Program PWSCF v.5.1.1 starts on 8Oct2015 at 0:14:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 28 8 737 546 87 Max 35 29 9 739 561 90 Sum 1653 1357 403 35425 26645 4229 bravais-lattice index = 14 lattice parameter (alat) = 8.0512 a.u. unit-cell volume = 359.7747 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.051210 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.650904 celldm(5)= -0.201536 celldm(6)= -0.147561 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.147561 0.989053 0.000000 ) a(3) = ( -0.201536 -0.688176 0.696992 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.149194 0.436458 ) b(2) = ( 0.000000 1.011068 0.998280 ) b(3) = ( 0.000000 0.000000 1.434737 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 459 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055934 0.0048208 0.0111675), wk = 0.0021786 k( 3) = ( -0.0111867 0.0096415 0.0223350), wk = 0.0021786 k( 4) = ( -0.0167801 0.0144623 0.0335024), wk = 0.0021786 k( 5) = ( -0.0223734 0.0192831 0.0446699), wk = 0.0021786 k( 6) = ( -0.0279668 0.0241039 0.0558374), wk = 0.0021786 k( 7) = ( -0.0335601 0.0289246 0.0670048), wk = 0.0021786 k( 8) = ( -0.0391535 0.0337454 0.0781723), wk = 0.0021786 k( 9) = ( -0.0447469 0.0385662 0.0893398), wk = 0.0021786 k( 10) = ( -0.0503402 0.0433869 0.1005073), wk = 0.0021786 k( 11) = ( -0.0559336 0.0482077 0.1116747), wk = 0.0021786 k( 12) = ( -0.0615269 0.0530285 0.1228422), wk = 0.0021786 k( 13) = ( -0.0671203 0.0578493 0.1340097), wk = 0.0021786 k( 14) = ( -0.0727137 0.0626700 0.1451771), wk = 0.0021786 k( 15) = ( -0.0783070 0.0674908 0.1563446), wk = 0.0021786 k( 16) = ( -0.0839004 0.0723116 0.1675121), wk = 0.0021786 k( 17) = ( -0.0894937 0.0771324 0.1786796), wk = 0.0021786 k( 18) = ( -0.0950871 0.0819531 0.1898470), wk = 0.0021786 k( 19) = ( -0.1006805 0.0867739 0.2010145), wk = 0.0021786 k( 20) = ( -0.1062738 0.0915947 0.2121820), wk = 0.0021786 k( 21) = ( -0.1118672 0.0964154 0.2233494), wk = 0.0021786 k( 22) = ( -0.1174605 0.1012362 0.2345169), wk = 0.0021786 k( 23) = ( -0.1230539 0.1060570 0.2456844), wk = 0.0021786 k( 24) = ( -0.1286472 0.1108778 0.2568519), wk = 0.0021786 k( 25) = ( -0.1342406 0.1156985 0.2680193), wk = 0.0021786 k( 26) = ( -0.1398340 0.1205193 0.2791868), wk = 0.0021786 k( 27) = ( -0.1454273 0.1253401 0.2903543), wk = 0.0021786 k( 28) = ( -0.1510207 0.1301608 0.3015218), wk = 0.0021786 k( 29) = ( -0.1566140 0.1349816 0.3126892), wk = 0.0021786 k( 30) = ( -0.1622074 0.1398024 0.3238567), wk = 0.0021786 k( 31) = ( -0.1678008 0.1446232 0.3350242), wk = 0.0021786 k( 32) = ( -0.1733941 0.1494439 0.3461917), wk = 0.0021786 k( 33) = ( -0.1789875 0.1542647 0.3573591), wk = 0.0021786 k( 34) = ( -0.1845808 0.1590855 0.3685266), wk = 0.0021786 k( 35) = ( -0.1901742 0.1639062 0.3796941), wk = 0.0021786 k( 36) = ( -0.1957676 0.1687270 0.3908615), wk = 0.0021786 k( 37) = ( -0.2013609 0.1735478 0.4020290), wk = 0.0021786 k( 38) = ( -0.2069543 0.1783686 0.4131965), wk = 0.0021786 k( 39) = ( -0.2125476 0.1831893 0.4243640), wk = 0.0021786 k( 40) = ( -0.2181410 0.1880101 0.4355314), wk = 0.0021786 k( 41) = ( -0.2237343 0.1928309 0.4466989), wk = 0.0021786 k( 42) = ( -0.2293277 0.1976516 0.4578664), wk = 0.0021786 k( 43) = ( -0.2349211 0.2024724 0.4690338), wk = 0.0021786 k( 44) = ( -0.2405144 0.2072932 0.4802013), wk = 0.0021786 k( 45) = ( -0.2461078 0.2121140 0.4913688), wk = 0.0021786 k( 46) = ( -0.2517011 0.2169347 0.5025363), wk = 0.0021786 k( 47) = ( -0.2572945 0.2217555 0.5137037), wk = 0.0021786 k( 48) = ( -0.2628879 0.2265763 0.5248712), wk = 0.0021786 k( 49) = ( -0.2684812 0.2313971 0.5360387), wk = 0.0021786 k( 50) = ( -0.2740746 0.2362178 0.5472061), wk = 0.0021786 k( 51) = ( -0.2796679 0.2410386 0.5583736), wk = 0.0021786 k( 52) = ( -0.2852613 0.2458594 0.5695411), wk = 0.0021786 k( 53) = ( -0.2908546 0.2506801 0.5807086), wk = 0.0021786 k( 54) = ( -0.2964480 0.2555009 0.5918761), wk = 0.0021786 k( 55) = ( -0.3020414 0.2603217 0.6030435), wk = 0.0021786 k( 56) = ( -0.3076347 0.2651425 0.6142110), wk = 0.0021786 k( 57) = ( -0.3132281 0.2699632 0.6253785), wk = 0.0021786 k( 58) = ( -0.3188214 0.2747840 0.6365459), wk = 0.0021786 k( 59) = ( -0.3244148 0.2796048 0.6477134), wk = 0.0021786 k( 60) = ( -0.3300082 0.2844255 0.6588809), wk = 0.0021786 k( 61) = ( -0.3356015 0.2892463 0.6700484), wk = 0.0021786 k( 62) = ( -0.3411949 0.2940671 0.6812158), wk = 0.0021786 k( 63) = ( -0.3467882 0.2988879 0.6923833), wk = 0.0021786 k( 64) = ( -0.3523816 0.3037086 0.7035508), wk = 0.0021786 k( 65) = ( -0.3523816 0.3037086 0.7035508), wk = 0.0021786 k( 66) = ( -0.3444668 0.2968871 0.7104597), wk = 0.0021786 k( 67) = ( -0.3365520 0.2900655 0.7173687), wk = 0.0021786 k( 68) = ( -0.3365520 0.2900655 0.7173687), wk = 0.0021786 k( 69) = ( -0.3263534 0.2812756 0.7173687), wk = 0.0021786 k( 70) = ( -0.3161549 0.2724858 0.7173687), wk = 0.0021786 k( 71) = ( -0.3059563 0.2636959 0.7173687), wk = 0.0021786 k( 72) = ( -0.2957578 0.2549061 0.7173687), wk = 0.0021786 k( 73) = ( -0.2855593 0.2461162 0.7173687), wk = 0.0021786 k( 74) = ( -0.2753607 0.2373263 0.7173687), wk = 0.0021786 k( 75) = ( -0.2651622 0.2285365 0.7173687), wk = 0.0021786 k( 76) = ( -0.2549636 0.2197466 0.7173687), wk = 0.0021786 k( 77) = ( -0.2447651 0.2109567 0.7173687), wk = 0.0021786 k( 78) = ( -0.2345665 0.2021669 0.7173687), wk = 0.0021786 k( 79) = ( -0.2243680 0.1933770 0.7173687), wk = 0.0021786 k( 80) = ( -0.2141695 0.1845871 0.7173687), wk = 0.0021786 k( 81) = ( -0.2039709 0.1757973 0.7173687), wk = 0.0021786 k( 82) = ( -0.1937724 0.1670074 0.7173687), wk = 0.0021786 k( 83) = ( -0.1835738 0.1582175 0.7173687), wk = 0.0021786 k( 84) = ( -0.1733753 0.1494277 0.7173687), wk = 0.0021786 k( 85) = ( -0.1631767 0.1406378 0.7173687), wk = 0.0021786 k( 86) = ( -0.1529782 0.1318480 0.7173687), wk = 0.0021786 k( 87) = ( -0.1427796 0.1230581 0.7173687), wk = 0.0021786 k( 88) = ( -0.1325811 0.1142682 0.7173687), wk = 0.0021786 k( 89) = ( -0.1223825 0.1054784 0.7173687), wk = 0.0021786 k( 90) = ( -0.1121840 0.0966885 0.7173687), wk = 0.0021786 k( 91) = ( -0.1019855 0.0878986 0.7173687), wk = 0.0021786 k( 92) = ( -0.0917869 0.0791088 0.7173687), wk = 0.0021786 k( 93) = ( -0.0815884 0.0703189 0.7173687), wk = 0.0021786 k( 94) = ( -0.0713898 0.0615291 0.7173687), wk = 0.0021786 k( 95) = ( -0.0611913 0.0527392 0.7173687), wk = 0.0021786 k( 96) = ( -0.0509927 0.0439493 0.7173687), wk = 0.0021786 k( 97) = ( -0.0407942 0.0351595 0.7173687), wk = 0.0021786 k( 98) = ( -0.0305956 0.0263696 0.7173687), wk = 0.0021786 k( 99) = ( -0.0203971 0.0175797 0.7173687), wk = 0.0021786 k( 100) = ( -0.0101986 0.0087899 0.7173687), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.7173687), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.7173687), wk = 0.0021786 k( 103) = ( 0.0086207 0.0100023 0.7173687), wk = 0.0021786 k( 104) = ( 0.0172414 0.0200045 0.7173687), wk = 0.0021786 k( 105) = ( 0.0258621 0.0300068 0.7173687), wk = 0.0021786 k( 106) = ( 0.0344828 0.0400090 0.7173687), wk = 0.0021786 k( 107) = ( 0.0431035 0.0500113 0.7173687), wk = 0.0021786 k( 108) = ( 0.0517241 0.0600136 0.7173687), wk = 0.0021786 k( 109) = ( 0.0603448 0.0700158 0.7173687), wk = 0.0021786 k( 110) = ( 0.0689655 0.0800181 0.7173687), wk = 0.0021786 k( 111) = ( 0.0775862 0.0900203 0.7173687), wk = 0.0021786 k( 112) = ( 0.0862069 0.1000226 0.7173687), wk = 0.0021786 k( 113) = ( 0.0948276 0.1100249 0.7173687), wk = 0.0021786 k( 114) = ( 0.1034483 0.1200271 0.7173687), wk = 0.0021786 k( 115) = ( 0.1120690 0.1300294 0.7173687), wk = 0.0021786 k( 116) = ( 0.1206897 0.1400316 0.7173687), wk = 0.0021786 k( 117) = ( 0.1293103 0.1500339 0.7173687), wk = 0.0021786 k( 118) = ( 0.1379310 0.1600361 0.7173687), wk = 0.0021786 k( 119) = ( 0.1465517 0.1700384 0.7173687), wk = 0.0021786 k( 120) = ( 0.1551724 0.1800407 0.7173687), wk = 0.0021786 k( 121) = ( 0.1637931 0.1900429 0.7173687), wk = 0.0021786 k( 122) = ( 0.1724138 0.2000452 0.7173687), wk = 0.0021786 k( 123) = ( 0.1810345 0.2100474 0.7173687), wk = 0.0021786 k( 124) = ( 0.1896552 0.2200497 0.7173687), wk = 0.0021786 k( 125) = ( 0.1982759 0.2300520 0.7173687), wk = 0.0021786 k( 126) = ( 0.2068966 0.2400542 0.7173687), wk = 0.0021786 k( 127) = ( 0.2155172 0.2500565 0.7173687), wk = 0.0021786 k( 128) = ( 0.2241379 0.2600587 0.7173687), wk = 0.0021786 k( 129) = ( 0.2327586 0.2700610 0.7173687), wk = 0.0021786 k( 130) = ( 0.2413793 0.2800632 0.7173687), wk = 0.0021786 k( 131) = ( 0.2500000 0.2900655 0.7173687), wk = 0.0021786 k( 132) = ( 0.2500000 0.2900655 0.7173687), wk = 0.0021786 k( 133) = ( 0.2416667 0.2972478 0.7100944), wk = 0.0021786 k( 134) = ( 0.2333333 0.3044301 0.7028201), wk = 0.0021786 k( 135) = ( 0.2250000 0.3116124 0.6955458), wk = 0.0021786 k( 136) = ( 0.2166667 0.3187946 0.6882715), wk = 0.0021786 k( 137) = ( 0.2083333 0.3259769 0.6809972), wk = 0.0021786 k( 138) = ( 0.2000000 0.3331592 0.6737229), wk = 0.0021786 k( 139) = ( 0.1916667 0.3403415 0.6664486), wk = 0.0021786 k( 140) = ( 0.1833333 0.3475238 0.6591743), wk = 0.0021786 k( 141) = ( 0.1750000 0.3547061 0.6519000), wk = 0.0021786 k( 142) = ( 0.1666667 0.3618884 0.6446257), wk = 0.0021786 k( 143) = ( 0.1583333 0.3690707 0.6373514), wk = 0.0021786 k( 144) = ( 0.1500000 0.3762529 0.6300771), wk = 0.0021786 k( 145) = ( 0.1416667 0.3834352 0.6228028), wk = 0.0021786 k( 146) = ( 0.1333333 0.3906175 0.6155285), wk = 0.0021786 k( 147) = ( 0.1250000 0.3977998 0.6082543), wk = 0.0021786 k( 148) = ( 0.1166667 0.4049821 0.6009800), wk = 0.0021786 k( 149) = ( 0.1083333 0.4121644 0.5937057), wk = 0.0021786 k( 150) = ( 0.1000000 0.4193466 0.5864314), wk = 0.0021786 k( 151) = ( 0.0916667 0.4265289 0.5791571), wk = 0.0021786 k( 152) = ( 0.0833333 0.4337112 0.5718828), wk = 0.0021786 k( 153) = ( 0.0750000 0.4408935 0.5646085), wk = 0.0021786 k( 154) = ( 0.0666667 0.4480758 0.5573342), wk = 0.0021786 k( 155) = ( 0.0583333 0.4552581 0.5500599), wk = 0.0021786 k( 156) = ( 0.0500000 0.4624404 0.5427856), wk = 0.0021786 k( 157) = ( 0.0416667 0.4696226 0.5355113), wk = 0.0021786 k( 158) = ( 0.0333333 0.4768049 0.5282370), wk = 0.0021786 k( 159) = ( 0.0250000 0.4839872 0.5209627), wk = 0.0021786 k( 160) = ( 0.0166667 0.4911695 0.5136884), wk = 0.0021786 k( 161) = ( 0.0083333 0.4983518 0.5064141), wk = 0.0021786 k( 162) = ( 0.0000000 0.5055341 0.4991398), wk = 0.0021786 k( 163) = ( 0.0000000 0.5055341 0.4991398), wk = 0.0021786 k( 164) = ( 0.0103642 0.5114701 0.4931278), wk = 0.0021786 k( 165) = ( 0.0207283 0.5174062 0.4871157), wk = 0.0021786 k( 166) = ( 0.0310925 0.5233422 0.4811036), wk = 0.0021786 k( 167) = ( 0.0414567 0.5292782 0.4750915), wk = 0.0021786 k( 168) = ( 0.0518208 0.5352143 0.4690794), wk = 0.0021786 k( 169) = ( 0.0621850 0.5411503 0.4630673), wk = 0.0021786 k( 170) = ( 0.0725492 0.5470864 0.4570552), wk = 0.0021786 k( 171) = ( 0.0829133 0.5530224 0.4510431), wk = 0.0021786 k( 172) = ( 0.0932775 0.5589585 0.4450311), wk = 0.0021786 k( 173) = ( 0.1036417 0.5648945 0.4390190), wk = 0.0021786 k( 174) = ( 0.1140058 0.5708305 0.4330069), wk = 0.0021786 k( 175) = ( 0.1243700 0.5767666 0.4269948), wk = 0.0021786 k( 176) = ( 0.1347341 0.5827026 0.4209827), wk = 0.0021786 k( 177) = ( 0.1450983 0.5886387 0.4149706), wk = 0.0021786 k( 178) = ( 0.1554625 0.5945747 0.4089585), wk = 0.0021786 k( 179) = ( 0.1658266 0.6005108 0.4029465), wk = 0.0021786 k( 180) = ( 0.1761908 0.6064468 0.3969344), wk = 0.0021786 k( 181) = ( 0.1865550 0.6123828 0.3909223), wk = 0.0021786 k( 182) = ( 0.1969191 0.6183189 0.3849102), wk = 0.0021786 k( 183) = ( 0.2072833 0.6242549 0.3788981), wk = 0.0021786 k( 184) = ( 0.2176474 0.6301910 0.3728860), wk = 0.0021786 k( 185) = ( 0.2280116 0.6361270 0.3668739), wk = 0.0021786 k( 186) = ( 0.2383758 0.6420631 0.3608619), wk = 0.0021786 k( 187) = ( 0.2487399 0.6479991 0.3548498), wk = 0.0021786 k( 188) = ( 0.2591041 0.6539351 0.3488377), wk = 0.0021786 k( 189) = ( 0.2694683 0.6598712 0.3428256), wk = 0.0021786 k( 190) = ( 0.2798324 0.6658072 0.3368135), wk = 0.0021786 k( 191) = ( 0.2901966 0.6717433 0.3308014), wk = 0.0021786 k( 192) = ( 0.3005608 0.6776793 0.3247893), wk = 0.0021786 k( 193) = ( 0.3109249 0.6836154 0.3187773), wk = 0.0021786 k( 194) = ( 0.3212891 0.6895514 0.3127652), wk = 0.0021786 k( 195) = ( 0.3316533 0.6954874 0.3067531), wk = 0.0021786 k( 196) = ( 0.3420174 0.7014235 0.3007410), wk = 0.0021786 k( 197) = ( 0.3523816 0.7073595 0.2947289), wk = 0.0021786 k( 198) = ( 0.3523816 0.7073595 0.2947289), wk = 0.0021786 k( 199) = ( 0.3578489 0.7026474 0.2838130), wk = 0.0021786 k( 200) = ( 0.3633163 0.6979352 0.2728971), wk = 0.0021786 k( 201) = ( 0.3687836 0.6932230 0.2619813), wk = 0.0021786 k( 202) = ( 0.3742510 0.6885108 0.2510654), wk = 0.0021786 k( 203) = ( 0.3797183 0.6837987 0.2401495), wk = 0.0021786 k( 204) = ( 0.3851857 0.6790865 0.2292336), wk = 0.0021786 k( 205) = ( 0.3906530 0.6743744 0.2183177), wk = 0.0021786 k( 206) = ( 0.3961204 0.6696622 0.2074018), wk = 0.0021786 k( 207) = ( 0.4015877 0.6649500 0.1964859), wk = 0.0021786 k( 208) = ( 0.4070551 0.6602378 0.1855701), wk = 0.0021786 k( 209) = ( 0.4125224 0.6555257 0.1746542), wk = 0.0021786 k( 210) = ( 0.4179898 0.6508135 0.1637383), wk = 0.0021786 k( 211) = ( 0.4234571 0.6461014 0.1528224), wk = 0.0021786 k( 212) = ( 0.4289245 0.6413892 0.1419065), wk = 0.0021786 k( 213) = ( 0.4343918 0.6366770 0.1309906), wk = 0.0021786 k( 214) = ( 0.4398592 0.6319648 0.1200747), wk = 0.0021786 k( 215) = ( 0.4453265 0.6272527 0.1091588), wk = 0.0021786 k( 216) = ( 0.4507939 0.6225405 0.0982430), wk = 0.0021786 k( 217) = ( 0.4562612 0.6178283 0.0873271), wk = 0.0021786 k( 218) = ( 0.4617286 0.6131162 0.0764112), wk = 0.0021786 k( 219) = ( 0.4671959 0.6084040 0.0654953), wk = 0.0021786 k( 220) = ( 0.4726633 0.6036918 0.0545794), wk = 0.0021786 k( 221) = ( 0.4781306 0.5989797 0.0436635), wk = 0.0021786 k( 222) = ( 0.4835979 0.5942675 0.0327477), wk = 0.0021786 k( 223) = ( 0.4890653 0.5895553 0.0218318), wk = 0.0021786 k( 224) = ( 0.4945327 0.5848432 0.0109159), wk = 0.0021786 k( 225) = ( 0.5000000 0.5801310 0.0000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5801310 0.0000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.5699533 0.0000000), wk = 0.0021786 k( 228) = ( 0.4824561 0.5597755 0.0000000), wk = 0.0021786 k( 229) = ( 0.4736842 0.5495978 0.0000000), wk = 0.0021786 k( 230) = ( 0.4649123 0.5394201 0.0000000), wk = 0.0021786 k( 231) = ( 0.4561404 0.5292423 0.0000000), wk = 0.0021786 k( 232) = ( 0.4473684 0.5190646 0.0000000), wk = 0.0021786 k( 233) = ( 0.4385965 0.5088869 0.0000000), wk = 0.0021786 k( 234) = ( 0.4298246 0.4987091 0.0000000), wk = 0.0021786 k( 235) = ( 0.4210526 0.4885314 0.0000000), wk = 0.0021786 k( 236) = ( 0.4122807 0.4783536 0.0000000), wk = 0.0021786 k( 237) = ( 0.4035088 0.4681759 0.0000000), wk = 0.0021786 k( 238) = ( 0.3947368 0.4579982 0.0000000), wk = 0.0021786 k( 239) = ( 0.3859649 0.4478204 0.0000000), wk = 0.0021786 k( 240) = ( 0.3771930 0.4376427 0.0000000), wk = 0.0021786 k( 241) = ( 0.3684211 0.4274650 0.0000000), wk = 0.0021786 k( 242) = ( 0.3596491 0.4172872 0.0000000), wk = 0.0021786 k( 243) = ( 0.3508772 0.4071095 0.0000000), wk = 0.0021786 k( 244) = ( 0.3421053 0.3969317 0.0000000), wk = 0.0021786 k( 245) = ( 0.3333333 0.3867540 0.0000000), wk = 0.0021786 k( 246) = ( 0.3245614 0.3765763 0.0000000), wk = 0.0021786 k( 247) = ( 0.3157895 0.3663985 0.0000000), wk = 0.0021786 k( 248) = ( 0.3070175 0.3562208 0.0000000), wk = 0.0021786 k( 249) = ( 0.2982456 0.3460431 0.0000000), wk = 0.0021786 k( 250) = ( 0.2894737 0.3358653 0.0000000), wk = 0.0021786 k( 251) = ( 0.2807018 0.3256876 0.0000000), wk = 0.0021786 k( 252) = ( 0.2719298 0.3155098 0.0000000), wk = 0.0021786 k( 253) = ( 0.2631579 0.3053321 0.0000000), wk = 0.0021786 k( 254) = ( 0.2543860 0.2951544 0.0000000), wk = 0.0021786 k( 255) = ( 0.2456140 0.2849766 0.0000000), wk = 0.0021786 k( 256) = ( 0.2368421 0.2747989 0.0000000), wk = 0.0021786 k( 257) = ( 0.2280702 0.2646212 0.0000000), wk = 0.0021786 k( 258) = ( 0.2192983 0.2544434 0.0000000), wk = 0.0021786 k( 259) = ( 0.2105263 0.2442657 0.0000000), wk = 0.0021786 k( 260) = ( 0.2017544 0.2340880 0.0000000), wk = 0.0021786 k( 261) = ( 0.1929825 0.2239102 0.0000000), wk = 0.0021786 k( 262) = ( 0.1842105 0.2137325 0.0000000), wk = 0.0021786 k( 263) = ( 0.1754386 0.2035547 0.0000000), wk = 0.0021786 k( 264) = ( 0.1666667 0.1933770 0.0000000), wk = 0.0021786 k( 265) = ( 0.1578947 0.1831993 0.0000000), wk = 0.0021786 k( 266) = ( 0.1491228 0.1730215 0.0000000), wk = 0.0021786 k( 267) = ( 0.1403509 0.1628438 0.0000000), wk = 0.0021786 k( 268) = ( 0.1315790 0.1526661 0.0000000), wk = 0.0021786 k( 269) = ( 0.1228070 0.1424883 0.0000000), wk = 0.0021786 k( 270) = ( 0.1140351 0.1323106 0.0000000), wk = 0.0021786 k( 271) = ( 0.1052632 0.1221328 0.0000000), wk = 0.0021786 k( 272) = ( 0.0964912 0.1119551 0.0000000), wk = 0.0021786 k( 273) = ( 0.0877193 0.1017774 0.0000000), wk = 0.0021786 k( 274) = ( 0.0789474 0.0915996 0.0000000), wk = 0.0021786 k( 275) = ( 0.0701754 0.0814219 0.0000000), wk = 0.0021786 k( 276) = ( 0.0614035 0.0712442 0.0000000), wk = 0.0021786 k( 277) = ( 0.0526316 0.0610664 0.0000000), wk = 0.0021786 k( 278) = ( 0.0438597 0.0508887 0.0000000), wk = 0.0021786 k( 279) = ( 0.0350877 0.0407109 0.0000000), wk = 0.0021786 k( 280) = ( 0.0263158 0.0305332 0.0000000), wk = 0.0021786 k( 281) = ( 0.0175439 0.0203555 0.0000000), wk = 0.0021786 k( 282) = ( 0.0087719 0.0101777 0.0000000), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084942 -0.0073209 0.0074147), wk = 0.0021786 k( 286) = ( 0.0169884 -0.0146419 0.0148295), wk = 0.0021786 k( 287) = ( 0.0254826 -0.0219628 0.0222442), wk = 0.0021786 k( 288) = ( 0.0339769 -0.0292838 0.0296589), wk = 0.0021786 k( 289) = ( 0.0424711 -0.0366047 0.0370737), wk = 0.0021786 k( 290) = ( 0.0509653 -0.0439257 0.0444884), wk = 0.0021786 k( 291) = ( 0.0594595 -0.0512466 0.0519031), wk = 0.0021786 k( 292) = ( 0.0679537 -0.0585676 0.0593179), wk = 0.0021786 k( 293) = ( 0.0764480 -0.0658885 0.0667326), wk = 0.0021786 k( 294) = ( 0.0849422 -0.0732095 0.0741473), wk = 0.0021786 k( 295) = ( 0.0934364 -0.0805304 0.0815621), wk = 0.0021786 k( 296) = ( 0.1019306 -0.0878514 0.0889768), wk = 0.0021786 k( 297) = ( 0.1104248 -0.0951723 0.0963915), wk = 0.0021786 k( 298) = ( 0.1189190 -0.1024933 0.1038063), wk = 0.0021786 k( 299) = ( 0.1274133 -0.1098142 0.1112210), wk = 0.0021786 k( 300) = ( 0.1359075 -0.1171352 0.1186357), wk = 0.0021786 k( 301) = ( 0.1444017 -0.1244561 0.1260505), wk = 0.0021786 k( 302) = ( 0.1528959 -0.1317771 0.1334652), wk = 0.0021786 k( 303) = ( 0.1613901 -0.1390980 0.1408799), wk = 0.0021786 k( 304) = ( 0.1698843 -0.1464190 0.1482947), wk = 0.0021786 k( 305) = ( 0.1783786 -0.1537399 0.1557094), wk = 0.0021786 k( 306) = ( 0.1868728 -0.1610608 0.1631241), wk = 0.0021786 k( 307) = ( 0.1953670 -0.1683818 0.1705388), wk = 0.0021786 k( 308) = ( 0.2038612 -0.1757027 0.1779536), wk = 0.0021786 k( 309) = ( 0.2123554 -0.1830237 0.1853683), wk = 0.0021786 k( 310) = ( 0.2208497 -0.1903446 0.1927830), wk = 0.0021786 k( 311) = ( 0.2293439 -0.1976656 0.2001978), wk = 0.0021786 k( 312) = ( 0.2378381 -0.2049865 0.2076125), wk = 0.0021786 k( 313) = ( 0.2463323 -0.2123075 0.2150273), wk = 0.0021786 k( 314) = ( 0.2548265 -0.2196284 0.2224420), wk = 0.0021786 k( 315) = ( 0.2633207 -0.2269494 0.2298567), wk = 0.0021786 k( 316) = ( 0.2718150 -0.2342703 0.2372714), wk = 0.0021786 k( 317) = ( 0.2803092 -0.2415913 0.2446862), wk = 0.0021786 k( 318) = ( 0.2888034 -0.2489122 0.2521009), wk = 0.0021786 k( 319) = ( 0.2972976 -0.2562332 0.2595156), wk = 0.0021786 k( 320) = ( 0.3057918 -0.2635541 0.2669304), wk = 0.0021786 k( 321) = ( 0.3142860 -0.2708751 0.2743451), wk = 0.0021786 k( 322) = ( 0.3227803 -0.2781960 0.2817598), wk = 0.0021786 k( 323) = ( 0.3312745 -0.2855170 0.2891746), wk = 0.0021786 k( 324) = ( 0.3397687 -0.2928379 0.2965893), wk = 0.0021786 k( 325) = ( 0.3482629 -0.3001589 0.3040040), wk = 0.0021786 k( 326) = ( 0.3567571 -0.3074798 0.3114188), wk = 0.0021786 k( 327) = ( 0.3652513 -0.3148007 0.3188335), wk = 0.0021786 k( 328) = ( 0.3737456 -0.3221217 0.3262482), wk = 0.0021786 k( 329) = ( 0.3822398 -0.3294426 0.3336630), wk = 0.0021786 k( 330) = ( 0.3907340 -0.3367636 0.3410777), wk = 0.0021786 k( 331) = ( 0.3992282 -0.3440845 0.3484924), wk = 0.0021786 k( 332) = ( 0.4077224 -0.3514055 0.3559072), wk = 0.0021786 k( 333) = ( 0.4162167 -0.3587264 0.3633219), wk = 0.0021786 k( 334) = ( 0.4247109 -0.3660474 0.3707366), wk = 0.0021786 k( 335) = ( 0.4332051 -0.3733683 0.3781514), wk = 0.0021786 k( 336) = ( 0.4416993 -0.3806893 0.3855661), wk = 0.0021786 k( 337) = ( 0.4501935 -0.3880102 0.3929808), wk = 0.0021786 k( 338) = ( 0.4586877 -0.3953312 0.4003956), wk = 0.0021786 k( 339) = ( 0.4671820 -0.4026521 0.4078103), wk = 0.0021786 k( 340) = ( 0.4756762 -0.4099731 0.4152250), wk = 0.0021786 k( 341) = ( 0.4841704 -0.4172940 0.4226398), wk = 0.0021786 k( 342) = ( 0.4841704 -0.4172940 0.4226398), wk = 0.0021786 k( 343) = ( 0.4845661 -0.4049967 0.4175295), wk = 0.0021786 k( 344) = ( 0.4849619 -0.3926995 0.4124192), wk = 0.0021786 k( 345) = ( 0.4853576 -0.3804022 0.4073089), wk = 0.0021786 k( 346) = ( 0.4857534 -0.3681049 0.4021987), wk = 0.0021786 k( 347) = ( 0.4861491 -0.3558076 0.3970884), wk = 0.0021786 k( 348) = ( 0.4865448 -0.3435104 0.3919781), wk = 0.0021786 k( 349) = ( 0.4869406 -0.3312131 0.3868679), wk = 0.0021786 k( 350) = ( 0.4873363 -0.3189158 0.3817576), wk = 0.0021786 k( 351) = ( 0.4877321 -0.3066186 0.3766473), wk = 0.0021786 k( 352) = ( 0.4881278 -0.2943213 0.3715370), wk = 0.0021786 k( 353) = ( 0.4885235 -0.2820240 0.3664268), wk = 0.0021786 k( 354) = ( 0.4889193 -0.2697267 0.3613165), wk = 0.0021786 k( 355) = ( 0.4893150 -0.2574295 0.3562062), wk = 0.0021786 k( 356) = ( 0.4897108 -0.2451322 0.3510959), wk = 0.0021786 k( 357) = ( 0.4901065 -0.2328349 0.3459857), wk = 0.0021786 k( 358) = ( 0.4905022 -0.2205376 0.3408754), wk = 0.0021786 k( 359) = ( 0.4908980 -0.2082404 0.3357651), wk = 0.0021786 k( 360) = ( 0.4912937 -0.1959431 0.3306548), wk = 0.0021786 k( 361) = ( 0.4916895 -0.1836458 0.3255446), wk = 0.0021786 k( 362) = ( 0.4920852 -0.1713485 0.3204343), wk = 0.0021786 k( 363) = ( 0.4924809 -0.1590513 0.3153240), wk = 0.0021786 k( 364) = ( 0.4928767 -0.1467540 0.3102138), wk = 0.0021786 k( 365) = ( 0.4932724 -0.1344567 0.3051035), wk = 0.0021786 k( 366) = ( 0.4936682 -0.1221594 0.2999932), wk = 0.0021786 k( 367) = ( 0.4940639 -0.1098622 0.2948829), wk = 0.0021786 k( 368) = ( 0.4944596 -0.0975649 0.2897727), wk = 0.0021786 k( 369) = ( 0.4948554 -0.0852676 0.2846624), wk = 0.0021786 k( 370) = ( 0.4952511 -0.0729704 0.2795521), wk = 0.0021786 k( 371) = ( 0.4956469 -0.0606731 0.2744418), wk = 0.0021786 k( 372) = ( 0.4960426 -0.0483758 0.2693316), wk = 0.0021786 k( 373) = ( 0.4964383 -0.0360785 0.2642213), wk = 0.0021786 k( 374) = ( 0.4968341 -0.0237813 0.2591110), wk = 0.0021786 k( 375) = ( 0.4972298 -0.0114840 0.2540007), wk = 0.0021786 k( 376) = ( 0.4976256 0.0008133 0.2488905), wk = 0.0021786 k( 377) = ( 0.4980213 0.0131106 0.2437802), wk = 0.0021786 k( 378) = ( 0.4984170 0.0254078 0.2386699), wk = 0.0021786 k( 379) = ( 0.4988128 0.0377051 0.2335597), wk = 0.0021786 k( 380) = ( 0.4992085 0.0500024 0.2284494), wk = 0.0021786 k( 381) = ( 0.4996043 0.0622997 0.2233391), wk = 0.0021786 k( 382) = ( 0.5000000 0.0745969 0.2182288), wk = 0.0021786 k( 383) = ( 0.5000000 0.0745969 0.2182288), wk = 0.0021786 k( 384) = ( 0.4944444 0.0793851 0.2293208), wk = 0.0021786 k( 385) = ( 0.4888889 0.0841733 0.2404128), wk = 0.0021786 k( 386) = ( 0.4833333 0.0889615 0.2515048), wk = 0.0021786 k( 387) = ( 0.4777778 0.0937497 0.2625968), wk = 0.0021786 k( 388) = ( 0.4722222 0.0985379 0.2736888), wk = 0.0021786 k( 389) = ( 0.4666667 0.1033261 0.2847808), wk = 0.0021786 k( 390) = ( 0.4611111 0.1081143 0.2958728), wk = 0.0021786 k( 391) = ( 0.4555556 0.1129025 0.3069648), wk = 0.0021786 k( 392) = ( 0.4500000 0.1176906 0.3180568), wk = 0.0021786 k( 393) = ( 0.4444444 0.1224788 0.3291488), wk = 0.0021786 k( 394) = ( 0.4388889 0.1272670 0.3402408), wk = 0.0021786 k( 395) = ( 0.4333333 0.1320552 0.3513328), wk = 0.0021786 k( 396) = ( 0.4277778 0.1368434 0.3624248), wk = 0.0021786 k( 397) = ( 0.4222222 0.1416316 0.3735168), wk = 0.0021786 k( 398) = ( 0.4166667 0.1464198 0.3846088), wk = 0.0021786 k( 399) = ( 0.4111111 0.1512080 0.3957008), wk = 0.0021786 k( 400) = ( 0.4055556 0.1559962 0.4067928), wk = 0.0021786 k( 401) = ( 0.4000000 0.1607844 0.4178848), wk = 0.0021786 k( 402) = ( 0.3944444 0.1655726 0.4289768), wk = 0.0021786 k( 403) = ( 0.3888889 0.1703607 0.4400688), wk = 0.0021786 k( 404) = ( 0.3833333 0.1751489 0.4511608), wk = 0.0021786 k( 405) = ( 0.3777778 0.1799371 0.4622528), wk = 0.0021786 k( 406) = ( 0.3722222 0.1847253 0.4733448), wk = 0.0021786 k( 407) = ( 0.3666667 0.1895135 0.4844367), wk = 0.0021786 k( 408) = ( 0.3611111 0.1943017 0.4955287), wk = 0.0021786 k( 409) = ( 0.3555556 0.1990899 0.5066207), wk = 0.0021786 k( 410) = ( 0.3500000 0.2038781 0.5177127), wk = 0.0021786 k( 411) = ( 0.3444444 0.2086663 0.5288047), wk = 0.0021786 k( 412) = ( 0.3388889 0.2134545 0.5398967), wk = 0.0021786 k( 413) = ( 0.3333333 0.2182427 0.5509887), wk = 0.0021786 k( 414) = ( 0.3277778 0.2230308 0.5620807), wk = 0.0021786 k( 415) = ( 0.3222222 0.2278190 0.5731727), wk = 0.0021786 k( 416) = ( 0.3166667 0.2326072 0.5842647), wk = 0.0021786 k( 417) = ( 0.3111111 0.2373954 0.5953567), wk = 0.0021786 k( 418) = ( 0.3055556 0.2421836 0.6064487), wk = 0.0021786 k( 419) = ( 0.3000000 0.2469718 0.6175407), wk = 0.0021786 k( 420) = ( 0.2944444 0.2517600 0.6286327), wk = 0.0021786 k( 421) = ( 0.2888889 0.2565482 0.6397247), wk = 0.0021786 k( 422) = ( 0.2833333 0.2613364 0.6508167), wk = 0.0021786 k( 423) = ( 0.2777778 0.2661246 0.6619087), wk = 0.0021786 k( 424) = ( 0.2722222 0.2709127 0.6730007), wk = 0.0021786 k( 425) = ( 0.2666667 0.2757009 0.6840927), wk = 0.0021786 k( 426) = ( 0.2611111 0.2804891 0.6951847), wk = 0.0021786 k( 427) = ( 0.2555556 0.2852773 0.7062767), wk = 0.0021786 k( 428) = ( 0.2500000 0.2900655 0.7173687), wk = 0.0021786 k( 429) = ( 0.3365520 -0.2900655 0.7173687), wk = 0.0021786 k( 430) = ( 0.3420193 -0.2947777 0.7064528), wk = 0.0021786 k( 431) = ( 0.3474867 -0.2994898 0.6955369), wk = 0.0021786 k( 432) = ( 0.3529540 -0.3042020 0.6846210), wk = 0.0021786 k( 433) = ( 0.3584214 -0.3089142 0.6737051), wk = 0.0021786 k( 434) = ( 0.3638887 -0.3136263 0.6627892), wk = 0.0021786 k( 435) = ( 0.3693561 -0.3183385 0.6518734), wk = 0.0021786 k( 436) = ( 0.3748234 -0.3230507 0.6409575), wk = 0.0021786 k( 437) = ( 0.3802908 -0.3277628 0.6300416), wk = 0.0021786 k( 438) = ( 0.3857581 -0.3324750 0.6191257), wk = 0.0021786 k( 439) = ( 0.3912255 -0.3371872 0.6082098), wk = 0.0021786 k( 440) = ( 0.3966928 -0.3418993 0.5972939), wk = 0.0021786 k( 441) = ( 0.4021602 -0.3466115 0.5863780), wk = 0.0021786 k( 442) = ( 0.4076275 -0.3513237 0.5754622), wk = 0.0021786 k( 443) = ( 0.4130949 -0.3560358 0.5645463), wk = 0.0021786 k( 444) = ( 0.4185622 -0.3607480 0.5536304), wk = 0.0021786 k( 445) = ( 0.4240296 -0.3654602 0.5427145), wk = 0.0021786 k( 446) = ( 0.4294969 -0.3701723 0.5317986), wk = 0.0021786 k( 447) = ( 0.4349643 -0.3748845 0.5208827), wk = 0.0021786 k( 448) = ( 0.4404316 -0.3795967 0.5099668), wk = 0.0021786 k( 449) = ( 0.4458990 -0.3843088 0.4990510), wk = 0.0021786 k( 450) = ( 0.4513663 -0.3890210 0.4881351), wk = 0.0021786 k( 451) = ( 0.4568336 -0.3937332 0.4772192), wk = 0.0021786 k( 452) = ( 0.4623010 -0.3984453 0.4663033), wk = 0.0021786 k( 453) = ( 0.4677683 -0.4031575 0.4553874), wk = 0.0021786 k( 454) = ( 0.4732357 -0.4078697 0.4444715), wk = 0.0021786 k( 455) = ( 0.4787031 -0.4125818 0.4335556), wk = 0.0021786 k( 456) = ( 0.4841704 -0.4172940 0.4226398), wk = 0.0021786 k( 457) = ( 0.5158296 0.5664879 0.0138179), wk = 0.0021786 k( 458) = ( 0.5079148 0.5733094 0.0069090), wk = 0.0021786 k( 459) = ( 0.5000000 0.5801310 0.0000000), wk = 0.0021786 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055934 0.0055934 0.0055934), wk = 0.0021786 k( 3) = ( -0.0111867 0.0111867 0.0111867), wk = 0.0021786 k( 4) = ( -0.0167801 0.0167801 0.0167801), wk = 0.0021786 k( 5) = ( -0.0223734 0.0223734 0.0223734), wk = 0.0021786 k( 6) = ( -0.0279668 0.0279668 0.0279668), wk = 0.0021786 k( 7) = ( -0.0335601 0.0335601 0.0335601), wk = 0.0021786 k( 8) = ( -0.0391535 0.0391535 0.0391535), wk = 0.0021786 k( 9) = ( -0.0447469 0.0447469 0.0447469), wk = 0.0021786 k( 10) = ( -0.0503402 0.0503402 0.0503402), wk = 0.0021786 k( 11) = ( -0.0559336 0.0559336 0.0559336), wk = 0.0021786 k( 12) = ( -0.0615269 0.0615269 0.0615269), wk = 0.0021786 k( 13) = ( -0.0671203 0.0671203 0.0671203), wk = 0.0021786 k( 14) = ( -0.0727137 0.0727137 0.0727137), wk = 0.0021786 k( 15) = ( -0.0783070 0.0783070 0.0783070), wk = 0.0021786 k( 16) = ( -0.0839004 0.0839004 0.0839004), wk = 0.0021786 k( 17) = ( -0.0894937 0.0894937 0.0894937), wk = 0.0021786 k( 18) = ( -0.0950871 0.0950871 0.0950871), wk = 0.0021786 k( 19) = ( -0.1006805 0.1006805 0.1006805), wk = 0.0021786 k( 20) = ( -0.1062738 0.1062738 0.1062738), wk = 0.0021786 k( 21) = ( -0.1118672 0.1118672 0.1118672), wk = 0.0021786 k( 22) = ( -0.1174605 0.1174605 0.1174605), wk = 0.0021786 k( 23) = ( -0.1230539 0.1230539 0.1230539), wk = 0.0021786 k( 24) = ( -0.1286472 0.1286472 0.1286472), wk = 0.0021786 k( 25) = ( -0.1342406 0.1342406 0.1342406), wk = 0.0021786 k( 26) = ( -0.1398340 0.1398340 0.1398340), wk = 0.0021786 k( 27) = ( -0.1454273 0.1454273 0.1454273), wk = 0.0021786 k( 28) = ( -0.1510207 0.1510207 0.1510207), wk = 0.0021786 k( 29) = ( -0.1566140 0.1566140 0.1566140), wk = 0.0021786 k( 30) = ( -0.1622074 0.1622074 0.1622074), wk = 0.0021786 k( 31) = ( -0.1678008 0.1678008 0.1678008), wk = 0.0021786 k( 32) = ( -0.1733941 0.1733941 0.1733941), wk = 0.0021786 k( 33) = ( -0.1789875 0.1789875 0.1789875), wk = 0.0021786 k( 34) = ( -0.1845808 0.1845808 0.1845808), wk = 0.0021786 k( 35) = ( -0.1901742 0.1901742 0.1901742), wk = 0.0021786 k( 36) = ( -0.1957676 0.1957676 0.1957676), wk = 0.0021786 k( 37) = ( -0.2013609 0.2013609 0.2013609), wk = 0.0021786 k( 38) = ( -0.2069543 0.2069543 0.2069543), wk = 0.0021786 k( 39) = ( -0.2125476 0.2125476 0.2125476), wk = 0.0021786 k( 40) = ( -0.2181410 0.2181410 0.2181410), wk = 0.0021786 k( 41) = ( -0.2237343 0.2237344 0.2237343), wk = 0.0021786 k( 42) = ( -0.2293277 0.2293277 0.2293277), wk = 0.0021786 k( 43) = ( -0.2349211 0.2349211 0.2349211), wk = 0.0021786 k( 44) = ( -0.2405144 0.2405144 0.2405144), wk = 0.0021786 k( 45) = ( -0.2461078 0.2461078 0.2461078), wk = 0.0021786 k( 46) = ( -0.2517011 0.2517011 0.2517011), wk = 0.0021786 k( 47) = ( -0.2572945 0.2572945 0.2572945), wk = 0.0021786 k( 48) = ( -0.2628879 0.2628879 0.2628879), wk = 0.0021786 k( 49) = ( -0.2684812 0.2684812 0.2684812), wk = 0.0021786 k( 50) = ( -0.2740746 0.2740746 0.2740746), wk = 0.0021786 k( 51) = ( -0.2796679 0.2796679 0.2796679), wk = 0.0021786 k( 52) = ( -0.2852613 0.2852613 0.2852613), wk = 0.0021786 k( 53) = ( -0.2908546 0.2908546 0.2908546), wk = 0.0021786 k( 54) = ( -0.2964480 0.2964480 0.2964480), wk = 0.0021786 k( 55) = ( -0.3020414 0.3020414 0.3020414), wk = 0.0021786 k( 56) = ( -0.3076347 0.3076347 0.3076347), wk = 0.0021786 k( 57) = ( -0.3132281 0.3132281 0.3132281), wk = 0.0021786 k( 58) = ( -0.3188214 0.3188214 0.3188214), wk = 0.0021786 k( 59) = ( -0.3244148 0.3244148 0.3244148), wk = 0.0021786 k( 60) = ( -0.3300082 0.3300082 0.3300082), wk = 0.0021786 k( 61) = ( -0.3356015 0.3356015 0.3356015), wk = 0.0021786 k( 62) = ( -0.3411949 0.3411949 0.3411949), wk = 0.0021786 k( 63) = ( -0.3467882 0.3467882 0.3467882), wk = 0.0021786 k( 64) = ( -0.3523816 0.3523816 0.3523816), wk = 0.0021786 k( 65) = ( -0.3523816 0.3523816 0.3523816), wk = 0.0021786 k( 66) = ( -0.3444668 0.3444668 0.3602964), wk = 0.0021786 k( 67) = ( -0.3365520 0.3365520 0.3682112), wk = 0.0021786 k( 68) = ( -0.3365520 0.3365520 0.3682112), wk = 0.0021786 k( 69) = ( -0.3263534 0.3263534 0.3722048), wk = 0.0021786 k( 70) = ( -0.3161549 0.3161549 0.3761984), wk = 0.0021786 k( 71) = ( -0.3059563 0.3059563 0.3801920), wk = 0.0021786 k( 72) = ( -0.2957578 0.2957578 0.3841856), wk = 0.0021786 k( 73) = ( -0.2855593 0.2855593 0.3881792), wk = 0.0021786 k( 74) = ( -0.2753607 0.2753607 0.3921728), wk = 0.0021786 k( 75) = ( -0.2651622 0.2651622 0.3961664), wk = 0.0021786 k( 76) = ( -0.2549636 0.2549636 0.4001600), wk = 0.0021786 k( 77) = ( -0.2447651 0.2447651 0.4041536), wk = 0.0021786 k( 78) = ( -0.2345665 0.2345665 0.4081472), wk = 0.0021786 k( 79) = ( -0.2243680 0.2243680 0.4121408), wk = 0.0021786 k( 80) = ( -0.2141695 0.2141695 0.4161344), wk = 0.0021786 k( 81) = ( -0.2039709 0.2039709 0.4201280), wk = 0.0021786 k( 82) = ( -0.1937724 0.1937724 0.4241216), wk = 0.0021786 k( 83) = ( -0.1835738 0.1835738 0.4281152), wk = 0.0021786 k( 84) = ( -0.1733753 0.1733753 0.4321088), wk = 0.0021786 k( 85) = ( -0.1631767 0.1631767 0.4361024), wk = 0.0021786 k( 86) = ( -0.1529782 0.1529782 0.4400960), wk = 0.0021786 k( 87) = ( -0.1427796 0.1427796 0.4440896), wk = 0.0021786 k( 88) = ( -0.1325811 0.1325811 0.4480832), wk = 0.0021786 k( 89) = ( -0.1223825 0.1223825 0.4520768), wk = 0.0021786 k( 90) = ( -0.1121840 0.1121840 0.4560704), wk = 0.0021786 k( 91) = ( -0.1019855 0.1019855 0.4600640), wk = 0.0021786 k( 92) = ( -0.0917869 0.0917869 0.4640576), wk = 0.0021786 k( 93) = ( -0.0815884 0.0815884 0.4680512), wk = 0.0021786 k( 94) = ( -0.0713898 0.0713898 0.4720448), wk = 0.0021786 k( 95) = ( -0.0611913 0.0611913 0.4760384), wk = 0.0021786 k( 96) = ( -0.0509927 0.0509927 0.4800320), wk = 0.0021786 k( 97) = ( -0.0407942 0.0407942 0.4840256), wk = 0.0021786 k( 98) = ( -0.0305956 0.0305956 0.4880192), wk = 0.0021786 k( 99) = ( -0.0203971 0.0203971 0.4920128), wk = 0.0021786 k( 100) = ( -0.0101986 0.0101986 0.4960064), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 103) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021786 k( 104) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021786 k( 105) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021786 k( 106) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021786 k( 107) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0021786 k( 108) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021786 k( 109) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021786 k( 110) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021786 k( 111) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021786 k( 112) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021786 k( 113) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021786 k( 114) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021786 k( 115) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021786 k( 116) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021786 k( 117) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021786 k( 118) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021786 k( 119) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021786 k( 120) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021786 k( 121) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021786 k( 122) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021786 k( 123) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021786 k( 124) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021786 k( 125) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021786 k( 126) = ( 0.2068966 0.2068966 0.2931034), wk = 0.0021786 k( 127) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021786 k( 128) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021786 k( 129) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021786 k( 130) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021786 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 133) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0021786 k( 134) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0021786 k( 135) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0021786 k( 136) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0021786 k( 137) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021786 k( 138) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021786 k( 139) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0021786 k( 140) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0021786 k( 141) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0021786 k( 142) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021786 k( 143) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0021786 k( 144) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021786 k( 145) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0021786 k( 146) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0021786 k( 147) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021786 k( 148) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0021786 k( 149) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0021786 k( 150) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021786 k( 151) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0021786 k( 152) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021786 k( 153) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0021786 k( 154) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0021786 k( 155) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0021786 k( 156) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021786 k( 157) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021786 k( 158) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0021786 k( 159) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0021786 k( 160) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0021786 k( 161) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0021786 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021786 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021786 k( 164) = ( 0.0103642 0.5043417 -0.0103642), wk = 0.0021786 k( 165) = ( 0.0207283 0.5086834 -0.0207283), wk = 0.0021786 k( 166) = ( 0.0310925 0.5130252 -0.0310925), wk = 0.0021786 k( 167) = ( 0.0414567 0.5173669 -0.0414567), wk = 0.0021786 k( 168) = ( 0.0518208 0.5217086 -0.0518208), wk = 0.0021786 k( 169) = ( 0.0621850 0.5260503 -0.0621850), wk = 0.0021786 k( 170) = ( 0.0725492 0.5303920 -0.0725492), wk = 0.0021786 k( 171) = ( 0.0829133 0.5347337 -0.0829133), wk = 0.0021786 k( 172) = ( 0.0932775 0.5390755 -0.0932775), wk = 0.0021786 k( 173) = ( 0.1036417 0.5434172 -0.1036416), wk = 0.0021786 k( 174) = ( 0.1140058 0.5477589 -0.1140058), wk = 0.0021786 k( 175) = ( 0.1243700 0.5521006 -0.1243700), wk = 0.0021786 k( 176) = ( 0.1347341 0.5564423 -0.1347341), wk = 0.0021786 k( 177) = ( 0.1450983 0.5607840 -0.1450983), wk = 0.0021786 k( 178) = ( 0.1554625 0.5651258 -0.1554625), wk = 0.0021786 k( 179) = ( 0.1658266 0.5694675 -0.1658266), wk = 0.0021786 k( 180) = ( 0.1761908 0.5738092 -0.1761908), wk = 0.0021786 k( 181) = ( 0.1865550 0.5781509 -0.1865550), wk = 0.0021786 k( 182) = ( 0.1969191 0.5824926 -0.1969191), wk = 0.0021786 k( 183) = ( 0.2072833 0.5868344 -0.2072833), wk = 0.0021786 k( 184) = ( 0.2176474 0.5911761 -0.2176475), wk = 0.0021786 k( 185) = ( 0.2280116 0.5955178 -0.2280116), wk = 0.0021786 k( 186) = ( 0.2383758 0.5998595 -0.2383758), wk = 0.0021786 k( 187) = ( 0.2487399 0.6042012 -0.2487400), wk = 0.0021786 k( 188) = ( 0.2591041 0.6085430 -0.2591041), wk = 0.0021786 k( 189) = ( 0.2694683 0.6128847 -0.2694683), wk = 0.0021786 k( 190) = ( 0.2798324 0.6172264 -0.2798324), wk = 0.0021786 k( 191) = ( 0.2901966 0.6215681 -0.2901966), wk = 0.0021786 k( 192) = ( 0.3005608 0.6259098 -0.3005608), wk = 0.0021786 k( 193) = ( 0.3109249 0.6302515 -0.3109249), wk = 0.0021786 k( 194) = ( 0.3212891 0.6345932 -0.3212891), wk = 0.0021786 k( 195) = ( 0.3316533 0.6389350 -0.3316533), wk = 0.0021786 k( 196) = ( 0.3420174 0.6432767 -0.3420174), wk = 0.0021786 k( 197) = ( 0.3523816 0.6476184 -0.3523816), wk = 0.0021786 k( 198) = ( 0.3523816 0.6476184 -0.3523816), wk = 0.0021786 k( 199) = ( 0.3578489 0.6421511 -0.3578489), wk = 0.0021786 k( 200) = ( 0.3633163 0.6366837 -0.3633163), wk = 0.0021786 k( 201) = ( 0.3687836 0.6312164 -0.3687836), wk = 0.0021786 k( 202) = ( 0.3742510 0.6257490 -0.3742510), wk = 0.0021786 k( 203) = ( 0.3797183 0.6202817 -0.3797183), wk = 0.0021786 k( 204) = ( 0.3851857 0.6148143 -0.3851857), wk = 0.0021786 k( 205) = ( 0.3906530 0.6093470 -0.3906530), wk = 0.0021786 k( 206) = ( 0.3961204 0.6038796 -0.3961204), wk = 0.0021786 k( 207) = ( 0.4015877 0.5984123 -0.4015877), wk = 0.0021786 k( 208) = ( 0.4070551 0.5929449 -0.4070551), wk = 0.0021786 k( 209) = ( 0.4125224 0.5874776 -0.4125224), wk = 0.0021786 k( 210) = ( 0.4179898 0.5820102 -0.4179898), wk = 0.0021786 k( 211) = ( 0.4234571 0.5765429 -0.4234571), wk = 0.0021786 k( 212) = ( 0.4289245 0.5710755 -0.4289245), wk = 0.0021786 k( 213) = ( 0.4343918 0.5656082 -0.4343918), wk = 0.0021786 k( 214) = ( 0.4398592 0.5601408 -0.4398592), wk = 0.0021786 k( 215) = ( 0.4453265 0.5546735 -0.4453265), wk = 0.0021786 k( 216) = ( 0.4507939 0.5492061 -0.4507939), wk = 0.0021786 k( 217) = ( 0.4562612 0.5437388 -0.4562612), wk = 0.0021786 k( 218) = ( 0.4617286 0.5382714 -0.4617286), wk = 0.0021786 k( 219) = ( 0.4671959 0.5328041 -0.4671959), wk = 0.0021786 k( 220) = ( 0.4726633 0.5273367 -0.4726633), wk = 0.0021786 k( 221) = ( 0.4781306 0.5218694 -0.4781306), wk = 0.0021786 k( 222) = ( 0.4835979 0.5164021 -0.4835980), wk = 0.0021786 k( 223) = ( 0.4890653 0.5109347 -0.4890653), wk = 0.0021786 k( 224) = ( 0.4945327 0.5054673 -0.4945327), wk = 0.0021786 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0021786 k( 228) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0021786 k( 229) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0021786 k( 230) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0021786 k( 231) = ( 0.4561404 0.4561404 -0.4561404), wk = 0.0021786 k( 232) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0021786 k( 233) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0021786 k( 234) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0021786 k( 235) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0021786 k( 236) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0021786 k( 237) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0021786 k( 238) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0021786 k( 239) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0021786 k( 240) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0021786 k( 241) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0021786 k( 242) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0021786 k( 243) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0021786 k( 244) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0021786 k( 245) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021786 k( 246) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0021786 k( 247) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0021786 k( 248) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0021786 k( 249) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0021786 k( 250) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0021786 k( 251) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0021786 k( 252) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0021786 k( 253) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0021786 k( 254) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0021786 k( 255) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0021786 k( 256) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0021786 k( 257) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0021786 k( 258) = ( 0.2192983 0.2192983 -0.2192983), wk = 0.0021786 k( 259) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0021786 k( 260) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0021786 k( 261) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0021786 k( 262) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0021786 k( 263) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0021786 k( 264) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021786 k( 265) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0021786 k( 266) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0021786 k( 267) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0021786 k( 268) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0021786 k( 269) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0021786 k( 270) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0021786 k( 271) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0021786 k( 272) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0021786 k( 273) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0021786 k( 274) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0021786 k( 275) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0021786 k( 276) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0021786 k( 277) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0021786 k( 278) = ( 0.0438597 0.0438597 -0.0438597), wk = 0.0021786 k( 279) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0021786 k( 280) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0021786 k( 281) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0021786 k( 282) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084942 -0.0084942 0.0084942), wk = 0.0021786 k( 286) = ( 0.0169884 -0.0169884 0.0169884), wk = 0.0021786 k( 287) = ( 0.0254826 -0.0254827 0.0254826), wk = 0.0021786 k( 288) = ( 0.0339769 -0.0339769 0.0339769), wk = 0.0021786 k( 289) = ( 0.0424711 -0.0424711 0.0424711), wk = 0.0021786 k( 290) = ( 0.0509653 -0.0509653 0.0509653), wk = 0.0021786 k( 291) = ( 0.0594595 -0.0594595 0.0594595), wk = 0.0021786 k( 292) = ( 0.0679537 -0.0679537 0.0679537), wk = 0.0021786 k( 293) = ( 0.0764480 -0.0764480 0.0764480), wk = 0.0021786 k( 294) = ( 0.0849422 -0.0849422 0.0849422), wk = 0.0021786 k( 295) = ( 0.0934364 -0.0934364 0.0934364), wk = 0.0021786 k( 296) = ( 0.1019306 -0.1019306 0.1019306), wk = 0.0021786 k( 297) = ( 0.1104248 -0.1104248 0.1104248), wk = 0.0021786 k( 298) = ( 0.1189190 -0.1189190 0.1189190), wk = 0.0021786 k( 299) = ( 0.1274133 -0.1274133 0.1274133), wk = 0.0021786 k( 300) = ( 0.1359075 -0.1359075 0.1359075), wk = 0.0021786 k( 301) = ( 0.1444017 -0.1444017 0.1444017), wk = 0.0021786 k( 302) = ( 0.1528959 -0.1528959 0.1528959), wk = 0.0021786 k( 303) = ( 0.1613901 -0.1613901 0.1613901), wk = 0.0021786 k( 304) = ( 0.1698843 -0.1698844 0.1698843), wk = 0.0021786 k( 305) = ( 0.1783786 -0.1783786 0.1783786), wk = 0.0021786 k( 306) = ( 0.1868728 -0.1868728 0.1868728), wk = 0.0021786 k( 307) = ( 0.1953670 -0.1953670 0.1953670), wk = 0.0021786 k( 308) = ( 0.2038612 -0.2038612 0.2038612), wk = 0.0021786 k( 309) = ( 0.2123554 -0.2123554 0.2123554), wk = 0.0021786 k( 310) = ( 0.2208497 -0.2208497 0.2208497), wk = 0.0021786 k( 311) = ( 0.2293439 -0.2293439 0.2293439), wk = 0.0021786 k( 312) = ( 0.2378381 -0.2378381 0.2378381), wk = 0.0021786 k( 313) = ( 0.2463323 -0.2463323 0.2463323), wk = 0.0021786 k( 314) = ( 0.2548265 -0.2548265 0.2548265), wk = 0.0021786 k( 315) = ( 0.2633207 -0.2633207 0.2633207), wk = 0.0021786 k( 316) = ( 0.2718150 -0.2718150 0.2718150), wk = 0.0021786 k( 317) = ( 0.2803092 -0.2803092 0.2803092), wk = 0.0021786 k( 318) = ( 0.2888034 -0.2888034 0.2888034), wk = 0.0021786 k( 319) = ( 0.2972976 -0.2972976 0.2972976), wk = 0.0021786 k( 320) = ( 0.3057918 -0.3057918 0.3057918), wk = 0.0021786 k( 321) = ( 0.3142860 -0.3142860 0.3142860), wk = 0.0021786 k( 322) = ( 0.3227803 -0.3227803 0.3227803), wk = 0.0021786 k( 323) = ( 0.3312745 -0.3312745 0.3312745), wk = 0.0021786 k( 324) = ( 0.3397687 -0.3397687 0.3397687), wk = 0.0021786 k( 325) = ( 0.3482629 -0.3482629 0.3482629), wk = 0.0021786 k( 326) = ( 0.3567571 -0.3567571 0.3567571), wk = 0.0021786 k( 327) = ( 0.3652513 -0.3652514 0.3652514), wk = 0.0021786 k( 328) = ( 0.3737456 -0.3737456 0.3737456), wk = 0.0021786 k( 329) = ( 0.3822398 -0.3822398 0.3822398), wk = 0.0021786 k( 330) = ( 0.3907340 -0.3907340 0.3907340), wk = 0.0021786 k( 331) = ( 0.3992282 -0.3992282 0.3992282), wk = 0.0021786 k( 332) = ( 0.4077224 -0.4077224 0.4077224), wk = 0.0021786 k( 333) = ( 0.4162167 -0.4162167 0.4162167), wk = 0.0021786 k( 334) = ( 0.4247109 -0.4247109 0.4247109), wk = 0.0021786 k( 335) = ( 0.4332051 -0.4332051 0.4332051), wk = 0.0021786 k( 336) = ( 0.4416993 -0.4416993 0.4416993), wk = 0.0021786 k( 337) = ( 0.4501935 -0.4501935 0.4501935), wk = 0.0021786 k( 338) = ( 0.4586877 -0.4586877 0.4586877), wk = 0.0021786 k( 339) = ( 0.4671820 -0.4671820 0.4671820), wk = 0.0021786 k( 340) = ( 0.4756762 -0.4756762 0.4756762), wk = 0.0021786 k( 341) = ( 0.4841704 -0.4841704 0.4841704), wk = 0.0021786 k( 342) = ( 0.4841704 -0.4841704 0.4841704), wk = 0.0021786 k( 343) = ( 0.4845661 -0.4720661 0.4720661), wk = 0.0021786 k( 344) = ( 0.4849619 -0.4599619 0.4599619), wk = 0.0021786 k( 345) = ( 0.4853576 -0.4478576 0.4478576), wk = 0.0021786 k( 346) = ( 0.4857534 -0.4357534 0.4357534), wk = 0.0021786 k( 347) = ( 0.4861491 -0.4236491 0.4236491), wk = 0.0021786 k( 348) = ( 0.4865448 -0.4115448 0.4115448), wk = 0.0021786 k( 349) = ( 0.4869406 -0.3994406 0.3994406), wk = 0.0021786 k( 350) = ( 0.4873363 -0.3873363 0.3873363), wk = 0.0021786 k( 351) = ( 0.4877321 -0.3752321 0.3752321), wk = 0.0021786 k( 352) = ( 0.4881278 -0.3631278 0.3631278), wk = 0.0021786 k( 353) = ( 0.4885235 -0.3510235 0.3510235), wk = 0.0021786 k( 354) = ( 0.4889193 -0.3389193 0.3389193), wk = 0.0021786 k( 355) = ( 0.4893150 -0.3268150 0.3268150), wk = 0.0021786 k( 356) = ( 0.4897108 -0.3147108 0.3147108), wk = 0.0021786 k( 357) = ( 0.4901065 -0.3026065 0.3026065), wk = 0.0021786 k( 358) = ( 0.4905022 -0.2905022 0.2905022), wk = 0.0021786 k( 359) = ( 0.4908980 -0.2783980 0.2783980), wk = 0.0021786 k( 360) = ( 0.4912937 -0.2662937 0.2662937), wk = 0.0021786 k( 361) = ( 0.4916895 -0.2541895 0.2541895), wk = 0.0021786 k( 362) = ( 0.4920852 -0.2420852 0.2420852), wk = 0.0021786 k( 363) = ( 0.4924809 -0.2299809 0.2299809), wk = 0.0021786 k( 364) = ( 0.4928767 -0.2178767 0.2178767), wk = 0.0021786 k( 365) = ( 0.4932724 -0.2057724 0.2057724), wk = 0.0021786 k( 366) = ( 0.4936682 -0.1936682 0.1936682), wk = 0.0021786 k( 367) = ( 0.4940639 -0.1815639 0.1815639), wk = 0.0021786 k( 368) = ( 0.4944596 -0.1694596 0.1694596), wk = 0.0021786 k( 369) = ( 0.4948554 -0.1573554 0.1573554), wk = 0.0021786 k( 370) = ( 0.4952511 -0.1452511 0.1452511), wk = 0.0021786 k( 371) = ( 0.4956469 -0.1331469 0.1331469), wk = 0.0021786 k( 372) = ( 0.4960426 -0.1210426 0.1210426), wk = 0.0021786 k( 373) = ( 0.4964383 -0.1089383 0.1089383), wk = 0.0021786 k( 374) = ( 0.4968341 -0.0968341 0.0968341), wk = 0.0021786 k( 375) = ( 0.4972298 -0.0847298 0.0847298), wk = 0.0021786 k( 376) = ( 0.4976256 -0.0726256 0.0726256), wk = 0.0021786 k( 377) = ( 0.4980213 -0.0605213 0.0605213), wk = 0.0021786 k( 378) = ( 0.4984170 -0.0484170 0.0484170), wk = 0.0021786 k( 379) = ( 0.4988128 -0.0363128 0.0363128), wk = 0.0021786 k( 380) = ( 0.4992085 -0.0242085 0.0242085), wk = 0.0021786 k( 381) = ( 0.4996043 -0.0121043 0.0121043), wk = 0.0021786 k( 382) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021786 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021786 k( 384) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0021786 k( 385) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0021786 k( 386) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0021786 k( 387) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0021786 k( 388) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0021786 k( 389) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0021786 k( 390) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0021786 k( 391) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0021786 k( 392) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0021786 k( 393) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0021786 k( 394) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0021786 k( 395) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0021786 k( 396) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0021786 k( 397) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0021786 k( 398) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0021786 k( 399) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0021786 k( 400) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0021786 k( 401) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0021786 k( 402) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0021786 k( 403) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0021786 k( 404) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0021786 k( 405) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0021786 k( 406) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0021786 k( 407) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0021786 k( 408) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0021786 k( 409) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0021786 k( 410) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0021786 k( 411) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0021786 k( 412) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0021786 k( 413) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0021786 k( 414) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0021786 k( 415) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0021786 k( 416) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0021786 k( 417) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0021786 k( 418) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0021786 k( 419) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0021786 k( 420) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0021786 k( 421) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0021786 k( 422) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0021786 k( 423) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0021786 k( 424) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0021786 k( 425) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0021786 k( 426) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0021786 k( 427) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0021786 k( 428) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 429) = ( 0.3365520 -0.3365520 0.6317888), wk = 0.0021786 k( 430) = ( 0.3420193 -0.3420193 0.6263214), wk = 0.0021786 k( 431) = ( 0.3474867 -0.3474867 0.6208541), wk = 0.0021786 k( 432) = ( 0.3529540 -0.3529540 0.6153868), wk = 0.0021786 k( 433) = ( 0.3584214 -0.3584214 0.6099194), wk = 0.0021786 k( 434) = ( 0.3638887 -0.3638887 0.6044521), wk = 0.0021786 k( 435) = ( 0.3693561 -0.3693561 0.5989847), wk = 0.0021786 k( 436) = ( 0.3748234 -0.3748234 0.5935174), wk = 0.0021786 k( 437) = ( 0.3802908 -0.3802908 0.5880500), wk = 0.0021786 k( 438) = ( 0.3857581 -0.3857581 0.5825827), wk = 0.0021786 k( 439) = ( 0.3912255 -0.3912255 0.5771153), wk = 0.0021786 k( 440) = ( 0.3966928 -0.3966928 0.5716480), wk = 0.0021786 k( 441) = ( 0.4021602 -0.4021602 0.5661806), wk = 0.0021786 k( 442) = ( 0.4076275 -0.4076275 0.5607133), wk = 0.0021786 k( 443) = ( 0.4130949 -0.4130949 0.5552459), wk = 0.0021786 k( 444) = ( 0.4185622 -0.4185622 0.5497786), wk = 0.0021786 k( 445) = ( 0.4240296 -0.4240296 0.5443112), wk = 0.0021786 k( 446) = ( 0.4294969 -0.4294969 0.5388439), wk = 0.0021786 k( 447) = ( 0.4349643 -0.4349643 0.5333765), wk = 0.0021786 k( 448) = ( 0.4404316 -0.4404316 0.5279092), wk = 0.0021786 k( 449) = ( 0.4458990 -0.4458990 0.5224418), wk = 0.0021786 k( 450) = ( 0.4513663 -0.4513663 0.5169745), wk = 0.0021786 k( 451) = ( 0.4568336 -0.4568337 0.5115071), wk = 0.0021786 k( 452) = ( 0.4623010 -0.4623010 0.5060398), wk = 0.0021786 k( 453) = ( 0.4677683 -0.4677683 0.5005724), wk = 0.0021786 k( 454) = ( 0.4732357 -0.4732357 0.4951051), wk = 0.0021786 k( 455) = ( 0.4787031 -0.4787031 0.4896377), wk = 0.0021786 k( 456) = ( 0.4841704 -0.4841704 0.4841704), wk = 0.0021786 k( 457) = ( 0.5158296 0.4841704 -0.4841704), wk = 0.0021786 k( 458) = ( 0.5079148 0.4920852 -0.4920852), wk = 0.0021786 k( 459) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 Dense grid: 35425 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 26645 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 150, 34) NL pseudopotentials 0.06 Mb ( 75, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 738) G-vector shells 0.01 Mb ( 716) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 150, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.2 secs Computing kpt #: 2 total cpu time spent up to now is 41.2 secs Computing kpt #: 3 total cpu time spent up to now is 42.2 secs Computing kpt #: 4 total cpu time spent up to now is 43.1 secs Computing kpt #: 5 total cpu time spent up to now is 44.2 secs Computing kpt #: 6 total cpu time spent up to now is 45.3 secs Computing kpt #: 7 total cpu time spent up to now is 46.5 secs Computing kpt #: 8 total cpu time spent up to now is 47.6 secs Computing kpt #: 9 total cpu time spent up to now is 48.7 secs Computing kpt #: 10 total cpu time spent up to now is 49.7 secs Computing kpt #: 11 total cpu time spent up to now is 50.6 secs Computing kpt #: 12 total cpu time spent up to now is 51.6 secs Computing kpt #: 13 total cpu time spent up to now is 52.6 secs Computing kpt #: 14 total cpu time spent up to now is 53.5 secs Computing kpt #: 15 total cpu time spent up to now is 54.8 secs Computing kpt #: 16 total cpu time spent up to now is 55.7 secs Computing kpt #: 17 total cpu time spent up to now is 57.0 secs Computing kpt #: 18 total cpu time spent up to now is 58.3 secs Computing kpt #: 19 total cpu time spent up to now is 59.5 secs Computing kpt #: 20 total cpu time spent up to now is 60.5 secs Computing kpt #: 21 total cpu time spent up to now is 61.8 secs Computing kpt #: 22 total cpu time spent up to now is 62.8 secs Computing kpt #: 23 total cpu time spent up to now is 63.8 secs Computing kpt #: 24 total cpu time spent up to now is 64.9 secs Computing kpt #: 25 total cpu time spent up to now is 65.9 secs Computing kpt #: 26 total cpu time spent up to now is 66.7 secs Computing kpt #: 27 total cpu time spent up to now is 67.5 secs Computing kpt #: 28 total cpu time spent up to now is 68.3 secs Computing kpt #: 29 total cpu time spent up to now is 69.3 secs Computing kpt #: 30 total cpu time spent up to now is 70.2 secs Computing kpt #: 31 total cpu time spent up to now is 71.0 secs Computing kpt #: 32 total cpu time spent up to now is 71.9 secs Computing kpt #: 33 total cpu time spent up to now is 72.6 secs Computing kpt #: 34 total cpu time spent up to now is 73.3 secs Computing kpt #: 35 total cpu time spent up to now is 74.0 secs Computing kpt #: 36 total cpu time spent up to now is 74.6 secs Computing kpt #: 37 total cpu time spent up to now is 75.4 secs Computing kpt #: 38 total cpu time spent up to now is 76.1 secs Computing kpt #: 39 total cpu time spent up to now is 76.9 secs Computing kpt #: 40 total cpu time spent up to now is 77.7 secs Computing kpt #: 41 total cpu time spent up to now is 78.5 secs Computing kpt #: 42 total cpu time spent up to now is 79.2 secs Computing kpt #: 43 total cpu time spent up to now is 79.8 secs Computing kpt #: 44 total cpu time spent up to now is 80.5 secs Computing kpt #: 45 total cpu time spent up to now is 81.2 secs Computing kpt #: 46 total cpu time spent up to now is 81.9 secs Computing kpt #: 47 total cpu time spent up to now is 82.7 secs Computing kpt #: 48 total cpu time spent up to now is 83.4 secs Computing kpt #: 49 total cpu time spent up to now is 84.1 secs Computing kpt #: 50 total cpu time spent up to now is 85.0 secs Computing kpt #: 51 total cpu time spent up to now is 86.0 secs Computing kpt #: 52 total cpu time spent up to now is 86.9 secs Computing kpt #: 53 total cpu time spent up to now is 87.9 secs Computing kpt #: 54 total cpu time spent up to now is 88.7 secs Computing kpt #: 55 total cpu time spent up to now is 89.6 secs Computing kpt #: 56 total cpu time spent up to now is 90.5 secs Computing kpt #: 57 total cpu time spent up to now is 91.4 secs Computing kpt #: 58 total cpu time spent up to now is 92.1 secs Computing kpt #: 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is 105.7 secs Computing kpt #: 75 total cpu time spent up to now is 106.6 secs Computing kpt #: 76 total cpu time spent up to now is 107.6 secs Computing kpt #: 77 total cpu time spent up to now is 108.3 secs Computing kpt #: 78 total cpu time spent up to now is 109.2 secs Computing kpt #: 79 total cpu time spent up to now is 110.0 secs Computing kpt #: 80 total cpu time spent up to now is 110.9 secs Computing kpt #: 81 total cpu time spent up to now is 111.9 secs Computing kpt #: 82 total cpu time spent up to now is 112.8 secs Computing kpt #: 83 total cpu time spent up to now is 113.7 secs Computing kpt #: 84 total cpu time spent up to now is 114.5 secs Computing kpt #: 85 total cpu time spent up to now is 115.4 secs Computing kpt #: 86 total cpu time spent up to now is 116.2 secs Computing kpt #: 87 total cpu time spent up to now is 117.2 secs Computing kpt #: 88 total cpu time spent up to now is 118.0 secs Computing kpt #: 89 total cpu time spent up to now is 118.9 secs Computing kpt #: 90 total cpu time spent up to now is 119.8 secs Computing kpt #: 91 total cpu time spent up to now is 120.6 secs Computing kpt #: 92 total cpu time spent up to now is 121.4 secs Computing kpt #: 93 total cpu time spent up to now is 122.1 secs Computing kpt #: 94 total cpu time spent up to now is 123.0 secs Computing kpt #: 95 total cpu time spent up to now is 123.8 secs Computing kpt #: 96 total cpu time spent up to now is 124.7 secs Computing kpt #: 97 total cpu time spent up to now is 125.6 secs Computing kpt #: 98 total cpu time spent up to now is 126.4 secs Computing kpt #: 99 total cpu time spent up to now is 127.1 secs Computing kpt #: 100 total cpu time spent up to now is 127.9 secs Computing kpt #: 101 total cpu time spent up to now is 128.7 secs Computing kpt #: 102 total cpu time spent up to now is 129.4 secs Computing kpt #: 103 total cpu time spent up to now is 130.2 secs Computing kpt #: 104 total cpu time spent up to now is 130.9 secs Computing kpt #: 105 total cpu time spent up to now is 131.8 secs Computing kpt #: 106 total cpu time spent up to now is 132.7 secs Computing kpt #: 107 total cpu time spent up to now is 133.4 secs Computing kpt #: 108 total cpu time spent up to now is 134.1 secs Computing kpt #: 109 total cpu time spent up to now is 135.0 secs Computing kpt #: 110 total cpu time spent up to now is 135.8 secs Computing kpt #: 111 total cpu time spent up to now is 136.6 secs Computing kpt #: 112 total cpu time spent up to now is 137.2 secs Computing kpt #: 113 total cpu time spent up to now is 137.9 secs Computing kpt #: 114 total cpu time spent up to now is 138.6 secs Computing kpt #: 115 total cpu time spent up to now is 139.2 secs Computing kpt #: 116 total cpu time spent up to now is 139.8 secs Computing kpt #: 117 total cpu time spent up to now is 140.5 secs Computing kpt #: 118 total cpu time spent up to now is 141.2 secs Computing kpt #: 119 total cpu time spent up to now is 141.9 secs Computing kpt #: 120 total cpu time spent up to now is 142.6 secs Computing kpt #: 121 total cpu time spent up to now is 143.4 secs Computing kpt #: 122 total cpu time spent up to now is 144.1 secs Computing kpt #: 123 total cpu time spent up to now is 144.8 secs Computing kpt #: 124 total cpu time spent up to now is 145.4 secs Computing kpt #: 125 total cpu time spent up to now is 146.0 secs Computing kpt #: 126 total cpu time spent up to now is 146.7 secs Computing kpt #: 127 total cpu time spent up to now is 147.4 secs Computing kpt #: 128 total cpu time spent up to now is 148.1 secs Computing kpt #: 129 total cpu time spent up to now is 148.8 secs Computing kpt #: 130 total cpu time spent up to now is 149.5 secs Computing kpt #: 131 total cpu time spent up to now is 150.1 secs Computing kpt #: 132 total cpu time spent up to now is 150.7 secs Computing kpt #: 133 total cpu time spent up to now is 151.4 secs Computing kpt #: 134 total cpu time spent up to now is 152.0 secs Computing kpt #: 135 total cpu time spent up to now is 152.6 secs Computing kpt #: 136 total cpu time spent up to now is 153.3 secs Computing kpt #: 137 total cpu time spent up to now is 154.1 secs Computing kpt #: 138 total cpu time spent up to now is 154.8 secs Computing kpt #: 139 total cpu time spent up to now is 155.6 secs Computing kpt #: 140 total cpu time spent up to now is 156.4 secs Computing kpt #: 141 total cpu time spent up to now is 157.2 secs Computing kpt #: 142 total cpu time spent up to now is 157.9 secs Computing kpt #: 143 total cpu time spent up to now is 158.6 secs Computing kpt #: 144 total cpu time spent up to now is 159.5 secs Computing kpt #: 145 total cpu time spent up to now is 160.4 secs Computing kpt #: 146 total cpu time spent up to now is 161.2 secs Computing kpt #: 147 total cpu time spent up to now is 162.0 secs Computing kpt #: 148 total cpu time spent up to now is 162.8 secs Computing kpt #: 149 total cpu time spent up to now is 163.5 secs Computing kpt #: 150 total cpu time spent up to now is 164.2 secs Computing kpt #: 151 total cpu time spent up to now is 165.0 secs Computing kpt #: 152 total cpu time spent up to now is 165.8 secs Computing kpt #: 153 total cpu time spent up to now is 166.5 secs Computing kpt #: 154 total cpu time spent up to now is 167.2 secs Computing kpt #: 155 total cpu time spent up to now is 168.0 secs Computing kpt #: 156 total cpu time spent up to now is 168.7 secs Computing kpt #: 157 total cpu time spent up to now is 169.5 secs Computing kpt #: 158 total cpu time spent up to now is 170.2 secs Computing kpt #: 159 total cpu time spent up to now is 171.0 secs Computing kpt #: 160 total cpu time spent up to now is 171.8 secs Computing kpt #: 161 total cpu time spent up to now is 172.4 secs Computing kpt #: 162 total cpu time spent up to now is 173.1 secs Computing kpt #: 163 total cpu time spent up to now is 173.9 secs Computing kpt #: 164 total cpu time spent up to now is 174.5 secs Computing kpt #: 165 total cpu time spent up to now is 175.2 secs Computing kpt #: 166 total cpu time spent up to now is 175.9 secs Computing kpt #: 167 total cpu time spent up to now is 176.6 secs Computing kpt #: 168 total cpu time spent up to now is 177.3 secs Computing kpt #: 169 total cpu time spent up to now is 178.0 secs Computing kpt #: 170 total cpu time spent up to now is 178.8 secs Computing kpt #: 171 total cpu time spent up to now is 179.4 secs Computing kpt #: 172 total cpu time spent up to now is 180.1 secs Computing kpt #: 173 total cpu time spent up to now is 180.8 secs Computing kpt #: 174 total cpu time spent up to now is 181.5 secs Computing kpt #: 175 total cpu time spent up to now is 182.2 secs Computing kpt #: 176 total cpu time spent up to now is 182.9 secs Computing kpt #: 177 total cpu time spent up to now is 183.7 secs Computing kpt #: 178 total cpu time spent up to now is 184.6 secs Computing kpt #: 179 total cpu time spent up to now is 185.4 secs Computing kpt #: 180 total cpu time spent up to now is 186.2 secs Computing kpt #: 181 total cpu time spent up to now is 186.9 secs Computing kpt #: 182 total cpu time spent up to now is 187.6 secs Computing kpt #: 183 total cpu time spent up to now is 188.5 secs Computing kpt #: 184 total cpu time spent up to now is 189.4 secs Computing kpt #: 185 total cpu time spent up to now is 190.1 secs Computing kpt #: 186 total cpu time spent up to now is 190.9 secs Computing kpt #: 187 total cpu time spent up to now is 191.7 secs Computing kpt #: 188 total cpu time spent up to now is 192.5 secs Computing kpt #: 189 total cpu time spent up to now is 193.3 secs Computing kpt #: 190 total cpu time spent up to now is 194.2 secs Computing kpt #: 191 total cpu time spent up to now is 195.1 secs Computing kpt #: 192 total cpu time spent up to now is 196.0 secs Computing kpt #: 193 total cpu time spent up to now is 196.9 secs Computing kpt #: 194 total cpu time spent up to now is 197.7 secs Computing kpt #: 195 total cpu time spent up to now is 198.6 secs Computing kpt #: 196 total cpu time spent up to now is 199.3 secs Computing kpt #: 197 total cpu time spent up to now is 200.1 secs Computing kpt #: 198 total cpu time spent up to now is 201.0 secs Computing kpt #: 199 total cpu time spent up to now is 201.9 secs Computing kpt #: 200 total cpu time spent up to now is 202.8 secs Computing kpt #: 201 total cpu time spent up to now is 203.7 secs Computing kpt #: 202 total cpu time spent up to now is 204.5 secs Computing kpt #: 203 total cpu time spent up to now is 205.2 secs Computing kpt #: 204 total cpu time spent up to now is 206.0 secs Computing kpt #: 205 total cpu time spent up to now is 207.2 secs Computing kpt #: 206 total cpu time spent up to now is 208.5 secs Computing kpt #: 207 total cpu time spent up to now is 209.9 secs Computing kpt #: 208 total cpu time spent up to now is 210.9 secs Computing kpt #: 209 total cpu time spent up to now is 212.2 secs Computing kpt #: 210 total cpu time spent up to now is 213.1 secs Computing kpt #: 211 total cpu time spent up to now is 213.7 secs Computing kpt #: 212 total cpu time spent up to now is 214.5 secs Computing kpt #: 213 total cpu time spent up to now is 215.1 secs Computing kpt #: 214 total cpu time spent up to now is 215.7 secs Computing kpt #: 215 total cpu time spent up to now is 216.4 secs Computing kpt #: 216 total cpu time spent up to now is 217.0 secs Computing kpt #: 217 total cpu time spent up to now is 217.7 secs Computing kpt #: 218 total cpu time spent up to now is 218.5 secs Computing kpt #: 219 total cpu time spent up to now is 219.1 secs Computing kpt #: 220 total cpu time spent up to now is 219.8 secs Computing kpt #: 221 total cpu time spent up to now is 220.5 secs Computing kpt #: 222 total cpu time spent up to now is 221.2 secs Computing kpt #: 223 total cpu time spent up to now is 221.8 secs Computing kpt #: 224 total cpu time spent up to now is 222.4 secs Computing kpt #: 225 total cpu time spent up to now is 223.0 secs Computing kpt #: 226 total cpu time spent 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is 232.9 secs Computing kpt #: 242 total cpu time spent up to now is 233.5 secs Computing kpt #: 243 total cpu time spent up to now is 234.2 secs Computing kpt #: 244 total cpu time spent up to now is 234.8 secs Computing kpt #: 245 total cpu time spent up to now is 235.4 secs Computing kpt #: 246 total cpu time spent up to now is 236.0 secs Computing kpt #: 247 total cpu time spent up to now is 236.6 secs Computing kpt #: 248 total cpu time spent up to now is 237.2 secs Computing kpt #: 249 total cpu time spent up to now is 237.8 secs Computing kpt #: 250 total cpu time spent up to now is 238.4 secs Computing kpt #: 251 total cpu time spent up to now is 239.0 secs Computing kpt #: 252 total cpu time spent up to now is 239.6 secs Computing kpt #: 253 total cpu time spent up to now is 240.2 secs Computing kpt #: 254 total cpu time spent up to now is 240.9 secs Computing kpt #: 255 total cpu time spent up to now is 241.5 secs Computing kpt #: 256 total cpu time spent up to now is 242.1 secs Computing kpt #: 257 total cpu time spent up to now is 242.7 secs Computing kpt #: 258 total cpu time spent up to now is 243.5 secs Computing kpt #: 259 total cpu time spent up to now is 244.3 secs Computing kpt #: 260 total cpu time spent up to now is 245.0 secs Computing kpt #: 261 total cpu time spent up to now is 245.8 secs Computing kpt #: 262 total cpu time spent up to now is 246.4 secs Computing kpt #: 263 total cpu time spent up to now is 247.1 secs Computing kpt #: 264 total cpu time spent up to now is 247.8 secs Computing kpt #: 265 total cpu time spent up to now is 248.5 secs Computing kpt #: 266 total cpu time spent up to now is 249.3 secs Computing kpt #: 267 total cpu time spent up to now is 250.0 secs Computing kpt #: 268 total cpu time spent up to now is 250.8 secs Computing kpt #: 269 total cpu time spent up to now is 251.5 secs Computing kpt #: 270 total cpu time spent up to now is 252.2 secs Computing kpt #: 271 total cpu time spent up to now is 253.1 secs 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total cpu time spent up to now is 280.0 secs Computing kpt #: 303 total cpu time spent up to now is 280.8 secs Computing kpt #: 304 total cpu time spent up to now is 281.7 secs Computing kpt #: 305 total cpu time spent up to now is 282.5 secs Computing kpt #: 306 total cpu time spent up to now is 283.4 secs Computing kpt #: 307 total cpu time spent up to now is 284.2 secs Computing kpt #: 308 total cpu time spent up to now is 285.0 secs Computing kpt #: 309 total cpu time spent up to now is 286.1 secs Computing kpt #: 310 total cpu time spent up to now is 286.9 secs Computing kpt #: 311 total cpu time spent up to now is 287.8 secs Computing kpt #: 312 total cpu time spent up to now is 288.6 secs Computing kpt #: 313 total cpu time spent up to now is 289.5 secs Computing kpt #: 314 total cpu time spent up to now is 290.4 secs Computing kpt #: 315 total cpu time spent up to now is 291.2 secs Computing kpt #: 316 total cpu time spent up to now is 292.0 secs Computing kpt #: 317 total cpu 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up to now is 305.0 secs Computing kpt #: 333 total cpu time spent up to now is 305.8 secs Computing kpt #: 334 total cpu time spent up to now is 306.7 secs Computing kpt #: 335 total cpu time spent up to now is 307.4 secs Computing kpt #: 336 total cpu time spent up to now is 308.2 secs Computing kpt #: 337 total cpu time spent up to now is 308.9 secs Computing kpt #: 338 total cpu time spent up to now is 309.6 secs Computing kpt #: 339 total cpu time spent up to now is 310.3 secs Computing kpt #: 340 total cpu time spent up to now is 311.0 secs Computing kpt #: 341 total cpu time spent up to now is 311.6 secs Computing kpt #: 342 total cpu time spent up to now is 312.3 secs Computing kpt #: 343 total cpu time spent up to now is 312.9 secs Computing kpt #: 344 total cpu time spent up to now is 313.5 secs Computing kpt #: 345 total cpu time spent up to now is 314.3 secs Computing kpt #: 346 total cpu time spent up to now is 315.1 secs Computing kpt #: 347 total cpu time spent up to now is 315.9 secs Computing kpt #: 348 total cpu time spent up to now is 316.8 secs Computing kpt #: 349 total cpu time spent up to now is 317.6 secs Computing kpt #: 350 total cpu time spent up to now is 318.2 secs Computing kpt #: 351 total cpu time spent up to now is 319.0 secs Computing kpt #: 352 total cpu time spent up to now is 319.9 secs Computing kpt #: 353 total cpu time spent up to now is 320.5 secs Computing kpt #: 354 total cpu time spent up to now is 321.4 secs Computing kpt #: 355 total cpu time spent up to now is 322.1 secs Computing kpt #: 356 total cpu time spent up to now is 322.9 secs Computing kpt #: 357 total cpu time spent up to now is 323.6 secs Computing kpt #: 358 total cpu time spent up to now is 324.5 secs Computing kpt #: 359 total cpu time spent up to now is 325.2 secs Computing kpt #: 360 total cpu time spent up to now is 326.0 secs Computing kpt #: 361 total cpu time spent up to now is 326.9 secs Computing kpt #: 362 total cpu time spent up to now is 327.8 secs Computing kpt #: 363 total cpu time spent up to now is 328.5 secs Computing kpt #: 364 total cpu time spent up to now is 329.4 secs Computing kpt #: 365 total cpu time spent up to now is 330.3 secs Computing kpt #: 366 total cpu time spent up to now is 331.2 secs Computing kpt #: 367 total cpu time spent up to now is 332.0 secs Computing kpt #: 368 total cpu time spent up to now is 332.8 secs Computing kpt #: 369 total cpu time spent up to now is 333.5 secs Computing kpt #: 370 total cpu time spent up to now is 334.4 secs Computing kpt #: 371 total cpu time spent up to now is 335.1 secs Computing kpt #: 372 total cpu time spent up to now is 335.9 secs Computing kpt #: 373 total cpu time spent up to now is 336.6 secs Computing kpt #: 374 total cpu time spent up to now is 337.2 secs Computing kpt #: 375 total cpu time spent up to now is 337.9 secs Computing kpt #: 376 total cpu time spent up to now is 338.5 secs Computing kpt #: 377 total cpu time spent up to now is 339.2 secs Computing kpt #: 378 total cpu time spent up to now is 340.0 secs Computing kpt #: 379 total cpu time spent up to now is 340.8 secs Computing kpt #: 380 total cpu time spent up to now is 341.5 secs Computing kpt #: 381 total cpu time spent up to now is 342.3 secs Computing kpt #: 382 total cpu time spent up to now is 343.1 secs Computing kpt #: 383 total cpu time spent up to now is 343.7 secs Computing kpt #: 384 total cpu time spent up to now is 344.5 secs Computing kpt #: 385 total cpu time spent up to now is 345.3 secs Computing kpt #: 386 total cpu time spent up to now is 346.1 secs Computing kpt #: 387 total cpu time spent up to now is 346.9 secs Computing kpt #: 388 total cpu time spent up to now is 347.6 secs Computing kpt #: 389 total cpu time spent up to now is 348.3 secs Computing kpt #: 390 total cpu time spent up to now is 349.0 secs Computing kpt #: 391 total cpu time spent up to now is 349.7 secs Computing kpt #: 392 total cpu time spent up to now is 350.4 secs Computing kpt #: 393 total cpu time spent up to now is 351.2 secs Computing kpt #: 394 total cpu time spent up to now is 352.0 secs Computing kpt #: 395 total cpu time spent up to now is 352.9 secs Computing kpt #: 396 total cpu time spent up to now is 353.7 secs Computing kpt #: 397 total cpu time spent up to now is 354.5 secs Computing kpt #: 398 total cpu time spent up to now is 355.4 secs Computing kpt #: 399 total cpu time spent up to now is 356.2 secs Computing kpt #: 400 total cpu time spent up to now is 357.2 secs Computing kpt #: 401 total cpu time spent up to now is 358.2 secs Computing kpt #: 402 total cpu time spent up to now is 359.1 secs Computing kpt #: 403 total cpu time spent up to now is 360.0 secs Computing kpt #: 404 total cpu time spent up to now is 361.0 secs Computing kpt #: 405 total cpu time spent up to now is 362.0 secs Computing kpt #: 406 total cpu time spent up to now is 362.9 secs Computing kpt #: 407 total cpu time spent up to now is 363.9 secs Computing kpt #: 408 total cpu time spent up to now is 364.8 secs Computing kpt #: 409 total cpu time spent up to now is 365.8 secs Computing kpt #: 410 total cpu time spent up to now is 366.6 secs Computing kpt #: 411 total cpu time spent up to now is 367.5 secs Computing kpt #: 412 total cpu time spent up to now is 368.5 secs Computing kpt #: 413 total cpu time spent up to now is 369.2 secs Computing kpt #: 414 total cpu time spent up to now is 370.1 secs Computing kpt #: 415 total cpu time spent up to now is 371.0 secs Computing kpt #: 416 total cpu time spent up to now is 371.8 secs Computing kpt #: 417 total cpu time spent up to now is 372.7 secs Computing kpt #: 418 total cpu time spent up to now is 373.5 secs Computing kpt #: 419 total cpu time spent up to now is 374.3 secs Computing kpt #: 420 total cpu time spent up to now is 375.0 secs Computing kpt #: 421 total cpu time spent up to now is 375.7 secs Computing kpt #: 422 total cpu time spent up to now is 376.7 secs Computing kpt #: 423 total cpu time spent up to now is 377.3 secs Computing kpt #: 424 total cpu time spent up to now is 377.9 secs Computing kpt #: 425 total cpu time spent up to now is 378.6 secs Computing kpt #: 426 total cpu time spent up to now is 379.2 secs Computing kpt #: 427 total cpu time spent up to now is 379.9 secs Computing kpt #: 428 total cpu time spent up to now is 380.4 secs Computing kpt #: 429 total cpu time spent up to now is 381.4 secs Computing kpt #: 430 total cpu time spent up to now is 382.4 secs Computing kpt #: 431 total cpu time spent up to now is 383.2 secs Computing kpt #: 432 total cpu time spent up to now is 384.0 secs Computing kpt #: 433 total cpu time spent up to now is 384.9 secs Computing kpt #: 434 total cpu time spent up to now is 385.6 secs Computing kpt #: 435 total cpu time spent up to now is 386.6 secs Computing kpt #: 436 total cpu time spent up to now is 387.4 secs Computing kpt #: 437 total cpu time spent up to now is 388.2 secs Computing kpt #: 438 total cpu time spent up to now is 389.1 secs Computing kpt #: 439 total cpu time spent up to now is 389.7 secs Computing kpt #: 440 total cpu time spent up to now is 390.6 secs Computing kpt #: 441 total cpu time spent up to now is 391.3 secs Computing kpt #: 442 total cpu time spent up to now is 392.0 secs Computing kpt #: 443 total cpu time spent up to now is 392.9 secs Computing kpt #: 444 total cpu time spent up to now is 393.5 secs Computing kpt #: 445 total cpu time spent up to now is 394.2 secs Computing kpt #: 446 total cpu time spent up to now is 395.0 secs Computing kpt #: 447 total cpu time spent up to now is 395.6 secs Computing kpt #: 448 total cpu time spent up to now is 396.3 secs Computing kpt #: 449 total cpu time spent up to now is 397.0 secs Computing kpt #: 450 total cpu time spent up to now is 397.6 secs Computing kpt #: 451 total cpu time spent up to now is 398.3 secs Computing kpt #: 452 total cpu time spent up to now is 399.2 secs Computing kpt #: 453 total cpu time spent up to now is 399.8 secs Computing kpt #: 454 total cpu time spent up to now is 400.6 secs Computing kpt #: 455 total cpu time spent up to now is 401.3 secs Computing kpt #: 456 total cpu time spent up to now is 401.9 secs Computing kpt #: 457 total cpu time spent up to now is 402.6 secs Computing kpt #: 458 total cpu time spent up to now is 403.2 secs Computing kpt #: 459 total cpu time spent up to now is 403.8 secs ethr = 3.85E-11, avg # of iterations = 27.8 total cpu time spent up to now is 404.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3325 PWs) bands (ev): -47.5064 -47.5064 -22.5562 -22.5562 -19.5582 -19.5582 -19.3909 -19.3909 -19.3627 -19.3627 -17.7407 -17.7407 -7.6214 -7.6214 -4.6844 -4.6844 -4.2750 -4.2750 -4.0910 -4.0910 -0.0193 -0.0193 0.8134 0.8134 1.6314 1.6314 5.1287 5.1287 8.1365 8.1365 12.8426 12.8426 14.1792 14.1792 k =-0.0056 0.0048 0.0112 ( 3325 PWs) bands (ev): -47.5064 -47.5064 -22.5562 -22.5562 -19.5583 -19.5581 -19.3910 -19.3908 -19.3629 -19.3626 -17.7407 -17.7407 -7.6213 -7.6213 -4.6842 -4.6842 -4.2766 -4.2749 -4.0918 -4.0901 -0.0198 -0.0197 0.8135 0.8136 1.6317 1.6318 5.1279 5.1280 8.1382 8.1383 12.8425 12.8425 14.1812 14.1812 k =-0.0112 0.0096 0.0223 ( 3331 PWs) bands (ev): -47.5064 -47.5064 -22.5560 -22.5560 -19.5584 -19.5580 -19.3910 -19.3907 -19.3632 -19.3625 -17.7408 -17.7408 -7.6212 -7.6212 -4.6838 -4.6838 -4.2798 -4.2766 -4.0924 -4.0890 -0.0213 -0.0211 0.8140 0.8141 1.6330 1.6332 5.1255 5.1258 8.1434 8.1437 12.8422 12.8423 14.1873 14.1874 k =-0.0168 0.0145 0.0335 ( 3327 PWs) bands (ev): -47.5064 -47.5064 -22.5557 -22.5557 -19.5584 -19.5579 -19.3910 -19.3906 -19.3634 -19.3624 -17.7411 -17.7411 -7.6211 -7.6210 -4.6830 -4.6830 -4.2845 -4.2799 -4.0927 -4.0878 -0.0237 -0.0235 0.8147 0.8150 1.6351 1.6354 5.1216 5.1220 8.1521 8.1526 12.8418 12.8420 14.1974 14.1975 k =-0.0224 0.0193 0.0447 ( 3331 PWs) bands (ev): -47.5064 -47.5064 -22.5553 -22.5553 -19.5585 -19.5578 -19.3911 -19.3905 -19.3636 -19.3623 -17.7414 -17.7414 -7.6208 -7.6208 -4.6820 -4.6820 -4.2908 -4.2848 -4.0928 -4.0864 -0.0270 -0.0268 0.8158 0.8161 1.6381 1.6385 5.1162 5.1167 8.1643 8.1649 12.8413 12.8415 14.2116 14.2116 k =-0.0280 0.0241 0.0558 ( 3327 PWs) bands (ev): -47.5063 -47.5063 -22.5548 -22.5548 -19.5585 -19.5576 -19.3910 -19.3903 -19.3639 -19.3623 -17.7417 -17.7417 -7.6205 -7.6204 -4.6807 -4.6807 -4.2984 -4.2913 -4.0926 -4.0850 -0.0313 -0.0310 0.8173 0.8176 1.6419 1.6424 5.1094 5.1100 8.1799 8.1807 12.8405 12.8408 14.2295 14.2296 k =-0.0336 0.0289 0.0670 ( 3331 PWs) bands (ev): -47.5063 -47.5063 -22.5542 -22.5542 -19.5586 -19.5575 -19.3910 -19.3901 -19.3642 -19.3623 -17.7422 -17.7422 -7.6201 -7.6201 -4.6791 -4.6791 -4.3075 -4.2994 -4.0921 -4.0835 -0.0364 -0.0361 0.8190 0.8195 1.6464 1.6470 5.1012 5.1019 8.1989 8.1999 12.8395 12.8398 14.2513 14.2514 k =-0.0392 0.0337 0.0782 ( 3331 PWs) bands (ev): -47.5063 -47.5063 -22.5535 -22.5535 -19.5586 -19.5573 -19.3909 -19.3899 -19.3646 -19.3623 -17.7428 -17.7428 -7.6197 -7.6196 -4.6772 -4.6772 -4.3179 -4.3090 -4.0915 -4.0819 -0.0424 -0.0421 0.8211 0.8216 1.6518 1.6524 5.0917 5.0925 8.2213 8.2224 12.8383 12.8386 14.2767 14.2768 k =-0.0447 0.0386 0.0893 ( 3335 PWs) bands (ev): -47.5063 -47.5063 -22.5527 -22.5527 -19.5586 -19.5572 -19.3909 -19.3897 -19.3649 -19.3623 -17.7434 -17.7434 -7.6192 -7.6191 -4.6751 -4.6751 -4.3296 -4.3201 -4.0906 -4.0804 -0.0492 -0.0488 0.8234 0.8241 1.6578 1.6586 5.0809 5.0819 8.2469 8.2481 12.8367 12.8371 14.3054 14.3055 k =-0.0503 0.0434 0.1005 ( 3335 PWs) bands (ev): -47.5063 -47.5063 -22.5518 -22.5517 -19.5587 -19.5570 -19.3908 -19.3895 -19.3653 -19.3624 -17.7441 -17.7441 -7.6187 -7.6186 -4.6727 -4.6726 -4.3425 -4.3325 -4.0895 -4.0787 -0.0569 -0.0564 0.8261 0.8268 1.6646 1.6654 5.0690 5.0700 8.2757 8.2771 12.8348 12.8352 14.3373 14.3374 k =-0.0559 0.0482 0.1117 ( 3337 PWs) bands (ev): -47.5062 -47.5062 -22.5508 -22.5507 -19.5587 -19.5568 -19.3907 -19.3893 -19.3657 -19.3625 -17.7449 -17.7449 -7.6181 -7.6180 -4.6700 -4.6699 -4.3565 -4.3461 -4.0883 -4.0770 -0.0652 -0.0646 0.8291 0.8299 1.6720 1.6729 5.0561 5.0572 8.3077 8.3091 12.8324 12.8329 14.3718 14.3719 k =-0.0615 0.0530 0.1228 ( 3343 PWs) bands (ev): -47.5062 -47.5062 -22.5497 -22.5496 -19.5587 -19.5567 -19.3906 -19.3891 -19.3661 -19.3626 -17.7458 -17.7458 -7.6175 -7.6175 -4.6670 -4.6670 -4.3716 -4.3610 -4.0869 -4.0754 -0.0742 -0.0736 0.8325 0.8333 1.6800 1.6810 5.0420 5.0432 8.3427 8.3442 12.8296 12.8302 14.4084 14.4086 k =-0.0671 0.0578 0.1340 ( 3331 PWs) bands (ev): -47.5062 -47.5062 -22.5485 -22.5484 -19.5586 -19.5564 -19.3904 -19.3888 -19.3664 -19.3627 -17.7467 -17.7467 -7.6169 -7.6169 -4.6638 -4.6638 -4.3876 -4.3769 -4.0854 -4.0736 -0.0837 -0.0831 0.8361 0.8370 1.6886 1.6896 5.0273 5.0285 8.3806 8.3823 12.8263 12.8269 14.4463 14.4465 k =-0.0727 0.0627 0.1452 ( 3327 PWs) bands (ev): -47.5061 -47.5061 -22.5472 -22.5471 -19.5586 -19.5562 -19.3902 -19.3886 -19.3668 -19.3628 -17.7477 -17.7477 -7.6163 -7.6163 -4.6604 -4.6603 -4.4046 -4.3938 -4.0837 -4.0719 -0.0938 -0.0931 0.8400 0.8410 1.6976 1.6988 5.0117 5.0130 8.4214 8.4231 12.8224 12.8231 14.4841 14.4844 k =-0.0783 0.0675 0.1563 ( 3323 PWs) bands (ev): -47.5061 -47.5061 -22.5458 -22.5457 -19.5586 -19.5560 -19.3900 -19.3883 -19.3672 -19.3629 -17.7487 -17.7487 -7.6158 -7.6157 -4.6567 -4.6567 -4.4223 -4.4116 -4.0819 -4.0701 -0.1045 -0.1038 0.8442 0.8453 1.7072 1.7083 4.9955 4.9969 8.4650 8.4668 12.8178 12.8186 14.5200 14.5202 k =-0.0839 0.0723 0.1675 ( 3327 PWs) bands (ev): -47.5060 -47.5060 -22.5444 -22.5443 -19.5587 -19.5559 -19.3899 -19.3881 -19.3676 -19.3631 -17.7499 -17.7499 -7.6152 -7.6151 -4.6528 -4.6528 -4.4408 -4.4301 -4.0801 -4.0683 -0.1156 -0.1148 0.8487 0.8498 1.7170 1.7183 4.9787 4.9801 8.5112 8.5130 12.8126 12.8133 14.5507 14.5511 k =-0.0895 0.0771 0.1787 ( 3331 PWs) bands (ev): -47.5060 -47.5060 -22.5429 -22.5428 -19.5587 -19.5557 -19.3897 -19.3879 -19.3680 -19.3633 -17.7511 -17.7510 -7.6147 -7.6146 -4.6487 -4.6487 -4.4598 -4.4494 -4.0783 -4.0665 -0.1271 -0.1262 0.8535 0.8547 1.7273 1.7285 4.9615 4.9630 8.5599 8.5618 12.8065 12.8074 14.5718 14.5722 k =-0.0951 0.0820 0.1898 ( 3329 PWs) bands (ev): -47.5059 -47.5059 -22.5413 -22.5412 -19.5587 -19.5555 -19.3895 -19.3877 -19.3683 -19.3634 -17.7523 -17.7523 -7.6142 -7.6142 -4.6445 -4.6444 -4.4794 -4.4691 -4.0763 -4.0647 -0.1389 -0.1380 0.8586 0.8598 1.7378 1.7391 4.9440 4.9455 8.6111 8.6130 12.7996 12.8005 14.5770 14.5776 k =-0.1007 0.0868 0.2010 ( 3329 PWs) bands (ev): -47.5059 -47.5059 -22.5396 -22.5395 -19.5587 -19.5554 -19.3894 -19.3876 -19.3686 -19.3636 -17.7536 -17.7536 -7.6138 -7.6138 -4.6400 -4.6399 -4.4995 -4.4894 -4.0744 -4.0629 -0.1509 -0.1499 0.8639 0.8652 1.7486 1.7499 4.9263 4.9279 8.6646 8.6665 12.7919 12.7928 14.5611 14.5617 k =-0.1063 0.0916 0.2122 ( 3329 PWs) bands (ev): -47.5058 -47.5058 -22.5379 -22.5378 -19.5588 -19.5552 -19.3892 -19.3875 -19.3689 -19.3637 -17.7550 -17.7550 -7.6135 -7.6135 -4.6353 -4.6353 -4.5198 -4.5100 -4.0724 -4.0611 -0.1630 -0.1620 0.8695 0.8708 1.7596 1.7609 4.9085 4.9101 8.7203 8.7223 12.7831 12.7841 14.5223 14.5231 k =-0.1119 0.0964 0.2233 ( 3333 PWs) bands (ev): -47.5058 -47.5058 -22.5362 -22.5360 -19.5588 -19.5551 -19.3891 -19.3874 -19.3692 -19.3639 -17.7564 -17.7564 -7.6133 -7.6133 -4.6305 -4.6305 -4.5404 -4.5308 -4.0705 -4.0594 -0.1752 -0.1742 0.8753 0.8767 1.7707 1.7720 4.8908 4.8924 8.7781 8.7801 12.7733 12.7744 14.4644 14.4653 k =-0.1175 0.1012 0.2345 ( 3337 PWs) bands (ev): -47.5057 -47.5057 -22.5344 -22.5342 -19.5589 -19.5550 -19.3890 -19.3874 -19.3694 -19.3641 -17.7578 -17.7578 -7.6132 -7.6132 -4.6256 -4.6255 -4.5611 -4.5518 -4.0686 -4.0577 -0.1875 -0.1864 0.8814 0.8828 1.7819 1.7832 4.8732 4.8748 8.8379 8.8399 12.7625 12.7636 14.3929 14.3940 k =-0.1231 0.1061 0.2457 ( 3339 PWs) bands (ev): -47.5057 -47.5057 -22.5325 -22.5324 -19.5590 -19.5550 -19.3888 -19.3874 -19.3697 -19.3642 -17.7593 -17.7593 -7.6132 -7.6132 -4.6206 -4.6204 -4.5818 -4.5728 -4.0667 -4.0560 -0.1997 -0.1986 0.8878 0.8892 1.7930 1.7944 4.8558 4.8575 8.8996 8.9015 12.7505 12.7517 14.3129 14.3141 k =-0.1286 0.1109 0.2569 ( 3337 PWs) bands (ev): -47.5056 -47.5056 -22.5307 -22.5305 -19.5591 -19.5549 -19.3887 -19.3874 -19.3698 -19.3643 -17.7608 -17.7608 -7.6134 -7.6134 -4.6157 -4.6151 -4.6021 -4.5937 -4.0649 -4.0544 -0.2117 -0.2106 0.8944 0.8959 1.8043 1.8056 4.8388 4.8405 8.9630 8.9649 12.7373 12.7387 14.2277 14.2292 k =-0.1342 0.1157 0.2680 ( 3341 PWs) bands (ev): -47.5056 -47.5056 -22.5288 -22.5286 -19.5592 -19.5548 -19.3887 -19.3875 -19.3700 -19.3645 -17.7624 -17.7623 -7.6137 -7.6137 -4.6239 -4.6145 -4.6098 -4.6091 -4.0632 -4.0529 -0.2236 -0.2224 0.9012 0.9027 1.8154 1.8167 4.8222 4.8240 9.0281 9.0299 12.7230 12.7244 14.1397 14.1414 k =-0.1398 0.1205 0.2792 ( 3339 PWs) bands (ev): -47.5055 -47.5055 -22.5268 -22.5267 -19.5593 -19.5548 -19.3886 -19.3876 -19.3701 -19.3646 -17.7639 -17.7639 -7.6142 -7.6142 -4.6438 -4.6350 -4.6043 -4.6041 -4.0615 -4.0514 -0.2352 -0.2339 0.9082 0.9098 1.8265 1.8278 4.8062 4.8080 9.0946 9.0965 12.7074 12.7089 14.0504 14.0523 k =-0.1454 0.1253 0.2904 ( 3347 PWs) bands (ev): -47.5055 -47.5055 -22.5249 -22.5247 -19.5595 -19.5548 -19.3886 -19.3878 -19.3701 -19.3647 -17.7655 -17.7655 -7.6149 -7.6149 -4.6637 -4.6552 -4.5988 -4.5986 -4.0599 -4.0500 -0.2464 -0.2451 0.9154 0.9171 1.8374 1.8387 4.7909 4.7926 9.1626 9.1644 12.6906 12.6922 13.9607 13.9628 k =-0.1510 0.1302 0.3015 ( 3343 PWs) bands (ev): -47.5054 -47.5054 -22.5230 -22.5228 -19.5596 -19.5548 -19.3886 -19.3879 -19.3702 -19.3648 -17.7671 -17.7671 -7.6158 -7.6158 -4.6831 -4.6749 -4.5932 -4.5930 -4.0585 -4.0488 -0.2573 -0.2559 0.9229 0.9245 1.8482 1.8494 4.7763 4.7781 9.2318 9.2335 12.6725 12.6742 13.8712 13.8735 k =-0.1566 0.1350 0.3127 ( 3347 PWs) bands (ev): -47.5054 -47.5054 -22.5210 -22.5208 -19.5598 -19.5548 -19.3886 -19.3882 -19.3702 -19.3649 -17.7687 -17.7687 -7.6169 -7.6169 -4.7021 -4.6941 -4.5875 -4.5873 -4.0571 -4.0477 -0.2676 -0.2663 0.9305 0.9322 1.8587 1.8599 4.7625 4.7643 9.3022 9.3038 12.6532 12.6550 13.7824 13.7849 k =-0.1622 0.1398 0.3239 ( 3343 PWs) bands (ev): -47.5053 -47.5053 -22.5191 -22.5189 -19.5600 -19.5548 -19.3887 -19.3884 -19.3702 -19.3650 -17.7704 -17.7704 -7.6183 -7.6182 -4.7204 -4.7127 -4.5818 -4.5816 -4.0559 -4.0467 -0.2775 -0.2760 0.9383 0.9400 1.8691 1.8702 4.7496 4.7514 9.3736 9.3752 12.6326 12.6345 13.6946 13.6973 k =-0.1678 0.1446 0.3350 ( 3343 PWs) bands (ev): -47.5053 -47.5053 -22.5171 -22.5169 -19.5602 -19.5549 -19.3887 -19.3887 -19.3703 -19.3651 -17.7720 -17.7720 -7.6198 -7.6198 -4.7381 -4.7306 -4.5760 -4.5759 -4.0549 -4.0458 -0.2867 -0.2852 0.9462 0.9480 1.8791 1.8802 4.7377 4.7395 9.4459 9.4474 12.6109 12.6128 13.6081 13.6110 k =-0.1734 0.1494 0.3462 ( 3343 PWs) bands (ev): -47.5052 -47.5052 -22.5152 -22.5150 -19.5604 -19.5550 -19.3890 -19.3888 -19.3703 -19.3652 -17.7736 -17.7736 -7.6217 -7.6216 -4.7551 -4.7478 -4.5702 -4.5701 -4.0540 -4.0451 -0.2953 -0.2938 0.9543 0.9562 1.8889 1.8899 4.7268 4.7286 9.5189 9.5203 12.5879 12.5900 13.5230 13.5261 k =-0.1790 0.1543 0.3574 ( 3345 PWs) bands (ev): -47.5052 -47.5052 -22.5133 -22.5131 -19.5606 -19.5551 -19.3893 -19.3890 -19.3703 -19.3653 -17.7753 -17.7752 -7.6238 -7.6237 -4.7712 -4.7641 -4.5645 -4.5643 -4.0533 -4.0446 -0.3032 -0.3017 0.9626 0.9645 1.8984 1.8994 4.7170 4.7188 9.5925 9.5939 12.5638 12.5660 13.4394 13.4427 k =-0.1846 0.1591 0.3685 ( 3345 PWs) bands (ev): -47.5051 -47.5051 -22.5114 -22.5112 -19.5608 -19.5552 -19.3896 -19.3891 -19.3703 -19.3654 -17.7769 -17.7769 -7.6262 -7.6260 -4.7864 -4.7795 -4.5587 -4.5585 -4.0527 -4.0442 -0.3104 -0.3088 0.9710 0.9729 1.9075 1.9084 4.7084 4.7102 9.6667 9.6679 12.5387 12.5409 13.3574 13.3608 k =-0.1902 0.1639 0.3797 ( 3349 PWs) bands (ev): -47.5051 -47.5051 -22.5095 -22.5093 -19.5611 -19.5554 -19.3900 -19.3893 -19.3703 -19.3655 -17.7785 -17.7785 -7.6288 -7.6287 -4.8007 -4.7940 -4.5529 -4.5527 -4.0524 -4.0441 -0.3168 -0.3151 0.9795 0.9815 1.9163 1.9171 4.7010 4.7028 9.7411 9.7422 12.5125 12.5148 13.2771 13.2806 k =-0.1958 0.1687 0.3909 ( 3347 PWs) bands (ev): -47.5051 -47.5051 -22.5077 -22.5075 -19.5613 -19.5555 -19.3903 -19.3895 -19.3704 -19.3656 -17.7801 -17.7800 -7.6318 -7.6316 -4.8140 -4.8075 -4.5472 -4.5470 -4.0522 -4.0441 -0.3223 -0.3206 0.9881 0.9901 1.9247 1.9255 4.6949 4.6968 9.8158 9.8168 12.4854 12.4878 13.1984 13.2022 k =-0.2014 0.1735 0.4020 ( 3341 PWs) bands (ev): -47.5050 -47.5050 -22.5059 -22.5057 -19.5616 -19.5557 -19.3907 -19.3898 -19.3704 -19.3656 -17.7816 -17.7816 -7.6350 -7.6348 -4.8263 -4.8199 -4.5415 -4.5413 -4.0523 -4.0444 -0.3269 -0.3251 0.9969 0.9989 1.9328 1.9335 4.6902 4.6920 9.8904 9.8913 12.4574 12.4599 13.1215 13.1254 k =-0.2070 0.1784 0.4132 ( 3341 PWs) bands (ev): -47.5050 -47.5050 -22.5042 -22.5040 -19.5618 -19.5559 -19.3910 -19.3900 -19.3705 -19.3658 -17.7831 -17.7831 -7.6385 -7.6383 -4.8374 -4.8312 -4.5359 -4.5356 -4.0526 -4.0448 -0.3306 -0.3288 1.0057 1.0077 1.9405 1.9411 4.6867 4.6886 9.9649 9.9656 12.4286 12.4311 13.0464 13.0504 k =-0.2125 0.1832 0.4244 ( 3337 PWs) bands (ev): -47.5049 -47.5049 -22.5025 -22.5023 -19.5621 -19.5561 -19.3914 -19.3903 -19.3706 -19.3659 -17.7847 -17.7846 -7.6424 -7.6422 -4.8474 -4.8413 -4.5303 -4.5300 -4.0531 -4.0455 -0.3334 -0.3316 1.0145 1.0166 1.9478 1.9483 4.6847 4.6866 10.0390 10.0396 12.3990 12.4016 12.9731 12.9772 k =-0.2181 0.1880 0.4355 ( 3337 PWs) bands (ev): -47.5049 -47.5049 -22.5009 -22.5006 -19.5624 -19.5563 -19.3918 -19.3907 -19.3707 -19.3660 -17.7861 -17.7861 -7.6465 -7.6463 -4.8561 -4.8503 -4.5248 -4.5245 -4.0539 -4.0464 -0.3352 -0.3333 1.0235 1.0256 1.9546 1.9551 4.6841 4.6859 10.1127 10.1131 12.3687 12.3714 12.9016 12.9059 k =-0.2237 0.1928 0.4467 ( 3335 PWs) bands (ev): -47.5049 -47.5049 -22.4993 -22.4990 -19.5627 -19.5566 -19.3921 -19.3910 -19.3709 -19.3662 -17.7876 -17.7875 -7.6510 -7.6507 -4.8637 -4.8580 -4.5194 -4.5191 -4.0548 -4.0476 -0.3361 -0.3341 1.0324 1.0346 1.9611 1.9615 4.6849 4.6868 10.1855 10.1858 12.3377 12.3404 12.8320 12.8364 k =-0.2293 0.1977 0.4579 ( 3337 PWs) bands (ev): -47.5049 -47.5049 -22.4978 -22.4975 -19.5630 -19.5569 -19.3925 -19.3914 -19.3711 -19.3663 -17.7890 -17.7889 -7.6558 -7.6555 -4.8700 -4.8645 -4.5141 -4.5138 -4.0561 -4.0490 -0.3359 -0.3339 1.0415 1.0437 1.9671 1.9674 4.6872 4.6890 10.2574 10.2575 12.3061 12.3088 12.7644 12.7690 k =-0.2349 0.2025 0.4690 ( 3339 PWs) bands (ev): -47.5049 -47.5049 -22.4963 -22.4960 -19.5633 -19.5572 -19.3929 -19.3919 -19.3713 -19.3665 -17.7903 -17.7903 -7.6609 -7.6605 -4.8751 -4.8697 -4.5088 -4.5085 -4.0575 -4.0506 -0.3347 -0.3326 1.0505 1.0527 1.9727 1.9730 4.6909 4.6927 10.3280 10.3281 12.2737 12.2765 12.6990 12.7036 k =-0.2405 0.2073 0.4802 ( 3339 PWs) bands (ev): -47.5048 -47.5048 -22.4949 -22.4946 -19.5636 -19.5575 -19.3933 -19.3923 -19.3716 -19.3667 -17.7916 -17.7916 -7.6663 -7.6659 -4.8788 -4.8736 -4.5037 -4.5034 -4.0592 -4.0524 -0.3324 -0.3303 1.0595 1.0618 1.9780 1.9781 4.6961 4.6979 10.3970 10.3973 12.2407 12.2433 12.6357 12.6404 k =-0.2461 0.2121 0.4914 ( 3335 PWs) bands (ev): -47.5048 -47.5048 -22.4936 -22.4933 -19.5640 -19.5578 -19.3937 -19.3928 -19.3719 -19.3669 -17.7929 -17.7929 -7.6719 -7.6716 -4.8813 -4.8761 -4.4987 -4.4983 -4.0612 -4.0545 -0.3291 -0.3270 1.0686 1.0709 1.9828 1.9828 4.7027 4.7046 10.4643 10.4647 12.2067 12.2093 12.5749 12.5796 k =-0.2517 0.2169 0.5025 ( 3335 PWs) bands (ev): -47.5048 -47.5048 -22.4923 -22.4920 -19.5643 -19.5582 -19.3941 -19.3933 -19.3722 -19.3671 -17.7941 -17.7941 -7.6779 -7.6775 -4.8824 -4.8774 -4.4938 -4.4934 -4.0634 -4.0569 -0.3248 -0.3226 1.0776 1.0799 1.9871 1.9872 4.7108 4.7127 10.5295 10.5301 12.1718 12.1742 12.5168 12.5214 k =-0.2573 0.2218 0.5137 ( 3335 PWs) bands (ev): -47.5048 -47.5048 -22.4911 -22.4909 -19.5646 -19.5586 -19.3945 -19.3939 -19.3725 -19.3674 -17.7953 -17.7953 -7.6842 -7.6838 -4.8822 -4.8773 -4.4890 -4.4887 -4.0658 -4.0595 -0.3194 -0.3172 1.0865 1.0889 1.9911 1.9912 4.7204 4.7223 10.5922 10.5931 12.1356 12.1379 12.4615 12.4661 k =-0.2629 0.2266 0.5249 ( 3331 PWs) bands (ev): -47.5048 -47.5048 -22.4900 -22.4897 -19.5650 -19.5589 -19.3949 -19.3944 -19.3729 -19.3676 -17.7964 -17.7964 -7.6907 -7.6903 -4.8808 -4.8760 -4.4844 -4.4840 -4.0685 -4.0623 -0.3129 -0.3107 1.0955 1.0979 1.9946 1.9948 4.7314 4.7332 10.6523 10.6534 12.0981 12.1001 12.4095 12.4140 k =-0.2685 0.2314 0.5360 ( 3333 PWs) bands (ev): -47.5048 -47.5048 -22.4890 -22.4887 -19.5654 -19.5594 -19.3953 -19.3950 -19.3733 -19.3678 -17.7975 -17.7974 -7.6976 -7.6971 -4.8780 -4.8733 -4.4799 -4.4795 -4.0714 -4.0654 -0.3055 -0.3032 1.1043 1.1068 1.9977 1.9980 4.7438 4.7456 10.7092 10.7106 12.0589 12.0606 12.3609 12.3651 k =-0.2741 0.2362 0.5472 ( 3337 PWs) bands (ev): -47.5048 -47.5048 -22.4880 -22.4877 -19.5658 -19.5598 -19.3958 -19.3957 -19.3736 -19.3681 -17.7985 -17.7985 -7.7046 -7.7041 -4.8739 -4.8694 -4.4756 -4.4751 -4.0746 -4.0686 -0.2970 -0.2947 1.1131 1.1156 2.0005 2.0008 4.7575 4.7593 10.7627 10.7643 12.0180 12.0193 12.3158 12.3198 k =-0.2797 0.2410 0.5584 ( 3345 PWs) bands (ev): -47.5048 -47.5048 -22.4871 -22.4868 -19.5662 -19.5603 -19.3964 -19.3963 -19.3741 -19.3683 -17.7994 -17.7994 -7.7119 -7.7114 -4.8686 -4.8642 -4.4714 -4.4709 -4.0780 -4.0722 -0.2876 -0.2852 1.1218 1.1243 2.0029 2.0033 4.7726 4.7744 10.8123 10.8141 11.9753 11.9761 12.2743 12.2780 k =-0.2853 0.2459 0.5695 ( 3347 PWs) bands (ev): -47.5048 -47.5048 -22.4863 -22.4860 -19.5666 -19.5608 -19.3971 -19.3968 -19.3744 -19.3686 -17.8003 -17.8003 -7.7194 -7.7189 -4.8620 -4.8577 -4.4673 -4.4668 -4.0816 -4.0759 -0.2772 -0.2748 1.1305 1.1329 2.0049 2.0054 4.7889 4.7907 10.8576 10.8598 11.9308 11.9312 12.2363 12.2397 k =-0.2909 0.2507 0.5807 ( 3347 PWs) bands (ev): -47.5049 -47.5049 -22.4856 -22.4853 -19.5670 -19.5613 -19.3979 -19.3972 -19.3748 -19.3688 -17.8012 -17.8011 -7.7272 -7.7266 -4.8542 -4.8500 -4.4633 -4.4629 -4.0854 -4.0798 -0.2658 -0.2634 1.1390 1.1415 2.0067 2.0072 4.8066 4.8083 10.8984 10.9008 11.8848 11.8848 12.2015 12.2046 k =-0.2964 0.2555 0.5919 ( 3351 PWs) bands (ev): -47.5049 -47.5049 -22.4849 -22.4846 -19.5675 -19.5619 -19.3987 -19.3978 -19.3751 -19.3690 -17.8019 -17.8019 -7.7351 -7.7345 -4.8452 -4.8411 -4.4596 -4.4591 -4.0894 -4.0839 -0.2536 -0.2511 1.1474 1.1499 2.0080 2.0086 4.8254 4.8271 10.9342 10.9368 11.8370 11.8375 12.1696 12.1723 k =-0.3020 0.2603 0.6030 ( 3351 PWs) bands (ev): -47.5049 -47.5049 -22.4843 -22.4840 -19.5679 -19.5624 -19.3994 -19.3984 -19.3754 -19.3692 -17.8027 -17.8027 -7.7432 -7.7426 -4.8351 -4.8311 -4.4559 -4.4554 -4.0936 -4.0882 -0.2405 -0.2380 1.1556 1.1582 2.0091 2.0098 4.8454 4.8471 10.9648 10.9676 11.7883 11.7892 12.1401 12.1425 k =-0.3076 0.2651 0.6142 ( 3347 PWs) bands (ev): -47.5049 -47.5049 -22.4838 -22.4835 -19.5683 -19.5630 -19.4002 -19.3989 -19.3757 -19.3693 -17.8034 -17.8034 -7.7514 -7.7508 -4.8239 -4.8199 -4.4524 -4.4519 -4.0979 -4.0927 -0.2265 -0.2240 1.1638 1.1663 2.0099 2.0106 4.8664 4.8681 10.9899 10.9930 11.7388 11.7400 12.1126 12.1147 k =-0.3132 0.2700 0.6254 ( 3343 PWs) bands (ev): -47.5049 -47.5049 -22.4833 -22.4831 -19.5688 -19.5636 -19.4010 -19.3995 -19.3759 -19.3695 -17.8040 -17.8040 -7.7598 -7.7591 -4.8116 -4.8077 -4.4490 -4.4485 -4.1024 -4.0973 -0.2118 -0.2093 1.1717 1.1743 2.0104 2.0111 4.8885 4.8902 11.0094 11.0127 11.6887 11.6902 12.0866 12.0886 k =-0.3188 0.2748 0.6365 ( 3347 PWs) bands (ev): -47.5050 -47.5050 -22.4830 -22.4827 -19.5693 -19.5642 -19.4019 -19.4002 -19.3761 -19.3696 -17.8046 -17.8045 -7.7682 -7.7676 -4.7983 -4.7945 -4.4458 -4.4453 -4.1070 -4.1021 -0.1964 -0.1939 1.1795 1.1821 2.0106 2.0114 4.9116 4.9132 11.0233 11.0267 11.6381 11.6399 12.0619 12.0636 k =-0.3244 0.2796 0.6477 ( 3351 PWs) bands (ev): -47.5050 -47.5050 -22.4826 -22.4824 -19.5699 -19.5649 -19.4028 -19.4009 -19.3763 -19.3698 -17.8051 -17.8051 -7.7768 -7.7761 -4.7841 -4.7804 -4.4427 -4.4422 -4.1118 -4.1070 -0.1803 -0.1778 1.1871 1.1897 2.0106 2.0114 4.9355 4.9371 11.0315 11.0350 11.5871 11.5891 12.0381 12.0396 k =-0.3300 0.2844 0.6589 ( 3347 PWs) bands (ev): -47.5050 -47.5050 -22.4824 -22.4821 -19.5704 -19.5656 -19.4036 -19.4016 -19.3764 -19.3698 -17.8056 -17.8055 -7.7854 -7.7847 -4.7690 -4.7654 -4.4398 -4.4393 -4.1167 -4.1120 -0.1636 -0.1610 1.1946 1.1972 2.0104 2.0112 4.9603 4.9619 11.0342 11.0378 11.5357 11.5378 12.0149 12.0162 k =-0.3356 0.2892 0.6700 ( 3343 PWs) bands (ev): -47.5051 -47.5051 -22.4822 -22.4819 -19.5709 -19.5662 -19.4045 -19.4023 -19.3765 -19.3699 -17.8060 -17.8060 -7.7940 -7.7933 -4.7531 -4.7495 -4.4370 -4.4365 -4.1217 -4.1171 -0.1463 -0.1437 1.2019 1.2044 2.0099 2.0107 4.9858 4.9873 11.0317 11.0353 11.4838 11.4860 11.9922 11.9933 k =-0.3412 0.2941 0.6812 ( 3339 PWs) bands (ev): -47.5051 -47.5051 -22.4820 -22.4818 -19.5715 -19.5670 -19.4054 -19.4030 -19.3765 -19.3699 -17.8063 -17.8063 -7.8026 -7.8020 -4.7365 -4.7330 -4.4343 -4.4338 -4.1268 -4.1222 -0.1285 -0.1259 1.2089 1.2115 2.0092 2.0101 5.0119 5.0134 11.0243 11.0278 11.4313 11.4334 11.9699 11.9709 k =-0.3468 0.2989 0.6924 ( 3339 PWs) bands (ev): -47.5051 -47.5051 -22.4819 -22.4817 -19.5721 -19.5677 -19.4063 -19.4038 -19.3765 -19.3700 -17.8067 -17.8067 -7.8113 -7.8106 -4.7192 -4.7158 -4.4318 -4.4313 -4.1319 -4.1275 -0.1103 -0.1077 1.2158 1.2183 2.0083 2.0092 5.0385 5.0400 11.0124 11.0158 11.3780 11.3801 11.9480 11.9488 k =-0.3524 0.3037 0.7036 ( 3339 PWs) bands (ev): -47.5052 -47.5052 -22.4819 -22.4817 -19.5727 -19.5685 -19.4071 -19.4045 -19.3764 -19.3700 -17.8070 -17.8070 -7.8199 -7.8192 -4.7014 -4.6980 -4.4293 -4.4289 -4.1371 -4.1328 -0.0917 -0.0891 1.2224 1.2250 2.0073 2.0082 5.0657 5.0672 10.9964 10.9997 11.3238 11.3258 11.9264 11.9271 k =-0.3524 0.3037 0.7036 ( 3339 PWs) bands (ev): -47.5052 -47.5052 -22.4819 -22.4817 -19.5727 -19.5685 -19.4071 -19.4045 -19.3764 -19.3700 -17.8070 -17.8070 -7.8199 -7.8192 -4.7014 -4.6980 -4.4293 -4.4289 -4.1371 -4.1328 -0.0917 -0.0891 1.2224 1.2250 2.0073 2.0082 5.0657 5.0672 10.9964 10.9997 11.3238 11.3258 11.9264 11.9271 k =-0.3445 0.2969 0.7105 ( 3338 PWs) bands (ev): -47.5052 -47.5052 -22.4819 -22.4817 -19.5727 -19.5685 -19.4071 -19.4045 -19.3764 -19.3700 -17.8070 -17.8069 -7.8194 -7.8188 -4.7013 -4.6980 -4.4299 -4.4293 -4.1368 -4.1324 -0.0922 -0.0896 1.2209 1.2236 2.0078 2.0090 5.0658 5.0673 10.9940 10.9973 11.3249 11.3268 11.9271 11.9277 k =-0.3366 0.2901 0.7174 ( 3338 PWs) bands (ev): -47.5052 -47.5052 -22.4820 -22.4817 -19.5727 -19.5685 -19.4072 -19.4045 -19.3764 -19.3700 -17.8070 -17.8069 -7.8180 -7.8174 -4.7012 -4.6978 -4.4315 -4.4308 -4.1358 -4.1315 -0.0937 -0.0911 1.2165 1.2194 2.0094 2.0111 5.0663 5.0677 10.9869 10.9901 11.3281 11.3301 11.9290 11.9297 k =-0.3366 0.2901 0.7174 ( 3338 PWs) bands (ev): -47.5052 -47.5052 -22.4820 -22.4817 -19.5727 -19.5685 -19.4072 -19.4045 -19.3764 -19.3700 -17.8070 -17.8069 -7.8180 -7.8174 -4.7012 -4.6978 -4.4315 -4.4308 -4.1358 -4.1315 -0.0937 -0.0911 1.2165 1.2194 2.0094 2.0111 5.0663 5.0677 10.9869 10.9901 11.3281 11.3301 11.9290 11.9297 k =-0.3264 0.2813 0.7174 ( 3336 PWs) bands (ev): -47.5051 -47.5051 -22.4820 -22.4818 -19.5724 -19.5681 -19.4068 -19.4042 -19.3764 -19.3699 -17.8067 -17.8066 -7.8112 -7.8106 -4.7110 -4.7077 -4.4349 -4.4341 -4.1316 -4.1272 -0.1064 -0.1037 1.2068 1.2099 2.0123 2.0146 5.0519 5.0534 10.9867 10.9899 11.3637 11.3657 11.9437 11.9446 k =-0.3162 0.2725 0.7174 ( 3338 PWs) bands (ev): -47.5051 -47.5051 -22.4821 -22.4818 -19.5722 -19.5678 -19.4064 -19.4038 -19.3764 -19.3699 -17.8064 -17.8063 -7.8038 -7.8031 -4.7206 -4.7173 -4.4391 -4.4381 -4.1270 -4.1225 -0.1197 -0.1170 1.1951 1.1986 2.0159 2.0187 5.0380 5.0395 10.9833 10.9864 11.4014 11.4035 11.9595 11.9606 k =-0.3060 0.2637 0.7174 ( 3336 PWs) bands (ev): -47.5051 -47.5051 -22.4821 -22.4819 -19.5719 -19.5675 -19.4061 -19.4035 -19.3764 -19.3698 -17.8060 -17.8059 -7.7956 -7.7950 -4.7301 -4.7268 -4.4438 -4.4426 -4.1221 -4.1175 -0.1338 -0.1311 1.1818 1.1855 2.0202 2.0234 5.0247 5.0261 10.9774 10.9804 11.4411 11.4432 11.9764 11.9777 k =-0.2958 0.2549 0.7174 ( 3336 PWs) bands (ev): -47.5051 -47.5051 -22.4822 -22.4820 -19.5718 -19.5673 -19.4058 -19.4033 -19.3764 -19.3698 -17.8056 -17.8054 -7.7868 -7.7862 -4.7394 -4.7361 -4.4490 -4.4477 -4.1169 -4.1123 -0.1485 -0.1457 1.1670 1.1710 2.0249 2.0286 5.0118 5.0133 10.9696 10.9725 11.4825 11.4846 11.9943 11.9958 k =-0.2856 0.2461 0.7174 ( 3335 PWs) bands (ev): -47.5051 -47.5051 -22.4823 -22.4821 -19.5716 -19.5671 -19.4057 -19.4032 -19.3763 -19.3697 -17.8049 -17.8047 -7.7775 -7.7769 -4.7485 -4.7453 -4.4545 -4.4531 -4.1114 -4.1068 -0.1638 -0.1610 1.1510 1.1552 2.0301 2.0340 4.9996 5.0011 10.9605 10.9633 11.5254 11.5275 12.0131 12.0147 k =-0.2754 0.2373 0.7174 ( 3337 PWs) bands (ev): -47.5050 -47.5050 -22.4824 -22.4821 -19.5716 -19.5671 -19.4056 -19.4031 -19.3762 -19.3696 -17.8042 -17.8040 -7.7676 -7.7670 -4.7576 -4.7545 -4.4604 -4.4589 -4.1058 -4.1012 -0.1798 -0.1769 1.1339 1.1384 2.0355 2.0397 4.9879 4.9894 10.9507 10.9533 11.5693 11.5714 12.0327 12.0345 k =-0.2652 0.2285 0.7174 ( 3337 PWs) bands (ev): -47.5050 -47.5050 -22.4825 -22.4822 -19.5716 -19.5671 -19.4056 -19.4032 -19.3761 -19.3696 -17.8033 -17.8031 -7.7572 -7.7566 -4.7666 -4.7636 -4.4664 -4.4648 -4.1001 -4.0954 -0.1961 -0.1932 1.1159 1.1206 2.0410 2.0454 4.9769 4.9784 10.9404 10.9429 11.6139 11.6161 12.0531 12.0550 k =-0.2550 0.2197 0.7174 ( 3332 PWs) bands (ev): -47.5050 -47.5050 -22.4825 -22.4823 -19.5716 -19.5672 -19.4057 -19.4033 -19.3759 -19.3695 -17.8023 -17.8021 -7.7464 -7.7458 -4.7757 -4.7726 -4.4725 -4.4708 -4.0944 -4.0896 -0.2129 -0.2100 1.0973 1.1021 2.0467 2.0513 4.9666 4.9680 10.9301 10.9325 11.6589 11.6611 12.0741 12.0762 k =-0.2448 0.2110 0.7174 ( 3330 PWs) bands (ev): -47.5050 -47.5050 -22.4826 -22.4823 -19.5717 -19.5674 -19.4059 -19.4035 -19.3758 -19.3694 -17.8012 -17.8009 -7.7352 -7.7347 -4.7847 -4.7818 -4.4786 -4.4768 -4.0886 -4.0839 -0.2300 -0.2270 1.0781 1.0830 2.0524 2.0571 4.9569 4.9583 10.9199 10.9221 11.7038 11.7062 12.0956 12.0978 k =-0.2346 0.2022 0.7174 ( 3333 PWs) bands (ev): -47.5050 -47.5050 -22.4826 -22.4823 -19.5718 -19.5677 -19.4062 -19.4038 -19.3756 -19.3694 -17.7999 -17.7996 -7.7237 -7.7232 -4.7938 -4.7910 -4.4846 -4.4827 -4.0828 -4.0781 -0.2474 -0.2444 1.0585 1.0634 2.0581 2.0628 4.9479 4.9493 10.9099 10.9120 11.7484 11.7509 12.1175 12.1198 k =-0.2244 0.1934 0.7174 ( 3335 PWs) bands (ev): -47.5050 -47.5050 -22.4826 -22.4824 -19.5721 -19.5681 -19.4066 -19.4043 -19.3754 -19.3694 -17.7984 -17.7982 -7.7120 -7.7115 -4.8030 -4.8003 -4.4903 -4.4883 -4.0772 -4.0725 -0.2648 -0.2618 1.0386 1.0436 2.0637 2.0684 4.9395 4.9409 10.9002 10.9023 11.7924 11.7950 12.1398 12.1420 k =-0.2142 0.1846 0.7174 ( 3335 PWs) bands (ev): -47.5049 -47.5049 -22.4826 -22.4824 -19.5724 -19.5686 -19.4070 -19.4047 -19.3752 -19.3693 -17.7969 -17.7966 -7.7001 -7.6996 -4.8123 -4.8097 -4.4956 -4.4936 -4.0717 -4.0670 -0.2823 -0.2793 1.0186 1.0235 2.0692 2.0739 4.9318 4.9332 10.8911 10.8930 11.8354 11.8382 12.1623 12.1646 k =-0.2040 0.1758 0.7174 ( 3327 PWs) bands (ev): -47.5049 -47.5049 -22.4826 -22.4823 -19.5727 -19.5690 -19.4075 -19.4053 -19.3750 -19.3693 -17.7952 -17.7949 -7.6880 -7.6875 -4.8217 -4.8192 -4.5006 -4.4985 -4.0663 -4.0617 -0.2997 -0.2967 0.9985 1.0035 2.0745 2.0792 4.9248 4.9261 10.8824 10.8842 11.8771 11.8801 12.1851 12.1873 k =-0.1938 0.1670 0.7174 ( 3324 PWs) bands (ev): -47.5049 -47.5049 -22.4825 -22.4823 -19.5731 -19.5696 -19.4081 -19.4059 -19.3748 -19.3693 -17.7934 -17.7931 -7.6759 -7.6754 -4.8313 -4.8289 -4.5050 -4.5029 -4.0611 -4.0566 -0.3169 -0.3139 0.9786 0.9834 2.0797 2.0843 4.9184 4.9197 10.8742 10.8759 11.9172 11.9204 12.2081 12.2102 k =-0.1836 0.1582 0.7174 ( 3327 PWs) bands (ev): -47.5049 -47.5049 -22.4824 -22.4822 -19.5736 -19.5703 -19.4087 -19.4066 -19.3746 -19.3694 -17.7916 -17.7913 -7.6638 -7.6633 -4.8410 -4.8388 -4.5090 -4.5068 -4.0562 -4.0517 -0.3338 -0.3308 0.9588 0.9636 2.0847 2.0891 4.9126 4.9139 10.8666 10.8682 11.9553 11.9588 12.2315 12.2335 k =-0.1734 0.1494 0.7174 ( 3328 PWs) bands (ev): -47.5049 -47.5049 -22.4824 -22.4822 -19.5741 -19.5710 -19.4094 -19.4074 -19.3743 -19.3694 -17.7896 -17.7893 -7.6517 -7.6513 -4.8508 -4.8488 -4.5124 -4.5101 -4.0515 -4.0472 -0.3503 -0.3474 0.9393 0.9439 2.0894 2.0937 4.9074 4.9086 10.8596 10.8610 11.9911 11.9948 12.2553 12.2573 k =-0.1632 0.1406 0.7174 ( 3324 PWs) bands (ev): -47.5049 -47.5049 -22.4823 -22.4821 -19.5746 -19.5718 -19.4102 -19.4082 -19.3741 -19.3694 -17.7876 -17.7873 -7.6399 -7.6395 -4.8607 -4.8588 -4.5152 -4.5129 -4.0472 -4.0429 -0.3663 -0.3634 0.9202 0.9247 2.0940 2.0981 4.9028 4.9040 10.8530 10.8544 12.0243 12.0283 12.2798 12.2817 k =-0.1530 0.1318 0.7174 ( 3328 PWs) bands (ev): -47.5049 -47.5049 -22.4822 -22.4820 -19.5752 -19.5726 -19.4109 -19.4090 -19.3739 -19.3695 -17.7856 -17.7853 -7.6282 -7.6279 -4.8707 -4.8689 -4.5174 -4.5151 -4.0431 -4.0390 -0.3817 -0.3789 0.9016 0.9060 2.0983 2.1022 4.8986 4.8998 10.8470 10.8483 12.0546 12.0588 12.3050 12.3070 k =-0.1428 0.1231 0.7174 ( 3330 PWs) bands (ev): -47.5049 -47.5049 -22.4820 -22.4819 -19.5758 -19.5734 -19.4117 -19.4099 -19.3737 -19.3696 -17.7836 -17.7833 -7.6169 -7.6166 -4.8805 -4.8789 -4.5190 -4.5168 -4.0394 -4.0354 -0.3965 -0.3938 0.8836 0.8878 2.1023 2.1061 4.8950 4.8961 10.8415 10.8428 12.0817 12.0861 12.3312 12.3331 k =-0.1326 0.1143 0.7174 ( 3334 PWs) bands (ev): -47.5049 -47.5049 -22.4819 -22.4818 -19.5765 -19.5743 -19.4125 -19.4108 -19.3735 -19.3697 -17.7815 -17.7812 -7.6059 -7.6057 -4.8903 -4.8888 -4.5201 -4.5179 -4.0360 -4.0322 -0.4105 -0.4079 0.8663 0.8703 2.1061 2.1096 4.8919 4.8929 10.8366 10.8377 12.1056 12.1101 12.3583 12.3602 k =-0.1224 0.1055 0.7174 ( 3330 PWs) bands (ev): -47.5048 -47.5048 -22.4818 -22.4816 -19.5771 -19.5751 -19.4132 -19.4116 -19.3733 -19.3698 -17.7795 -17.7793 -7.5954 -7.5952 -4.8998 -4.8984 -4.5208 -4.5186 -4.0329 -4.0293 -0.4236 -0.4212 0.8498 0.8536 2.1097 2.1130 4.8892 4.8901 10.8320 10.8331 12.1264 12.1308 12.3862 12.3881 k =-0.1122 0.0967 0.7174 ( 3333 PWs) bands (ev): -47.5048 -47.5048 -22.4816 -22.4815 -19.5777 -19.5759 -19.4140 -19.4125 -19.3731 -19.3699 -17.7776 -17.7773 -7.5854 -7.5852 -4.9090 -4.9078 -4.5210 -4.5189 -4.0301 -4.0267 -0.4359 -0.4336 0.8342 0.8377 2.1129 2.1160 4.8868 4.8877 10.8280 10.8289 12.1441 12.1484 12.4145 12.4164 k =-0.1020 0.0879 0.7174 ( 3335 PWs) bands (ev): -47.5048 -47.5048 -22.4815 -22.4814 -19.5784 -19.5768 -19.4147 -19.4133 -19.3729 -19.3700 -17.7757 -17.7755 -7.5760 -7.5758 -4.9179 -4.9167 -4.5208 -4.5189 -4.0277 -4.0246 -0.4473 -0.4451 0.8196 0.8229 2.1160 2.1188 4.8848 4.8856 10.8244 10.8252 12.1591 12.1632 12.4430 12.4448 k =-0.0918 0.0791 0.7174 ( 3341 PWs) bands (ev): -47.5048 -47.5048 -22.4813 -22.4812 -19.5790 -19.5776 -19.4154 -19.4141 -19.3728 -19.3702 -17.7740 -17.7737 -7.5673 -7.5671 -4.9262 -4.9252 -4.5204 -4.5186 -4.0256 -4.0227 -0.4576 -0.4556 0.8061 0.8091 2.1187 2.1213 4.8831 4.8839 10.8212 10.8219 12.1716 12.1755 12.4710 12.4727 k =-0.0816 0.0703 0.7174 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4812 -22.4811 -19.5796 -19.5783 -19.4160 -19.4149 -19.3726 -19.3703 -17.7723 -17.7721 -7.5593 -7.5591 -4.9340 -4.9331 -4.5197 -4.5180 -4.0238 -4.0211 -0.4670 -0.4651 0.7937 0.7964 2.1212 2.1235 4.8817 4.8824 10.8183 10.8190 12.1820 12.1855 12.4981 12.4997 k =-0.0714 0.0615 0.7174 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4811 -22.4810 -19.5801 -19.5790 -19.4165 -19.4155 -19.3724 -19.3704 -17.7708 -17.7706 -7.5521 -7.5519 -4.9411 -4.9403 -4.5189 -4.5174 -4.0222 -4.0198 -0.4752 -0.4736 0.7826 0.7850 2.1234 2.1254 4.8806 4.8812 10.8159 10.8165 12.1905 12.1937 12.5237 12.5252 k =-0.0612 0.0527 0.7174 ( 3341 PWs) bands (ev): -47.5048 -47.5048 -22.4810 -22.4809 -19.5806 -19.5797 -19.4170 -19.4162 -19.3722 -19.3705 -17.7695 -17.7693 -7.5457 -7.5456 -4.9474 -4.9467 -4.5180 -4.5167 -4.0209 -4.0188 -0.4824 -0.4810 0.7729 0.7750 2.1254 2.1271 4.8797 4.8802 10.8138 10.8143 12.1975 12.2002 12.5474 12.5486 k =-0.0510 0.0439 0.7174 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4809 -22.4808 -19.5810 -19.5802 -19.4174 -19.4167 -19.3721 -19.3707 -17.7683 -17.7682 -7.5402 -7.5401 -4.9528 -4.9523 -4.5171 -4.5159 -4.0198 -4.0180 -0.4885 -0.4873 0.7645 0.7663 2.1270 2.1285 4.8790 4.8794 10.8121 10.8125 12.2030 12.2054 12.5685 12.5695 k =-0.0408 0.0352 0.7174 ( 3342 PWs) bands (ev): -47.5048 -47.5048 -22.4808 -22.4807 -19.5813 -19.5807 -19.4177 -19.4172 -19.3719 -19.3708 -17.7673 -17.7672 -7.5356 -7.5355 -4.9574 -4.9570 -4.5163 -4.5153 -4.0189 -4.0175 -0.4935 -0.4925 0.7576 0.7590 2.1284 2.1296 4.8784 4.8788 10.8107 10.8111 12.2074 12.2093 12.5865 12.5874 k =-0.0306 0.0264 0.7174 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4807 -22.4807 -19.5816 -19.5811 -19.4180 -19.4175 -19.3718 -19.3709 -17.7666 -17.7665 -7.5320 -7.5320 -4.9610 -4.9607 -4.5155 -4.5148 -4.0182 -4.0171 -0.4973 -0.4966 0.7522 0.7533 2.1296 2.1304 4.8781 4.8783 10.8097 10.8099 12.2107 12.2121 12.6011 12.6018 k =-0.0204 0.0176 0.7174 ( 3344 PWs) bands (ev): -47.5048 -47.5048 -22.4806 -22.4806 -19.5817 -19.5814 -19.4181 -19.4179 -19.3716 -19.3711 -17.7660 -17.7659 -7.5295 -7.5294 -4.9636 -4.9634 -4.5149 -4.5144 -4.0176 -4.0169 -0.5000 -0.4995 0.7484 0.7491 2.1304 2.1310 4.8778 4.8780 10.8090 10.8091 12.2130 12.2140 12.6119 12.6123 k =-0.0102 0.0088 0.7174 ( 3346 PWs) bands (ev): -47.5048 -47.5048 -22.4806 -22.4806 -19.5818 -19.5817 -19.4182 -19.4181 -19.3715 -19.3712 -17.7657 -17.7656 -7.5279 -7.5279 -4.9652 -4.9651 -4.5145 -4.5142 -4.0172 -4.0169 -0.5016 -0.5014 0.7462 0.7466 2.1310 2.1313 4.8776 4.8777 10.8085 10.8086 12.2145 12.2150 12.6185 12.6187 k = 0.0000 0.0000 0.7174 ( 3346 PWs) bands (ev): -47.5048 -47.5048 -22.4806 -22.4806 -19.5818 -19.5818 -19.4182 -19.4182 -19.3714 -19.3714 -17.7655 -17.7655 -7.5274 -7.5274 -4.9657 -4.9657 -4.5143 -4.5143 -4.0170 -4.0170 -0.5021 -0.5021 0.7456 0.7456 2.1312 2.1312 4.8776 4.8776 10.8084 10.8084 12.2152 12.2152 12.6208 12.6208 k = 0.0000 0.0000 0.7174 ( 3346 PWs) bands (ev): -47.5048 -47.5048 -22.4806 -22.4806 -19.5818 -19.5818 -19.4182 -19.4182 -19.3714 -19.3714 -17.7655 -17.7655 -7.5274 -7.5274 -4.9657 -4.9657 -4.5143 -4.5143 -4.0170 -4.0170 -0.5021 -0.5021 0.7456 0.7456 2.1312 2.1312 4.8776 4.8776 10.8084 10.8084 12.2152 12.2152 12.6208 12.6208 k = 0.0086 0.0100 0.7174 ( 3348 PWs) bands (ev): -47.5048 -47.5048 -22.4806 -22.4806 -19.5820 -19.5815 -19.4185 -19.4178 -19.3714 -19.3713 -17.7656 -17.7655 -7.5274 -7.5274 -4.9659 -4.9657 -4.5142 -4.5140 -4.0172 -4.0171 -0.5018 -0.5017 0.7456 0.7456 2.1313 2.1313 4.8775 4.8777 10.8092 10.8094 12.2151 12.2153 12.6187 12.6193 k = 0.0172 0.0200 0.7174 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4807 -22.4807 -19.5822 -19.5812 -19.4188 -19.4174 -19.3713 -19.3711 -17.7656 -17.7655 -7.5277 -7.5276 -4.9665 -4.9661 -4.5138 -4.5133 -4.0176 -4.0174 -0.5010 -0.5007 0.7456 0.7457 2.1314 2.1314 4.8773 4.8778 10.8118 10.8122 12.2153 12.2157 12.6131 12.6141 k = 0.0259 0.0300 0.7174 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4808 -22.4808 -19.5825 -19.5809 -19.4192 -19.4171 -19.3712 -19.3709 -17.7657 -17.7655 -7.5280 -7.5279 -4.9674 -4.9669 -4.5131 -4.5123 -4.0184 -4.0181 -0.4997 -0.4993 0.7457 0.7459 2.1317 2.1317 4.8771 4.8779 10.8161 10.8168 12.2156 12.2163 12.6039 12.6054 k = 0.0345 0.0400 0.7174 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4809 -22.4809 -19.5826 -19.5805 -19.4194 -19.4166 -19.3711 -19.3707 -17.7657 -17.7655 -7.5285 -7.5284 -4.9686 -4.9679 -4.5121 -4.5110 -4.0194 -4.0190 -0.4977 -0.4972 0.7459 0.7461 2.1320 2.1321 4.8769 4.8779 10.8222 10.8231 12.2162 12.2170 12.5913 12.5933 k = 0.0431 0.0500 0.7174 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4810 -22.4810 -19.5828 -19.5802 -19.4197 -19.4163 -19.3710 -19.3704 -17.7658 -17.7655 -7.5291 -7.5290 -4.9702 -4.9692 -4.5108 -4.5095 -4.0207 -4.0202 -0.4953 -0.4946 0.7461 0.7463 2.1325 2.1325 4.8767 4.8779 10.8301 10.8312 12.2168 12.2179 12.5754 12.5779 k = 0.0517 0.0600 0.7174 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4812 -22.4812 -19.5829 -19.5798 -19.4200 -19.4159 -19.3708 -19.3701 -17.7659 -17.7655 -7.5298 -7.5297 -4.9720 -4.9709 -4.5092 -4.5076 -4.0222 -4.0216 -0.4924 -0.4916 0.7463 0.7466 2.1330 2.1330 4.8764 4.8779 10.8397 10.8410 12.2177 12.2190 12.5564 12.5593 k = 0.0603 0.0700 0.7174 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4814 -22.4814 -19.5830 -19.5794 -19.4203 -19.4154 -19.3705 -19.3698 -17.7660 -17.7655 -7.5306 -7.5305 -4.9740 -4.9727 -4.5073 -4.5055 -4.0240 -4.0233 -0.4890 -0.4881 0.7466 0.7469 2.1336 2.1337 4.8761 4.8779 10.8509 10.8525 12.2187 12.2202 12.5345 12.5378 k = 0.0690 0.0800 0.7174 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4817 -22.4817 -19.5831 -19.5790 -19.4205 -19.4150 -19.3703 -19.3694 -17.7661 -17.7656 -7.5316 -7.5314 -4.9762 -4.9748 -4.5052 -4.5032 -4.0260 -4.0252 -0.4852 -0.4841 0.7469 0.7473 2.1343 2.1343 4.8758 4.8778 10.8639 10.8656 12.2198 12.2215 12.5099 12.5136 k = 0.0776 0.0900 0.7174 ( 3342 PWs) bands (ev): -47.5048 -47.5048 -22.4820 -22.4820 -19.5832 -19.5786 -19.4208 -19.4146 -19.3700 -19.3690 -17.7662 -17.7656 -7.5326 -7.5325 -4.9786 -4.9771 -4.5029 -4.5007 -4.0281 -4.0272 -0.4811 -0.4799 0.7472 0.7476 2.1351 2.1351 4.8755 4.8777 10.8784 10.8804 12.2211 12.2230 12.4828 12.4868 k = 0.0862 0.1000 0.7174 ( 3344 PWs) bands (ev): -47.5048 -47.5048 -22.4823 -22.4823 -19.5833 -19.5782 -19.4210 -19.4142 -19.3697 -19.3686 -17.7663 -17.7657 -7.5337 -7.5335 -4.9812 -4.9795 -4.5005 -4.4981 -4.0304 -4.0294 -0.4766 -0.4753 0.7476 0.7480 2.1359 2.1359 4.8752 4.8776 10.8946 10.8967 12.2224 12.2245 12.4535 12.4578 k = 0.0948 0.1100 0.7174 ( 3342 PWs) bands (ev): -47.5048 -47.5048 -22.4826 -22.4826 -19.5833 -19.5778 -19.4212 -19.4138 -19.3693 -19.3681 -17.7664 -17.7657 -7.5349 -7.5347 -4.9839 -4.9821 -4.4979 -4.4953 -4.0328 -4.0317 -0.4718 -0.4704 0.7480 0.7485 2.1367 2.1367 4.8748 4.8775 10.9122 10.9145 12.2239 12.2262 12.4221 12.4268 k = 0.1034 0.1200 0.7174 ( 3342 PWs) bands (ev): -47.5048 -47.5048 -22.4829 -22.4829 -19.5834 -19.5774 -19.4214 -19.4134 -19.3689 -19.3676 -17.7665 -17.7658 -7.5361 -7.5359 -4.9867 -4.9847 -4.4952 -4.4925 -4.0353 -4.0341 -0.4669 -0.4654 0.7484 0.7489 2.1377 2.1377 4.8745 4.8773 10.9312 10.9338 12.2255 12.2280 12.3890 12.3940 k = 0.1121 0.1300 0.7174 ( 3342 PWs) bands (ev): -47.5048 -47.5048 -22.4832 -22.4832 -19.5834 -19.5770 -19.4216 -19.4130 -19.3685 -19.3671 -17.7666 -17.7659 -7.5374 -7.5371 -4.9895 -4.9874 -4.4925 -4.4896 -4.0378 -4.0366 -0.4618 -0.4602 0.7488 0.7494 2.1386 2.1386 4.8741 4.8772 10.9517 10.9544 12.2271 12.2298 12.3545 12.3597 k = 0.1207 0.1400 0.7174 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4836 -22.4835 -19.5834 -19.5766 -19.4218 -19.4126 -19.3681 -19.3665 -17.7668 -17.7659 -7.5386 -7.5384 -4.9923 -4.9901 -4.4898 -4.4867 -4.0404 -4.0391 -0.4567 -0.4549 0.7492 0.7499 2.1396 2.1397 4.8738 4.8770 10.9734 10.9763 12.2288 12.2316 12.3187 12.3241 k = 0.1293 0.1500 0.7174 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4839 -22.4839 -19.5833 -19.5761 -19.4219 -19.4123 -19.3676 -19.3660 -17.7669 -17.7660 -7.5399 -7.5397 -4.9951 -4.9929 -4.4870 -4.4838 -4.0430 -4.0416 -0.4515 -0.4496 0.7497 0.7504 2.1407 2.1407 4.8734 4.8769 10.9962 10.9993 12.2306 12.2335 12.2820 12.2876 k = 0.1379 0.1600 0.7174 ( 3330 PWs) bands (ev): -47.5048 -47.5048 -22.4842 -22.4842 -19.5833 -19.5757 -19.4221 -19.4119 -19.3671 -19.3654 -17.7670 -17.7661 -7.5412 -7.5409 -4.9978 -4.9955 -4.4843 -4.4810 -4.0455 -4.0441 -0.4463 -0.4444 0.7501 0.7508 2.1417 2.1417 4.8731 4.8767 11.0201 11.0234 12.2322 12.2354 12.2447 12.2504 k = 0.1466 0.1700 0.7174 ( 3324 PWs) bands (ev): -47.5048 -47.5048 -22.4845 -22.4845 -19.5833 -19.5754 -19.4222 -19.4115 -19.3667 -19.3649 -17.7671 -17.7661 -7.5424 -7.5422 -5.0005 -4.9981 -4.4817 -4.4783 -4.0480 -4.0466 -0.4413 -0.4393 0.7506 0.7513 2.1427 2.1427 4.8728 4.8765 11.0449 11.0483 12.2068 12.2127 12.2341 12.2373 k = 0.1552 0.1800 0.7174 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4849 -22.4849 -19.5832 -19.5750 -19.4223 -19.4112 -19.3663 -19.3644 -17.7672 -17.7662 -7.5436 -7.5434 -5.0031 -5.0006 -4.4792 -4.4756 -4.0505 -4.0490 -0.4364 -0.4343 0.7510 0.7517 2.1437 2.1437 4.8725 4.8764 11.0703 11.0739 12.1689 12.1750 12.2358 12.2391 k = 0.1638 0.1900 0.7174 ( 3320 PWs) bands (ev): -47.5048 -47.5048 -22.4852 -22.4852 -19.5832 -19.5746 -19.4224 -19.4109 -19.3659 -19.3639 -17.7673 -17.7663 -7.5448 -7.5445 -5.0055 -5.0030 -4.4768 -4.4731 -4.0528 -4.0512 -0.4317 -0.4296 0.7514 0.7522 2.1446 2.1447 4.8722 4.8762 11.0963 11.1000 12.1313 12.1375 12.2374 12.2409 k = 0.1724 0.2000 0.7174 ( 3324 PWs) bands (ev): -47.5048 -47.5048 -22.4855 -22.4855 -19.5832 -19.5743 -19.4226 -19.4106 -19.3655 -19.3635 -17.7674 -17.7663 -7.5459 -7.5456 -5.0078 -5.0052 -4.4745 -4.4708 -4.0550 -4.0534 -0.4273 -0.4251 0.7518 0.7526 2.1455 2.1455 4.8719 4.8761 11.1224 11.1262 12.0943 12.1005 12.2390 12.2425 k = 0.1810 0.2100 0.7174 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4857 -22.4857 -19.5831 -19.5741 -19.4227 -19.4104 -19.3652 -19.3631 -17.7675 -17.7664 -7.5469 -7.5466 -5.0099 -5.0073 -4.4725 -4.4687 -4.0570 -4.0553 -0.4233 -0.4210 0.7521 0.7529 2.1463 2.1463 4.8717 4.8759 11.1485 11.1524 12.0583 12.0647 12.2404 12.2441 k = 0.1897 0.2200 0.7174 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4860 -22.4860 -19.5831 -19.5738 -19.4228 -19.4102 -19.3649 -19.3627 -17.7676 -17.7664 -7.5479 -7.5476 -5.0117 -5.0091 -4.4706 -4.4667 -4.0588 -4.0571 -0.4196 -0.4173 0.7524 0.7533 2.1471 2.1471 4.8714 4.8758 11.1740 11.1780 12.0239 12.0303 12.2418 12.2455 k = 0.1983 0.2301 0.7174 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4862 -22.4862 -19.5831 -19.5736 -19.4228 -19.4100 -19.3646 -19.3624 -17.7677 -17.7665 -7.5487 -7.5484 -5.0134 -5.0108 -4.4690 -4.4650 -4.0605 -4.0588 -0.4163 -0.4139 0.7527 0.7536 2.1478 2.1478 4.8712 4.8757 11.1985 11.2026 11.9915 11.9979 12.2430 12.2468 k = 0.2069 0.2401 0.7174 ( 3330 PWs) bands (ev): -47.5048 -47.5048 -22.4864 -22.4864 -19.5831 -19.5734 -19.4229 -19.4098 -19.3643 -19.3621 -17.7677 -17.7665 -7.5494 -7.5491 -5.0149 -5.0122 -4.4675 -4.4635 -4.0619 -4.0601 -0.4134 -0.4110 0.7529 0.7538 2.1484 2.1484 4.8710 4.8756 11.2213 11.2255 11.9619 11.9684 12.2441 12.2480 k = 0.2155 0.2501 0.7174 ( 3332 PWs) bands (ev): -47.5048 -47.5048 -22.4865 -22.4865 -19.5831 -19.5733 -19.4230 -19.4097 -19.3641 -19.3619 -17.7678 -17.7666 -7.5500 -7.5497 -5.0161 -5.0134 -4.4664 -4.4623 -4.0630 -4.0613 -0.4111 -0.4086 0.7531 0.7541 2.1489 2.1489 4.8709 4.8755 11.2418 11.2460 11.9358 11.9423 12.2450 12.2489 k = 0.2241 0.2601 0.7174 ( 3328 PWs) bands (ev): -47.5048 -47.5048 -22.4867 -22.4867 -19.5830 -19.5731 -19.4230 -19.4096 -19.3639 -19.3616 -17.7678 -17.7666 -7.5505 -7.5502 -5.0170 -5.0143 -4.4654 -4.4614 -4.0640 -4.0622 -0.4092 -0.4067 0.7533 0.7542 2.1493 2.1493 4.8708 4.8754 11.2591 11.2633 11.9141 11.9207 12.2457 12.2497 k = 0.2328 0.2701 0.7174 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4868 -22.4868 -19.5830 -19.5730 -19.4230 -19.4095 -19.3638 -19.3615 -17.7678 -17.7666 -7.5509 -7.5505 -5.0177 -5.0149 -4.4647 -4.4607 -4.0646 -4.0628 -0.4078 -0.4053 0.7534 0.7544 2.1496 2.1496 4.8707 4.8754 11.2723 11.2766 11.8977 11.9043 12.2462 12.2502 k = 0.2414 0.2801 0.7174 ( 3328 PWs) bands (ev): -47.5048 -47.5048 -22.4868 -22.4868 -19.5830 -19.5730 -19.4231 -19.4095 -19.3637 -19.3614 -17.7679 -17.7666 -7.5511 -7.5507 -5.0181 -5.0153 -4.4643 -4.4602 -4.0650 -4.0632 -0.4070 -0.4045 0.7535 0.7544 2.1498 2.1498 4.8706 4.8753 11.2807 11.2849 11.8875 11.8941 12.2465 12.2505 k = 0.2500 0.2901 0.7174 ( 3324 PWs) bands (ev): -47.5048 -47.5048 -22.4868 -22.4868 -19.5830 -19.5729 -19.4231 -19.4095 -19.3637 -19.3613 -17.7679 -17.7666 -7.5511 -7.5508 -5.0182 -5.0155 -4.4642 -4.4601 -4.0652 -4.0634 -0.4067 -0.4042 0.7535 0.7545 2.1499 2.1499 4.8706 4.8753 11.2835 11.2878 11.8840 11.8907 12.2466 12.2507 k = 0.2500 0.2901 0.7174 ( 3324 PWs) bands (ev): -47.5048 -47.5048 -22.4868 -22.4868 -19.5830 -19.5729 -19.4231 -19.4095 -19.3637 -19.3613 -17.7679 -17.7666 -7.5511 -7.5508 -5.0182 -5.0155 -4.4642 -4.4601 -4.0652 -4.0634 -0.4067 -0.4042 0.7535 0.7545 2.1499 2.1499 4.8706 4.8753 11.2835 11.2878 11.8840 11.8907 12.2466 12.2507 k = 0.2417 0.2972 0.7101 ( 3324 PWs) bands (ev): -47.5048 -47.5048 -22.4869 -22.4869 -19.5829 -19.5729 -19.4230 -19.4094 -19.3637 -19.3613 -17.7679 -17.7667 -7.5516 -7.5513 -5.0176 -5.0149 -4.4647 -4.4606 -4.0650 -4.0632 -0.4066 -0.4041 0.7546 0.7555 2.1496 2.1497 4.8704 4.8751 11.2829 11.2871 11.8703 11.8765 12.2619 12.2655 k = 0.2333 0.3044 0.7028 ( 3328 PWs) bands (ev): -47.5048 -47.5048 -22.4870 -22.4870 -19.5827 -19.5727 -19.4228 -19.4093 -19.3637 -19.3613 -17.7682 -17.7670 -7.5529 -7.5526 -5.0159 -5.0131 -4.4663 -4.4622 -4.0645 -4.0626 -0.4064 -0.4039 0.7577 0.7586 2.1490 2.1491 4.8699 4.8745 11.2810 11.2852 11.8343 11.8396 12.3020 12.3046 k = 0.2250 0.3116 0.6955 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4871 -22.4871 -19.5824 -19.5724 -19.4225 -19.4090 -19.3637 -19.3613 -17.7685 -17.7673 -7.5551 -7.5548 -5.0129 -5.0101 -4.4688 -4.4647 -4.0638 -4.0618 -0.4059 -0.4035 0.7629 0.7638 2.1480 2.1482 4.8689 4.8735 11.2778 11.2820 11.7853 11.7898 12.3570 12.3586 k = 0.2167 0.3188 0.6883 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4873 -22.4873 -19.5819 -19.5720 -19.4220 -19.4087 -19.3636 -19.3613 -17.7691 -17.7679 -7.5581 -7.5578 -5.0088 -5.0060 -4.4723 -4.4680 -4.0628 -4.0607 -0.4053 -0.4029 0.7701 0.7710 2.1466 2.1468 4.8676 4.8722 11.2735 11.2776 11.7299 11.7337 12.4201 12.4210 k = 0.2083 0.3260 0.6810 ( 3328 PWs) bands (ev): -47.5048 -47.5048 -22.4876 -22.4876 -19.5813 -19.5716 -19.4215 -19.4082 -19.3636 -19.3612 -17.7697 -17.7685 -7.5619 -7.5616 -5.0037 -5.0009 -4.4765 -4.4722 -4.0617 -4.0594 -0.4044 -0.4021 0.7792 0.7801 2.1448 2.1451 4.8659 4.8704 11.2679 11.2719 11.6716 11.6750 12.4874 12.4878 k = 0.2000 0.3332 0.6737 ( 3330 PWs) bands (ev): -47.5048 -47.5048 -22.4880 -22.4880 -19.5806 -19.5710 -19.4208 -19.4077 -19.3635 -19.3612 -17.7705 -17.7693 -7.5665 -7.5662 -4.9976 -4.9948 -4.4814 -4.4770 -4.0605 -4.0580 -0.4034 -0.4012 0.7900 0.7910 2.1427 2.1430 4.8638 4.8683 11.2611 11.2651 11.6124 11.6155 12.5564 12.5571 k = 0.1917 0.3403 0.6664 ( 3330 PWs) bands (ev): -47.5048 -47.5048 -22.4884 -22.4884 -19.5798 -19.5703 -19.4199 -19.4071 -19.3635 -19.3611 -17.7714 -17.7702 -7.5717 -7.5714 -4.9907 -4.9878 -4.4867 -4.4823 -4.0593 -4.0566 -0.4021 -0.4000 0.8026 0.8035 2.1403 2.1406 4.8614 4.8659 11.2533 11.2572 11.5534 11.5562 12.6259 12.6271 k = 0.1833 0.3475 0.6592 ( 3328 PWs) bands (ev): -47.5048 -47.5048 -22.4888 -22.4888 -19.5788 -19.5696 -19.4190 -19.4064 -19.3634 -19.3610 -17.7724 -17.7713 -7.5776 -7.5773 -4.9829 -4.9801 -4.4924 -4.4879 -4.0582 -4.0554 -0.4007 -0.3986 0.8167 0.8176 2.1376 2.1380 4.8587 4.8631 11.2444 11.2481 11.4952 11.4978 12.6947 12.6966 k = 0.1750 0.3547 0.6519 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4893 -22.4893 -19.5779 -19.5688 -19.4180 -19.4056 -19.3633 -19.3610 -17.7735 -17.7724 -7.5840 -7.5837 -4.9746 -4.9717 -4.4983 -4.4936 -4.0573 -4.0544 -0.3989 -0.3970 0.8321 0.8331 2.1345 2.1350 4.8557 4.8600 11.2344 11.2380 11.4383 11.4408 12.7619 12.7643 k = 0.1667 0.3619 0.6446 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4898 -22.4898 -19.5768 -19.5680 -19.4169 -19.4048 -19.3632 -19.3609 -17.7748 -17.7737 -7.5909 -7.5906 -4.9657 -4.9628 -4.5041 -4.4994 -4.0567 -4.0537 -0.3970 -0.3951 0.8488 0.8497 2.1313 2.1318 4.8525 4.8566 11.2235 11.2268 11.3831 11.3854 12.8261 12.8291 k = 0.1583 0.3691 0.6374 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4904 -22.4904 -19.5756 -19.5672 -19.4157 -19.4039 -19.3631 -19.3608 -17.7760 -17.7750 -7.5981 -7.5979 -4.9565 -4.9536 -4.5097 -4.5049 -4.0564 -4.0533 -0.3948 -0.3930 0.8664 0.8674 2.1278 2.1284 4.8489 4.8530 11.2115 11.2145 11.3297 11.3321 12.8864 12.8900 k = 0.1500 0.3763 0.6301 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4910 -22.4910 -19.5744 -19.5663 -19.4144 -19.4030 -19.3629 -19.3607 -17.7774 -17.7764 -7.6057 -7.6054 -4.9472 -4.9443 -4.5149 -4.5101 -4.0565 -4.0534 -0.3924 -0.3907 0.8849 0.8859 2.1242 2.1248 4.8452 4.8492 11.1982 11.2009 11.2789 11.2814 12.9414 12.9456 k = 0.1417 0.3834 0.6228 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4916 -22.4916 -19.5732 -19.5653 -19.4130 -19.4020 -19.3628 -19.3605 -17.7788 -17.7778 -7.6134 -7.6132 -4.9378 -4.9349 -4.5196 -4.5147 -4.0571 -4.0539 -0.3897 -0.3882 0.9040 0.9050 2.1205 2.1211 4.8413 4.8452 11.1825 11.1844 11.2320 11.2350 12.9903 12.9949 k = 0.1333 0.3906 0.6155 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4922 -22.4922 -19.5720 -19.5645 -19.4116 -19.4011 -19.3626 -19.3604 -17.7802 -17.7793 -7.6213 -7.6211 -4.9286 -4.9257 -4.5236 -4.5187 -4.0582 -4.0549 -0.3870 -0.3855 0.9235 0.9245 2.1167 2.1173 4.8374 4.8411 11.1591 11.1603 11.1942 11.1982 13.0320 13.0369 k = 0.1250 0.3978 0.6083 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4928 -22.4928 -19.5707 -19.5636 -19.4101 -19.4001 -19.3624 -19.3603 -17.7817 -17.7808 -7.6293 -7.6290 -4.9197 -4.9169 -4.5268 -4.5219 -4.0597 -4.0564 -0.3840 -0.3827 0.9432 0.9442 2.1128 2.1134 4.8333 4.8368 11.1229 11.1242 11.1713 11.1753 13.0661 13.0712 k = 0.1167 0.4050 0.6010 ( 3330 PWs) bands (ev): -47.5048 -47.5048 -22.4934 -22.4934 -19.5695 -19.5627 -19.4086 -19.3991 -19.3622 -19.3601 -17.7831 -17.7823 -7.6371 -7.6369 -4.9113 -4.9085 -4.5291 -4.5242 -4.0618 -4.0585 -0.3809 -0.3797 0.9629 0.9639 2.1090 2.1096 4.8291 4.8325 11.0825 11.0837 11.1551 11.1587 13.0926 13.0978 k = 0.1083 0.4122 0.5937 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4941 -22.4941 -19.5683 -19.5619 -19.4072 -19.3982 -19.3620 -19.3600 -17.7846 -17.7838 -7.6449 -7.6446 -4.9035 -4.9008 -4.5303 -4.5255 -4.0643 -4.0610 -0.3778 -0.3766 0.9823 0.9833 2.1051 2.1057 4.8250 4.8282 11.0426 11.0438 11.1407 11.1439 13.1120 13.1170 k = 0.1000 0.4193 0.5864 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4947 -22.4946 -19.5670 -19.5611 -19.4057 -19.3972 -19.3618 -19.3598 -17.7860 -17.7853 -7.6524 -7.6522 -4.8964 -4.8938 -4.5306 -4.5259 -4.0672 -4.0640 -0.3746 -0.3735 1.0014 1.0024 2.1014 2.1020 4.8209 4.8239 11.0047 11.0058 11.1271 11.1300 13.1250 13.1298 k = 0.0917 0.4265 0.5792 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4952 -22.4952 -19.5659 -19.5604 -19.4042 -19.3964 -19.3615 -19.3597 -17.7874 -17.7867 -7.6596 -7.6594 -4.8901 -4.8876 -4.5298 -4.5252 -4.0705 -4.0673 -0.3714 -0.3705 1.0198 1.0208 2.0977 2.0983 4.8169 4.8197 10.9690 10.9701 11.1141 11.1168 13.1327 13.1372 k = 0.0833 0.4337 0.5719 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4958 -22.4958 -19.5648 -19.5597 -19.4028 -19.3956 -19.3612 -19.3595 -17.7887 -17.7881 -7.6664 -7.6662 -4.8846 -4.8822 -4.5281 -4.5237 -4.0741 -4.0710 -0.3683 -0.3674 1.0374 1.0383 2.0943 2.0949 4.8131 4.8157 10.9360 10.9369 11.1018 11.1042 13.1362 13.1402 k = 0.0750 0.4409 0.5646 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4963 -22.4963 -19.5637 -19.5591 -19.4014 -19.3948 -19.3610 -19.3594 -17.7899 -17.7893 -7.6728 -7.6727 -4.8799 -4.8777 -4.5256 -4.5214 -4.0778 -4.0750 -0.3653 -0.3645 1.0540 1.0548 2.0910 2.0916 4.8094 4.8118 10.9056 10.9065 11.0902 11.0923 13.1364 13.1400 k = 0.0667 0.4481 0.5573 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4968 -22.4968 -19.5627 -19.5586 -19.4001 -19.3942 -19.3607 -19.3593 -17.7911 -17.7906 -7.6787 -7.6786 -4.8760 -4.8740 -4.5224 -4.5185 -4.0817 -4.0790 -0.3624 -0.3617 1.0693 1.0701 2.0880 2.0885 4.8060 4.8082 10.8780 10.8789 11.0794 11.0813 13.1343 13.1374 k = 0.0583 0.4553 0.5501 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4972 -22.4972 -19.5618 -19.5582 -19.3989 -19.3937 -19.3605 -19.3592 -17.7921 -17.7916 -7.6841 -7.6840 -4.8729 -4.8711 -4.5187 -4.5152 -4.0856 -4.0831 -0.3597 -0.3591 1.0834 1.0841 2.0852 2.0857 4.8030 4.8048 10.8534 10.8542 11.0696 11.0713 13.1307 13.1334 k = 0.0500 0.4624 0.5428 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4976 -22.4976 -19.5610 -19.5579 -19.3978 -19.3933 -19.3602 -19.3591 -17.7930 -17.7926 -7.6888 -7.6887 -4.8703 -4.8688 -4.5148 -4.5117 -4.0893 -4.0871 -0.3573 -0.3568 1.0958 1.0965 2.0828 2.0832 4.8002 4.8019 10.8319 10.8325 11.0610 11.0624 13.1263 13.1286 k = 0.0417 0.4696 0.5355 ( 3340 PWs) bands (ev): -47.5048 -47.5048 -22.4980 -22.4980 -19.5602 -19.5576 -19.3967 -19.3929 -19.3600 -19.3590 -17.7938 -17.7935 -7.6929 -7.6928 -4.8683 -4.8670 -4.5110 -4.5083 -4.0927 -4.0908 -0.3552 -0.3548 1.1066 1.1072 2.0807 2.0810 4.7978 4.7992 10.8135 10.8141 11.0534 11.0546 13.1217 13.1236 k = 0.0333 0.4768 0.5282 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4982 -22.4982 -19.5595 -19.5574 -19.3958 -19.3927 -19.3597 -19.3589 -17.7945 -17.7942 -7.6963 -7.6962 -4.8668 -4.8658 -4.5073 -4.5051 -4.0957 -4.0941 -0.3534 -0.3531 1.1157 1.1162 2.0789 2.0792 4.7958 4.7970 10.7984 10.7988 11.0472 11.0482 13.1174 13.1189 k = 0.0250 0.4840 0.5210 ( 3334 PWs) bands (ev): -47.5048 -47.5048 -22.4985 -22.4985 -19.5589 -19.5573 -19.3949 -19.3927 -19.3595 -19.3589 -17.7950 -17.7948 -7.6990 -7.6989 -4.8657 -4.8649 -4.5042 -4.5025 -4.0981 -4.0969 -0.3519 -0.3517 1.1229 1.1232 2.0775 2.0778 4.7943 4.7952 10.7865 10.7868 11.0423 11.0430 13.1137 13.1148 k = 0.0167 0.4912 0.5137 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4986 -22.4986 -19.5584 -19.5574 -19.3943 -19.3927 -19.3593 -19.3589 -17.7954 -17.7952 -7.7009 -7.7009 -4.8649 -4.8644 -4.5017 -4.5006 -4.0998 -4.0990 -0.3509 -0.3507 1.1280 1.1283 2.0766 2.0767 4.7933 4.7938 10.7780 10.7782 11.0388 11.0392 13.1109 13.1117 k = 0.0083 0.4984 0.5064 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4987 -22.4987 -19.5580 -19.5575 -19.3937 -19.3929 -19.3592 -19.3590 -17.7956 -17.7955 -7.7020 -7.7020 -4.8645 -4.8642 -4.5000 -4.4994 -4.1009 -4.1004 -0.3502 -0.3501 1.1312 1.1313 2.0760 2.0761 4.7926 4.7929 10.7729 10.7730 11.0367 11.0369 13.1093 13.1096 k = 0.0000 0.5055 0.4991 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4987 -22.4987 -19.5577 -19.5577 -19.3933 -19.3933 -19.3591 -19.3591 -17.7956 -17.7956 -7.7024 -7.7024 -4.8642 -4.8642 -4.4993 -4.4993 -4.1010 -4.1010 -0.3500 -0.3500 1.1323 1.1323 2.0758 2.0758 4.7925 4.7925 10.7713 10.7713 11.0361 11.0361 13.1088 13.1088 k = 0.0000 0.5055 0.4991 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4987 -22.4987 -19.5577 -19.5577 -19.3933 -19.3933 -19.3591 -19.3591 -17.7956 -17.7956 -7.7024 -7.7024 -4.8642 -4.8642 -4.4993 -4.4993 -4.1010 -4.1010 -0.3500 -0.3500 1.1323 1.1323 2.0758 2.0758 4.7925 4.7925 10.7713 10.7713 11.0361 11.0361 13.1088 13.1088 k = 0.0104 0.5115 0.4931 ( 3339 PWs) bands (ev): -47.5048 -47.5048 -22.4987 -22.4987 -19.5579 -19.5576 -19.3933 -19.3933 -19.3592 -19.3590 -17.7956 -17.7956 -7.7026 -7.7026 -4.8642 -4.8640 -4.4992 -4.4991 -4.1011 -4.1009 -0.3497 -0.3496 1.1323 1.1324 2.0756 2.0757 4.7927 4.7928 10.7719 10.7719 11.0364 11.0365 13.1075 13.1076 k = 0.0207 0.5174 0.4871 ( 3337 PWs) bands (ev): -47.5048 -47.5048 -22.4986 -22.4986 -19.5581 -19.5575 -19.3934 -19.3933 -19.3594 -19.3589 -17.7957 -17.7957 -7.7030 -7.7029 -4.8639 -4.8635 -4.4988 -4.4988 -4.1012 -4.1007 -0.3488 -0.3486 1.1325 1.1328 2.0751 2.0752 4.7933 4.7935 10.7740 10.7740 11.0374 11.0377 13.1037 13.1039 k = 0.0311 0.5233 0.4811 ( 3338 PWs) bands (ev): -47.5048 -47.5048 -22.4985 -22.4984 -19.5583 -19.5575 -19.3934 -19.3933 -19.3597 -19.3590 -17.7958 -17.7958 -7.7037 -7.7036 -4.8634 -4.8629 -4.4983 -4.4982 -4.1012 -4.1004 -0.3473 -0.3469 1.1329 1.1333 2.0743 2.0744 4.7944 4.7946 10.7774 10.7774 11.0391 11.0395 13.0974 13.0978 k = 0.0415 0.5293 0.4751 ( 3331 PWs) bands (ev): -47.5048 -47.5048 -22.4982 -22.4982 -19.5585 -19.5574 -19.3935 -19.3934 -19.3600 -19.3591 -17.7959 -17.7959 -7.7047 -7.7046 -4.8627 -4.8619 -4.4975 -4.4974 -4.1011 -4.1001 -0.3451 -0.3446 1.1335 1.1340 2.0731 2.0733 4.7958 4.7962 10.7821 10.7821 11.0415 11.0421 13.0887 13.0891 k = 0.0518 0.5352 0.4691 ( 3331 PWs) bands (ev): -47.5048 -47.5048 -22.4980 -22.4979 -19.5588 -19.5574 -19.3937 -19.3935 -19.3604 -19.3592 -17.7961 -17.7961 -7.7059 -7.7058 -4.8617 -4.8607 -4.4965 -4.4964 -4.1010 -4.0998 -0.3423 -0.3418 1.1342 1.1348 2.0717 2.0719 4.7978 4.7982 10.7881 10.7881 11.0446 11.0454 13.0775 13.0781 k = 0.0622 0.5412 0.4631 ( 3331 PWs) bands (ev): -47.5048 -47.5048 -22.4976 -22.4975 -19.5591 -19.5575 -19.3938 -19.3937 -19.3608 -19.3595 -17.7963 -17.7963 -7.7074 -7.7073 -4.8604 -4.8593 -4.4953 -4.4951 -4.1009 -4.0994 -0.3390 -0.3383 1.1351 1.1358 2.0700 2.0702 4.8002 4.8006 10.7954 10.7954 11.0484 11.0493 13.0638 13.0645 k = 0.0725 0.5471 0.4571 ( 3337 PWs) bands (ev): -47.5048 -47.5048 -22.4972 -22.4971 -19.5595 -19.5576 -19.3941 -19.3939 -19.3613 -19.3598 -17.7965 -17.7965 -7.7092 -7.7090 -4.8589 -4.8577 -4.4939 -4.4937 -4.1008 -4.0991 -0.3350 -0.3342 1.1362 1.1370 2.0680 2.0683 4.8030 4.8036 10.8040 10.8040 11.0527 11.0538 13.0477 13.0486 k = 0.0829 0.5530 0.4510 ( 3336 PWs) bands (ev): -47.5048 -47.5048 -22.4967 -22.4966 -19.5598 -19.5577 -19.3943 -19.3941 -19.3619 -19.3601 -17.7968 -17.7968 -7.7112 -7.7110 -4.8572 -4.8557 -4.4923 -4.4921 -4.1007 -4.0988 -0.3304 -0.3295 1.1375 1.1384 2.0658 2.0661 4.8063 4.8069 10.8137 10.8137 11.0577 11.0589 13.0293 13.0303 k = 0.0933 0.5590 0.4450 ( 3332 PWs) bands (ev): -47.5048 -47.5048 -22.4962 -22.4961 -19.5602 -19.5579 -19.3945 -19.3943 -19.3625 -19.3604 -17.7971 -17.7971 -7.7135 -7.7132 -4.8551 -4.8535 -4.4905 -4.4903 -4.1006 -4.0984 -0.3253 -0.3243 1.1390 1.1400 2.0634 2.0638 4.8101 4.8108 10.8246 10.8246 11.0633 11.0646 13.0085 13.0096 k = 0.1036 0.5649 0.4390 ( 3330 PWs) bands (ev): -47.5048 -47.5048 -22.4957 -22.4955 -19.5606 -19.5581 -19.3948 -19.3946 -19.3631 -19.3608 -17.7974 -17.7974 -7.7160 -7.7157 -4.8528 -4.8510 -4.4885 -4.4883 -4.1005 -4.0982 -0.3196 -0.3185 1.1406 1.1418 2.0608 2.0612 4.8144 4.8152 10.8366 10.8366 11.0693 11.0708 12.9854 12.9866 k = 0.1140 0.5708 0.4330 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4950 -22.4949 -19.5611 -19.5583 -19.3950 -19.3949 -19.3637 -19.3612 -17.7978 -17.7978 -7.7188 -7.7184 -4.8501 -4.8482 -4.4864 -4.4861 -4.1005 -4.0980 -0.3134 -0.3122 1.1425 1.1437 2.0581 2.0585 4.8192 4.8200 10.8496 10.8496 11.0759 11.0775 12.9599 12.9613 k = 0.1244 0.5768 0.4270 ( 3327 PWs) bands (ev): -47.5048 -47.5048 -22.4944 -22.4942 -19.5615 -19.5585 -19.3954 -19.3953 -19.3644 -19.3616 -17.7982 -17.7982 -7.7217 -7.7214 -4.8472 -4.8451 -4.4841 -4.4838 -4.1006 -4.0978 -0.3067 -0.3054 1.1445 1.1458 2.0552 2.0557 4.8245 4.8254 10.8634 10.8634 11.0829 11.0846 12.9321 12.9337 k = 0.1347 0.5827 0.4210 ( 3329 PWs) bands (ev): -47.5048 -47.5048 -22.4937 -22.4936 -19.5620 -19.5588 -19.3957 -19.3957 -19.3652 -19.3622 -17.7986 -17.7986 -7.7249 -7.7246 -4.8439 -4.8417 -4.4817 -4.4814 -4.1007 -4.0978 -0.2996 -0.2981 1.1467 1.1481 2.0523 2.0528 4.8303 4.8312 10.8781 10.8781 11.0904 11.0922 12.9021 12.9037 k = 0.1451 0.5886 0.4150 ( 3329 PWs) bands (ev): -47.5049 -47.5049 -22.4930 -22.4928 -19.5625 -19.5592 -19.3961 -19.3960 -19.3659 -19.3627 -17.7990 -17.7990 -7.7283 -7.7280 -4.8404 -4.8380 -4.4792 -4.4789 -4.1010 -4.0979 -0.2919 -0.2904 1.1491 1.1506 2.0492 2.0498 4.8366 4.8376 10.8934 10.8935 11.0984 11.1003 12.8697 12.8715 k = 0.1555 0.5946 0.4090 ( 3329 PWs) bands (ev): -47.5049 -47.5049 -22.4923 -22.4921 -19.5631 -19.5595 -19.3965 -19.3964 -19.3667 -19.3632 -17.7994 -17.7994 -7.7319 -7.7315 -4.8365 -4.8340 -4.4765 -4.4762 -4.1014 -4.0981 -0.2839 -0.2822 1.1517 1.1533 2.0461 2.0467 4.8435 4.8445 10.9092 10.9093 11.1068 11.1088 12.8350 12.8370 k = 0.1658 0.6005 0.4029 ( 3329 PWs) bands (ev): -47.5049 -47.5049 -22.4915 -22.4913 -19.5636 -19.5599 -19.3970 -19.3967 -19.3675 -19.3637 -17.7999 -17.7999 -7.7357 -7.7353 -4.8323 -4.8297 -4.4738 -4.4735 -4.1019 -4.0985 -0.2754 -0.2737 1.1544 1.1562 2.0430 2.0436 4.8509 4.8520 10.9253 10.9254 11.1159 11.1179 12.7981 12.8001 k = 0.1762 0.6064 0.3969 ( 3329 PWs) bands (ev): -47.5049 -47.5049 -22.4908 -22.4906 -19.5642 -19.5603 -19.3975 -19.3971 -19.3683 -19.3642 -17.8004 -17.8004 -7.7397 -7.7392 -4.8277 -4.8250 -4.4710 -4.4706 -4.1026 -4.0991 -0.2666 -0.2648 1.1574 1.1592 2.0400 2.0406 4.8588 4.8600 10.9413 10.9416 11.1256 11.1275 12.7587 12.7609 k = 0.1866 0.6124 0.3909 ( 3333 PWs) bands (ev): -47.5049 -47.5049 -22.4900 -22.4898 -19.5647 -19.5607 -19.3980 -19.3975 -19.3691 -19.3648 -17.8008 -17.8008 -7.7438 -7.7433 -4.8228 -4.8200 -4.4682 -4.4678 -4.1035 -4.0998 -0.2575 -0.2556 1.1605 1.1624 2.0369 2.0376 4.8673 4.8685 10.9571 10.9576 11.1361 11.1380 12.7171 12.7193 k = 0.1969 0.6183 0.3849 ( 3333 PWs) bands (ev): -47.5049 -47.5049 -22.4892 -22.4890 -19.5653 -19.5612 -19.3986 -19.3979 -19.3698 -19.3653 -17.8013 -17.8013 -7.7481 -7.7476 -4.8176 -4.8147 -4.4653 -4.4649 -4.1045 -4.1006 -0.2480 -0.2460 1.1638 1.1657 2.0340 2.0347 4.8763 4.8776 10.9723 10.9729 11.1477 11.1494 12.6731 12.6754 k = 0.2073 0.6243 0.3789 ( 3332 PWs) bands (ev): -47.5049 -47.5049 -22.4885 -22.4882 -19.5658 -19.5616 -19.3991 -19.3983 -19.3706 -19.3659 -17.8018 -17.8018 -7.7525 -7.7520 -4.8120 -4.8090 -4.4623 -4.4619 -4.1056 -4.1017 -0.2382 -0.2362 1.1672 1.1693 2.0311 2.0318 4.8859 4.8872 10.9864 10.9873 11.1606 11.1621 12.6267 12.6291 k = 0.2176 0.6302 0.3729 ( 3330 PWs) bands (ev): -47.5049 -47.5049 -22.4877 -22.4875 -19.5664 -19.5621 -19.3997 -19.3987 -19.3713 -19.3663 -17.8023 -17.8023 -7.7570 -7.7565 -4.8061 -4.8030 -4.4594 -4.4590 -4.1070 -4.1029 -0.2283 -0.2261 1.1708 1.1729 2.0284 2.0291 4.8960 4.8973 10.9990 11.0002 11.1749 11.1761 12.5780 12.5804 k = 0.2280 0.6361 0.3669 ( 3331 PWs) bands (ev): -47.5049 -47.5049 -22.4870 -22.4867 -19.5670 -19.5626 -19.4003 -19.3991 -19.3720 -19.3668 -17.8028 -17.8028 -7.7617 -7.7611 -4.7998 -4.7967 -4.4565 -4.4561 -4.1085 -4.1044 -0.2181 -0.2159 1.1745 1.1767 2.0257 2.0265 4.9066 4.9080 11.0099 11.0114 11.1909 11.1918 12.5270 12.5294 k = 0.2384 0.6421 0.3609 ( 3337 PWs) bands (ev): -47.5050 -47.5050 -22.4863 -22.4860 -19.5675 -19.5631 -19.4009 -19.3996 -19.3728 -19.3673 -17.8032 -17.8032 -7.7664 -7.7658 -4.7933 -4.7901 -4.4537 -4.4532 -4.1102 -4.1060 -0.2077 -0.2055 1.1784 1.1806 2.0233 2.0240 4.9177 4.9191 11.0187 11.0206 11.2085 11.2091 12.4738 12.4762 k = 0.2487 0.6480 0.3548 ( 3337 PWs) bands (ev): -47.5050 -47.5050 -22.4856 -22.4854 -19.5681 -19.5636 -19.4015 -19.4000 -19.3734 -19.3678 -17.8037 -17.8037 -7.7712 -7.7706 -4.7864 -4.7831 -4.4508 -4.4504 -4.1121 -4.1078 -0.1972 -0.1949 1.1823 1.1846 2.0209 2.0217 4.9293 4.9308 11.0254 11.0277 11.2277 11.2279 12.4186 12.4209 k = 0.2591 0.6539 0.3488 ( 3339 PWs) bands (ev): -47.5050 -47.5050 -22.4850 -22.4847 -19.5686 -19.5641 -19.4021 -19.4005 -19.3740 -19.3682 -17.8041 -17.8041 -7.7761 -7.7755 -4.7791 -4.7758 -4.4481 -4.4476 -4.1141 -4.1097 -0.1866 -0.1843 1.1863 1.1887 2.0188 2.0196 4.9414 4.9429 11.0300 11.0326 11.2480 11.2482 12.3615 12.3638 k = 0.2695 0.6599 0.3428 ( 3341 PWs) bands (ev): -47.5050 -47.5050 -22.4844 -22.4841 -19.5692 -19.5646 -19.4027 -19.4009 -19.3745 -19.3686 -17.8046 -17.8046 -7.7810 -7.7804 -4.7716 -4.7683 -4.4455 -4.4450 -4.1162 -4.1118 -0.1760 -0.1735 1.1904 1.1929 2.0168 2.0177 4.9539 4.9554 11.0326 11.0354 11.2690 11.2694 12.3030 12.3052 k = 0.2798 0.6658 0.3368 ( 3336 PWs) bands (ev): -47.5050 -47.5050 -22.4839 -22.4836 -19.5697 -19.5651 -19.4033 -19.4014 -19.3750 -19.3689 -17.8050 -17.8050 -7.7859 -7.7853 -4.7637 -4.7604 -4.4429 -4.4424 -4.1185 -4.1141 -0.1652 -0.1628 1.1946 1.1970 2.0150 2.0159 4.9669 4.9684 11.0333 11.0363 11.2901 11.2909 12.2437 12.2457 k = 0.2902 0.6717 0.3308 ( 3340 PWs) bands (ev): -47.5050 -47.5050 -22.4834 -22.4831 -19.5702 -19.5657 -19.4039 -19.4019 -19.3754 -19.3692 -17.8054 -17.8054 -7.7909 -7.7902 -4.7556 -4.7522 -4.4405 -4.4400 -4.1209 -4.1165 -0.1546 -0.1521 1.1988 1.2012 2.0134 2.0143 4.9802 4.9817 11.0322 11.0354 11.3106 11.3116 12.1843 12.1862 k = 0.3006 0.6777 0.3248 ( 3336 PWs) bands (ev): -47.5051 -47.5051 -22.4829 -22.4827 -19.5706 -19.5661 -19.4045 -19.4023 -19.3757 -19.3694 -17.8057 -17.8057 -7.7958 -7.7952 -4.7472 -4.7438 -4.4382 -4.4377 -4.1235 -4.1190 -0.1439 -0.1413 1.2029 1.2054 2.0120 2.0129 4.9938 4.9953 11.0295 11.0328 11.3293 11.3305 12.1260 12.1276 k = 0.3109 0.6836 0.3188 ( 3337 PWs) bands (ev): -47.5051 -47.5051 -22.4826 -22.4823 -19.5711 -19.5666 -19.4050 -19.4028 -19.3760 -19.3696 -17.8060 -17.8060 -7.8007 -7.8001 -4.7385 -4.7351 -4.4360 -4.4356 -4.1261 -4.1216 -0.1332 -0.1307 1.2070 1.2096 2.0108 2.0116 5.0078 5.0093 11.0254 11.0287 11.3445 11.3460 12.0704 12.0718 k = 0.3213 0.6896 0.3128 ( 3337 PWs) bands (ev): -47.5051 -47.5051 -22.4823 -22.4820 -19.5715 -19.5671 -19.4056 -19.4032 -19.3762 -19.3698 -17.8063 -17.8063 -7.8056 -7.8050 -4.7296 -4.7262 -4.4341 -4.4336 -4.1288 -4.1243 -0.1227 -0.1201 1.2111 1.2136 2.0097 2.0106 5.0220 5.0235 11.0199 11.0233 11.3543 11.3560 12.0198 12.0209 k = 0.3317 0.6955 0.3068 ( 3343 PWs) bands (ev): -47.5051 -47.5051 -22.4821 -22.4818 -19.5720 -19.5676 -19.4061 -19.4037 -19.3764 -19.3699 -17.8066 -17.8066 -7.8105 -7.8098 -4.7204 -4.7170 -4.4323 -4.4318 -4.1315 -4.1271 -0.1122 -0.1096 1.2150 1.2175 2.0087 2.0096 5.0364 5.0379 11.0132 11.0166 11.3559 11.3577 11.9769 11.9779 k = 0.3420 0.7014 0.3007 ( 3347 PWs) bands (ev): -47.5051 -47.5051 -22.4820 -22.4817 -19.5724 -19.5681 -19.4067 -19.4041 -19.3765 -19.3700 -17.8068 -17.8068 -7.8152 -7.8146 -4.7110 -4.7076 -4.4307 -4.4303 -4.1343 -4.1299 -0.1019 -0.0993 1.2188 1.2213 2.0079 2.0088 5.0510 5.0525 11.0054 11.0088 11.3464 11.3484 11.9450 11.9458 k = 0.3524 0.7074 0.2947 ( 3339 PWs) bands (ev): -47.5052 -47.5052 -22.4819 -22.4817 -19.5727 -19.5685 -19.4071 -19.4045 -19.3764 -19.3700 -17.8070 -17.8070 -7.8199 -7.8192 -4.7014 -4.6980 -4.4293 -4.4289 -4.1371 -4.1328 -0.0917 -0.0891 1.2224 1.2250 2.0073 2.0082 5.0657 5.0672 10.9964 10.9997 11.3238 11.3258 11.9264 11.9271 k = 0.3524 0.7074 0.2947 ( 3339 PWs) bands (ev): -47.5052 -47.5052 -22.4819 -22.4817 -19.5727 -19.5685 -19.4071 -19.4045 -19.3764 -19.3700 -17.8070 -17.8070 -7.8199 -7.8192 -4.7014 -4.6980 -4.4293 -4.4289 -4.1371 -4.1328 -0.0917 -0.0891 1.2224 1.2250 2.0073 2.0082 5.0657 5.0672 10.9964 10.9997 11.3238 11.3258 11.9264 11.9271 k = 0.3578 0.7026 0.2838 ( 3333 PWs) bands (ev): -47.5052 -47.5052 -22.4819 -22.4817 -19.5732 -19.5692 -19.4079 -19.4053 -19.3763 -19.3700 -17.8072 -17.8072 -7.8282 -7.8276 -4.6834 -4.6801 -4.4271 -4.4266 -4.1422 -4.1380 -0.0732 -0.0706 1.2287 1.2312 2.0061 2.0070 5.0926 5.0940 10.9774 10.9805 11.2699 11.2717 11.9059 11.9064 k = 0.3633 0.6979 0.2729 ( 3321 PWs) bands (ev): -47.5052 -47.5052 -22.4820 -22.4817 -19.5738 -19.5700 -19.4087 -19.4060 -19.3761 -19.3699 -17.8074 -17.8074 -7.8365 -7.8358 -4.6650 -4.6618 -4.4250 -4.4245 -4.1473 -4.1432 -0.0545 -0.0519 1.2347 1.2373 2.0048 2.0057 5.1197 5.1211 10.9555 10.9583 11.2152 11.2168 11.8859 11.8862 k = 0.3688 0.6932 0.2620 ( 3321 PWs) bands (ev): -47.5053 -47.5053 -22.4821 -22.4818 -19.5744 -19.5708 -19.4095 -19.4068 -19.3759 -19.3698 -17.8076 -17.8076 -7.8446 -7.8440 -4.6464 -4.6432 -4.4230 -4.4225 -4.1524 -4.1483 -0.0357 -0.0332 1.2406 1.2431 2.0033 2.0043 5.1469 5.1483 10.9309 10.9335 11.1596 11.1609 11.8666 11.8668 k = 0.3743 0.6885 0.2511 ( 3321 PWs) bands (ev): -47.5053 -47.5053 -22.4822 -22.4820 -19.5751 -19.5716 -19.4103 -19.4076 -19.3757 -19.3698 -17.8078 -17.8078 -7.8526 -7.8520 -4.6276 -4.6244 -4.4211 -4.4206 -4.1575 -4.1535 -0.0168 -0.0143 1.2462 1.2486 2.0018 2.0027 5.1743 5.1755 10.9042 10.9064 11.1035 11.1046 11.8478 11.8480 k = 0.3797 0.6838 0.2401 ( 3317 PWs) bands (ev): -47.5053 -47.5053 -22.4823 -22.4821 -19.5757 -19.5724 -19.4111 -19.4083 -19.3755 -19.3697 -17.8079 -17.8079 -7.8605 -7.8599 -4.6086 -4.6055 -4.4193 -4.4188 -4.1625 -4.1586 0.0020 0.0045 1.2515 1.2540 2.0002 2.0011 5.2016 5.2028 10.8753 10.8771 11.0474 11.0481 11.8002 11.8031 k = 0.3852 0.6791 0.2292 ( 3312 PWs) bands (ev): -47.5054 -47.5054 -22.4825 -22.4823 -19.5764 -19.5732 -19.4118 -19.4091 -19.3752 -19.3696 -17.8080 -17.8080 -7.8682 -7.8676 -4.5895 -4.5865 -4.4176 -4.4172 -4.1674 -4.1636 0.0208 0.0232 1.2567 1.2590 1.9985 1.9994 5.2287 5.2299 10.8444 10.8457 10.9919 10.9922 11.7403 11.7431 k = 0.3907 0.6744 0.2183 ( 3312 PWs) bands (ev): -47.5054 -47.5054 -22.4827 -22.4825 -19.5770 -19.5741 -19.4125 -19.4098 -19.3749 -19.3695 -17.8081 -17.8080 -7.8757 -7.8751 -4.5706 -4.5676 -4.4161 -4.4156 -4.1723 -4.1686 0.0393 0.0417 1.2615 1.2639 1.9968 1.9977 5.2555 5.2567 10.8110 10.8117 10.9378 10.9381 11.6822 11.6849 k = 0.3961 0.6697 0.2074 ( 3312 PWs) bands (ev): -47.5054 -47.5054 -22.4830 -22.4827 -19.5777 -19.5749 -19.4132 -19.4106 -19.3746 -19.3693 -17.8081 -17.8081 -7.8830 -7.8824 -4.5518 -4.5488 -4.4146 -4.4142 -4.1771 -4.1735 0.0577 0.0600 1.2662 1.2685 1.9950 1.9959 5.2820 5.2831 10.7743 10.7744 10.8865 10.8873 11.6262 11.6287 k = 0.4016 0.6650 0.1965 ( 3308 PWs) bands (ev): -47.5055 -47.5055 -22.4832 -22.4830 -19.5784 -19.5757 -19.4139 -19.4113 -19.3742 -19.3692 -17.8081 -17.8081 -7.8900 -7.8895 -4.5332 -4.5303 -4.4132 -4.4128 -4.1818 -4.1782 0.0757 0.0780 1.2706 1.2728 1.9932 1.9941 5.3081 5.3091 10.7330 10.7335 10.8398 10.8412 11.5722 11.5747 k = 0.4071 0.6602 0.1856 ( 3304 PWs) bands (ev): -47.5055 -47.5055 -22.4834 -22.4832 -19.5790 -19.5765 -19.4145 -19.4120 -19.3738 -19.3691 -17.8081 -17.8081 -7.8968 -7.8963 -4.5149 -4.5121 -4.4119 -4.4115 -4.1863 -4.1828 0.0933 0.0955 1.2747 1.2769 1.9914 1.9922 5.3335 5.3345 10.6874 10.6883 10.7986 10.8003 11.5206 11.5229 k = 0.4125 0.6555 0.1747 ( 3308 PWs) bands (ev): -47.5056 -47.5056 -22.4837 -22.4835 -19.5797 -19.5773 -19.4151 -19.4126 -19.3735 -19.3690 -17.8082 -17.8081 -7.9033 -7.9028 -4.4971 -4.4943 -4.4107 -4.4103 -4.1907 -4.1873 0.1104 0.1126 1.2786 1.2807 1.9896 1.9904 5.3583 5.3592 10.6385 10.6396 10.7625 10.7644 11.4712 11.4734 k = 0.4180 0.6508 0.1637 ( 3312 PWs) bands (ev): -47.5056 -47.5056 -22.4840 -22.4838 -19.5803 -19.5781 -19.4156 -19.4133 -19.3731 -19.3689 -17.8081 -17.8081 -7.9095 -7.9090 -4.4798 -4.4770 -4.4096 -4.4092 -4.1949 -4.1916 0.1270 0.1290 1.2823 1.2843 1.9878 1.9886 5.3822 5.3831 10.5881 10.5893 10.7304 10.7323 11.4243 11.4264 k = 0.4235 0.6461 0.1528 ( 3314 PWs) bands (ev): -47.5056 -47.5056 -22.4842 -22.4841 -19.5809 -19.5789 -19.4162 -19.4140 -19.3728 -19.3688 -17.8081 -17.8081 -7.9154 -7.9149 -4.4631 -4.4604 -4.4086 -4.4082 -4.1989 -4.1957 0.1429 0.1448 1.2857 1.2876 1.9860 1.9868 5.4052 5.4060 10.5375 10.5386 10.7014 10.7032 11.3800 11.3819 k = 0.4289 0.6414 0.1419 ( 3314 PWs) bands (ev): -47.5057 -47.5057 -22.4845 -22.4843 -19.5815 -19.5797 -19.4166 -19.4145 -19.3724 -19.3687 -17.8081 -17.8081 -7.9209 -7.9205 -4.4472 -4.4445 -4.4077 -4.4073 -4.2027 -4.1996 0.1581 0.1600 1.2889 1.2907 1.9843 1.9850 5.4272 5.4279 10.4879 10.4889 10.6749 10.6765 11.3382 11.3400 k = 0.4344 0.6367 0.1310 ( 3314 PWs) bands (ev): -47.5057 -47.5057 -22.4847 -22.4846 -19.5821 -19.5804 -19.4171 -19.4151 -19.3721 -19.3686 -17.8081 -17.8081 -7.9262 -7.9257 -4.4320 -4.4294 -4.4067 -4.4063 -4.2064 -4.2034 0.1725 0.1743 1.2918 1.2936 1.9827 1.9834 5.4480 5.4487 10.4400 10.4409 10.6504 10.6519 11.2992 11.3008 k = 0.4399 0.6320 0.1201 ( 3310 PWs) bands (ev): -47.5057 -47.5057 -22.4850 -22.4848 -19.5826 -19.5810 -19.4174 -19.4156 -19.3717 -19.3685 -17.8080 -17.8080 -7.9310 -7.9306 -4.4179 -4.4153 -4.4057 -4.4052 -4.2097 -4.2069 0.1861 0.1877 1.2945 1.2962 1.9812 1.9818 5.4677 5.4683 10.3944 10.3952 10.6279 10.6292 11.2630 11.2645 k = 0.4453 0.6273 0.1092 ( 3314 PWs) bands (ev): -47.5058 -47.5058 -22.4852 -22.4851 -19.5831 -19.5817 -19.4178 -19.4161 -19.3713 -19.3684 -17.8080 -17.8080 -7.9355 -7.9351 -4.4073 -4.4062 -4.4018 -4.4007 -4.2129 -4.2101 0.1987 0.2002 1.2970 1.2985 1.9797 1.9802 5.4860 5.4866 10.3516 10.3523 10.6072 10.6084 11.2297 11.2310 k = 0.4508 0.6225 0.0982 ( 3306 PWs) bands (ev): -47.5058 -47.5058 -22.4854 -22.4853 -19.5835 -19.5822 -19.4181 -19.4165 -19.3710 -19.3683 -17.8079 -17.8079 -7.9395 -7.9392 -4.4050 -4.4050 -4.3909 -4.3889 -4.2158 -4.2131 0.2104 0.2118 1.2992 1.3006 1.9783 1.9788 5.5029 5.5034 10.3119 10.3125 10.5884 10.5894 11.1993 11.2005 k = 0.4563 0.6178 0.0873 ( 3302 PWs) bands (ev): -47.5058 -47.5058 -22.4856 -22.4855 -19.5838 -19.5827 -19.4183 -19.4169 -19.3706 -19.3683 -17.8079 -17.8079 -7.9432 -7.9429 -4.4043 -4.4043 -4.3798 -4.3778 -4.2184 -4.2159 0.2210 0.2223 1.3012 1.3025 1.9771 1.9775 5.5183 5.5187 10.2757 10.2762 10.5715 10.5724 11.1719 11.1729 k = 0.4617 0.6131 0.0764 ( 3302 PWs) bands (ev): -47.5058 -47.5058 -22.4858 -22.4857 -19.5842 -19.5832 -19.4185 -19.4173 -19.3703 -19.3683 -17.8078 -17.8078 -7.9465 -7.9462 -4.4038 -4.4037 -4.3696 -4.3677 -4.2207 -4.2184 0.2305 0.2316 1.3030 1.3041 1.9760 1.9764 5.5320 5.5324 10.2431 10.2436 10.5564 10.5572 11.1476 11.1485 k = 0.4672 0.6084 0.0655 ( 3302 PWs) bands (ev): -47.5058 -47.5058 -22.4860 -22.4859 -19.5845 -19.5837 -19.4187 -19.4177 -19.3700 -19.3682 -17.8078 -17.8078 -7.9493 -7.9491 -4.4033 -4.4033 -4.3606 -4.3588 -4.2228 -4.2207 0.2388 0.2398 1.3045 1.3055 1.9750 1.9753 5.5441 5.5445 10.2145 10.2149 10.5433 10.5439 11.1264 11.1272 k = 0.4727 0.6037 0.0546 ( 3302 PWs) bands (ev): -47.5059 -47.5059 -22.4861 -22.4860 -19.5848 -19.5841 -19.4188 -19.4180 -19.3697 -19.3683 -17.8078 -17.8078 -7.9518 -7.9516 -4.4030 -4.4029 -4.3529 -4.3513 -4.2245 -4.2227 0.2460 0.2468 1.3058 1.3066 1.9741 1.9744 5.5545 5.5548 10.1900 10.1903 10.5321 10.5326 11.1084 11.1091 k = 0.4781 0.5990 0.0437 ( 3306 PWs) bands (ev): -47.5059 -47.5059 -22.4862 -22.4862 -19.5850 -19.5844 -19.4190 -19.4183 -19.3695 -19.3683 -17.8077 -17.8077 -7.9538 -7.9536 -4.4027 -4.4026 -4.3464 -4.3451 -4.2259 -4.2244 0.2519 0.2526 1.3069 1.3075 1.9734 1.9737 5.5631 5.5633 10.1698 10.1700 10.5229 10.5234 11.0936 11.0942 k = 0.4836 0.5943 0.0327 ( 3302 PWs) bands (ev): -47.5059 -47.5059 -22.4863 -22.4863 -19.5851 -19.5847 -19.4190 -19.4185 -19.3693 -19.3684 -17.8077 -17.8077 -7.9553 -7.9552 -4.4024 -4.4024 -4.3413 -4.3402 -4.2270 -4.2258 0.2566 0.2571 1.3078 1.3083 1.9729 1.9731 5.5698 5.5700 10.1539 10.1541 10.5158 10.5161 11.0821 11.0825 k = 0.4891 0.5896 0.0218 ( 3302 PWs) bands (ev): -47.5059 -47.5059 -22.4864 -22.4863 -19.5852 -19.5849 -19.4190 -19.4187 -19.3690 -19.3685 -17.8077 -17.8077 -7.9564 -7.9563 -4.4022 -4.4022 -4.3375 -4.3368 -4.2276 -4.2268 0.2599 0.2603 1.3084 1.3087 1.9725 1.9727 5.5746 5.5748 10.1425 10.1426 10.5107 10.5109 11.0739 11.0742 k = 0.4945 0.5848 0.0109 ( 3304 PWs) bands (ev): -47.5059 -47.5059 -22.4864 -22.4864 -19.5852 -19.5851 -19.4190 -19.4188 -19.3689 -19.3686 -17.8077 -17.8077 -7.9571 -7.9570 -4.4021 -4.4021 -4.3352 -4.3348 -4.2280 -4.2276 0.2620 0.2622 1.3088 1.3090 1.9723 1.9724 5.5776 5.5776 10.1357 10.1357 10.5076 10.5077 11.0690 11.0691 k = 0.5000 0.5801 0.0000 ( 3300 PWs) bands (ev): -47.5059 -47.5059 -22.4864 -22.4864 -19.5852 -19.5852 -19.4189 -19.4189 -19.3687 -19.3687 -17.8077 -17.8077 -7.9573 -7.9573 -4.4021 -4.4021 -4.3343 -4.3343 -4.2280 -4.2280 0.2628 0.2628 1.3090 1.3090 1.9723 1.9723 5.5786 5.5786 10.1334 10.1334 10.5066 10.5066 11.0674 11.0674 k = 0.5000 0.5801 0.0000 ( 3300 PWs) bands (ev): -47.5059 -47.5059 -22.4864 -22.4864 -19.5852 -19.5852 -19.4189 -19.4189 -19.3687 -19.3687 -17.8077 -17.8077 -7.9573 -7.9573 -4.4021 -4.4021 -4.3343 -4.3343 -4.2280 -4.2280 0.2628 0.2628 1.3090 1.3090 1.9723 1.9723 5.5786 5.5786 10.1334 10.1334 10.5066 10.5066 11.0674 11.0674 k = 0.4912 0.5700 0.0000 ( 3302 PWs) bands (ev): -47.5059 -47.5059 -22.4865 -22.4865 -19.5851 -19.5851 -19.4189 -19.4189 -19.3687 -19.3687 -17.8076 -17.8076 -7.9571 -7.9571 -4.4023 -4.4023 -4.3341 -4.3341 -4.2280 -4.2280 0.2625 0.2625 1.3086 1.3086 1.9722 1.9722 5.5782 5.5782 10.1272 10.1272 10.5085 10.5085 11.0692 11.0692 k = 0.4825 0.5598 0.0000 ( 3306 PWs) bands (ev): -47.5059 -47.5059 -22.4867 -22.4867 -19.5851 -19.5851 -19.4188 -19.4188 -19.3686 -19.3686 -17.8075 -17.8075 -7.9567 -7.9567 -4.4029 -4.4029 -4.3336 -4.3336 -4.2280 -4.2280 0.2619 0.2619 1.3074 1.3074 1.9720 1.9720 5.5772 5.5772 10.1092 10.1092 10.5137 10.5137 11.0748 11.0748 k = 0.4737 0.5496 0.0000 ( 3310 PWs) bands (ev): -47.5059 -47.5059 -22.4871 -22.4871 -19.5849 -19.5849 -19.4187 -19.4187 -19.3685 -19.3685 -17.8073 -17.8073 -7.9560 -7.9560 -4.4040 -4.4040 -4.3327 -4.3327 -4.2280 -4.2280 0.2608 0.2608 1.3053 1.3053 1.9717 1.9717 5.5754 5.5754 10.0806 10.0806 10.5218 10.5218 11.0841 11.0841 k = 0.4649 0.5394 0.0000 ( 3306 PWs) bands (ev): -47.5059 -47.5059 -22.4876 -22.4876 -19.5847 -19.5847 -19.4184 -19.4184 -19.3683 -19.3683 -17.8070 -17.8070 -7.9550 -7.9550 -4.4054 -4.4054 -4.3315 -4.3315 -4.2280 -4.2280 0.2592 0.2592 1.3025 1.3025 1.9713 1.9713 5.5730 5.5730 10.0432 10.0432 10.5320 10.5320 11.0971 11.0971 k = 0.4561 0.5292 0.0000 ( 3308 PWs) bands (ev): -47.5059 -47.5059 -22.4882 -22.4882 -19.5844 -19.5844 -19.4181 -19.4181 -19.3681 -19.3681 -17.8066 -17.8066 -7.9537 -7.9537 -4.4073 -4.4073 -4.3300 -4.3300 -4.2281 -4.2281 0.2572 0.2572 1.2989 1.2989 1.9707 1.9707 5.5700 5.5700 9.9987 9.9987 10.5440 10.5440 11.1137 11.1137 k = 0.4474 0.5191 0.0000 ( 3312 PWs) bands (ev): -47.5059 -47.5059 -22.4890 -22.4890 -19.5840 -19.5840 -19.4178 -19.4178 -19.3678 -19.3678 -17.8062 -17.8062 -7.9521 -7.9521 -4.4096 -4.4096 -4.3281 -4.3281 -4.2282 -4.2282 0.2548 0.2548 1.2945 1.2945 1.9700 1.9700 5.5662 5.5662 9.9485 9.9485 10.5574 10.5574 11.1340 11.1340 k = 0.4386 0.5089 0.0000 ( 3312 PWs) bands (ev): -47.5059 -47.5059 -22.4899 -22.4899 -19.5836 -19.5836 -19.4174 -19.4174 -19.3675 -19.3675 -17.8056 -17.8056 -7.9502 -7.9502 -4.4123 -4.4123 -4.3259 -4.3259 -4.2283 -4.2283 0.2520 0.2520 1.2894 1.2894 1.9691 1.9691 5.5618 5.5618 9.8941 9.8941 10.5721 10.5721 11.1580 11.1580 k = 0.4298 0.4987 0.0000 ( 3320 PWs) bands (ev): -47.5059 -47.5059 -22.4910 -22.4910 -19.5832 -19.5832 -19.4170 -19.4170 -19.3672 -19.3672 -17.8050 -17.8050 -7.9480 -7.9480 -4.4153 -4.4153 -4.3233 -4.3233 -4.2284 -4.2284 0.2488 0.2488 1.2835 1.2835 1.9680 1.9680 5.5568 5.5568 9.8364 9.8364 10.5883 10.5883 11.1856 11.1856 k = 0.4211 0.4885 0.0000 ( 3312 PWs) bands (ev): -47.5059 -47.5059 -22.4921 -22.4921 -19.5826 -19.5826 -19.4165 -19.4165 -19.3667 -19.3667 -17.8042 -17.8042 -7.9455 -7.9455 -4.4188 -4.4188 -4.3204 -4.3204 -4.2285 -4.2285 0.2452 0.2452 1.2769 1.2769 1.9668 1.9668 5.5512 5.5512 9.7764 9.7764 10.6058 10.6058 11.2167 11.2167 k = 0.4123 0.4784 0.0000 ( 3312 PWs) bands (ev): -47.5059 -47.5059 -22.4934 -22.4934 -19.5820 -19.5820 -19.4159 -19.4159 -19.3663 -19.3663 -17.8034 -17.8034 -7.9426 -7.9426 -4.4226 -4.4226 -4.3173 -4.3173 -4.2287 -4.2287 0.2412 0.2412 1.2696 1.2696 1.9653 1.9653 5.5449 5.5449 9.7147 9.7147 10.6248 10.6248 11.2515 11.2515 k = 0.4035 0.4682 0.0000 ( 3312 PWs) bands (ev): -47.5059 -47.5059 -22.4948 -22.4948 -19.5814 -19.5814 -19.4153 -19.4153 -19.3659 -19.3659 -17.8026 -17.8026 -7.9394 -7.9394 -4.4268 -4.4268 -4.3138 -4.3138 -4.2289 -4.2289 0.2368 0.2368 1.2616 1.2616 1.9635 1.9635 5.5380 5.5380 9.6521 9.6521 10.6453 10.6453 11.2897 11.2897 k = 0.3947 0.4580 0.0000 ( 3308 PWs) bands (ev): -47.5059 -47.5059 -22.4963 -22.4963 -19.5807 -19.5807 -19.4147 -19.4147 -19.3653 -19.3653 -17.8016 -17.8016 -7.9359 -7.9359 -4.4313 -4.4313 -4.3100 -4.3100 -4.2291 -4.2291 0.2321 0.2321 1.2530 1.2530 1.9615 1.9615 5.5307 5.5307 9.5888 9.5888 10.6676 10.6676 11.3315 11.3315 k = 0.3860 0.4478 0.0000 ( 3312 PWs) bands (ev): -47.5060 -47.5060 -22.4979 -22.4979 -19.5800 -19.5800 -19.4140 -19.4140 -19.3648 -19.3648 -17.8006 -17.8006 -7.9320 -7.9320 -4.4362 -4.4362 -4.3060 -4.3060 -4.2294 -4.2294 0.2270 0.2270 1.2438 1.2438 1.9592 1.9592 5.5227 5.5227 9.5254 9.5254 10.6915 10.6915 11.3766 11.3766 k = 0.3772 0.4376 0.0000 ( 3310 PWs) bands (ev): -47.5060 -47.5060 -22.4995 -22.4995 -19.5793 -19.5793 -19.4133 -19.4133 -19.3643 -19.3643 -17.7995 -17.7995 -7.9278 -7.9278 -4.4414 -4.4414 -4.3016 -4.3016 -4.2298 -4.2298 0.2216 0.2216 1.2340 1.2340 1.9566 1.9566 5.5143 5.5143 9.4622 9.4622 10.7172 10.7172 11.4252 11.4252 k = 0.3684 0.4275 0.0000 ( 3306 PWs) bands (ev): -47.5060 -47.5060 -22.5013 -22.5013 -19.5785 -19.5785 -19.4126 -19.4126 -19.3637 -19.3637 -17.7983 -17.7983 -7.9233 -7.9233 -4.4469 -4.4469 -4.2970 -4.2970 -4.2301 -4.2301 0.2159 0.2159 1.2237 1.2237 1.9537 1.9537 5.5053 5.5053 9.3994 9.3994 10.7448 10.7448 11.4771 11.4771 k = 0.3596 0.4173 0.0000 ( 3306 PWs) bands (ev): -47.5060 -47.5060 -22.5031 -22.5031 -19.5777 -19.5777 -19.4118 -19.4118 -19.3632 -19.3632 -17.7970 -17.7970 -7.9183 -7.9183 -4.4527 -4.4527 -4.2922 -4.2922 -4.2305 -4.2305 0.2099 0.2099 1.2129 1.2129 1.9503 1.9503 5.4959 5.4959 9.3373 9.3373 10.7742 10.7742 11.5323 11.5323 k = 0.3509 0.4071 0.0000 ( 3302 PWs) bands (ev): -47.5060 -47.5060 -22.5049 -22.5049 -19.5768 -19.5768 -19.4111 -19.4111 -19.3626 -19.3626 -17.7957 -17.7957 -7.9130 -7.9130 -4.4587 -4.4587 -4.2872 -4.2872 -4.2310 -4.2310 0.2037 0.2037 1.2016 1.2016 1.9467 1.9467 5.4861 5.4861 9.2760 9.2760 10.8056 10.8056 11.5908 11.5908 k = 0.3421 0.3969 0.0000 ( 3302 PWs) bands (ev): -47.5060 -47.5060 -22.5068 -22.5068 -19.5760 -19.5760 -19.4103 -19.4103 -19.3621 -19.3621 -17.7943 -17.7943 -7.9074 -7.9074 -4.4650 -4.4650 -4.2819 -4.2819 -4.2316 -4.2316 0.1972 0.1972 1.1899 1.1899 1.9426 1.9426 5.4758 5.4758 9.2158 9.2158 10.8390 10.8390 11.6524 11.6524 k = 0.3333 0.3868 0.0000 ( 3310 PWs) bands (ev): -47.5060 -47.5060 -22.5088 -22.5088 -19.5752 -19.5752 -19.4096 -19.4096 -19.3616 -19.3616 -17.7929 -17.7929 -7.9014 -7.9014 -4.4716 -4.4716 -4.2765 -4.2765 -4.2322 -4.2322 0.1904 0.1904 1.1778 1.1778 1.9380 1.9380 5.4652 5.4652 9.1568 9.1568 10.8743 10.8743 11.7171 11.7171 k = 0.3246 0.3766 0.0000 ( 3310 PWs) bands (ev): -47.5060 -47.5060 -22.5108 -22.5108 -19.5743 -19.5743 -19.4088 -19.4088 -19.3611 -19.3611 -17.7914 -17.7914 -7.8950 -7.8950 -4.4784 -4.4784 -4.2709 -4.2709 -4.2328 -4.2328 0.1835 0.1835 1.1653 1.1653 1.9330 1.9330 5.4543 5.4543 9.0991 9.0991 10.9116 10.9116 11.7849 11.7849 k = 0.3158 0.3664 0.0000 ( 3316 PWs) bands (ev): -47.5060 -47.5060 -22.5128 -22.5128 -19.5735 -19.5735 -19.4080 -19.4080 -19.3606 -19.3606 -17.7898 -17.7898 -7.8883 -7.8883 -4.4854 -4.4854 -4.2651 -4.2651 -4.2334 -4.2334 0.1763 0.1763 1.1526 1.1526 1.9275 1.9275 5.4431 5.4431 9.0428 9.0428 10.9509 10.9509 11.8556 11.8556 k = 0.3070 0.3562 0.0000 ( 3326 PWs) bands (ev): -47.5061 -47.5061 -22.5149 -22.5149 -19.5727 -19.5727 -19.4073 -19.4073 -19.3602 -19.3602 -17.7882 -17.7882 -7.8812 -7.8812 -4.4926 -4.4926 -4.2593 -4.2593 -4.2340 -4.2340 0.1690 0.1690 1.1396 1.1396 1.9216 1.9216 5.4315 5.4315 8.9880 8.9880 10.9922 10.9922 11.9293 11.9293 k = 0.2982 0.3460 0.0000 ( 3332 PWs) bands (ev): -47.5061 -47.5061 -22.5169 -22.5169 -19.5718 -19.5718 -19.4065 -19.4065 -19.3598 -19.3598 -17.7866 -17.7866 -7.8737 -7.8737 -4.4998 -4.4998 -4.2536 -4.2536 -4.2345 -4.2345 0.1616 0.1616 1.1264 1.1264 1.9151 1.9151 5.4198 5.4198 8.9348 8.9348 11.0355 11.0355 12.0058 12.0058 k = 0.2895 0.3359 0.0000 ( 3336 PWs) bands (ev): -47.5061 -47.5061 -22.5189 -22.5189 -19.5710 -19.5710 -19.4057 -19.4057 -19.3594 -19.3594 -17.7849 -17.7849 -7.8660 -7.8660 -4.5073 -4.5073 -4.2482 -4.2482 -4.2346 -4.2346 0.1541 0.1541 1.1130 1.1130 1.9082 1.9082 5.4078 5.4078 8.8832 8.8832 11.0808 11.0808 12.0850 12.0850 k = 0.2807 0.3257 0.0000 ( 3336 PWs) bands (ev): -47.5061 -47.5061 -22.5209 -22.5209 -19.5701 -19.5701 -19.4049 -19.4049 -19.3590 -19.3590 -17.7831 -17.7831 -7.8579 -7.8579 -4.5148 -4.5148 -4.2442 -4.2442 -4.2333 -4.2333 0.1464 0.1464 1.0994 1.0994 1.9008 1.9008 5.3957 5.3957 8.8334 8.8334 11.1281 11.1281 12.1669 12.1669 k = 0.2719 0.3155 0.0000 ( 3336 PWs) bands (ev): -47.5061 -47.5061 -22.5230 -22.5230 -19.5693 -19.5693 -19.4042 -19.4042 -19.3587 -19.3587 -17.7814 -17.7814 -7.8495 -7.8495 -4.5225 -4.5225 -4.2425 -4.2425 -4.2296 -4.2296 0.1387 0.1387 1.0858 1.0858 1.8930 1.8930 5.3835 5.3835 8.7853 8.7853 11.1772 11.1772 12.2513 12.2513 k = 0.2632 0.3053 0.0000 ( 3328 PWs) bands (ev): -47.5061 -47.5061 -22.5249 -22.5249 -19.5685 -19.5685 -19.4034 -19.4034 -19.3584 -19.3584 -17.7795 -17.7795 -7.8408 -7.8408 -4.5302 -4.5302 -4.2425 -4.2425 -4.2242 -4.2242 0.1310 0.1310 1.0722 1.0722 1.8847 1.8847 5.3712 5.3712 8.7390 8.7390 11.2283 11.2283 12.3383 12.3383 k = 0.2544 0.2952 0.0000 ( 3324 PWs) bands (ev): -47.5061 -47.5061 -22.5269 -22.5269 -19.5677 -19.5677 -19.4026 -19.4026 -19.3582 -19.3582 -17.7777 -17.7777 -7.8318 -7.8318 -4.5379 -4.5379 -4.2432 -4.2432 -4.2181 -4.2181 0.1232 0.1232 1.0586 1.0586 1.8759 1.8759 5.3589 5.3589 8.6946 8.6946 11.2812 11.2812 12.4276 12.4276 k = 0.2456 0.2850 0.0000 ( 3328 PWs) bands (ev): -47.5062 -47.5062 -22.5288 -22.5288 -19.5669 -19.5669 -19.4019 -19.4019 -19.3580 -19.3580 -17.7759 -17.7759 -7.8226 -7.8226 -4.5457 -4.5457 -4.2442 -4.2442 -4.2117 -4.2117 0.1154 0.1154 1.0449 1.0449 1.8667 1.8667 5.3465 5.3465 8.6519 8.6519 11.3358 11.3358 12.5192 12.5192 k = 0.2368 0.2748 0.0000 ( 3336 PWs) bands (ev): -47.5062 -47.5062 -22.5307 -22.5307 -19.5662 -19.5662 -19.4012 -19.4012 -19.3580 -19.3580 -17.7740 -17.7740 -7.8132 -7.8132 -4.5535 -4.5535 -4.2454 -4.2454 -4.2052 -4.2052 0.1077 0.1077 1.0314 1.0314 1.8570 1.8570 5.3341 5.3341 8.6112 8.6112 11.3922 11.3922 12.6129 12.6129 k = 0.2281 0.2646 0.0000 ( 3338 PWs) bands (ev): -47.5062 -47.5062 -22.5325 -22.5325 -19.5655 -19.5655 -19.4005 -19.4005 -19.3579 -19.3579 -17.7722 -17.7722 -7.8036 -7.8036 -4.5612 -4.5612 -4.2467 -4.2467 -4.1986 -4.1986 0.1000 0.1000 1.0179 1.0179 1.8470 1.8470 5.3218 5.3218 8.5723 8.5723 11.4502 11.4502 12.7087 12.7087 k = 0.2193 0.2544 0.0000 ( 3346 PWs) bands (ev): -47.5062 -47.5062 -22.5343 -22.5343 -19.5649 -19.5649 -19.3998 -19.3998 -19.3579 -19.3579 -17.7703 -17.7703 -7.7938 -7.7938 -4.5689 -4.5689 -4.2481 -4.2481 -4.1921 -4.1921 0.0924 0.0924 1.0046 1.0046 1.8366 1.8366 5.3096 5.3096 8.5354 8.5354 11.5097 11.5097 12.8064 12.8064 k = 0.2105 0.2443 0.0000 ( 3350 PWs) bands (ev): -47.5062 -47.5062 -22.5360 -22.5360 -19.5643 -19.5643 -19.3992 -19.3992 -19.3579 -19.3579 -17.7684 -17.7684 -7.7840 -7.7840 -4.5765 -4.5765 -4.2496 -4.2496 -4.1856 -4.1856 0.0848 0.0848 0.9916 0.9916 1.8260 1.8260 5.2976 5.2976 8.5003 8.5003 11.5706 11.5706 12.9058 12.9058 k = 0.2018 0.2341 0.0000 ( 3352 PWs) bands (ev): -47.5063 -47.5063 -22.5376 -22.5376 -19.5637 -19.5637 -19.3986 -19.3986 -19.3580 -19.3580 -17.7666 -17.7666 -7.7740 -7.7740 -4.5841 -4.5841 -4.2510 -4.2510 -4.1791 -4.1791 0.0774 0.0774 0.9787 0.9787 1.8151 1.8151 5.2857 5.2857 8.4670 8.4670 11.6329 11.6329 13.0069 13.0069 k = 0.1930 0.2239 0.0000 ( 3348 PWs) bands (ev): -47.5063 -47.5063 -22.5392 -22.5392 -19.5631 -19.5631 -19.3979 -19.3979 -19.3581 -19.3581 -17.7647 -17.7647 -7.7640 -7.7640 -4.5914 -4.5914 -4.2525 -4.2525 -4.1727 -4.1727 0.0701 0.0701 0.9662 0.9662 1.8040 1.8040 5.2740 5.2740 8.4357 8.4357 11.6964 11.6964 13.1094 13.1094 k = 0.1842 0.2137 0.0000 ( 3352 PWs) bands (ev): -47.5063 -47.5063 -22.5408 -22.5408 -19.5626 -19.5626 -19.3973 -19.3973 -19.3583 -19.3583 -17.7629 -17.7629 -7.7540 -7.7540 -4.5987 -4.5987 -4.2541 -4.2541 -4.1664 -4.1664 0.0630 0.0630 0.9539 0.9539 1.7927 1.7927 5.2626 5.2626 8.4061 8.4061 11.7609 11.7609 13.2131 13.2131 k = 0.1754 0.2036 0.0000 ( 3348 PWs) bands (ev): -47.5063 -47.5063 -22.5422 -22.5422 -19.5621 -19.5621 -19.3967 -19.3967 -19.3584 -19.3584 -17.7612 -17.7612 -7.7441 -7.7441 -4.6058 -4.6058 -4.2556 -4.2556 -4.1602 -4.1602 0.0561 0.0561 0.9419 0.9419 1.7813 1.7813 5.2515 5.2515 8.3784 8.3784 11.8264 11.8264 13.3179 13.3179 k = 0.1667 0.1934 0.0000 ( 3346 PWs) bands (ev): -47.5063 -47.5063 -22.5436 -22.5436 -19.5616 -19.5616 -19.3961 -19.3961 -19.3586 -19.3586 -17.7594 -17.7594 -7.7342 -7.7342 -4.6127 -4.6127 -4.2572 -4.2572 -4.1542 -4.1542 0.0494 0.0494 0.9304 0.9304 1.7699 1.7699 5.2406 5.2406 8.3524 8.3524 11.8926 11.8926 13.4235 13.4235 k = 0.1579 0.1832 0.0000 ( 3346 PWs) bands (ev): -47.5063 -47.5063 -22.5449 -22.5449 -19.5612 -19.5612 -19.3956 -19.3956 -19.3589 -19.3589 -17.7577 -17.7577 -7.7245 -7.7245 -4.6194 -4.6194 -4.2587 -4.2587 -4.1483 -4.1483 0.0429 0.0429 0.9192 0.9192 1.7585 1.7585 5.2301 5.2301 8.3281 8.3281 11.9594 11.9594 13.5296 13.5296 k = 0.1491 0.1730 0.0000 ( 3341 PWs) bands (ev): -47.5063 -47.5063 -22.5462 -22.5462 -19.5608 -19.5608 -19.3951 -19.3951 -19.3591 -19.3591 -17.7561 -17.7561 -7.7149 -7.7149 -4.6259 -4.6259 -4.2602 -4.2602 -4.1427 -4.1427 0.0366 0.0366 0.9085 0.9085 1.7472 1.7472 5.2200 5.2200 8.3056 8.3056 12.0265 12.0265 13.6359 13.6359 k = 0.1404 0.1628 0.0000 ( 3345 PWs) bands (ev): -47.5063 -47.5063 -22.5473 -22.5473 -19.5605 -19.5605 -19.3946 -19.3946 -19.3594 -19.3594 -17.7545 -17.7545 -7.7056 -7.7056 -4.6321 -4.6321 -4.2616 -4.2616 -4.1372 -4.1372 0.0306 0.0306 0.8982 0.8982 1.7361 1.7361 5.2102 5.2102 8.2846 8.2846 12.0938 12.0938 13.7420 13.7420 k = 0.1316 0.1527 0.0000 ( 3349 PWs) bands (ev): -47.5063 -47.5063 -22.5484 -22.5484 -19.5602 -19.5602 -19.3942 -19.3942 -19.3598 -19.3598 -17.7529 -17.7529 -7.6965 -7.6965 -4.6380 -4.6380 -4.2631 -4.2631 -4.1320 -4.1320 0.0249 0.0249 0.8884 0.8884 1.7251 1.7251 5.2009 5.2009 8.2653 8.2653 12.1609 12.1609 13.8474 13.8474 k = 0.1228 0.1425 0.0000 ( 3351 PWs) bands (ev): -47.5064 -47.5064 -22.5495 -22.5495 -19.5599 -19.5599 -19.3938 -19.3938 -19.3601 -19.3601 -17.7515 -17.7515 -7.6878 -7.6878 -4.6437 -4.6437 -4.2644 -4.2644 -4.1270 -4.1270 0.0195 0.0195 0.8791 0.8791 1.7145 1.7145 5.1921 5.1921 8.2476 8.2476 12.2276 12.2276 13.9516 13.9516 k = 0.1140 0.1323 0.0000 ( 3343 PWs) bands (ev): -47.5064 -47.5064 -22.5504 -22.5504 -19.5596 -19.5596 -19.3934 -19.3934 -19.3603 -19.3603 -17.7501 -17.7501 -7.6794 -7.6794 -4.6490 -4.6490 -4.2658 -4.2658 -4.1223 -4.1223 0.0144 0.0144 0.8704 0.8704 1.7042 1.7042 5.1838 5.1838 8.2313 8.2313 12.2935 12.2935 14.0538 14.0538 k = 0.1053 0.1221 0.0000 ( 3341 PWs) bands (ev): -47.5064 -47.5064 -22.5513 -22.5513 -19.5594 -19.5594 -19.3930 -19.3930 -19.3606 -19.3606 -17.7487 -17.7487 -7.6715 -7.6715 -4.6541 -4.6541 -4.2670 -4.2670 -4.1179 -4.1179 0.0096 0.0096 0.8622 0.8622 1.6945 1.6945 5.1759 5.1759 8.2165 8.2165 12.3584 12.3584 14.1530 14.1530 k = 0.0965 0.1120 0.0000 ( 3337 PWs) bands (ev): -47.5064 -47.5064 -22.5521 -22.5521 -19.5591 -19.5591 -19.3926 -19.3926 -19.3609 -19.3609 -17.7475 -17.7475 -7.6640 -7.6640 -4.6587 -4.6587 -4.2682 -4.2682 -4.1138 -4.1138 0.0051 0.0051 0.8546 0.8546 1.6852 1.6852 5.1686 5.1686 8.2032 8.2032 12.4217 12.4217 14.2480 14.2480 k = 0.0877 0.1018 0.0000 ( 3337 PWs) bands (ev): -47.5064 -47.5064 -22.5528 -22.5528 -19.5590 -19.5590 -19.3923 -19.3923 -19.3612 -19.3612 -17.7464 -17.7464 -7.6569 -7.6569 -4.6631 -4.6631 -4.2693 -4.2693 -4.1099 -4.1099 0.0010 0.0010 0.8476 0.8476 1.6764 1.6764 5.1619 5.1619 8.1911 8.1911 12.4831 12.4831 14.2781 14.2781 k = 0.0789 0.0916 0.0000 ( 3341 PWs) bands (ev): -47.5064 -47.5064 -22.5535 -22.5535 -19.5588 -19.5588 -19.3921 -19.3921 -19.3615 -19.3615 -17.7453 -17.7453 -7.6505 -7.6505 -4.6670 -4.6670 -4.2704 -4.2704 -4.1064 -4.1064 -0.0028 -0.0028 0.8412 0.8412 1.6683 1.6683 5.1557 5.1557 8.1804 8.1804 12.5418 12.5418 14.2678 14.2678 k = 0.0702 0.0814 0.0000 ( 3337 PWs) bands (ev): -47.5064 -47.5064 -22.5541 -22.5541 -19.5587 -19.5587 -19.3918 -19.3918 -19.3617 -19.3617 -17.7444 -17.7444 -7.6446 -7.6446 -4.6706 -4.6706 -4.2713 -4.2713 -4.1033 -4.1033 -0.0062 -0.0062 0.8354 0.8354 1.6608 1.6608 5.1501 5.1501 8.1709 8.1709 12.5975 12.5975 14.2558 14.2558 k = 0.0614 0.0712 0.0000 ( 3339 PWs) bands (ev): -47.5064 -47.5064 -22.5546 -22.5546 -19.5586 -19.5586 -19.3916 -19.3916 -19.3620 -19.3620 -17.7435 -17.7435 -7.6393 -7.6393 -4.6738 -4.6738 -4.2721 -4.2721 -4.1004 -4.1004 -0.0093 -0.0093 0.8303 0.8303 1.6542 1.6542 5.1452 5.1452 8.1627 8.1627 12.6494 12.6494 14.2428 14.2428 k = 0.0526 0.0611 0.0000 ( 3335 PWs) bands (ev): -47.5064 -47.5064 -22.5550 -22.5550 -19.5585 -19.5585 -19.3914 -19.3914 -19.3622 -19.3622 -17.7428 -17.7428 -7.6346 -7.6346 -4.6766 -4.6766 -4.2729 -4.2729 -4.0980 -4.0980 -0.0119 -0.0119 0.8258 0.8258 1.6483 1.6483 5.1409 5.1409 8.1556 8.1556 12.6968 12.6968 14.2294 14.2294 k = 0.0439 0.0509 0.0000 ( 3335 PWs) bands (ev): -47.5064 -47.5064 -22.5554 -22.5554 -19.5584 -19.5584 -19.3913 -19.3913 -19.3624 -19.3624 -17.7421 -17.7421 -7.6306 -7.6306 -4.6790 -4.6790 -4.2735 -4.2735 -4.0959 -4.0959 -0.0141 -0.0141 0.8220 0.8220 1.6432 1.6432 5.1372 5.1372 8.1497 8.1497 12.7388 12.7388 14.2163 14.2163 k = 0.0351 0.0407 0.0000 ( 3335 PWs) bands (ev): -47.5064 -47.5064 -22.5557 -22.5557 -19.5584 -19.5584 -19.3912 -19.3912 -19.3625 -19.3625 -17.7416 -17.7416 -7.6273 -7.6273 -4.6809 -4.6809 -4.2740 -4.2740 -4.0941 -4.0941 -0.0160 -0.0160 0.8189 0.8189 1.6390 1.6390 5.1342 5.1342 8.1449 8.1449 12.7748 12.7748 14.2043 14.2043 k = 0.0263 0.0305 0.0000 ( 3335 PWs) bands (ev): -47.5064 -47.5064 -22.5559 -22.5559 -19.5583 -19.5583 -19.3911 -19.3911 -19.3626 -19.3626 -17.7412 -17.7412 -7.6247 -7.6247 -4.6824 -4.6824 -4.2745 -4.2745 -4.0928 -4.0928 -0.0174 -0.0174 0.8165 0.8165 1.6357 1.6357 5.1318 5.1318 8.1412 8.1412 12.8038 12.8038 14.1939 14.1939 k = 0.0175 0.0204 0.0000 ( 3331 PWs) bands (ev): -47.5064 -47.5064 -22.5561 -22.5561 -19.5583 -19.5583 -19.3910 -19.3910 -19.3627 -19.3627 -17.7409 -17.7409 -7.6229 -7.6229 -4.6835 -4.6835 -4.2747 -4.2747 -4.0918 -4.0918 -0.0184 -0.0184 0.8148 0.8148 1.6333 1.6333 5.1301 5.1301 8.1386 8.1386 12.8251 12.8251 14.1859 14.1859 k = 0.0088 0.0102 0.0000 ( 3327 PWs) bands (ev): -47.5064 -47.5064 -22.5562 -22.5562 -19.5582 -19.5582 -19.3909 -19.3909 -19.3627 -19.3627 -17.7407 -17.7407 -7.6217 -7.6217 -4.6842 -4.6842 -4.2749 -4.2749 -4.0912 -4.0912 -0.0190 -0.0190 0.8137 0.8137 1.6318 1.6318 5.1291 5.1291 8.1370 8.1370 12.8382 12.8382 14.1809 14.1809 k = 0.0000 0.0000 0.0000 ( 3325 PWs) bands (ev): -47.5064 -47.5064 -22.5562 -22.5562 -19.5582 -19.5582 -19.3909 -19.3909 -19.3627 -19.3627 -17.7407 -17.7407 -7.6214 -7.6214 -4.6844 -4.6844 -4.2750 -4.2750 -4.0910 -4.0910 -0.0193 -0.0193 0.8134 0.8134 1.6314 1.6314 5.1287 5.1287 8.1365 8.1365 12.8426 12.8426 14.1792 14.1792 k = 0.0000 0.0000 0.0000 ( 3325 PWs) bands (ev): -47.5064 -47.5064 -22.5562 -22.5562 -19.5582 -19.5582 -19.3909 -19.3909 -19.3627 -19.3627 -17.7407 -17.7407 -7.6214 -7.6214 -4.6844 -4.6844 -4.2750 -4.2750 -4.0910 -4.0910 -0.0193 -0.0193 0.8134 0.8134 1.6314 1.6314 5.1287 5.1287 8.1365 8.1365 12.8426 12.8426 14.1792 14.1792 k = 0.0085-0.0073 0.0074 ( 3333 PWs) bands (ev): -47.5064 -47.5064 -22.5562 -22.5562 -19.5583 -19.5582 -19.3909 -19.3908 -19.3628 -19.3628 -17.7409 -17.7409 -7.6210 -7.6210 -4.6873 -4.6864 -4.2729 -4.2719 -4.0912 -4.0912 -0.0191 -0.0191 0.8116 0.8121 1.6318 1.6326 5.1292 5.1292 8.1380 8.1382 12.8434 12.8440 14.1661 14.1663 k = 0.0170-0.0146 0.0148 ( 3329 PWs) bands (ev): -47.5064 -47.5064 -22.5561 -22.5561 -19.5581 -19.5580 -19.3908 -19.3906 -19.3628 -19.3628 -17.7417 -17.7415 -7.6198 -7.6197 -4.6949 -4.6932 -4.2661 -4.2641 -4.0918 -4.0918 -0.0186 -0.0186 0.8069 0.8079 1.6339 1.6355 5.1304 5.1304 8.1428 8.1432 12.8463 12.8475 14.1304 14.1308 k = 0.0255-0.0220 0.0222 ( 3325 PWs) bands (ev): -47.5064 -47.5064 -22.5559 -22.5559 -19.5580 -19.5577 -19.3906 -19.3902 -19.3628 -19.3628 -17.7429 -17.7427 -7.6177 -7.6177 -4.7066 -4.7042 -4.2548 -4.2521 -4.0927 -4.0927 -0.0177 -0.0177 0.7993 0.8008 1.6376 1.6400 5.1326 5.1326 8.1507 8.1514 12.8512 12.8530 14.0790 14.0797 k = 0.0340-0.0293 0.0297 ( 3327 PWs) bands (ev): -47.5064 -47.5064 -22.5556 -22.5556 -19.5577 -19.5575 -19.3903 -19.3898 -19.3629 -19.3628 -17.7445 -17.7443 -7.6150 -7.6149 -4.7217 -4.7187 -4.2401 -4.2366 -4.0940 -4.0940 -0.0166 -0.0165 0.7889 0.7909 1.6428 1.6461 5.1355 5.1356 8.1618 8.1627 12.8578 12.8602 14.0183 14.0192 k = 0.0425-0.0366 0.0371 ( 3331 PWs) bands (ev): -47.5064 -47.5064 -22.5553 -22.5552 -19.5574 -19.5571 -19.3899 -19.3894 -19.3630 -19.3629 -17.7466 -17.7463 -7.6115 -7.6114 -4.7393 -4.7359 -4.2225 -4.2184 -4.0957 -4.0957 -0.0150 -0.0150 0.7761 0.7785 1.6496 1.6535 5.1393 5.1393 8.1759 8.1770 12.8654 12.8685 13.9523 13.9536 k = 0.0510-0.0439 0.0445 ( 3333 PWs) bands (ev): -47.5064 -47.5064 -22.5549 -22.5548 -19.5571 -19.5568 -19.3894 -19.3888 -19.3630 -19.3630 -17.7492 -17.7488 -7.6074 -7.6073 -4.7587 -4.7549 -4.2029 -4.1984 -4.0977 -4.0977 -0.0132 -0.0131 0.7609 0.7637 1.6577 1.6623 5.1439 5.1439 8.1930 8.1943 12.8734 12.8772 13.8838 13.8855 k = 0.0595-0.0512 0.0519 ( 3339 PWs) bands (ev): -47.5064 -47.5064 -22.5544 -22.5543 -19.5566 -19.5563 -19.3888 -19.3882 -19.3632 -19.3631 -17.7521 -17.7517 -7.6027 -7.6026 -4.7792 -4.7752 -4.1821 -4.1771 -4.1001 -4.1000 -0.0110 -0.0110 0.7438 0.7469 1.6669 1.6722 5.1493 5.1493 8.2130 8.2145 12.8810 12.8856 13.8144 13.8166 k = 0.0680-0.0586 0.0593 ( 3351 PWs) bands (ev): -47.5064 -47.5064 -22.5538 -22.5537 -19.5562 -19.5559 -19.3881 -19.3875 -19.3633 -19.3633 -17.7554 -17.7550 -7.5975 -7.5974 -4.8003 -4.7961 -4.1604 -4.1552 -4.1027 -4.1026 -0.0085 -0.0084 0.7249 0.7283 1.6773 1.6831 5.1554 5.1554 8.2357 8.2373 12.8869 12.8923 13.7456 13.7482 k = 0.0764-0.0659 0.0667 ( 3351 PWs) bands (ev): -47.5064 -47.5064 -22.5532 -22.5531 -19.5556 -19.5555 -19.3873 -19.3868 -19.3634 -19.3634 -17.7590 -17.7586 -7.5920 -7.5919 -4.8216 -4.8172 -4.1387 -4.1331 -4.1055 -4.1052 -0.0056 -0.0056 0.7047 0.7083 1.6887 1.6950 5.1623 5.1623 8.2609 8.2628 12.8900 12.8962 13.6784 13.6814 k = 0.0849-0.0732 0.0741 ( 3349 PWs) bands (ev): -47.5064 -47.5064 -22.5524 -22.5523 -19.5549 -19.5549 -19.3864 -19.3860 -19.3636 -19.3635 -17.7629 -17.7625 -7.5862 -7.5861 -4.8425 -4.8380 -4.1191 -4.1143 -4.1060 -4.1052 -0.0024 -0.0024 0.6833 0.6872 1.7010 1.7078 5.1699 5.1699 8.2886 8.2906 12.8885 12.8955 13.6135 13.6169 k = 0.0934-0.0805 0.0816 ( 3349 PWs) bands (ev): -47.5064 -47.5064 -22.5516 -22.5515 -19.5545 -19.5542 -19.3854 -19.3851 -19.3637 -19.3636 -17.7671 -17.7666 -7.5802 -7.5801 -4.8629 -4.8584 -4.1150 -4.1141 -4.0918 -4.0870 0.0011 0.0011 0.6612 0.6653 1.7141 1.7213 5.1781 5.1782 8.3185 8.3207 12.8808 12.8886 13.5515 13.5552 k = 0.1019-0.0879 0.0890 ( 3349 PWs) bands (ev): -47.5064 -47.5064 -22.5508 -22.5507 -19.5540 -19.5535 -19.3844 -19.3843 -19.3638 -19.3638 -17.7716 -17.7711 -7.5742 -7.5741 -4.8824 -4.8779 -4.1182 -4.1178 -4.0713 -4.0658 0.0049 0.0049 0.6387 0.6429 1.7278 1.7353 5.1870 5.1870 8.3505 8.3529 12.8654 12.8737 13.4926 13.4963 k = 0.1104-0.0952 0.0964 ( 3341 PWs) bands (ev): -47.5064 -47.5064 -22.5498 -22.5497 -19.5535 -19.5528 -19.3834 -19.3832 -19.3639 -19.3639 -17.7762 -17.7757 -7.5684 -7.5682 -4.9008 -4.8962 -4.1222 -4.1220 -4.0508 -4.0451 0.0090 0.0090 0.6160 0.6203 1.7420 1.7500 5.1965 5.1965 8.3845 8.3870 12.8411 12.8498 13.4362 13.4398 k = 0.1189-0.1025 0.1038 ( 3345 PWs) bands (ev): -47.5064 -47.5064 -22.5488 -22.5487 -19.5531 -19.5520 -19.3826 -19.3822 -19.3641 -19.3641 -17.7810 -17.7804 -7.5627 -7.5626 -4.9179 -4.9133 -4.1267 -4.1265 -4.0312 -4.0254 0.0134 0.0134 0.5935 0.5979 1.7568 1.7651 5.2065 5.2065 8.4202 8.4228 12.8076 12.8164 13.3814 13.3845 k = 0.1274-0.1098 0.1112 ( 3353 PWs) bands (ev): -47.5064 -47.5064 -22.5477 -22.5476 -19.5528 -19.5513 -19.3818 -19.3811 -19.3644 -19.3643 -17.7859 -17.7853 -7.5575 -7.5574 -4.9335 -4.9290 -4.1315 -4.1313 -4.0127 -4.0067 0.0180 0.0181 0.5715 0.5760 1.7719 1.7805 5.2169 5.2169 8.4574 8.4601 12.7651 12.7737 13.3264 13.3290 k = 0.1359-0.1171 0.1186 ( 3345 PWs) bands (ev): -47.5063 -47.5063 -22.5466 -22.5464 -19.5524 -19.5505 -19.3811 -19.3799 -19.3645 -19.3643 -17.7908 -17.7903 -7.5528 -7.5527 -4.9474 -4.9429 -4.1365 -4.1364 -3.9954 -3.9893 0.0230 0.0230 0.5503 0.5549 1.7875 1.7963 5.2279 5.2279 8.4961 8.4989 12.7147 12.7229 13.2698 13.2716 k = 0.1444-0.1245 0.1261 ( 3353 PWs) bands (ev): -47.5063 -47.5063 -22.5454 -22.5452 -19.5522 -19.5499 -19.3804 -19.3789 -19.3647 -19.3645 -17.7957 -17.7953 -7.5488 -7.5487 -4.9595 -4.9550 -4.1418 -4.1417 -3.9794 -3.9733 0.0282 0.0283 0.5301 0.5348 1.8032 1.8123 5.2392 5.2392 8.5360 8.5389 12.6574 12.6651 13.2104 13.2115 k = 0.1529-0.1318 0.1335 ( 3349 PWs) bands (ev): -47.5063 -47.5063 -22.5441 -22.5439 -19.5520 -19.5491 -19.3798 -19.3778 -19.3649 -19.3646 -17.8007 -17.8002 -7.5456 -7.5455 -4.9696 -4.9651 -4.1473 -4.1472 -3.9649 -3.9588 0.0337 0.0338 0.5113 0.5161 1.8192 1.8285 5.2509 5.2509 8.5770 8.5800 12.5945 12.6016 13.1478 13.1483 k = 0.1614-0.1391 0.1409 ( 3345 PWs) bands (ev): -47.5063 -47.5063 -22.5427 -22.5425 -19.5519 -19.5484 -19.3793 -19.3768 -19.3651 -19.3646 -17.8055 -17.8051 -7.5433 -7.5432 -4.9776 -4.9731 -4.1530 -4.1529 -3.9520 -3.9458 0.0395 0.0395 0.4942 0.4990 1.8353 1.8448 5.2629 5.2629 8.6190 8.6220 12.5272 12.5337 13.0822 13.0823 k = 0.1699-0.1464 0.1483 ( 3335 PWs) bands (ev): -47.5063 -47.5063 -22.5413 -22.5411 -19.5518 -19.5478 -19.3789 -19.3759 -19.3652 -19.3646 -17.8102 -17.8099 -7.5420 -7.5420 -4.9834 -4.9790 -4.1588 -4.1587 -3.9407 -3.9345 0.0455 0.0455 0.4788 0.4837 1.8514 1.8611 5.2752 5.2752 8.6617 8.6648 12.4563 12.4622 13.0138 13.0145 k = 0.1784-0.1537 0.1557 ( 3339 PWs) bands (ev): -47.5063 -47.5063 -22.5398 -22.5396 -19.5519 -19.5472 -19.3788 -19.3751 -19.3653 -19.3647 -17.8148 -17.8145 -7.5419 -7.5419 -4.9870 -4.9826 -4.1647 -4.1647 -3.9312 -3.9250 0.0517 0.0517 0.4655 0.4705 1.8676 1.8774 5.2877 5.2877 8.7051 8.7083 12.3826 12.3879 12.9440 12.9451 k = 0.1869-0.1611 0.1631 ( 3343 PWs) bands (ev): -47.5063 -47.5063 -22.5383 -22.5381 -19.5521 -19.5467 -19.3788 -19.3746 -19.3655 -19.3646 -17.8191 -17.8189 -7.5430 -7.5429 -4.9883 -4.9840 -4.1709 -4.1708 -3.9234 -3.9172 0.0581 0.0581 0.4545 0.4595 1.8836 1.8937 5.3003 5.3003 8.7491 8.7523 12.3066 12.3114 12.8736 12.8751 k = 0.1954-0.1684 0.1705 ( 3345 PWs) bands (ev): -47.5063 -47.5063 -22.5367 -22.5365 -19.5523 -19.5463 -19.3789 -19.3742 -19.3656 -19.3646 -17.8233 -17.8231 -7.5454 -7.5453 -4.9874 -4.9831 -4.1771 -4.1770 -3.9174 -3.9112 0.0647 0.0647 0.4459 0.4510 1.8995 1.9097 5.3130 5.3130 8.7935 8.7967 12.2288 12.2332 12.8032 12.8050 k = 0.2039-0.1757 0.1780 ( 3343 PWs) bands (ev): -47.5062 -47.5062 -22.5351 -22.5349 -19.5527 -19.5459 -19.3792 -19.3739 -19.3656 -19.3644 -17.8271 -17.8270 -7.5491 -7.5490 -4.9841 -4.9798 -4.1834 -4.1834 -3.9132 -3.9070 0.0715 0.0715 0.4398 0.4451 1.9152 1.9256 5.3257 5.3258 8.8382 8.8414 12.1496 12.1535 12.7336 12.7357 k = 0.2124-0.1830 0.1854 ( 3343 PWs) bands (ev): -47.5062 -47.5062 -22.5334 -22.5332 -19.5531 -19.5456 -19.3798 -19.3738 -19.3657 -19.3643 -17.8307 -17.8306 -7.5541 -7.5540 -4.9785 -4.9743 -4.1898 -4.1898 -3.9108 -3.9046 0.0784 0.0785 0.4365 0.4419 1.9306 1.9411 5.3385 5.3386 8.8832 8.8864 12.0693 12.0728 12.6652 12.6676 k = 0.2208-0.1903 0.1928 ( 3347 PWs) bands (ev): -47.5062 -47.5062 -22.5317 -22.5314 -19.5536 -19.5454 -19.3805 -19.3739 -19.3658 -19.3642 -17.8340 -17.8339 -7.5605 -7.5604 -4.9707 -4.9666 -4.1963 -4.1962 -3.9101 -3.9040 0.0855 0.0856 0.4360 0.4415 1.9457 1.9563 5.3512 5.3513 8.9284 8.9316 11.9882 11.9913 12.5984 12.6010 k = 0.2293-0.1977 0.2002 ( 3343 PWs) bands (ev): -47.5062 -47.5062 -22.5299 -22.5297 -19.5543 -19.5453 -19.3814 -19.3741 -19.3658 -19.3640 -17.8369 -17.8367 -7.5683 -7.5681 -4.9607 -4.9567 -4.2028 -4.2027 -3.9112 -3.9051 0.0928 0.0928 0.4385 0.4440 1.9603 1.9711 5.3639 5.3639 8.9737 8.9768 11.9065 11.9094 12.5336 12.5363 k = 0.2378-0.2050 0.2076 ( 3339 PWs) bands (ev): -47.5062 -47.5062 -22.5281 -22.5279 -19.5550 -19.5452 -19.3825 -19.3745 -19.3658 -19.3639 -17.8395 -17.8392 -7.5773 -7.5771 -4.9487 -4.9447 -4.2092 -4.2092 -3.9139 -3.9079 0.1001 0.1002 0.4438 0.4495 1.9744 1.9854 5.3764 5.3764 9.0191 9.0222 11.8246 11.8272 12.4708 12.4737 k = 0.2463-0.2123 0.2150 ( 3335 PWs) bands (ev): -47.5062 -47.5062 -22.5263 -22.5260 -19.5558 -19.5453 -19.3837 -19.3750 -19.3658 -19.3639 -17.8417 -17.8413 -7.5876 -7.5874 -4.9347 -4.9308 -4.2157 -4.2157 -3.9182 -3.9123 0.1076 0.1076 0.4521 0.4579 1.9880 1.9990 5.3887 5.3888 9.0644 9.0675 11.7426 11.7449 12.4104 12.4133 k = 0.2548-0.2196 0.2224 ( 3339 PWs) bands (ev): -47.5062 -47.5062 -22.5244 -22.5242 -19.5567 -19.5455 -19.3851 -19.3757 -19.3659 -19.3639 -17.8435 -17.8431 -7.5991 -7.5988 -4.9190 -4.9151 -4.2222 -4.2221 -3.9241 -3.9182 0.1151 0.1151 0.4633 0.4692 2.0009 2.0120 5.4009 5.4009 9.1098 9.1128 11.6608 11.6630 12.3522 12.3552 k = 0.2633-0.2269 0.2299 ( 3335 PWs) bands (ev): -47.5061 -47.5061 -22.5226 -22.5223 -19.5577 -19.5458 -19.3866 -19.3765 -19.3659 -19.3640 -17.8449 -17.8444 -7.6117 -7.6114 -4.9016 -4.8977 -4.2286 -4.2285 -3.9314 -3.9256 0.1226 0.1227 0.4775 0.4835 2.0131 2.0244 5.4127 5.4128 9.1552 9.1581 11.5794 11.5815 12.2965 12.2994 k = 0.2718-0.2343 0.2373 ( 3331 PWs) bands (ev): -47.5061 -47.5061 -22.5207 -22.5204 -19.5588 -19.5463 -19.3883 -19.3774 -19.3660 -19.3640 -17.8459 -17.8453 -7.6253 -7.6249 -4.8826 -4.8789 -4.2350 -4.2349 -3.9400 -3.9343 0.1302 0.1302 0.4946 0.5007 2.0246 2.0359 5.4243 5.4244 9.2006 9.2034 11.4987 11.5006 12.2431 12.2460 k = 0.2803-0.2416 0.2447 ( 3333 PWs) bands (ev): -47.5061 -47.5061 -22.5188 -22.5185 -19.5599 -19.5468 -19.3901 -19.3784 -19.3661 -19.3642 -17.8465 -17.8458 -7.6397 -7.6394 -4.8624 -4.8587 -4.2413 -4.2412 -3.9498 -3.9442 0.1378 0.1378 0.5144 0.5207 2.0351 2.0465 5.4356 5.4356 9.2459 9.2486 11.4188 11.4207 12.1921 12.1949 k = 0.2888-0.2489 0.2521 ( 3341 PWs) bands (ev): -47.5061 -47.5061 -22.5169 -22.5166 -19.5612 -19.5476 -19.3920 -19.3797 -19.3663 -19.3645 -17.8467 -17.8460 -7.6550 -7.6546 -4.8410 -4.8373 -4.2475 -4.2475 -3.9607 -3.9552 0.1454 0.1454 0.5368 0.5433 2.0447 2.0562 5.4465 5.4465 9.2913 9.2939 11.3401 11.3418 12.1434 12.1461 k = 0.2973-0.2562 0.2595 ( 3343 PWs) bands (ev): -47.5061 -47.5061 -22.5150 -22.5147 -19.5626 -19.5484 -19.3940 -19.3810 -19.3664 -19.3647 -17.8466 -17.8458 -7.6709 -7.6705 -4.8186 -4.8149 -4.2536 -4.2536 -3.9726 -3.9671 0.1529 0.1529 0.5619 0.5685 2.0534 2.0649 5.4571 5.4571 9.3366 9.3391 11.2625 11.2642 12.0970 12.0996 k = 0.3058-0.2636 0.2669 ( 3343 PWs) bands (ev): -47.5061 -47.5061 -22.5131 -22.5128 -19.5639 -19.5494 -19.3960 -19.3824 -19.3665 -19.3650 -17.8461 -17.8452 -7.6874 -7.6870 -4.7954 -4.7918 -4.2596 -4.2595 -3.9852 -3.9798 0.1604 0.1604 0.5894 0.5961 2.0609 2.0725 5.4672 5.4673 9.3821 9.3845 11.1865 11.1881 12.0528 12.0553 k = 0.3143-0.2709 0.2743 ( 3339 PWs) bands (ev): -47.5061 -47.5061 -22.5112 -22.5109 -19.5654 -19.5505 -19.3981 -19.3839 -19.3666 -19.3652 -17.8452 -17.8443 -7.7043 -7.7038 -4.7716 -4.7680 -4.2654 -4.2653 -3.9985 -3.9932 0.1678 0.1678 0.6192 0.6261 2.0674 2.0790 5.4770 5.4770 9.4277 9.4299 11.1120 11.1137 12.0109 12.0132 k = 0.3228-0.2782 0.2818 ( 3343 PWs) bands (ev): -47.5061 -47.5061 -22.5094 -22.5091 -19.5669 -19.5517 -19.4002 -19.3856 -19.3668 -19.3655 -17.8441 -17.8431 -7.7214 -7.7210 -4.7474 -4.7439 -4.2711 -4.2710 -4.0124 -4.0072 0.1750 0.1750 0.6510 0.6581 2.0726 2.0842 5.4863 5.4863 9.4734 9.4755 11.0394 11.0410 11.9710 11.9731 k = 0.3313-0.2855 0.2892 ( 3337 PWs) bands (ev): -47.5061 -47.5061 -22.5076 -22.5073 -19.5683 -19.5530 -19.4022 -19.3873 -19.3669 -19.3658 -17.8427 -17.8416 -7.7388 -7.7383 -4.7230 -4.7194 -4.2765 -4.2764 -4.0267 -4.0216 0.1822 0.1822 0.6848 0.6920 2.0766 2.0883 5.4952 5.4953 9.5194 9.5214 10.9687 10.9704 11.9331 11.9350 k = 0.3398-0.2928 0.2966 ( 3335 PWs) bands (ev): -47.5060 -47.5060 -22.5058 -22.5055 -19.5699 -19.5545 -19.4043 -19.3891 -19.3671 -19.3661 -17.8410 -17.8399 -7.7561 -7.7557 -4.6984 -4.6949 -4.2818 -4.2817 -4.0413 -4.0362 0.1891 0.1891 0.7203 0.7276 2.0794 2.0910 5.5037 5.5037 9.5657 9.5674 10.9002 10.9019 11.8971 11.8987 k = 0.3483-0.3002 0.3040 ( 3335 PWs) bands (ev): -47.5060 -47.5060 -22.5040 -22.5038 -19.5714 -19.5561 -19.4062 -19.3910 -19.3672 -19.3663 -17.8391 -17.8380 -7.7734 -7.7729 -4.6740 -4.6705 -4.2869 -4.2868 -4.0560 -4.0510 0.1959 0.1959 0.7572 0.7646 2.0808 2.0924 5.5117 5.5117 9.6122 9.6139 10.8341 10.8358 11.8629 11.8642 k = 0.3568-0.3075 0.3114 ( 3343 PWs) bands (ev): -47.5060 -47.5060 -22.5023 -22.5021 -19.5730 -19.5579 -19.4082 -19.3930 -19.3674 -19.3666 -17.8370 -17.8359 -7.7904 -7.7900 -4.6498 -4.6463 -4.2918 -4.2917 -4.0707 -4.0659 0.2025 0.2025 0.7954 0.8029 2.0808 2.0923 5.5192 5.5192 9.6592 9.6606 10.7705 10.7722 11.8303 11.8313 k = 0.3653-0.3148 0.3188 ( 3343 PWs) bands (ev): -47.5060 -47.5060 -22.5007 -22.5004 -19.5746 -19.5596 -19.4100 -19.3950 -19.3675 -19.3668 -17.8348 -17.8337 -7.8071 -7.8067 -4.6261 -4.6226 -4.2965 -4.2964 -4.0854 -4.0806 0.2088 0.2088 0.8346 0.8422 2.0795 2.0910 5.5262 5.5263 9.7066 9.7078 10.7096 10.7113 11.7992 11.7998 k = 0.3737-0.3221 0.3262 ( 3336 PWs) bands (ev): -47.5060 -47.5060 -22.4991 -22.4988 -19.5761 -19.5615 -19.4117 -19.3969 -19.3676 -19.3670 -17.8325 -17.8314 -7.8234 -7.8230 -4.6029 -4.5994 -4.3009 -4.3008 -4.0998 -4.0951 0.2149 0.2149 0.8745 0.8822 2.0769 2.0882 5.5329 5.5329 9.7544 9.7554 10.6517 10.6535 11.7692 11.7695 k = 0.3822-0.3294 0.3337 ( 3322 PWs) bands (ev): -47.5060 -47.5060 -22.4976 -22.4973 -19.5774 -19.5633 -19.4132 -19.3988 -19.3677 -19.3672 -17.8300 -17.8290 -7.8391 -7.8387 -4.5803 -4.5769 -4.3051 -4.3050 -4.1138 -4.1093 0.2207 0.2208 0.9149 0.9226 2.0729 2.0841 5.5390 5.5390 9.8026 9.8034 10.5970 10.5988 11.7398 11.7401 k = 0.3907-0.3368 0.3411 ( 3322 PWs) bands (ev): -47.5060 -47.5060 -22.4961 -22.4959 -19.5789 -19.5653 -19.4146 -19.4008 -19.3679 -19.3674 -17.8276 -17.8266 -7.8542 -7.8538 -4.5587 -4.5553 -4.3090 -4.3089 -4.1275 -4.1231 0.2263 0.2263 0.9554 0.9631 2.0676 2.0786 5.5446 5.5447 9.8511 9.8517 10.5458 10.5477 11.7102 11.7111 k = 0.3992-0.3441 0.3485 ( 3326 PWs) bands (ev): -47.5060 -47.5060 -22.4948 -22.4946 -19.5802 -19.5673 -19.4160 -19.4027 -19.3680 -19.3677 -17.8252 -17.8242 -7.8686 -7.8682 -4.5380 -4.5346 -4.3127 -4.3126 -4.1407 -4.1364 0.2314 0.2315 0.9957 1.0034 2.0611 2.0718 5.5498 5.5499 9.8998 9.9001 10.4985 10.5005 11.6796 11.6812 k = 0.4077-0.3514 0.3559 ( 3326 PWs) bands (ev): -47.5060 -47.5060 -22.4935 -22.4933 -19.5814 -19.5693 -19.4171 -19.4046 -19.3681 -19.3678 -17.8228 -17.8219 -7.8821 -7.8817 -4.5184 -4.5150 -4.3161 -4.3160 -4.1533 -4.1492 0.2363 0.2363 1.0355 1.0431 2.0535 2.0639 5.5546 5.5546 9.9482 9.9483 10.4556 10.4577 11.6464 11.6488 k = 0.4162-0.3587 0.3633 ( 3332 PWs) bands (ev): -47.5060 -47.5060 -22.4923 -22.4921 -19.5826 -19.5713 -19.4181 -19.4064 -19.3683 -19.3680 -17.8205 -17.8197 -7.8947 -7.8944 -4.5000 -4.4967 -4.3193 -4.3192 -4.1652 -4.1612 0.2407 0.2408 1.0744 1.0819 2.0449 2.0549 5.5588 5.5589 9.9956 9.9959 10.4178 10.4202 11.6079 11.6110 k = 0.4247-0.3660 0.3707 ( 3316 PWs) bands (ev): -47.5059 -47.5059 -22.4912 -22.4910 -19.5835 -19.5731 -19.4188 -19.4081 -19.3683 -19.3681 -17.8183 -17.8175 -7.9063 -7.9060 -4.4828 -4.4796 -4.3221 -4.3220 -4.1764 -4.1725 0.2449 0.2449 1.1121 1.1193 2.0355 2.0451 5.5627 5.5627 10.0408 10.0414 10.3866 10.3891 11.5607 11.5643 k = 0.4332-0.3734 0.3782 ( 3316 PWs) bands (ev): -47.5059 -47.5059 -22.4902 -22.4901 -19.5844 -19.5750 -19.4195 -19.4097 -19.3684 -19.3683 -17.8162 -17.8155 -7.9168 -7.9166 -4.4670 -4.4639 -4.3247 -4.3245 -4.1867 -4.1830 0.2486 0.2486 1.1480 1.1549 2.0256 2.0346 5.5661 5.5661 10.0817 10.0827 10.3640 10.3668 11.5023 11.5059 k = 0.4417-0.3807 0.3856 ( 3320 PWs) bands (ev): -47.5059 -47.5059 -22.4893 -22.4892 -19.5851 -19.5768 -19.4200 -19.4113 -19.3685 -19.3684 -17.8144 -17.8137 -7.9263 -7.9260 -4.4527 -4.4498 -4.3270 -4.3268 -4.1961 -4.1927 0.2519 0.2519 1.1817 1.1882 2.0154 2.0238 5.5691 5.5691 10.1147 10.1162 10.3534 10.3564 11.4342 11.4373 k = 0.4502-0.3880 0.3930 ( 3316 PWs) bands (ev): -47.5059 -47.5059 -22.4886 -22.4885 -19.5857 -19.5785 -19.4203 -19.4128 -19.3686 -19.3684 -17.8127 -17.8121 -7.9345 -7.9343 -4.4400 -4.4372 -4.3289 -4.3288 -4.2044 -4.2013 0.2548 0.2548 1.2126 1.2186 2.0054 2.0129 5.5717 5.5717 10.1360 10.1376 10.3587 10.3616 11.3610 11.3634 k = 0.4587-0.3953 0.4004 ( 3306 PWs) bands (ev): -47.5059 -47.5059 -22.4879 -22.4878 -19.5860 -19.5800 -19.4204 -19.4141 -19.3686 -19.3685 -17.8112 -17.8107 -7.9416 -7.9414 -4.4288 -4.4264 -4.3306 -4.3305 -4.2117 -4.2090 0.2573 0.2573 1.2403 1.2456 1.9959 2.0025 5.5739 5.5739 10.1448 10.1462 10.3799 10.3825 11.2874 11.2893 k = 0.4672-0.4027 0.4078 ( 3306 PWs) bands (ev): -47.5059 -47.5059 -22.4874 -22.4873 -19.5862 -19.5814 -19.4204 -19.4153 -19.3686 -19.3686 -17.8100 -17.8096 -7.9473 -7.9472 -4.4195 -4.4174 -4.3320 -4.3318 -4.2178 -4.2155 0.2593 0.2593 1.2641 1.2685 1.9874 1.9929 5.5756 5.5756 10.1449 10.1459 10.4116 10.4137 11.2179 11.2194 k = 0.4757-0.4100 0.4152 ( 3308 PWs) bands (ev): -47.5059 -47.5059 -22.4869 -22.4869 -19.5862 -19.5826 -19.4203 -19.4165 -19.3687 -19.3686 -17.8090 -17.8087 -7.9518 -7.9517 -4.4120 -4.4103 -4.3330 -4.3329 -4.2225 -4.2207 0.2609 0.2609 1.2833 1.2868 1.9804 1.9846 5.5769 5.5769 10.1412 10.1419 10.4467 10.4482 11.1564 11.1575 k = 0.4842-0.4173 0.4226 ( 3304 PWs) bands (ev): -47.5059 -47.5059 -22.4866 -22.4866 -19.5860 -19.5837 -19.4199 -19.4174 -19.3687 -19.3687 -17.8083 -17.8081 -7.9550 -7.9549 -4.4065 -4.4054 -4.3338 -4.3337 -4.2258 -4.2246 0.2620 0.2620 1.2976 1.2999 1.9753 1.9782 5.5779 5.5779 10.1371 10.1375 10.4783 10.4793 11.1075 11.1082 k = 0.4842-0.4173 0.4226 ( 3304 PWs) bands (ev): -47.5059 -47.5059 -22.4866 -22.4866 -19.5860 -19.5837 -19.4199 -19.4174 -19.3687 -19.3687 -17.8083 -17.8081 -7.9550 -7.9549 -4.4065 -4.4054 -4.3338 -4.3337 -4.2258 -4.2246 0.2620 0.2620 1.2976 1.2999 1.9753 1.9782 5.5779 5.5779 10.1371 10.1375 10.4783 10.4793 11.1075 11.1082 k = 0.4846-0.4050 0.4175 ( 3311 PWs) bands (ev): -47.5059 -47.5059 -22.4869 -22.4868 -19.5862 -19.5830 -19.4202 -19.4168 -19.3687 -19.3686 -17.8087 -17.8085 -7.9529 -7.9528 -4.4102 -4.4087 -4.3332 -4.3331 -4.2237 -4.2221 0.2611 0.2611 1.2881 1.2912 1.9785 1.9823 5.5771 5.5771 10.1368 10.1374 10.4579 10.4593 11.1407 11.1417 k = 0.4850-0.3927 0.4124 ( 3309 PWs) bands (ev): -47.5059 -47.5059 -22.4872 -22.4872 -19.5862 -19.5821 -19.4203 -19.4160 -19.3686 -19.3686 -17.8092 -17.8089 -7.9500 -7.9499 -4.4151 -4.4133 -4.3323 -4.3322 -4.2208 -4.2189 0.2599 0.2599 1.2759 1.2797 1.9826 1.9874 5.5758 5.5758 10.1312 10.1320 10.4359 10.4376 11.1830 11.1842 k = 0.4854-0.3804 0.4073 ( 3311 PWs) bands (ev): -47.5059 -47.5059 -22.4877 -22.4877 -19.5861 -19.5812 -19.4203 -19.4151 -19.3685 -19.3685 -17.8098 -17.8095 -7.9463 -7.9462 -4.4212 -4.4191 -4.3311 -4.3310 -4.2172 -4.2149 0.2582 0.2582 1.2610 1.2655 1.9875 1.9930 5.5739 5.5740 10.1207 10.1216 10.4131 10.4151 11.2333 11.2346 k = 0.4858-0.3681 0.4022 ( 3311 PWs) bands (ev): -47.5059 -47.5059 -22.4883 -22.4883 -19.5858 -19.5801 -19.4202 -19.4142 -19.3684 -19.3683 -17.8105 -17.8101 -7.9419 -7.9418 -4.4285 -4.4262 -4.3296 -4.3295 -4.2128 -4.2103 0.2560 0.2561 1.2438 1.2488 1.9929 1.9992 5.5716 5.5716 10.1059 10.1070 10.3900 10.3922 11.2905 11.2920 k = 0.4861-0.3558 0.3971 ( 3315 PWs) bands (ev): -47.5059 -47.5059 -22.4891 -22.4890 -19.5855 -19.5790 -19.4200 -19.4132 -19.3683 -19.3682 -17.8113 -17.8108 -7.9368 -7.9366 -4.4371 -4.4346 -4.3278 -4.3276 -4.2077 -4.2049 0.2535 0.2535 1.2244 1.2299 1.9986 2.0055 5.5688 5.5688 10.0878 10.0890 10.3669 10.3694 11.3540 11.3555 k = 0.4865-0.3435 0.3920 ( 3314 PWs) bands (ev): -47.5059 -47.5059 -22.4899 -22.4898 -19.5850 -19.5777 -19.4196 -19.4121 -19.3681 -19.3679 -17.8122 -17.8116 -7.9309 -7.9307 -4.4468 -4.4443 -4.3257 -4.3255 -4.2018 -4.1989 0.2506 0.2506 1.2032 1.2091 2.0045 2.0120 5.5655 5.5655 10.0673 10.0686 10.3440 10.3466 11.4229 11.4246 k = 0.4869-0.3312 0.3869 ( 3316 PWs) bands (ev): -47.5059 -47.5059 -22.4909 -22.4908 -19.5844 -19.5764 -19.4191 -19.4109 -19.3679 -19.3677 -17.8131 -17.8124 -7.9244 -7.9241 -4.4578 -4.4552 -4.3233 -4.3231 -4.1951 -4.1921 0.2472 0.2472 1.1805 1.1867 2.0104 2.0183 5.5617 5.5617 10.0451 10.0465 10.3213 10.3241 11.4969 11.4985 k = 0.4873-0.3189 0.3818 ( 3315 PWs) bands (ev): -47.5059 -47.5059 -22.4920 -22.4918 -19.5836 -19.5750 -19.4186 -19.4097 -19.3677 -19.3674 -17.8140 -17.8134 -7.9171 -7.9168 -4.4699 -4.4673 -4.3206 -4.3205 -4.1878 -4.1847 0.2435 0.2436 1.1564 1.1629 2.0160 2.0244 5.5575 5.5575 10.0218 10.0233 10.2991 10.3021 11.5750 11.5767 k = 0.4877-0.3066 0.3766 ( 3318 PWs) bands (ev): -47.5059 -47.5059 -22.4932 -22.4930 -19.5828 -19.5736 -19.4179 -19.4084 -19.3675 -19.3671 -17.8151 -17.8144 -7.9091 -7.9089 -4.4832 -4.4806 -4.3177 -4.3175 -4.1797 -4.1766 0.2395 0.2395 1.1312 1.1379 2.0214 2.0300 5.5529 5.5530 9.9978 9.9993 10.2776 10.2807 11.6567 11.6583 k = 0.4881-0.2943 0.3715 ( 3318 PWs) bands (ev): -47.5060 -47.5060 -22.4944 -22.4943 -19.5819 -19.5721 -19.4171 -19.4071 -19.3672 -19.3668 -17.8162 -17.8154 -7.9006 -7.9003 -4.4976 -4.4951 -4.3145 -4.3144 -4.1710 -4.1678 0.2351 0.2351 1.1052 1.1120 2.0263 2.0352 5.5480 5.5480 9.9735 9.9751 10.2572 10.2604 11.7411 11.7426 k = 0.4885-0.2820 0.3664 ( 3315 PWs) bands (ev): -47.5060 -47.5060 -22.4958 -22.4956 -19.5809 -19.5705 -19.4161 -19.4057 -19.3669 -19.3664 -17.8173 -17.8165 -7.8914 -7.8911 -4.5131 -4.5106 -4.3111 -4.3110 -4.1616 -4.1585 0.2305 0.2305 1.0785 1.0853 2.0308 2.0398 5.5427 5.5427 9.9491 9.9506 10.2379 10.2412 11.8272 11.8284 k = 0.4889-0.2697 0.3613 ( 3317 PWs) bands (ev): -47.5060 -47.5060 -22.4972 -22.4970 -19.5798 -19.5690 -19.4151 -19.4043 -19.3666 -19.3660 -17.8185 -17.8177 -7.8816 -7.8813 -4.5296 -4.5271 -4.3075 -4.3074 -4.1517 -4.1486 0.2255 0.2255 1.0513 1.0582 2.0346 2.0438 5.5372 5.5372 9.9246 9.9261 10.2202 10.2235 11.9140 11.9148 k = 0.4893-0.2574 0.3562 ( 3317 PWs) bands (ev): -47.5060 -47.5060 -22.4987 -22.4985 -19.5786 -19.5674 -19.4140 -19.4028 -19.3663 -19.3656 -17.8198 -17.8189 -7.8713 -7.8709 -4.5470 -4.5446 -4.3037 -4.3036 -4.1412 -4.1382 0.2203 0.2203 1.0238 1.0307 2.0378 2.0471 5.5313 5.5313 9.9002 9.9016 10.2042 10.2075 12.0002 12.0004 k = 0.4897-0.2451 0.3511 ( 3319 PWs) bands (ev): -47.5060 -47.5060 -22.5003 -22.5001 -19.5773 -19.5659 -19.4127 -19.4014 -19.3660 -19.3652 -17.8210 -17.8201 -7.8604 -7.8601 -4.5652 -4.5630 -4.2998 -4.2997 -4.1303 -4.1273 0.2148 0.2149 0.9961 1.0030 2.0403 2.0496 5.5253 5.5253 9.8759 9.8772 10.1902 10.1934 12.0843 12.0849 k = 0.4901-0.2328 0.3460 ( 3315 PWs) bands (ev): -47.5060 -47.5060 -22.5019 -22.5017 -19.5760 -19.5643 -19.4114 -19.3999 -19.3656 -19.3646 -17.8223 -17.8214 -7.8491 -7.8488 -4.5842 -4.5821 -4.2957 -4.2956 -4.1189 -4.1160 0.2092 0.2092 0.9685 0.9753 2.0421 2.0515 5.5190 5.5190 9.8517 9.8530 10.1781 10.1813 12.1659 12.1672 k = 0.4905-0.2205 0.3409 ( 3319 PWs) bands (ev): -47.5060 -47.5060 -22.5035 -22.5033 -19.5747 -19.5627 -19.4100 -19.3984 -19.3653 -19.3642 -17.8237 -17.8227 -7.8374 -7.8370 -4.6040 -4.6020 -4.2915 -4.2914 -4.1072 -4.1044 0.2034 0.2034 0.9410 0.9477 2.0433 2.0526 5.5126 5.5126 9.8278 9.8289 10.1681 10.1712 12.2448 12.2469 k = 0.4909-0.2082 0.3358 ( 3321 PWs) bands (ev): -47.5060 -47.5060 -22.5052 -22.5050 -19.5733 -19.5612 -19.4085 -19.3969 -19.3649 -19.3637 -17.8250 -17.8241 -7.8253 -7.8249 -4.6243 -4.6224 -4.2872 -4.2871 -4.0952 -4.0925 0.1975 0.1975 0.9138 0.9204 2.0439 2.0530 5.5061 5.5061 9.8041 9.8051 10.1602 10.1632 12.3214 12.3241 k = 0.4913-0.1959 0.3307 ( 3324 PWs) bands (ev): -47.5060 -47.5060 -22.5069 -22.5067 -19.5719 -19.5598 -19.4069 -19.3954 -19.3646 -19.3631 -17.8264 -17.8254 -7.8128 -7.8125 -4.6451 -4.6433 -4.2828 -4.2827 -4.0830 -4.0803 0.1914 0.1914 0.8870 0.8934 2.0438 2.0528 5.4996 5.4996 9.7807 9.7816 10.1543 10.1572 12.3958 12.3991 k = 0.4917-0.1836 0.3255 ( 3322 PWs) bands (ev): -47.5060 -47.5060 -22.5086 -22.5084 -19.5704 -19.5583 -19.4052 -19.3939 -19.3642 -19.3626 -17.8278 -17.8268 -7.8002 -7.7998 -4.6662 -4.6645 -4.2783 -4.2783 -4.0706 -4.0681 0.1853 0.1853 0.8608 0.8670 2.0431 2.0519 5.4930 5.4930 9.7578 9.7586 10.1503 10.1531 12.4684 12.4722 k = 0.4921-0.1713 0.3204 ( 3321 PWs) bands (ev): -47.5060 -47.5060 -22.5103 -22.5101 -19.5689 -19.5569 -19.4035 -19.3925 -19.3638 -19.3621 -17.8291 -17.8281 -7.7873 -7.7869 -4.6876 -4.6861 -4.2739 -4.2738 -4.0582 -4.0557 0.1791 0.1792 0.8351 0.8412 2.0418 2.0505 5.4864 5.4864 9.7353 9.7360 10.1482 10.1508 12.5394 12.5436 k = 0.4925-0.1591 0.3153 ( 3325 PWs) bands (ev): -47.5061 -47.5061 -22.5120 -22.5118 -19.5674 -19.5556 -19.4018 -19.3911 -19.3635 -19.3615 -17.8305 -17.8295 -7.7743 -7.7739 -4.7092 -4.7077 -4.2694 -4.2694 -4.0457 -4.0434 0.1730 0.1730 0.8102 0.8160 2.0401 2.0485 5.4799 5.4799 9.7135 9.7140 10.1477 10.1502 12.6090 12.6134 k = 0.4929-0.1468 0.3102 ( 3329 PWs) bands (ev): -47.5061 -47.5061 -22.5137 -22.5135 -19.5660 -19.5543 -19.4000 -19.3897 -19.3631 -19.3610 -17.8318 -17.8308 -7.7612 -7.7608 -4.7308 -4.7294 -4.2650 -4.2650 -4.0334 -4.0311 0.1669 0.1669 0.7861 0.7917 2.0379 2.0461 5.4735 5.4735 9.6923 9.6927 10.1488 10.1511 12.6772 12.6818 k = 0.4933-0.1345 0.3051 ( 3329 PWs) bands (ev): -47.5061 -47.5061 -22.5153 -22.5152 -19.5645 -19.5531 -19.3982 -19.3883 -19.3628 -19.3605 -17.8331 -17.8322 -7.7481 -7.7477 -4.7523 -4.7510 -4.2606 -4.2606 -4.0211 -4.0190 0.1608 0.1608 0.7628 0.7682 2.0353 2.0432 5.4671 5.4672 9.6719 9.6722 10.1512 10.1534 12.7440 12.7487 k = 0.4937-0.1222 0.3000 ( 3331 PWs) bands (ev): -47.5061 -47.5061 -22.5170 -22.5168 -19.5630 -19.5520 -19.3964 -19.3870 -19.3624 -19.3600 -17.8344 -17.8335 -7.7351 -7.7348 -4.7735 -4.7724 -4.2563 -4.2563 -4.0091 -4.0071 0.1549 0.1549 0.7405 0.7457 2.0324 2.0400 5.4610 5.4610 9.6523 9.6525 10.1548 10.1568 12.8093 12.8141 k = 0.4941-0.1099 0.2949 ( 3331 PWs) bands (ev): -47.5061 -47.5061 -22.5185 -22.5184 -19.5616 -19.5509 -19.3945 -19.3858 -19.3621 -19.3595 -17.8356 -17.8347 -7.7223 -7.7219 -4.7944 -4.7933 -4.2522 -4.2521 -3.9974 -3.9955 0.1491 0.1491 0.7193 0.7242 2.0293 2.0366 5.4550 5.4551 9.6335 9.6337 10.1594 10.1613 12.8730 12.8778 k = 0.4945-0.0976 0.2898 ( 3328 PWs) bands (ev): -47.5061 -47.5061 -22.5200 -22.5199 -19.5601 -19.5499 -19.3927 -19.3846 -19.3617 -19.3590 -17.8368 -17.8359 -7.7097 -7.7094 -4.8148 -4.8138 -4.2481 -4.2481 -3.9860 -3.9842 0.1435 0.1436 0.6991 0.7037 2.0260 2.0329 5.4493 5.4493 9.6158 9.6158 10.1648 10.1665 12.9350 12.9398 k = 0.4949-0.0853 0.2847 ( 3322 PWs) bands (ev): -47.5061 -47.5061 -22.5215 -22.5213 -19.5587 -19.5490 -19.3909 -19.3834 -19.3614 -19.3586 -17.8379 -17.8371 -7.6975 -7.6972 -4.8345 -4.8336 -4.2442 -4.2442 -3.9750 -3.9734 0.1382 0.1382 0.6801 0.6845 2.0227 2.0291 5.4439 5.4439 9.5990 9.5991 10.1709 10.1724 12.9951 12.9998 k = 0.4953-0.0730 0.2796 ( 3324 PWs) bands (ev): -47.5061 -47.5061 -22.5229 -22.5227 -19.5574 -19.5483 -19.3892 -19.3823 -19.3611 -19.3582 -17.8390 -17.8382 -7.6857 -7.6854 -4.8535 -4.8527 -4.2405 -4.2405 -3.9646 -3.9630 0.1330 0.1331 0.6624 0.6664 2.0192 2.0253 5.4387 5.4387 9.5833 9.5834 10.1773 10.1787 13.0530 13.0576 k = 0.4956-0.0607 0.2744 ( 3324 PWs) bands (ev): -47.5061 -47.5061 -22.5242 -22.5240 -19.5561 -19.5476 -19.3875 -19.3813 -19.3607 -19.3578 -17.8400 -17.8393 -7.6744 -7.6741 -4.8715 -4.8708 -4.2370 -4.2370 -3.9547 -3.9533 0.1282 0.1282 0.6458 0.6496 2.0158 2.0214 5.4338 5.4338 9.5687 9.5688 10.1840 10.1853 13.1085 13.1129 k = 0.4960-0.0484 0.2693 ( 3322 PWs) bands (ev): -47.5061 -47.5061 -22.5254 -22.5252 -19.5549 -19.5470 -19.3859 -19.3804 -19.3604 -19.3575 -17.8410 -17.8403 -7.6637 -7.6635 -4.8885 -4.8879 -4.2337 -4.2337 -3.9454 -3.9441 0.1237 0.1237 0.6306 0.6340 2.0125 2.0177 5.4293 5.4293 9.5553 9.5554 10.1908 10.1920 13.1613 13.1655 k = 0.4964-0.0361 0.2642 ( 3326 PWs) bands (ev): -47.5061 -47.5061 -22.5265 -22.5264 -19.5537 -19.5465 -19.3844 -19.3795 -19.3601 -19.3573 -17.8418 -17.8412 -7.6537 -7.6535 -4.9044 -4.9038 -4.2307 -4.2307 -3.9368 -3.9356 0.1194 0.1194 0.6167 0.6198 2.0093 2.0140 5.4251 5.4251 9.5430 9.5431 10.1975 10.1986 13.2110 13.2150 k = 0.4968-0.0238 0.2591 ( 3326 PWs) bands (ev): -47.5061 -47.5061 -22.5275 -22.5274 -19.5526 -19.5461 -19.3830 -19.3788 -19.3598 -19.3571 -17.8426 -17.8421 -7.6446 -7.6443 -4.9189 -4.9184 -4.2279 -4.2279 -3.9290 -3.9279 0.1156 0.1156 0.6043 0.6070 2.0063 2.0105 5.4213 5.4213 9.5320 9.5321 10.2040 10.2049 13.2574 13.2610 k = 0.4972-0.0115 0.2540 ( 3330 PWs) bands (ev): -47.5061 -47.5061 -22.5284 -22.5283 -19.5515 -19.5458 -19.3817 -19.3781 -19.3596 -19.3570 -17.8433 -17.8428 -7.6362 -7.6360 -4.9320 -4.9316 -4.2254 -4.2254 -3.9219 -3.9210 0.1121 0.1122 0.5932 0.5956 2.0036 2.0073 5.4179 5.4179 9.5222 9.5223 10.2101 10.2109 13.2999 13.3032 k = 0.4976 0.0008 0.2489 ( 3330 PWs) bands (ev): -47.5061 -47.5061 -22.5292 -22.5291 -19.5506 -19.5456 -19.3806 -19.3776 -19.3593 -19.3569 -17.8439 -17.8435 -7.6288 -7.6286 -4.9437 -4.9433 -4.2232 -4.2232 -3.9157 -3.9149 0.1091 0.1091 0.5835 0.5856 2.0011 2.0044 5.4149 5.4149 9.5137 9.5138 10.2157 10.2164 13.3382 13.3411 k = 0.4980 0.0131 0.2438 ( 3332 PWs) bands (ev): -47.5062 -47.5062 -22.5299 -22.5298 -19.5497 -19.5455 -19.3795 -19.3771 -19.3590 -19.3569 -17.8445 -17.8441 -7.6224 -7.6223 -4.9536 -4.9533 -4.2213 -4.2213 -3.9103 -3.9097 0.1065 0.1065 0.5754 0.5771 1.9990 2.0017 5.4124 5.4124 9.5064 9.5065 10.2206 10.2212 13.3717 13.3742 k = 0.4984 0.0254 0.2387 ( 3324 PWs) bands (ev): -47.5061 -47.5061 -22.5304 -22.5304 -19.5488 -19.5455 -19.3786 -19.3767 -19.3586 -19.3569 -17.8449 -17.8446 -7.6171 -7.6170 -4.9619 -4.9617 -4.2198 -4.2198 -3.9059 -3.9054 0.1044 0.1044 0.5687 0.5701 1.9974 1.9995 5.4103 5.4103 9.5005 9.5006 10.2248 10.2253 13.4000 13.4021 k = 0.4988 0.0377 0.2336 ( 3320 PWs) bands (ev): -47.5061 -47.5061 -22.5309 -22.5308 -19.5481 -19.5455 -19.3778 -19.3764 -19.3584 -19.3570 -17.8452 -17.8450 -7.6129 -7.6128 -4.9684 -4.9683 -4.2185 -4.2185 -3.9024 -3.9020 0.1027 0.1027 0.5636 0.5646 1.9961 1.9977 5.4087 5.4087 9.4959 9.4959 10.2282 10.2286 13.4227 13.4242 k = 0.4992 0.0500 0.2284 ( 3324 PWs) bands (ev): -47.5061 -47.5061 -22.5312 -22.5312 -19.5474 -19.5457 -19.3773 -19.3763 -19.3581 -19.3572 -17.8454 -17.8453 -7.6099 -7.6098 -4.9731 -4.9730 -4.2177 -4.2177 -3.8998 -3.8996 0.1015 0.1015 0.5599 0.5606 1.9952 1.9963 5.4075 5.4075 9.4926 9.4926 10.2307 10.2309 13.4392 13.4403 k = 0.4996 0.0623 0.2233 ( 3328 PWs) bands (ev): -47.5062 -47.5062 -22.5314 -22.5314 -19.5469 -19.5460 -19.3768 -19.3764 -19.3578 -19.3574 -17.8455 -17.8455 -7.6080 -7.6080 -4.9760 -4.9759 -4.2171 -4.2171 -3.8983 -3.8982 0.1007 0.1007 0.5578 0.5581 1.9948 1.9953 5.4068 5.4068 9.4906 9.4906 10.2322 10.2323 13.4494 13.4500 k = 0.5000 0.0746 0.2182 ( 3326 PWs) bands (ev): -47.5062 -47.5062 -22.5314 -22.5314 -19.5464 -19.5464 -19.3765 -19.3765 -19.3576 -19.3576 -17.8456 -17.8456 -7.6074 -7.6074 -4.9769 -4.9769 -4.2170 -4.2170 -3.8977 -3.8977 0.1005 0.1005 0.5572 0.5572 1.9949 1.9949 5.4065 5.4065 9.4899 9.4899 10.2328 10.2328 13.4531 13.4531 k = 0.5000 0.0746 0.2182 ( 3326 PWs) bands (ev): -47.5062 -47.5062 -22.5314 -22.5314 -19.5464 -19.5464 -19.3765 -19.3765 -19.3576 -19.3576 -17.8456 -17.8456 -7.6074 -7.6074 -4.9769 -4.9769 -4.2170 -4.2170 -3.8977 -3.8977 0.1005 0.1005 0.5572 0.5572 1.9949 1.9949 5.4065 5.4065 9.4899 9.4899 10.2328 10.2328 13.4531 13.4531 k = 0.4944 0.0794 0.2293 ( 3330 PWs) bands (ev): -47.5062 -47.5062 -22.5314 -22.5314 -19.5467 -19.5462 -19.3768 -19.3764 -19.3580 -19.3573 -17.8455 -17.8454 -7.6073 -7.6073 -4.9768 -4.9767 -4.2177 -4.2175 -3.8979 -3.8978 0.0996 0.0999 0.5573 0.5577 1.9950 1.9951 5.4057 5.4059 9.4915 9.4916 10.2343 10.2344 13.4537 13.4539 k = 0.4889 0.0842 0.2404 ( 3328 PWs) bands (ev): -47.5061 -47.5061 -22.5312 -22.5312 -19.5470 -19.5461 -19.3771 -19.3763 -19.3584 -19.3570 -17.8452 -17.8451 -7.6071 -7.6071 -4.9765 -4.9763 -4.2196 -4.2192 -3.8983 -3.8981 0.0973 0.0980 0.5581 0.5587 1.9956 1.9957 5.4036 5.4039 9.4962 9.4965 10.2389 10.2391 13.4558 13.4563 k = 0.4833 0.0890 0.2515 ( 3328 PWs) bands (ev): -47.5061 -47.5061 -22.5309 -22.5309 -19.5474 -19.5460 -19.3775 -19.3763 -19.3588 -19.3568 -17.8448 -17.8446 -7.6068 -7.6068 -4.9759 -4.9756 -4.2228 -4.2221 -3.8990 -3.8987 0.0937 0.0947 0.5595 0.5604 1.9966 1.9968 5.4000 5.4005 9.5041 9.5045 10.2466 10.2470 13.4594 13.4601 k = 0.4778 0.0937 0.2626 ( 3328 PWs) bands (ev): -47.5061 -47.5061 -22.5306 -22.5306 -19.5479 -19.5459 -19.3781 -19.3764 -19.3593 -19.3566 -17.8441 -17.8438 -7.6063 -7.6063 -4.9750 -4.9746 -4.2272 -4.2262 -3.8999 -3.8996 0.0886 0.0899 0.5614 0.5627 1.9981 1.9983 5.3950 5.3958 9.5152 9.5157 10.2574 10.2579 13.4645 13.4654 k = 0.4722 0.0985 0.2737 ( 3328 PWs) bands (ev): -47.5061 -47.5061 -22.5301 -22.5301 -19.5484 -19.5460 -19.3786 -19.3765 -19.3598 -19.3565 -17.8433 -17.8429 -7.6057 -7.6057 -4.9739 -4.9734 -4.2326 -4.2315 -3.9011 -3.9007 0.0823 0.0839 0.5640 0.5655 1.9999 2.0002 5.3888 5.3897 9.5294 9.5301 10.2713 10.2718 13.4709 13.4721 k = 0.4667 0.1033 0.2848 ( 3332 PWs) bands (ev): -47.5061 -47.5061 -22.5295 -22.5295 -19.5490 -19.5461 -19.3794 -19.3769 -19.3603 -19.3564 -17.8423 -17.8418 -7.6050 -7.6049 -4.9726 -4.9719 -4.2392 -4.2378 -3.9026 -3.9020 0.0747 0.0765 0.5670 0.5688 2.0021 2.0024 5.3812 5.3823 9.5467 9.5474 10.2882 10.2888 13.4787 13.4801 k = 0.4611 0.1081 0.2959 ( 3326 PWs) bands (ev): -47.5061 -47.5061 -22.5288 -22.5288 -19.5496 -19.5462 -19.3801 -19.3772 -19.3607 -19.3564 -17.8411 -17.8406 -7.6041 -7.6041 -4.9710 -4.9703 -4.2468 -4.2452 -3.9043 -3.9036 0.0659 0.0680 0.5706 0.5726 2.0047 2.0051 5.3724 5.3737 9.5669 9.5678 10.3081 10.3088 13.4878 13.4894 k = 0.4556 0.1129 0.3070 ( 3326 PWs) bands (ev): -47.5060 -47.5060 -22.5281 -22.5281 -19.5503 -19.5465 -19.3810 -19.3777 -19.3612 -19.3564 -17.8397 -17.8391 -7.6032 -7.6031 -4.9693 -4.9685 -4.2554 -4.2535 -3.9062 -3.9055 0.0560 0.0583 0.5747 0.5768 2.0076 2.0081 5.3624 5.3638 9.5900 9.5910 10.3309 10.3317 13.4980 13.4999 k = 0.4500 0.1177 0.3181 ( 3326 PWs) bands (ev): -47.5060 -47.5060 -22.5272 -22.5272 -19.5510 -19.5468 -19.3820 -19.3783 -19.3616 -19.3564 -17.8382 -17.8375 -7.6021 -7.6020 -4.9674 -4.9665 -4.2648 -4.2627 -3.9084 -3.9076 0.0450 0.0475 0.5791 0.5815 2.0109 2.0114 5.3512 5.3529 9.6159 9.6171 10.3565 10.3574 13.5093 13.5114 k = 0.4444 0.1225 0.3291 ( 3324 PWs) bands (ev): -47.5060 -47.5060 -22.5263 -22.5263 -19.5518 -19.5471 -19.3830 -19.3789 -19.3620 -19.3565 -17.8365 -17.8358 -7.6009 -7.6008 -4.9654 -4.9643 -4.2750 -4.2727 -3.9108 -3.9100 0.0330 0.0357 0.5840 0.5865 2.0145 2.0150 5.3390 5.3408 9.6446 9.6458 10.3850 10.3860 13.5215 13.5238 k = 0.4389 0.1273 0.3402 ( 3322 PWs) bands (ev): -47.5060 -47.5060 -22.5252 -22.5252 -19.5526 -19.5475 -19.3842 -19.3797 -19.3623 -19.3566 -17.8346 -17.8339 -7.5996 -7.5995 -4.9633 -4.9621 -4.2860 -4.2834 -3.9136 -3.9126 0.0201 0.0230 0.5893 0.5919 2.0184 2.0189 5.3258 5.3277 9.6759 9.6772 10.4161 10.4173 13.5344 13.5370 k = 0.4333 0.1321 0.3513 ( 3326 PWs) bands (ev): -47.5059 -47.5059 -22.5241 -22.5241 -19.5536 -19.5480 -19.3854 -19.3806 -19.3626 -19.3568 -17.8326 -17.8318 -7.5982 -7.5980 -4.9611 -4.9598 -4.2975 -4.2948 -3.9165 -3.9155 0.0064 0.0093 0.5948 0.5975 2.0225 2.0231 5.3116 5.3137 9.7096 9.7110 10.4499 10.4511 13.5479 13.5507 k = 0.4278 0.1368 0.3624 ( 3330 PWs) bands (ev): -47.5059 -47.5059 -22.5229 -22.5229 -19.5545 -19.5486 -19.3868 -19.3815 -19.3629 -19.3570 -17.8305 -17.8297 -7.5967 -7.5965 -4.9590 -4.9575 -4.3096 -4.3066 -3.9197 -3.9186 -0.0081 -0.0051 0.6006 0.6034 2.0269 2.0276 5.2966 5.2989 9.7458 9.7473 10.4863 10.4876 13.5615 13.5647 k = 0.4222 0.1416 0.3735 ( 3328 PWs) bands (ev): -47.5059 -47.5059 -22.5217 -22.5217 -19.5555 -19.5492 -19.3882 -19.3825 -19.3631 -19.3572 -17.8283 -17.8274 -7.5951 -7.5949 -4.9568 -4.9552 -4.3220 -4.3188 -3.9232 -3.9220 -0.0232 -0.0201 0.6067 0.6095 2.0315 2.0322 5.2809 5.2833 9.7842 9.7858 10.5250 10.5264 13.5751 13.5784 k = 0.4167 0.1464 0.3846 ( 3322 PWs) bands (ev): -47.5058 -47.5058 -22.5204 -22.5204 -19.5565 -19.5498 -19.3897 -19.3835 -19.3633 -19.3573 -17.8260 -17.8250 -7.5934 -7.5933 -4.9547 -4.9530 -4.3346 -4.3312 -3.9269 -3.9256 -0.0390 -0.0358 0.6130 0.6158 2.0364 2.0371 5.2645 5.2670 9.8248 9.8264 10.5661 10.5675 13.5880 13.5916 k = 0.4111 0.1512 0.3957 ( 3322 PWs) bands (ev): -47.5058 -47.5058 -22.5190 -22.5190 -19.5575 -19.5505 -19.3912 -19.3846 -19.3635 -19.3575 -17.8235 -17.8225 -7.5917 -7.5915 -4.9528 -4.9509 -4.3474 -4.3437 -3.9308 -3.9295 -0.0553 -0.0521 0.6194 0.6223 2.0414 2.0421 5.2474 5.2501 9.8674 9.8691 10.6093 10.6109 13.5996 13.6035 k = 0.4056 0.1560 0.4068 ( 3322 PWs) bands (ev): -47.5057 -47.5057 -22.5176 -22.5176 -19.5586 -19.5513 -19.3928 -19.3858 -19.3636 -19.3577 -17.8210 -17.8200 -7.5899 -7.5897 -4.9510 -4.9489 -4.3601 -4.3562 -3.9350 -3.9336 -0.0719 -0.0687 0.6260 0.6289 2.0465 2.0472 5.2299 5.2327 9.9119 9.9136 10.6546 10.6562 13.6092 13.6133 k = 0.4000 0.1608 0.4179 ( 3322 PWs) bands (ev): -47.5057 -47.5057 -22.5161 -22.5161 -19.5597 -19.5521 -19.3944 -19.3869 -19.3637 -19.3579 -17.8185 -17.8174 -7.5881 -7.5879 -4.9495 -4.9473 -4.3727 -4.3686 -3.9394 -3.9380 -0.0889 -0.0857 0.6327 0.6355 2.0517 2.0525 5.2119 5.2149 9.9581 9.9600 10.7018 10.7035 13.6156 13.6199 k = 0.3944 0.1656 0.4290 ( 3324 PWs) bands (ev): -47.5056 -47.5056 -22.5146 -22.5146 -19.5609 -19.5529 -19.3961 -19.3882 -19.3638 -19.3582 -17.8158 -17.8147 -7.5862 -7.5860 -4.9483 -4.9459 -4.3850 -4.3807 -3.9440 -3.9425 -0.1062 -0.1030 0.6395 0.6423 2.0570 2.0578 5.1937 5.1967 10.0060 10.0079 10.7507 10.7525 13.6173 13.6217 k = 0.3889 0.1704 0.4401 ( 3326 PWs) bands (ev): -47.5056 -47.5056 -22.5131 -22.5131 -19.5621 -19.5538 -19.3977 -19.3894 -19.3639 -19.3584 -17.8131 -17.8120 -7.5843 -7.5841 -4.9474 -4.9449 -4.3969 -4.3924 -3.9489 -3.9474 -0.1237 -0.1205 0.6462 0.6490 2.0624 2.0632 5.1752 5.1784 10.0555 10.0575 10.8011 10.8030 13.6124 13.6168 k = 0.3833 0.1751 0.4512 ( 3328 PWs) bands (ev): -47.5055 -47.5055 -22.5116 -22.5116 -19.5633 -19.5548 -19.3994 -19.3906 -19.3640 -19.3586 -17.8104 -17.8093 -7.5823 -7.5821 -4.9470 -4.9443 -4.4082 -4.4035 -3.9540 -3.9524 -0.1412 -0.1380 0.6530 0.6557 2.0678 2.0686 5.1566 5.1599 10.1064 10.1084 10.8530 10.8549 13.5990 13.6032 k = 0.3778 0.1799 0.4623 ( 3326 PWs) bands (ev): -47.5055 -47.5055 -22.5100 -22.5100 -19.5644 -19.5557 -19.4011 -19.3919 -19.3640 -19.3588 -17.8077 -17.8065 -7.5804 -7.5801 -4.9470 -4.9442 -4.4189 -4.4140 -3.9592 -3.9575 -0.1587 -0.1555 0.6598 0.6624 2.0732 2.0740 5.1379 5.1413 10.1586 10.1607 10.9060 10.9080 13.5753 13.5792 k = 0.3722 0.1847 0.4733 ( 3330 PWs) bands (ev): -47.5055 -47.5055 -22.5085 -22.5085 -19.5657 -19.5567 -19.4027 -19.3931 -19.3641 -19.3590 -17.8050 -17.8038 -7.5784 -7.5782 -4.9475 -4.9446 -4.4288 -4.4238 -3.9646 -3.9629 -0.1761 -0.1730 0.6664 0.6690 2.0786 2.0794 5.1193 5.1228 10.2120 10.2141 10.9600 10.9621 13.5408 13.5442 k = 0.3667 0.1895 0.4844 ( 3326 PWs) bands (ev): -47.5054 -47.5054 -22.5069 -22.5069 -19.5669 -19.5577 -19.4043 -19.3943 -19.3641 -19.3592 -17.8023 -17.8011 -7.5764 -7.5762 -4.9486 -4.9456 -4.4379 -4.4327 -3.9703 -3.9685 -0.1934 -0.1903 0.6731 0.6756 2.0839 2.0847 5.1008 5.1045 10.2665 10.2687 11.0147 11.0169 13.4960 13.4988 k = 0.3611 0.1943 0.4955 ( 3328 PWs) bands (ev): -47.5054 -47.5054 -22.5054 -22.5054 -19.5681 -19.5588 -19.4059 -19.3956 -19.3641 -19.3594 -17.7996 -17.7984 -7.5745 -7.5742 -4.9502 -4.9471 -4.4460 -4.4407 -3.9760 -3.9742 -0.2105 -0.2074 0.6796 0.6820 2.0892 2.0900 5.0826 5.0863 10.3220 10.3242 11.0700 11.0723 13.4424 13.4447 k = 0.3556 0.1991 0.5066 ( 3330 PWs) bands (ev): -47.5053 -47.5053 -22.5039 -22.5038 -19.5693 -19.5598 -19.4075 -19.3968 -19.3641 -19.3596 -17.7970 -17.7957 -7.5726 -7.5723 -4.9524 -4.9492 -4.4531 -4.4477 -3.9818 -3.9800 -0.2272 -0.2242 0.6859 0.6883 2.0943 2.0951 5.0646 5.0684 10.3784 10.3807 11.1257 11.1281 13.3820 13.3838 k = 0.3500 0.2039 0.5177 ( 3336 PWs) bands (ev): -47.5053 -47.5053 -22.5023 -22.5023 -19.5705 -19.5609 -19.4090 -19.3980 -19.3641 -19.3597 -17.7944 -17.7931 -7.5707 -7.5704 -4.9552 -4.9519 -4.4592 -4.4538 -3.9878 -3.9859 -0.2436 -0.2406 0.6921 0.6944 2.0994 2.1002 5.0470 5.0509 10.4355 10.4379 11.1814 11.1839 13.3166 13.3180 k = 0.3444 0.2087 0.5288 ( 3326 PWs) bands (ev): -47.5052 -47.5052 -22.5009 -22.5009 -19.5716 -19.5619 -19.4104 -19.3991 -19.3641 -19.3599 -17.7918 -17.7906 -7.5688 -7.5685 -4.9584 -4.9551 -4.4642 -4.4588 -3.9938 -3.9919 -0.2594 -0.2565 0.6981 0.7003 2.1043 2.1050 5.0300 5.0340 10.4933 10.4958 11.2369 11.2396 13.2477 13.2488 k = 0.3389 0.2135 0.5399 ( 3330 PWs) bands (ev): -47.5052 -47.5052 -22.4994 -22.4994 -19.5728 -19.5630 -19.4118 -19.4002 -19.3641 -19.3600 -17.7894 -17.7881 -7.5670 -7.5667 -4.9621 -4.9588 -4.4683 -4.4628 -3.9999 -3.9979 -0.2748 -0.2719 0.7039 0.7060 2.1090 2.1098 5.0134 5.0175 10.5517 10.5542 11.2921 11.2948 13.1763 13.1772 k = 0.3333 0.2182 0.5510 ( 3330 PWs) bands (ev): -47.5051 -47.5051 -22.4981 -22.4981 -19.5739 -19.5640 -19.4131 -19.4012 -19.3641 -19.3602 -17.7870 -17.7857 -7.5653 -7.5650 -4.9662 -4.9629 -4.4714 -4.4659 -4.0060 -4.0040 -0.2896 -0.2867 0.7095 0.7115 2.1136 2.1143 4.9975 5.0016 10.6104 10.6130 11.3465 11.3494 13.1034 13.1041 k = 0.3278 0.2230 0.5621 ( 3330 PWs) bands (ev): -47.5051 -47.5051 -22.4967 -22.4967 -19.5749 -19.5650 -19.4144 -19.4022 -19.3640 -19.3603 -17.7847 -17.7835 -7.5636 -7.5633 -4.9707 -4.9674 -4.4735 -4.4681 -4.0120 -4.0100 -0.3037 -0.3009 0.7148 0.7167 2.1179 2.1186 4.9823 4.9865 10.6694 10.6720 11.4000 11.4030 13.0296 13.0302 k = 0.3222 0.2278 0.5732 ( 3336 PWs) bands (ev): -47.5051 -47.5051 -22.4955 -22.4955 -19.5760 -19.5660 -19.4156 -19.4032 -19.3640 -19.3605 -17.7826 -17.7813 -7.5620 -7.5617 -4.9754 -4.9721 -4.4749 -4.4696 -4.0180 -4.0160 -0.3171 -0.3144 0.7198 0.7217 2.1220 2.1227 4.9678 4.9720 10.7284 10.7312 11.4523 11.4555 12.9555 12.9561 k = 0.3167 0.2326 0.5843 ( 3328 PWs) bands (ev): -47.5050 -47.5050 -22.4943 -22.4943 -19.5769 -19.5669 -19.4166 -19.4041 -19.3640 -19.3606 -17.7805 -17.7792 -7.5605 -7.5602 -4.9802 -4.9770 -4.4755 -4.4702 -4.0238 -4.0218 -0.3297 -0.3270 0.7246 0.7263 2.1260 2.1266 4.9541 4.9585 10.7873 10.7901 11.5031 11.5064 12.8815 12.8822 k = 0.3111 0.2374 0.5954 ( 3336 PWs) bands (ev): -47.5050 -47.5050 -22.4931 -22.4931 -19.5779 -19.5678 -19.4177 -19.4049 -19.3640 -19.3607 -17.7786 -17.7773 -7.5591 -7.5588 -4.9851 -4.9819 -4.4755 -4.4703 -4.0295 -4.0275 -0.3416 -0.3389 0.7290 0.7306 2.1296 2.1302 4.9413 4.9457 10.8458 10.8487 11.5522 11.5556 12.8082 12.8090 k = 0.3056 0.2422 0.6064 ( 3336 PWs) bands (ev): -47.5050 -47.5050 -22.4921 -22.4921 -19.5787 -19.5687 -19.4186 -19.4057 -19.3640 -19.3608 -17.7768 -17.7755 -7.5578 -7.5575 -4.9900 -4.9868 -4.4749 -4.4699 -4.0349 -4.0329 -0.3525 -0.3499 0.7331 0.7347 2.1330 2.1335 4.9295 4.9339 10.9035 10.9066 11.5991 11.6028 12.7360 12.7369 k = 0.3000 0.2470 0.6175 ( 3336 PWs) bands (ev): -47.5049 -47.5049 -22.4911 -22.4911 -19.5795 -19.5694 -19.4195 -19.4064 -19.3639 -19.3609 -17.7752 -17.7739 -7.5565 -7.5562 -4.9947 -4.9916 -4.4739 -4.4690 -4.0401 -4.0381 -0.3625 -0.3599 0.7369 0.7383 2.1361 2.1366 4.9186 4.9231 10.9601 10.9633 11.6438 11.6476 12.6653 12.6663 k = 0.2944 0.2518 0.6286 ( 3332 PWs) bands (ev): -47.5049 -47.5049 -22.4902 -22.4902 -19.5802 -19.5701 -19.4202 -19.4070 -19.3639 -19.3610 -17.7737 -17.7724 -7.5554 -7.5551 -4.9992 -4.9961 -4.4727 -4.4679 -4.0449 -4.0430 -0.3716 -0.3690 0.7403 0.7417 2.1389 2.1393 4.9087 4.9133 11.0151 11.0184 11.6859 11.6899 12.5967 12.5979 k = 0.2889 0.2565 0.6397 ( 3330 PWs) bands (ev): -47.5049 -47.5049 -22.4895 -22.4895 -19.5808 -19.5708 -19.4209 -19.4076 -19.3638 -19.3611 -17.7723 -17.7711 -7.5544 -7.5541 -5.0033 -5.0003 -4.4712 -4.4666 -4.0494 -4.0474 -0.3797 -0.3771 0.7434 0.7446 2.1414 2.1418 4.8999 4.9045 11.0678 11.0713 11.7251 11.7293 12.5308 12.5322 k = 0.2833 0.2613 0.6508 ( 3336 PWs) bands (ev): -47.5049 -47.5049 -22.4888 -22.4888 -19.5814 -19.5714 -19.4215 -19.4081 -19.3638 -19.3612 -17.7712 -17.7699 -7.5536 -7.5533 -5.0071 -5.0041 -4.4697 -4.4652 -4.0534 -4.0515 -0.3868 -0.3843 0.7460 0.7472 2.1436 2.1439 4.8922 4.8968 11.1174 11.1210 11.7612 11.7657 12.4683 12.4699 k = 0.2778 0.2661 0.6619 ( 3332 PWs) bands (ev): -47.5048 -47.5048 -22.4882 -22.4882 -19.5819 -19.5718 -19.4220 -19.4085 -19.3638 -19.3612 -17.7702 -17.7689 -7.5528 -7.5525 -5.0104 -5.0075 -4.4683 -4.4638 -4.0568 -4.0550 -0.3929 -0.3903 0.7483 0.7494 2.1455 2.1457 4.8857 4.8903 11.1630 11.1667 11.7939 11.7988 12.4102 12.4122 k = 0.2722 0.2709 0.6730 ( 3328 PWs) bands (ev): -47.5048 -47.5048 -22.4877 -22.4877 -19.5823 -19.5722 -19.4224 -19.4089 -19.3637 -19.3613 -17.7693 -17.7681 -7.5522 -7.5519 -5.0131 -5.0103 -4.4669 -4.4626 -4.0598 -4.0579 -0.3978 -0.3953 0.7502 0.7512 2.1470 2.1472 4.8803 4.8849 11.2032 11.2071 11.8229 11.8282 12.3578 12.3602 k = 0.2667 0.2757 0.6841 ( 3326 PWs) bands (ev): -47.5048 -47.5048 -22.4873 -22.4873 -19.5826 -19.5725 -19.4227 -19.4091 -19.3637 -19.3613 -17.7687 -17.7675 -7.5518 -7.5514 -5.0153 -5.0125 -4.4658 -4.4615 -4.0621 -4.0603 -0.4017 -0.3992 0.7516 0.7526 2.1482 2.1484 4.8761 4.8808 11.2368 11.2408 11.8476 11.8533 12.3128 12.3157 k = 0.2611 0.2805 0.6952 ( 3322 PWs) bands (ev): -47.5048 -47.5048 -22.4870 -22.4870 -19.5828 -19.5727 -19.4229 -19.4093 -19.3637 -19.3613 -17.7682 -17.7670 -7.5514 -7.5511 -5.0169 -5.0142 -4.4649 -4.4607 -4.0638 -4.0620 -0.4045 -0.4020 0.7527 0.7537 2.1491 2.1492 4.8731 4.8777 11.2622 11.2663 11.8670 11.8731 12.2775 12.2810 k = 0.2556 0.2853 0.7063 ( 3322 PWs) bands (ev): -47.5048 -47.5048 -22.4869 -22.4869 -19.5829 -19.5729 -19.4230 -19.4094 -19.3637 -19.3613 -17.7680 -17.7667 -7.5512 -7.5509 -5.0179 -5.0151 -4.4644 -4.4603 -4.0648 -4.0630 -0.4062 -0.4037 0.7533 0.7543 2.1497 2.1497 4.8712 4.8759 11.2781 11.2823 11.8796 11.8861 12.2546 12.2585 k = 0.2500 0.2901 0.7174 ( 3324 PWs) bands (ev): -47.5048 -47.5048 -22.4868 -22.4868 -19.5830 -19.5729 -19.4231 -19.4095 -19.3637 -19.3613 -17.7679 -17.7666 -7.5511 -7.5508 -5.0182 -5.0155 -4.4642 -4.4601 -4.0652 -4.0634 -0.4067 -0.4042 0.7535 0.7545 2.1499 2.1499 4.8706 4.8753 11.2835 11.2878 11.8840 11.8907 12.2466 12.2507 k = 0.3366-0.2901 0.7174 ( 3338 PWs) bands (ev): -47.5052 -47.5052 -22.4820 -22.4817 -19.5727 -19.5685 -19.4072 -19.4045 -19.3764 -19.3700 -17.8070 -17.8069 -7.8180 -7.8174 -4.7012 -4.6978 -4.4315 -4.4308 -4.1358 -4.1315 -0.0937 -0.0911 1.2165 1.2194 2.0094 2.0111 5.0663 5.0677 10.9869 10.9901 11.3281 11.3301 11.9290 11.9297 k = 0.3420-0.2948 0.7065 ( 3334 PWs) bands (ev): -47.5052 -47.5052 -22.4820 -22.4817 -19.5733 -19.5692 -19.4080 -19.4053 -19.3763 -19.3699 -17.8072 -17.8072 -7.8263 -7.8257 -4.6832 -4.6800 -4.4293 -4.4286 -4.1409 -4.1366 -0.0752 -0.0726 1.2226 1.2255 2.0082 2.0101 5.0931 5.0945 10.9673 10.9703 11.2735 11.2754 11.9085 11.9090 k = 0.3475-0.2995 0.6955 ( 3330 PWs) bands (ev): -47.5052 -47.5052 -22.4820 -22.4818 -19.5739 -19.5700 -19.4088 -19.4060 -19.3761 -19.3699 -17.8075 -17.8074 -7.8346 -7.8339 -4.6649 -4.6617 -4.4273 -4.4265 -4.1459 -4.1417 -0.0565 -0.0539 1.2284 1.2313 2.0070 2.0089 5.1202 5.1215 10.9449 10.9477 11.2178 11.2195 11.8884 11.8889 k = 0.3530-0.3042 0.6846 ( 3326 PWs) bands (ev): -47.5053 -47.5053 -22.4821 -22.4819 -19.5745 -19.5707 -19.4096 -19.4067 -19.3759 -19.3698 -17.8077 -17.8076 -7.8427 -7.8420 -4.6463 -4.6431 -4.4254 -4.4246 -4.1509 -4.1468 -0.0376 -0.0351 1.2340 1.2369 2.0056 2.0076 5.1474 5.1487 10.9203 10.9228 11.1610 11.1625 11.8690 11.8692 k = 0.3584-0.3089 0.6737 ( 3324 PWs) bands (ev): -47.5053 -47.5053 -22.4823 -22.4820 -19.5752 -19.5715 -19.4104 -19.4075 -19.3757 -19.3697 -17.8079 -17.8078 -7.8507 -7.8500 -4.6274 -4.6243 -4.4236 -4.4228 -4.1559 -4.1519 -0.0187 -0.0162 1.2393 1.2423 2.0041 2.0062 5.1746 5.1759 10.8937 10.8960 11.1033 11.1046 11.8493 11.8501 k = 0.3639-0.3136 0.6628 ( 3322 PWs) bands (ev): -47.5053 -47.5053 -22.4824 -22.4822 -19.5758 -19.5723 -19.4111 -19.4082 -19.3755 -19.3697 -17.8080 -17.8079 -7.8585 -7.8579 -4.6084 -4.6054 -4.4219 -4.4211 -4.1609 -4.1569 0.0002 0.0027 1.2445 1.2474 2.0026 2.0047 5.2018 5.2031 10.8655 10.8675 11.0451 11.0463 11.8210 11.8248 k = 0.3694-0.3183 0.6519 ( 3319 PWs) bands (ev): -47.5054 -47.5054 -22.4826 -22.4824 -19.5765 -19.5731 -19.4119 -19.4089 -19.3752 -19.3696 -17.8082 -17.8080 -7.8662 -7.8656 -4.5894 -4.5864 -4.4203 -4.4194 -4.1657 -4.1619 0.0190 0.0214 1.2493 1.2523 2.0010 2.0031 5.2289 5.2301 10.8358 10.8375 10.9869 10.9879 11.7674 11.7702 k = 0.3748-0.3231 0.6410 ( 3311 PWs) bands (ev): -47.5054 -47.5054 -22.4828 -22.4826 -19.5771 -19.5738 -19.4126 -19.4096 -19.3749 -19.3694 -17.8083 -17.8081 -7.8736 -7.8730 -4.5704 -4.5675 -4.4188 -4.4179 -4.1705 -4.1668 0.0376 0.0401 1.2540 1.2569 1.9993 2.0015 5.2557 5.2568 10.8046 10.8059 10.9295 10.9303 11.7113 11.7139 k = 0.3803-0.3278 0.6300 ( 3311 PWs) bands (ev): -47.5054 -47.5054 -22.4831 -22.4829 -19.5778 -19.5746 -19.4133 -19.4103 -19.3745 -19.3693 -17.8083 -17.8082 -7.8809 -7.8803 -4.5516 -4.5487 -4.4174 -4.4165 -4.1753 -4.1715 0.0560 0.0584 1.2584 1.2613 1.9976 1.9999 5.2821 5.2832 10.7711 10.7721 10.8740 10.8748 11.6567 11.6591 k = 0.3858-0.3325 0.6191 ( 3311 PWs) bands (ev): -47.5055 -47.5055 -22.4833 -22.4831 -19.5785 -19.5754 -19.4139 -19.4110 -19.3742 -19.3692 -17.8084 -17.8083 -7.8879 -7.8873 -4.5330 -4.5302 -4.4161 -4.4152 -4.1799 -4.1762 0.0741 0.0764 1.2625 1.2654 1.9958 1.9982 5.3081 5.3091 10.7342 10.7350 10.8222 10.8234 11.6040 11.6063 k = 0.3912-0.3372 0.6082 ( 3310 PWs) bands (ev): -47.5055 -47.5055 -22.4836 -22.4834 -19.5791 -19.5761 -19.4146 -19.4116 -19.3738 -19.3691 -17.8085 -17.8083 -7.8947 -7.8941 -4.5148 -4.5121 -4.4149 -4.4139 -4.1843 -4.1808 0.0918 0.0940 1.2665 1.2693 1.9941 1.9965 5.3335 5.3344 10.6923 10.6933 10.7765 10.7780 11.5535 11.5556 k = 0.3967-0.3419 0.5973 ( 3308 PWs) bands (ev): -47.5056 -47.5056 -22.4838 -22.4837 -19.5798 -19.5769 -19.4152 -19.4123 -19.3735 -19.3690 -17.8085 -17.8083 -7.9011 -7.9006 -4.4970 -4.4943 -4.4137 -4.4127 -4.1886 -4.1851 0.1089 0.1111 1.2701 1.2730 1.9923 1.9948 5.3581 5.3590 10.6454 10.6466 10.7376 10.7393 11.5051 11.5071 k = 0.4022-0.3466 0.5864 ( 3312 PWs) bands (ev): -47.5056 -47.5056 -22.4841 -22.4839 -19.5804 -19.5776 -19.4157 -19.4129 -19.3731 -19.3689 -17.8085 -17.8084 -7.9073 -7.9068 -4.4798 -4.4771 -4.4127 -4.4116 -4.1928 -4.1894 0.1255 0.1276 1.2735 1.2763 1.9906 1.9931 5.3820 5.3829 10.5955 10.5967 10.7042 10.7059 11.4591 11.4610 k = 0.4076-0.3513 0.5755 ( 3310 PWs) bands (ev): -47.5056 -47.5056 -22.4844 -22.4842 -19.5811 -19.5783 -19.4163 -19.4134 -19.3728 -19.3687 -17.8085 -17.8084 -7.9132 -7.9127 -4.4632 -4.4606 -4.4116 -4.4105 -4.1967 -4.1934 0.1415 0.1435 1.2767 1.2795 1.9889 1.9914 5.4049 5.4057 10.5447 10.5458 10.6747 10.6764 11.4155 11.4173 k = 0.4131-0.3560 0.5645 ( 3306 PWs) bands (ev): -47.5057 -47.5057 -22.4846 -22.4845 -19.5817 -19.5790 -19.4168 -19.4140 -19.3724 -19.3686 -17.8085 -17.8083 -7.9187 -7.9183 -4.4473 -4.4449 -4.4106 -4.4094 -4.2005 -4.1973 0.1568 0.1587 1.2797 1.2824 1.9872 1.9898 5.4269 5.4277 10.4947 10.4956 10.6480 10.6495 11.3745 11.3761 k = 0.4186-0.3607 0.5536 ( 3308 PWs) bands (ev): -47.5057 -47.5057 -22.4849 -22.4848 -19.5823 -19.5796 -19.4172 -19.4145 -19.3720 -19.3685 -17.8085 -17.8083 -7.9239 -7.9235 -4.4325 -4.4302 -4.4094 -4.4081 -4.2041 -4.2009 0.1713 0.1731 1.2824 1.2851 1.9856 1.9883 5.4477 5.4484 10.4463 10.4471 10.6234 10.6248 11.3361 11.3377 k = 0.4240-0.3655 0.5427 ( 3313 PWs) bands (ev): -47.5057 -47.5057 -22.4852 -22.4850 -19.5828 -19.5803 -19.4177 -19.4150 -19.3717 -19.3685 -17.8085 -17.8083 -7.9287 -7.9284 -4.4194 -4.4177 -4.4073 -4.4058 -4.2074 -4.2044 0.1849 0.1865 1.2848 1.2875 1.9841 1.9868 5.4673 5.4679 10.4002 10.4010 10.6008 10.6021 11.3005 11.3019 k = 0.4295-0.3702 0.5318 ( 3311 PWs) bands (ev): -47.5058 -47.5058 -22.4854 -22.4853 -19.5834 -19.5808 -19.4181 -19.4154 -19.3713 -19.3684 -17.8085 -17.8083 -7.9332 -7.9328 -4.4115 -4.4112 -4.4007 -4.3986 -4.2105 -4.2076 0.1976 0.1991 1.2871 1.2897 1.9827 1.9854 5.4856 5.4861 10.3570 10.3577 10.5800 10.5813 11.2676 11.2690 k = 0.4350-0.3749 0.5209 ( 3312 PWs) bands (ev): -47.5058 -47.5058 -22.4856 -22.4855 -19.5838 -19.5814 -19.4184 -19.4158 -19.3710 -19.3683 -17.8084 -17.8083 -7.9373 -7.9369 -4.4097 -4.4089 -4.3899 -4.3876 -4.2134 -4.2105 0.2093 0.2107 1.2891 1.2917 1.9814 1.9841 5.5024 5.5029 10.3169 10.3176 10.5611 10.5623 11.2377 11.2389 k = 0.4404-0.3796 0.5100 ( 3310 PWs) bands (ev): -47.5058 -47.5058 -22.4858 -22.4857 -19.5843 -19.5818 -19.4188 -19.4161 -19.3706 -19.3683 -17.8084 -17.8082 -7.9409 -7.9406 -4.4088 -4.4079 -4.3790 -4.3768 -4.2160 -4.2133 0.2199 0.2212 1.2909 1.2934 1.9801 1.9829 5.5177 5.5182 10.2804 10.2810 10.5440 10.5451 11.2107 11.2118 k = 0.4459-0.3843 0.4991 ( 3310 PWs) bands (ev): -47.5058 -47.5058 -22.4860 -22.4859 -19.5847 -19.5823 -19.4190 -19.4164 -19.3703 -19.3683 -17.8084 -17.8082 -7.9442 -7.9439 -4.4082 -4.4072 -4.3689 -4.3669 -4.2183 -4.2157 0.2295 0.2306 1.2925 1.2950 1.9790 1.9818 5.5315 5.5319 10.2476 10.2481 10.5288 10.5299 11.1867 11.1878 k = 0.4514-0.3890 0.4881 ( 3304 PWs) bands (ev): -47.5058 -47.5058 -22.4862 -22.4861 -19.5850 -19.5826 -19.4193 -19.4167 -19.3700 -19.3682 -17.8084 -17.8082 -7.9470 -7.9468 -4.4077 -4.4067 -4.3600 -4.3581 -4.2203 -4.2179 0.2379 0.2389 1.2938 1.2963 1.9781 1.9809 5.5435 5.5439 10.2188 10.2193 10.5156 10.5166 11.1659 11.1668 k = 0.4568-0.3937 0.4772 ( 3306 PWs) bands (ev): -47.5059 -47.5059 -22.4863 -22.4862 -19.5853 -19.5829 -19.4195 -19.4169 -19.3697 -19.3683 -17.8083 -17.8082 -7.9495 -7.9493 -4.4073 -4.4063 -4.3523 -4.3506 -4.2220 -4.2199 0.2451 0.2459 1.2950 1.2974 1.9772 1.9800 5.5539 5.5542 10.1941 10.1946 10.5043 10.5053 11.1481 11.1490 k = 0.4623-0.3984 0.4663 ( 3308 PWs) bands (ev): -47.5059 -47.5059 -22.4864 -22.4864 -19.5856 -19.5832 -19.4196 -19.4171 -19.3695 -19.3683 -17.8083 -17.8081 -7.9514 -7.9513 -4.4070 -4.4060 -4.3458 -4.3445 -4.2234 -4.2215 0.2510 0.2517 1.2959 1.2983 1.9765 1.9794 5.5624 5.5627 10.1737 10.1742 10.4950 10.4960 11.1335 11.1344 k = 0.4678-0.4032 0.4554 ( 3308 PWs) bands (ev): -47.5059 -47.5059 -22.4865 -22.4865 -19.5858 -19.5834 -19.4198 -19.4173 -19.3693 -19.3684 -17.8083 -17.8081 -7.9530 -7.9529 -4.4068 -4.4057 -4.3407 -4.3396 -4.2245 -4.2228 0.2557 0.2562 1.2966 1.2990 1.9760 1.9788 5.5691 5.5693 10.1577 10.1582 10.4877 10.4887 11.1221 11.1229 k = 0.4732-0.4079 0.4445 ( 3309 PWs) bands (ev): -47.5059 -47.5059 -22.4866 -22.4865 -19.5859 -19.5836 -19.4199 -19.4174 -19.3691 -19.3685 -17.8083 -17.8081 -7.9541 -7.9540 -4.4067 -4.4055 -4.3370 -4.3362 -4.2253 -4.2238 0.2591 0.2595 1.2971 1.2995 1.9756 1.9784 5.5740 5.5741 10.1463 10.1467 10.4825 10.4835 11.1140 11.1147 k = 0.4787-0.4126 0.4336 ( 3303 PWs) bands (ev): -47.5059 -47.5059 -22.4866 -22.4866 -19.5860 -19.5836 -19.4199 -19.4174 -19.3688 -19.3685 -17.8083 -17.8081 -7.9547 -7.9547 -4.4066 -4.4054 -4.3346 -4.3342 -4.2257 -4.2244 0.2612 0.2614 1.2975 1.2998 1.9754 1.9782 5.5769 5.5770 10.1394 10.1398 10.4793 10.4804 11.1091 11.1098 k = 0.4842-0.4173 0.4226 ( 3304 PWs) bands (ev): -47.5059 -47.5059 -22.4866 -22.4866 -19.5860 -19.5837 -19.4199 -19.4174 -19.3687 -19.3687 -17.8083 -17.8081 -7.9550 -7.9549 -4.4065 -4.4054 -4.3338 -4.3337 -4.2258 -4.2246 0.2620 0.2620 1.2976 1.2999 1.9753 1.9782 5.5779 5.5779 10.1371 10.1375 10.4783 10.4793 11.1075 11.1082 k = 0.5158 0.5665 0.0138 ( 3304 PWs) bands (ev): -47.5059 -47.5059 -22.4866 -22.4866 -19.5860 -19.5837 -19.4199 -19.4174 -19.3687 -19.3687 -17.8083 -17.8081 -7.9550 -7.9549 -4.4065 -4.4054 -4.3338 -4.3337 -4.2258 -4.2246 0.2620 0.2620 1.2976 1.2999 1.9753 1.9782 5.5779 5.5779 10.1371 10.1375 10.4783 10.4793 11.1075 11.1082 k = 0.5079 0.5733 0.0069 ( 3302 PWs) bands (ev): -47.5059 -47.5059 -22.4865 -22.4865 -19.5857 -19.5845 -19.4195 -19.4182 -19.3687 -19.3687 -17.8079 -17.8078 -7.9567 -7.9567 -4.4034 -4.4028 -4.3342 -4.3341 -4.2276 -4.2270 0.2626 0.2626 1.3058 1.3070 1.9727 1.9741 5.5784 5.5784 10.1343 10.1345 10.4989 10.4995 11.0777 11.0781 k = 0.5000 0.5801 0.0000 ( 3300 PWs) bands (ev): -47.5059 -47.5059 -22.4864 -22.4864 -19.5852 -19.5852 -19.4189 -19.4189 -19.3687 -19.3687 -17.8077 -17.8077 -7.9573 -7.9573 -4.4021 -4.4021 -4.3343 -4.3343 -4.2280 -4.2280 0.2628 0.2628 1.3090 1.3090 1.9723 1.9723 5.5786 5.5786 10.1334 10.1334 10.5066 10.5066 11.0674 11.0674 Writing output data file NaNO2.save init_run : 1.63s CPU 10.50s WALL ( 1 calls) electrons : 362.07s CPU 368.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.27s CPU 1.99s WALL ( 1 calls) Called by electrons: c_bands : 362.03s CPU 367.83s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.04s WALL ( 1 calls) v_xc : 0.08s CPU 0.61s WALL ( 1 calls) newd : 0.15s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 459 calls) cegterg : 335.24s CPU 337.84s WALL ( 832 calls) Called by sum_band: Called by *egterg: h_psi : 178.02s CPU 184.86s WALL ( 14057 calls) s_psi : 5.11s CPU 5.75s WALL ( 14057 calls) g_psi : 0.40s CPU 0.49s WALL ( 12766 calls) cdiaghg : 106.61s CPU 104.50s WALL ( 13225 calls) cegterg:over : 28.01s CPU 24.93s WALL ( 12766 calls) cegterg:upda : 3.60s CPU 6.70s WALL ( 12766 calls) cegterg:last : 3.95s CPU 4.89s WALL ( 2472 calls) Called by h_psi: h_psi:vloc : 161.10s CPU 167.33s WALL ( 14057 calls) h_psi:vnl : 16.79s CPU 17.09s WALL ( 14057 calls) add_vuspsi : 2.53s CPU 4.90s WALL ( 14057 calls) General routines calbec : 14.23s CPU 12.13s WALL ( 14057 calls) fft : 0.54s CPU 1.26s WALL ( 19 calls) ffts : 0.06s CPU 0.53s WALL ( 4 calls) fftw : 155.48s CPU 160.26s WALL ( 1002200 calls) interpolate : 0.06s CPU 0.57s WALL ( 4 calls) davcio : 0.05s CPU 1.29s WALL ( 918 calls) Parallel routines fft_scatter : 101.69s CPU 104.08s WALL ( 1002223 calls) PWSCF : 6m49.33s CPU 8m14.60s WALL This run was terminated on: 0:22:59 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=