.0825 -20.0825 -19.8618 -19.8618 -19.7703 -19.7703 -18.4869 -18.4869 -17.8253 -17.8253 -16.3832 -16.3832 -7.6298 -7.6298 -2.9419 -2.9419 -2.4057 -2.4057 -2.2421 -2.2421 -1.4329 -1.4329 -1.3562 -1.3562 -0.9655 -0.9655 -0.7220 -0.7220 -0.3622 -0.3622 -0.3201 -0.3201 -0.0908 -0.0908 0.0704 0.0704 0.2134 0.2134 0.2328 0.2328 0.4573 0.4573 5.0276 5.0276 8.8736 8.8736 11.2521 11.2521 11.8737 11.8737 14.0456 14.0456 k =-0.2923 0.5698 0.5019 ( 3677 PWs) bands (ev): -22.6905 -22.6905 -22.2668 -22.2668 -20.7179 -20.7179 -20.2919 -20.2919 -20.0822 -20.0822 -19.8641 -19.8641 -19.7725 -19.7725 -18.4867 -18.4867 -17.8037 -17.8037 -16.3830 -16.3830 -7.6121 -7.6121 -2.9500 -2.9500 -2.4044 -2.4044 -2.2874 -2.2874 -1.4272 -1.4272 -1.3506 -1.3506 -0.9681 -0.9681 -0.7195 -0.7195 -0.3586 -0.3586 -0.3251 -0.3251 -0.0965 -0.0965 0.0685 0.0685 0.2132 0.2132 0.2322 0.2322 0.4599 0.4599 5.0026 5.0026 8.9272 8.9272 11.2651 11.2651 11.8677 11.8677 14.0046 14.0046 k =-0.3045 0.5659 0.5113 ( 3679 PWs) bands (ev): -22.6903 -22.6903 -22.2723 -22.2723 -20.7272 -20.7272 -20.2876 -20.2876 -20.0820 -20.0820 -19.8663 -19.8663 -19.7747 -19.7747 -18.4864 -18.4864 -17.7817 -17.7817 -16.3828 -16.3828 -7.5936 -7.5936 -2.9600 -2.9600 -2.4037 -2.4037 -2.3313 -2.3313 -1.4219 -1.4219 -1.3454 -1.3454 -0.9695 -0.9695 -0.7183 -0.7183 -0.3564 -0.3564 -0.3288 -0.3288 -0.1020 -0.1020 0.0668 0.0668 0.2125 0.2125 0.2313 0.2313 0.4627 0.4627 4.9776 4.9776 8.9807 8.9807 11.2787 11.2787 11.8617 11.8617 13.9654 13.9654 k =-0.3167 0.5619 0.5208 ( 3674 PWs) bands (ev): -22.6901 -22.6901 -22.2779 -22.2779 -20.7364 -20.7364 -20.2834 -20.2834 -20.0818 -20.0818 -19.8684 -19.8684 -19.7767 -19.7767 -18.4861 -18.4861 -17.7593 -17.7593 -16.3825 -16.3825 -7.5743 -7.5743 -2.9720 -2.9720 -2.4049 -2.4049 -2.3718 -2.3718 -1.4170 -1.4170 -1.3407 -1.3407 -0.9694 -0.9694 -0.7184 -0.7184 -0.3555 -0.3555 -0.3312 -0.3312 -0.1073 -0.1073 0.0655 0.0655 0.2115 0.2115 0.2301 0.2301 0.4657 0.4657 4.9529 4.9529 9.0341 9.0341 11.2930 11.2930 11.8555 11.8555 13.9287 13.9287 k =-0.3289 0.5580 0.5303 ( 3673 PWs) bands (ev): -22.6899 -22.6899 -22.2837 -22.2837 -20.7457 -20.7457 -20.2793 -20.2793 -20.0815 -20.0815 -19.8704 -19.8704 -19.7786 -19.7786 -18.4859 -18.4859 -17.7366 -17.7366 -16.3823 -16.3823 -7.5542 -7.5542 -2.9865 -2.9865 -2.4228 -2.4228 -2.3940 -2.3940 -1.4127 -1.4127 -1.3365 -1.3365 -0.9679 -0.9679 -0.7197 -0.7197 -0.3557 -0.3557 -0.3327 -0.3327 -0.1124 -0.1124 0.0645 0.0645 0.2101 0.2101 0.2287 0.2287 0.4687 0.4687 4.9285 4.9285 9.0871 9.0871 11.3078 11.3078 11.8492 11.8492 13.8950 13.8950 k =-0.3411 0.5541 0.5397 ( 3671 PWs) bands (ev): -22.6897 -22.6897 -22.2896 -22.2896 -20.7550 -20.7550 -20.2754 -20.2754 -20.0813 -20.0813 -19.8723 -19.8723 -19.7805 -19.7805 -18.4856 -18.4856 -17.7137 -17.7137 -16.3820 -16.3820 -7.5332 -7.5332 -3.0038 -3.0038 -2.4586 -2.4586 -2.3963 -2.3963 -1.4087 -1.4087 -1.3328 -1.3328 -0.9649 -0.9649 -0.7222 -0.7222 -0.3564 -0.3564 -0.3337 -0.3337 -0.1173 -0.1173 0.0639 0.0639 0.2084 0.2084 0.2270 0.2270 0.4718 0.4718 4.9043 4.9043 9.1396 9.1396 11.3233 11.3233 11.8426 11.8426 13.8648 13.8648 k =-0.3532 0.5502 0.5492 ( 3681 PWs) bands (ev): -22.6895 -22.6895 -22.2956 -22.2956 -20.7643 -20.7643 -20.2717 -20.2717 -20.0811 -20.0811 -19.8741 -19.8741 -19.7821 -19.7821 -18.4854 -18.4854 -17.6906 -17.6906 -16.3818 -16.3818 -7.5113 -7.5113 -3.0242 -3.0242 -2.4945 -2.4945 -2.3963 -2.3963 -1.4053 -1.4053 -1.3298 -1.3298 -0.9605 -0.9605 -0.7257 -0.7257 -0.3573 -0.3573 -0.3347 -0.3347 -0.1221 -0.1221 0.0637 0.0637 0.2064 0.2064 0.2251 0.2251 0.4749 0.4749 4.8803 4.8803 9.1914 9.1914 11.3394 11.3394 11.8358 11.8358 13.8384 13.8384 k =-0.3532 0.5502 0.5492 ( 3681 PWs) bands (ev): -22.6895 -22.6895 -22.2956 -22.2956 -20.7643 -20.7643 -20.2717 -20.2717 -20.0811 -20.0811 -19.8741 -19.8741 -19.7821 -19.7821 -18.4854 -18.4854 -17.6906 -17.6906 -16.3818 -16.3818 -7.5113 -7.5113 -3.0242 -3.0242 -2.4945 -2.4945 -2.3963 -2.3963 -1.4053 -1.4053 -1.3298 -1.3298 -0.9605 -0.9605 -0.7257 -0.7257 -0.3573 -0.3573 -0.3347 -0.3347 -0.1221 -0.1221 0.0637 0.0637 0.2064 0.2064 0.2251 0.2251 0.4749 0.4749 4.8803 4.8803 9.1914 9.1914 11.3394 11.3394 11.8358 11.8358 13.8384 13.8384 k =-0.3599 0.5355 0.5492 ( 3665 PWs) bands (ev): -22.6892 -22.6892 -22.3071 -22.3071 -20.7814 -20.7814 -20.2649 -20.2649 -20.0807 -20.0807 -19.8772 -19.8772 -19.7851 -19.7851 -18.4849 -18.4849 -17.6468 -17.6468 -16.3813 -16.3813 -7.4683 -7.4683 -3.0714 -3.0714 -2.5553 -2.5553 -2.3963 -2.3963 -1.3989 -1.3989 -1.3243 -1.3243 -0.9504 -0.9504 -0.7334 -0.7334 -0.3590 -0.3590 -0.3366 -0.3366 -0.1310 -0.1310 0.0637 0.0637 0.2023 0.2023 0.2212 0.2212 0.4806 0.4806 4.8366 4.8366 9.2864 9.2864 11.3720 11.3720 11.8232 11.8232 13.7936 13.7936 k =-0.3666 0.5208 0.5492 ( 3689 PWs) bands (ev): -22.6890 -22.6890 -22.3190 -22.3190 -20.7978 -20.7978 -20.2588 -20.2588 -20.0804 -20.0804 -19.8802 -19.8802 -19.7879 -19.7879 -18.4845 -18.4845 -17.6028 -17.6028 -16.3810 -16.3810 -7.4225 -7.4225 -3.1313 -3.1313 -2.6064 -2.6064 -2.3967 -2.3967 -1.3922 -1.3922 -1.3186 -1.3186 -0.9401 -0.9401 -0.7419 -0.7419 -0.3606 -0.3606 -0.3384 -0.3384 -0.1404 -0.1404 0.0637 0.0637 0.1977 0.1977 0.2169 0.2169 0.4861 0.4861 4.7949 4.7949 9.3784 9.3784 11.4083 11.4083 11.8112 11.8112 13.7507 13.7507 k =-0.3732 0.5061 0.5492 ( 3697 PWs) bands (ev): -22.6888 -22.6888 -22.3310 -22.3310 -20.8133 -20.8133 -20.2530 -20.2530 -20.0800 -20.0800 -19.8831 -19.8831 -19.7907 -19.7907 -18.4840 -18.4840 -17.5589 -17.5589 -16.3806 -16.3806 -7.3742 -7.3742 -3.2035 -3.2035 -2.6477 -2.6477 -2.3976 -2.3976 -1.3852 -1.3852 -1.3125 -1.3125 -0.9295 -0.9295 -0.7508 -0.7508 -0.3620 -0.3620 -0.3400 -0.3400 -0.1500 -0.1500 0.0638 0.0638 0.1928 0.1928 0.2123 0.2123 0.4914 0.4914 4.7552 4.7552 9.4666 9.4666 11.4483 11.4483 11.7999 11.7999 13.7097 13.7097 k =-0.3799 0.4915 0.5492 ( 3697 PWs) bands (ev): -22.6885 -22.6885 -22.3431 -22.3431 -20.8281 -20.8281 -20.2477 -20.2477 -20.0797 -20.0797 -19.8860 -19.8860 -19.7934 -19.7934 -18.4835 -18.4835 -17.5153 -17.5153 -16.3802 -16.3802 -7.3232 -7.3232 -3.2866 -3.2866 -2.6802 -2.6802 -2.3987 -2.3987 -1.3779 -1.3779 -1.3061 -1.3061 -0.9186 -0.9186 -0.7601 -0.7601 -0.3633 -0.3633 -0.3414 -0.3414 -0.1600 -0.1600 0.0639 0.0639 0.1877 0.1877 0.2075 0.2075 0.4965 0.4965 4.7178 4.7178 9.5505 9.5505 11.4921 11.4921 11.7892 11.7892 13.6708 13.6708 k =-0.3866 0.4768 0.5492 ( 3689 PWs) bands (ev): -22.6883 -22.6883 -22.3551 -22.3551 -20.8420 -20.8420 -20.2428 -20.2428 -20.0793 -20.0793 -19.8887 -19.8887 -19.7959 -19.7959 -18.4830 -18.4830 -17.4723 -17.4723 -16.3798 -16.3798 -7.2696 -7.2696 -3.3785 -3.3785 -2.7057 -2.7057 -2.4002 -2.4002 -1.3705 -1.3705 -1.2996 -1.2996 -0.9075 -0.9075 -0.7694 -0.7694 -0.3644 -0.3644 -0.3427 -0.3427 -0.1701 -0.1701 0.0640 0.0640 0.1825 0.1825 0.2026 0.2026 0.5012 0.5012 4.6827 4.6827 9.6296 9.6296 11.5393 11.5393 11.7792 11.7792 13.6338 13.6338 k =-0.3933 0.4621 0.5492 ( 3705 PWs) bands (ev): -22.6881 -22.6881 -22.3671 -22.3671 -20.8550 -20.8550 -20.2383 -20.2383 -20.0791 -20.0791 -19.8913 -19.8913 -19.7983 -19.7983 -18.4826 -18.4826 -17.4302 -17.4302 -16.3795 -16.3795 -7.2137 -7.2137 -3.4770 -3.4770 -2.7258 -2.7258 -2.4019 -2.4019 -1.3629 -1.3629 -1.2930 -1.2930 -0.8963 -0.8963 -0.7788 -0.7788 -0.3654 -0.3654 -0.3439 -0.3439 -0.1804 -0.1804 0.0640 0.0640 0.1770 0.1770 0.1975 0.1975 0.5058 0.5058 4.6499 4.6499 9.7036 9.7036 11.5900 11.5900 11.7697 11.7697 13.5988 13.5988 k =-0.3999 0.4474 0.5492 ( 3709 PWs) bands (ev): -22.6879 -22.6879 -22.3790 -22.3790 -20.8672 -20.8672 -20.2341 -20.2341 -20.0788 -20.0788 -19.8938 -19.8938 -19.8007 -19.8007 -18.4822 -18.4822 -17.3893 -17.3893 -16.3792 -16.3792 -7.1554 -7.1554 -3.5803 -3.5803 -2.7420 -2.7420 -2.4039 -2.4039 -1.3554 -1.3554 -1.2864 -1.2864 -0.8850 -0.8850 -0.7880 -0.7880 -0.3662 -0.3662 -0.3449 -0.3449 -0.1907 -0.1907 0.0641 0.0641 0.1715 0.1715 0.1923 0.1923 0.5101 0.5101 4.6194 4.6194 9.7722 9.7722 11.6437 11.6437 11.7608 11.7608 13.5659 13.5659 k =-0.4066 0.4327 0.5492 ( 3705 PWs) bands (ev): -22.6877 -22.6877 -22.3904 -22.3904 -20.8785 -20.8785 -20.2302 -20.2302 -20.0784 -20.0784 -19.8962 -19.8962 -19.8028 -19.8028 -18.4817 -18.4817 -17.3497 -17.3497 -16.3789 -16.3789 -7.0949 -7.0949 -3.6867 -3.6867 -2.7554 -2.7554 -2.4059 -2.4059 -1.3478 -1.3478 -1.2797 -1.2797 -0.8737 -0.8737 -0.7969 -0.7969 -0.3669 -0.3669 -0.3458 -0.3458 -0.2011 -0.2011 0.0642 0.0642 0.1659 0.1659 0.1871 0.1871 0.5141 0.5141 4.5911 4.5911 9.8353 9.8353 11.7000 11.7000 11.7524 11.7524 13.5350 13.5350 k =-0.4133 0.4181 0.5492 ( 3705 PWs) bands (ev): -22.6875 -22.6875 -22.4016 -22.4016 -20.8889 -20.8889 -20.2267 -20.2267 -20.0781 -20.0781 -19.8984 -19.8984 -19.8049 -19.8049 -18.4813 -18.4813 -17.3119 -17.3119 -16.3786 -16.3786 -7.0325 -7.0325 -3.7951 -3.7951 -2.7665 -2.7665 -2.4081 -2.4081 -1.3405 -1.3405 -1.2732 -1.2732 -0.8624 -0.8624 -0.8055 -0.8055 -0.3675 -0.3675 -0.3466 -0.3466 -0.2114 -0.2114 0.0642 0.0642 0.1604 0.1604 0.1820 0.1820 0.5179 0.5179 4.5651 4.5651 9.8929 9.8929 11.7447 11.7447 11.7584 11.7584 13.5061 13.5061 k =-0.4199 0.4034 0.5492 ( 3705 PWs) bands (ev): -22.6873 -22.6873 -22.4123 -22.4123 -20.8985 -20.8985 -20.2235 -20.2235 -20.0779 -20.0779 -19.9005 -19.9005 -19.8068 -19.8068 -18.4809 -18.4809 -17.2759 -17.2759 -16.3784 -16.3784 -6.9685 -6.9685 -3.9042 -3.9042 -2.7760 -2.7760 -2.4103 -2.4103 -1.3333 -1.3333 -1.2668 -1.2668 -0.8514 -0.8514 -0.8137 -0.8137 -0.3679 -0.3679 -0.3473 -0.3473 -0.2215 -0.2215 0.0641 0.0641 0.1549 0.1549 0.1770 0.1770 0.5214 0.5214 4.5413 4.5413 9.9451 9.9451 11.7374 11.7374 11.8183 11.8183 13.4793 13.4793 k =-0.4266 0.3887 0.5492 ( 3701 PWs) bands (ev): -22.6871 -22.6871 -22.4225 -22.4225 -20.9072 -20.9072 -20.2205 -20.2205 -20.0776 -20.0776 -19.9025 -19.9025 -19.8086 -19.8086 -18.4804 -18.4804 -17.2420 -17.2420 -16.3781 -16.3781 -6.9030 -6.9030 -4.0130 -4.0130 -2.7841 -2.7841 -2.4125 -2.4125 -1.3264 -1.3264 -1.2606 -1.2606 -0.8405 -0.8405 -0.8214 -0.8214 -0.3683 -0.3683 -0.3478 -0.3478 -0.2314 -0.2314 0.0641 0.0641 0.1496 0.1496 0.1721 0.1721 0.5246 0.5246 4.5197 4.5197 9.9920 9.9920 11.7308 11.7308 11.8790 11.8790 13.4546 13.4546 k =-0.4333 0.3740 0.5492 ( 3693 PWs) bands (ev): -22.6870 -22.6870 -22.4320 -22.4320 -20.9151 -20.9151 -20.2179 -20.2179 -20.0773 -20.0773 -19.9043 -19.9043 -19.8102 -19.8102 -18.4800 -18.4800 -17.2103 -17.2103 -16.3779 -16.3779 -6.8367 -6.8367 -4.1204 -4.1204 -2.7912 -2.7912 -2.4147 -2.4147 -1.3198 -1.3198 -1.2548 -1.2548 -0.8301 -0.8301 -0.8285 -0.8285 -0.3685 -0.3685 -0.3483 -0.3483 -0.2410 -0.2410 0.0640 0.0640 0.1445 0.1445 0.1675 0.1675 0.5276 0.5276 4.5002 4.5002 10.0337 10.0337 11.7247 11.7247 11.9397 11.9397 13.4320 13.4320 k =-0.4400 0.3593 0.5492 ( 3693 PWs) bands (ev): -22.6868 -22.6868 -22.4408 -22.4408 -20.9222 -20.9222 -20.2155 -20.2155 -20.0771 -20.0771 -19.9059 -19.9059 -19.8117 -19.8117 -18.4797 -18.4797 -17.1811 -17.1811 -16.3777 -16.3777 -6.7701 -6.7701 -4.2256 -4.2256 -2.7974 -2.7974 -2.4168 -2.4168 -1.3137 -1.3137 -1.2493 -1.2493 -0.8351 -0.8351 -0.8200 -0.8200 -0.3687 -0.3687 -0.3487 -0.3487 -0.2502 -0.2502 0.0638 0.0638 0.1396 0.1396 0.1631 0.1631 0.5303 0.5303 4.4827 4.4827 10.0705 10.0705 11.7191 11.7191 11.9994 11.9994 13.4115 13.4115 k =-0.4466 0.3446 0.5492 ( 3701 PWs) bands (ev): -22.6867 -22.6867 -22.4490 -22.4490 -20.9285 -20.9285 -20.2134 -20.2134 -20.0770 -20.0770 -19.9074 -19.9074 -19.8131 -19.8131 -18.4794 -18.4794 -17.1545 -17.1545 -16.3775 -16.3775 -6.7040 -6.7040 -4.3272 -4.3272 -2.8027 -2.8027 -2.4188 -2.4188 -1.3080 -1.3080 -1.2442 -1.2442 -0.8411 -0.8411 -0.8106 -0.8106 -0.3687 -0.3687 -0.3491 -0.3491 -0.2588 -0.2588 0.0637 0.0637 0.1351 0.1351 0.1590 0.1590 0.5327 0.5327 4.4672 4.4672 10.1027 10.1027 11.7141 11.7141 12.0572 12.0572 13.3932 13.3932 k =-0.4533 0.3300 0.5492 ( 3705 PWs) bands (ev): -22.6866 -22.6866 -22.4563 -22.4563 -20.9340 -20.9340 -20.2116 -20.2116 -20.0768 -20.0768 -19.9087 -19.9087 -19.8143 -19.8143 -18.4792 -18.4792 -17.1307 -17.1307 -16.3774 -16.3774 -6.6392 -6.6392 -4.4241 -4.4241 -2.8073 -2.8073 -2.4206 -2.4206 -1.3029 -1.3029 -1.2396 -1.2396 -0.8464 -0.8464 -0.8018 -0.8018 -0.3688 -0.3688 -0.3494 -0.3494 -0.2668 -0.2668 0.0635 0.0635 0.1309 0.1309 0.1553 0.1553 0.5349 0.5349 4.4537 4.4537 10.1304 10.1304 11.7097 11.7097 12.1120 12.1120 13.3769 13.3769 k =-0.4600 0.3153 0.5492 ( 3697 PWs) bands (ev): -22.6865 -22.6865 -22.4627 -22.4627 -20.9387 -20.9387 -20.2100 -20.2100 -20.0766 -20.0766 -19.9099 -19.9099 -19.8153 -19.8153 -18.4789 -18.4789 -17.1098 -17.1098 -16.3772 -16.3772 -6.5769 -6.5769 -4.5146 -4.5146 -2.8113 -2.8113 -2.4223 -2.4223 -1.2983 -1.2983 -1.2355 -1.2355 -0.8510 -0.8510 -0.7939 -0.7939 -0.3688 -0.3688 -0.3497 -0.3497 -0.2740 -0.2740 0.0633 0.0633 0.1273 0.1273 0.1520 0.1520 0.5367 0.5367 4.4421 4.4421 10.1539 10.1539 11.7058 11.7058 12.1627 12.1627 13.3628 13.3628 k =-0.4666 0.3006 0.5492 ( 3697 PWs) bands (ev): -22.6864 -22.6864 -22.4682 -22.4682 -20.9427 -20.9427 -20.2087 -20.2087 -20.0765 -20.0765 -19.9108 -19.9108 -19.8162 -19.8162 -18.4787 -18.4787 -17.0919 -17.0919 -16.3771 -16.3771 -6.5188 -6.5188 -4.5971 -4.5971 -2.8145 -2.8145 -2.4237 -2.4237 -1.2943 -1.2943 -1.2319 -1.2319 -0.8550 -0.8550 -0.7868 -0.7868 -0.3687 -0.3687 -0.3499 -0.3499 -0.2802 -0.2802 0.0632 0.0632 0.1240 0.1240 0.1492 0.1492 0.5383 0.5383 4.4323 4.4323 10.1734 10.1734 11.7025 11.7025 12.2082 12.2082 13.3509 13.3509 k =-0.4733 0.2859 0.5492 ( 3697 PWs) bands (ev): -22.6864 -22.6864 -22.4728 -22.4728 -20.9459 -20.9459 -20.2076 -20.2076 -20.0764 -20.0764 -19.9116 -19.9116 -19.8169 -19.8169 -18.4785 -18.4785 -17.0771 -17.0771 -16.3770 -16.3770 -6.4666 -6.4666 -4.6695 -4.6695 -2.8172 -2.8172 -2.4249 -2.4249 -1.2911 -1.2911 -1.2290 -1.2290 -0.8582 -0.8582 -0.7809 -0.7809 -0.3687 -0.3687 -0.3502 -0.3502 -0.2856 -0.2856 0.0630 0.0630 0.1213 0.1213 0.1468 0.1468 0.5396 0.5396 4.4244 4.4244 10.1891 10.1891 11.6998 11.6998 12.2475 12.2475 13.3411 13.3411 k =-0.4800 0.2712 0.5492 ( 3693 PWs) bands (ev): -22.6863 -22.6863 -22.4764 -22.4764 -20.9484 -20.9484 -20.2067 -20.2067 -20.0763 -20.0763 -19.9123 -19.9123 -19.8175 -19.8175 -18.4784 -18.4784 -17.0655 -17.0655 -16.3769 -16.3769 -6.4225 -6.4225 -4.7296 -4.7296 -2.8193 -2.8193 -2.4259 -2.4259 -1.2885 -1.2885 -1.2266 -1.2266 -0.8608 -0.8608 -0.7762 -0.7762 -0.3686 -0.3686 -0.3504 -0.3504 -0.2898 -0.2898 0.0629 0.0629 0.1192 0.1192 0.1449 0.1449 0.5406 0.5406 4.4183 4.4183 10.2012 10.2012 11.6977 11.6977 12.2793 12.2793 13.3335 13.3335 k =-0.4867 0.2566 0.5492 ( 3685 PWs) bands (ev): -22.6863 -22.6863 -22.4789 -22.4789 -20.9502 -20.9502 -20.2061 -20.2061 -20.0762 -20.0762 -19.9127 -19.9127 -19.8179 -19.8179 -18.4782 -18.4782 -17.0572 -17.0572 -16.3769 -16.3769 -6.3887 -6.3887 -4.7748 -4.7748 -2.8207 -2.8207 -2.4266 -2.4266 -1.2866 -1.2866 -1.2249 -1.2249 -0.8626 -0.8626 -0.7727 -0.7727 -0.3685 -0.3685 -0.3505 -0.3505 -0.2928 -0.2928 0.0628 0.0628 0.1176 0.1176 0.1436 0.1436 0.5413 0.5413 4.4139 4.4139 10.2097 10.2097 11.6962 11.6962 12.3028 12.3028 13.3281 13.3281 k =-0.4933 0.2419 0.5492 ( 3685 PWs) bands (ev): -22.6863 -22.6863 -22.4805 -22.4805 -20.9513 -20.9513 -20.2057 -20.2057 -20.0762 -20.0762 -19.9130 -19.9130 -19.8182 -19.8182 -18.4782 -18.4782 -17.0522 -17.0522 -16.3768 -16.3768 -6.3674 -6.3674 -4.8030 -4.8030 -2.8216 -2.8216 -2.4270 -2.4270 -1.2855 -1.2855 -1.2239 -1.2239 -0.8637 -0.8637 -0.7706 -0.7706 -0.3685 -0.3685 -0.3506 -0.3506 -0.2947 -0.2947 0.0627 0.0627 0.1167 0.1167 0.1427 0.1427 0.5418 0.5418 4.4113 4.4113 10.2148 10.2148 11.6953 11.6953 12.3172 12.3172 13.3248 13.3248 k =-0.5000 0.2272 0.5492 ( 3676 PWs) bands (ev): -22.6863 -22.6863 -22.4810 -22.4810 -20.9516 -20.9516 -20.2056 -20.2056 -20.0761 -20.0761 -19.9131 -19.9131 -19.8182 -19.8182 -18.4781 -18.4781 -17.0504 -17.0504 -16.3768 -16.3768 -6.3601 -6.3601 -4.8126 -4.8126 -2.8219 -2.8219 -2.4271 -2.4271 -1.2851 -1.2851 -1.2236 -1.2236 -0.8640 -0.8640 -0.7698 -0.7698 -0.3685 -0.3685 -0.3507 -0.3507 -0.2953 -0.2953 0.0627 0.0627 0.1164 0.1164 0.1425 0.1425 0.5419 0.5419 4.4104 4.4104 10.2165 10.2165 11.6950 11.6950 12.3221 12.3221 13.3237 13.3237 k = 0.0000 0.0000 0.5492 ( 3668 PWs) bands (ev): -22.6949 -22.6949 -22.4820 -22.4820 -21.0404 -21.0404 -20.2166 -20.2166 -20.0790 -20.0790 -19.9037 -19.9037 -19.6811 -19.6811 -18.4793 -18.4793 -17.0601 -17.0601 -16.3789 -16.3789 -6.2751 -6.2751 -4.7658 -4.7658 -3.1663 -3.1663 -2.4684 -2.4684 -1.3701 -1.3701 -1.0055 -1.0055 -0.7201 -0.7201 -0.6044 -0.6044 -0.5801 -0.5801 -0.3124 -0.3124 -0.1580 -0.1580 0.0174 0.0174 0.0282 0.0282 0.1732 0.1732 0.4498 0.4498 4.2297 4.2297 10.0012 10.0012 11.5053 11.5053 13.1462 13.1462 13.2347 13.2347 k = 0.0066 0.0145 0.5492 ( 3666 PWs) bands (ev): -22.6949 -22.6949 -22.4815 -22.4815 -21.0399 -21.0399 -20.2167 -20.2167 -20.0790 -20.0790 -19.9036 -19.9036 -19.6811 -19.6811 -18.4793 -18.4793 -17.0617 -17.0617 -16.3789 -16.3789 -6.2829 -6.2829 -4.7556 -4.7556 -3.1657 -3.1657 -2.4683 -2.4683 -1.3704 -1.3704 -1.0067 -1.0067 -0.7231 -0.7231 -0.6025 -0.6025 -0.5784 -0.5784 -0.3121 -0.3121 -0.1580 -0.1580 0.0154 0.0154 0.0301 0.0301 0.1736 0.1736 0.4498 0.4498 4.2307 4.2307 10.0003 10.0003 11.5026 11.5026 13.1353 13.1353 13.2462 13.2462 k = 0.0132 0.0290 0.5492 ( 3664 PWs) bands (ev): -22.6949 -22.6949 -22.4800 -22.4800 -21.0387 -21.0387 -20.2169 -20.2169 -20.0790 -20.0790 -19.9033 -19.9033 -19.6814 -19.6814 -18.4794 -18.4794 -17.0665 -17.0665 -16.3789 -16.3789 -6.3057 -6.3057 -4.7257 -4.7257 -3.1638 -3.1638 -2.4678 -2.4678 -1.3716 -1.3716 -1.0105 -1.0105 -0.7315 -0.7315 -0.5975 -0.5975 -0.5732 -0.5732 -0.3115 -0.3115 -0.1581 -0.1581 0.0112 0.0112 0.0341 0.0341 0.1748 0.1748 0.4500 0.4500 4.2336 4.2336 9.9978 9.9978 11.4948 11.4948 13.1112 13.1112 13.2721 13.2721 k = 0.0197 0.0434 0.5492 ( 3668 PWs) bands (ev): -22.6949 -22.6949 -22.4776 -22.4776 -21.0366 -21.0366 -20.2173 -20.2173 -20.0791 -20.0791 -19.9029 -19.9029 -19.6817 -19.6817 -18.4795 -18.4795 -17.0745 -17.0745 -16.3789 -16.3789 -6.3417 -6.3417 -4.6779 -4.6779 -3.1607 -3.1607 -2.4670 -2.4670 -1.3734 -1.3734 -1.0167 -1.0167 -0.7436 -0.7436 -0.5908 -0.5908 -0.5648 -0.5648 -0.3104 -0.3104 -0.1581 -0.1581 0.0062 0.0062 0.0385 0.0385 0.1768 0.1768 0.4502 0.4502 4.2385 4.2385 9.9935 9.9935 11.4819 11.4819 13.0823 13.0823 13.3040 13.3040 k = 0.0263 0.0579 0.5492 ( 3676 PWs) bands (ev): -22.6949 -22.6949 -22.4741 -22.4741 -21.0338 -21.0338 -20.2179 -20.2179 -20.0792 -20.0792 -19.9022 -19.9022 -19.6822 -19.6822 -18.4796 -18.4796 -17.0856 -17.0856 -16.3790 -16.3790 -6.3885 -6.3885 -4.6147 -4.6147 -3.1563 -3.1563 -2.4659 -2.4659 -1.3760 -1.3760 -1.0250 -1.0250 -0.7584 -0.7584 -0.5832 -0.5832 -0.5539 -0.5539 -0.3090 -0.3090 -0.1580 -0.1580 0.0010 0.0010 0.0431 0.0431 0.1795 0.1795 0.4506 0.4506 4.2454 4.2454 9.9873 9.9873 11.4642 11.4642 13.0514 13.0514 13.3391 13.3391 k = 0.0329 0.0724 0.5492 ( 3688 PWs) bands (ev): -22.6949 -22.6949 -22.4698 -22.4698 -21.0300 -21.0300 -20.2188 -20.2188 -20.0793 -20.0793 -19.9014 -19.9014 -19.6829 -19.6829 -18.4798 -18.4798 -17.0997 -17.0997 -16.3790 -16.3790 -6.4436 -6.4436 -4.5388 -4.5388 -3.1505 -3.1505 -2.4646 -2.4646 -1.3793 -1.3793 -1.0352 -1.0352 -0.7747 -0.7747 -0.5751 -0.5751 -0.5414 -0.5414 -0.3072 -0.3072 -0.1576 -0.1576 -0.0046 -0.0046 0.0477 0.0477 0.1829 0.1829 0.4510 0.4510 4.2543 4.2543 9.9790 9.9790 11.4421 11.4421 13.0190 13.0190 13.3768 13.3768 k = 0.0395 0.0869 0.5492 ( 3692 PWs) bands (ev): -22.6949 -22.6949 -22.4644 -22.4644 -21.0255 -21.0255 -20.2197 -20.2197 -20.0794 -20.0794 -19.9005 -19.9005 -19.6836 -19.6836 -18.4800 -18.4800 -17.1168 -17.1168 -16.3791 -16.3791 -6.5048 -6.5048 -4.4527 -4.4527 -3.1433 -3.1433 -2.4630 -2.4630 -1.3832 -1.3832 -1.0470 -1.0470 -0.7920 -0.7920 -0.5666 -0.5666 -0.5282 -0.5282 -0.3052 -0.3052 -0.1569 -0.1569 -0.0103 -0.0103 0.0524 0.0524 0.1870 0.1870 0.4515 0.4515 4.2652 4.2652 9.9683 9.9683 11.4160 11.4160 12.9853 12.9853 13.4167 13.4167 k = 0.0461 0.1013 0.5492 ( 3688 PWs) bands (ev): -22.6948 -22.6948 -22.4582 -22.4582 -21.0200 -21.0200 -20.2208 -20.2208 -20.0795 -20.0795 -19.8993 -19.8993 -19.6845 -19.6845 -18.4802 -18.4802 -17.1368 -17.1368 -16.3791 -16.3791 -6.5699 -6.5699 -4.3587 -4.3587 -3.1345 -3.1345 -2.4611 -2.4611 -1.3877 -1.3877 -1.0602 -1.0602 -0.8099 -0.8099 -0.5578 -0.5578 -0.5146 -0.5146 -0.3030 -0.3030 -0.1555 -0.1555 -0.0163 -0.0163 0.0571 0.0571 0.1916 0.1916 0.4521 0.4521 4.2782 4.2782 9.9551 9.9551 11.3866 11.3866 12.9503 12.9503 13.4589 13.4589 k = 0.0526 0.1158 0.5492 ( 3692 PWs) bands (ev): -22.6948 -22.6948 -22.4512 -22.4512 -21.0137 -21.0137 -20.2222 -20.2222 -20.0797 -20.0797 -19.8980 -19.8980 -19.6856 -19.6856 -18.4805 -18.4805 -17.1596 -17.1596 -16.3791 -16.3791 -6.6375 -6.6375 -4.2586 -4.2586 -3.1241 -3.1241 -2.4590 -2.4590 -1.3928 -1.3928 -1.0744 -1.0744 -0.8282 -0.8282 -0.5490 -0.5490 -0.5011 -0.5011 -0.3008 -0.3008 -0.1533 -0.1533 -0.0224 -0.0224 0.0618 0.0618 0.1967 0.1967 0.4528 0.4528 4.2933 4.2933 9.9389 9.9389 11.3543 11.3543 12.9139 12.9139 13.5034 13.5034 k = 0.0592 0.1303 0.5492 ( 3682 PWs) bands (ev): -22.6948 -22.6948 -22.4433 -22.4433 -21.0065 -21.0065 -20.2237 -20.2237 -20.0798 -20.0798 -19.8966 -19.8966 -19.6868 -19.6868 -18.4807 -18.4807 -17.1851 -17.1851 -16.3792 -16.3792 -6.7064 -6.7064 -4.1542 -4.1542 -3.1117 -3.1117 -2.4566 -2.4566 -1.3984 -1.3984 -1.0895 -1.0895 -0.8467 -0.8467 -0.5404 -0.5404 -0.4878 -0.4878 -0.2989 -0.2989 -0.1500 -0.1500 -0.0288 -0.0288 0.0666 0.0666 0.2023 0.2023 0.4535 0.4535 4.3106 4.3106 9.9194 9.9194 11.3200 11.3200 12.8761 12.8761 13.5502 13.5502 k = 0.0658 0.1448 0.5492 ( 3682 PWs) bands (ev): -22.6947 -22.6947 -22.4348 -22.4348 -20.9984 -20.9984 -20.2254 -20.2254 -20.0800 -20.0800 -19.8949 -19.8949 -19.6881 -19.6881 -18.4811 -18.4811 -17.2131 -17.2131 -16.3792 -16.3792 -6.7755 -6.7755 -4.0470 -4.0470 -3.0972 -3.0972 -2.4541 -2.4541 -1.4045 -1.4045 -1.1053 -1.1053 -0.8652 -0.8652 -0.5321 -0.5321 -0.4749 -0.4749 -0.2973 -0.2973 -0.1455 -0.1455 -0.0353 -0.0353 0.0713 0.0713 0.2082 0.2082 0.4543 0.4543 4.3301 4.3301 9.8960 9.8960 11.2844 11.2844 12.8368 12.8368 13.5994 13.5994 k = 0.0724 0.1593 0.5492 ( 3684 PWs) bands (ev): -22.6947 -22.6947 -22.4255 -22.4255 -20.9895 -20.9895 -20.2273 -20.2273 -20.0801 -20.0801 -19.8932 -19.8932 -19.6895 -19.6895 -18.4814 -18.4814 -17.2434 -17.2434 -16.3793 -16.3793 -6.8442 -6.8442 -3.9385 -3.9385 -3.0801 -3.0801 -2.4514 -2.4514 -1.4109 -1.4109 -1.1216 -1.1216 -0.8837 -0.8837 -0.5243 -0.5243 -0.4626 -0.4626 -0.2964 -0.2964 -0.1394 -0.1394 -0.0421 -0.0421 0.0760 0.0760 0.2143 0.2143 0.4551 0.4551 4.3519 4.3519 9.8684 9.8684 11.2481 11.2481 12.7960 12.7960 13.6509 13.6509 k = 0.0789 0.1737 0.5492 ( 3688 PWs) bands (ev): -22.6946 -22.6946 -22.4157 -22.4157 -20.9796 -20.9796 -20.2295 -20.2295 -20.0803 -20.0803 -19.8913 -19.8913 -19.6911 -19.6911 -18.4818 -18.4818 -17.2760 -17.2760 -16.3793 -16.3793 -6.9118 -6.9118 -3.8302 -3.8302 -3.0596 -3.0596 -2.4486 -2.4486 -1.4176 -1.4176 -1.1382 -1.1382 -0.9020 -0.9020 -0.5171 -0.5171 -0.4507 -0.4507 -0.2961 -0.2961 -0.1318 -0.1318 -0.0490 -0.0490 0.0806 0.0806 0.2206 0.2206 0.4560 0.4560 4.3760 4.3760 9.8362 9.8362 11.2120 11.2120 12.7538 12.7538 13.7047 13.7047 k = 0.0855 0.1882 0.5492 ( 3688 PWs) bands (ev): -22.6946 -22.6946 -22.4053 -22.4053 -20.9687 -20.9687 -20.2319 -20.2319 -20.0805 -20.0805 -19.8892 -19.8892 -19.6927 -19.6927 -18.4822 -18.4822 -17.3106 -17.3106 -16.3794 -16.3794 -6.9780 -6.9780 -3.7239 -3.7239 -3.0349 -3.0349 -2.4456 -2.4456 -1.4246 -1.4246 -1.1550 -1.1550 -0.9200 -0.9200 -0.5106 -0.5106 -0.4395 -0.4395 -0.2967 -0.2967 -0.1225 -0.1225 -0.0561 -0.0561 0.0852 0.0852 0.2270 0.2270 0.4568 0.4568 4.4026 4.4026 9.7987 9.7987 11.1769 11.1769 12.7103 12.7103 13.7608 13.7608 k = 0.0921 0.2027 0.5492 ( 3688 PWs) bands (ev): -22.6945 -22.6945 -22.3945 -22.3945 -20.9570 -20.9570 -20.2346 -20.2346 -20.0807 -20.0807 -19.8870 -19.8870 -19.6945 -19.6945 -18.4826 -18.4826 -17.3470 -17.3470 -16.3795 -16.3795 -7.0423 -7.0423 -3.6216 -3.6216 -3.0047 -3.0047 -2.4424 -2.4424 -1.4318 -1.4318 -1.1720 -1.1720 -0.9378 -0.9378 -0.5046 -0.5046 -0.4289 -0.4289 -0.2981 -0.2981 -0.1118 -0.1118 -0.0633 -0.0633 0.0897 0.0897 0.2334 0.2334 0.4577 0.4577 4.4316 4.4316 9.7557 9.7557 11.1434 11.1434 12.6654 12.6654 13.8193 13.8193 k = 0.0987 0.2172 0.5492 ( 3684 PWs) bands (ev): -22.6945 -22.6945 -22.3833 -22.3833 -20.9443 -20.9443 -20.2375 -20.2375 -20.0809 -20.0809 -19.8847 -19.8847 -19.6964 -19.6964 -18.4830 -18.4830 -17.3851 -17.3851 -16.3795 -16.3795 -7.1046 -7.1046 -3.5258 -3.5258 -2.9672 -2.9672 -2.4390 -2.4390 -1.4390 -1.4390 -1.1890 -1.1890 -0.9551 -0.9551 -0.4993 -0.4993 -0.4189 -0.4189 -0.3003 -0.3003 -0.1002 -0.1002 -0.0702 -0.0702 0.0941 0.0941 0.2398 0.2398 0.4586 0.4586 4.4632 4.4632 9.7069 9.7069 11.1122 11.1122 12.6195 12.6195 13.8799 13.8799 k = 0.1053 0.2317 0.5492 ( 3688 PWs) bands (ev): -22.6944 -22.6944 -22.3718 -22.3718 -20.9306 -20.9306 -20.2406 -20.2406 -20.0811 -20.0811 -19.8823 -19.8823 -19.6984 -19.6984 -18.4834 -18.4834 -17.4246 -17.4246 -16.3796 -16.3796 -7.1646 -7.1646 -3.4391 -3.4391 -2.9206 -2.9206 -2.4352 -2.4352 -1.4463 -1.4463 -1.2059 -1.2059 -0.9721 -0.9721 -0.4946 -0.4946 -0.4096 -0.4096 -0.3033 -0.3033 -0.0899 -0.0899 -0.0746 -0.0746 0.0984 0.0984 0.2461 0.2461 0.4595 0.4595 4.4972 4.4972 9.6521 9.6521 11.0838 11.0838 12.5725 12.5725 13.9427 13.9427 k = 0.1118 0.2461 0.5492 ( 3690 PWs) bands (ev): -22.6944 -22.6944 -22.3601 -22.3601 -20.9161 -20.9161 -20.2441 -20.2441 -20.0813 -20.0813 -19.8798 -19.8798 -19.7005 -19.7005 -18.4838 -18.4838 -17.4652 -17.4652 -16.3796 -16.3796 -7.2222 -7.2222 -3.3639 -3.3639 -2.8634 -2.8634 -2.4310 -2.4310 -1.4535 -1.4535 -1.2227 -1.2227 -0.9885 -0.9885 -0.4903 -0.4903 -0.4009 -0.4009 -0.3069 -0.3069 -0.0908 -0.0908 -0.0671 -0.0671 0.1024 0.1024 0.2521 0.2521 0.4603 0.4603 4.5339 4.5339 9.5912 9.5912 11.0585 11.0585 12.5247 12.5247 14.0076 14.0076 k = 0.1184 0.2606 0.5492 ( 3682 PWs) bands (ev): -22.6943 -22.6943 -22.3482 -22.3482 -20.9006 -20.9006 -20.2479 -20.2479 -20.0815 -20.0815 -19.8772 -19.8772 -19.7026 -19.7026 -18.4843 -18.4843 -17.5068 -17.5068 -16.3797 -16.3797 -7.2772 -7.2772 -3.3010 -3.3010 -2.7957 -2.7957 -2.4257 -2.4257 -1.4605 -1.4605 -1.2393 -1.2393 -1.0044 -1.0044 -0.4866 -0.4866 -0.3928 -0.3928 -0.3110 -0.3110 -0.0979 -0.0979 -0.0526 -0.0526 0.1063 0.1063 0.2579 0.2579 0.4612 0.4612 4.5732 4.5732 9.5244 9.5244 11.0366 11.0366 12.4763 12.4763 14.0744 14.0744 k = 0.1250 0.2751 0.5492 ( 3686 PWs) bands (ev): -22.6943 -22.6943 -22.3364 -22.3364 -20.8842 -20.8842 -20.2521 -20.2521 -20.0817 -20.0817 -19.8745 -19.8745 -19.7049 -19.7049 -18.4847 -18.4847 -17.5491 -17.5491 -16.3797 -16.3797 -7.3297 -7.3297 -3.2497 -3.2497 -2.7199 -2.7199 -2.4184 -2.4184 -1.4673 -1.4673 -1.2556 -1.2556 -1.0197 -1.0197 -0.4832 -0.4832 -0.3855 -0.3855 -0.3156 -0.3156 -0.1062 -0.1062 -0.0365 -0.0365 0.1100 0.1100 0.2634 0.2634 0.4620 0.4620 4.6151 4.6151 9.4520 9.4520 11.0182 11.0182 12.4275 12.4275 14.1429 14.1429 k = 0.1316 0.2896 0.5492 ( 3694 PWs) bands (ev): -22.6942 -22.6942 -22.3245 -22.3245 -20.8669 -20.8669 -20.2566 -20.2566 -20.0820 -20.0820 -19.8717 -19.8717 -19.7072 -19.7072 -18.4852 -18.4852 -17.5918 -17.5918 -16.3798 -16.3798 -7.3794 -7.3794 -3.2080 -3.2080 -2.6410 -2.6410 -2.4067 -2.4067 -1.4738 -1.4738 -1.2717 -1.2717 -1.0343 -1.0343 -0.4801 -0.4801 -0.3787 -0.3787 -0.3206 -0.3206 -0.1150 -0.1150 -0.0198 -0.0198 0.1133 0.1133 0.2686 0.2686 0.4628 0.4628 4.6595 4.6595 9.3743 9.3743 11.0033 11.0033 12.3784 12.3784 14.2131 14.2131 k = 0.1382 0.3040 0.5492 ( 3690 PWs) bands (ev): -22.6942 -22.6942 -22.3128 -22.3128 -20.8488 -20.8488 -20.2615 -20.2615 -20.0822 -20.0822 -19.8689 -19.8689 -19.7096 -19.7096 -18.4856 -18.4856 -17.6347 -17.6347 -16.3799 -16.3799 -7.4264 -7.4264 -3.1736 -3.1736 -2.5678 -2.5678 -2.3845 -2.3845 -1.4799 -1.4799 -1.2875 -1.2875 -1.0482 -1.0482 -0.4772 -0.4772 -0.3726 -0.3726 -0.3258 -0.3258 -0.1243 -0.1243 -0.0025 -0.0025 0.1164 0.1164 0.2732 0.2732 0.4636 0.4636 4.7064 4.7064 9.2919 9.2919 10.9916 10.9916 12.3294 12.3294 14.2845 14.2845 k = 0.1447 0.3185 0.5492 ( 3706 PWs) bands (ev): -22.6942 -22.6942 -22.3013 -22.3013 -20.8299 -20.8299 -20.2669 -20.2669 -20.0824 -20.0824 -19.8661 -19.8661 -19.7121 -19.7121 -18.4861 -18.4861 -17.6774 -17.6774 -16.3800 -16.3800 -7.4707 -7.4707 -3.1445 -3.1445 -2.5140 -2.5140 -2.3409 -2.3409 -1.4855 -1.4855 -1.3029 -1.3029 -1.0614 -1.0614 -0.4746 -0.4746 -0.3672 -0.3672 -0.3313 -0.3313 -0.1339 -0.1339 0.0150 0.0150 0.1192 0.1192 0.2774 0.2774 0.4643 0.4643 4.7557 4.7557 9.2054 9.2054 10.9832 10.9832 12.2807 12.2807 14.3568 14.3568 k = 0.1513 0.3330 0.5492 ( 3712 PWs) bands (ev): -22.6941 -22.6941 -22.2902 -22.2902 -20.8103 -20.8103 -20.2726 -20.2726 -20.0826 -20.0826 -19.8632 -19.8632 -19.7145 -19.7145 -18.4865 -18.4865 -17.7197 -17.7197 -16.3800 -16.3800 -7.5122 -7.5122 -3.1193 -3.1193 -2.4849 -2.4849 -2.2724 -2.2724 -1.4906 -1.4906 -1.3180 -1.3180 -1.0737 -1.0737 -0.4721 -0.4721 -0.3625 -0.3625 -0.3367 -0.3367 -0.1439 -0.1439 0.0325 0.0325 0.1216 0.1216 0.2810 0.2810 0.4650 0.4650 4.8073 4.8073 9.1156 9.1156 10.9777 10.9777 12.2324 12.2324 14.4294 14.4294 k = 0.1579 0.3475 0.5492 ( 3712 PWs) bands (ev): -22.6941 -22.6941 -22.2793 -22.2793 -20.7901 -20.7901 -20.2789 -20.2789 -20.0827 -20.0827 -19.8603 -19.8603 -19.7170 -19.7170 -18.4869 -18.4869 -17.7613 -17.7613 -16.3801 -16.3801 -7.5509 -7.5509 -3.0969 -3.0969 -2.4711 -2.4711 -2.1901 -2.1901 -1.4951 -1.4951 -1.3326 -1.3326 -1.0852 -1.0852 -0.4696 -0.4696 -0.3586 -0.3586 -0.3419 -0.3419 -0.1543 -0.1543 0.0501 0.0501 0.1238 0.1238 0.2841 0.2841 0.4657 0.4657 4.8609 4.8609 9.0233 9.0233 10.9748 10.9748 12.1850 12.1850 14.5013 14.5013 k = 0.1645 0.3620 0.5492 ( 3712 PWs) bands (ev): -22.6940 -22.6940 -22.2689 -22.2689 -20.7692 -20.7692 -20.2857 -20.2857 -20.0829 -20.0829 -19.8573 -19.8573 -19.7195 -19.7195 -18.4873 -18.4873 -17.8019 -17.8019 -16.3801 -16.3801 -7.5869 -7.5869 -3.0767 -3.0767 -2.4643 -2.4643 -2.1035 -2.1035 -1.4989 -1.4989 -1.3467 -1.3467 -1.0956 -1.0956 -0.4671 -0.4671 -0.3568 -0.3568 -0.3457 -0.3457 -0.1651 -0.1651 0.0675 0.0675 0.1256 0.1256 0.2865 0.2865 0.4663 0.4663 4.9162 4.9162 8.9292 8.9292 10.9744 10.9744 12.1386 12.1386 14.5710 14.5710 k = 0.1711 0.3764 0.5492 ( 3708 PWs) bands (ev): -22.6940 -22.6940 -22.2590 -22.2590 -20.7480 -20.7480 -20.2930 -20.2930 -20.0830 -20.0830 -19.8545 -19.8545 -19.7220 -19.7220 -18.4877 -18.4877 -17.8411 -17.8411 -16.3801 -16.3801 -7.6201 -7.6201 -3.0583 -3.0583 -2.4609 -2.4609 -2.0171 -2.0171 -1.5020 -1.5020 -1.3604 -1.3604 -1.1051 -1.1051 -0.4647 -0.4647 -0.3589 -0.3589 -0.3460 -0.3460 -0.1763 -0.1763 0.0846 0.0846 0.1271 0.1271 0.2882 0.2882 0.4668 0.4668 4.9728 4.9728 8.8344 8.8344 10.9760 10.9760 12.0935 12.0935 14.6363 14.6363 k = 0.1776 0.3909 0.5492 ( 3704 PWs) bands (ev): -22.6939 -22.6939 -22.2497 -22.2497 -20.7264 -20.7264 -20.3008 -20.3008 -20.0831 -20.0831 -19.8516 -19.8516 -19.7244 -19.7244 -18.4881 -18.4881 -17.8787 -17.8787 -16.3801 -16.3801 -7.6506 -7.6506 -3.0414 -3.0414 -2.4594 -2.4594 -1.9334 -1.9334 -1.5043 -1.5043 -1.3736 -1.3736 -1.1135 -1.1135 -0.4621 -0.4621 -0.3638 -0.3638 -0.3439 -0.3439 -0.1878 -0.1878 0.1014 0.1014 0.1284 0.1284 0.2892 0.2892 0.4674 0.4674 5.0304 5.0304 8.7398 8.7398 10.9794 10.9794 12.0500 12.0500 14.6939 14.6939 k = 0.1842 0.4054 0.5492 ( 3700 PWs) bands (ev): -22.6938 -22.6938 -22.2410 -22.2410 -20.7046 -20.7046 -20.3093 -20.3093 -20.0833 -20.0833 -19.8489 -19.8489 -19.7268 -19.7268 -18.4884 -18.4884 -17.9144 -17.9144 -16.3802 -16.3802 -7.6783 -7.6783 -3.0259 -3.0259 -2.4590 -2.4590 -1.8539 -1.8539 -1.5057 -1.5057 -1.3862 -1.3862 -1.1207 -1.1207 -0.4595 -0.4595 -0.3694 -0.3694 -0.3414 -0.3414 -0.1998 -0.1998 0.1178 0.1178 0.1294 0.1294 0.2895 0.2895 0.4679 0.4679 5.0883 5.0883 8.6465 8.6465 10.9843 10.9843 12.0085 12.0085 14.7400 14.7400 k = 0.1908 0.4199 0.5492 ( 3700 PWs) bands (ev): -22.6938 -22.6938 -22.2330 -22.2330 -20.6829 -20.6829 -20.3183 -20.3183 -20.0834 -20.0834 -19.8462 -19.8462 -19.7291 -19.7291 -18.4887 -18.4887 -17.9478 -17.9478 -16.3802 -16.3802 -7.7033 -7.7033 -3.0117 -3.0117 -2.4594 -2.4594 -1.7798 -1.7798 -1.5062 -1.5062 -1.3983 -1.3983 -1.1266 -1.1266 -0.4568 -0.4568 -0.3752 -0.3752 -0.3389 -0.3389 -0.2120 -0.2120 0.1298 0.1298 0.1339 0.1339 0.2890 0.2890 0.4683 0.4683 5.1457 5.1457 8.5556 8.5556 10.9903 10.9903 11.9691 11.9691 14.7725 14.7725 k = 0.1974 0.4344 0.5492 ( 3706 PWs) bands (ev): -22.6938 -22.6938 -22.2257 -22.2257 -20.6613 -20.6613 -20.3278 -20.3278 -20.0835 -20.0835 -19.8437 -19.8437 -19.7313 -19.7313 -18.4890 -18.4890 -17.9786 -17.9786 -16.3802 -16.3802 -7.7256 -7.7256 -2.9987 -2.9987 -2.4603 -2.4603 -1.7120 -1.7120 -1.5056 -1.5056 -1.4096 -1.4096 -1.1311 -1.1311 -0.4540 -0.4540 -0.3811 -0.3811 -0.3364 -0.3364 -0.2243 -0.2243 0.1305 0.1305 0.1490 0.1490 0.2876 0.2876 0.4687 0.4687 5.2020 5.2020 8.4683 8.4683 10.9972 10.9972 11.9324 11.9324 14.7927 14.7927 k = 0.2039 0.4488 0.5492 ( 3706 PWs) bands (ev): -22.6938 -22.6938 -22.2192 -22.2192 -20.6401 -20.6401 -20.3379 -20.3379 -20.0836 -20.0836 -19.8414 -19.8414 -19.7334 -19.7334 -18.4893 -18.4893 -18.0066 -18.0066 -16.3802 -16.3802 -7.7453 -7.7453 -2.9871 -2.9871 -2.4616 -2.4616 -1.6519 -1.6519 -1.5037 -1.5037 -1.4202 -1.4202 -1.1342 -1.1342 -0.4509 -0.4509 -0.3869 -0.3869 -0.3340 -0.3340 -0.2367 -0.2367 0.1308 0.1308 0.1637 0.1637 0.2854 0.2854 0.4690 0.4690 5.2560 5.2560 8.3861 8.3861 11.0046 11.0046 11.8986 11.8986 14.8040 14.8040 k = 0.2105 0.4633 0.5492 ( 3712 PWs) bands (ev): -22.6937 -22.6937 -22.2135 -22.2135 -20.6197 -20.6197 -20.3483 -20.3483 -20.0837 -20.0837 -19.8392 -19.8392 -19.7353 -19.7353 -18.4895 -18.4895 -18.0315 -18.0315 -16.3803 -16.3803 -7.7623 -7.7623 -2.9768 -2.9768 -2.4630 -2.4630 -1.6006 -1.6006 -1.5000 -1.5000 -1.4297 -1.4297 -1.1357 -1.1357 -0.4477 -0.4477 -0.3926 -0.3926 -0.3315 -0.3315 -0.2490 -0.2490 0.1310 0.1310 0.1777 0.1777 0.2824 0.2824 0.4693 0.4693 5.3067 5.3067 8.3104 8.3104 11.0121 11.0121 11.8681 11.8681 14.8098 14.8098 k = 0.2171 0.4778 0.5492 ( 3704 PWs) bands (ev): -22.6937 -22.6937 -22.2086 -22.2086 -20.6003 -20.6003 -20.3588 -20.3588 -20.0837 -20.0837 -19.8373 -19.8373 -19.7370 -19.7370 -18.4897 -18.4897 -18.0530 -18.0530 -16.3803 -16.3803 -7.7766 -7.7766 -2.9678 -2.9678 -2.4644 -2.4644 -1.5604 -1.5604 -1.4937 -1.4937 -1.4375 -1.4375 -1.1358 -1.1358 -0.4444 -0.4444 -0.3982 -0.3982 -0.3289 -0.3289 -0.2609 -0.2609 0.1311 0.1311 0.1911 0.1911 0.2785 0.2785 0.4696 0.4696 5.3528 5.3528 8.2426 8.2426 11.0193 11.0193 11.8414 11.8414 14.8124 14.8124 k = 0.2237 0.4923 0.5492 ( 3708 PWs) bands (ev): -22.6937 -22.6937 -22.2045 -22.2045 -20.5824 -20.5824 -20.3692 -20.3692 -20.0838 -20.0838 -19.8357 -19.8357 -19.7384 -19.7384 -18.4899 -18.4899 -18.0710 -18.0710 -16.3803 -16.3803 -7.7883 -7.7883 -2.9604 -2.9604 -2.4658 -2.4658 -1.5334 -1.5334 -1.4849 -1.4849 -1.4417 -1.4417 -1.1348 -1.1348 -0.4408 -0.4408 -0.4037 -0.4037 -0.3260 -0.3260 -0.2721 -0.2721 0.1311 0.1311 0.2036 0.2036 0.2737 0.2737 0.4698 0.4698 5.3930 5.3930 8.1843 8.1843 11.0260 11.0260 11.8187 11.8187 14.8135 14.8135 k = 0.2303 0.5067 0.5492 ( 3708 PWs) bands (ev): -22.6937 -22.6937 -22.2014 -22.2014 -20.5668 -20.5668 -20.3789 -20.3789 -20.0838 -20.0838 -19.8344 -19.8344 -19.7396 -19.7396 -18.4900 -18.4900 -18.0852 -18.0852 -16.3803 -16.3803 -7.7974 -7.7974 -2.9546 -2.9546 -2.4670 -2.4670 -1.5180 -1.5180 -1.4790 -1.4790 -1.4387 -1.4387 -1.1329 -1.1329 -0.4371 -0.4371 -0.4089 -0.4089 -0.3226 -0.3226 -0.2825 -0.2825 0.1311 0.1311 0.2154 0.2154 0.2681 0.2681 0.4700 0.4700 5.4260 5.4260 8.1370 8.1370 11.0316 11.0316 11.8006 11.8006 14.8137 14.8137 k = 0.2368 0.5212 0.5492 ( 3716 PWs) bands (ev): -22.6937 -22.6937 -22.1991 -22.1991 -20.5543 -20.5543 -20.3871 -20.3871 -20.0839 -20.0839 -19.8334 -19.8334 -19.7405 -19.7405 -18.4901 -18.4901 -18.0954 -18.0954 -16.3803 -16.3803 -7.8039 -7.8039 -2.9503 -2.9503 -2.4679 -2.4679 -1.5087 -1.5087 -1.4802 -1.4802 -1.4297 -1.4297 -1.1308 -1.1308 -0.4332 -0.4332 -0.4139 -0.4139 -0.3187 -0.3187 -0.2918 -0.2918 0.1310 0.1310 0.2263 0.2263 0.2615 0.2615 0.4701 0.4701 5.4506 5.4506 8.1022 8.1022 11.0359 11.0359 11.7874 11.7874 14.8136 14.8136 k = 0.2434 0.5357 0.5492 ( 3716 PWs) bands (ev): -22.6937 -22.6937 -22.1978 -22.1978 -20.5460 -20.5460 -20.3927 -20.3927 -20.0839 -20.0839 -19.8328 -19.8328 -19.7410 -19.7410 -18.4902 -18.4902 -18.1016 -18.1016 -16.3804 -16.3804 -7.8078 -7.8078 -2.9477 -2.9477 -2.4685 -2.4685 -1.5022 -1.5022 -1.4843 -1.4843 -1.4220 -1.4220 -1.1292 -1.1292 -0.4294 -0.4294 -0.4184 -0.4184 -0.3142 -0.3142 -0.2997 -0.2997 0.1310 0.1310 0.2364 0.2364 0.2540 0.2540 0.4701 0.4701 5.4659 5.4659 8.0807 8.0807 11.0386 11.0386 11.7794 11.7794 14.8134 14.8134 k = 0.2500 0.5502 0.5492 ( 3724 PWs) bands (ev): -22.6937 -22.6937 -22.1973 -22.1973 -20.5431 -20.5431 -20.3948 -20.3948 -20.0839 -20.0839 -19.8327 -19.8327 -19.7412 -19.7412 -18.4902 -18.4902 -18.1037 -18.1037 -16.3804 -16.3804 -7.8091 -7.8091 -2.9469 -2.9469 -2.4687 -2.4687 -1.4991 -1.4991 -1.4869 -1.4869 -1.4192 -1.4192 -1.1286 -1.1286 -0.4270 -0.4270 -0.4210 -0.4210 -0.3108 -0.3108 -0.3043 -0.3043 0.1310 0.1310 0.2447 0.2447 0.2466 0.2466 0.4702 0.4702 5.4710 5.4710 8.0735 8.0735 11.0395 11.0395 11.7767 11.7767 14.8134 14.8134 Writing output data file BiF5.save init_run : 0.27s CPU 0.45s WALL ( 1 calls) electrons : 137.80s CPU 139.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 137.78s CPU 139.96s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 329 calls) cegterg : 126.27s CPU 127.88s WALL ( 409 calls) Called by sum_band: Called by *egterg: h_psi : 81.31s CPU 82.71s WALL ( 6277 calls) s_psi : 2.29s CPU 2.45s WALL ( 6277 calls) g_psi : 0.15s CPU 0.18s WALL ( 5539 calls) cdiaghg : 39.36s CPU 39.54s WALL ( 5868 calls) cegterg:over : 4.62s CPU 4.85s WALL ( 5539 calls) cegterg:upda : 3.46s CPU 3.58s WALL ( 5539 calls) cegterg:last : 2.72s CPU 2.68s WALL ( 1067 calls) cdiaghg:chol : 2.34s CPU 2.22s WALL ( 5868 calls) cdiaghg:inve : 1.38s CPU 1.38s WALL ( 5868 calls) cdiaghg:para : 2.63s CPU 2.61s WALL ( 11736 calls) Called by h_psi: h_psi:vloc : 74.55s CPU 75.94s WALL ( 6277 calls) h_psi:vnl : 6.56s CPU 6.55s WALL ( 6277 calls) add_vuspsi : 2.83s CPU 2.90s WALL ( 6277 calls) General routines calbec : 3.73s CPU 3.64s WALL ( 6277 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 68.91s CPU 70.10s WALL ( 705580 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 658 calls) Parallel routines fft_scatter : 20.80s CPU 21.44s WALL ( 705603 calls) PWSCF : 2m35.30s CPU 2m55.76s WALL This run was terminated on: 14:33: 4 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=