Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:22:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ti2Pd.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 94 55 16 1935 866 138 Max 95 56 17 1938 882 140 Sum 3397 2001 581 69691 31443 5005 bravais-lattice index = 14 lattice parameter (alat) = 10.3582 a.u. unit-cell volume = 323.9085 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.358177 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.841102 celldm(5)= -0.841102 celldm(6)= 0.682204 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.682204 0.731162 0.000000 ) a(3) = ( -0.841102 -0.365581 0.398620 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.933042 1.254328 ) b(2) = ( 0.000000 1.367687 1.254328 ) b(3) = ( 0.000000 0.000000 2.508655 ) PseudoPot. # 1 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ti 12.00 47.86700 Ti( 1.00) Pd 18.00 106.42000 Pd( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0000000 0.0000000 0.0174212), wk = 0.0022727 k( 3) = ( 0.0000000 0.0000000 0.0348424), wk = 0.0022727 k( 4) = ( 0.0000000 0.0000000 0.0522636), wk = 0.0022727 k( 5) = ( 0.0000000 0.0000000 0.0696849), wk = 0.0022727 k( 6) = ( 0.0000000 0.0000000 0.0871061), wk = 0.0022727 k( 7) = ( 0.0000000 0.0000000 0.1045273), wk = 0.0022727 k( 8) = ( 0.0000000 0.0000000 0.1219485), wk = 0.0022727 k( 9) = ( 0.0000000 0.0000000 0.1393698), wk = 0.0022727 k( 10) = ( 0.0000000 0.0000000 0.1567910), wk = 0.0022727 k( 11) = ( 0.0000000 0.0000000 0.1742122), wk = 0.0022727 k( 12) = ( 0.0000000 0.0000000 0.1916334), wk = 0.0022727 k( 13) = ( 0.0000000 0.0000000 0.2090546), wk = 0.0022727 k( 14) = ( 0.0000000 0.0000000 0.2264758), wk = 0.0022727 k( 15) = ( 0.0000000 0.0000000 0.2438971), wk = 0.0022727 k( 16) = ( 0.0000000 0.0000000 0.2613183), wk = 0.0022727 k( 17) = ( 0.0000000 0.0000000 0.2787395), wk = 0.0022727 k( 18) = ( 0.0000000 0.0000000 0.2961607), wk = 0.0022727 k( 19) = ( 0.0000000 0.0000000 0.3135819), wk = 0.0022727 k( 20) = ( 0.0000000 0.0000000 0.3310031), wk = 0.0022727 k( 21) = ( 0.0000000 0.0000000 0.3484244), wk = 0.0022727 k( 22) = ( 0.0000000 0.0000000 0.3658456), wk = 0.0022727 k( 23) = ( 0.0000000 0.0000000 0.3832668), wk = 0.0022727 k( 24) = ( 0.0000000 0.0000000 0.4006880), wk = 0.0022727 k( 25) = ( 0.0000000 0.0000000 0.4181093), wk = 0.0022727 k( 26) = ( 0.0000000 0.0000000 0.4355305), wk = 0.0022727 k( 27) = ( 0.0000000 0.0000000 0.4529517), wk = 0.0022727 k( 28) = ( 0.0000000 0.0000000 0.4703729), wk = 0.0022727 k( 29) = ( 0.0000000 0.0000000 0.4877941), wk = 0.0022727 k( 30) = ( 0.0000000 0.0000000 0.5052153), wk = 0.0022727 k( 31) = ( 0.0000000 0.0000000 0.5226366), wk = 0.0022727 k( 32) = ( 0.0000000 0.0000000 0.5400578), wk = 0.0022727 k( 33) = ( 0.0000000 0.0000000 0.5574790), wk = 0.0022727 k( 34) = ( 0.0000000 0.0000000 0.5749002), wk = 0.0022727 k( 35) = ( 0.0000000 0.0000000 0.5923214), wk = 0.0022727 k( 36) = ( 0.0000000 0.0000000 0.6097427), wk = 0.0022727 k( 37) = ( 0.0000000 0.0000000 0.6271639), wk = 0.0022727 k( 38) = ( 0.0000000 0.0000000 0.6445851), wk = 0.0022727 k( 39) = ( 0.0000000 0.0000000 0.6620063), wk = 0.0022727 k( 40) = ( 0.0000000 0.0000000 0.6794275), wk = 0.0022727 k( 41) = ( 0.0000000 0.0000000 0.6968488), wk = 0.0022727 k( 42) = ( 0.0000000 0.0000000 0.7142700), wk = 0.0022727 k( 43) = ( 0.0000000 0.0000000 0.7316912), wk = 0.0022727 k( 44) = ( 0.0000000 0.0000000 0.7491124), wk = 0.0022727 k( 45) = ( 0.0000000 0.0000000 0.7665336), wk = 0.0022727 k( 46) = ( 0.0000000 0.0000000 0.7839548), wk = 0.0022727 k( 47) = ( 0.0000000 0.0000000 0.8013760), wk = 0.0022727 k( 48) = ( 0.0000000 0.0000000 0.8187973), wk = 0.0022727 k( 49) = ( 0.0000000 0.0000000 0.8362185), wk = 0.0022727 k( 50) = ( 0.0000000 0.0000000 0.8536397), wk = 0.0022727 k( 51) = ( 0.0000000 0.0000000 0.8710609), wk = 0.0022727 k( 52) = ( 0.0000000 0.0000000 0.8884822), wk = 0.0022727 k( 53) = ( 0.0000000 0.0000000 0.9059034), wk = 0.0022727 k( 54) = ( 0.0000000 0.0000000 0.9233246), wk = 0.0022727 k( 55) = ( 0.0000000 0.0000000 0.9407458), wk = 0.0022727 k( 56) = ( 0.0000000 0.0000000 0.9581670), wk = 0.0022727 k( 57) = ( 0.0000000 0.0000000 0.9755883), wk = 0.0022727 k( 58) = ( 0.0000000 0.0000000 0.9930095), wk = 0.0022727 k( 59) = ( 0.0000000 0.0000000 1.0104307), wk = 0.0022727 k( 60) = ( 0.0000000 0.0000000 1.0278519), wk = 0.0022727 k( 61) = ( 0.0000000 0.0000000 1.0452731), wk = 0.0022727 k( 62) = ( 0.0000000 0.0000000 1.0626943), wk = 0.0022727 k( 63) = ( 0.0000000 0.0000000 1.0801156), wk = 0.0022727 k( 64) = ( 0.0000000 0.0000000 1.0975368), wk = 0.0022727 k( 65) = ( 0.0000000 0.0000000 1.1149580), wk = 0.0022727 k( 66) = ( 0.0000000 0.0000000 1.1323792), wk = 0.0022727 k( 67) = ( 0.0000000 0.0000000 1.1498004), wk = 0.0022727 k( 68) = ( 0.0000000 0.0000000 1.1672217), wk = 0.0022727 k( 69) = ( 0.0000000 0.0000000 1.1846429), wk = 0.0022727 k( 70) = ( 0.0000000 0.0000000 1.2020641), wk = 0.0022727 k( 71) = ( 0.0000000 0.0000000 1.2194853), wk = 0.0022727 k( 72) = ( 0.0000000 0.0000000 1.2369065), wk = 0.0022727 k( 73) = ( 0.0000000 0.0000000 1.2543277), wk = 0.0022727 k( 74) = ( 0.0000000 0.0000000 1.2543277), wk = 0.0022727 k( 75) = ( -0.0067470 0.0155230 1.2543277), wk = 0.0022727 k( 76) = ( -0.0134940 0.0310461 1.2543277), wk = 0.0022727 k( 77) = ( -0.0202410 0.0465691 1.2543277), wk = 0.0022727 k( 78) = ( -0.0269880 0.0620921 1.2543277), wk = 0.0022727 k( 79) = ( -0.0337350 0.0776152 1.2543277), wk = 0.0022727 k( 80) = ( -0.0404820 0.0931382 1.2543277), wk = 0.0022727 k( 81) = ( -0.0472291 0.1086612 1.2543277), wk = 0.0022727 k( 82) = ( -0.0472291 0.1086612 1.2543277), wk = 0.0022727 k( 83) = ( -0.0520458 0.1197432 1.2422443), wk = 0.0022727 k( 84) = ( -0.0568625 0.1308251 1.2301608), wk = 0.0022727 k( 85) = ( -0.0616792 0.1419071 1.2180773), wk = 0.0022727 k( 86) = ( -0.0664959 0.1529890 1.2059939), wk = 0.0022727 k( 87) = ( -0.0713126 0.1640710 1.1939104), wk = 0.0022727 k( 88) = ( -0.0761293 0.1751529 1.1818269), wk = 0.0022727 k( 89) = ( -0.0809460 0.1862349 1.1697434), wk = 0.0022727 k( 90) = ( -0.0857627 0.1973168 1.1576600), wk = 0.0022727 k( 91) = ( -0.0905795 0.2083988 1.1455765), wk = 0.0022727 k( 92) = ( -0.0953962 0.2194807 1.1334930), wk = 0.0022727 k( 93) = ( -0.1002129 0.2305626 1.1214096), wk = 0.0022727 k( 94) = ( -0.1050296 0.2416446 1.1093261), wk = 0.0022727 k( 95) = ( -0.1098463 0.2527266 1.0972426), wk = 0.0022727 k( 96) = ( -0.1146630 0.2638085 1.0851591), wk = 0.0022727 k( 97) = ( -0.1194797 0.2748904 1.0730757), wk = 0.0022727 k( 98) = ( -0.1242964 0.2859724 1.0609922), wk = 0.0022727 k( 99) = ( -0.1291132 0.2970543 1.0489087), wk = 0.0022727 k( 100) = ( -0.1339299 0.3081363 1.0368253), wk = 0.0022727 k( 101) = ( -0.1387466 0.3192182 1.0247418), wk = 0.0022727 k( 102) = ( -0.1435633 0.3303002 1.0126583), wk = 0.0022727 k( 103) = ( -0.1483800 0.3413821 1.0005748), wk = 0.0022727 k( 104) = ( -0.1531967 0.3524641 0.9884914), wk = 0.0022727 k( 105) = ( -0.1580134 0.3635460 0.9764079), wk = 0.0022727 k( 106) = ( -0.1628301 0.3746280 0.9643244), wk = 0.0022727 k( 107) = ( -0.1676469 0.3857099 0.9522409), wk = 0.0022727 k( 108) = ( -0.1724636 0.3967919 0.9401575), wk = 0.0022727 k( 109) = ( -0.1772803 0.4078738 0.9280740), wk = 0.0022727 k( 110) = ( -0.1820970 0.4189558 0.9159905), wk = 0.0022727 k( 111) = ( -0.1869137 0.4300377 0.9039071), wk = 0.0022727 k( 112) = ( -0.1917304 0.4411197 0.8918236), wk = 0.0022727 k( 113) = ( -0.1965471 0.4522016 0.8797401), wk = 0.0022727 k( 114) = ( -0.2013638 0.4632836 0.8676567), wk = 0.0022727 k( 115) = ( -0.2061805 0.4743655 0.8555732), wk = 0.0022727 k( 116) = ( -0.2109973 0.4854475 0.8434897), wk = 0.0022727 k( 117) = ( -0.2158140 0.4965294 0.8314062), wk = 0.0022727 k( 118) = ( -0.2206307 0.5076114 0.8193228), wk = 0.0022727 k( 119) = ( -0.2254474 0.5186933 0.8072393), wk = 0.0022727 k( 120) = ( -0.2302641 0.5297752 0.7951558), wk = 0.0022727 k( 121) = ( -0.2350808 0.5408572 0.7830723), wk = 0.0022727 k( 122) = ( -0.2398975 0.5519391 0.7709889), wk = 0.0022727 k( 123) = ( -0.2447142 0.5630211 0.7589054), wk = 0.0022727 k( 124) = ( -0.2495310 0.5741030 0.7468219), wk = 0.0022727 k( 125) = ( -0.2543477 0.5851850 0.7347385), wk = 0.0022727 k( 126) = ( -0.2591644 0.5962669 0.7226550), wk = 0.0022727 k( 127) = ( -0.2639811 0.6073489 0.7105715), wk = 0.0022727 k( 128) = ( -0.2687978 0.6184308 0.6984881), wk = 0.0022727 k( 129) = ( -0.2736145 0.6295128 0.6864046), wk = 0.0022727 k( 130) = ( -0.2736145 0.6295128 0.6864046), wk = 0.0022727 k( 131) = ( -0.2687286 0.6182715 0.6741474), wk = 0.0022727 k( 132) = ( -0.2638426 0.6070302 0.6618901), wk = 0.0022727 k( 133) = ( -0.2589566 0.5957889 0.6496329), wk = 0.0022727 k( 134) = ( -0.2540706 0.5845476 0.6373757), wk = 0.0022727 k( 135) = ( -0.2491847 0.5733063 0.6251185), wk = 0.0022727 k( 136) = ( -0.2442987 0.5620650 0.6128612), wk = 0.0022727 k( 137) = ( -0.2394127 0.5508237 0.6006040), wk = 0.0022727 k( 138) = ( -0.2345267 0.5395824 0.5883468), wk = 0.0022727 k( 139) = ( -0.2296408 0.5283411 0.5760896), wk = 0.0022727 k( 140) = ( -0.2247548 0.5170998 0.5638323), wk = 0.0022727 k( 141) = ( -0.2198688 0.5058585 0.5515751), wk = 0.0022727 k( 142) = ( -0.2149828 0.4946172 0.5393179), wk = 0.0022727 k( 143) = ( -0.2100969 0.4833759 0.5270607), wk = 0.0022727 k( 144) = ( -0.2052109 0.4721346 0.5148034), wk = 0.0022727 k( 145) = ( -0.2003249 0.4608933 0.5025462), wk = 0.0022727 k( 146) = ( -0.1954390 0.4496520 0.4902890), wk = 0.0022727 k( 147) = ( -0.1905530 0.4384107 0.4780318), wk = 0.0022727 k( 148) = ( -0.1856670 0.4271694 0.4657745), wk = 0.0022727 k( 149) = ( -0.1807810 0.4159281 0.4535173), wk = 0.0022727 k( 150) = ( -0.1758950 0.4046868 0.4412601), wk = 0.0022727 k( 151) = ( -0.1710091 0.3934455 0.4290029), wk = 0.0022727 k( 152) = ( -0.1661231 0.3822042 0.4167456), wk = 0.0022727 k( 153) = ( -0.1612371 0.3709629 0.4044884), wk = 0.0022727 k( 154) = ( -0.1563512 0.3597216 0.3922312), wk = 0.0022727 k( 155) = ( -0.1514652 0.3484803 0.3799740), wk = 0.0022727 k( 156) = ( -0.1465792 0.3372390 0.3677167), wk = 0.0022727 k( 157) = ( -0.1416932 0.3259977 0.3554595), wk = 0.0022727 k( 158) = ( -0.1368073 0.3147564 0.3432023), wk = 0.0022727 k( 159) = ( -0.1319213 0.3035151 0.3309451), wk = 0.0022727 k( 160) = ( -0.1270353 0.2922738 0.3186878), wk = 0.0022727 k( 161) = ( -0.1221493 0.2810325 0.3064306), wk = 0.0022727 k( 162) = ( -0.1172634 0.2697912 0.2941734), wk = 0.0022727 k( 163) = ( -0.1123774 0.2585499 0.2819162), wk = 0.0022727 k( 164) = ( -0.1074914 0.2473086 0.2696589), wk = 0.0022727 k( 165) = ( -0.1026055 0.2360673 0.2574017), wk = 0.0022727 k( 166) = ( -0.0977195 0.2248260 0.2451445), wk = 0.0022727 k( 167) = ( -0.0928335 0.2135847 0.2328873), wk = 0.0022727 k( 168) = ( -0.0879475 0.2023434 0.2206301), wk = 0.0022727 k( 169) = ( -0.0830615 0.1911021 0.2083728), wk = 0.0022727 k( 170) = ( -0.0781756 0.1798608 0.1961156), wk = 0.0022727 k( 171) = ( -0.0732896 0.1686195 0.1838584), wk = 0.0022727 k( 172) = ( -0.0684036 0.1573782 0.1716011), wk = 0.0022727 k( 173) = ( -0.0635177 0.1461369 0.1593439), wk = 0.0022727 k( 174) = ( -0.0586317 0.1348956 0.1470867), wk = 0.0022727 k( 175) = ( -0.0537457 0.1236543 0.1348295), wk = 0.0022727 k( 176) = ( -0.0488597 0.1124130 0.1225723), wk = 0.0022727 k( 177) = ( -0.0439738 0.1011717 0.1103150), wk = 0.0022727 k( 178) = ( -0.0390878 0.0899304 0.0980578), wk = 0.0022727 k( 179) = ( -0.0342018 0.0786891 0.0858006), wk = 0.0022727 k( 180) = ( -0.0293158 0.0674478 0.0735433), wk = 0.0022727 k( 181) = ( -0.0244299 0.0562065 0.0612861), wk = 0.0022727 k( 182) = ( -0.0195439 0.0449652 0.0490289), wk = 0.0022727 k( 183) = ( -0.0146579 0.0337239 0.0367717), wk = 0.0022727 k( 184) = ( -0.0097719 0.0224826 0.0245145), wk = 0.0022727 k( 185) = ( -0.0048860 0.0112413 0.0122572), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 188) = ( 0.0156250 0.0067913 -0.0000000), wk = 0.0022727 k( 189) = ( 0.0312500 0.0135827 -0.0000000), wk = 0.0022727 k( 190) = ( 0.0468750 0.0203740 -0.0000000), wk = 0.0022727 k( 191) = ( 0.0625000 0.0271653 -0.0000000), wk = 0.0022727 k( 192) = ( 0.0781250 0.0339566 -0.0000000), wk = 0.0022727 k( 193) = ( 0.0937500 0.0407480 -0.0000000), wk = 0.0022727 k( 194) = ( 0.1093750 0.0475393 -0.0000000), wk = 0.0022727 k( 195) = ( 0.1250000 0.0543306 -0.0000000), wk = 0.0022727 k( 196) = ( 0.1406250 0.0611219 -0.0000000), wk = 0.0022727 k( 197) = ( 0.1562500 0.0679133 -0.0000000), wk = 0.0022727 k( 198) = ( 0.1718750 0.0747046 -0.0000000), wk = 0.0022727 k( 199) = ( 0.1875000 0.0814959 -0.0000000), wk = 0.0022727 k( 200) = ( 0.2031250 0.0882872 -0.0000000), wk = 0.0022727 k( 201) = ( 0.2187500 0.0950786 -0.0000000), wk = 0.0022727 k( 202) = ( 0.2343750 0.1018699 -0.0000000), wk = 0.0022727 k( 203) = ( 0.2500000 0.1086612 -0.0000000), wk = 0.0022727 k( 204) = ( 0.2656250 0.1154526 -0.0000000), wk = 0.0022727 k( 205) = ( 0.2812500 0.1222439 -0.0000000), wk = 0.0022727 k( 206) = ( 0.2968750 0.1290352 -0.0000000), wk = 0.0022727 k( 207) = ( 0.3125000 0.1358265 -0.0000000), wk = 0.0022727 k( 208) = ( 0.3281250 0.1426179 -0.0000000), wk = 0.0022727 k( 209) = ( 0.3437500 0.1494092 -0.0000000), wk = 0.0022727 k( 210) = ( 0.3593750 0.1562005 -0.0000000), wk = 0.0022727 k( 211) = ( 0.3750000 0.1629918 -0.0000000), wk = 0.0022727 k( 212) = ( 0.3906250 0.1697832 -0.0000000), wk = 0.0022727 k( 213) = ( 0.4062500 0.1765745 -0.0000000), wk = 0.0022727 k( 214) = ( 0.4218750 0.1833658 -0.0000000), wk = 0.0022727 k( 215) = ( 0.4375000 0.1901571 -0.0000000), wk = 0.0022727 k( 216) = ( 0.4531250 0.1969485 -0.0000000), wk = 0.0022727 k( 217) = ( 0.4687500 0.2037398 -0.0000000), wk = 0.0022727 k( 218) = ( 0.4843750 0.2105311 -0.0000000), wk = 0.0022727 k( 219) = ( 0.5000000 0.2173225 -0.0000000), wk = 0.0022727 k( 220) = ( 0.5000000 0.2173225 -0.0000000), wk = 0.0022727 k( 221) = ( 0.4951833 0.2284044 0.0120835), wk = 0.0022727 k( 222) = ( 0.4903666 0.2394863 0.0241669), wk = 0.0022727 k( 223) = ( 0.4855499 0.2505683 0.0362504), wk = 0.0022727 k( 224) = ( 0.4807331 0.2616502 0.0483339), wk = 0.0022727 k( 225) = ( 0.4759164 0.2727322 0.0604174), wk = 0.0022727 k( 226) = ( 0.4710997 0.2838141 0.0725008), wk = 0.0022727 k( 227) = ( 0.4662830 0.2948961 0.0845843), wk = 0.0022727 k( 228) = ( 0.4614663 0.3059780 0.0966678), wk = 0.0022727 k( 229) = ( 0.4566496 0.3170600 0.1087512), wk = 0.0022727 k( 230) = ( 0.4518329 0.3281419 0.1208347), wk = 0.0022727 k( 231) = ( 0.4470162 0.3392239 0.1329182), wk = 0.0022727 k( 232) = ( 0.4421994 0.3503058 0.1450017), wk = 0.0022727 k( 233) = ( 0.4373827 0.3613878 0.1570851), wk = 0.0022727 k( 234) = ( 0.4325660 0.3724697 0.1691686), wk = 0.0022727 k( 235) = ( 0.4277493 0.3835517 0.1812521), wk = 0.0022727 k( 236) = ( 0.4229326 0.3946336 0.1933356), wk = 0.0022727 k( 237) = ( 0.4181159 0.4057156 0.2054190), wk = 0.0022727 k( 238) = ( 0.4132992 0.4167975 0.2175025), wk = 0.0022727 k( 239) = ( 0.4084825 0.4278795 0.2295860), wk = 0.0022727 k( 240) = ( 0.4036658 0.4389614 0.2416694), wk = 0.0022727 k( 241) = ( 0.3988490 0.4500434 0.2537529), wk = 0.0022727 k( 242) = ( 0.3940323 0.4611253 0.2658364), wk = 0.0022727 k( 243) = ( 0.3892156 0.4722073 0.2779198), wk = 0.0022727 k( 244) = ( 0.3843989 0.4832892 0.2900033), wk = 0.0022727 k( 245) = ( 0.3795822 0.4943712 0.3020868), wk = 0.0022727 k( 246) = ( 0.3747655 0.5054531 0.3141703), wk = 0.0022727 k( 247) = ( 0.3699488 0.5165350 0.3262537), wk = 0.0022727 k( 248) = ( 0.3651321 0.5276170 0.3383372), wk = 0.0022727 k( 249) = ( 0.3603153 0.5386990 0.3504207), wk = 0.0022727 k( 250) = ( 0.3554986 0.5497809 0.3625042), wk = 0.0022727 k( 251) = ( 0.3506819 0.5608628 0.3745876), wk = 0.0022727 k( 252) = ( 0.3458652 0.5719448 0.3866711), wk = 0.0022727 k( 253) = ( 0.3410485 0.5830267 0.3987546), wk = 0.0022727 k( 254) = ( 0.3362318 0.5941087 0.4108380), wk = 0.0022727 k( 255) = ( 0.3314151 0.6051906 0.4229215), wk = 0.0022727 k( 256) = ( 0.3265984 0.6162726 0.4350050), wk = 0.0022727 k( 257) = ( 0.3217816 0.6273545 0.4470884), wk = 0.0022727 k( 258) = ( 0.3169649 0.6384365 0.4591719), wk = 0.0022727 k( 259) = ( 0.3121482 0.6495184 0.4712554), wk = 0.0022727 k( 260) = ( 0.3073315 0.6606004 0.4833389), wk = 0.0022727 k( 261) = ( 0.3025148 0.6716823 0.4954223), wk = 0.0022727 k( 262) = ( 0.2976981 0.6827643 0.5075058), wk = 0.0022727 k( 263) = ( 0.2928814 0.6938462 0.5195893), wk = 0.0022727 k( 264) = ( 0.2880647 0.7049282 0.5316728), wk = 0.0022727 k( 265) = ( 0.2832480 0.7160101 0.5437562), wk = 0.0022727 k( 266) = ( 0.2784312 0.7270921 0.5558397), wk = 0.0022727 k( 267) = ( 0.2736145 0.7381740 0.5679232), wk = 0.0022727 k( 268) = ( 0.2736145 0.7381740 0.5679232), wk = 0.0022727 k( 269) = ( 0.2575195 0.7349781 0.5714079), wk = 0.0022727 k( 270) = ( 0.2414246 0.7317822 0.5748927), wk = 0.0022727 k( 271) = ( 0.2253296 0.7285863 0.5783774), wk = 0.0022727 k( 272) = ( 0.2092346 0.7253903 0.5818621), wk = 0.0022727 k( 273) = ( 0.1931397 0.7221944 0.5853469), wk = 0.0022727 k( 274) = ( 0.1770447 0.7189985 0.5888317), wk = 0.0022727 k( 275) = ( 0.1609497 0.7158026 0.5923164), wk = 0.0022727 k( 276) = ( 0.1448548 0.7126067 0.5958011), wk = 0.0022727 k( 277) = ( 0.1287598 0.7094107 0.5992859), wk = 0.0022727 k( 278) = ( 0.1126648 0.7062148 0.6027706), wk = 0.0022727 k( 279) = ( 0.0965698 0.7030189 0.6062554), wk = 0.0022727 k( 280) = ( 0.0804749 0.6998230 0.6097401), wk = 0.0022727 k( 281) = ( 0.0643799 0.6966271 0.6132249), wk = 0.0022727 k( 282) = ( 0.0482849 0.6934311 0.6167096), wk = 0.0022727 k( 283) = ( 0.0321899 0.6902352 0.6201944), wk = 0.0022727 k( 284) = ( 0.0160950 0.6870393 0.6236791), wk = 0.0022727 k( 285) = ( 0.0000000 0.6838434 0.6271639), wk = 0.0022727 k( 286) = ( 0.0000000 0.6838434 0.6271639), wk = 0.0022727 k( 287) = ( 0.0049020 0.6725653 0.6394612), wk = 0.0022727 k( 288) = ( 0.0098039 0.6612872 0.6517585), wk = 0.0022727 k( 289) = ( 0.0147059 0.6500092 0.6640559), wk = 0.0022727 k( 290) = ( 0.0196078 0.6387311 0.6763532), wk = 0.0022727 k( 291) = ( 0.0245098 0.6274530 0.6886505), wk = 0.0022727 k( 292) = ( 0.0294118 0.6161749 0.7009478), wk = 0.0022727 k( 293) = ( 0.0343137 0.6048968 0.7132452), wk = 0.0022727 k( 294) = ( 0.0392157 0.5936187 0.7255425), wk = 0.0022727 k( 295) = ( 0.0441177 0.5823407 0.7378399), wk = 0.0022727 k( 296) = ( 0.0490196 0.5710626 0.7501372), wk = 0.0022727 k( 297) = ( 0.0539216 0.5597845 0.7624345), wk = 0.0022727 k( 298) = ( 0.0588235 0.5485064 0.7747318), wk = 0.0022727 k( 299) = ( 0.0637255 0.5372283 0.7870292), wk = 0.0022727 k( 300) = ( 0.0686275 0.5259503 0.7993265), wk = 0.0022727 k( 301) = ( 0.0735294 0.5146722 0.8116238), wk = 0.0022727 k( 302) = ( 0.0784314 0.5033941 0.8239212), wk = 0.0022727 k( 303) = ( 0.0833333 0.4921160 0.8362185), wk = 0.0022727 k( 304) = ( 0.0882353 0.4808379 0.8485158), wk = 0.0022727 k( 305) = ( 0.0931373 0.4695599 0.8608131), wk = 0.0022727 k( 306) = ( 0.0980392 0.4582817 0.8731105), wk = 0.0022727 k( 307) = ( 0.1029412 0.4470037 0.8854078), wk = 0.0022727 k( 308) = ( 0.1078431 0.4357256 0.8977052), wk = 0.0022727 k( 309) = ( 0.1127451 0.4244475 0.9100025), wk = 0.0022727 k( 310) = ( 0.1176471 0.4131694 0.9222998), wk = 0.0022727 k( 311) = ( 0.1225490 0.4018914 0.9345971), wk = 0.0022727 k( 312) = ( 0.1274510 0.3906133 0.9468945), wk = 0.0022727 k( 313) = ( 0.1323529 0.3793352 0.9591918), wk = 0.0022727 k( 314) = ( 0.1372549 0.3680571 0.9714891), wk = 0.0022727 k( 315) = ( 0.1421569 0.3567790 0.9837865), wk = 0.0022727 k( 316) = ( 0.1470588 0.3455010 0.9960838), wk = 0.0022727 k( 317) = ( 0.1519608 0.3342229 1.0083811), wk = 0.0022727 k( 318) = ( 0.1568627 0.3229448 1.0206785), wk = 0.0022727 k( 319) = ( 0.1617647 0.3116667 1.0329758), wk = 0.0022727 k( 320) = ( 0.1666667 0.3003886 1.0452731), wk = 0.0022727 k( 321) = ( 0.1715686 0.2891105 1.0575705), wk = 0.0022727 k( 322) = ( 0.1764706 0.2778324 1.0698678), wk = 0.0022727 k( 323) = ( 0.1813725 0.2665544 1.0821651), wk = 0.0022727 k( 324) = ( 0.1862745 0.2552763 1.0944624), wk = 0.0022727 k( 325) = ( 0.1911765 0.2439982 1.1067598), wk = 0.0022727 k( 326) = ( 0.1960784 0.2327201 1.1190571), wk = 0.0022727 k( 327) = ( 0.2009804 0.2214420 1.1313544), wk = 0.0022727 k( 328) = ( 0.2058823 0.2101640 1.1436518), wk = 0.0022727 k( 329) = ( 0.2107843 0.1988859 1.1559491), wk = 0.0022727 k( 330) = ( 0.2156863 0.1876078 1.1682464), wk = 0.0022727 k( 331) = ( 0.2205882 0.1763297 1.1805438), wk = 0.0022727 k( 332) = ( 0.2254902 0.1650516 1.1928411), wk = 0.0022727 k( 333) = ( 0.2303922 0.1537735 1.2051384), wk = 0.0022727 k( 334) = ( 0.2352941 0.1424955 1.2174358), wk = 0.0022727 k( 335) = ( 0.2401961 0.1312174 1.2297331), wk = 0.0022727 k( 336) = ( 0.2450980 0.1199393 1.2420304), wk = 0.0022727 k( 337) = ( 0.2500000 0.1086612 1.2543277), wk = 0.0022727 k( 338) = ( 0.2500000 0.1086612 1.2543277), wk = 0.0022727 k( 339) = ( 0.2638889 0.1146980 1.2477455), wk = 0.0022727 k( 340) = ( 0.2777778 0.1207347 1.2411632), wk = 0.0022727 k( 341) = ( 0.2916667 0.1267714 1.2345809), wk = 0.0022727 k( 342) = ( 0.3055556 0.1328082 1.2279986), wk = 0.0022727 k( 343) = ( 0.3194444 0.1388449 1.2214162), wk = 0.0022727 k( 344) = ( 0.3333333 0.1448816 1.2148339), wk = 0.0022727 k( 345) = ( 0.3472222 0.1509184 1.2082516), wk = 0.0022727 k( 346) = ( 0.3611111 0.1569551 1.2016693), wk = 0.0022727 k( 347) = ( 0.3750000 0.1629918 1.1950871), wk = 0.0022727 k( 348) = ( 0.3888889 0.1690286 1.1885047), wk = 0.0022727 k( 349) = ( 0.4027778 0.1750653 1.1819225), wk = 0.0022727 k( 350) = ( 0.4166667 0.1811020 1.1753401), wk = 0.0022727 k( 351) = ( 0.4305556 0.1871388 1.1687579), wk = 0.0022727 k( 352) = ( 0.4444444 0.1931755 1.1621755), wk = 0.0022727 k( 353) = ( 0.4583333 0.1992122 1.1555932), wk = 0.0022727 k( 354) = ( 0.4722222 0.2052490 1.1490109), wk = 0.0022727 k( 355) = ( 0.4861111 0.2112857 1.1424286), wk = 0.0022727 k( 356) = ( 0.5000000 0.2173225 1.1358463), wk = 0.0022727 k( 357) = ( 0.5000000 0.2173225 1.1358463), wk = 0.0022727 k( 358) = ( 0.5000000 0.2173225 1.1186366), wk = 0.0022727 k( 359) = ( 0.5000000 0.2173225 1.1014268), wk = 0.0022727 k( 360) = ( 0.5000000 0.2173225 1.0842169), wk = 0.0022727 k( 361) = ( 0.5000000 0.2173225 1.0670072), wk = 0.0022727 k( 362) = ( 0.5000000 0.2173225 1.0497974), wk = 0.0022727 k( 363) = ( 0.5000000 0.2173225 1.0325876), wk = 0.0022727 k( 364) = ( 0.5000000 0.2173225 1.0153778), wk = 0.0022727 k( 365) = ( 0.5000000 0.2173225 0.9981680), wk = 0.0022727 k( 366) = ( 0.5000000 0.2173225 0.9809582), wk = 0.0022727 k( 367) = ( 0.5000000 0.2173225 0.9637484), wk = 0.0022727 k( 368) = ( 0.5000000 0.2173225 0.9465386), wk = 0.0022727 k( 369) = ( 0.5000000 0.2173225 0.9293288), wk = 0.0022727 k( 370) = ( 0.5000000 0.2173225 0.9121190), wk = 0.0022727 k( 371) = ( 0.5000000 0.2173225 0.8949092), wk = 0.0022727 k( 372) = ( 0.5000000 0.2173225 0.8776994), wk = 0.0022727 k( 373) = ( 0.5000000 0.2173225 0.8604897), wk = 0.0022727 k( 374) = ( 0.5000000 0.2173225 0.8432799), wk = 0.0022727 k( 375) = ( 0.5000000 0.2173225 0.8260701), wk = 0.0022727 k( 376) = ( 0.5000000 0.2173225 0.8088603), wk = 0.0022727 k( 377) = ( 0.5000000 0.2173225 0.7916505), wk = 0.0022727 k( 378) = ( 0.5000000 0.2173225 0.7744407), wk = 0.0022727 k( 379) = ( 0.5000000 0.2173225 0.7572309), wk = 0.0022727 k( 380) = ( 0.5000000 0.2173225 0.7400211), wk = 0.0022727 k( 381) = ( 0.5000000 0.2173225 0.7228113), wk = 0.0022727 k( 382) = ( 0.5000000 0.2173225 0.7056015), wk = 0.0022727 k( 383) = ( 0.5000000 0.2173225 0.6883917), wk = 0.0022727 k( 384) = ( 0.5000000 0.2173225 0.6711819), wk = 0.0022727 k( 385) = ( 0.5000000 0.2173225 0.6539721), wk = 0.0022727 k( 386) = ( 0.5000000 0.2173225 0.6367623), wk = 0.0022727 k( 387) = ( 0.5000000 0.2173225 0.6195525), wk = 0.0022727 k( 388) = ( 0.5000000 0.2173225 0.6023428), wk = 0.0022727 k( 389) = ( 0.5000000 0.2173225 0.5851330), wk = 0.0022727 k( 390) = ( 0.5000000 0.2173225 0.5679232), wk = 0.0022727 k( 391) = ( 0.5000000 0.2173225 0.5507134), wk = 0.0022727 k( 392) = ( 0.5000000 0.2173225 0.5335036), wk = 0.0022727 k( 393) = ( 0.5000000 0.2173225 0.5162938), wk = 0.0022727 k( 394) = ( 0.5000000 0.2173225 0.4990840), wk = 0.0022727 k( 395) = ( 0.5000000 0.2173225 0.4818742), wk = 0.0022727 k( 396) = ( 0.5000000 0.2173225 0.4646644), wk = 0.0022727 k( 397) = ( 0.5000000 0.2173225 0.4474546), wk = 0.0022727 k( 398) = ( 0.5000000 0.2173225 0.4302448), wk = 0.0022727 k( 399) = ( 0.5000000 0.2173225 0.4130350), wk = 0.0022727 k( 400) = ( 0.5000000 0.2173225 0.3958252), wk = 0.0022727 k( 401) = ( 0.5000000 0.2173225 0.3786154), wk = 0.0022727 k( 402) = ( 0.5000000 0.2173225 0.3614056), wk = 0.0022727 k( 403) = ( 0.5000000 0.2173225 0.3441959), wk = 0.0022727 k( 404) = ( 0.5000000 0.2173225 0.3269861), wk = 0.0022727 k( 405) = ( 0.5000000 0.2173225 0.3097763), wk = 0.0022727 k( 406) = ( 0.5000000 0.2173225 0.2925665), wk = 0.0022727 k( 407) = ( 0.5000000 0.2173225 0.2753567), wk = 0.0022727 k( 408) = ( 0.5000000 0.2173225 0.2581469), wk = 0.0022727 k( 409) = ( 0.5000000 0.2173225 0.2409371), wk = 0.0022727 k( 410) = ( 0.5000000 0.2173225 0.2237273), wk = 0.0022727 k( 411) = ( 0.5000000 0.2173225 0.2065175), wk = 0.0022727 k( 412) = ( 0.5000000 0.2173225 0.1893077), wk = 0.0022727 k( 413) = ( 0.5000000 0.2173225 0.1720979), wk = 0.0022727 k( 414) = ( 0.5000000 0.2173225 0.1548881), wk = 0.0022727 k( 415) = ( 0.5000000 0.2173225 0.1376784), wk = 0.0022727 k( 416) = ( 0.5000000 0.2173225 0.1204685), wk = 0.0022727 k( 417) = ( 0.5000000 0.2173225 0.1032588), wk = 0.0022727 k( 418) = ( 0.5000000 0.2173225 0.0860490), wk = 0.0022727 k( 419) = ( 0.5000000 0.2173225 0.0688392), wk = 0.0022727 k( 420) = ( 0.5000000 0.2173225 0.0516294), wk = 0.0022727 k( 421) = ( 0.5000000 0.2173225 0.0344196), wk = 0.0022727 k( 422) = ( 0.5000000 0.2173225 0.0172098), wk = 0.0022727 k( 423) = ( 0.5000000 0.2173225 -0.0000000), wk = 0.0022727 k( 424) = ( 0.0000000 0.0000000 1.2543277), wk = 0.0022727 k( 425) = ( 0.0156250 0.0067913 1.2543277), wk = 0.0022727 k( 426) = ( 0.0312500 0.0135827 1.2543277), wk = 0.0022727 k( 427) = ( 0.0468750 0.0203740 1.2543277), wk = 0.0022727 k( 428) = ( 0.0625000 0.0271653 1.2543277), wk = 0.0022727 k( 429) = ( 0.0781250 0.0339566 1.2543277), wk = 0.0022727 k( 430) = ( 0.0937500 0.0407480 1.2543277), wk = 0.0022727 k( 431) = ( 0.1093750 0.0475393 1.2543277), wk = 0.0022727 k( 432) = ( 0.1250000 0.0543306 1.2543277), wk = 0.0022727 k( 433) = ( 0.1406250 0.0611219 1.2543277), wk = 0.0022727 k( 434) = ( 0.1562500 0.0679133 1.2543277), wk = 0.0022727 k( 435) = ( 0.1718750 0.0747046 1.2543277), wk = 0.0022727 k( 436) = ( 0.1875000 0.0814959 1.2543277), wk = 0.0022727 k( 437) = ( 0.2031250 0.0882872 1.2543277), wk = 0.0022727 k( 438) = ( 0.2187500 0.0950786 1.2543277), wk = 0.0022727 k( 439) = ( 0.2343750 0.1018699 1.2543277), wk = 0.0022727 k( 440) = ( 0.2500000 0.1086612 1.2543277), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0000000 0.0000000 0.0069444), wk = 0.0022727 k( 3) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0022727 k( 4) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0022727 k( 5) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0022727 k( 6) = ( 0.0000000 0.0000000 0.0347222), wk = 0.0022727 k( 7) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0022727 k( 8) = ( 0.0000000 0.0000000 0.0486111), wk = 0.0022727 k( 9) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0022727 k( 10) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0022727 k( 11) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0022727 k( 12) = ( 0.0000000 0.0000000 0.0763889), wk = 0.0022727 k( 13) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0022727 k( 14) = ( 0.0000000 0.0000000 0.0902778), wk = 0.0022727 k( 15) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0022727 k( 16) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0022727 k( 17) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0022727 k( 18) = ( 0.0000000 0.0000000 0.1180556), wk = 0.0022727 k( 19) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022727 k( 20) = ( 0.0000000 0.0000000 0.1319444), wk = 0.0022727 k( 21) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0022727 k( 22) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0022727 k( 23) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0022727 k( 24) = ( 0.0000000 0.0000000 0.1597222), wk = 0.0022727 k( 25) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022727 k( 26) = ( 0.0000000 0.0000000 0.1736111), wk = 0.0022727 k( 27) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0022727 k( 28) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0022727 k( 29) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0022727 k( 30) = ( 0.0000000 0.0000000 0.2013889), wk = 0.0022727 k( 31) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0022727 k( 32) = ( 0.0000000 0.0000000 0.2152778), wk = 0.0022727 k( 33) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0022727 k( 34) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0022727 k( 35) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0022727 k( 36) = ( 0.0000000 0.0000000 0.2430556), wk = 0.0022727 k( 37) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022727 k( 38) = ( 0.0000000 0.0000000 0.2569444), wk = 0.0022727 k( 39) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0022727 k( 40) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0022727 k( 41) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0022727 k( 42) = ( 0.0000000 0.0000000 0.2847222), wk = 0.0022727 k( 43) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0022727 k( 44) = ( 0.0000000 0.0000000 0.2986111), wk = 0.0022727 k( 45) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0022727 k( 46) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0022727 k( 47) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0022727 k( 48) = ( 0.0000000 0.0000000 0.3263889), wk = 0.0022727 k( 49) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022727 k( 50) = ( 0.0000000 0.0000000 0.3402778), wk = 0.0022727 k( 51) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0022727 k( 52) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0022727 k( 53) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0022727 k( 54) = ( 0.0000000 0.0000000 0.3680556), wk = 0.0022727 k( 55) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022727 k( 56) = ( 0.0000000 0.0000000 0.3819444), wk = 0.0022727 k( 57) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0022727 k( 58) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0022727 k( 59) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0022727 k( 60) = ( 0.0000000 0.0000000 0.4097222), wk = 0.0022727 k( 61) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0022727 k( 62) = ( 0.0000000 0.0000000 0.4236111), wk = 0.0022727 k( 63) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0022727 k( 64) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0022727 k( 65) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0022727 k( 66) = ( 0.0000000 0.0000000 0.4513889), wk = 0.0022727 k( 67) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0022727 k( 68) = ( 0.0000000 0.0000000 0.4652778), wk = 0.0022727 k( 69) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0022727 k( 70) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0022727 k( 71) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0022727 k( 72) = ( 0.0000000 0.0000000 0.4930556), wk = 0.0022727 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 75) = ( -0.0067470 0.0067470 0.5000000), wk = 0.0022727 k( 76) = ( -0.0134940 0.0134940 0.5000000), wk = 0.0022727 k( 77) = ( -0.0202410 0.0202410 0.5000000), wk = 0.0022727 k( 78) = ( -0.0269880 0.0269880 0.5000000), wk = 0.0022727 k( 79) = ( -0.0337350 0.0337350 0.5000000), wk = 0.0022727 k( 80) = ( -0.0404820 0.0404820 0.5000000), wk = 0.0022727 k( 81) = ( -0.0472291 0.0472291 0.5000000), wk = 0.0022727 k( 82) = ( -0.0472291 0.0472291 0.5000000), wk = 0.0022727 k( 83) = ( -0.0520458 0.0520458 0.4951833), wk = 0.0022727 k( 84) = ( -0.0568625 0.0568625 0.4903666), wk = 0.0022727 k( 85) = ( -0.0616792 0.0616792 0.4855499), wk = 0.0022727 k( 86) = ( -0.0664959 0.0664959 0.4807331), wk = 0.0022727 k( 87) = ( -0.0713126 0.0713126 0.4759164), wk = 0.0022727 k( 88) = ( -0.0761293 0.0761293 0.4710997), wk = 0.0022727 k( 89) = ( -0.0809460 0.0809460 0.4662830), wk = 0.0022727 k( 90) = ( -0.0857627 0.0857628 0.4614663), wk = 0.0022727 k( 91) = ( -0.0905795 0.0905795 0.4566496), wk = 0.0022727 k( 92) = ( -0.0953962 0.0953962 0.4518329), wk = 0.0022727 k( 93) = ( -0.1002129 0.1002129 0.4470162), wk = 0.0022727 k( 94) = ( -0.1050296 0.1050296 0.4421994), wk = 0.0022727 k( 95) = ( -0.1098463 0.1098463 0.4373827), wk = 0.0022727 k( 96) = ( -0.1146630 0.1146630 0.4325660), wk = 0.0022727 k( 97) = ( -0.1194797 0.1194797 0.4277493), wk = 0.0022727 k( 98) = ( -0.1242964 0.1242964 0.4229326), wk = 0.0022727 k( 99) = ( -0.1291132 0.1291132 0.4181159), wk = 0.0022727 k( 100) = ( -0.1339299 0.1339299 0.4132992), wk = 0.0022727 k( 101) = ( -0.1387466 0.1387466 0.4084825), wk = 0.0022727 k( 102) = ( -0.1435633 0.1435633 0.4036658), wk = 0.0022727 k( 103) = ( -0.1483800 0.1483800 0.3988490), wk = 0.0022727 k( 104) = ( -0.1531967 0.1531967 0.3940323), wk = 0.0022727 k( 105) = ( -0.1580134 0.1580134 0.3892156), wk = 0.0022727 k( 106) = ( -0.1628301 0.1628301 0.3843989), wk = 0.0022727 k( 107) = ( -0.1676469 0.1676469 0.3795822), wk = 0.0022727 k( 108) = ( -0.1724636 0.1724636 0.3747655), wk = 0.0022727 k( 109) = ( -0.1772803 0.1772803 0.3699488), wk = 0.0022727 k( 110) = ( -0.1820970 0.1820970 0.3651321), wk = 0.0022727 k( 111) = ( -0.1869137 0.1869137 0.3603153), wk = 0.0022727 k( 112) = ( -0.1917304 0.1917304 0.3554986), wk = 0.0022727 k( 113) = ( -0.1965471 0.1965471 0.3506819), wk = 0.0022727 k( 114) = ( -0.2013638 0.2013638 0.3458652), wk = 0.0022727 k( 115) = ( -0.2061805 0.2061806 0.3410485), wk = 0.0022727 k( 116) = ( -0.2109973 0.2109973 0.3362318), wk = 0.0022727 k( 117) = ( -0.2158140 0.2158140 0.3314151), wk = 0.0022727 k( 118) = ( -0.2206307 0.2206307 0.3265984), wk = 0.0022727 k( 119) = ( -0.2254474 0.2254474 0.3217816), wk = 0.0022727 k( 120) = ( -0.2302641 0.2302641 0.3169649), wk = 0.0022727 k( 121) = ( -0.2350808 0.2350808 0.3121482), wk = 0.0022727 k( 122) = ( -0.2398975 0.2398975 0.3073315), wk = 0.0022727 k( 123) = ( -0.2447142 0.2447143 0.3025148), wk = 0.0022727 k( 124) = ( -0.2495310 0.2495310 0.2976981), wk = 0.0022727 k( 125) = ( -0.2543477 0.2543477 0.2928814), wk = 0.0022727 k( 126) = ( -0.2591644 0.2591644 0.2880647), wk = 0.0022727 k( 127) = ( -0.2639811 0.2639811 0.2832480), wk = 0.0022727 k( 128) = ( -0.2687978 0.2687978 0.2784312), wk = 0.0022727 k( 129) = ( -0.2736145 0.2736145 0.2736145), wk = 0.0022727 k( 130) = ( -0.2736145 0.2736145 0.2736145), wk = 0.0022727 k( 131) = ( -0.2687286 0.2687286 0.2687286), wk = 0.0022727 k( 132) = ( -0.2638426 0.2638426 0.2638426), wk = 0.0022727 k( 133) = ( -0.2589566 0.2589566 0.2589566), wk = 0.0022727 k( 134) = ( -0.2540706 0.2540706 0.2540706), wk = 0.0022727 k( 135) = ( -0.2491847 0.2491847 0.2491847), wk = 0.0022727 k( 136) = ( -0.2442987 0.2442987 0.2442987), wk = 0.0022727 k( 137) = ( -0.2394127 0.2394127 0.2394127), wk = 0.0022727 k( 138) = ( -0.2345267 0.2345267 0.2345267), wk = 0.0022727 k( 139) = ( -0.2296408 0.2296408 0.2296408), wk = 0.0022727 k( 140) = ( -0.2247548 0.2247548 0.2247548), wk = 0.0022727 k( 141) = ( -0.2198688 0.2198688 0.2198688), wk = 0.0022727 k( 142) = ( -0.2149828 0.2149828 0.2149828), wk = 0.0022727 k( 143) = ( -0.2100969 0.2100969 0.2100969), wk = 0.0022727 k( 144) = ( -0.2052109 0.2052109 0.2052109), wk = 0.0022727 k( 145) = ( -0.2003249 0.2003249 0.2003249), wk = 0.0022727 k( 146) = ( -0.1954390 0.1954390 0.1954390), wk = 0.0022727 k( 147) = ( -0.1905530 0.1905530 0.1905530), wk = 0.0022727 k( 148) = ( -0.1856670 0.1856670 0.1856670), wk = 0.0022727 k( 149) = ( -0.1807810 0.1807810 0.1807810), wk = 0.0022727 k( 150) = ( -0.1758950 0.1758951 0.1758950), wk = 0.0022727 k( 151) = ( -0.1710091 0.1710091 0.1710091), wk = 0.0022727 k( 152) = ( -0.1661231 0.1661231 0.1661231), wk = 0.0022727 k( 153) = ( -0.1612371 0.1612371 0.1612371), wk = 0.0022727 k( 154) = ( -0.1563512 0.1563512 0.1563512), wk = 0.0022727 k( 155) = ( -0.1514652 0.1514652 0.1514652), wk = 0.0022727 k( 156) = ( -0.1465792 0.1465792 0.1465792), wk = 0.0022727 k( 157) = ( -0.1416932 0.1416932 0.1416932), wk = 0.0022727 k( 158) = ( -0.1368073 0.1368073 0.1368073), wk = 0.0022727 k( 159) = ( -0.1319213 0.1319213 0.1319213), wk = 0.0022727 k( 160) = ( -0.1270353 0.1270353 0.1270353), wk = 0.0022727 k( 161) = ( -0.1221493 0.1221493 0.1221493), wk = 0.0022727 k( 162) = ( -0.1172634 0.1172634 0.1172634), wk = 0.0022727 k( 163) = ( -0.1123774 0.1123774 0.1123774), wk = 0.0022727 k( 164) = ( -0.1074914 0.1074914 0.1074914), wk = 0.0022727 k( 165) = ( -0.1026055 0.1026055 0.1026055), wk = 0.0022727 k( 166) = ( -0.0977195 0.0977195 0.0977195), wk = 0.0022727 k( 167) = ( -0.0928335 0.0928335 0.0928335), wk = 0.0022727 k( 168) = ( -0.0879475 0.0879475 0.0879475), wk = 0.0022727 k( 169) = ( -0.0830615 0.0830615 0.0830616), wk = 0.0022727 k( 170) = ( -0.0781756 0.0781756 0.0781756), wk = 0.0022727 k( 171) = ( -0.0732896 0.0732896 0.0732896), wk = 0.0022727 k( 172) = ( -0.0684036 0.0684036 0.0684036), wk = 0.0022727 k( 173) = ( -0.0635177 0.0635177 0.0635177), wk = 0.0022727 k( 174) = ( -0.0586317 0.0586317 0.0586317), wk = 0.0022727 k( 175) = ( -0.0537457 0.0537457 0.0537457), wk = 0.0022727 k( 176) = ( -0.0488597 0.0488597 0.0488597), wk = 0.0022727 k( 177) = ( -0.0439738 0.0439738 0.0439738), wk = 0.0022727 k( 178) = ( -0.0390878 0.0390878 0.0390878), wk = 0.0022727 k( 179) = ( -0.0342018 0.0342018 0.0342018), wk = 0.0022727 k( 180) = ( -0.0293158 0.0293158 0.0293158), wk = 0.0022727 k( 181) = ( -0.0244299 0.0244299 0.0244299), wk = 0.0022727 k( 182) = ( -0.0195439 0.0195439 0.0195439), wk = 0.0022727 k( 183) = ( -0.0146579 0.0146579 0.0146579), wk = 0.0022727 k( 184) = ( -0.0097719 0.0097720 0.0097719), wk = 0.0022727 k( 185) = ( -0.0048860 0.0048860 0.0048860), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 188) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0022727 k( 189) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0022727 k( 190) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0022727 k( 191) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022727 k( 192) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0022727 k( 193) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0022727 k( 194) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0022727 k( 195) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022727 k( 196) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0022727 k( 197) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0022727 k( 198) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0022727 k( 199) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022727 k( 200) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0022727 k( 201) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0022727 k( 202) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0022727 k( 203) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022727 k( 204) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0022727 k( 205) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0022727 k( 206) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0022727 k( 207) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022727 k( 208) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0022727 k( 209) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0022727 k( 210) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0022727 k( 211) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022727 k( 212) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0022727 k( 213) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0022727 k( 214) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0022727 k( 215) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022727 k( 216) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0022727 k( 217) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0022727 k( 218) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0022727 k( 219) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022727 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022727 k( 221) = ( 0.4951833 0.5048167 -0.4951833), wk = 0.0022727 k( 222) = ( 0.4903666 0.5096334 -0.4903666), wk = 0.0022727 k( 223) = ( 0.4855499 0.5144501 -0.4855499), wk = 0.0022727 k( 224) = ( 0.4807331 0.5192668 -0.4807331), wk = 0.0022727 k( 225) = ( 0.4759164 0.5240836 -0.4759164), wk = 0.0022727 k( 226) = ( 0.4710997 0.5289003 -0.4710997), wk = 0.0022727 k( 227) = ( 0.4662830 0.5337170 -0.4662830), wk = 0.0022727 k( 228) = ( 0.4614663 0.5385337 -0.4614663), wk = 0.0022727 k( 229) = ( 0.4566496 0.5433504 -0.4566496), wk = 0.0022727 k( 230) = ( 0.4518329 0.5481671 -0.4518329), wk = 0.0022727 k( 231) = ( 0.4470162 0.5529838 -0.4470162), wk = 0.0022727 k( 232) = ( 0.4421994 0.5578005 -0.4421994), wk = 0.0022727 k( 233) = ( 0.4373827 0.5626173 -0.4373827), wk = 0.0022727 k( 234) = ( 0.4325660 0.5674340 -0.4325660), wk = 0.0022727 k( 235) = ( 0.4277493 0.5722507 -0.4277493), wk = 0.0022727 k( 236) = ( 0.4229326 0.5770674 -0.4229326), wk = 0.0022727 k( 237) = ( 0.4181159 0.5818841 -0.4181159), wk = 0.0022727 k( 238) = ( 0.4132992 0.5867008 -0.4132992), wk = 0.0022727 k( 239) = ( 0.4084825 0.5915175 -0.4084825), wk = 0.0022727 k( 240) = ( 0.4036658 0.5963342 -0.4036658), wk = 0.0022727 k( 241) = ( 0.3988490 0.6011510 -0.3988490), wk = 0.0022727 k( 242) = ( 0.3940323 0.6059677 -0.3940323), wk = 0.0022727 k( 243) = ( 0.3892156 0.6107844 -0.3892156), wk = 0.0022727 k( 244) = ( 0.3843989 0.6156011 -0.3843989), wk = 0.0022727 k( 245) = ( 0.3795822 0.6204178 -0.3795822), wk = 0.0022727 k( 246) = ( 0.3747655 0.6252345 -0.3747655), wk = 0.0022727 k( 247) = ( 0.3699488 0.6300512 -0.3699488), wk = 0.0022727 k( 248) = ( 0.3651321 0.6348679 -0.3651321), wk = 0.0022727 k( 249) = ( 0.3603153 0.6396847 -0.3603153), wk = 0.0022727 k( 250) = ( 0.3554986 0.6445014 -0.3554986), wk = 0.0022727 k( 251) = ( 0.3506819 0.6493181 -0.3506819), wk = 0.0022727 k( 252) = ( 0.3458652 0.6541348 -0.3458652), wk = 0.0022727 k( 253) = ( 0.3410485 0.6589515 -0.3410485), wk = 0.0022727 k( 254) = ( 0.3362318 0.6637682 -0.3362318), wk = 0.0022727 k( 255) = ( 0.3314151 0.6685849 -0.3314151), wk = 0.0022727 k( 256) = ( 0.3265984 0.6734016 -0.3265984), wk = 0.0022727 k( 257) = ( 0.3217816 0.6782183 -0.3217817), wk = 0.0022727 k( 258) = ( 0.3169649 0.6830351 -0.3169649), wk = 0.0022727 k( 259) = ( 0.3121482 0.6878518 -0.3121482), wk = 0.0022727 k( 260) = ( 0.3073315 0.6926685 -0.3073315), wk = 0.0022727 k( 261) = ( 0.3025148 0.6974852 -0.3025148), wk = 0.0022727 k( 262) = ( 0.2976981 0.7023019 -0.2976981), wk = 0.0022727 k( 263) = ( 0.2928814 0.7071186 -0.2928814), wk = 0.0022727 k( 264) = ( 0.2880647 0.7119353 -0.2880647), wk = 0.0022727 k( 265) = ( 0.2832480 0.7167520 -0.2832480), wk = 0.0022727 k( 266) = ( 0.2784312 0.7215688 -0.2784312), wk = 0.0022727 k( 267) = ( 0.2736145 0.7263855 -0.2736145), wk = 0.0022727 k( 268) = ( 0.2736145 0.7263855 -0.2736145), wk = 0.0022727 k( 269) = ( 0.2575195 0.7130687 -0.2575196), wk = 0.0022727 k( 270) = ( 0.2414246 0.6997519 -0.2414246), wk = 0.0022727 k( 271) = ( 0.2253296 0.6864351 -0.2253296), wk = 0.0022727 k( 272) = ( 0.2092346 0.6731183 -0.2092346), wk = 0.0022727 k( 273) = ( 0.1931397 0.6598015 -0.1931397), wk = 0.0022727 k( 274) = ( 0.1770447 0.6464847 -0.1770447), wk = 0.0022727 k( 275) = ( 0.1609497 0.6331679 -0.1609497), wk = 0.0022727 k( 276) = ( 0.1448548 0.6198511 -0.1448547), wk = 0.0022727 k( 277) = ( 0.1287598 0.6065343 -0.1287598), wk = 0.0022727 k( 278) = ( 0.1126648 0.5932175 -0.1126648), wk = 0.0022727 k( 279) = ( 0.0965698 0.5799008 -0.0965698), wk = 0.0022727 k( 280) = ( 0.0804749 0.5665840 -0.0804749), wk = 0.0022727 k( 281) = ( 0.0643799 0.5532672 -0.0643799), wk = 0.0022727 k( 282) = ( 0.0482849 0.5399504 -0.0482849), wk = 0.0022727 k( 283) = ( 0.0321899 0.5266336 -0.0321899), wk = 0.0022727 k( 284) = ( 0.0160950 0.5133168 -0.0160950), wk = 0.0022727 k( 285) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022727 k( 286) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022727 k( 287) = ( 0.0049020 0.4950980 0.0049020), wk = 0.0022727 k( 288) = ( 0.0098039 0.4901961 0.0098039), wk = 0.0022727 k( 289) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0022727 k( 290) = ( 0.0196078 0.4803922 0.0196078), wk = 0.0022727 k( 291) = ( 0.0245098 0.4754902 0.0245098), wk = 0.0022727 k( 292) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0022727 k( 293) = ( 0.0343137 0.4656863 0.0343137), wk = 0.0022727 k( 294) = ( 0.0392157 0.4607843 0.0392157), wk = 0.0022727 k( 295) = ( 0.0441177 0.4558823 0.0441176), wk = 0.0022727 k( 296) = ( 0.0490196 0.4509804 0.0490196), wk = 0.0022727 k( 297) = ( 0.0539216 0.4460784 0.0539216), wk = 0.0022727 k( 298) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0022727 k( 299) = ( 0.0637255 0.4362745 0.0637255), wk = 0.0022727 k( 300) = ( 0.0686275 0.4313726 0.0686275), wk = 0.0022727 k( 301) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0022727 k( 302) = ( 0.0784314 0.4215686 0.0784314), wk = 0.0022727 k( 303) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022727 k( 304) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0022727 k( 305) = ( 0.0931373 0.4068627 0.0931373), wk = 0.0022727 k( 306) = ( 0.0980392 0.4019608 0.0980392), wk = 0.0022727 k( 307) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0022727 k( 308) = ( 0.1078431 0.3921569 0.1078431), wk = 0.0022727 k( 309) = ( 0.1127451 0.3872549 0.1127451), wk = 0.0022727 k( 310) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0022727 k( 311) = ( 0.1225490 0.3774510 0.1225490), wk = 0.0022727 k( 312) = ( 0.1274510 0.3725490 0.1274510), wk = 0.0022727 k( 313) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0022727 k( 314) = ( 0.1372549 0.3627451 0.1372549), wk = 0.0022727 k( 315) = ( 0.1421569 0.3578431 0.1421569), wk = 0.0022727 k( 316) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0022727 k( 317) = ( 0.1519608 0.3480392 0.1519608), wk = 0.0022727 k( 318) = ( 0.1568627 0.3431373 0.1568628), wk = 0.0022727 k( 319) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0022727 k( 320) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022727 k( 321) = ( 0.1715686 0.3284314 0.1715686), wk = 0.0022727 k( 322) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0022727 k( 323) = ( 0.1813725 0.3186274 0.1813725), wk = 0.0022727 k( 324) = ( 0.1862745 0.3137255 0.1862745), wk = 0.0022727 k( 325) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0022727 k( 326) = ( 0.1960784 0.3039216 0.1960784), wk = 0.0022727 k( 327) = ( 0.2009804 0.2990196 0.2009804), wk = 0.0022727 k( 328) = ( 0.2058823 0.2941177 0.2058824), wk = 0.0022727 k( 329) = ( 0.2107843 0.2892157 0.2107843), wk = 0.0022727 k( 330) = ( 0.2156863 0.2843137 0.2156863), wk = 0.0022727 k( 331) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0022727 k( 332) = ( 0.2254902 0.2745098 0.2254902), wk = 0.0022727 k( 333) = ( 0.2303922 0.2696078 0.2303922), wk = 0.0022727 k( 334) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0022727 k( 335) = ( 0.2401961 0.2598039 0.2401961), wk = 0.0022727 k( 336) = ( 0.2450980 0.2549020 0.2450980), wk = 0.0022727 k( 337) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022727 k( 338) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022727 k( 339) = ( 0.2638889 0.2638889 0.2334873), wk = 0.0022727 k( 340) = ( 0.2777778 0.2777778 0.2169746), wk = 0.0022727 k( 341) = ( 0.2916667 0.2916667 0.2004618), wk = 0.0022727 k( 342) = ( 0.3055556 0.3055556 0.1839491), wk = 0.0022727 k( 343) = ( 0.3194444 0.3194444 0.1674364), wk = 0.0022727 k( 344) = ( 0.3333333 0.3333333 0.1509237), wk = 0.0022727 k( 345) = ( 0.3472222 0.3472222 0.1344109), wk = 0.0022727 k( 346) = ( 0.3611111 0.3611111 0.1178982), wk = 0.0022727 k( 347) = ( 0.3750000 0.3750000 0.1013855), wk = 0.0022727 k( 348) = ( 0.3888889 0.3888889 0.0848728), wk = 0.0022727 k( 349) = ( 0.4027778 0.4027778 0.0683600), wk = 0.0022727 k( 350) = ( 0.4166667 0.4166667 0.0518473), wk = 0.0022727 k( 351) = ( 0.4305556 0.4305556 0.0353346), wk = 0.0022727 k( 352) = ( 0.4444444 0.4444444 0.0188219), wk = 0.0022727 k( 353) = ( 0.4583333 0.4583333 0.0023091), wk = 0.0022727 k( 354) = ( 0.4722222 0.4722222 -0.0142036), wk = 0.0022727 k( 355) = ( 0.4861111 0.4861111 -0.0307163), wk = 0.0022727 k( 356) = ( 0.5000000 0.5000000 -0.0472290), wk = 0.0022727 k( 357) = ( 0.5000000 0.5000000 -0.0472290), wk = 0.0022727 k( 358) = ( 0.5000000 0.5000000 -0.0540892), wk = 0.0022727 k( 359) = ( 0.5000000 0.5000000 -0.0609494), wk = 0.0022727 k( 360) = ( 0.5000000 0.5000000 -0.0678095), wk = 0.0022727 k( 361) = ( 0.5000000 0.5000000 -0.0746697), wk = 0.0022727 k( 362) = ( 0.5000000 0.5000000 -0.0815299), wk = 0.0022727 k( 363) = ( 0.5000000 0.5000000 -0.0883900), wk = 0.0022727 k( 364) = ( 0.5000000 0.5000000 -0.0952502), wk = 0.0022727 k( 365) = ( 0.5000000 0.5000000 -0.1021104), wk = 0.0022727 k( 366) = ( 0.5000000 0.5000000 -0.1089705), wk = 0.0022727 k( 367) = ( 0.5000000 0.5000000 -0.1158307), wk = 0.0022727 k( 368) = ( 0.5000000 0.5000000 -0.1226909), wk = 0.0022727 k( 369) = ( 0.5000000 0.5000000 -0.1295510), wk = 0.0022727 k( 370) = ( 0.5000000 0.5000000 -0.1364112), wk = 0.0022727 k( 371) = ( 0.5000000 0.5000000 -0.1432714), wk = 0.0022727 k( 372) = ( 0.5000000 0.5000000 -0.1501315), wk = 0.0022727 k( 373) = ( 0.5000000 0.5000000 -0.1569917), wk = 0.0022727 k( 374) = ( 0.5000000 0.5000000 -0.1638519), wk = 0.0022727 k( 375) = ( 0.5000000 0.5000000 -0.1707120), wk = 0.0022727 k( 376) = ( 0.5000000 0.5000000 -0.1775722), wk = 0.0022727 k( 377) = ( 0.5000000 0.5000000 -0.1844324), wk = 0.0022727 k( 378) = ( 0.5000000 0.5000000 -0.1912925), wk = 0.0022727 k( 379) = ( 0.5000000 0.5000000 -0.1981527), wk = 0.0022727 k( 380) = ( 0.5000000 0.5000000 -0.2050129), wk = 0.0022727 k( 381) = ( 0.5000000 0.5000000 -0.2118730), wk = 0.0022727 k( 382) = ( 0.5000000 0.5000000 -0.2187332), wk = 0.0022727 k( 383) = ( 0.5000000 0.5000000 -0.2255934), wk = 0.0022727 k( 384) = ( 0.5000000 0.5000000 -0.2324535), wk = 0.0022727 k( 385) = ( 0.5000000 0.5000000 -0.2393137), wk = 0.0022727 k( 386) = ( 0.5000000 0.5000000 -0.2461739), wk = 0.0022727 k( 387) = ( 0.5000000 0.5000000 -0.2530340), wk = 0.0022727 k( 388) = ( 0.5000000 0.5000000 -0.2598942), wk = 0.0022727 k( 389) = ( 0.5000000 0.5000000 -0.2667544), wk = 0.0022727 k( 390) = ( 0.5000000 0.5000000 -0.2736145), wk = 0.0022727 k( 391) = ( 0.5000000 0.5000000 -0.2804747), wk = 0.0022727 k( 392) = ( 0.5000000 0.5000000 -0.2873349), wk = 0.0022727 k( 393) = ( 0.5000000 0.5000000 -0.2941950), wk = 0.0022727 k( 394) = ( 0.5000000 0.5000000 -0.3010552), wk = 0.0022727 k( 395) = ( 0.5000000 0.5000000 -0.3079154), wk = 0.0022727 k( 396) = ( 0.5000000 0.5000000 -0.3147755), wk = 0.0022727 k( 397) = ( 0.5000000 0.5000000 -0.3216357), wk = 0.0022727 k( 398) = ( 0.5000000 0.5000000 -0.3284958), wk = 0.0022727 k( 399) = ( 0.5000000 0.5000000 -0.3353560), wk = 0.0022727 k( 400) = ( 0.5000000 0.5000000 -0.3422162), wk = 0.0022727 k( 401) = ( 0.5000000 0.5000000 -0.3490763), wk = 0.0022727 k( 402) = ( 0.5000000 0.5000000 -0.3559365), wk = 0.0022727 k( 403) = ( 0.5000000 0.5000000 -0.3627967), wk = 0.0022727 k( 404) = ( 0.5000000 0.5000000 -0.3696569), wk = 0.0022727 k( 405) = ( 0.5000000 0.5000000 -0.3765170), wk = 0.0022727 k( 406) = ( 0.5000000 0.5000000 -0.3833772), wk = 0.0022727 k( 407) = ( 0.5000000 0.5000000 -0.3902373), wk = 0.0022727 k( 408) = ( 0.5000000 0.5000000 -0.3970975), wk = 0.0022727 k( 409) = ( 0.5000000 0.5000000 -0.4039577), wk = 0.0022727 k( 410) = ( 0.5000000 0.5000000 -0.4108178), wk = 0.0022727 k( 411) = ( 0.5000000 0.5000000 -0.4176780), wk = 0.0022727 k( 412) = ( 0.5000000 0.5000000 -0.4245382), wk = 0.0022727 k( 413) = ( 0.5000000 0.5000000 -0.4313983), wk = 0.0022727 k( 414) = ( 0.5000000 0.5000000 -0.4382585), wk = 0.0022727 k( 415) = ( 0.5000000 0.5000000 -0.4451187), wk = 0.0022727 k( 416) = ( 0.5000000 0.5000000 -0.4519788), wk = 0.0022727 k( 417) = ( 0.5000000 0.5000000 -0.4588390), wk = 0.0022727 k( 418) = ( 0.5000000 0.5000000 -0.4656992), wk = 0.0022727 k( 419) = ( 0.5000000 0.5000000 -0.4725593), wk = 0.0022727 k( 420) = ( 0.5000000 0.5000000 -0.4794195), wk = 0.0022727 k( 421) = ( 0.5000000 0.5000000 -0.4862797), wk = 0.0022727 k( 422) = ( 0.5000000 0.5000000 -0.4931398), wk = 0.0022727 k( 423) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022727 k( 424) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 425) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0022727 k( 426) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0022727 k( 427) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0022727 k( 428) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022727 k( 429) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0022727 k( 430) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0022727 k( 431) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0022727 k( 432) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022727 k( 433) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0022727 k( 434) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0022727 k( 435) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0022727 k( 436) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022727 k( 437) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0022727 k( 438) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0022727 k( 439) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0022727 k( 440) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022727 Dense grid: 69691 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 31443 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 226, 50) NL pseudopotentials 0.18 Mb ( 113, 102) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1936) G-vector shells 0.01 Mb ( 851) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 226, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.16 Mb ( 102, 2, 50) The potential is recalculated from file : ./Ti2Pd.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 30 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.1 secs Computing kpt #: 11 total cpu time spent up to now is 10.8 secs Computing kpt #: 12 total cpu time spent up to now is 11.5 secs Computing kpt #: 13 total cpu time spent up to now is 12.3 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.3 secs Computing kpt #: 18 total cpu time spent up to now is 16.0 secs Computing kpt #: 19 total cpu time spent up to now is 16.7 secs Computing kpt #: 20 total cpu time spent up to now is 17.5 secs Computing kpt #: 21 total cpu time spent up to now is 18.2 secs Computing kpt #: 22 total cpu time spent up to now is 19.0 secs Computing kpt #: 23 total cpu time spent up to now is 19.7 secs Computing kpt #: 24 total cpu time spent up to now is 20.4 secs Computing kpt #: 25 total cpu time spent up to now is 21.2 secs Computing kpt #: 26 total cpu time spent up to now is 22.0 secs Computing kpt #: 27 total cpu time spent up to now is 22.7 secs Computing kpt #: 28 total cpu time spent up to now is 23.4 secs Computing kpt #: 29 total cpu time spent up to now is 24.3 secs Computing kpt #: 30 total cpu time spent up to now is 25.0 secs Computing kpt #: 31 total cpu time spent up to now is 25.9 secs Computing kpt #: 32 total cpu time spent up to now is 26.7 secs Computing kpt #: 33 total cpu time spent up to now is 27.7 secs Computing kpt #: 34 total cpu time spent up to now is 28.6 secs Computing kpt #: 35 total cpu time spent up to now is 29.4 secs Computing kpt #: 36 total cpu time spent up to now is 30.2 secs Computing kpt #: 37 total cpu time spent up to now is 31.0 secs Computing kpt #: 38 total cpu time spent up to now is 31.9 secs Computing kpt #: 39 total cpu time spent up to now is 32.8 secs Computing kpt #: 40 total cpu time spent up to now is 33.6 secs Computing kpt #: 41 total cpu time spent up to now is 34.5 secs Computing kpt #: 42 total cpu time spent up to now is 35.4 secs Computing kpt #: 43 total cpu time spent up to now is 36.3 secs Computing kpt #: 44 total cpu time spent up to now is 37.2 secs Computing kpt #: 45 total cpu time spent up to now is 38.0 secs Computing kpt #: 46 total cpu time spent up to now is 38.7 secs Computing kpt #: 47 total cpu time spent up to now is 39.5 secs Computing kpt #: 48 total cpu time spent up to now is 40.2 secs Computing kpt #: 49 total cpu time spent up to now is 41.0 secs Computing kpt #: 50 total cpu time spent up to now is 41.8 secs Computing kpt #: 51 total cpu time spent up to now is 42.5 secs Computing kpt #: 52 total cpu time spent up to now is 43.4 secs Computing kpt #: 53 total cpu time spent up to now is 44.2 secs Computing kpt #: 54 total cpu time spent up to now is 45.1 secs Computing kpt #: 55 total cpu time spent up to now is 46.1 secs Computing kpt #: 56 total cpu time spent up to now is 47.0 secs Computing kpt #: 57 total cpu time spent up to now is 48.0 secs Computing kpt #: 58 total cpu time spent up to now is 49.0 secs Computing kpt #: 59 total cpu time spent up to now is 50.1 secs Computing kpt #: 60 total cpu time spent up to now is 51.1 secs Computing kpt #: 61 total cpu time spent up to now is 52.3 secs Computing kpt #: 62 total cpu time spent up to now is 53.5 secs Computing kpt #: 63 total cpu time spent up to now is 54.4 secs Computing kpt #: 64 total cpu time spent up to now is 55.3 secs Computing kpt #: 65 total cpu time spent up to now is 56.2 secs Computing kpt #: 66 total cpu time spent up to now is 57.1 secs Computing kpt #: 67 total cpu time spent up to now is 58.0 secs Computing kpt #: 68 total cpu time spent up to now is 58.9 secs Computing kpt #: 69 total cpu time spent up to now is 59.8 secs Computing kpt #: 70 total cpu time spent up to now is 60.7 secs Computing kpt #: 71 total cpu time spent up to now is 61.6 secs Computing kpt #: 72 total cpu time spent up to now is 62.6 secs Computing kpt #: 73 total cpu time spent up to now is 63.4 secs Computing kpt #: 74 total cpu time spent up to now is 64.3 secs Computing kpt #: 75 total cpu time spent up to now is 65.2 secs Computing kpt #: 76 total cpu time spent up to now is 66.1 secs Computing kpt #: 77 total cpu time spent up to now is 67.0 secs Computing kpt #: 78 total cpu time spent up to now is 68.0 secs Computing kpt #: 79 total cpu time spent up to now is 68.9 secs Computing kpt #: 80 total cpu time spent up to now is 69.9 secs Computing kpt #: 81 total cpu time spent up to now is 70.9 secs Computing kpt #: 82 total cpu time spent up to now is 71.8 secs Computing kpt #: 83 total cpu time spent up to now is 72.8 secs Computing kpt #: 84 total cpu time spent up to now is 73.8 secs Computing kpt #: 85 total cpu time spent up to now is 74.7 secs Computing kpt #: 86 total cpu time spent up to now is 75.8 secs Computing kpt #: 87 total cpu time spent up to now is 76.7 secs Computing kpt #: 88 total cpu time spent up to now is 77.7 secs Computing kpt #: 89 total cpu time spent up to now is 78.7 secs Computing kpt #: 90 total cpu time spent up to now is 79.6 secs Computing kpt #: 91 total cpu time spent up to now is 80.5 secs Computing kpt #: 92 total cpu time spent up to now is 81.4 secs Computing kpt #: 93 total cpu time spent up to now is 82.3 secs Computing kpt #: 94 total cpu time spent up to now is 83.2 secs Computing kpt #: 95 total cpu time spent up to now is 84.1 secs Computing kpt #: 96 total cpu time spent up to now is 85.0 secs Computing kpt #: 97 total cpu time spent up to now is 85.9 secs Computing kpt #: 98 total cpu time spent up to now is 86.8 secs Computing kpt #: 99 total cpu time spent up to now is 87.6 secs Computing kpt #: 100 total cpu time spent up to now is 88.5 secs Computing kpt #: 101 total cpu time spent up to now is 89.3 secs Computing kpt #: 102 total cpu time spent up to now is 90.2 secs Computing kpt #: 103 total cpu time spent up to now is 91.1 secs Computing kpt #: 104 total cpu time spent up to now is 91.9 secs Computing kpt #: 105 total cpu time spent up to now is 92.8 secs Computing kpt #: 106 total cpu time spent up to now is 93.6 secs Computing kpt #: 107 total cpu time spent up to now is 94.5 secs Computing kpt #: 108 total cpu time spent up to now is 95.4 secs Computing kpt #: 109 total cpu time spent up to now is 96.3 secs Computing kpt #: 110 total cpu time spent up to now is 97.2 secs Computing kpt #: 111 total cpu time spent up to now is 98.0 secs Computing kpt #: 112 total cpu time spent up to now is 98.9 secs Computing kpt #: 113 total cpu time spent up to now is 99.8 secs Computing kpt #: 114 total cpu time spent up to now is 100.7 secs Computing kpt #: 115 total cpu time spent up to now is 101.6 secs Computing kpt #: 116 total cpu time spent up to now is 102.5 secs Computing kpt #: 117 total cpu time spent up to now is 103.3 secs Computing kpt #: 118 total cpu time spent up to now is 104.2 secs Computing kpt #: 119 total cpu time spent up to now is 105.1 secs Computing kpt #: 120 total cpu time spent up to now is 106.0 secs Computing kpt #: 121 total cpu time spent up to now is 106.9 secs Computing kpt #: 122 total cpu time spent up to now is 107.8 secs Computing kpt #: 123 total cpu time spent up to now is 108.6 secs Computing kpt #: 124 total cpu time spent up to now is 109.3 secs Computing kpt #: 125 total cpu time spent up to now is 110.0 secs Computing kpt #: 126 total cpu time spent up to now is 110.8 secs Computing kpt #: 127 total cpu time spent up to now is 111.5 secs Computing kpt #: 128 total cpu time spent up to now is 112.2 secs Computing kpt #: 129 total cpu time spent up to now is 113.0 secs Computing kpt #: 130 total cpu time spent up to now is 113.7 secs Computing kpt #: 131 total cpu time spent up to now is 114.4 secs Computing kpt #: 132 total cpu time spent up to now is 115.2 secs Computing kpt #: 133 total cpu time spent up to now is 115.9 secs Computing kpt #: 134 total cpu time spent up to now is 116.6 secs Computing kpt #: 135 total cpu time spent up to now is 117.4 secs Computing kpt #: 136 total cpu time spent up to now is 118.1 secs Computing kpt #: 137 total cpu time spent up to now is 118.8 secs Computing kpt #: 138 total cpu time spent up to now is 119.6 secs Computing kpt #: 139 total cpu time spent up to now is 120.3 secs Computing kpt #: 140 total cpu time spent up to now is 121.0 secs Computing kpt #: 141 total cpu time spent up to now is 121.8 secs Computing kpt #: 142 total cpu time spent up to now is 122.5 secs Computing kpt #: 143 total cpu time spent up to now is 123.4 secs Computing kpt #: 144 total cpu time spent up to now is 124.1 secs Computing kpt #: 145 total cpu time spent up to now is 124.9 secs Computing kpt #: 146 total cpu time spent up to now is 125.6 secs Computing kpt #: 147 total cpu time spent up to now is 126.3 secs Computing kpt #: 148 total cpu time spent up to now is 127.1 secs Computing kpt #: 149 total cpu time spent up to now is 127.8 secs Computing kpt #: 150 total cpu time spent up to now is 128.5 secs Computing kpt #: 151 total cpu time spent up to now is 129.3 secs Computing kpt #: 152 total cpu time spent up to now is 130.0 secs Computing kpt #: 153 total cpu time spent up to now is 130.7 secs Computing kpt #: 154 total cpu time spent up to now is 131.5 secs Computing kpt #: 155 total cpu time spent up to now is 132.2 secs Computing kpt #: 156 total cpu time spent up to now is 132.9 secs Computing kpt #: 157 total cpu time spent up to now is 133.7 secs Computing kpt #: 158 total cpu time spent up to now is 134.4 secs Computing kpt #: 159 total cpu time spent up to now is 135.2 secs Computing kpt #: 160 total cpu time spent up to now is 135.9 secs Computing kpt #: 161 total cpu time spent up to now is 136.6 secs Computing kpt #: 162 total cpu time spent up to now is 137.4 secs Computing kpt #: 163 total cpu time spent up to now is 138.1 secs Computing kpt #: 164 total cpu time spent up to now is 138.9 secs Computing kpt #: 165 total cpu time spent up to now is 139.6 secs Computing kpt #: 166 total cpu time spent up to now is 140.4 secs Computing kpt #: 167 total cpu time spent up to now is 141.1 secs Computing kpt #: 168 total cpu time spent up to now is 141.9 secs Computing kpt #: 169 total cpu time spent up to now is 142.6 secs Computing kpt #: 170 total cpu time spent up to now is 143.4 secs Computing kpt #: 171 total cpu time spent up to now is 144.1 secs Computing kpt #: 172 total cpu time spent up to now is 144.8 secs Computing kpt #: 173 total cpu time spent up to now is 145.6 secs Computing kpt #: 174 total cpu time spent up to now is 146.3 secs Computing kpt #: 175 total cpu time spent up to now is 147.1 secs Computing kpt #: 176 total cpu time spent up to now is 147.8 secs Computing kpt #: 177 total cpu time spent up to now is 148.6 secs Computing kpt #: 178 total cpu time spent up to now is 149.3 secs Computing kpt #: 179 total cpu time spent up to now is 150.0 secs Computing kpt #: 180 total cpu time spent up to now is 150.8 secs Computing kpt #: 181 total cpu time spent up to now is 151.6 secs Computing kpt #: 182 total cpu time spent up to now is 152.3 secs Computing kpt #: 183 total cpu time spent up to now is 153.0 secs Computing kpt #: 184 total cpu time spent up to now is 153.8 secs Computing kpt #: 185 total cpu time spent up to now is 154.5 secs Computing kpt #: 186 total cpu time spent up to now is 155.3 secs Computing kpt #: 187 total cpu time spent up to now is 156.0 secs Computing kpt #: 188 total cpu time spent up to now is 156.8 secs Computing kpt #: 189 total cpu time spent up to now is 157.5 secs Computing kpt #: 190 total cpu time spent up to now is 158.2 secs Computing kpt #: 191 total cpu time spent up to now is 159.0 secs Computing kpt #: 192 total cpu time spent up to now is 159.7 secs Computing kpt #: 193 total cpu time spent up to now is 160.5 secs Computing kpt #: 194 total cpu time spent up to now is 161.2 secs Computing kpt #: 195 total cpu time spent up to now is 161.9 secs Computing kpt #: 196 total cpu time spent up to now is 162.7 secs Computing kpt #: 197 total cpu time spent up to now is 163.4 secs Computing kpt #: 198 total cpu time spent up to now is 164.2 secs Computing kpt #: 199 total cpu time spent up to now is 164.9 secs Computing kpt #: 200 total cpu time spent up to now is 165.7 secs Computing kpt #: 201 total cpu time spent up to now is 166.4 secs Computing kpt #: 202 total cpu time spent up to now is 167.1 secs Computing kpt #: 203 total cpu time spent up to now is 167.9 secs Computing kpt #: 204 total cpu time spent up to now is 168.6 secs Computing kpt #: 205 total cpu time spent up to now is 169.4 secs Computing kpt #: 206 total cpu time spent up to now is 170.1 secs Computing kpt #: 207 total cpu time spent up to now is 170.9 secs Computing kpt #: 208 total cpu time spent up to now is 171.6 secs Computing kpt #: 209 total cpu time spent up to now is 172.4 secs Computing kpt #: 210 total cpu time spent up to now is 173.1 secs Computing kpt #: 211 total cpu time spent up to now is 173.8 secs Computing kpt #: 212 total cpu time spent up to now is 174.6 secs Computing kpt #: 213 total cpu time spent up to now is 175.3 secs Computing kpt #: 214 total cpu time spent up to now is 176.0 secs Computing kpt #: 215 total cpu time spent up to now is 176.8 secs Computing kpt #: 216 total cpu time spent up to now is 177.5 secs Computing kpt #: 217 total cpu time spent up to now is 178.3 secs Computing kpt #: 218 total cpu time spent up to now is 179.0 secs Computing kpt #: 219 total cpu time spent up to now is 179.8 secs Computing kpt #: 220 total cpu time spent up to now is 180.6 secs Computing kpt #: 221 total cpu time spent up to now is 181.3 secs Computing kpt #: 222 total cpu time spent up to now is 182.1 secs Computing kpt #: 223 total cpu time spent up to now is 182.9 secs Computing kpt #: 224 total cpu time spent up to now is 183.6 secs Computing kpt #: 225 total cpu time spent up to now is 184.4 secs Computing kpt #: 226 total cpu time spent up to now is 185.1 secs Computing kpt #: 227 total cpu time spent up to now is 185.9 secs Computing kpt #: 228 total cpu time spent up to now is 186.7 secs Computing kpt #: 229 total cpu time spent up to now is 187.4 secs Computing kpt #: 230 total cpu time spent up to now is 188.2 secs Computing kpt #: 231 total cpu time spent up to now is 188.9 secs Computing kpt #: 232 total cpu time spent up to now is 189.7 secs Computing kpt #: 233 total cpu time spent up to now is 190.4 secs Computing kpt #: 234 total cpu time spent up to now is 191.1 secs Computing kpt #: 235 total cpu time spent up to now is 192.0 secs Computing kpt #: 236 total cpu time spent up to now is 192.7 secs Computing kpt #: 237 total cpu time spent up to now is 193.4 secs Computing kpt #: 238 total cpu time spent up to now is 194.3 secs Computing kpt #: 239 total cpu time spent up to now is 195.0 secs Computing kpt #: 240 total cpu time spent up to now is 195.9 secs Computing kpt #: 241 total cpu time spent up to now is 196.7 secs Computing kpt #: 242 total cpu time spent up to now is 197.5 secs Computing kpt #: 243 total cpu time spent up to now is 198.4 secs Computing kpt #: 244 total cpu time spent up to now is 199.3 secs Computing kpt #: 245 total cpu time spent up to now is 200.0 secs Computing kpt #: 246 total cpu time spent up to now is 200.8 secs Computing kpt #: 247 total cpu time spent up to now is 201.6 secs Computing kpt #: 248 total cpu time spent up to now is 202.5 secs Computing kpt #: 249 total cpu time spent up to now is 203.4 secs Computing kpt #: 250 total cpu time spent up to now is 204.2 secs Computing kpt #: 251 total cpu time spent up to now is 205.0 secs Computing kpt #: 252 total cpu time spent up to now is 205.7 secs Computing kpt #: 253 total cpu time spent up to now is 206.6 secs Computing kpt #: 254 total cpu time spent up to now is 207.3 secs Computing kpt #: 255 total cpu time spent up to now is 208.2 secs Computing kpt #: 256 total cpu time spent up to now is 209.0 secs Computing kpt #: 257 total cpu time spent up to now is 209.9 secs Computing kpt #: 258 total cpu time spent up to now is 210.7 secs Computing kpt #: 259 total cpu time spent up to now is 211.4 secs Computing kpt #: 260 total cpu time spent up to now is 212.1 secs Computing kpt #: 261 total cpu time spent up to now is 212.9 secs Computing kpt #: 262 total cpu time spent up to now is 213.6 secs Computing kpt #: 263 total cpu time spent up to now is 214.4 secs Computing kpt #: 264 total cpu time spent up to now is 215.1 secs Computing kpt #: 265 total cpu time spent up to now is 215.8 secs Computing kpt #: 266 total cpu time spent up to now is 216.6 secs Computing kpt #: 267 total cpu time spent up to now is 217.3 secs Computing kpt #: 268 total cpu time spent up to now is 218.0 secs Computing kpt #: 269 total cpu time spent up to now is 218.7 secs Computing kpt #: 270 total cpu time spent up to now is 219.5 secs Computing kpt #: 271 total cpu time spent up to now is 220.2 secs Computing kpt #: 272 total cpu time spent up to now is 220.9 secs Computing kpt #: 273 total cpu time spent up to now is 221.7 secs Computing kpt #: 274 total cpu time spent up to now is 222.4 secs Computing kpt #: 275 total cpu time spent up to now is 223.1 secs Computing kpt #: 276 total cpu time spent up to now is 223.9 secs Computing kpt #: 277 total cpu time spent up to now is 224.6 secs Computing kpt #: 278 total cpu time spent up to now is 225.4 secs Computing kpt #: 279 total cpu time spent up to now is 226.1 secs Computing kpt #: 280 total cpu time spent up to now is 227.0 secs Computing kpt #: 281 total cpu time spent up to now is 227.7 secs Computing kpt #: 282 total cpu time spent up to now is 228.4 secs Computing kpt #: 283 total cpu time spent up to now is 229.2 secs Computing kpt #: 284 total cpu time spent up to now is 230.1 secs Computing kpt #: 285 total cpu time spent up to now is 230.9 secs Computing kpt #: 286 total cpu time spent up to now is 231.8 secs Computing kpt #: 287 total cpu time spent up to now is 232.6 secs Computing kpt #: 288 total cpu time spent up to now is 233.3 secs Computing kpt #: 289 total cpu time spent up to now is 234.1 secs Computing kpt #: 290 total cpu time spent up to now is 234.9 secs Computing kpt #: 291 total cpu time spent up to now is 235.8 secs Computing kpt #: 292 total cpu time spent up to now is 236.6 secs Computing kpt #: 293 total cpu time spent up to now is 237.4 secs Computing kpt #: 294 total cpu time spent up to now is 238.1 secs Computing kpt #: 295 total cpu time spent up to now is 238.9 secs Computing kpt #: 296 total cpu time spent up to now is 239.6 secs Computing kpt #: 297 total cpu time spent up to now is 240.5 secs Computing kpt #: 298 total cpu time spent up to now is 241.4 secs Computing kpt #: 299 total cpu time spent up to now is 242.3 secs Computing kpt #: 300 total cpu time spent up to now is 243.1 secs Computing kpt #: 301 total cpu time spent up to now is 244.0 secs Computing kpt #: 302 total cpu time spent up to now is 244.8 secs Computing kpt #: 303 total cpu time spent up to now is 245.7 secs Computing kpt #: 304 total cpu time spent up to now is 246.4 secs Computing kpt #: 305 total cpu time spent up to now is 247.2 secs Computing kpt #: 306 total cpu time spent up to now is 248.0 secs Computing kpt #: 307 total cpu time spent up to now is 248.7 secs Computing kpt #: 308 total cpu time spent up to now is 249.5 secs Computing kpt #: 309 total cpu time spent up to now is 250.2 secs Computing kpt #: 310 total cpu time spent up to now is 251.1 secs Computing kpt #: 311 total cpu time spent up to now is 251.9 secs Computing kpt #: 312 total cpu time spent up to now is 252.7 secs Computing kpt #: 313 total cpu time spent up to now is 253.5 secs Computing kpt #: 314 total cpu time spent up to now is 254.4 secs Computing kpt #: 315 total cpu time spent up to now is 255.2 secs Computing kpt #: 316 total cpu time spent up to now is 256.1 secs Computing kpt #: 317 total cpu time spent up to now is 257.0 secs Computing kpt #: 318 total cpu time spent up to now is 257.9 secs Computing kpt #: 319 total cpu time spent up to now is 258.8 secs Computing kpt #: 320 total cpu time spent up to now is 259.7 secs Computing kpt #: 321 total cpu time spent up to now is 260.6 secs Computing kpt #: 322 total cpu time spent up to now is 261.5 secs Computing kpt #: 323 total cpu time spent up to now is 262.4 secs Computing kpt #: 324 total cpu time spent up to now is 263.3 secs Computing kpt #: 325 total cpu time spent up to now is 264.3 secs Computing kpt #: 326 total cpu time spent up to now is 265.2 secs Computing kpt #: 327 total cpu time spent up to now is 266.1 secs Computing kpt #: 328 total cpu time spent up to now is 267.0 secs Computing kpt #: 329 total cpu time spent up to now is 267.9 secs Computing kpt #: 330 total cpu time spent up to now is 268.9 secs Computing kpt #: 331 total cpu time spent up to now is 269.8 secs Computing kpt #: 332 total cpu time spent up to now is 270.7 secs Computing kpt #: 333 total cpu time spent up to now is 271.7 secs Computing kpt #: 334 total cpu time spent up to now is 272.6 secs Computing kpt #: 335 total cpu time spent up to now is 273.6 secs Computing kpt #: 336 total cpu time spent up to now is 274.5 secs Computing kpt #: 337 total cpu time spent up to now is 275.4 secs Computing kpt #: 338 total cpu time spent up to now is 276.4 secs Computing kpt #: 339 total cpu time spent up to now is 277.3 secs Computing kpt #: 340 total cpu time spent up to now is 278.2 secs Computing kpt #: 341 total cpu time spent up to now is 279.2 secs Computing kpt #: 342 total cpu time spent up to now is 280.1 secs Computing kpt #: 343 total cpu time spent up to now is 281.1 secs Computing kpt #: 344 total cpu time spent up to now is 282.0 secs Computing kpt #: 345 total cpu time spent up to now is 283.0 secs Computing kpt #: 346 total cpu time spent up to now is 283.9 secs Computing kpt #: 347 total cpu time spent up to now is 284.9 secs Computing kpt #: 348 total cpu time spent up to now is 285.9 secs Computing kpt #: 349 total cpu time spent up to now is 286.8 secs Computing kpt #: 350 total cpu time spent up to now is 287.8 secs Computing kpt #: 351 total cpu time spent up to now is 288.7 secs Computing kpt #: 352 total cpu time spent up to now is 289.7 secs Computing kpt #: 353 total cpu time spent up to now is 290.8 secs Computing kpt #: 354 total cpu time spent up to now is 291.8 secs Computing kpt #: 355 total cpu time spent up to now is 292.8 secs Computing kpt #: 356 total cpu time spent up to now is 293.8 secs Computing kpt #: 357 total cpu time spent up to now is 294.9 secs Computing kpt #: 358 total cpu time spent up to now is 295.9 secs Computing kpt #: 359 total cpu time spent up to now is 296.8 secs Computing kpt #: 360 total cpu time spent up to now is 297.9 secs Computing kpt #: 361 total cpu time spent up to now is 299.1 secs Computing kpt #: 362 total cpu time spent up to now is 300.2 secs Computing kpt #: 363 total cpu time spent up to now is 301.4 secs Computing kpt #: 364 total cpu time spent up to now is 302.5 secs Computing kpt #: 365 total cpu time spent up to now is 303.8 secs Computing kpt #: 366 total cpu time spent up to now is 305.1 secs Computing kpt #: 367 total cpu time spent up to now is 306.2 secs Computing kpt #: 368 total cpu time spent up to now is 307.3 secs Computing kpt #: 369 total cpu time spent up to now is 308.3 secs Computing kpt #: 370 total cpu time spent up to now is 309.4 secs Computing kpt #: 371 total cpu time spent up to now is 310.5 secs Computing kpt #: 372 total cpu time spent up to now is 311.5 secs Computing kpt #: 373 total cpu time spent up to now is 312.5 secs Computing kpt #: 374 total cpu time spent up to now is 313.4 secs Computing kpt #: 375 total cpu time spent up to now is 314.4 secs Computing kpt #: 376 total cpu time spent up to now is 315.3 secs Computing kpt #: 377 total cpu time spent up to now is 316.2 secs Computing kpt #: 378 total cpu time spent up to now is 317.0 secs Computing kpt #: 379 total cpu time spent up to now is 318.0 secs Computing kpt #: 380 total cpu time spent up to now is 318.8 secs Computing kpt #: 381 total cpu time spent up to now is 319.7 secs Computing kpt #: 382 total cpu time spent up to now is 320.5 secs Computing kpt #: 383 total cpu time spent up to now is 321.4 secs Computing kpt #: 384 total cpu time spent up to now is 322.3 secs Computing kpt #: 385 total cpu time spent up to now is 323.2 secs Computing kpt #: 386 total cpu time spent up to now is 324.0 secs Computing kpt #: 387 total cpu time spent up to now is 324.9 secs Computing kpt #: 388 total cpu time spent up to now is 325.8 secs Computing kpt #: 389 total cpu time spent up to now is 326.7 secs Computing kpt #: 390 total cpu time spent up to now is 327.4 secs Computing kpt #: 391 total cpu time spent up to now is 328.2 secs Computing kpt #: 392 total cpu time spent up to now is 329.1 secs Computing kpt #: 393 total cpu time spent up to now is 330.0 secs Computing kpt #: 394 total cpu time spent up to now is 330.8 secs Computing kpt #: 395 total cpu time spent up to now is 331.6 secs Computing kpt #: 396 total cpu time spent up to now is 332.3 secs Computing kpt #: 397 total cpu time spent up to now is 333.0 secs Computing kpt #: 398 total cpu time spent up to now is 333.8 secs Computing kpt #: 399 total cpu time spent up to now is 334.5 secs Computing kpt #: 400 total cpu time spent up to now is 335.3 secs Computing kpt #: 401 total cpu time spent up to now is 336.0 secs Computing kpt #: 402 total cpu time spent up to now is 336.8 secs Computing kpt #: 403 total cpu time spent up to now is 337.5 secs Computing kpt #: 404 total cpu time spent up to now is 338.2 secs Computing kpt #: 405 total cpu time spent up to now is 339.0 secs Computing kpt #: 406 total cpu time spent up to now is 339.7 secs Computing kpt #: 407 total cpu time spent up to now is 340.5 secs Computing kpt #: 408 total cpu time spent up to now is 341.2 secs Computing kpt #: 409 total cpu time spent up to now is 341.9 secs Computing kpt #: 410 total cpu time spent up to now is 342.7 secs Computing kpt #: 411 total cpu time spent up to now is 343.4 secs Computing kpt #: 412 total cpu time spent up to now is 344.2 secs Computing kpt #: 413 total cpu time spent up to now is 345.0 secs Computing kpt #: 414 total cpu time spent up to now is 345.7 secs Computing kpt #: 415 total cpu time spent up to now is 346.5 secs Computing kpt #: 416 total cpu time spent up to now is 347.2 secs Computing kpt #: 417 total cpu time spent up to now is 348.0 secs Computing kpt #: 418 total cpu time spent up to now is 348.7 secs Computing kpt #: 419 total cpu time spent up to now is 349.5 secs Computing kpt #: 420 total cpu time spent up to now is 350.5 secs Computing kpt #: 421 total cpu time spent up to now is 351.6 secs Computing kpt #: 422 total cpu time spent up to now is 352.4 secs Computing kpt #: 423 total cpu time spent up to now is 353.1 secs Computing kpt #: 424 total cpu time spent up to now is 354.0 secs Computing kpt #: 425 total cpu time spent up to now is 355.0 secs Computing kpt #: 426 total cpu time spent up to now is 355.9 secs Computing kpt #: 427 total cpu time spent up to now is 356.8 secs Computing kpt #: 428 total cpu time spent up to now is 357.7 secs Computing kpt #: 429 total cpu time spent up to now is 358.7 secs Computing kpt #: 430 total cpu time spent up to now is 359.6 secs Computing kpt #: 431 total cpu time spent up to now is 360.6 secs Computing kpt #: 432 total cpu time spent up to now is 361.6 secs Computing kpt #: 433 total cpu time spent up to now is 362.6 secs Computing kpt #: 434 total cpu time spent up to now is 363.5 secs Computing kpt #: 435 total cpu time spent up to now is 364.5 secs Computing kpt #: 436 total cpu time spent up to now is 365.4 secs Computing kpt #: 437 total cpu time spent up to now is 366.4 secs Computing kpt #: 438 total cpu time spent up to now is 367.4 secs Computing kpt #: 439 total cpu time spent up to now is 368.3 secs Computing kpt #: 440 total cpu time spent up to now is 369.3 secs ethr = 2.38E-08, avg # of iterations = 25.0 total cpu time spent up to now is 369.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3927 PWs) bands (ev): -68.9385 -68.9385 -40.6346 -40.6346 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3443 -17.3443 -17.0903 -17.0903 -16.7324 -16.7324 -16.5908 -16.5908 -16.4417 -16.4417 -16.4049 -16.4049 9.3216 9.3216 11.3646 11.3646 11.5142 11.5142 13.0121 13.0121 13.1440 13.1440 13.5242 13.5242 13.7651 13.7651 14.9218 14.9218 17.2062 17.2062 17.4534 17.4534 17.5593 17.5593 17.5884 17.5884 18.1537 18.1537 k = 0.0000 0.0000 0.0174 ( 3927 PWs) bands (ev): -68.9385 -68.9385 -40.6345 -40.6345 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3442 -17.3442 -17.0904 -17.0904 -16.7324 -16.7324 -16.5909 -16.5909 -16.4417 -16.4417 -16.4050 -16.4050 9.3235 9.3235 11.3654 11.3654 11.5151 11.5151 13.0107 13.0107 13.1425 13.1425 13.5229 13.5229 13.7685 13.7685 14.9230 14.9230 17.2034 17.2034 17.4533 17.4533 17.5580 17.5580 17.5872 17.5872 18.1454 18.1454 k = 0.0000 0.0000 0.0348 ( 3919 PWs) bands (ev): -68.9385 -68.9385 -40.6344 -40.6344 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2470 -33.2470 -17.3442 -17.3442 -17.0908 -17.0908 -16.7323 -16.7323 -16.5911 -16.5911 -16.4417 -16.4417 -16.4054 -16.4054 9.3291 9.3291 11.3676 11.3676 11.5177 11.5177 13.0065 13.0065 13.1379 13.1379 13.5194 13.5194 13.7785 13.7785 14.9268 14.9268 17.1948 17.1948 17.4529 17.4529 17.5537 17.5537 17.5840 17.5840 18.1167 18.1167 k = 0.0000 0.0000 0.0523 ( 3915 PWs) bands (ev): -68.9384 -68.9384 -40.6342 -40.6342 -40.5254 -40.5254 -37.7326 -37.7326 -33.2605 -33.2605 -33.2471 -33.2471 -17.3442 -17.3442 -17.0916 -17.0916 -16.7321 -16.7321 -16.5916 -16.5916 -16.4418 -16.4418 -16.4060 -16.4060 9.3385 9.3385 11.3713 11.3713 11.5220 11.5220 12.9996 12.9996 13.1305 13.1305 13.5136 13.5136 13.7947 13.7947 14.9330 14.9330 17.1805 17.1805 17.4523 17.4523 17.5452 17.5452 17.5804 17.5804 18.0724 18.0724 k = 0.0000 0.0000 0.0697 ( 3923 PWs) bands (ev): -68.9384 -68.9384 -40.6339 -40.6339 -40.5254 -40.5254 -37.7327 -37.7327 -33.2606 -33.2606 -33.2473 -33.2473 -17.3441 -17.3441 -17.0925 -17.0925 -16.7318 -16.7318 -16.5922 -16.5922 -16.4420 -16.4420 -16.4068 -16.4068 9.3516 9.3516 11.3765 11.3765 11.5280 11.5280 12.9901 12.9901 13.1207 13.1207 13.5058 13.5058 13.8166 13.8166 14.9415 14.9415 17.1602 17.1602 17.4514 17.4514 17.5319 17.5319 17.5773 17.5773 18.0228 18.0228 k = 0.0000 0.0000 0.0871 ( 3925 PWs) bands (ev): -68.9384 -68.9384 -40.6335 -40.6335 -40.5255 -40.5255 -37.7328 -37.7328 -33.2607 -33.2607 -33.2476 -33.2476 -17.3440 -17.3440 -17.0938 -17.0938 -16.7315 -16.7315 -16.5929 -16.5929 -16.4422 -16.4422 -16.4078 -16.4078 9.3684 9.3684 11.3831 11.3831 11.5358 11.5358 12.9782 12.9782 13.1087 13.1087 13.4961 13.4961 13.8433 13.8433 14.9524 14.9524 17.1339 17.1339 17.4503 17.4503 17.5140 17.5140 17.5750 17.5750 17.9734 17.9734 k = 0.0000 0.0000 0.1045 ( 3925 PWs) bands (ev): -68.9383 -68.9383 -40.6331 -40.6331 -40.5255 -40.5255 -37.7329 -37.7329 -33.2608 -33.2608 -33.2479 -33.2479 -17.3439 -17.3439 -17.0954 -17.0954 -16.7311 -16.7311 -16.5938 -16.5938 -16.4424 -16.4424 -16.4091 -16.4091 9.3890 9.3890 11.3912 11.3912 11.5452 11.5452 12.9641 12.9641 13.0950 13.0950 13.4846 13.4846 13.8744 13.8744 14.9654 14.9654 17.1016 17.1016 17.4489 17.4489 17.4924 17.4924 17.5733 17.5733 17.9268 17.9268 k = 0.0000 0.0000 0.1219 ( 3919 PWs) bands (ev): -68.9383 -68.9383 -40.6325 -40.6325 -40.5255 -40.5255 -37.7331 -37.7331 -33.2609 -33.2609 -33.2483 -33.2483 -17.3438 -17.3438 -17.0972 -17.0972 -16.7306 -16.7306 -16.5949 -16.5949 -16.4428 -16.4428 -16.4105 -16.4105 9.4131 9.4131 11.4008 11.4008 11.5562 11.5562 12.9480 12.9480 13.0798 13.0798 13.4714 13.4714 13.9092 13.9092 14.9804 14.9804 17.0636 17.0636 17.4472 17.4472 17.4680 17.4680 17.5719 17.5719 17.8844 17.8844 k = 0.0000 0.0000 0.1394 ( 3917 PWs) bands (ev): -68.9383 -68.9383 -40.6319 -40.6319 -40.5256 -40.5256 -37.7333 -37.7333 -33.2610 -33.2610 -33.2487 -33.2487 -17.3436 -17.3436 -17.0992 -17.0992 -16.7301 -16.7301 -16.5961 -16.5961 -16.4432 -16.4432 -16.4122 -16.4122 9.4410 9.4410 11.4119 11.4119 11.5689 11.5689 12.9304 12.9304 13.0633 13.0633 13.4566 13.4566 13.9474 13.9474 14.9973 14.9973 17.0202 17.0202 17.4413 17.4413 17.4455 17.4455 17.5708 17.5708 17.8464 17.8464 k = 0.0000 0.0000 0.1568 ( 3917 PWs) bands (ev): -68.9382 -68.9382 -40.6312 -40.6312 -40.5257 -40.5257 -37.7335 -37.7335 -33.2611 -33.2611 -33.2492 -33.2492 -17.3435 -17.3435 -17.1015 -17.1015 -16.7296 -16.7296 -16.5975 -16.5975 -16.4437 -16.4437 -16.4140 -16.4140 9.4724 9.4724 11.4245 11.4245 11.5831 11.5831 12.9113 12.9113 13.0457 13.0457 13.4401 13.4401 13.9885 13.9885 15.0159 15.0159 16.9720 16.9720 17.4135 17.4135 17.4432 17.4432 17.5699 17.5699 17.8131 17.8131 k = 0.0000 0.0000 0.1742 ( 3917 PWs) bands (ev): -68.9381 -68.9381 -40.6305 -40.6305 -40.5258 -40.5258 -37.7337 -37.7337 -33.2612 -33.2612 -33.2497 -33.2497 -17.3433 -17.3433 -17.1041 -17.1041 -16.7290 -16.7290 -16.5990 -16.5990 -16.4443 -16.4443 -16.4159 -16.4159 9.5074 9.5074 11.4385 11.4385 11.5989 11.5989 12.8911 12.8911 13.0272 13.0272 13.4219 13.4219 14.0322 14.0322 15.0360 15.0360 16.9197 16.9197 17.3848 17.3848 17.4407 17.4407 17.5693 17.5693 17.7842 17.7842 k = 0.0000 0.0000 0.1916 ( 3921 PWs) bands (ev): -68.9381 -68.9381 -40.6296 -40.6296 -40.5258 -40.5258 -37.7340 -37.7340 -33.2614 -33.2614 -33.2503 -33.2503 -17.3431 -17.3431 -17.1068 -17.1068 -16.7284 -16.7284 -16.6006 -16.6006 -16.4450 -16.4450 -16.4180 -16.4180 9.5458 9.5458 11.4539 11.4539 11.6162 11.6162 12.8699 12.8699 13.0078 13.0078 13.4022 13.4022 14.0781 14.0781 15.0575 15.0575 16.8642 16.8642 17.3557 17.3557 17.4380 17.4380 17.5690 17.5690 17.7592 17.7592 k = 0.0000 0.0000 0.2091 ( 3913 PWs) bands (ev): -68.9380 -68.9380 -40.6287 -40.6287 -40.5259 -40.5259 -37.7343 -37.7343 -33.2616 -33.2616 -33.2509 -33.2509 -17.3429 -17.3429 -17.1098 -17.1098 -16.7278 -16.7278 -16.6023 -16.6023 -16.4460 -16.4460 -16.4201 -16.4201 9.5878 9.5878 11.4708 11.4708 11.6349 11.6349 12.8480 12.8480 12.9877 12.9877 13.3808 13.3808 14.1261 14.1261 15.0800 15.0800 16.8061 16.8061 17.3270 17.3270 17.4349 17.4349 17.5692 17.5692 17.7378 17.7378 k = 0.0000 0.0000 0.2265 ( 3915 PWs) bands (ev): -68.9379 -68.9379 -40.6277 -40.6277 -40.5260 -40.5260 -37.7346 -37.7346 -33.2618 -33.2618 -33.2516 -33.2516 -17.3427 -17.3427 -17.1130 -17.1130 -16.7272 -16.7272 -16.6041 -16.6041 -16.4471 -16.4471 -16.4222 -16.4222 9.6331 9.6331 11.4892 11.4892 11.6550 11.6550 12.8255 12.8255 12.9670 12.9670 13.3579 13.3579 14.1759 14.1759 15.1036 15.1036 16.7461 16.7461 17.2989 17.2989 17.4316 17.4316 17.5699 17.5699 17.7195 17.7195 k = 0.0000 0.0000 0.2439 ( 3919 PWs) bands (ev): -68.9378 -68.9378 -40.6266 -40.6266 -40.5261 -40.5261 -37.7349 -37.7349 -33.2620 -33.2620 -33.2523 -33.2523 -17.3425 -17.3425 -17.1164 -17.1164 -16.7266 -16.7266 -16.6060 -16.6060 -16.4485 -16.4485 -16.4244 -16.4244 9.6818 9.6818 11.5089 11.5089 11.6764 11.6764 12.8027 12.8027 12.9456 12.9456 13.3335 13.3335 14.2272 14.2272 15.1279 15.1279 16.6850 16.6850 17.2719 17.2719 17.4278 17.4278 17.5712 17.5712 17.7038 17.7038 k = 0.0000 0.0000 0.2613 ( 3919 PWs) bands (ev): -68.9377 -68.9377 -40.6255 -40.6255 -40.5262 -40.5262 -37.7353 -37.7353 -33.2622 -33.2622 -33.2531 -33.2531 -17.3423 -17.3423 -17.1200 -17.1200 -16.7261 -16.7261 -16.6079 -16.6079 -16.4502 -16.4502 -16.4264 -16.4264 9.7337 9.7337 11.5301 11.5301 11.6990 11.6990 12.7795 12.7795 12.9237 12.9237 13.3077 13.3077 14.2799 14.2799 15.1528 15.1528 16.6233 16.6233 17.2464 17.2464 17.4238 17.4238 17.5732 17.5732 17.6903 17.6903 k = 0.0000 0.0000 0.2787 ( 3915 PWs) bands (ev): -68.9376 -68.9376 -40.6243 -40.6243 -40.5264 -40.5264 -37.7356 -37.7356 -33.2624 -33.2624 -33.2539 -33.2539 -17.3421 -17.3421 -17.1237 -17.1237 -16.7256 -16.7256 -16.6099 -16.6099 -16.4523 -16.4523 -16.4284 -16.4284 9.7887 9.7887 11.5528 11.5528 11.7228 11.7228 12.7561 12.7561 12.9014 12.9014 13.2805 13.2805 14.3336 14.3336 15.1782 15.1782 16.5615 16.5615 17.2227 17.2227 17.4193 17.4193 17.5760 17.5760 17.6789 17.6789 k = 0.0000 0.0000 0.2962 ( 3923 PWs) bands (ev): -68.9375 -68.9375 -40.6230 -40.6230 -40.5265 -40.5265 -37.7360 -37.7360 -33.2627 -33.2627 -33.2548 -33.2548 -17.3419 -17.3419 -17.1276 -17.1276 -16.7251 -16.7251 -16.6119 -16.6119 -16.4547 -16.4547 -16.4302 -16.4302 9.8468 9.8468 11.5768 11.5768 11.7476 11.7476 12.7325 12.7325 12.8787 12.8787 13.2520 13.2520 14.3883 14.3883 15.2037 15.2037 16.4998 16.4998 17.2011 17.2011 17.4144 17.4144 17.5797 17.5797 17.6691 17.6691 k = 0.0000 0.0000 0.3136 ( 3920 PWs) bands (ev): -68.9374 -68.9374 -40.6217 -40.6217 -40.5266 -40.5266 -37.7364 -37.7364 -33.2629 -33.2629 -33.2557 -33.2557 -17.3417 -17.3417 -17.1317 -17.1317 -16.7247 -16.7247 -16.6140 -16.6140 -16.4575 -16.4575 -16.4319 -16.4319 9.9079 9.9079 11.6022 11.6022 11.7734 11.7734 12.7090 12.7090 12.8558 12.8558 13.2223 13.2223 14.4437 14.4437 15.2293 15.2293 16.4388 16.4388 17.1819 17.1819 17.4091 17.4091 17.5845 17.5845 17.6609 17.6609 k = 0.0000 0.0000 0.3310 ( 3924 PWs) bands (ev): -68.9373 -68.9373 -40.6203 -40.6203 -40.5268 -40.5268 -37.7369 -37.7369 -33.2632 -33.2632 -33.2567 -33.2567 -17.3415 -17.3415 -17.1359 -17.1359 -16.7244 -16.7244 -16.6160 -16.6160 -16.4607 -16.4607 -16.4334 -16.4334 9.9718 9.9718 11.6289 11.6289 11.8001 11.8001 12.6854 12.6854 12.8327 12.8327 13.1916 13.1916 14.4995 14.4995 15.2548 15.2548 16.3787 16.3787 17.1653 17.1653 17.4033 17.4033 17.5903 17.5903 17.6540 17.6540 k = 0.0000 0.0000 0.3484 ( 3926 PWs) bands (ev): -68.9372 -68.9372 -40.6188 -40.6188 -40.5269 -40.5269 -37.7373 -37.7373 -33.2634 -33.2634 -33.2577 -33.2577 -17.3413 -17.3413 -17.1402 -17.1402 -16.7241 -16.7241 -16.6180 -16.6180 -16.4641 -16.4641 -16.4348 -16.4348 10.0383 10.0383 11.6570 11.6570 11.8275 11.8275 12.6620 12.6620 12.8094 12.8094 13.1599 13.1599 14.5556 14.5556 15.2801 15.2801 16.3196 16.3196 17.1517 17.1517 17.3970 17.3970 17.5974 17.5974 17.6484 17.6484 k = 0.0000 0.0000 0.3658 ( 3922 PWs) bands (ev): -68.9371 -68.9371 -40.6173 -40.6173 -40.5271 -40.5271 -37.7378 -37.7378 -33.2637 -33.2637 -33.2587 -33.2587 -17.3411 -17.3411 -17.1446 -17.1446 -16.7240 -16.7240 -16.6200 -16.6200 -16.4679 -16.4679 -16.4361 -16.4361 10.1074 10.1074 11.6864 11.6864 11.8555 11.8555 12.6388 12.6388 12.7862 12.7862 13.1275 13.1275 14.6116 14.6116 15.3049 15.3049 16.2618 16.2618 17.1412 17.1412 17.3901 17.3901 17.6055 17.6055 17.6440 17.6440 k = 0.0000 0.0000 0.3833 ( 3926 PWs) bands (ev): -68.9369 -68.9369 -40.6158 -40.6158 -40.5273 -40.5273 -37.7383 -37.7383 -33.2640 -33.2640 -33.2598 -33.2598 -17.3409 -17.3409 -17.1491 -17.1491 -16.7240 -16.7240 -16.6219 -16.6219 -16.4719 -16.4719 -16.4374 -16.4374 10.1789 10.1789 11.7171 11.7171 11.8839 11.8839 12.6158 12.6158 12.7630 12.7630 13.0944 13.0944 14.6673 14.6673 15.3293 15.3293 16.2055 16.2055 17.1340 17.1340 17.3825 17.3825 17.6143 17.6143 17.6412 17.6412 k = 0.0000 0.0000 0.4007 ( 3922 PWs) bands (ev): -68.9368 -68.9368 -40.6141 -40.6141 -40.5274 -40.5274 -37.7388 -37.7388 -33.2643 -33.2643 -33.2609 -33.2609 -17.3407 -17.3407 -17.1538 -17.1538 -16.7241 -16.7241 -16.6237 -16.6237 -16.4761 -16.4761 -16.4386 -16.4386 10.2525 10.2525 11.7491 11.7491 11.9126 11.9126 12.5933 12.5933 12.7400 12.7400 13.0608 13.0608 14.7223 14.7223 15.3529 15.3529 16.1509 16.1509 17.1303 17.1303 17.3743 17.3743 17.6221 17.6221 17.6416 17.6416 k = 0.0000 0.0000 0.4181 ( 3926 PWs) bands (ev): -68.9367 -68.9367 -40.6125 -40.6125 -40.5276 -40.5276 -37.7393 -37.7393 -33.2646 -33.2646 -33.2620 -33.2620 -17.3406 -17.3406 -17.1585 -17.1585 -16.7244 -16.7244 -16.6255 -16.6255 -16.4806 -16.4806 -16.4398 -16.4398 10.3280 10.3280 11.7822 11.7822 11.9413 11.9413 12.5713 12.5713 12.7174 12.7174 13.0270 13.0270 14.7765 14.7765 15.3758 15.3758 16.0980 16.0980 17.1302 17.1302 17.3654 17.3654 17.6249 17.6249 17.6489 17.6489 k = 0.0000 0.0000 0.4355 ( 3922 PWs) bands (ev): -68.9365 -68.9365 -40.6107 -40.6107 -40.5278 -40.5278 -37.7398 -37.7398 -33.2649 -33.2649 -33.2632 -33.2632 -17.3404 -17.3404 -17.1632 -17.1632 -16.7248 -16.7248 -16.6271 -16.6271 -16.4852 -16.4852 -16.4410 -16.4410 10.4053 10.4053 11.8165 11.8165 11.9698 11.9698 12.5500 12.5500 12.6952 12.6952 12.9932 12.9932 14.8293 14.8293 15.3979 15.3979 16.0470 16.0470 17.1340 17.1340 17.3557 17.3557 17.6237 17.6237 17.6621 17.6621 k = 0.0000 0.0000 0.4530 ( 3914 PWs) bands (ev): -68.9364 -68.9364 -40.6090 -40.6090 -40.5280 -40.5280 -37.7403 -37.7403 -33.2653 -33.2653 -33.2642 -33.2642 -17.3403 -17.3403 -17.1680 -17.1680 -16.7254 -16.7254 -16.6286 -16.6286 -16.4900 -16.4900 -16.4422 -16.4422 10.4838 10.4838 11.8518 11.8518 11.9978 11.9978 12.5295 12.5295 12.6736 12.6736 12.9596 12.9596 14.8806 14.8806 15.4190 15.4190 15.9979 15.9979 17.1418 17.1418 17.3452 17.3452 17.6206 17.6206 17.6785 17.6785 k = 0.0000 0.0000 0.4704 ( 3920 PWs) bands (ev): -68.9363 -68.9363 -40.6072 -40.6072 -40.5282 -40.5282 -37.7409 -37.7409 -33.2659 -33.2659 -33.2651 -33.2651 -17.3401 -17.3401 -17.1729 -17.1729 -16.7261 -16.7261 -16.6299 -16.6299 -16.4948 -16.4948 -16.4434 -16.4434 10.5634 10.5634 11.8881 11.8881 12.0250 12.0250 12.5102 12.5102 12.6530 12.6530 12.9264 12.9264 14.9299 14.9299 15.4391 15.4391 15.9511 15.9511 17.1537 17.1537 17.3337 17.3337 17.6158 17.6158 17.6972 17.6972 k = 0.0000 0.0000 0.4878 ( 3920 PWs) bands (ev): -68.9361 -68.9361 -40.6054 -40.6054 -40.5284 -40.5284 -37.7414 -37.7414 -33.2670 -33.2670 -33.2656 -33.2656 -17.3400 -17.3400 -17.1778 -17.1778 -16.7270 -16.7270 -16.6311 -16.6311 -16.4998 -16.4998 -16.4447 -16.4447 10.6436 10.6436 11.9252 11.9252 12.0508 12.0508 12.4924 12.4924 12.6334 12.6334 12.8941 12.8941 14.9769 14.9769 15.4581 15.4581 15.9064 15.9064 17.1698 17.1698 17.3213 17.3213 17.6089 17.6089 17.7181 17.7181 k = 0.0000 0.0000 0.5052 ( 3920 PWs) bands (ev): -68.9360 -68.9360 -40.6035 -40.6035 -40.5286 -40.5286 -37.7420 -37.7420 -33.2683 -33.2683 -33.2660 -33.2660 -17.3399 -17.3399 -17.1827 -17.1827 -16.7281 -16.7281 -16.6322 -16.6322 -16.5049 -16.5049 -16.4461 -16.4461 10.7239 10.7239 11.9630 11.9630 12.0746 12.0746 12.4765 12.4765 12.6154 12.6154 12.8630 12.8630 15.0212 15.0212 15.4761 15.4761 15.8641 15.8641 17.1902 17.1902 17.3080 17.3080 17.5988 17.5988 17.7410 17.7410 k = 0.0000 0.0000 0.5226 ( 3922 PWs) bands (ev): -68.9358 -68.9358 -40.6016 -40.6016 -40.5288 -40.5288 -37.7426 -37.7426 -33.2695 -33.2695 -33.2663 -33.2663 -17.3398 -17.3398 -17.1877 -17.1877 -16.7293 -16.7293 -16.6331 -16.6331 -16.5101 -16.5101 -16.4475 -16.4475 10.8039 10.8039 12.0011 12.0011 12.0959 12.0959 12.4629 12.4629 12.5993 12.5993 12.8336 12.8336 15.0625 15.0625 15.4929 15.4929 15.8243 15.8243 17.2149 17.2149 17.2936 17.2936 17.5847 17.5847 17.7660 17.7660 k = 0.0000 0.0000 0.5401 ( 3926 PWs) bands (ev): -68.9357 -68.9357 -40.5997 -40.5997 -40.5291 -40.5291 -37.7432 -37.7432 -33.2709 -33.2709 -33.2666 -33.2666 -17.3398 -17.3398 -17.1926 -17.1926 -16.7306 -16.7306 -16.6338 -16.6338 -16.5154 -16.5154 -16.4490 -16.4490 10.8827 10.8827 12.0394 12.0394 12.1139 12.1139 12.4521 12.4521 12.5855 12.5855 12.8065 12.8065 15.1004 15.1004 15.5086 15.5086 15.7870 15.7870 17.2431 17.2431 17.2789 17.2789 17.5658 17.5658 17.7928 17.7928 k = 0.0000 0.0000 0.5575 ( 3922 PWs) bands (ev): -68.9355 -68.9355 -40.5977 -40.5977 -40.5293 -40.5293 -37.7438 -37.7438 -33.2722 -33.2722 -33.2669 -33.2669 -17.3397 -17.3397 -17.1975 -17.1975 -16.7320 -16.7320 -16.6343 -16.6343 -16.5207 -16.5207 -16.4505 -16.4505 10.9598 10.9598 12.0772 12.0772 12.1277 12.1277 12.4448 12.4448 12.5745 12.5745 12.7827 12.7827 15.1347 15.1347 15.5232 15.5232 15.7524 15.7524 17.2567 17.2567 17.2820 17.2820 17.5422 17.5422 17.8200 17.8201 k = 0.0000 0.0000 0.5749 ( 3926 PWs) bands (ev): -68.9354 -68.9354 -40.5958 -40.5958 -40.5295 -40.5295 -37.7444 -37.7444 -33.2735 -33.2735 -33.2673 -33.2673 -17.3397 -17.3397 -17.2025 -17.2025 -16.7336 -16.7336 -16.6347 -16.6347 -16.5261 -16.5261 -16.4522 -16.4522 11.0342 11.0342 12.1140 12.1140 12.1368 12.1368 12.4415 12.4415 12.5664 12.5664 12.7635 12.7635 15.1650 15.1650 15.5367 15.5367 15.7206 15.7206 17.2404 17.2404 17.3179 17.3179 17.5142 17.5142 17.8250 17.8250 k = 0.0000 0.0000 0.5923 ( 3922 PWs) bands (ev): -68.9352 -68.9352 -40.5938 -40.5938 -40.5298 -40.5298 -37.7450 -37.7450 -33.2748 -33.2748 -33.2676 -33.2676 -17.3397 -17.3397 -17.2074 -17.2074 -16.7353 -16.7353 -16.6349 -16.6349 -16.5315 -16.5315 -16.4539 -16.4539 11.1051 11.1051 12.1410 12.1410 12.1485 12.1485 12.4430 12.4430 12.5606 12.5606 12.7506 12.7506 15.1910 15.1910 15.5491 15.5491 15.6917 15.6917 17.2209 17.2209 17.3600 17.3600 17.4829 17.4829 17.8265 17.8265 k = 0.0000 0.0000 0.6097 ( 3922 PWs) bands (ev): -68.9350 -68.9350 -40.5918 -40.5918 -40.5300 -40.5300 -37.7456 -37.7456 -33.2762 -33.2762 -33.2679 -33.2679 -17.3397 -17.3397 -17.2123 -17.2123 -16.7370 -16.7370 -16.6350 -16.6350 -16.5369 -16.5369 -16.4556 -16.4556 11.1715 11.1715 12.1406 12.1406 12.1795 12.1795 12.4502 12.4502 12.5558 12.5558 12.7466 12.7466 15.2128 15.2128 15.5605 15.5605 15.6659 15.6659 17.1997 17.1997 17.4059 17.4059 17.4496 17.4496 17.8315 17.8315 k = 0.0000 0.0000 0.6272 ( 3918 PWs) bands (ev): -68.9349 -68.9349 -40.5898 -40.5898 -40.5302 -40.5302 -37.7462 -37.7462 -33.2775 -33.2775 -33.2682 -33.2682 -17.3398 -17.3398 -17.2171 -17.2171 -16.7388 -16.7388 -16.6350 -16.6350 -16.5424 -16.5424 -16.4575 -16.4575 11.2323 11.2323 12.1362 12.1362 12.2052 12.2052 12.4645 12.4645 12.5504 12.5504 12.7535 12.7535 15.2300 15.2300 15.5708 15.5708 15.6431 15.6431 17.1769 17.1769 17.4120 17.4120 17.4586 17.4586 17.8395 17.8395 k = 0.0000 0.0000 0.6446 ( 3914 PWs) bands (ev): -68.9347 -68.9347 -40.5878 -40.5878 -40.5305 -40.5305 -37.7467 -37.7467 -33.2789 -33.2789 -33.2685 -33.2685 -17.3398 -17.3398 -17.2219 -17.2219 -16.7406 -16.7406 -16.6348 -16.6348 -16.5479 -16.5479 -16.4595 -16.4595 11.2865 11.2865 12.1285 12.1285 12.2246 12.2246 12.4870 12.4870 12.5432 12.5432 12.7725 12.7725 15.2426 15.2426 15.5803 15.5803 15.6234 15.6234 17.1525 17.1525 17.3758 17.3758 17.5126 17.5126 17.8499 17.8500 k = 0.0000 0.0000 0.6620 ( 3916 PWs) bands (ev): -68.9346 -68.9346 -40.5858 -40.5858 -40.5307 -40.5307 -37.7474 -37.7474 -33.2802 -33.2802 -33.2688 -33.2688 -17.3399 -17.3399 -17.2266 -17.2266 -16.7424 -16.7424 -16.6344 -16.6344 -16.5534 -16.5534 -16.4615 -16.4615 11.3334 11.3334 12.1183 12.1183 12.2373 12.2373 12.5176 12.5176 12.5349 12.5349 12.8032 12.8032 15.2507 15.2507 15.5888 15.5888 15.6071 15.6071 17.1264 17.1264 17.3386 17.3386 17.5707 17.5707 17.8624 17.8624 k = 0.0000 0.0000 0.6794 ( 3912 PWs) bands (ev): -68.9344 -68.9344 -40.5838 -40.5838 -40.5310 -40.5310 -37.7480 -37.7480 -33.2816 -33.2816 -33.2691 -33.2691 -17.3400 -17.3400 -17.2313 -17.2313 -16.7443 -16.7443 -16.6340 -16.6340 -16.5589 -16.5589 -16.4636 -16.4636 11.3724 11.3724 12.1064 12.1064 12.2442 12.2442 12.5244 12.5244 12.5573 12.5573 12.8445 12.8445 15.2543 15.2543 15.5933 15.5933 15.5973 15.5973 17.0985 17.0985 17.3013 17.3013 17.6321 17.6321 17.8766 17.8766 k = 0.0000 0.0000 0.6968 ( 3904 PWs) bands (ev): -68.9343 -68.9343 -40.5818 -40.5818 -40.5312 -40.5312 -37.7485 -37.7485 -33.2829 -33.2829 -33.2693 -33.2693 -17.3401 -17.3401 -17.2359 -17.2359 -16.7461 -16.7461 -16.6334 -16.6334 -16.5644 -16.5644 -16.4658 -16.4658 11.4033 11.4033 12.0932 12.0932 12.2466 12.2466 12.5151 12.5151 12.6022 12.6022 12.8950 12.8950 15.2534 15.2534 15.5839 15.5839 15.6038 15.6038 17.0690 17.0690 17.2642 17.2642 17.6966 17.6966 17.8921 17.8921 k = 0.0000 0.0000 0.7143 ( 3900 PWs) bands (ev): -68.9341 -68.9341 -40.5798 -40.5798 -40.5315 -40.5315 -37.7491 -37.7491 -33.2843 -33.2843 -33.2696 -33.2696 -17.3402 -17.3402 -17.2404 -17.2404 -16.7478 -16.7478 -16.6328 -16.6328 -16.5699 -16.5699 -16.4681 -16.4681 11.4263 11.4263 12.0793 12.0793 12.2457 12.2457 12.5065 12.5065 12.6521 12.6521 12.9536 12.9536 15.2483 15.2483 15.5775 15.5775 15.6101 15.6101 17.0376 17.0376 17.2277 17.2277 17.7636 17.7636 17.9090 17.9090 k = 0.0000 0.0000 0.7317 ( 3906 PWs) bands (ev): -68.9340 -68.9340 -40.5778 -40.5778 -40.5317 -40.5317 -37.7497 -37.7497 -33.2856 -33.2856 -33.2699 -33.2699 -17.3403 -17.3403 -17.2449 -17.2449 -16.7496 -16.7496 -16.6321 -16.6321 -16.5753 -16.5753 -16.4705 -16.4705 11.4416 11.4416 12.0649 12.0649 12.2421 12.2421 12.4990 12.4990 12.7058 12.7058 13.0193 13.0193 15.2390 15.2390 15.5742 15.5742 15.6158 15.6158 17.0045 17.0045 17.1921 17.1921 17.8329 17.8329 17.9269 17.9269 k = 0.0000 0.0000 0.7491 ( 3910 PWs) bands (ev): -68.9338 -68.9338 -40.5759 -40.5759 -40.5320 -40.5320 -37.7503 -37.7503 -33.2869 -33.2869 -33.2702 -33.2702 -17.3404 -17.3404 -17.2492 -17.2492 -16.7512 -16.7512 -16.6313 -16.6313 -16.5807 -16.5807 -16.4730 -16.4730 11.4502 11.4502 12.0504 12.0504 12.2366 12.2366 12.4926 12.4926 12.7624 12.7624 13.0911 13.0911 15.2259 15.2259 15.5741 15.5741 15.6210 15.6210 16.9696 16.9696 17.1577 17.1577 17.9033 17.9033 17.9466 17.9466 k = 0.0000 0.0000 0.7665 ( 3906 PWs) bands (ev): -68.9337 -68.9337 -40.5739 -40.5739 -40.5322 -40.5322 -37.7509 -37.7509 -33.2882 -33.2882 -33.2705 -33.2705 -17.3406 -17.3406 -17.2535 -17.2535 -16.7527 -16.7527 -16.6304 -16.6304 -16.5861 -16.5861 -16.4755 -16.4755 11.4528 11.4528 12.0359 12.0359 12.2294 12.2294 12.4872 12.4872 12.8213 12.8213 13.1683 13.1683 15.2093 15.2093 15.5770 15.5770 15.6256 15.6256 16.9330 16.9330 17.1249 17.1249 17.9595 17.9595 17.9826 17.9826 k = 0.0000 0.0000 0.7840 ( 3904 PWs) bands (ev): -68.9335 -68.9335 -40.5720 -40.5720 -40.5325 -40.5325 -37.7515 -37.7515 -33.2895 -33.2895 -33.2707 -33.2707 -17.3407 -17.3407 -17.2577 -17.2577 -16.7541 -16.7541 -16.6295 -16.6295 -16.5914 -16.5914 -16.4782 -16.4782 11.4503 11.4503 12.0217 12.0217 12.2210 12.2210 12.4826 12.4826 12.8819 12.8819 13.2497 13.2497 15.1893 15.1893 15.5828 15.5828 15.6298 15.6298 16.8945 16.8945 17.0940 17.0940 17.9825 17.9825 18.0538 18.0538 k = 0.0000 0.0000 0.8014 ( 3908 PWs) bands (ev): -68.9334 -68.9334 -40.5702 -40.5702 -40.5327 -40.5327 -37.7521 -37.7521 -33.2908 -33.2908 -33.2710 -33.2710 -17.3409 -17.3409 -17.2618 -17.2618 -16.7554 -16.7554 -16.6286 -16.6286 -16.5966 -16.5966 -16.4809 -16.4809 11.4436 11.4436 12.0078 12.0078 12.2116 12.2116 12.4785 12.4785 12.9440 12.9440 13.3345 13.3345 15.1664 15.1664 15.5912 15.5912 15.6336 15.6336 16.8543 16.8543 17.0654 17.0654 18.0032 18.0032 18.1284 18.1284 k = 0.0000 0.0000 0.8188 ( 3900 PWs) bands (ev): -68.9332 -68.9332 -40.5683 -40.5683 -40.5330 -40.5330 -37.7526 -37.7526 -33.2920 -33.2920 -33.2712 -33.2712 -17.3411 -17.3411 -17.2658 -17.2658 -16.7566 -16.7566 -16.6278 -16.6278 -16.6016 -16.6016 -16.4837 -16.4837 11.4335 11.4335 11.9944 11.9944 12.2014 12.2014 12.4745 12.4745 13.0072 13.0072 13.4218 13.4218 15.1409 15.1409 15.6018 15.6018 15.6371 15.6371 16.8122 16.8122 17.0395 17.0395 18.0240 18.0240 18.2038 18.2038 k = 0.0000 0.0000 0.8362 ( 3896 PWs) bands (ev): -68.9331 -68.9331 -40.5665 -40.5665 -40.5332 -40.5332 -37.7531 -37.7531 -33.2932 -33.2932 -33.2715 -33.2715 -17.3412 -17.3412 -17.2696 -17.2696 -16.7576 -16.7576 -16.6272 -16.6272 -16.6064 -16.6064 -16.4865 -16.4865 11.4208 11.4208 11.9816 11.9816 12.1909 12.1909 12.4705 12.4705 13.0716 13.0716 13.5106 13.5106 15.1130 15.1130 15.6143 15.6143 15.6405 15.6405 16.7684 16.7684 17.0167 17.0167 18.0449 18.0449 18.2793 18.2793 k = 0.0000 0.0000 0.8536 ( 3896 PWs) bands (ev): -68.9330 -68.9330 -40.5648 -40.5648 -40.5334 -40.5334 -37.7536 -37.7536 -33.2944 -33.2944 -33.2717 -33.2717 -17.3414 -17.3414 -17.2734 -17.2734 -16.7585 -16.7585 -16.6271 -16.6271 -16.6105 -16.6105 -16.4894 -16.4894 11.4060 11.4060 11.9693 11.9693 12.1801 12.1801 12.4662 12.4662 13.1368 13.1368 13.6002 13.6002 15.0831 15.0831 15.6278 15.6278 15.6440 15.6440 16.7228 16.7228 16.9976 16.9976 18.0659 18.0659 18.3546 18.3546 k = 0.0000 0.0000 0.8711 ( 3908 PWs) bands (ev): -68.9328 -68.9328 -40.5630 -40.5630 -40.5337 -40.5337 -37.7542 -37.7542 -33.2956 -33.2956 -33.2720 -33.2720 -17.3415 -17.3415 -17.2770 -17.2770 -16.7591 -16.7591 -16.6279 -16.6279 -16.6135 -16.6135 -16.4924 -16.4924 11.3898 11.3898 11.9578 11.9578 12.1692 12.1692 12.4616 12.4616 13.2029 13.2029 13.6897 13.6897 15.0517 15.0517 15.6398 15.6398 15.6499 15.6499 16.6755 16.6755 16.9827 16.9827 18.0869 18.0869 18.4291 18.4291 k = 0.0000 0.0000 0.8885 ( 3904 PWs) bands (ev): -68.9327 -68.9327 -40.5614 -40.5614 -40.5339 -40.5339 -37.7547 -37.7547 -33.2967 -33.2967 -33.2722 -33.2722 -17.3417 -17.3417 -17.2806 -17.2806 -16.7597 -16.7597 -16.6303 -16.6303 -16.6149 -16.6149 -16.4955 -16.4955 11.3725 11.3725 11.9469 11.9469 12.1584 12.1584 12.4565 12.4565 13.2696 13.2696 13.7784 13.7784 15.0189 15.0189 15.6454 15.6454 15.6623 15.6623 16.6266 16.6266 16.9724 16.9724 18.1077 18.1077 18.5024 18.5024 k = 0.0000 0.0000 0.9059 ( 3912 PWs) bands (ev): -68.9326 -68.9326 -40.5598 -40.5598 -40.5341 -40.5341 -37.7552 -37.7552 -33.2978 -33.2978 -33.2724 -33.2724 -17.3418 -17.3418 -17.2840 -17.2840 -16.7600 -16.7600 -16.6339 -16.6339 -16.6149 -16.6149 -16.4986 -16.4986 11.3545 11.3545 11.9367 11.9367 12.1479 12.1479 12.4510 12.4510 13.3370 13.3370 13.8657 13.8657 14.9851 14.9851 15.6483 15.6483 15.6771 15.6771 16.5760 16.5760 16.9674 16.9674 18.1284 18.1284 18.5741 18.5741 k = 0.0000 0.0000 0.9233 ( 3912 PWs) bands (ev): -68.9325 -68.9325 -40.5582 -40.5582 -40.5343 -40.5343 -37.7557 -37.7557 -33.2988 -33.2988 -33.2726 -33.2726 -17.3419 -17.3419 -17.2872 -17.2872 -16.7602 -16.7602 -16.6382 -16.6382 -16.6141 -16.6141 -16.5017 -16.5017 11.3362 11.3362 11.9271 11.9271 12.1377 12.1377 12.4451 12.4451 13.4049 13.4049 13.9511 13.9511 14.9507 14.9507 15.6505 15.6505 15.6916 15.6916 16.5239 16.5239 16.9681 16.9681 18.1487 18.1487 18.6435 18.6435 k = 0.0000 0.0000 0.9407 ( 3908 PWs) bands (ev): -68.9324 -68.9324 -40.5567 -40.5567 -40.5345 -40.5345 -37.7561 -37.7561 -33.2998 -33.2998 -33.2728 -33.2728 -17.3420 -17.3420 -17.2904 -17.2904 -16.7602 -16.7602 -16.6428 -16.6428 -16.6129 -16.6129 -16.5049 -16.5049 11.3178 11.3178 11.9183 11.9183 12.1278 12.1278 12.4387 12.4387 13.4732 13.4732 14.0339 14.0339 14.9160 14.9160 15.6524 15.6524 15.7049 15.7049 16.4704 16.4704 16.9748 16.9748 18.1686 18.1686 18.7099 18.7099 k = 0.0000 0.0000 0.9582 ( 3910 PWs) bands (ev): -68.9323 -68.9323 -40.5553 -40.5553 -40.5347 -40.5347 -37.7566 -37.7566 -33.3008 -33.3008 -33.2730 -33.2730 -17.3421 -17.3421 -17.2934 -17.2934 -16.7600 -16.7600 -16.6476 -16.6476 -16.6114 -16.6114 -16.5081 -16.5081 11.2995 11.2995 11.9101 11.9101 12.1184 12.1184 12.4320 12.4320 13.5417 13.5417 14.1137 14.1137 14.8813 14.8813 15.6541 15.6541 15.7164 15.7164 16.4157 16.4157 16.9879 16.9879 18.1881 18.1881 18.7724 18.7724 k = 0.0000 0.0000 0.9756 ( 3914 PWs) bands (ev): -68.9322 -68.9322 -40.5539 -40.5539 -40.5349 -40.5349 -37.7570 -37.7570 -33.3017 -33.3017 -33.2732 -33.2732 -17.3421 -17.3421 -17.2963 -17.2963 -16.7596 -16.7596 -16.6524 -16.6524 -16.6097 -16.6097 -16.5113 -16.5113 11.2817 11.2817 11.9026 11.9026 12.1096 12.1096 12.4251 12.4251 13.6104 13.6104 14.1903 14.1903 14.8469 14.8469 15.6557 15.6557 15.7256 15.7256 16.3598 16.3598 17.0072 17.0072 18.2069 18.2069 18.8296 18.8296 k = 0.0000 0.0000 0.9930 ( 3914 PWs) bands (ev): -68.9321 -68.9321 -40.5526 -40.5526 -40.5351 -40.5351 -37.7574 -37.7574 -33.3026 -33.3026 -33.2733 -33.2733 -17.3421 -17.3421 -17.2991 -17.2991 -16.7590 -16.7590 -16.6572 -16.6572 -16.6079 -16.6079 -16.5146 -16.5146 11.2643 11.2643 11.8957 11.8957 12.1013 12.1013 12.4180 12.4180 13.6791 13.6791 14.2631 14.2631 14.8131 14.8131 15.6570 15.6570 15.7322 15.7322 16.3030 16.3030 17.0326 17.0326 18.2251 18.2251 18.8803 18.8803 k = 0.0000 0.0000 1.0104 ( 3918 PWs) bands (ev): -68.9320 -68.9320 -40.5513 -40.5513 -40.5353 -40.5353 -37.7578 -37.7578 -33.3034 -33.3034 -33.2735 -33.2735 -17.3421 -17.3421 -17.3018 -17.3018 -16.7582 -16.7582 -16.6619 -16.6619 -16.6060 -16.6060 -16.5179 -16.5179 11.2475 11.2475 11.8894 11.8894 12.0935 12.0935 12.4108 12.4108 13.7475 13.7475 14.3321 14.3321 14.7802 14.7802 15.6582 15.6582 15.7361 15.7361 16.2455 16.2455 17.0638 17.0638 18.2425 18.2425 18.9236 18.9236 k = 0.0000 0.0000 1.0279 ( 3914 PWs) bands (ev): -68.9319 -68.9319 -40.5502 -40.5502 -40.5354 -40.5354 -37.7581 -37.7581 -33.3042 -33.3042 -33.2736 -33.2736 -17.3421 -17.3421 -17.3043 -17.3043 -16.7573 -16.7573 -16.6666 -16.6666 -16.6039 -16.6039 -16.5212 -16.5212 11.2316 11.2316 11.8836 11.8836 12.0864 12.0864 12.4037 12.4037 13.8155 13.8155 14.3969 14.3969 14.7485 14.7485 15.6592 15.6592 15.7375 15.7375 16.1875 16.1875 17.1000 17.1000 18.2590 18.2590 18.9601 18.9601 k = 0.0000 0.0000 1.0453 ( 3906 PWs) bands (ev): -68.9318 -68.9318 -40.5491 -40.5491 -40.5356 -40.5356 -37.7584 -37.7584 -33.3049 -33.3049 -33.2737 -33.2737 -17.3420 -17.3420 -17.3066 -17.3066 -16.7561 -16.7561 -16.6713 -16.6713 -16.6019 -16.6019 -16.5244 -16.5244 11.2165 11.2165 11.8784 11.8784 12.0799 12.0799 12.3967 12.3967 13.8828 13.8828 14.4573 14.4573 14.7183 14.7183 15.6601 15.6601 15.7364 15.7364 16.1294 16.1294 17.1403 17.1403 18.2747 18.2747 18.9910 18.9910 k = 0.0000 0.0000 1.0627 ( 3908 PWs) bands (ev): -68.9317 -68.9317 -40.5481 -40.5481 -40.5357 -40.5357 -37.7587 -37.7587 -33.3056 -33.3056 -33.2739 -33.2739 -17.3420 -17.3420 -17.3089 -17.3089 -16.7548 -16.7548 -16.6758 -16.6758 -16.5997 -16.5997 -16.5277 -16.5277 11.2023 11.2023 11.8737 11.8737 12.0740 12.0740 12.3898 12.3898 13.9491 13.9491 14.5128 14.5128 14.6904 14.6904 15.6607 15.6607 15.7331 15.7331 16.0715 16.0715 17.1838 17.1838 18.2893 18.2893 19.0177 19.0177 k = 0.0000 0.0000 1.0801 ( 3904 PWs) bands (ev): -68.9317 -68.9317 -40.5472 -40.5472 -40.5359 -40.5359 -37.7590 -37.7590 -33.3062 -33.3062 -33.2740 -33.2740 -17.3418 -17.3418 -17.3110 -17.3110 -16.7534 -16.7534 -16.6803 -16.6803 -16.5975 -16.5975 -16.5309 -16.5309 11.1892 11.1892 11.8695 11.8695 12.0687 12.0687 12.3833 12.3833 14.0139 14.0139 14.5620 14.5620 14.6662 14.6662 15.6610 15.6610 15.7282 15.7282 16.0142 16.0142 17.2293 17.2293 18.3029 18.3029 19.0412 19.0412 k = 0.0000 0.0000 1.0975 ( 3904 PWs) bands (ev): -68.9316 -68.9316 -40.5463 -40.5463 -40.5360 -40.5360 -37.7592 -37.7592 -33.3068 -33.3068 -33.2741 -33.2741 -17.3417 -17.3417 -17.3129 -17.3129 -16.7517 -16.7517 -16.6846 -16.6846 -16.5953 -16.5953 -16.5341 -16.5341 11.1772 11.1772 11.8658 11.8658 12.0639 12.0639 12.3772 12.3772 14.0769 14.0769 14.5974 14.5974 14.6532 14.6532 15.6609 15.6609 15.7221 15.7221 15.9580 15.9580 17.2754 17.2754 18.3154 18.3154 19.0620 19.0620 k = 0.0000 0.0000 1.1150 ( 3904 PWs) bands (ev): -68.9315 -68.9315 -40.5455 -40.5455 -40.5361 -40.5361 -37.7595 -37.7595 -33.3073 -33.3073 -33.2742 -33.2742 -17.3415 -17.3415 -17.3147 -17.3147 -16.7500 -16.7500 -16.6888 -16.6888 -16.5930 -16.5930 -16.5373 -16.5373 11.1663 11.1663 11.8625 11.8625 12.0598 12.0598 12.3715 12.3715 14.1375 14.1375 14.5983 14.5983 14.6723 14.6723 15.6605 15.6605 15.7153 15.7153 15.9036 15.9036 17.3211 17.3211 18.3267 18.3267 19.0804 19.0804 k = 0.0000 0.0000 1.1324 ( 3908 PWs) bands (ev): -68.9315 -68.9315 -40.5449 -40.5449 -40.5362 -40.5362 -37.7597 -37.7597 -33.3078 -33.3078 -33.2743 -33.2743 -17.3413 -17.3413 -17.3163 -17.3163 -16.7481 -16.7481 -16.6928 -16.6928 -16.5907 -16.5907 -16.5403 -16.5403 11.1566 11.1566 11.8596 11.8596 12.0563 12.0563 12.3663 12.3663 14.1949 14.1949 14.5826 14.5826 14.7058 14.7058 15.6594 15.6594 15.7085 15.7085 15.8517 15.8517 17.3650 17.3650 18.3368 18.3368 19.0966 19.0966 k = 0.0000 0.0000 1.1498 ( 3904 PWs) bands (ev): -68.9314 -68.9314 -40.5443 -40.5443 -40.5363 -40.5363 -37.7598 -37.7598 -33.3081 -33.3081 -33.2743 -33.2743 -17.3411 -17.3411 -17.3177 -17.3177 -16.7462 -16.7462 -16.6966 -16.6966 -16.5884 -16.5884 -16.5432 -16.5432 11.1481 11.1481 11.8571 11.8571 12.0532 12.0532 12.3617 12.3617 14.2484 14.2484 14.5658 14.5658 14.7380 14.7380 15.6577 15.6577 15.7020 15.7020 15.8031 15.8031 17.4059 17.4059 18.3457 18.3457 19.1107 19.1107 k = 0.0000 0.0000 1.1672 ( 3910 PWs) bands (ev): -68.9314 -68.9314 -40.5438 -40.5438 -40.5363 -40.5363 -37.7600 -37.7600 -33.3085 -33.3085 -33.2744 -33.2744 -17.3409 -17.3409 -17.3190 -17.3190 -16.7442 -16.7442 -16.7001 -16.7001 -16.5862 -16.5862 -16.5460 -16.5460 11.1408 11.1408 11.8551 11.8551 12.0507 12.0507 12.3577 12.3577 14.2969 14.2969 14.5507 14.5507 14.7662 14.7662 15.6552 15.6552 15.6963 15.6963 15.7591 15.7591 17.4427 17.4427 18.3532 18.3532 19.1226 19.1226 k = 0.0000 0.0000 1.1846 ( 3906 PWs) bands (ev): -68.9314 -68.9314 -40.5434 -40.5434 -40.5364 -40.5364 -37.7601 -37.7601 -33.3087 -33.3087 -33.2744 -33.2744 -17.3407 -17.3407 -17.3201 -17.3201 -16.7422 -16.7422 -16.7034 -16.7034 -16.5842 -16.5842 -16.5485 -16.5485 11.1349 11.1349 11.8534 11.8534 12.0487 12.0487 12.3544 12.3544 14.3393 14.3393 14.5378 14.5378 14.7897 14.7897 15.6523 15.6523 15.6909 15.6909 15.7216 15.7216 17.4743 17.4743 18.3594 18.3594 19.1323 19.1323 k = 0.0000 0.0000 1.2021 ( 3912 PWs) bands (ev): -68.9314 -68.9314 -40.5430 -40.5430 -40.5364 -40.5364 -37.7602 -37.7602 -33.3090 -33.3090 -33.2745 -33.2745 -17.3405 -17.3405 -17.3209 -17.3209 -16.7404 -16.7404 -16.7062 -16.7062 -16.5823 -16.5823 -16.5508 -16.5508 11.1302 11.1302 11.8521 11.8521 12.0472 12.0472 12.3518 12.3518 14.3743 14.3743 14.5276 14.5276 14.8083 14.8083 15.6492 15.6492 15.6799 15.6799 15.6975 15.6975 17.4999 17.4999 18.3643 18.3643 19.1399 19.1399 k = 0.0000 0.0000 1.2195 ( 3916 PWs) bands (ev): -68.9313 -68.9313 -40.5428 -40.5428 -40.5365 -40.5365 -37.7603 -37.7603 -33.3091 -33.3091 -33.2745 -33.2745 -17.3404 -17.3404 -17.3215 -17.3215 -16.7389 -16.7389 -16.7084 -16.7084 -16.5808 -16.5808 -16.5525 -16.5525 11.1269 11.1269 11.8511 11.8511 12.0461 12.0461 12.3499 12.3499 14.4006 14.4006 14.5201 14.5201 14.8217 14.8217 15.6464 15.6464 15.6601 15.6601 15.6914 15.6914 17.5188 17.5188 18.3677 18.3677 19.1454 19.1454 k = 0.0000 0.0000 1.2369 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5427 -40.5427 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2746 -33.2746 -17.3403 -17.3403 -17.3219 -17.3219 -16.7379 -16.7379 -16.7099 -16.7099 -16.5798 -16.5798 -16.5537 -16.5537 11.1249 11.1249 11.8506 11.8506 12.0455 12.0455 12.3487 12.3487 14.4171 14.4171 14.5155 14.5155 14.8297 14.8297 15.6437 15.6437 15.6468 15.6468 15.6897 15.6897 17.5303 17.5303 18.3698 18.3698 19.1487 19.1487 k = 0.0000 0.0000 1.2543 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2746 -33.2746 -17.3402 -17.3402 -17.3220 -17.3220 -16.7375 -16.7375 -16.7104 -16.7104 -16.5794 -16.5794 -16.5541 -16.5541 11.1242 11.1242 11.8504 11.8504 12.0452 12.0452 12.3484 12.3484 14.4227 14.4227 14.5139 14.5139 14.8324 14.8324 15.6403 15.6403 15.6446 15.6446 15.6892 15.6892 17.5342 17.5342 18.3705 18.3705 19.1498 19.1498 k = 0.0000 0.0000 1.2543 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2746 -33.2746 -17.3402 -17.3402 -17.3220 -17.3220 -16.7375 -16.7375 -16.7104 -16.7104 -16.5794 -16.5794 -16.5541 -16.5541 11.1242 11.1242 11.8504 11.8504 12.0452 12.0452 12.3484 12.3484 14.4227 14.4227 14.5139 14.5139 14.8324 14.8324 15.6403 15.6403 15.6446 15.6446 15.6892 15.6892 17.5342 17.5342 18.3705 18.3705 19.1498 19.1498 k =-0.0067 0.0155 1.2543 ( 3916 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3092 -33.3092 -33.2745 -33.2745 -17.3402 -17.3402 -17.3220 -17.3220 -16.7378 -16.7378 -16.7100 -16.7100 -16.5796 -16.5796 -16.5539 -16.5539 11.1252 11.1252 11.8507 11.8507 12.0456 12.0456 12.3488 12.3488 14.4148 14.4148 14.5148 14.5148 14.8386 14.8386 15.6108 15.6108 15.6607 15.6607 15.6980 15.6980 17.5320 17.5320 18.3694 18.3694 19.1492 19.1492 k =-0.0135 0.0310 1.2543 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5367 -40.5367 -37.7603 -37.7603 -33.3092 -33.3092 -33.2745 -33.2745 -17.3399 -17.3399 -17.3220 -17.3220 -16.7386 -16.7386 -16.7087 -16.7087 -16.5801 -16.5801 -16.5534 -16.5534 11.1281 11.1281 11.8517 11.8517 12.0466 12.0466 12.3503 12.3503 14.3929 14.3929 14.5170 14.5170 14.8561 14.8561 15.5723 15.5723 15.6641 15.6641 15.7193 15.7193 17.5255 17.5255 18.3660 18.3660 19.1476 19.1476 k =-0.0202 0.0466 1.2543 ( 3920 PWs) bands (ev): -68.9314 -68.9314 -40.5426 -40.5426 -40.5369 -40.5369 -37.7603 -37.7603 -33.3090 -33.3090 -33.2745 -33.2745 -17.3395 -17.3395 -17.3219 -17.3219 -16.7399 -16.7399 -16.7067 -16.7067 -16.5809 -16.5809 -16.5524 -16.5524 11.1329 11.1329 11.8534 11.8534 12.0484 12.0484 12.3526 12.3526 14.3600 14.3600 14.5201 14.5201 14.8819 14.8819 15.5286 15.5286 15.6618 15.6618 15.7425 15.7425 17.5151 17.5151 18.3602 18.3602 19.1449 19.1449 k =-0.0270 0.0621 1.2543 ( 3908 PWs) bands (ev): -68.9314 -68.9314 -40.5426 -40.5426 -40.5372 -40.5372 -37.7601 -37.7601 -33.3088 -33.3088 -33.2745 -33.2745 -17.3390 -17.3390 -17.3217 -17.3217 -16.7414 -16.7414 -16.7042 -16.7042 -16.5819 -16.5819 -16.5512 -16.5512 11.1396 11.1396 11.8556 11.8556 12.0508 12.0508 12.3559 12.3559 14.3194 14.3194 14.5239 14.5239 14.9131 14.9131 15.4800 15.4800 15.6572 15.6572 15.7643 15.7643 17.5009 17.5009 18.3522 18.3522 19.1411 19.1411 k =-0.0337 0.0776 1.2543 ( 3904 PWs) bands (ev): -68.9314 -68.9314 -40.5425 -40.5425 -40.5375 -40.5375 -37.7600 -37.7600 -33.3085 -33.3085 -33.2744 -33.2744 -17.3382 -17.3382 -17.3215 -17.3215 -16.7430 -16.7430 -16.7013 -16.7013 -16.5831 -16.5831 -16.5498 -16.5498 11.1482 11.1482 11.8586 11.8586 12.0539 12.0539 12.3601 12.3601 14.2731 14.2731 14.5284 14.5284 14.9475 14.9475 15.4265 15.4265 15.6511 15.6511 15.7843 15.7843 17.4835 17.4835 18.3418 18.3418 19.1363 19.1363 k =-0.0405 0.0931 1.2543 ( 3912 PWs) bands (ev): -68.9314 -68.9314 -40.5425 -40.5425 -40.5380 -40.5380 -37.7599 -37.7599 -33.3082 -33.3082 -33.2744 -33.2744 -17.3374 -17.3374 -17.3213 -17.3213 -16.7447 -16.7447 -16.6981 -16.6981 -16.5844 -16.5844 -16.5481 -16.5481 11.1587 11.1587 11.8621 11.8621 12.0576 12.0576 12.3651 12.3651 14.2229 14.2229 14.5335 14.5335 14.9833 14.9833 15.3684 15.3684 15.6437 15.6437 15.8025 15.8025 17.4633 17.4633 18.3290 18.3290 19.1303 19.1303 k =-0.0472 0.1087 1.2543 ( 3910 PWs) bands (ev): -68.9315 -68.9315 -40.5424 -40.5424 -40.5385 -40.5385 -37.7597 -37.7597 -33.3078 -33.3078 -33.2743 -33.2743 -17.3364 -17.3364 -17.3210 -17.3210 -16.7464 -16.7464 -16.6945 -16.6945 -16.5858 -16.5858 -16.5463 -16.5463 11.1710 11.1710 11.8663 11.8663 12.0620 12.0620 12.3710 12.3710 14.1696 14.1696 14.5390 14.5390 15.0194 15.0194 15.3058 15.3058 15.6355 15.6355 15.8192 15.8192 17.4410 17.4410 18.3139 18.3139 19.1232 19.1232 k =-0.0472 0.1087 1.2543 ( 3910 PWs) bands (ev): -68.9315 -68.9315 -40.5424 -40.5424 -40.5385 -40.5385 -37.7597 -37.7597 -33.3078 -33.3078 -33.2743 -33.2743 -17.3364 -17.3364 -17.3210 -17.3210 -16.7464 -16.7464 -16.6945 -16.6945 -16.5858 -16.5858 -16.5463 -16.5463 11.1710 11.1710 11.8663 11.8663 12.0620 12.0620 12.3710 12.3710 14.1696 14.1696 14.5390 14.5390 15.0194 15.0194 15.3058 15.3058 15.6355 15.6355 15.8192 15.8192 17.4410 17.4410 18.3139 18.3139 19.1232 19.1232 k =-0.0520 0.1197 1.2422 ( 3914 PWs) bands (ev): -68.9315 -68.9315 -40.5424 -40.5424 -40.5389 -40.5389 -37.7596 -37.7596 -33.3075 -33.3075 -33.2742 -33.2742 -17.3356 -17.3356 -17.3207 -17.3207 -16.7476 -16.7476 -16.6918 -16.6918 -16.5870 -16.5870 -16.5448 -16.5448 11.1812 11.1812 11.8696 11.8696 12.0657 12.0657 12.3758 12.3758 14.1273 14.1273 14.5439 14.5439 15.0439 15.0439 15.2615 15.2615 15.6293 15.6293 15.8301 15.8301 17.4227 17.4227 18.3012 18.3012 19.1162 19.1162 k =-0.0569 0.1308 1.2302 ( 3915 PWs) bands (ev): -68.9316 -68.9316 -40.5424 -40.5424 -40.5394 -40.5394 -37.7594 -37.7594 -33.3072 -33.3072 -33.2742 -33.2742 -17.3349 -17.3349 -17.3202 -17.3202 -16.7488 -16.7488 -16.6887 -16.6887 -16.5883 -16.5883 -16.5431 -16.5431 11.1929 11.1929 11.8730 11.8730 12.0700 12.0700 12.3814 12.3814 14.0780 14.0780 14.5504 14.5504 15.0661 15.0661 15.2216 15.2216 15.6227 15.6227 15.8396 15.8396 17.4015 17.4015 18.2865 18.2865 19.1052 19.1052 k =-0.0617 0.1419 1.2181 ( 3913 PWs) bands (ev): -68.9316 -68.9316 -40.5425 -40.5425 -40.5399 -40.5399 -37.7592 -37.7592 -33.3068 -33.3068 -33.2741 -33.2741 -17.3341 -17.3341 -17.3196 -17.3196 -16.7501 -16.7501 -16.6853 -16.6853 -16.5898 -16.5898 -16.5411 -16.5411 11.2062 11.2062 11.8764 11.8764 12.0752 12.0752 12.3877 12.3877 14.0221 14.0221 14.5586 14.5586 15.0853 15.0853 15.1872 15.1872 15.6161 15.6161 15.8471 15.8471 17.3781 17.3781 18.2696 18.2696 19.0891 19.0891 k =-0.0665 0.1530 1.2060 ( 3907 PWs) bands (ev): -68.9317 -68.9317 -40.5426 -40.5426 -40.5404 -40.5404 -37.7590 -37.7590 -33.3063 -33.3063 -33.2739 -33.2739 -17.3333 -17.3333 -17.3188 -17.3188 -16.7513 -16.7513 -16.6816 -16.6816 -16.5914 -16.5914 -16.5390 -16.5390 11.2209 11.2209 11.8797 11.8797 12.0813 12.0813 12.3948 12.3948 13.9599 13.9599 14.5683 14.5683 15.0982 15.0982 15.1618 15.1618 15.6094 15.6094 15.8521 15.8521 17.3529 17.3529 18.2508 18.2508 19.0668 19.0668 k =-0.0713 0.1641 1.1939 ( 3909 PWs) bands (ev): -68.9317 -68.9317 -40.5427 -40.5427 -40.5410 -40.5410 -37.7588 -37.7588 -33.3058 -33.3058 -33.2738 -33.2738 -17.3325 -17.3325 -17.3180 -17.3180 -16.7524 -16.7524 -16.6778 -16.6778 -16.5930 -16.5930 -16.5367 -16.5367 11.2371 11.2371 11.8826 11.8826 12.0884 12.0884 12.4026 12.4026 13.8919 13.8919 14.5795 14.5795 15.0953 15.0953 15.1550 15.1550 15.6029 15.6029 15.8545 15.8545 17.3268 17.3268 18.2300 18.2300 19.0380 19.0380 k =-0.0761 0.1752 1.1818 ( 3911 PWs) bands (ev): -68.9318 -68.9318 -40.5428 -40.5428 -40.5415 -40.5415 -37.7585 -37.7585 -33.3053 -33.3053 -33.2737 -33.2737 -17.3317 -17.3317 -17.3170 -17.3170 -16.7534 -16.7534 -16.6738 -16.6738 -16.5947 -16.5947 -16.5344 -16.5344 11.2548 11.2548 11.8850 11.8850 12.0966 12.0966 12.4110 12.4110 13.8188 13.8188 14.5921 14.5921 15.0774 15.0774 15.1656 15.1656 15.5967 15.5967 15.8540 15.8540 17.3001 17.3001 18.2073 18.2073 19.0033 19.0033 k =-0.0809 0.1862 1.1697 ( 3913 PWs) bands (ev): -68.9318 -68.9318 -40.5430 -40.5430 -40.5422 -40.5422 -37.7582 -37.7582 -33.3047 -33.3047 -33.2735 -33.2735 -17.3309 -17.3309 -17.3159 -17.3159 -16.7543 -16.7543 -16.6697 -16.6697 -16.5964 -16.5964 -16.5319 -16.5319 11.2738 11.2738 11.8867 11.8867 12.1060 12.1060 12.4202 12.4202 13.7412 13.7412 14.6062 14.6062 15.0560 15.0560 15.1819 15.1819 15.5909 15.5909 15.8507 15.8507 17.2734 17.2734 18.1829 18.1829 18.9637 18.9637 k =-0.0858 0.1973 1.1577 ( 3911 PWs) bands (ev): -68.9319 -68.9319 -40.5433 -40.5433 -40.5428 -40.5428 -37.7579 -37.7579 -33.3041 -33.3041 -33.2733 -33.2733 -17.3300 -17.3300 -17.3147 -17.3147 -16.7550 -16.7550 -16.6654 -16.6654 -16.5980 -16.5980 -16.5294 -16.5294 11.2943 11.2943 11.8875 11.8875 12.1166 12.1166 12.4299 12.4299 13.6600 13.6600 14.6215 14.6215 15.0345 15.0345 15.2000 15.2000 15.5858 15.5858 15.8446 15.8446 17.2470 17.2470 18.1568 18.1568 18.9201 18.9201 k =-0.0906 0.2084 1.1456 ( 3911 PWs) bands (ev): -68.9320 -68.9320 -40.5435 -40.5435 -40.5434 -40.5434 -37.7576 -37.7576 -33.3035 -33.3035 -33.2731 -33.2731 -17.3292 -17.3292 -17.3135 -17.3135 -16.7556 -16.7556 -16.6610 -16.6610 -16.5997 -16.5997 -16.5269 -16.5269 11.3160 11.3160 11.8874 11.8874 12.1285 12.1285 12.4403 12.4403 13.5758 13.5758 14.6381 14.6381 15.0133 15.0133 15.2188 15.2188 15.5814 15.5814 15.8362 15.8362 17.2212 17.2212 18.1291 18.1291 18.8735 18.8735 k =-0.0954 0.2195 1.1335 ( 3909 PWs) bands (ev): -68.9321 -68.9321 -40.5441 -40.5441 -40.5438 -40.5438 -37.7573 -37.7573 -33.3028 -33.3028 -33.2729 -33.2729 -17.3284 -17.3284 -17.3122 -17.3122 -16.7560 -16.7560 -16.6566 -16.6566 -16.6013 -16.6013 -16.5243 -16.5243 11.3390 11.3390 11.8862 11.8862 12.1417 12.1417 12.4513 12.4513 13.4893 13.4893 14.6557 14.6557 14.9921 14.9921 15.2381 15.2381 15.5780 15.5780 15.8259 15.8259 17.1962 17.1962 18.1000 18.1000 18.8246 18.8246 k =-0.1002 0.2306 1.1214 ( 3907 PWs) bands (ev): -68.9322 -68.9322 -40.5448 -40.5448 -40.5441 -40.5441 -37.7569 -37.7569 -33.3022 -33.3022 -33.2726 -33.2726 -17.3276 -17.3276 -17.3108 -17.3108 -16.7562 -16.7562 -16.6521 -16.6521 -16.6028 -16.6028 -16.5217 -16.5217 11.3632 11.3632 11.8840 11.8840 12.1560 12.1560 12.4628 12.4628 13.4011 13.4011 14.6742 14.6742 14.9704 14.9704 15.2578 15.2578 15.5757 15.5757 15.8143 15.8143 17.1720 17.1720 18.0695 18.0695 18.7739 18.7739 k =-0.1050 0.2416 1.1093 ( 3909 PWs) bands (ev): -68.9323 -68.9323 -40.5455 -40.5455 -40.5445 -40.5445 -37.7565 -37.7565 -33.3015 -33.3015 -33.2723 -33.2723 -17.3268 -17.3268 -17.3095 -17.3095 -16.7563 -16.7563 -16.6476 -16.6476 -16.6041 -16.6041 -16.5191 -16.5191 11.3885 11.3885 11.8807 11.8807 12.1715 12.1715 12.4748 12.4748 13.3118 13.3118 14.6934 14.6934 14.9478 14.9478 15.2777 15.2777 15.5749 15.5749 15.8022 15.8022 17.1489 17.1489 18.0379 18.0379 18.7221 18.7221 k =-0.1098 0.2527 1.0972 ( 3907 PWs) bands (ev): -68.9323 -68.9323 -40.5462 -40.5462 -40.5448 -40.5448 -37.7562 -37.7562 -33.3009 -33.3009 -33.2719 -33.2719 -17.3260 -17.3260 -17.3081 -17.3081 -16.7561 -16.7561 -16.6432 -16.6432 -16.6054 -16.6054 -16.5165 -16.5165 11.4149 11.4149 11.8762 11.8762 12.1879 12.1879 12.4874 12.4874 13.2221 13.2221 14.7130 14.7130 14.9239 14.9239 15.2978 15.2978 15.5755 15.5755 15.7902 15.7902 17.1267 17.1267 18.0051 18.0051 18.6694 18.6694 k =-0.1147 0.2638 1.0852 ( 3906 PWs) bands (ev): -68.9324 -68.9324 -40.5470 -40.5470 -40.5452 -40.5452 -37.7558 -37.7558 -33.3002 -33.3002 -33.2715 -33.2715 -17.3251 -17.3251 -17.3068 -17.3068 -16.7558 -16.7558 -16.6389 -16.6389 -16.6064 -16.6064 -16.5139 -16.5139 11.4422 11.4422 11.8708 11.8708 12.2053 12.2053 12.5003 12.5003 13.1323 13.1323 14.7325 14.7325 14.8986 14.8986 15.3178 15.3178 15.5779 15.5779 15.7793 15.7793 17.1055 17.1055 17.9713 17.9713 18.6163 18.6163 k =-0.1195 0.2749 1.0731 ( 3900 PWs) bands (ev): -68.9325 -68.9325 -40.5477 -40.5477 -40.5456 -40.5456 -37.7553 -37.7553 -33.2996 -33.2996 -33.2711 -33.2711 -17.3243 -17.3243 -17.3055 -17.3055 -16.7553 -16.7553 -16.6349 -16.6349 -16.6070 -16.6070 -16.5113 -16.5113 11.4704 11.4704 11.8644 11.8644 12.2233 12.2233 12.5136 12.5136 13.0430 13.0430 14.7505 14.7505 14.8728 14.8728 15.3376 15.3376 15.5823 15.5823 15.7702 15.7702 17.0852 17.0852 17.9367 17.9367 18.5631 18.5631 k =-0.1243 0.2860 1.0610 ( 3898 PWs) bands (ev): -68.9326 -68.9326 -40.5485 -40.5485 -40.5461 -40.5461 -37.7549 -37.7549 -33.2989 -33.2989 -33.2706 -33.2706 -17.3235 -17.3235 -17.3042 -17.3042 -16.7545 -16.7545 -16.6313 -16.6313 -16.6070 -16.6070 -16.5088 -16.5088 11.4992 11.4992 11.8571 11.8571 12.2417 12.2417 12.5273 12.5273 12.9548 12.9548 14.7634 14.7634 14.8496 14.8496 15.3568 15.3568 15.5889 15.5889 15.7637 15.7637 17.0658 17.0658 17.9013 17.9013 18.5101 18.5101 k =-0.1291 0.2971 1.0489 ( 3897 PWs) bands (ev): -68.9327 -68.9327 -40.5492 -40.5492 -40.5465 -40.5465 -37.7545 -37.7545 -33.2984 -33.2984 -33.2700 -33.2700 -17.3227 -17.3227 -17.3029 -17.3029 -16.7536 -16.7536 -16.6286 -16.6286 -16.6062 -16.6062 -16.5062 -16.5062 11.5286 11.5286 11.8492 11.8492 12.2603 12.2603 12.5411 12.5411 12.8683 12.8683 14.7608 14.7608 14.8393 14.8393 15.3754 15.3754 15.5978 15.5978 15.7603 15.7603 17.0473 17.0473 17.8652 17.8652 18.4576 18.4576 k =-0.1339 0.3081 1.0368 ( 3905 PWs) bands (ev): -68.9328 -68.9328 -40.5500 -40.5500 -40.5470 -40.5470 -37.7541 -37.7541 -33.2978 -33.2978 -33.2695 -33.2695 -17.3219 -17.3219 -17.3017 -17.3017 -16.7525 -16.7525 -16.6269 -16.6269 -16.6043 -16.6043 -16.5038 -16.5038 11.5582 11.5582 11.8407 11.8407 12.2786 12.2786 12.5548 12.5548 12.7845 12.7845 14.7369 14.7369 14.8474 14.8474 15.3930 15.3930 15.6092 15.6092 15.7605 15.7605 17.0295 17.0295 17.8286 17.8286 18.4058 18.4058 k =-0.1387 0.3192 1.0247 ( 3910 PWs) bands (ev): -68.9330 -68.9330 -40.5508 -40.5508 -40.5475 -40.5475 -37.7537 -37.7537 -33.2973 -33.2973 -33.2689 -33.2689 -17.3211 -17.3211 -17.3005 -17.3005 -16.7512 -16.7512 -16.6262 -16.6262 -16.6014 -16.6014 -16.5014 -16.5014 11.5875 11.5875 11.8321 11.8321 12.2960 12.2960 12.5672 12.5672 12.7052 12.7052 14.7012 14.7012 14.8644 14.8644 15.4097 15.4097 15.6233 15.6233 15.7645 15.7645 17.0127 17.0127 17.7915 17.7915 18.3548 18.3548 k =-0.1436 0.3303 1.0127 ( 3910 PWs) bands (ev): -68.9331 -68.9331 -40.5515 -40.5515 -40.5479 -40.5479 -37.7532 -37.7532 -33.2968 -33.2968 -33.2682 -33.2682 -17.3204 -17.3204 -17.2994 -17.2994 -16.7497 -16.7497 -16.6262 -16.6262 -16.5976 -16.5976 -16.4990 -16.4990 11.6160 11.6160 11.8238 11.8238 12.3109 12.3109 12.5721 12.5721 12.6385 12.6385 14.6598 14.6598 14.8842 14.8842 15.4253 15.4253 15.6402 15.6402 15.7724 15.7724 16.9967 16.9967 17.7541 17.7541 18.3049 18.3049 k =-0.1484 0.3414 1.0006 ( 3910 PWs) bands (ev): -68.9332 -68.9332 -40.5523 -40.5523 -40.5484 -40.5484 -37.7528 -37.7528 -33.2963 -33.2963 -33.2675 -33.2675 -17.3196 -17.3196 -17.2984 -17.2984 -16.7480 -16.7480 -16.6268 -16.6268 -16.5933 -16.5933 -16.4967 -16.4967 11.6426 11.6426 11.8168 11.8168 12.3203 12.3203 12.5394 12.5394 12.6177 12.6177 14.6148 14.6148 14.9048 14.9048 15.4400 15.4400 15.6599 15.6599 15.7838 15.7838 16.9817 16.9817 17.7164 17.7164 18.2563 18.2563 k =-0.1532 0.3525 0.9885 ( 3918 PWs) bands (ev): -68.9333 -68.9333 -40.5531 -40.5531 -40.5489 -40.5489 -37.7524 -37.7524 -33.2959 -33.2959 -33.2668 -33.2668 -17.3189 -17.3189 -17.2974 -17.2974 -16.7462 -16.7462 -16.6277 -16.6277 -16.5887 -16.5887 -16.4945 -16.4945 11.6655 11.6655 11.8125 11.8125 12.3171 12.3171 12.4921 12.4921 12.6272 12.6272 14.5673 14.5673 14.9256 14.9256 15.4540 15.4540 15.6824 15.6824 15.7985 15.7985 16.9677 16.9677 17.6786 17.6786 18.2089 18.2089 k =-0.1580 0.3635 0.9764 ( 3915 PWs) bands (ev): -68.9334 -68.9334 -40.5538 -40.5538 -40.5494 -40.5494 -37.7519 -37.7519 -33.2956 -33.2956 -33.2660 -33.2660 -17.3182 -17.3182 -17.2965 -17.2965 -16.7442 -16.7442 -16.6288 -16.6288 -16.5839 -16.5839 -16.4923 -16.4923 11.6821 11.6821 11.8130 11.8130 12.2916 12.2916 12.4659 12.4659 12.6416 12.6416 14.5179 14.5179 14.9460 14.9460 15.4673 15.4673 15.7079 15.7079 15.8158 15.8158 16.9550 16.9550 17.6408 17.6408 18.1631 18.1631 k =-0.1628 0.3746 0.9643 ( 3907 PWs) bands (ev): -68.9335 -68.9335 -40.5546 -40.5546 -40.5499 -40.5499 -37.7515 -37.7515 -33.2952 -33.2952 -33.2652 -33.2652 -17.3176 -17.3176 -17.2957 -17.2957 -16.7421 -16.7421 -16.6301 -16.6301 -16.5790 -16.5790 -16.4903 -16.4903 11.6902 11.6902 11.8197 11.8197 12.2464 12.2464 12.4626 12.4626 12.6574 12.6574 14.4670 14.4670 14.9661 14.9661 15.4804 15.4804 15.7362 15.7362 15.8353 15.8353 16.9437 16.9437 17.6030 17.6030 18.1188 18.1188 k =-0.1676 0.3857 0.9522 ( 3911 PWs) bands (ev): -68.9336 -68.9336 -40.5553 -40.5553 -40.5504 -40.5504 -37.7511 -37.7511 -33.2949 -33.2949 -33.2644 -33.2644 -17.3169 -17.3169 -17.2949 -17.2949 -16.7398 -16.7398 -16.6315 -16.6315 -16.5740 -16.5740 -16.4883 -16.4883 11.6900 11.6900 11.8308 11.8308 12.1947 12.1947 12.4712 12.4712 12.6738 12.6738 14.4152 14.4152 14.9855 14.9855 15.4933 15.4933 15.7674 15.7674 15.8562 15.8562 16.9340 16.9340 17.5655 17.5655 18.0762 18.0762 k =-0.1725 0.3968 0.9402 ( 3915 PWs) bands (ev): -68.9337 -68.9337 -40.5560 -40.5560 -40.5509 -40.5509 -37.7507 -37.7507 -33.2946 -33.2946 -33.2635 -33.2635 -17.3163 -17.3163 -17.2942 -17.2942 -16.7374 -16.7374 -16.6329 -16.6329 -16.5690 -16.5690 -16.4864 -16.4864 11.6836 11.6836 11.8412 11.8412 12.1467 12.1467 12.4846 12.4846 12.6906 12.6906 14.3629 14.3629 15.0042 15.0042 15.5061 15.5061 15.8014 15.8014 15.8780 15.8780 16.9262 16.9262 17.5282 17.5282 18.0353 18.0353 k =-0.1773 0.4079 0.9281 ( 3911 PWs) bands (ev): -68.9338 -68.9338 -40.5567 -40.5567 -40.5514 -40.5514 -37.7502 -37.7502 -33.2944 -33.2944 -33.2626 -33.2626 -17.3158 -17.3158 -17.2936 -17.2936 -16.7348 -16.7348 -16.6344 -16.6344 -16.5640 -16.5640 -16.4847 -16.4847 11.6735 11.6735 11.8437 11.8437 12.1107 12.1107 12.4998 12.4998 12.7077 12.7077 14.3103 14.3103 15.0223 15.0223 15.5191 15.5191 15.8381 15.8381 15.8999 15.8999 16.9205 16.9205 17.4914 17.4914 17.9962 17.9962 k =-0.1821 0.4190 0.9160 ( 3908 PWs) bands (ev): -68.9339 -68.9339 -40.5574 -40.5574 -40.5518 -40.5518 -37.7498 -37.7498 -33.2941 -33.2941 -33.2618 -33.2618 -17.3152 -17.3152 -17.2930 -17.2930 -16.7322 -16.7322 -16.6359 -16.6359 -16.5590 -16.5590 -16.4830 -16.4830 11.6611 11.6611 11.8313 11.8313 12.0930 12.0930 12.5155 12.5155 12.7250 12.7250 14.2580 14.2580 15.0396 15.0396 15.5322 15.5322 15.8773 15.8773 15.9215 15.9215 16.9171 16.9171 17.4551 17.4551 17.9590 17.9590 k =-0.1869 0.4300 0.9039 ( 3908 PWs) bands (ev): -68.9340 -68.9340 -40.5581 -40.5581 -40.5523 -40.5523 -37.7494 -37.7494 -33.2939 -33.2939 -33.2609 -33.2609 -17.3147 -17.3147 -17.2925 -17.2925 -16.7295 -16.7295 -16.6375 -16.6375 -16.5541 -16.5541 -16.4815 -16.4815 11.6474 11.6474 11.8030 11.8030 12.0948 12.0948 12.5309 12.5309 12.7423 12.7423 14.2061 14.2061 15.0562 15.0562 15.5455 15.5455 15.9186 15.9186 15.9425 15.9425 16.9165 16.9165 17.4195 17.4195 17.9236 17.9236 k =-0.1917 0.4411 0.8918 ( 3908 PWs) bands (ev): -68.9341 -68.9341 -40.5587 -40.5587 -40.5528 -40.5528 -37.7491 -37.7491 -33.2938 -33.2938 -33.2600 -33.2600 -17.3143 -17.3143 -17.2920 -17.2920 -16.7267 -16.7267 -16.6391 -16.6391 -16.5493 -16.5493 -16.4801 -16.4801 11.6328 11.6328 11.7640 11.7640 12.1106 12.1106 12.5457 12.5457 12.7597 12.7597 14.1551 14.1551 15.0721 15.0721 15.5589 15.5589 15.9573 15.9573 15.9670 15.9670 16.9187 16.9187 17.3847 17.3847 17.8902 17.8902 k =-0.1965 0.4522 0.8797 ( 3912 PWs) bands (ev): -68.9342 -68.9342 -40.5593 -40.5593 -40.5532 -40.5532 -37.7487 -37.7487 -33.2936 -33.2936 -33.2592 -33.2592 -17.3139 -17.3139 -17.2917 -17.2917 -16.7238 -16.7238 -16.6408 -16.6408 -16.5445 -16.5445 -16.4788 -16.4788 11.6177 11.6177 11.7200 11.7200 12.1349 12.1349 12.5597 12.5597 12.7769 12.7769 14.1051 14.1051 15.0872 15.0872 15.5725 15.5725 15.9774 15.9774 16.0105 16.0105 16.9239 16.9239 17.3508 17.3508 17.8586 17.8586 k =-0.2014 0.4633 0.8677 ( 3916 PWs) bands (ev): -68.9343 -68.9343 -40.5599 -40.5599 -40.5536 -40.5536 -37.7484 -37.7484 -33.2935 -33.2935 -33.2584 -33.2584 -17.3135 -17.3135 -17.2913 -17.2913 -16.7208 -16.7208 -16.6426 -16.6426 -16.5399 -16.5399 -16.4777 -16.4777 11.6018 11.6018 11.6752 11.6752 12.1636 12.1636 12.5726 12.5726 12.7939 12.7939 14.0564 14.0564 15.1016 15.1016 15.5861 15.5861 15.9930 15.9930 16.0582 16.0582 16.9322 16.9322 17.3180 17.3180 17.8291 17.8291 k =-0.2062 0.4744 0.8556 ( 3916 PWs) bands (ev): -68.9344 -68.9344 -40.5605 -40.5605 -40.5540 -40.5540 -37.7480 -37.7480 -33.2934 -33.2934 -33.2576 -33.2576 -17.3131 -17.3131 -17.2910 -17.2910 -16.7179 -16.7179 -16.6444 -16.6444 -16.5354 -16.5354 -16.4767 -16.4767 11.5843 11.5843 11.6325 11.6325 12.1949 12.1949 12.5844 12.5844 12.8105 12.8105 14.0093 14.0093 15.1153 15.1153 15.5996 15.5996 16.0062 16.0062 16.1078 16.1078 16.9437 16.9437 17.2863 17.2863 17.8014 17.8014 k =-0.2110 0.4854 0.8435 ( 3918 PWs) bands (ev): -68.9344 -68.9344 -40.5610 -40.5610 -40.5544 -40.5544 -37.7477 -37.7477 -33.2933 -33.2933 -33.2569 -33.2569 -17.3128 -17.3128 -17.2908 -17.2908 -16.7148 -16.7148 -16.6462 -16.6462 -16.5310 -16.5310 -16.4758 -16.4758 11.5615 11.5615 11.5971 11.5971 12.2274 12.2274 12.5950 12.5950 12.8266 12.8266 13.9640 13.9640 15.1282 15.1282 15.6130 15.6130 16.0170 16.0170 16.1587 16.1587 16.9581 16.9581 17.2560 17.2560 17.7757 17.7757 k =-0.2158 0.4965 0.8314 ( 3922 PWs) bands (ev): -68.9345 -68.9345 -40.5615 -40.5615 -40.5548 -40.5548 -37.7474 -37.7474 -33.2933 -33.2933 -33.2561 -33.2561 -17.3125 -17.3125 -17.2906 -17.2906 -16.7118 -16.7118 -16.6481 -16.6481 -16.5268 -16.5268 -16.4751 -16.4751 11.5294 11.5294 11.5737 11.5737 12.2604 12.2604 12.6043 12.6043 12.8420 12.8420 13.9207 13.9207 15.1404 15.1404 15.6262 15.6262 16.0255 16.0255 16.2107 16.2107 16.9752 16.9752 17.2271 17.2271 17.7520 17.7520 k =-0.2206 0.5076 0.8193 ( 3922 PWs) bands (ev): -68.9346 -68.9346 -40.5619 -40.5619 -40.5551 -40.5551 -37.7472 -37.7472 -33.2932 -33.2932 -33.2554 -33.2554 -17.3122 -17.3122 -17.2904 -17.2904 -16.7087 -16.7087 -16.6500 -16.6500 -16.5228 -16.5228 -16.4745 -16.4745 11.4934 11.4934 11.5574 11.5574 12.2934 12.2934 12.6123 12.6123 12.8567 12.8567 13.8797 13.8797 15.1518 15.1518 15.6390 15.6390 16.0318 16.0318 16.2634 16.2634 16.9946 16.9946 17.1998 17.1998 17.7301 17.7301 k =-0.2254 0.5187 0.8072 ( 3916 PWs) bands (ev): -68.9346 -68.9346 -40.5624 -40.5624 -40.5554 -40.5554 -37.7469 -37.7469 -33.2932 -33.2932 -33.2548 -33.2548 -17.3119 -17.3119 -17.2903 -17.2903 -16.7057 -16.7057 -16.6520 -16.6520 -16.5189 -16.5189 -16.4741 -16.4741 11.4584 11.4584 11.5439 11.5439 12.3260 12.3260 12.6188 12.6188 12.8705 12.8705 13.8411 13.8411 15.1623 15.1623 15.6513 15.6513 16.0363 16.0363 16.3164 16.3164 17.0157 17.0157 17.1743 17.1743 17.7101 17.7101 k =-0.2303 0.5298 0.7952 ( 3921 PWs) bands (ev): -68.9347 -68.9347 -40.5628 -40.5628 -40.5557 -40.5557 -37.7467 -37.7467 -33.2931 -33.2931 -33.2542 -33.2542 -17.3117 -17.3117 -17.2902 -17.2902 -16.7026 -16.7026 -16.6541 -16.6541 -16.5153 -16.5153 -16.4739 -16.4739 11.4258 11.4258 11.5319 11.5319 12.3578 12.3578 12.6238 12.6238 12.8832 12.8832 13.8052 13.8052 15.1720 15.1720 15.6630 15.6630 16.0391 16.0391 16.3692 16.3692 17.0380 17.0380 17.1507 17.1507 17.6918 17.6918 k =-0.2351 0.5409 0.7831 ( 3919 PWs) bands (ev): -68.9347 -68.9347 -40.5631 -40.5631 -40.5560 -40.5560 -37.7464 -37.7464 -33.2931 -33.2931 -33.2536 -33.2536 -17.3115 -17.3115 -17.2901 -17.2901 -16.6996 -16.6996 -16.6562 -16.6562 -16.5119 -16.5119 -16.4738 -16.4738 11.3961 11.3961 11.5211 11.5211 12.3885 12.3885 12.6273 12.6273 12.8948 12.8948 13.7722 13.7722 15.1809 15.1809 15.6740 15.6740 16.0405 16.0405 16.4213 16.4213 17.0606 17.0606 17.1294 17.1294 17.6753 17.6753 k =-0.2399 0.5519 0.7710 ( 3919 PWs) bands (ev): -68.9348 -68.9348 -40.5634 -40.5634 -40.5562 -40.5562 -37.7463 -37.7463 -33.2931 -33.2931 -33.2531 -33.2531 -17.3114 -17.3114 -17.2900 -17.2900 -16.6966 -16.6966 -16.6583 -16.6583 -16.5087 -16.5087 -16.4738 -16.4738 11.3696 11.3696 11.5115 11.5115 12.4180 12.4180 12.6291 12.6291 12.9052 12.9052 13.7424 13.7424 15.1888 15.1888 15.6840 15.6840 16.0409 16.0409 16.4718 16.4718 17.0820 17.0820 17.1113 17.1113 17.6604 17.6604 k =-0.2447 0.5630 0.7589 ( 3913 PWs) bands (ev): -68.9348 -68.9348 -40.5637 -40.5637 -40.5564 -40.5564 -37.7461 -37.7461 -33.2930 -33.2930 -33.2527 -33.2527 -17.3112 -17.3112 -17.2900 -17.2900 -16.6936 -16.6936 -16.6605 -16.6605 -16.5058 -16.5058 -16.4739 -16.4739 11.3464 11.3464 11.5031 11.5031 12.4459 12.4459 12.6292 12.6292 12.9142 12.9142 13.7160 13.7160 15.1957 15.1957 15.6931 15.6931 16.0406 16.0406 16.5199 16.5199 17.0881 17.0881 17.1098 17.1098 17.6470 17.6470 k =-0.2495 0.5741 0.7468 ( 3911 PWs) bands (ev): -68.9349 -68.9349 -40.5639 -40.5639 -40.5566 -40.5566 -37.7459 -37.7459 -33.2930 -33.2930 -33.2523 -33.2523 -17.3111 -17.3111 -17.2899 -17.2899 -16.6907 -16.6907 -16.6628 -16.6628 -16.5032 -16.5032 -16.4742 -16.4742 11.3267 11.3267 11.4960 11.4960 12.4719 12.4719 12.6275 12.6275 12.9220 12.9220 13.6931 13.6931 15.2017 15.2017 15.7010 15.7010 16.0399 16.0399 16.5646 16.5646 17.0755 17.0755 17.1277 17.1277 17.6347 17.6347 k =-0.2543 0.5852 0.7347 ( 3909 PWs) bands (ev): -68.9349 -68.9349 -40.5641 -40.5641 -40.5567 -40.5567 -37.7458 -37.7458 -33.2930 -33.2930 -33.2520 -33.2520 -17.3110 -17.3110 -17.2899 -17.2899 -16.6879 -16.6879 -16.6651 -16.6651 -16.5010 -16.5010 -16.4745 -16.4745 11.3105 11.3105 11.4900 11.4900 12.4957 12.4957 12.6241 12.6241 12.9283 12.9283 13.6741 13.6741 15.2066 15.2066 15.7076 15.7076 16.0389 16.0389 16.6045 16.6045 17.0637 17.0637 17.1450 17.1450 17.6236 17.6236 k =-0.2592 0.5963 0.7227 ( 3921 PWs) bands (ev): -68.9349 -68.9349 -40.5643 -40.5643 -40.5569 -40.5569 -37.7457 -37.7457 -33.2930 -33.2930 -33.2518 -33.2518 -17.3110 -17.3110 -17.2899 -17.2899 -16.6852 -16.6852 -16.6673 -16.6673 -16.4991 -16.4991 -16.4748 -16.4748 11.2978 11.2978 11.4854 11.4854 12.5170 12.5170 12.6191 12.6191 12.9332 12.9332 13.6591 13.6591 15.2104 15.2104 15.7128 15.7128 16.0380 16.0380 16.6381 16.6381 17.0542 17.0542 17.1594 17.1594 17.6134 17.6134 k =-0.2640 0.6073 0.7106 ( 3921 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5569 -40.5569 -37.7457 -37.7457 -33.2930 -33.2930 -33.2516 -33.2516 -17.3109 -17.3109 -17.2899 -17.2899 -16.6828 -16.6828 -16.6695 -16.6695 -16.4977 -16.4977 -16.4751 -16.4751 11.2888 11.2888 11.4821 11.4821 12.5349 12.5349 12.6130 12.6130 12.9367 12.9367 13.6482 13.6482 15.2132 15.2132 15.7167 15.7167 16.0372 16.0372 16.6638 16.6638 17.0474 17.0474 17.1702 17.1702 17.6047 17.6047 k =-0.2688 0.6184 0.6985 ( 3922 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5570 -40.5570 -37.7456 -37.7456 -33.2930 -33.2930 -33.2515 -33.2515 -17.3109 -17.3109 -17.2899 -17.2899 -16.6808 -16.6808 -16.6713 -16.6713 -16.4969 -16.4969 -16.4753 -16.4753 11.2833 11.2833 11.4800 11.4800 12.5480 12.5480 12.6071 12.6071 12.9388 12.9388 13.6416 13.6416 15.2149 15.2149 15.7190 15.7190 16.0366 16.0366 16.6799 16.6799 17.0432 17.0432 17.1769 17.1769 17.5984 17.5984 k =-0.2736 0.6295 0.6864 ( 3918 PWs) bands (ev): -68.9350 -68.9350 -40.5645 -40.5645 -40.5570 -40.5570 -37.7456 -37.7456 -33.2930 -33.2930 -33.2515 -33.2515 -17.3109 -17.3109 -17.2899 -17.2899 -16.6799 -16.6799 -16.6722 -16.6722 -16.4966 -16.4966 -16.4754 -16.4754 11.2815 11.2815 11.4794 11.4794 12.5531 12.5531 12.6044 12.6044 12.9395 12.9395 13.6394 13.6394 15.2154 15.2154 15.7197 15.7197 16.0364 16.0364 16.6855 16.6855 17.0418 17.0418 17.1792 17.1792 17.5961 17.5961 k =-0.2736 0.6295 0.6864 ( 3918 PWs) bands (ev): -68.9350 -68.9350 -40.5645 -40.5645 -40.5570 -40.5570 -37.7456 -37.7456 -33.2930 -33.2930 -33.2515 -33.2515 -17.3109 -17.3109 -17.2899 -17.2899 -16.6799 -16.6799 -16.6722 -16.6722 -16.4966 -16.4966 -16.4754 -16.4754 11.2815 11.2815 11.4794 11.4794 12.5531 12.5531 12.6044 12.6044 12.9395 12.9395 13.6394 13.6394 15.2154 15.2154 15.7197 15.7197 16.0364 16.0364 16.6855 16.6855 17.0418 17.0418 17.1792 17.1792 17.5961 17.5961 k =-0.2687 0.6183 0.6741 ( 3906 PWs) bands (ev): -68.9349 -68.9349 -40.5627 -40.5627 -40.5585 -40.5585 -37.7457 -37.7457 -33.2933 -33.2933 -33.2514 -33.2514 -17.3097 -17.3097 -17.2926 -17.2926 -16.6806 -16.6806 -16.6721 -16.6721 -16.4961 -16.4961 -16.4762 -16.4762 11.2870 11.2870 11.4844 11.4844 12.5497 12.5497 12.6033 12.6033 12.9399 12.9399 13.6726 13.6726 15.2545 15.2545 15.6556 15.6556 16.0812 16.0812 16.6557 16.6557 17.0208 17.0208 17.2069 17.2069 17.5694 17.5694 k =-0.2638 0.6070 0.6619 ( 3908 PWs) bands (ev): -68.9349 -68.9349 -40.5609 -40.5609 -40.5600 -40.5600 -37.7458 -37.7458 -33.2936 -33.2936 -33.2514 -33.2514 -17.3090 -17.3090 -17.2945 -17.2945 -16.6820 -16.6820 -16.6714 -16.6714 -16.4958 -16.4958 -16.4765 -16.4765 11.2916 11.2916 11.4908 11.4908 12.5473 12.5473 12.5989 12.5989 12.9403 12.9403 13.6966 13.6966 15.2889 15.2889 15.5965 15.5965 16.1278 16.1278 16.6246 16.6246 17.0012 17.0012 17.2386 17.2386 17.5429 17.5429 k =-0.2590 0.5958 0.6496 ( 3912 PWs) bands (ev): -68.9349 -68.9349 -40.5615 -40.5615 -40.5592 -40.5592 -37.7459 -37.7459 -33.2938 -33.2938 -33.2514 -33.2514 -17.3091 -17.3091 -17.2952 -17.2952 -16.6837 -16.6837 -16.6702 -16.6702 -16.4960 -16.4960 -16.4765 -16.4765 11.2954 11.2954 11.4983 11.4983 12.5459 12.5459 12.5911 12.5911 12.9406 12.9406 13.7108 13.7108 15.3184 15.3184 15.5439 15.5439 16.1756 16.1756 16.5917 16.5917 16.9832 16.9832 17.2740 17.2740 17.5167 17.5167 k =-0.2541 0.5845 0.6374 ( 3908 PWs) bands (ev): -68.9349 -68.9349 -40.5631 -40.5631 -40.5575 -40.5575 -37.7459 -37.7459 -33.2939 -33.2939 -33.2514 -33.2514 -17.3101 -17.3101 -17.2947 -17.2947 -16.6855 -16.6855 -16.6688 -16.6688 -16.4964 -16.4964 -16.4760 -16.4760 11.2984 11.2984 11.5072 11.5072 12.5448 12.5448 12.5803 12.5803 12.9409 12.9409 13.7149 13.7149 15.3424 15.3424 15.4995 15.4995 16.2244 16.2244 16.5568 16.5568 16.9669 16.9669 17.3132 17.3132 17.4909 17.4909 k =-0.2492 0.5733 0.6251 ( 3912 PWs) bands (ev): -68.9349 -68.9349 -40.5647 -40.5647 -40.5559 -40.5559 -37.7459 -37.7459 -33.2939 -33.2939 -33.2514 -33.2514 -17.3118 -17.3118 -17.2931 -17.2931 -16.6873 -16.6873 -16.6671 -16.6671 -16.4972 -16.4972 -16.4751 -16.4751 11.3003 11.3003 11.5173 11.5173 12.5415 12.5415 12.5687 12.5687 12.9413 12.9413 13.7087 13.7087 15.3596 15.3596 15.4659 15.4659 16.2735 16.2735 16.5197 16.5197 16.9523 16.9523 17.3557 17.3557 17.4657 17.4657 k =-0.2443 0.5621 0.6129 ( 3912 PWs) bands (ev): -68.9349 -68.9349 -40.5664 -40.5664 -40.5543 -40.5543 -37.7459 -37.7459 -33.2939 -33.2939 -33.2514 -33.2514 -17.3139 -17.3139 -17.2907 -17.2907 -16.6892 -16.6892 -16.6654 -16.6654 -16.4982 -16.4982 -16.4739 -16.4739 11.3012 11.3012 11.5287 11.5287 12.5292 12.5292 12.5629 12.5629 12.9420 12.9420 13.6926 13.6926 15.3670 15.3670 15.4468 15.4468 16.3225 16.3225 16.4802 16.4802 16.9395 16.9395 17.4009 17.4009 17.4412 17.4412 k =-0.2394 0.5508 0.6006 ( 3908 PWs) bands (ev): -68.9349 -68.9349 -40.5680 -40.5680 -40.5527 -40.5527 -37.7459 -37.7459 -33.2937 -33.2937 -33.2514 -33.2514 -17.3160 -17.3160 -17.2879 -17.2879 -16.6910 -16.6910 -16.6635 -16.6635 -16.4993 -16.4993 -16.4725 -16.4725 11.3010 11.3010 11.5414 11.5414 12.5065 12.5065 12.5641 12.5641 12.9429 12.9429 13.6673 13.6673 15.3639 15.3639 15.4431 15.4431 16.3709 16.3709 16.4387 16.4387 16.9284 16.9284 17.4164 17.4164 17.4494 17.4494 k =-0.2345 0.5396 0.5883 ( 3900 PWs) bands (ev): -68.9349 -68.9349 -40.5697 -40.5697 -40.5512 -40.5512 -37.7458 -37.7458 -33.2935 -33.2935 -33.2514 -33.2514 -17.3181 -17.3181 -17.2847 -17.2847 -16.6928 -16.6928 -16.6616 -16.6616 -16.5004 -16.5004 -16.4710 -16.4710 11.2996 11.2996 11.5553 11.5553 12.4770 12.4770 12.5687 12.5687 12.9442 12.9442 13.6336 13.6336 15.3573 15.3573 15.4480 15.4480 16.3918 16.3918 16.4216 16.4216 16.9192 16.9192 17.3935 17.3935 17.4970 17.4970 k =-0.2296 0.5283 0.5761 ( 3904 PWs) bands (ev): -68.9349 -68.9349 -40.5715 -40.5715 -40.5497 -40.5497 -37.7457 -37.7457 -33.2932 -33.2932 -33.2515 -33.2515 -17.3201 -17.3201 -17.2813 -17.2813 -16.6945 -16.6945 -16.6596 -16.6596 -16.5016 -16.5016 -16.4693 -16.4693 11.2968 11.2968 11.5706 11.5706 12.4421 12.4421 12.5752 12.5752 12.9459 12.9459 13.5927 13.5927 15.3532 15.3532 15.4552 15.4552 16.3464 16.3464 16.4675 16.4675 16.9118 16.9118 17.3712 17.3712 17.5401 17.5401 k =-0.2248 0.5171 0.5638 ( 3900 PWs) bands (ev): -68.9350 -68.9350 -40.5732 -40.5732 -40.5483 -40.5483 -37.7456 -37.7456 -33.2929 -33.2929 -33.2515 -33.2515 -17.3221 -17.3221 -17.2776 -17.2776 -16.6962 -16.6962 -16.6575 -16.6575 -16.5028 -16.5028 -16.4675 -16.4675 11.2924 11.2924 11.5871 11.5871 12.4024 12.4024 12.5833 12.5833 12.9479 12.9479 13.5460 13.5460 15.3539 15.3539 15.4620 15.4620 16.2976 16.2976 16.5137 16.5137 16.9063 16.9063 17.3498 17.3498 17.5600 17.5600 k =-0.2199 0.5059 0.5516 ( 3904 PWs) bands (ev): -68.9350 -68.9350 -40.5750 -40.5750 -40.5469 -40.5469 -37.7454 -37.7454 -33.2924 -33.2924 -33.2515 -33.2515 -17.3239 -17.3239 -17.2736 -17.2736 -16.6978 -16.6978 -16.6555 -16.6555 -16.5038 -16.5038 -16.4657 -16.4657 11.2862 11.2862 11.6049 11.6049 12.3582 12.3582 12.5927 12.5927 12.9503 12.9503 13.4947 13.4947 15.3596 15.3596 15.4676 15.4676 16.2466 16.2466 16.5589 16.5589 16.9027 16.9027 17.3295 17.3295 17.5546 17.5546 k =-0.2150 0.4946 0.5393 ( 3904 PWs) bands (ev): -68.9350 -68.9350 -40.5768 -40.5768 -40.5456 -40.5456 -37.7453 -37.7453 -33.2920 -33.2920 -33.2516 -33.2516 -17.3256 -17.3256 -17.2694 -17.2694 -16.6993 -16.6993 -16.6534 -16.6534 -16.5048 -16.5048 -16.4638 -16.4638 11.2780 11.2780 11.6239 11.6239 12.3101 12.3101 12.6034 12.6034 12.9529 12.9529 13.4402 13.4402 15.3702 15.3702 15.4717 15.4717 16.1937 16.1937 16.6033 16.6033 16.9009 16.9009 17.3102 17.3102 17.5412 17.5412 k =-0.2101 0.4834 0.5271 ( 3900 PWs) bands (ev): -68.9351 -68.9351 -40.5786 -40.5786 -40.5443 -40.5443 -37.7451 -37.7451 -33.2914 -33.2914 -33.2516 -33.2516 -17.3271 -17.3271 -17.2651 -17.2651 -16.7007 -16.7007 -16.6513 -16.6513 -16.5057 -16.5057 -16.4620 -16.4620 11.2675 11.2675 11.6440 11.6440 12.2587 12.2587 12.6152 12.6152 12.9555 12.9555 13.3835 13.3835 15.3850 15.3850 15.4741 15.4741 16.1391 16.1391 16.6468 16.6468 16.9009 16.9009 17.2921 17.2921 17.5247 17.5247 k =-0.2052 0.4721 0.5148 ( 3904 PWs) bands (ev): -68.9351 -68.9351 -40.5805 -40.5805 -40.5431 -40.5431 -37.7449 -37.7449 -33.2907 -33.2907 -33.2517 -33.2517 -17.3286 -17.3286 -17.2605 -17.2605 -16.7021 -16.7021 -16.6492 -16.6492 -16.5064 -16.5064 -16.4601 -16.4601 11.2543 11.2543 11.6654 11.6654 12.2047 12.2047 12.6282 12.6282 12.9578 12.9578 13.3259 13.3259 15.4036 15.4036 15.4749 15.4749 16.0831 16.0831 16.6897 16.6897 16.9029 16.9029 17.2753 17.2753 17.5066 17.5066 k =-0.2003 0.4609 0.5025 ( 3902 PWs) bands (ev): -68.9352 -68.9352 -40.5823 -40.5823 -40.5419 -40.5419 -37.7446 -37.7446 -33.2900 -33.2900 -33.2517 -33.2517 -17.3299 -17.3299 -17.2558 -17.2558 -16.7033 -16.7033 -16.6471 -16.6471 -16.5069 -16.5069 -16.4583 -16.4583 11.2379 11.2379 11.6878 11.6878 12.1490 12.1490 12.6421 12.6421 12.9594 12.9594 13.2684 13.2684 15.4251 15.4251 15.4743 15.4743 16.0261 16.0261 16.7319 16.7319 16.9067 16.9067 17.2598 17.2598 17.4871 17.4871 k =-0.1954 0.4497 0.4903 ( 3906 PWs) bands (ev): -68.9353 -68.9353 -40.5842 -40.5842 -40.5408 -40.5408 -37.7444 -37.7444 -33.2893 -33.2893 -33.2518 -33.2518 -17.3311 -17.3311 -17.2509 -17.2509 -16.7046 -16.7046 -16.6451 -16.6451 -16.5072 -16.5072 -16.4564 -16.4564 11.2179 11.2179 11.7111 11.7111 12.0928 12.0928 12.6570 12.6570 12.9593 12.9593 13.2126 13.2126 15.4473 15.4473 15.4738 15.4738 15.9684 15.9684 16.7737 16.7737 16.9123 16.9123 17.2456 17.2456 17.4668 17.4668 k =-0.1906 0.4384 0.4780 ( 3918 PWs) bands (ev): -68.9354 -68.9354 -40.5860 -40.5860 -40.5397 -40.5397 -37.7442 -37.7442 -33.2885 -33.2885 -33.2519 -33.2519 -17.3322 -17.3322 -17.2459 -17.2459 -16.7057 -16.7057 -16.6431 -16.6431 -16.5072 -16.5072 -16.4546 -16.4546 11.1937 11.1937 11.7352 11.7352 12.0371 12.0371 12.6727 12.6727 12.9557 12.9557 13.1608 13.1608 15.4571 15.4571 15.4859 15.4859 15.9105 15.9105 16.8150 16.8150 16.9199 16.9199 17.2329 17.2329 17.4459 17.4459 k =-0.1857 0.4272 0.4658 ( 3906 PWs) bands (ev): -68.9354 -68.9354 -40.5879 -40.5879 -40.5387 -40.5387 -37.7438 -37.7438 -33.2876 -33.2876 -33.2520 -33.2520 -17.3332 -17.3332 -17.2408 -17.2408 -16.7068 -16.7068 -16.6412 -16.6412 -16.5071 -16.5071 -16.4528 -16.4528 11.1647 11.1647 11.7595 11.7595 11.9835 11.9835 12.6889 12.6889 12.9454 12.9454 13.1165 13.1165 15.4510 15.4510 15.5134 15.5134 15.8532 15.8532 16.8559 16.8559 16.9295 16.9295 17.2216 17.2216 17.4248 17.4248 k =-0.1808 0.4159 0.4535 ( 3906 PWs) bands (ev): -68.9355 -68.9355 -40.5898 -40.5898 -40.5377 -40.5377 -37.7435 -37.7435 -33.2866 -33.2866 -33.2520 -33.2520 -17.3341 -17.3341 -17.2355 -17.2355 -16.7078 -16.7078 -16.6393 -16.6393 -16.5067 -16.5067 -16.4511 -16.4511 11.1305 11.1305 11.7831 11.7831 11.9341 11.9341 12.7052 12.7052 12.9242 12.9242 13.0846 13.0846 15.4391 15.4391 15.5452 15.5452 15.7972 15.7972 16.8960 16.8960 16.9415 16.9415 17.2119 17.2119 17.4037 17.4037 k =-0.1759 0.4047 0.4413 ( 3908 PWs) bands (ev): -68.9356 -68.9356 -40.5917 -40.5917 -40.5368 -40.5368 -37.7432 -37.7432 -33.2857 -33.2857 -33.2521 -33.2521 -17.3349 -17.3349 -17.2301 -17.2301 -16.7087 -16.7087 -16.6375 -16.6375 -16.5060 -16.5060 -16.4494 -16.4494 11.0906 11.0906 11.8017 11.8017 11.8939 11.8939 12.7207 12.7207 12.8911 12.8911 13.0670 13.0670 15.4221 15.4221 15.5795 15.5795 15.7436 15.7436 16.9333 16.9333 16.9581 16.9581 17.2037 17.2037 17.3831 17.3831 k =-0.1710 0.3934 0.4290 ( 3904 PWs) bands (ev): -68.9357 -68.9357 -40.5935 -40.5935 -40.5359 -40.5359 -37.7429 -37.7429 -33.2846 -33.2846 -33.2522 -33.2522 -17.3356 -17.3356 -17.2246 -17.2246 -16.7096 -16.7096 -16.6358 -16.6358 -16.5051 -16.5051 -16.4477 -16.4477 11.0449 11.0449 11.8001 11.8001 11.8786 11.8786 12.7325 12.7325 12.8525 12.8525 13.0602 13.0602 15.3990 15.3990 15.6157 15.6157 15.6939 15.6939 16.9598 16.9598 16.9871 16.9871 17.1972 17.1972 17.3631 17.3631 k =-0.1661 0.3822 0.4167 ( 3908 PWs) bands (ev): -68.9358 -68.9358 -40.5954 -40.5954 -40.5351 -40.5351 -37.7425 -37.7425 -33.2836 -33.2836 -33.2522 -33.2522 -17.3363 -17.3363 -17.2191 -17.2191 -16.7104 -16.7104 -16.6342 -16.6342 -16.5039 -16.5039 -16.4462 -16.4462 10.9934 10.9934 11.7737 11.7737 11.8931 11.8931 12.7314 12.7314 12.8223 12.8223 13.0598 13.0598 15.3689 15.3689 15.6471 15.6471 15.6560 15.6560 16.9786 16.9786 17.0253 17.0253 17.1924 17.1924 17.3442 17.3442 k =-0.1612 0.3710 0.4045 ( 3912 PWs) bands (ev): -68.9359 -68.9359 -40.5973 -40.5973 -40.5343 -40.5343 -37.7422 -37.7422 -33.2825 -33.2825 -33.2523 -33.2523 -17.3369 -17.3369 -17.2135 -17.2135 -16.7112 -16.7112 -16.6326 -16.6326 -16.5024 -16.5024 -16.4446 -16.4446 10.9366 10.9366 11.7417 11.7417 11.9182 11.9182 12.7039 12.7039 12.8168 12.8168 13.0629 13.0629 15.3310 15.3310 15.6100 15.6100 15.6942 15.6942 16.9972 16.9972 17.0652 17.0652 17.1894 17.1894 17.3267 17.3267 k =-0.1564 0.3597 0.3922 ( 3904 PWs) bands (ev): -68.9360 -68.9360 -40.5991 -40.5991 -40.5335 -40.5335 -37.7418 -37.7418 -33.2814 -33.2814 -33.2524 -33.2524 -17.3374 -17.3374 -17.2079 -17.2079 -16.7120 -16.7120 -16.6311 -16.6311 -16.5007 -16.5007 -16.4431 -16.4431 10.8750 10.8750 11.7113 11.7113 11.9463 11.9463 12.6593 12.6593 12.8282 12.8282 13.0683 13.0683 15.2857 15.2857 15.5768 15.5768 15.7357 15.7357 17.0169 17.0169 17.1052 17.1052 17.1886 17.1886 17.3108 17.3108 k =-0.1515 0.3485 0.3800 ( 3901 PWs) bands (ev): -68.9361 -68.9361 -40.6009 -40.6009 -40.5328 -40.5328 -37.7414 -37.7414 -33.2802 -33.2802 -33.2524 -33.2524 -17.3379 -17.3379 -17.2022 -17.2022 -16.7127 -16.7127 -16.6296 -16.6296 -16.4987 -16.4987 -16.4417 -16.4417 10.8094 10.8094 11.6838 11.6838 11.9753 11.9753 12.6097 12.6097 12.8452 12.8452 13.0752 13.0752 15.2341 15.2341 15.5481 15.5481 15.7788 15.7788 17.0380 17.0380 17.1435 17.1435 17.1911 17.1911 17.2967 17.2967 k =-0.1466 0.3372 0.3677 ( 3905 PWs) bands (ev): -68.9362 -68.9362 -40.6028 -40.6028 -40.5322 -40.5322 -37.7410 -37.7410 -33.2790 -33.2790 -33.2525 -33.2525 -17.3383 -17.3383 -17.1966 -17.1966 -16.7134 -16.7134 -16.6282 -16.6282 -16.4965 -16.4965 -16.4403 -16.4403 10.7405 10.7405 11.6592 11.6592 12.0041 12.0041 12.5597 12.5597 12.8642 12.8642 13.0833 13.0833 15.1778 15.1778 15.5227 15.5227 15.8235 15.8235 17.0605 17.0605 17.1728 17.1728 17.2043 17.2043 17.2848 17.2848 k =-0.1417 0.3260 0.3555 ( 3911 PWs) bands (ev): -68.9363 -68.9363 -40.6045 -40.6045 -40.5315 -40.5315 -37.7406 -37.7406 -33.2779 -33.2779 -33.2525 -33.2525 -17.3387 -17.3387 -17.1909 -17.1909 -16.7141 -16.7141 -16.6269 -16.6269 -16.4940 -16.4940 -16.4390 -16.4390 10.6694 10.6694 11.6374 11.6374 12.0319 12.0319 12.5115 12.5115 12.8838 12.8838 13.0925 13.0925 15.1182 15.1182 15.4991 15.4991 15.8697 15.8697 17.0845 17.0845 17.1843 17.1843 17.2364 17.2364 17.2754 17.2754 k =-0.1368 0.3148 0.3432 ( 3909 PWs) bands (ev): -68.9364 -68.9364 -40.6063 -40.6063 -40.5310 -40.5310 -37.7402 -37.7402 -33.2767 -33.2767 -33.2526 -33.2526 -17.3391 -17.3391 -17.1853 -17.1853 -16.7148 -16.7148 -16.6255 -16.6255 -16.4914 -16.4914 -16.4377 -16.4377 10.5966 10.5966 11.6179 11.6179 12.0571 12.0571 12.4668 12.4668 12.9033 12.9033 13.1027 13.1027 15.0564 15.0564 15.4765 15.4765 15.9174 15.9174 17.1098 17.1098 17.1910 17.1910 17.2655 17.2655 17.2779 17.2779 k =-0.1319 0.3035 0.3309 ( 3901 PWs) bands (ev): -68.9365 -68.9365 -40.6081 -40.6081 -40.5304 -40.5304 -37.7397 -37.7397 -33.2755 -33.2755 -33.2526 -33.2526 -17.3394 -17.3394 -17.1796 -17.1796 -16.7155 -16.7155 -16.6242 -16.6242 -16.4885 -16.4885 -16.4365 -16.4365 10.5229 10.5229 11.6003 11.6003 12.0775 12.0775 12.4281 12.4281 12.9224 12.9224 13.1142 13.1142 14.9932 14.9932 15.4541 15.4541 15.9665 15.9665 17.1364 17.1364 17.1978 17.1978 17.2627 17.2627 17.3160 17.3160 k =-0.1270 0.2923 0.3187 ( 3911 PWs) bands (ev): -68.9366 -68.9366 -40.6098 -40.6098 -40.5299 -40.5299 -37.7394 -37.7394 -33.2743 -33.2743 -33.2527 -33.2527 -17.3397 -17.3397 -17.1741 -17.1741 -16.7162 -16.7162 -16.6228 -16.6228 -16.4856 -16.4856 -16.4354 -16.4354 10.4489 10.4489 11.5844 11.5844 12.0900 12.0900 12.3988 12.3988 12.9407 12.9407 13.1269 13.1269 14.9293 14.9293 15.4316 15.4316 16.0170 16.0170 17.1641 17.1641 17.2057 17.2057 17.2612 17.2612 17.3556 17.3556 k =-0.1221 0.2810 0.3064 ( 3909 PWs) bands (ev): -68.9367 -68.9367 -40.6114 -40.6114 -40.5295 -40.5295 -37.7389 -37.7389 -33.2731 -33.2731 -33.2527 -33.2527 -17.3400 -17.3400 -17.1686 -17.1686 -16.7170 -16.7170 -16.6215 -16.6215 -16.4825 -16.4825 -16.4342 -16.4342 10.3752 10.3752 11.5699 11.5699 12.0907 12.0907 12.3829 12.3829 12.9579 12.9579 13.1409 13.1409 14.8651 14.8651 15.4087 15.4087 16.0687 16.0687 17.1927 17.1927 17.2147 17.2147 17.2628 17.2628 17.3951 17.3951 k =-0.1173 0.2698 0.2942 ( 3911 PWs) bands (ev): -68.9368 -68.9368 -40.6131 -40.6131 -40.5290 -40.5290 -37.7385 -37.7385 -33.2720 -33.2720 -33.2526 -33.2526 -17.3402 -17.3402 -17.1632 -17.1632 -16.7177 -16.7177 -16.6201 -16.6201 -16.4793 -16.4793 -16.4332 -16.4332 10.3022 10.3022 11.5564 11.5564 12.0778 12.0778 12.3822 12.3822 12.9737 12.9737 13.1562 13.1562 14.8010 14.8010 15.3852 15.3852 16.1218 16.1218 17.2210 17.2210 17.2248 17.2248 17.2687 17.2687 17.4341 17.4341 k =-0.1124 0.2585 0.2819 ( 3915 PWs) bands (ev): -68.9370 -68.9370 -40.6147 -40.6147 -40.5286 -40.5286 -37.7381 -37.7381 -33.2708 -33.2708 -33.2526 -33.2526 -17.3405 -17.3405 -17.1579 -17.1579 -16.7185 -16.7185 -16.6187 -16.6187 -16.4760 -16.4760 -16.4321 -16.4321 10.2302 10.2302 11.5439 11.5439 12.0531 12.0531 12.3950 12.3950 12.9882 12.9882 13.1730 13.1730 14.7374 14.7374 15.3610 15.3610 16.1760 16.1760 17.2359 17.2359 17.2464 17.2464 17.2815 17.2815 17.4723 17.4723 k =-0.1075 0.2473 0.2697 ( 3917 PWs) bands (ev): -68.9371 -68.9371 -40.6162 -40.6162 -40.5283 -40.5283 -37.7377 -37.7377 -33.2698 -33.2698 -33.2526 -33.2526 -17.3408 -17.3408 -17.1528 -17.1528 -16.7192 -16.7192 -16.6172 -16.6172 -16.4728 -16.4728 -16.4311 -16.4311 10.1598 10.1598 11.5322 11.5322 12.0206 12.0206 12.4173 12.4173 13.0012 13.0012 13.1910 13.1910 14.6744 14.6744 15.3363 15.3363 16.2314 16.2314 17.2479 17.2479 17.2651 17.2651 17.3049 17.3049 17.5095 17.5095 k =-0.1026 0.2361 0.2574 ( 3921 PWs) bands (ev): -68.9372 -68.9372 -40.6177 -40.6177 -40.5279 -40.5279 -37.7374 -37.7374 -33.2687 -33.2687 -33.2525 -33.2525 -17.3410 -17.3410 -17.1477 -17.1477 -16.7200 -16.7200 -16.6157 -16.6157 -16.4695 -16.4695 -16.4300 -16.4300 10.0910 10.0910 11.5211 11.5211 11.9837 11.9837 12.4459 12.4459 13.0127 13.0127 13.2101 13.2101 14.6122 14.6122 15.3110 15.3110 16.2878 16.2878 17.2607 17.2607 17.2800 17.2800 17.3358 17.3358 17.5451 17.5451 k =-0.0977 0.2248 0.2451 ( 3927 PWs) bands (ev): -68.9373 -68.9373 -40.6192 -40.6192 -40.5276 -40.5276 -37.7370 -37.7370 -33.2677 -33.2677 -33.2524 -33.2524 -17.3412 -17.3412 -17.1428 -17.1428 -16.7208 -16.7208 -16.6142 -16.6142 -16.4663 -16.4663 -16.4290 -16.4290 10.0243 10.0243 11.5105 11.5105 11.9448 11.9448 12.4782 12.4782 13.0230 13.0230 13.2301 13.2301 14.5510 14.5510 15.2852 15.2852 16.3451 16.3451 17.2745 17.2745 17.2948 17.2948 17.3702 17.3702 17.5776 17.5776 k =-0.0928 0.2136 0.2329 ( 3927 PWs) bands (ev): -68.9374 -68.9374 -40.6206 -40.6206 -40.5274 -40.5274 -37.7366 -37.7366 -33.2668 -33.2668 -33.2522 -33.2522 -17.3415 -17.3415 -17.1381 -17.1381 -16.7217 -16.7217 -16.6127 -16.6127 -16.4632 -16.4632 -16.4279 -16.4279 9.9598 9.9598 11.5004 11.5004 11.9053 11.9053 12.5130 12.5130 13.0320 13.0320 13.2508 13.2508 14.4910 14.4910 15.2591 15.2591 16.4031 16.4031 17.2892 17.2892 17.3106 17.3106 17.4066 17.4066 17.6033 17.6033 k =-0.0879 0.2023 0.2206 ( 3919 PWs) bands (ev): -68.9375 -68.9375 -40.6219 -40.6219 -40.5271 -40.5271 -37.7362 -37.7362 -33.2659 -33.2659 -33.2520 -33.2520 -17.3417 -17.3417 -17.1335 -17.1335 -16.7225 -16.7225 -16.6111 -16.6111 -16.4603 -16.4603 -16.4268 -16.4268 9.8977 9.8977 11.4907 11.4907 11.8662 11.8662 12.5493 12.5493 13.0401 13.0401 13.2719 13.2719 14.4323 14.4323 15.2328 15.2328 16.4617 16.4617 17.3049 17.3049 17.3275 17.3275 17.4444 17.4444 17.6139 17.6139 k =-0.0831 0.1911 0.2084 ( 3919 PWs) bands (ev): -68.9376 -68.9376 -40.6232 -40.6232 -40.5269 -40.5269 -37.7358 -37.7358 -33.2651 -33.2651 -33.2518 -33.2518 -17.3419 -17.3419 -17.1291 -17.1291 -16.7233 -16.7233 -16.6095 -16.6095 -16.4575 -16.4575 -16.4256 -16.4256 9.8382 9.8382 11.4813 11.4813 11.8280 11.8280 12.5865 12.5865 13.0473 13.0473 13.2931 13.2931 14.3751 14.3751 15.2065 15.2065 16.5208 16.5208 17.3216 17.3216 17.3453 17.3453 17.4834 17.4834 17.6076 17.6076 k =-0.0782 0.1799 0.1961 ( 3915 PWs) bands (ev): -68.9377 -68.9377 -40.6245 -40.6245 -40.5267 -40.5267 -37.7355 -37.7355 -33.2643 -33.2643 -33.2515 -33.2515 -17.3421 -17.3421 -17.1249 -17.1249 -16.7242 -16.7242 -16.6079 -16.6079 -16.4549 -16.4549 -16.4244 -16.4244 9.7814 9.7814 11.4721 11.4721 11.7913 11.7913 12.6242 12.6242 13.0537 13.0537 13.3142 13.3142 14.3193 14.3193 15.1803 15.1803 16.5801 16.5801 17.3392 17.3392 17.3640 17.3640 17.5232 17.5232 17.5934 17.5934 k =-0.0733 0.1686 0.1839 ( 3915 PWs) bands (ev): -68.9378 -68.9378 -40.6257 -40.6257 -40.5265 -40.5265 -37.7351 -37.7351 -33.2637 -33.2637 -33.2512 -33.2512 -17.3424 -17.3424 -17.1209 -17.1209 -16.7250 -16.7250 -16.6062 -16.6062 -16.4526 -16.4526 -16.4230 -16.4230 9.7276 9.7276 11.4632 11.4632 11.7562 11.7562 12.6619 12.6619 13.0596 13.0596 13.3351 13.3351 14.2653 14.2653 15.1544 15.1544 16.6393 16.6393 17.3575 17.3575 17.3832 17.3832 17.5615 17.5615 17.5794 17.5794 k =-0.0684 0.1574 0.1716 ( 3911 PWs) bands (ev): -68.9378 -68.9378 -40.6268 -40.6268 -40.5263 -40.5263 -37.7348 -37.7348 -33.2631 -33.2631 -33.2509 -33.2509 -17.3426 -17.3426 -17.1171 -17.1171 -16.7258 -16.7258 -16.6046 -16.6046 -16.4505 -16.4505 -16.4215 -16.4215 9.6767 9.6767 11.4544 11.4544 11.7232 11.7232 12.6995 12.6995 13.0650 13.0650 13.3555 13.3555 14.2129 14.2129 15.1290 15.1290 16.6982 16.6982 17.3763 17.3763 17.4027 17.4027 17.5573 17.5573 17.6084 17.6084 k =-0.0635 0.1461 0.1593 ( 3907 PWs) bands (ev): -68.9379 -68.9379 -40.6278 -40.6278 -40.5262 -40.5262 -37.7345 -37.7345 -33.2626 -33.2626 -33.2505 -33.2505 -17.3428 -17.3428 -17.1135 -17.1135 -16.7266 -16.7266 -16.6030 -16.6030 -16.4487 -16.4487 -16.4200 -16.4200 9.6289 9.6289 11.4457 11.4457 11.6923 11.6923 12.7366 12.7366 13.0701 13.0701 13.3753 13.3753 14.1624 14.1624 15.1042 15.1042 16.7563 16.7563 17.3954 17.3954 17.4224 17.4224 17.5411 17.5411 17.6508 17.6508 k =-0.0586 0.1349 0.1471 ( 3907 PWs) bands (ev): -68.9380 -68.9380 -40.6288 -40.6288 -40.5260 -40.5260 -37.7342 -37.7342 -33.2622 -33.2622 -33.2501 -33.2501 -17.3430 -17.3430 -17.1101 -17.1101 -16.7274 -16.7274 -16.6015 -16.6015 -16.4472 -16.4472 -16.4183 -16.4183 9.5844 9.5844 11.4371 11.4371 11.6639 11.6639 12.7729 12.7729 13.0749 13.0749 13.3943 13.3943 14.1139 14.1139 15.0804 15.0804 16.8133 16.8133 17.4145 17.4145 17.4420 17.4420 17.5255 17.5255 17.6944 17.6944 k =-0.0537 0.1237 0.1348 ( 3915 PWs) bands (ev): -68.9381 -68.9381 -40.6297 -40.6297 -40.5259 -40.5259 -37.7339 -37.7339 -33.2618 -33.2618 -33.2497 -33.2497 -17.3431 -17.3431 -17.1070 -17.1070 -16.7281 -16.7281 -16.6000 -16.6000 -16.4460 -16.4460 -16.4167 -16.4167 9.5431 9.5431 11.4285 11.4285 11.6379 11.6379 12.8082 12.8082 13.0797 13.0797 13.4125 13.4125 14.0674 14.0674 15.0575 15.0575 16.8687 16.8687 17.4333 17.4333 17.4614 17.4614 17.5111 17.5111 17.7387 17.7387 k =-0.0489 0.1124 0.1226 ( 3917 PWs) bands (ev): -68.9381 -68.9381 -40.6305 -40.6305 -40.5258 -40.5258 -37.7337 -37.7337 -33.2615 -33.2615 -33.2493 -33.2493 -17.3433 -17.3433 -17.1042 -17.1042 -16.7288 -16.7288 -16.5985 -16.5985 -16.4449 -16.4449 -16.4150 -16.4150 9.5051 9.5051 11.4201 11.4201 11.6145 11.6145 12.8419 12.8419 13.0845 13.0845 13.4296 13.4296 14.0231 14.0231 15.0359 15.0359 16.9220 16.9220 17.4514 17.4514 17.4801 17.4801 17.4985 17.4985 17.7836 17.7836 k =-0.0440 0.1012 0.1103 ( 3917 PWs) bands (ev): -68.9382 -68.9382 -40.6313 -40.6313 -40.5257 -40.5257 -37.7335 -37.7335 -33.2613 -33.2613 -33.2489 -33.2489 -17.3435 -17.3435 -17.1016 -17.1016 -16.7294 -16.7294 -16.5972 -16.5972 -16.4441 -16.4441 -16.4133 -16.4133 9.4706 9.4706 11.4117 11.4117 11.5938 11.5938 12.8738 12.8738 13.0896 13.0896 13.4456 13.4456 13.9811 13.9811 15.0157 15.0157 16.9725 16.9725 17.4676 17.4676 17.4880 17.4880 17.4987 17.4987 17.8290 17.8290 k =-0.0391 0.0899 0.0981 ( 3915 PWs) bands (ev): -68.9383 -68.9383 -40.6320 -40.6320 -40.5256 -40.5256 -37.7332 -37.7332 -33.2611 -33.2611 -33.2485 -33.2485 -17.3436 -17.3436 -17.0992 -17.0992 -16.7300 -16.7300 -16.5959 -16.5959 -16.4434 -16.4434 -16.4117 -16.4117 9.4396 9.4396 11.4036 11.4036 11.5757 11.5757 12.9033 12.9033 13.0951 13.0951 13.4605 13.4605 13.9417 13.9417 14.9970 14.9970 17.0195 17.0195 17.4724 17.4724 17.4904 17.4904 17.5155 17.5155 17.8746 17.8746 k =-0.0342 0.0787 0.0858 ( 3915 PWs) bands (ev): -68.9383 -68.9383 -40.6326 -40.6326 -40.5256 -40.5256 -37.7331 -37.7331 -33.2609 -33.2609 -33.2482 -33.2482 -17.3438 -17.3438 -17.0972 -17.0972 -16.7306 -16.7306 -16.5948 -16.5948 -16.4429 -16.4429 -16.4103 -16.4103 9.4121 9.4121 11.3957 11.3957 11.5603 11.5603 12.9300 12.9300 13.1013 13.1013 13.4740 13.4740 13.9050 13.9050 14.9801 14.9801 17.0624 17.0624 17.4664 17.4664 17.5040 17.5040 17.5313 17.5313 17.9203 17.9203 k =-0.0293 0.0674 0.0735 ( 3911 PWs) bands (ev): -68.9383 -68.9383 -40.6331 -40.6331 -40.5255 -40.5255 -37.7329 -37.7329 -33.2608 -33.2608 -33.2478 -33.2478 -17.3439 -17.3439 -17.0953 -17.0953 -16.7310 -16.7310 -16.5938 -16.5938 -16.4425 -16.4425 -16.4089 -16.4089 9.3882 9.3882 11.3883 11.3883 11.5474 11.5474 12.9531 12.9531 13.1082 13.1082 13.4862 13.4862 13.8715 13.8715 14.9651 14.9651 17.1005 17.1005 17.4607 17.4607 17.5176 17.5176 17.5456 17.5456 17.9657 17.9657 k =-0.0244 0.0562 0.0613 ( 3915 PWs) bands (ev): -68.9384 -68.9384 -40.6335 -40.6335 -40.5255 -40.5255 -37.7328 -37.7328 -33.2607 -33.2607 -33.2475 -33.2475 -17.3440 -17.3440 -17.0938 -17.0938 -16.7315 -16.7315 -16.5929 -16.5929 -16.4422 -16.4422 -16.4077 -16.4077 9.3679 9.3679 11.3816 11.3816 11.5368 11.5368 12.9724 12.9724 13.1159 13.1159 13.4970 13.4970 13.8415 13.8415 14.9522 14.9522 17.1331 17.1331 17.4567 17.4567 17.5298 17.5298 17.5581 17.5581 18.0102 18.0102 k =-0.0195 0.0450 0.0490 ( 3927 PWs) bands (ev): -68.9384 -68.9384 -40.6339 -40.6339 -40.5254 -40.5254 -37.7327 -37.7327 -33.2606 -33.2606 -33.2473 -33.2473 -17.3441 -17.3441 -17.0925 -17.0925 -16.7318 -16.7318 -16.5921 -16.5921 -16.4420 -16.4420 -16.4067 -16.4067 9.3513 9.3513 11.3758 11.3758 11.5284 11.5284 12.9876 12.9876 13.1239 13.1239 13.5062 13.5062 13.8156 13.8156 14.9414 14.9414 17.1598 17.1598 17.4543 17.4543 17.5401 17.5401 17.5688 17.5688 18.0529 18.0529 k =-0.0147 0.0337 0.0368 ( 3927 PWs) bands (ev): -68.9384 -68.9384 -40.6342 -40.6342 -40.5254 -40.5254 -37.7326 -37.7326 -33.2606 -33.2606 -33.2471 -33.2471 -17.3442 -17.3442 -17.0915 -17.0915 -16.7321 -16.7321 -16.5916 -16.5916 -16.4419 -16.4419 -16.4060 -16.4060 9.3383 9.3383 11.3710 11.3710 11.5221 11.5221 12.9988 12.9988 13.1317 13.1317 13.5138 13.5138 13.7943 13.7943 14.9329 14.9329 17.1804 17.1804 17.4533 17.4533 17.5484 17.5484 17.5773 17.5773 18.0921 18.0921 k =-0.0098 0.0225 0.0245 ( 3923 PWs) bands (ev): -68.9385 -68.9385 -40.6344 -40.6344 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2470 -33.2470 -17.3442 -17.3442 -17.0908 -17.0908 -16.7323 -16.7323 -16.5911 -16.5911 -16.4417 -16.4417 -16.4054 -16.4054 9.3291 9.3291 11.3675 11.3675 11.5177 11.5177 13.0063 13.0063 13.1382 13.1382 13.5194 13.5194 13.7783 13.7783 14.9267 14.9267 17.1949 17.1949 17.4531 17.4531 17.5544 17.5544 17.5834 17.5834 18.1246 18.1246 k =-0.0049 0.0112 0.0123 ( 3923 PWs) bands (ev): -68.9385 -68.9385 -40.6345 -40.6345 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3442 -17.3442 -17.0904 -17.0904 -16.7324 -16.7324 -16.5909 -16.5909 -16.4417 -16.4417 -16.4050 -16.4050 9.3235 9.3235 11.3653 11.3653 11.5151 11.5151 13.0107 13.0107 13.1425 13.1425 13.5230 13.5230 13.7684 13.7684 14.9230 14.9230 17.2034 17.2034 17.4533 17.4533 17.5580 17.5580 17.5872 17.5872 18.1462 18.1462 k = 0.0000 0.0000 0.0000 ( 3927 PWs) bands (ev): -68.9385 -68.9385 -40.6346 -40.6346 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3443 -17.3443 -17.0903 -17.0903 -16.7324 -16.7324 -16.5908 -16.5908 -16.4417 -16.4417 -16.4049 -16.4049 9.3216 9.3216 11.3646 11.3646 11.5142 11.5142 13.0121 13.0121 13.1440 13.1440 13.5242 13.5242 13.7651 13.7651 14.9218 14.9218 17.2062 17.2062 17.4534 17.4534 17.5593 17.5593 17.5884 17.5884 18.1537 18.1537 k = 0.0000 0.0000 0.0000 ( 3927 PWs) bands (ev): -68.9385 -68.9385 -40.6346 -40.6346 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3443 -17.3443 -17.0903 -17.0903 -16.7324 -16.7324 -16.5908 -16.5908 -16.4417 -16.4417 -16.4049 -16.4049 9.3216 9.3216 11.3646 11.3646 11.5142 11.5142 13.0121 13.0121 13.1440 13.1440 13.5242 13.5242 13.7651 13.7651 14.9218 14.9218 17.2062 17.2062 17.4534 17.4534 17.5593 17.5593 17.5884 17.5885 18.1537 18.1537 k = 0.0156 0.0068-0.0000 ( 3927 PWs) bands (ev): -68.9385 -68.9385 -40.6345 -40.6345 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3442 -17.3442 -17.0903 -17.0903 -16.7323 -16.7323 -16.5908 -16.5908 -16.4418 -16.4418 -16.4049 -16.4049 9.3233 9.3233 11.3643 11.3643 11.5138 11.5138 13.0120 13.0120 13.1440 13.1440 13.5242 13.5242 13.7616 13.7616 14.9231 14.9231 17.2038 17.2038 17.4522 17.4522 17.5552 17.5552 17.5845 17.5845 18.1591 18.1591 k = 0.0312 0.0136-0.0000 ( 3919 PWs) bands (ev): -68.9385 -68.9385 -40.6345 -40.6345 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3440 -17.3440 -17.0905 -17.0905 -16.7321 -16.7321 -16.5908 -16.5908 -16.4421 -16.4421 -16.4049 -16.4049 9.3282 9.3282 11.3634 11.3634 11.5124 11.5124 13.0116 13.0116 13.1437 13.1437 13.5243 13.5243 13.7513 13.7513 14.9270 14.9270 17.1964 17.1964 17.4487 17.4487 17.5432 17.5432 17.5730 17.5730 18.1747 18.1747 k = 0.0469 0.0204-0.0000 ( 3919 PWs) bands (ev): -68.9385 -68.9385 -40.6345 -40.6345 -40.5254 -40.5254 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3436 -17.3436 -17.0908 -17.0908 -16.7317 -16.7317 -16.5908 -16.5908 -16.4426 -16.4426 -16.4049 -16.4049 9.3364 9.3364 11.3620 11.3620 11.5102 11.5102 13.0111 13.0111 13.1433 13.1433 13.5244 13.5244 13.7342 13.7342 14.9336 14.9336 17.1845 17.1845 17.4429 17.4429 17.5246 17.5246 17.5551 17.5551 18.1994 18.1994 k = 0.0625 0.0272-0.0000 ( 3919 PWs) bands (ev): -68.9385 -68.9385 -40.6344 -40.6344 -40.5255 -40.5255 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3431 -17.3431 -17.0913 -17.0913 -16.7311 -16.7311 -16.5909 -16.5909 -16.4433 -16.4433 -16.4048 -16.4048 9.3479 9.3479 11.3600 11.3600 11.5071 11.5071 13.0103 13.0103 13.1427 13.1427 13.5246 13.5246 13.7103 13.7103 14.9427 14.9427 17.1685 17.1685 17.4347 17.4347 17.5008 17.5008 17.5321 17.5321 18.2316 18.2316 k = 0.0781 0.0340-0.0000 ( 3923 PWs) bands (ev): -68.9385 -68.9385 -40.6344 -40.6344 -40.5256 -40.5256 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3424 -17.3424 -17.0918 -17.0918 -16.7304 -16.7304 -16.5909 -16.5909 -16.4442 -16.4442 -16.4048 -16.4048 9.3625 9.3625 11.3575 11.3575 11.5033 11.5033 13.0092 13.0092 13.1419 13.1419 13.5249 13.5249 13.6799 13.6799 14.9544 14.9544 17.1489 17.1489 17.4243 17.4243 17.4733 17.4733 17.5053 17.5053 18.2699 18.2699 k = 0.0938 0.0407-0.0000 ( 3927 PWs) bands (ev): -68.9385 -68.9385 -40.6343 -40.6343 -40.5257 -40.5257 -37.7325 -37.7325 -33.2605 -33.2605 -33.2469 -33.2469 -17.3416 -17.3416 -17.0925 -17.0925 -16.7295 -16.7295 -16.5910 -16.5910 -16.4453 -16.4453 -16.4047 -16.4047 9.3804 9.3804 11.3544 11.3544 11.4987 11.4987 13.0080 13.0080 13.1410 13.1410 13.5252 13.5252 13.6430 13.6430 14.9685 14.9685 17.1264 17.1264 17.4116 17.4116 17.4432 17.4432 17.4759 17.4759 18.3129 18.3129 k = 0.1094 0.0475-0.0000 ( 3915 PWs) bands (ev): -68.9385 -68.9385 -40.6342 -40.6342 -40.5258 -40.5258 -37.7324 -37.7324 -33.2604 -33.2604 -33.2468 -33.2468 -17.3407 -17.3407 -17.0933 -17.0933 -16.7285 -16.7285 -16.5910 -16.5910 -16.4466 -16.4466 -16.4047 -16.4047 9.4014 9.4014 11.3509 11.3509 11.4934 11.4934 13.0065 13.0065 13.1399 13.1399 13.5255 13.5255 13.5999 13.5999 14.9850 14.9850 17.1017 17.1017 17.3967 17.3967 17.4116 17.4116 17.4449 17.4449 18.3546 18.3546 k = 0.1250 0.0543-0.0000 ( 3903 PWs) bands (ev): -68.9385 -68.9385 -40.6341 -40.6341 -40.5259 -40.5259 -37.7324 -37.7324 -33.2604 -33.2604 -33.2468 -33.2468 -17.3397 -17.3397 -17.0941 -17.0941 -16.7273 -16.7273 -16.5911 -16.5911 -16.4480 -16.4480 -16.4046 -16.4046 9.4255 9.4255 11.3470 11.3470 11.4875 11.4875 13.0048 13.0048 13.1387 13.1387 13.5259 13.5259 13.5510 13.5510 15.0038 15.0038 17.0756 17.0756 17.3792 17.3792 17.3797 17.3797 17.4131 17.4131 18.3437 18.3437 k = 0.1406 0.0611-0.0000 ( 3891 PWs) bands (ev): -68.9385 -68.9385 -40.6339 -40.6339 -40.5260 -40.5260 -37.7323 -37.7323 -33.2603 -33.2603 -33.2468 -33.2468 -17.3385 -17.3385 -17.0951 -17.0951 -16.7260 -16.7260 -16.5912 -16.5912 -16.4496 -16.4496 -16.4045 -16.4045 9.4527 9.4527 11.3427 11.3427 11.4812 11.4812 13.0029 13.0029 13.1374 13.1374 13.4964 13.4964 13.5264 13.5264 15.0249 15.0249 17.0485 17.0485 17.3465 17.3465 17.3603 17.3603 17.3813 17.3813 18.3319 18.3319 k = 0.1562 0.0679-0.0000 ( 3895 PWs) bands (ev): -68.9385 -68.9385 -40.6338 -40.6338 -40.5262 -40.5262 -37.7324 -37.7324 -33.2603 -33.2603 -33.2468 -33.2468 -17.3373 -17.3373 -17.0962 -17.0962 -16.7246 -16.7246 -16.5912 -16.5912 -16.4514 -16.4514 -16.4044 -16.4044 9.4827 9.4827 11.3380 11.3380 11.4745 11.4745 13.0007 13.0007 13.1360 13.1360 13.4365 13.4365 13.5269 13.5269 15.0480 15.0480 17.0212 17.0212 17.3141 17.3141 17.3383 17.3383 17.3503 17.3503 18.3193 18.3193 k = 0.1719 0.0747-0.0000 ( 3895 PWs) bands (ev): -68.9385 -68.9385 -40.6336 -40.6336 -40.5263 -40.5263 -37.7323 -37.7323 -33.2603 -33.2603 -33.2468 -33.2468 -17.3359 -17.3359 -17.0973 -17.0973 -16.7231 -16.7231 -16.5913 -16.5913 -16.4533 -16.4533 -16.4043 -16.4043 9.5156 9.5156 11.3331 11.3331 11.4675 11.4675 12.9981 12.9981 13.1345 13.1345 13.3719 13.3719 13.5274 13.5274 15.0730 15.0730 16.9942 16.9942 17.2821 17.2821 17.3122 17.3122 17.3220 17.3220 18.3062 18.3062 k = 0.1875 0.0815-0.0000 ( 3895 PWs) bands (ev): -68.9385 -68.9385 -40.6335 -40.6335 -40.5265 -40.5265 -37.7323 -37.7323 -33.2603 -33.2603 -33.2468 -33.2468 -17.3345 -17.3345 -17.0986 -17.0986 -16.7214 -16.7214 -16.5914 -16.5914 -16.4553 -16.4553 -16.4042 -16.4042 9.5513 9.5513 11.3279 11.3279 11.4604 11.4604 12.9951 12.9951 13.1329 13.1329 13.3031 13.3031 13.5280 13.5280 15.0999 15.0999 16.9677 16.9677 17.2509 17.2509 17.2828 17.2828 17.2959 17.2959 18.2928 18.2928 k = 0.2031 0.0883-0.0000 ( 3903 PWs) bands (ev): -68.9385 -68.9385 -40.6333 -40.6333 -40.5267 -40.5267 -37.7324 -37.7324 -33.2603 -33.2603 -33.2468 -33.2468 -17.3330 -17.3330 -17.0998 -17.0998 -16.7197 -16.7197 -16.5915 -16.5915 -16.4574 -16.4574 -16.4041 -16.4041 9.5896 9.5896 11.3225 11.3225 11.4533 11.4533 12.9911 12.9911 13.1312 13.1312 13.2309 13.2309 13.5286 13.5286 15.1285 15.1285 16.9423 16.9423 17.2206 17.2206 17.2531 17.2531 17.2695 17.2695 18.2793 18.2793 k = 0.2188 0.0951-0.0000 ( 3923 PWs) bands (ev): -68.9385 -68.9385 -40.6332 -40.6332 -40.5269 -40.5269 -37.7324 -37.7324 -33.2604 -33.2604 -33.2469 -33.2469 -17.3314 -17.3314 -17.1012 -17.1012 -16.7179 -16.7179 -16.5916 -16.5916 -16.4597 -16.4597 -16.4040 -16.4040 9.6303 9.6303 11.3170 11.3170 11.4464 11.4464 12.9853 12.9853 13.1295 13.1295 13.1567 13.1567 13.5292 13.5292 15.1585 15.1585 16.9181 16.9181 17.1915 17.1915 17.2240 17.2240 17.2421 17.2421 18.2657 18.2657 k = 0.2344 0.1019-0.0000 ( 3931 PWs) bands (ev): -68.9385 -68.9385 -40.6330 -40.6330 -40.5270 -40.5270 -37.7324 -37.7324 -33.2604 -33.2604 -33.2469 -33.2469 -17.3298 -17.3298 -17.1026 -17.1026 -16.7160 -16.7160 -16.5917 -16.5917 -16.4620 -16.4620 -16.4039 -16.4039 9.6734 9.6734 11.3115 11.3115 11.4398 11.4398 12.9738 12.9738 13.0850 13.0850 13.1278 13.1278 13.5298 13.5298 15.1899 15.1899 16.8953 16.8953 17.1635 17.1635 17.1956 17.1956 17.2137 17.2137 18.2522 18.2522 k = 0.2500 0.1087-0.0000 ( 3923 PWs) bands (ev): -68.9385 -68.9385 -40.6328 -40.6328 -40.5272 -40.5272 -37.7324 -37.7324 -33.2603 -33.2603 -33.2469 -33.2469 -17.3281 -17.3281 -17.1040 -17.1040 -16.7141 -16.7141 -16.5918 -16.5918 -16.4643 -16.4643 -16.4038 -16.4038 9.7185 9.7185 11.3059 11.3059 11.4337 11.4337 12.9416 12.9416 13.0311 13.0311 13.1261 13.1261 13.5305 13.5305 15.2225 15.2225 16.8741 16.8741 17.1368 17.1368 17.1680 17.1680 17.1847 17.1847 18.2389 18.2389 k = 0.2656 0.1155-0.0000 ( 3923 PWs) bands (ev): -68.9385 -68.9385 -40.6327 -40.6327 -40.5274 -40.5274 -37.7324 -37.7324 -33.2603 -33.2603 -33.2469 -33.2469 -17.3264 -17.3264 -17.1054 -17.1054 -16.7122 -16.7122 -16.5919 -16.5919 -16.4667 -16.4667 -16.4037 -16.4037 9.7655 9.7655 11.3003 11.3003 11.4283 11.4283 12.8760 12.8760 13.0084 13.0084 13.1243 13.1243 13.5312 13.5312 15.2559 15.2559 16.8544 16.8544 17.1115 17.1115 17.1406 17.1406 17.1559 17.1559 18.2260 18.2260 k = 0.2812 0.1222-0.0000 ( 3931 PWs) bands (ev): -68.9385 -68.9385 -40.6325 -40.6325 -40.5276 -40.5276 -37.7324 -37.7324 -33.2603 -33.2603 -33.2469 -33.2469 -17.3247 -17.3247 -17.1068 -17.1068 -16.7102 -16.7102 -16.5920 -16.5920 -16.4691 -16.4691 -16.4035 -16.4035 9.8141 9.8141 11.2949 11.2949 11.4239 11.4239 12.7947 12.7947 12.9995 12.9995 13.1226 13.1226 13.5318 13.5318 15.2900 15.2900 16.8364 16.8364 17.0877 17.0877 17.1123 17.1123 17.1288 17.1288 18.2134 18.2134 k = 0.2969 0.1290-0.0000 ( 3943 PWs) bands (ev): -68.9385 -68.9385 -40.6323 -40.6323 -40.5278 -40.5278 -37.7324 -37.7324 -33.2603 -33.2603 -33.2469 -33.2469 -17.3231 -17.3231 -17.1082 -17.1082 -16.7082 -16.7082 -16.5921 -16.5921 -16.4715 -16.4715 -16.4034 -16.4034 9.8640 9.8640 11.2896 11.2896 11.4206 11.4206 12.7082 12.7082 12.9945 12.9945 13.1209 13.1209 13.5325 13.5325 15.3246 15.3246 16.8199 16.8199 17.0654 17.0654 17.0822 17.0822 17.1044 17.1044 18.2014 18.2014 k = 0.3125 0.1358-0.0000 ( 3939 PWs) bands (ev): -68.9385 -68.9385 -40.6321 -40.6321 -40.5280 -40.5280 -37.7324 -37.7324 -33.2603 -33.2603 -33.2470 -33.2470 -17.3214 -17.3214 -17.1096 -17.1096 -16.7063 -16.7063 -16.5922 -16.5922 -16.4739 -16.4739 -16.4033 -16.4033 9.9147 9.9147 11.2844 11.2844 11.4188 11.4188 12.6195 12.6195 12.9909 12.9909 13.1192 13.1192 13.5331 13.5331 15.3592 15.3592 16.8051 16.8051 17.0446 17.0446 17.0509 17.0509 17.0825 17.0825 18.1900 18.1900 k = 0.3281 0.1426-0.0000 ( 3955 PWs) bands (ev): -68.9385 -68.9385 -40.6320 -40.6320 -40.5281 -40.5281 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3198 -17.3198 -17.1110 -17.1110 -16.7044 -16.7044 -16.5923 -16.5923 -16.4762 -16.4762 -16.4032 -16.4032 9.9659 9.9659 11.2796 11.2796 11.4187 11.4187 12.5299 12.5299 12.9881 12.9881 13.1177 13.1177 13.5337 13.5337 15.3937 15.3937 16.7918 16.7918 17.0192 17.0192 17.0253 17.0253 17.0626 17.0626 18.1792 18.1792 k = 0.3438 0.1494-0.0000 ( 3955 PWs) bands (ev): -68.9385 -68.9385 -40.6318 -40.6318 -40.5283 -40.5283 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3183 -17.3183 -17.1123 -17.1123 -16.7026 -16.7026 -16.5924 -16.5924 -16.4784 -16.4784 -16.4031 -16.4031 10.0170 10.0170 11.2749 11.2749 11.4208 11.4208 12.4402 12.4402 12.9857 12.9857 13.1162 13.1162 13.5343 13.5343 15.4276 15.4276 16.7799 16.7799 16.9876 16.9876 17.0077 17.0077 17.0446 17.0446 18.1692 18.1692 k = 0.3594 0.1562-0.0000 ( 3951 PWs) bands (ev): -68.9385 -68.9385 -40.6317 -40.6317 -40.5284 -40.5284 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3168 -17.3168 -17.1135 -17.1135 -16.7008 -16.7008 -16.5924 -16.5924 -16.4805 -16.4805 -16.4030 -16.4030 10.0673 10.0673 11.2706 11.2706 11.4254 11.4254 12.3510 12.3510 12.9836 12.9836 13.1148 13.1148 13.5349 13.5349 15.4606 15.4606 16.7694 16.7694 16.9567 16.9567 16.9916 16.9916 17.0284 17.0284 18.1599 18.1599 k = 0.3750 0.1630-0.0000 ( 3963 PWs) bands (ev): -68.9385 -68.9385 -40.6316 -40.6316 -40.5286 -40.5286 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3155 -17.3155 -17.1146 -17.1146 -16.6992 -16.6992 -16.5925 -16.5925 -16.4825 -16.4825 -16.4030 -16.4030 10.1163 10.1163 11.2667 11.2667 11.4330 11.4330 12.2631 12.2631 12.9817 12.9817 13.1135 13.1135 13.5354 13.5354 15.4923 15.4923 16.7603 16.7603 16.9269 16.9269 16.9773 16.9773 17.0138 17.0138 18.1515 18.1515 k = 0.3906 0.1698-0.0000 ( 3963 PWs) bands (ev): -68.9385 -68.9385 -40.6314 -40.6314 -40.5287 -40.5287 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3143 -17.3143 -17.1157 -17.1157 -16.6977 -16.6977 -16.5926 -16.5926 -16.4843 -16.4843 -16.4029 -16.4029 10.1629 10.1629 11.2631 11.2631 11.4440 11.4440 12.1769 12.1769 12.9801 12.9801 13.1123 13.1123 13.5359 13.5359 15.5221 15.5221 16.7524 16.7524 16.8988 16.8988 16.9645 16.9645 17.0010 17.0010 18.1440 18.1440 k = 0.4062 0.1766-0.0000 ( 3955 PWs) bands (ev): -68.9385 -68.9385 -40.6313 -40.6313 -40.5288 -40.5288 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3131 -17.3131 -17.1166 -17.1166 -16.6963 -16.6963 -16.5926 -16.5926 -16.4859 -16.4859 -16.4028 -16.4028 10.2064 10.2064 11.2600 11.2600 11.4591 11.4591 12.0932 12.0932 12.9787 12.9787 13.1113 13.1113 13.5363 13.5363 15.5495 15.5495 16.7457 16.7457 16.8727 16.8727 16.9535 16.9535 16.9898 16.9898 18.1374 18.1374 k = 0.4219 0.1834-0.0000 ( 3947 PWs) bands (ev): -68.9385 -68.9385 -40.6312 -40.6312 -40.5289 -40.5289 -37.7324 -37.7324 -33.2602 -33.2602 -33.2470 -33.2470 -17.3122 -17.3122 -17.1175 -17.1175 -16.6952 -16.6952 -16.5927 -16.5927 -16.4873 -16.4873 -16.4028 -16.4028 10.2457 10.2457 11.2573 11.2573 11.4787 11.4787 12.0127 12.0127 12.9775 12.9775 13.1104 13.1104 13.5367 13.5367 15.5740 15.5740 16.7401 16.7401 16.8494 16.8494 16.9441 16.9441 16.9804 16.9804 18.1317 18.1317 k = 0.4375 0.1902-0.0000 ( 3947 PWs) bands (ev): -68.9385 -68.9385 -40.6312 -40.6312 -40.5290 -40.5290 -37.7324 -37.7324 -33.2602 -33.2602 -33.2470 -33.2470 -17.3114 -17.3114 -17.1182 -17.1182 -16.6942 -16.6942 -16.5927 -16.5927 -16.4885 -16.4885 -16.4027 -16.4027 10.2798 10.2798 11.2550 11.2550 11.5034 11.5034 11.9361 11.9361 12.9766 12.9766 13.1096 13.1096 13.5370 13.5370 15.5951 15.5951 16.7356 16.7356 16.8293 16.8293 16.9364 16.9364 16.9727 16.9727 18.1270 18.1270 k = 0.4531 0.1969-0.0000 ( 3947 PWs) bands (ev): -68.9385 -68.9385 -40.6311 -40.6311 -40.5291 -40.5291 -37.7324 -37.7324 -33.2602 -33.2602 -33.2470 -33.2470 -17.3107 -17.3107 -17.1187 -17.1187 -16.6934 -16.6934 -16.5928 -16.5928 -16.4895 -16.4895 -16.4027 -16.4027 10.3076 10.3076 11.2532 11.2532 11.5333 11.5333 11.8643 11.8643 12.9758 12.9758 13.1091 13.1091 13.5372 13.5372 15.6122 15.6122 16.7322 16.7322 16.8129 16.8129 16.9305 16.9305 16.9666 16.9666 18.1234 18.1234 k = 0.4688 0.2037-0.0000 ( 3947 PWs) bands (ev): -68.9385 -68.9385 -40.6311 -40.6311 -40.5291 -40.5291 -37.7324 -37.7324 -33.2602 -33.2602 -33.2470 -33.2470 -17.3103 -17.3103 -17.1191 -17.1191 -16.6928 -16.6928 -16.5928 -16.5928 -16.4902 -16.4902 -16.4026 -16.4026 10.3282 10.3282 11.2520 11.2520 11.5682 11.5682 11.7987 11.7987 12.9753 12.9753 13.1086 13.1086 13.5374 13.5374 15.6249 15.6249 16.7298 16.7298 16.8009 16.8009 16.9262 16.9262 16.9623 16.9623 18.1208 18.1208 k = 0.4844 0.2105-0.0000 ( 3956 PWs) bands (ev): -68.9385 -68.9385 -40.6310 -40.6310 -40.5292 -40.5292 -37.7324 -37.7324 -33.2603 -33.2603 -33.2470 -33.2470 -17.3100 -17.3100 -17.1193 -17.1193 -16.6924 -16.6924 -16.5928 -16.5928 -16.4906 -16.4906 -16.4026 -16.4026 10.3408 10.3408 11.2512 11.2512 11.6053 11.6053 11.7427 11.7427 12.9749 12.9749 13.1084 13.1084 13.5375 13.5375 15.6326 15.6326 16.7283 16.7283 16.7934 16.7934 16.9236 16.9236 16.9598 16.9598 18.1192 18.1192 k = 0.5000 0.2173-0.0000 ( 3956 PWs) bands (ev): -68.9385 -68.9385 -40.6310 -40.6310 -40.5292 -40.5292 -37.7324 -37.7324 -33.2603 -33.2603 -33.2470 -33.2470 -17.3099 -17.3099 -17.1194 -17.1194 -16.6923 -16.6923 -16.5928 -16.5928 -16.4907 -16.4907 -16.4026 -16.4026 10.3451 10.3451 11.2510 11.2510 11.6279 11.6279 11.7138 11.7138 12.9748 12.9748 13.1083 13.1083 13.5376 13.5376 15.6352 15.6352 16.7278 16.7278 16.7909 16.7909 16.9228 16.9228 16.9589 16.9589 18.1187 18.1187 k = 0.5000 0.2173-0.0000 ( 3956 PWs) bands (ev): -68.9385 -68.9385 -40.6310 -40.6310 -40.5292 -40.5292 -37.7324 -37.7324 -33.2603 -33.2603 -33.2470 -33.2470 -17.3099 -17.3099 -17.1194 -17.1194 -16.6923 -16.6923 -16.5928 -16.5928 -16.4907 -16.4907 -16.4026 -16.4026 10.3451 10.3451 11.2510 11.2510 11.6279 11.6279 11.7138 11.7138 12.9748 12.9748 13.1083 13.1083 13.5376 13.5376 15.6352 15.6352 16.7278 16.7278 16.7909 16.7909 16.9228 16.9228 16.9589 16.9589 18.1187 18.1187 k = 0.4952 0.2284 0.0121 ( 3960 PWs) bands (ev): -68.9385 -68.9385 -40.6310 -40.6310 -40.5292 -40.5292 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3099 -17.3099 -17.1195 -17.1195 -16.6923 -16.6923 -16.5929 -16.5929 -16.4907 -16.4907 -16.4027 -16.4027 10.3466 10.3466 11.2518 11.2518 11.6281 11.6281 11.7148 11.7148 12.9751 12.9751 13.1084 13.1084 13.5365 13.5365 15.6349 15.6349 16.7276 16.7276 16.7923 16.7923 16.9240 16.9240 16.9600 16.9600 18.1186 18.1186 k = 0.4904 0.2395 0.0242 ( 3956 PWs) bands (ev): -68.9385 -68.9385 -40.6309 -40.6309 -40.5292 -40.5292 -37.7325 -37.7325 -33.2603 -33.2603 -33.2471 -33.2471 -17.3099 -17.3099 -17.1199 -17.1199 -16.6922 -16.6922 -16.5933 -16.5933 -16.4906 -16.4906 -16.4030 -16.4030 10.3508 10.3508 11.2542 11.2542 11.6287 11.6287 11.7178 11.7178 12.9758 12.9758 13.1086 13.1086 13.5332 13.5332 15.6339 15.6339 16.7268 16.7268 16.7963 16.7963 16.9275 16.9275 16.9631 16.9631 18.1185 18.1185 k = 0.4855 0.2506 0.0363 ( 3956 PWs) bands (ev): -68.9384 -68.9384 -40.6306 -40.6306 -40.5292 -40.5292 -37.7326 -37.7326 -33.2603 -33.2603 -33.2472 -33.2472 -17.3100 -17.3100 -17.1205 -17.1205 -16.6921 -16.6921 -16.5939 -16.5939 -16.4905 -16.4905 -16.4035 -16.4035 10.3580 10.3580 11.2584 11.2584 11.6297 11.6297 11.7227 11.7227 12.9771 12.9771 13.1089 13.1089 13.5278 13.5278 15.6324 15.6324 16.7256 16.7256 16.8028 16.8028 16.9333 16.9333 16.9685 16.9685 18.1183 18.1183 k = 0.4807 0.2617 0.0483 ( 3954 PWs) bands (ev): -68.9384 -68.9384 -40.6303 -40.6303 -40.5293 -40.5293 -37.7326 -37.7326 -33.2604 -33.2604 -33.2474 -33.2474 -17.3101 -17.3101 -17.1214 -17.1214 -16.6919 -16.6919 -16.5947 -16.5947 -16.4904 -16.4904 -16.4041 -16.4041 10.3679 10.3679 11.2642 11.2642 11.6311 11.6311 11.7294 11.7294 12.9789 12.9789 13.1096 13.1096 13.5203 13.5203 15.6303 15.6303 16.7239 16.7239 16.8119 16.8119 16.9410 16.9410 16.9762 16.9762 18.1180 18.1180 k = 0.4759 0.2727 0.0604 ( 3950 PWs) bands (ev): -68.9384 -68.9384 -40.6299 -40.6299 -40.5294 -40.5294 -37.7327 -37.7327 -33.2605 -33.2605 -33.2476 -33.2476 -17.3102 -17.3102 -17.1225 -17.1225 -16.6917 -16.6917 -16.5957 -16.5957 -16.4903 -16.4903 -16.4049 -16.4049 10.3805 10.3805 11.2717 11.2717 11.6328 11.6328 11.7380 11.7380 12.9810 12.9810 13.1108 13.1108 13.5108 13.5108 15.6276 15.6276 16.7218 16.7218 16.8234 16.8234 16.9503 16.9503 16.9865 16.9865 18.1176 18.1176 k = 0.4711 0.2838 0.0725 ( 3950 PWs) bands (ev): -68.9384 -68.9384 -40.6295 -40.6295 -40.5295 -40.5295 -37.7329 -37.7329 -33.2606 -33.2606 -33.2479 -33.2479 -17.3103 -17.3103 -17.1239 -17.1239 -16.6914 -16.6914 -16.5969 -16.5969 -16.4901 -16.4901 -16.4059 -16.4059 10.3958 10.3958 11.2809 11.2809 11.6348 11.6348 11.7483 11.7483 12.9834 12.9834 13.1126 13.1126 13.4995 13.4995 15.6246 15.6246 16.7193 16.7193 16.8371 16.8371 16.9608 16.9608 16.9994 16.9994 18.1172 18.1172 k = 0.4663 0.2949 0.0846 ( 3938 PWs) bands (ev): -68.9383 -68.9383 -40.6289 -40.6289 -40.5296 -40.5296 -37.7330 -37.7330 -33.2607 -33.2607 -33.2482 -33.2482 -17.3105 -17.3105 -17.1255 -17.1255 -16.6910 -16.6910 -16.5983 -16.5983 -16.4900 -16.4900 -16.4071 -16.4071 10.4136 10.4136 11.2919 11.2919 11.6371 11.6371 11.7602 11.7602 12.9860 12.9860 13.1153 13.1153 13.4865 13.4865 15.6211 15.6211 16.7164 16.7164 16.8531 16.8531 16.9723 16.9723 17.0151 17.0151 18.1165 18.1165 k = 0.4615 0.3060 0.0967 ( 3938 PWs) bands (ev): -68.9383 -68.9383 -40.6282 -40.6282 -40.5297 -40.5297 -37.7332 -37.7332 -33.2608 -33.2608 -33.2485 -33.2485 -17.3106 -17.3106 -17.1274 -17.1274 -16.6907 -16.6907 -16.5999 -16.5999 -16.4898 -16.4898 -16.4084 -16.4084 10.4339 10.4339 11.3047 11.3047 11.6395 11.6395 11.7737 11.7737 12.9886 12.9886 13.1192 13.1192 13.4721 13.4721 15.6174 15.6174 16.7131 16.7131 16.8711 16.8711 16.9844 16.9844 17.0335 17.0335 18.1158 18.1158 k = 0.4566 0.3171 0.1088 ( 3940 PWs) bands (ev): -68.9382 -68.9382 -40.6275 -40.6275 -40.5298 -40.5298 -37.7334 -37.7334 -33.2610 -33.2610 -33.2489 -33.2489 -17.3108 -17.3108 -17.1294 -17.1294 -16.6903 -16.6903 -16.6016 -16.6016 -16.4897 -16.4897 -16.4098 -16.4098 10.4564 10.4564 11.3194 11.3194 11.6420 11.6420 11.7887 11.7887 12.9908 12.9908 13.1247 13.1247 13.4565 13.4565 15.6136 15.6136 16.7095 16.7095 16.8909 16.8909 16.9972 16.9972 17.0545 17.0545 18.1148 18.1148 k = 0.4518 0.3281 0.1208 ( 3936 PWs) bands (ev): -68.9382 -68.9382 -40.6267 -40.6267 -40.5300 -40.5300 -37.7336 -37.7336 -33.2613 -33.2613 -33.2493 -33.2493 -17.3111 -17.3111 -17.1317 -17.1317 -16.6899 -16.6899 -16.6034 -16.6034 -16.4897 -16.4897 -16.4113 -16.4113 10.4812 10.4812 11.3361 11.3361 11.6445 11.6445 11.8052 11.8052 12.9925 12.9925 13.1321 13.1321 13.4399 13.4399 15.6096 15.6096 16.7055 16.7055 16.9125 16.9125 17.0104 17.0104 17.0777 17.0777 18.1137 18.1137 k = 0.4470 0.3392 0.1329 ( 3932 PWs) bands (ev): -68.9381 -68.9381 -40.6258 -40.6258 -40.5302 -40.5302 -37.7338 -37.7338 -33.2615 -33.2615 -33.2497 -33.2497 -17.3113 -17.3113 -17.1343 -17.1343 -16.6894 -16.6894 -16.6053 -16.6053 -16.4896 -16.4896 -16.4130 -16.4130 10.5078 10.5078 11.3547 11.3547 11.6468 11.6468 11.8230 11.8230 12.9933 12.9933 13.1414 13.1414 13.4230 13.4230 15.6056 15.6056 16.7012 16.7012 16.9355 16.9355 17.0240 17.0240 17.1029 17.1029 18.1124 18.1124 k = 0.4422 0.3503 0.1450 ( 3934 PWs) bands (ev): -68.9380 -68.9380 -40.6248 -40.6248 -40.5304 -40.5304 -37.7341 -37.7341 -33.2619 -33.2619 -33.2501 -33.2501 -17.3116 -17.3116 -17.1370 -17.1370 -16.6889 -16.6889 -16.6073 -16.6073 -16.4897 -16.4897 -16.4147 -16.4147 10.5363 10.5363 11.3755 11.3755 11.6488 11.6488 11.8422 11.8422 12.9932 12.9932 13.1525 13.1525 13.4064 13.4064 15.6017 15.6017 16.6965 16.6965 16.9598 16.9598 17.0380 17.0380 17.1298 17.1298 18.1108 18.1108 k = 0.4374 0.3614 0.1571 ( 3934 PWs) bands (ev): -68.9379 -68.9379 -40.6238 -40.6238 -40.5306 -40.5306 -37.7343 -37.7343 -33.2623 -33.2623 -33.2505 -33.2505 -17.3119 -17.3119 -17.1400 -17.1400 -16.6885 -16.6885 -16.6094 -16.6094 -16.4898 -16.4898 -16.4166 -16.4166 10.5662 10.5662 11.3985 11.3985 11.6505 11.6505 11.8627 11.8627 12.9920 12.9920 13.1648 13.1648 13.3911 13.3911 15.5981 15.5981 16.6915 16.6915 16.9852 16.9852 17.0521 17.0521 17.1581 17.1581 18.1089 18.1089 k = 0.4326 0.3725 0.1692 ( 3934 PWs) bands (ev): -68.9379 -68.9379 -40.6227 -40.6227 -40.5309 -40.5309 -37.7346 -37.7346 -33.2628 -33.2628 -33.2508 -33.2508 -17.3122 -17.3122 -17.1431 -17.1431 -16.6880 -16.6880 -16.6115 -16.6115 -16.4901 -16.4901 -16.4184 -16.4184 10.5975 10.5975 11.4236 11.4236 11.6519 11.6519 11.8843 11.8843 12.9898 12.9898 13.1770 13.1770 13.3788 13.3788 15.5947 15.5947 16.6861 16.6861 17.0112 17.0112 17.0663 17.0663 17.1875 17.1875 18.1067 18.1067 k = 0.4277 0.3836 0.1813 ( 3934 PWs) bands (ev): -68.9378 -68.9378 -40.6215 -40.6215 -40.5311 -40.5311 -37.7349 -37.7349 -33.2633 -33.2633 -33.2512 -33.2512 -17.3126 -17.3126 -17.1465 -17.1465 -16.6875 -16.6875 -16.6137 -16.6137 -16.4904 -16.4904 -16.4203 -16.4203 10.6297 10.6297 11.4510 11.4510 11.6530 11.6530 11.9072 11.9072 12.9866 12.9866 13.1867 13.1867 13.3722 13.3722 15.5916 15.5916 16.6804 16.6804 17.0377 17.0377 17.0803 17.0803 17.2177 17.2177 18.1041 18.1041 k = 0.4229 0.3946 0.1933 ( 3930 PWs) bands (ev): -68.9377 -68.9377 -40.6202 -40.6202 -40.5314 -40.5314 -37.7353 -37.7353 -33.2639 -33.2639 -33.2515 -33.2515 -17.3129 -17.3129 -17.1500 -17.1500 -16.6871 -16.6871 -16.6158 -16.6158 -16.4908 -16.4908 -16.4223 -16.4223 10.6626 10.6626 11.4804 11.4804 11.6541 11.6541 11.9313 11.9313 12.9824 12.9824 13.1910 13.1910 13.3743 13.3743 15.5891 15.5891 16.6745 16.6745 17.0642 17.0642 17.0942 17.0942 17.2484 17.2484 18.1011 18.1011 k = 0.4181 0.4057 0.2054 ( 3928 PWs) bands (ev): -68.9376 -68.9376 -40.6189 -40.6189 -40.5317 -40.5317 -37.7356 -37.7356 -33.2647 -33.2647 -33.2517 -33.2517 -17.3133 -17.3133 -17.1538 -17.1538 -16.6867 -16.6867 -16.6180 -16.6180 -16.4913 -16.4913 -16.4242 -16.4242 10.6960 10.6960 11.5113 11.5113 11.6557 11.6557 11.9564 11.9564 12.9772 12.9772 13.1879 13.1879 13.3873 13.3873 15.5870 15.5870 16.6681 16.6681 17.0902 17.0902 17.1078 17.1078 17.2792 17.2792 18.0976 18.0976 k = 0.4133 0.4168 0.2175 ( 3924 PWs) bands (ev): -68.9375 -68.9375 -40.6175 -40.6175 -40.5321 -40.5321 -37.7359 -37.7359 -33.2654 -33.2654 -33.2519 -33.2519 -17.3137 -17.3137 -17.1577 -17.1577 -16.6863 -16.6863 -16.6201 -16.6201 -16.4919 -16.4919 -16.4262 -16.4262 10.7295 10.7295 11.5424 11.5424 11.6593 11.6593 11.9826 11.9826 12.9713 12.9713 13.1780 13.1780 13.4110 13.4110 15.5855 15.5855 16.6615 16.6615 17.1142 17.1142 17.1221 17.1221 17.3098 17.3098 18.0936 18.0936 k = 0.4085 0.4279 0.2296 ( 3916 PWs) bands (ev): -68.9374 -68.9374 -40.6161 -40.6161 -40.5325 -40.5325 -37.7363 -37.7363 -33.2663 -33.2663 -33.2521 -33.2521 -17.3141 -17.3141 -17.1617 -17.1617 -16.6859 -16.6859 -16.6222 -16.6222 -16.4927 -16.4927 -16.4281 -16.4281 10.7628 10.7628 11.5703 11.5703 11.6684 11.6684 12.0099 12.0099 12.9645 12.9645 13.1630 13.1630 13.4435 13.4435 15.5847 15.5847 16.6546 16.6546 17.1302 17.1302 17.1425 17.1425 17.3396 17.3396 18.0890 18.0890 k = 0.4037 0.4390 0.2417 ( 3916 PWs) bands (ev): -68.9373 -68.9373 -40.6146 -40.6146 -40.5328 -40.5328 -37.7367 -37.7367 -33.2672 -33.2672 -33.2523 -33.2523 -17.3146 -17.3146 -17.1660 -17.1660 -16.6856 -16.6856 -16.6242 -16.6242 -16.4935 -16.4935 -16.4301 -16.4301 10.7956 10.7956 11.5897 11.5897 11.6884 11.6884 12.0382 12.0382 12.9568 12.9568 13.1452 13.1452 13.4830 13.4830 15.5846 15.5846 16.6473 16.6473 17.1415 17.1415 17.1648 17.1648 17.3683 17.3683 18.0837 18.0837 k = 0.3988 0.4500 0.2538 ( 3912 PWs) bands (ev): -68.9372 -68.9372 -40.6130 -40.6130 -40.5333 -40.5333 -37.7370 -37.7370 -33.2682 -33.2682 -33.2524 -33.2524 -17.3150 -17.3150 -17.1703 -17.1703 -16.6854 -16.6854 -16.6262 -16.6262 -16.4943 -16.4943 -16.4320 -16.4320 10.8278 10.8278 11.5981 11.5981 11.7217 11.7217 12.0675 12.0675 12.9482 12.9482 13.1259 13.1259 13.5281 13.5281 15.5852 15.5852 16.6396 16.6396 17.1511 17.1511 17.1853 17.1853 17.3952 17.3952 18.0776 18.0776 k = 0.3940 0.4611 0.2658 ( 3916 PWs) bands (ev): -68.9371 -68.9371 -40.6114 -40.6114 -40.5337 -40.5337 -37.7374 -37.7374 -33.2692 -33.2692 -33.2525 -33.2525 -17.3155 -17.3155 -17.1748 -17.1748 -16.6852 -16.6852 -16.6282 -16.6282 -16.4953 -16.4953 -16.4338 -16.4338 10.8592 10.8592 11.5990 11.5990 11.7648 11.7648 12.0979 12.0979 12.9386 12.9386 13.1062 13.1062 13.5779 13.5779 15.5865 15.5865 16.6315 16.6315 17.1592 17.1592 17.2032 17.2032 17.4199 17.4199 18.0707 18.0707 k = 0.3892 0.4722 0.2779 ( 3916 PWs) bands (ev): -68.9370 -68.9370 -40.6098 -40.6098 -40.5342 -40.5342 -37.7378 -37.7378 -33.2703 -33.2703 -33.2525 -33.2525 -17.3159 -17.3159 -17.1794 -17.1794 -16.6850 -16.6850 -16.6301 -16.6301 -16.4963 -16.4963 -16.4357 -16.4357 10.8894 10.8894 11.5960 11.5960 11.8142 11.8142 12.1294 12.1294 12.9279 12.9279 13.0869 13.0869 13.6319 13.6319 15.5887 15.5887 16.6230 16.6230 17.1656 17.1656 17.2176 17.2176 17.4418 17.4418 18.0627 18.0627 k = 0.3844 0.4833 0.2900 ( 3912 PWs) bands (ev): -68.9369 -68.9369 -40.6081 -40.6081 -40.5347 -40.5347 -37.7382 -37.7382 -33.2714 -33.2714 -33.2526 -33.2526 -17.3164 -17.3164 -17.1841 -17.1841 -16.6849 -16.6849 -16.6319 -16.6319 -16.4973 -16.4973 -16.4375 -16.4375 10.9185 10.9185 11.5908 11.5908 11.8679 11.8679 12.1621 12.1621 12.9162 12.9162 13.0684 13.0684 13.6895 13.6895 15.5917 15.5917 16.6140 16.6140 17.1702 17.1702 17.2281 17.2281 17.4602 17.4602 18.0532 18.0532 k = 0.3796 0.4944 0.3021 ( 3912 PWs) bands (ev): -68.9368 -68.9368 -40.6063 -40.6063 -40.5353 -40.5353 -37.7386 -37.7386 -33.2725 -33.2725 -33.2526 -33.2526 -17.3169 -17.3169 -17.1889 -17.1889 -16.6849 -16.6849 -16.6337 -16.6337 -16.4983 -16.4983 -16.4393 -16.4393 10.9464 10.9464 11.5842 11.5842 11.9245 11.9245 12.1963 12.1963 12.9032 12.9032 13.0513 13.0513 13.7505 13.7505 15.5956 15.5956 16.6043 16.6043 17.1728 17.1728 17.2341 17.2341 17.4746 17.4746 18.0399 18.0399 k = 0.3748 0.5055 0.3142 ( 3910 PWs) bands (ev): -68.9367 -68.9367 -40.6045 -40.6045 -40.5359 -40.5359 -37.7390 -37.7390 -33.2737 -33.2737 -33.2526 -33.2526 -17.3173 -17.3173 -17.1937 -17.1937 -16.6849 -16.6849 -16.6354 -16.6354 -16.4993 -16.4993 -16.4410 -16.4410 10.9729 10.9729 11.5767 11.5767 11.9832 11.9832 12.2323 12.2323 12.8893 12.8893 13.0357 13.0357 13.8143 13.8143 15.6004 15.6004 16.5938 16.5938 17.1732 17.1732 17.2352 17.2352 17.4845 17.4845 18.0156 18.0156 k = 0.3699 0.5165 0.3263 ( 3920 PWs) bands (ev): -68.9366 -68.9366 -40.6027 -40.6027 -40.5365 -40.5365 -37.7395 -37.7395 -33.2748 -33.2748 -33.2526 -33.2526 -17.3177 -17.3177 -17.1987 -17.1987 -16.6849 -16.6849 -16.6371 -16.6371 -16.5003 -16.5003 -16.4427 -16.4427 10.9982 10.9982 11.5686 11.5686 12.0427 12.0427 12.2706 12.2706 12.8744 12.8744 13.0218 13.0218 13.8808 13.8808 15.6062 15.6062 16.5824 16.5824 17.1712 17.1712 17.2312 17.2312 17.4894 17.4894 17.9874 17.9874 k = 0.3651 0.5276 0.3383 ( 3910 PWs) bands (ev): -68.9364 -68.9364 -40.6009 -40.6009 -40.5371 -40.5371 -37.7399 -37.7399 -33.2760 -33.2760 -33.2525 -33.2525 -17.3181 -17.3181 -17.2037 -17.2037 -16.6849 -16.6849 -16.6388 -16.6388 -16.5012 -16.5012 -16.4445 -16.4445 11.0221 11.0221 11.5602 11.5602 12.1016 12.1016 12.3120 12.3120 12.8592 12.8592 13.0095 13.0095 13.9497 13.9497 15.6129 15.6129 16.5698 16.5698 17.1667 17.1667 17.2223 17.2223 17.4892 17.4892 17.9623 17.9623 k = 0.3603 0.5387 0.3504 ( 3914 PWs) bands (ev): -68.9363 -68.9363 -40.5990 -40.5990 -40.5378 -40.5378 -37.7403 -37.7403 -33.2772 -33.2772 -33.2525 -33.2525 -17.3185 -17.3185 -17.2087 -17.2087 -16.6850 -16.6850 -16.6404 -16.6404 -16.5021 -16.5021 -16.4462 -16.4462 11.0448 11.0448 11.5515 11.5515 12.1582 12.1582 12.3574 12.3574 12.8440 12.8440 12.9989 12.9989 14.0205 14.0205 15.6205 15.6205 16.5558 16.5558 17.1592 17.1592 17.2093 17.2093 17.4839 17.4839 17.9409 17.9409 k = 0.3555 0.5498 0.3625 ( 3916 PWs) bands (ev): -68.9362 -68.9362 -40.5971 -40.5971 -40.5386 -40.5386 -37.7407 -37.7407 -33.2784 -33.2784 -33.2525 -33.2525 -17.3188 -17.3188 -17.2137 -17.2137 -16.6851 -16.6851 -16.6421 -16.6421 -16.5028 -16.5028 -16.4478 -16.4478 11.0662 11.0662 11.5427 11.5427 12.2110 12.2110 12.4073 12.4073 12.8299 12.8299 12.9898 12.9898 14.0930 14.0930 15.6293 15.6293 16.5400 16.5400 17.1484 17.1484 17.1933 17.1933 17.4738 17.4738 17.9230 17.9230 k = 0.3507 0.5609 0.3746 ( 3918 PWs) bands (ev): -68.9361 -68.9361 -40.5952 -40.5952 -40.5393 -40.5393 -37.7411 -37.7411 -33.2795 -33.2795 -33.2524 -33.2524 -17.3191 -17.3191 -17.2188 -17.2188 -16.6852 -16.6852 -16.6437 -16.6437 -16.5034 -16.5034 -16.4495 -16.4495 11.0864 11.0864 11.5340 11.5340 12.2589 12.2589 12.4611 12.4611 12.8180 12.8180 12.9821 12.9821 14.1668 14.1668 15.6391 15.6391 16.5219 16.5219 17.1333 17.1333 17.1761 17.1761 17.4593 17.4593 17.9077 17.9077 k = 0.3459 0.5719 0.3867 ( 3912 PWs) bands (ev): -68.9360 -68.9360 -40.5933 -40.5933 -40.5401 -40.5401 -37.7415 -37.7415 -33.2807 -33.2807 -33.2523 -33.2523 -17.3193 -17.3193 -17.2239 -17.2239 -16.6852 -16.6852 -16.6454 -16.6454 -16.5039 -16.5039 -16.4512 -16.4512 11.1055 11.1055 11.5255 11.5255 12.3019 12.3019 12.5162 12.5162 12.8106 12.8106 12.9758 12.9758 14.2416 14.2416 15.6502 15.6502 16.5013 16.5013 17.1133 17.1133 17.1596 17.1596 17.4409 17.4409 17.8945 17.8945 k = 0.3410 0.5830 0.3988 ( 3908 PWs) bands (ev): -68.9359 -68.9359 -40.5913 -40.5913 -40.5410 -40.5410 -37.7418 -37.7418 -33.2818 -33.2818 -33.2523 -33.2523 -17.3195 -17.3195 -17.2289 -17.2289 -16.6852 -16.6852 -16.6471 -16.6471 -16.5043 -16.5043 -16.4529 -16.4529 11.1235 11.1235 11.5173 11.5173 12.3405 12.3405 12.5673 12.5673 12.8120 12.8120 12.9711 12.9711 14.3171 14.3171 15.6624 15.6624 16.4774 16.4774 17.0888 17.0888 17.1444 17.1444 17.4192 17.4192 17.8824 17.8824 k = 0.3362 0.5941 0.4108 ( 3916 PWs) bands (ev): -68.9358 -68.9358 -40.5894 -40.5894 -40.5418 -40.5418 -37.7422 -37.7422 -33.2829 -33.2829 -33.2522 -33.2522 -17.3196 -17.3196 -17.2339 -17.2339 -16.6852 -16.6852 -16.6489 -16.6489 -16.5045 -16.5045 -16.4546 -16.4546 11.1404 11.1404 11.5095 11.5095 12.3755 12.3755 12.6066 12.6066 12.8282 12.8282 12.9684 12.9684 14.3928 14.3928 15.6761 15.6761 16.4499 16.4499 17.0613 17.0613 17.1307 17.1307 17.3950 17.3950 17.8708 17.8708 k = 0.3314 0.6052 0.4229 ( 3916 PWs) bands (ev): -68.9357 -68.9357 -40.5874 -40.5874 -40.5428 -40.5428 -37.7426 -37.7426 -33.2840 -33.2840 -33.2522 -33.2522 -17.3196 -17.3196 -17.2389 -17.2389 -16.6851 -16.6851 -16.6506 -16.6506 -16.5046 -16.5046 -16.4563 -16.4563 11.1563 11.1563 11.5022 11.5022 12.4075 12.4075 12.6280 12.6280 12.8620 12.8620 12.9697 12.9697 14.4684 14.4684 15.6912 15.6912 16.4181 16.4181 17.0319 17.0319 17.1182 17.1182 17.3687 17.3687 17.8593 17.8593 k = 0.3266 0.6163 0.4350 ( 3928 PWs) bands (ev): -68.9356 -68.9356 -40.5854 -40.5854 -40.5437 -40.5437 -37.7430 -37.7430 -33.2851 -33.2851 -33.2521 -33.2521 -17.3195 -17.3195 -17.2438 -17.2438 -16.6850 -16.6850 -16.6525 -16.6525 -16.5045 -16.5045 -16.4581 -16.4581 11.1713 11.1713 11.4955 11.4955 12.4369 12.4369 12.6341 12.6341 12.9024 12.9024 12.9828 12.9828 14.5435 14.5435 15.7079 15.7079 16.3817 16.3817 17.0016 17.0016 17.1073 17.1073 17.3410 17.3410 17.8473 17.8473 k = 0.3218 0.6274 0.4471 ( 3928 PWs) bands (ev): -68.9356 -68.9356 -40.5835 -40.5835 -40.5447 -40.5447 -37.7433 -37.7433 -33.2861 -33.2861 -33.2520 -33.2520 -17.3193 -17.3193 -17.2486 -17.2486 -16.6847 -16.6847 -16.6544 -16.6544 -16.5042 -16.5042 -16.4598 -16.4598 11.1854 11.1854 11.4895 11.4895 12.4640 12.4640 12.6311 12.6311 12.9260 12.9260 13.0238 13.0238 14.6175 14.6175 15.7263 15.7263 16.3402 16.3402 16.9710 16.9710 17.0983 17.0983 17.3123 17.3123 17.8346 17.8346 k = 0.3170 0.6384 0.4592 ( 3932 PWs) bands (ev): -68.9355 -68.9355 -40.5815 -40.5815 -40.5458 -40.5458 -37.7437 -37.7437 -33.2870 -33.2870 -33.2520 -33.2520 -17.3190 -17.3190 -17.2534 -17.2534 -16.6844 -16.6844 -16.6563 -16.6563 -16.5038 -16.5038 -16.4616 -16.4616 11.1986 11.1986 11.4842 11.4842 12.4888 12.4888 12.6239 12.6239 12.9330 12.9330 13.0867 13.0867 14.6902 14.6902 15.7467 15.7467 16.2936 16.2936 16.9405 16.9405 17.0917 17.0917 17.2832 17.2832 17.8200 17.8200 k = 0.3121 0.6495 0.4713 ( 3934 PWs) bands (ev): -68.9354 -68.9354 -40.5795 -40.5795 -40.5469 -40.5469 -37.7440 -37.7440 -33.2880 -33.2880 -33.2519 -33.2519 -17.3186 -17.3186 -17.2581 -17.2581 -16.6840 -16.6840 -16.6583 -16.6583 -16.5033 -16.5033 -16.4633 -16.4633 11.2109 11.2109 11.4797 11.4797 12.5115 12.5115 12.6147 12.6147 12.9351 12.9351 13.1571 13.1571 14.7611 14.7611 15.7691 15.7691 16.2419 16.2419 16.9105 16.9105 17.0878 17.0878 17.2539 17.2539 17.8007 17.8007 k = 0.3073 0.6606 0.4833 ( 3922 PWs) bands (ev): -68.9353 -68.9353 -40.5776 -40.5776 -40.5480 -40.5480 -37.7442 -37.7442 -33.2888 -33.2888 -33.2518 -33.2518 -17.3180 -17.3180 -17.2626 -17.2626 -16.6836 -16.6836 -16.6602 -16.6602 -16.5026 -16.5026 -16.4650 -16.4650 11.2224 11.2224 11.4761 11.4761 12.5318 12.5318 12.6049 12.6049 12.9358 12.9358 13.2291 13.2291 14.8297 14.8297 15.7938 15.7938 16.1855 16.1855 16.8810 16.8810 17.0869 17.0869 17.2248 17.2248 17.7774 17.7774 k = 0.3025 0.6717 0.4954 ( 3926 PWs) bands (ev): -68.9353 -68.9353 -40.5757 -40.5757 -40.5492 -40.5492 -37.7445 -37.7445 -33.2896 -33.2896 -33.2518 -33.2518 -17.3174 -17.3174 -17.2671 -17.2671 -16.6830 -16.6830 -16.6623 -16.6623 -16.5018 -16.5018 -16.4668 -16.4668 11.2331 11.2331 11.4734 11.4734 12.5499 12.5499 12.5952 12.5952 12.9362 12.9362 13.3003 13.3003 14.8956 14.8956 15.8208 15.8208 16.1247 16.1247 16.8522 16.8522 17.0892 17.0892 17.1962 17.1962 17.7527 17.7527 k = 0.2977 0.6828 0.5075 ( 3926 PWs) bands (ev): -68.9352 -68.9352 -40.5737 -40.5737 -40.5504 -40.5504 -37.7447 -37.7447 -33.2903 -33.2903 -33.2517 -33.2517 -17.3165 -17.3165 -17.2713 -17.2713 -16.6824 -16.6824 -16.6643 -16.6643 -16.5010 -16.5010 -16.4684 -16.4684 11.2431 11.2431 11.4717 11.4717 12.5656 12.5656 12.5859 12.5859 12.9366 12.9366 13.3691 13.3691 14.9584 14.9584 15.8502 15.8502 16.0604 16.0604 16.8240 16.8240 17.0947 17.0947 17.1685 17.1685 17.7274 17.7274 k = 0.2929 0.6938 0.5196 ( 3924 PWs) bands (ev): -68.9351 -68.9351 -40.5718 -40.5718 -40.5516 -40.5516 -37.7450 -37.7450 -33.2910 -33.2910 -33.2517 -33.2517 -17.3156 -17.3156 -17.2755 -17.2755 -16.6817 -16.6817 -16.6663 -16.6663 -16.5001 -16.5001 -16.4701 -16.4701 11.2523 11.2523 11.4710 11.4710 12.5774 12.5774 12.5788 12.5788 12.9371 12.9371 13.4343 13.4343 15.0178 15.0178 15.8823 15.8823 15.9934 15.9934 16.7963 16.7963 17.1029 17.1029 17.1424 17.1424 17.7015 17.7015 k = 0.2881 0.7049 0.5317 ( 3928 PWs) bands (ev): -68.9351 -68.9351 -40.5700 -40.5700 -40.5529 -40.5529 -37.7452 -37.7452 -33.2916 -33.2916 -33.2516 -33.2516 -17.3146 -17.3146 -17.2794 -17.2794 -16.6809 -16.6809 -16.6682 -16.6682 -16.4991 -16.4991 -16.4716 -16.4716 11.2607 11.2607 11.4714 11.4714 12.5698 12.5698 12.5893 12.5893 12.9377 12.9377 13.4949 13.4949 15.0734 15.0734 15.9151 15.9151 15.9264 15.9264 16.7688 16.7688 17.1063 17.1063 17.1256 17.1256 17.6754 17.6754 k = 0.2832 0.7160 0.5438 ( 3936 PWs) bands (ev): -68.9350 -68.9350 -40.5681 -40.5681 -40.5542 -40.5542 -37.7454 -37.7454 -33.2922 -33.2922 -33.2516 -33.2516 -17.3134 -17.3134 -17.2832 -17.2832 -16.6803 -16.6803 -16.6699 -16.6699 -16.4982 -16.4982 -16.4731 -16.4731 11.2684 11.2684 11.4729 11.4729 12.5631 12.5631 12.5972 12.5972 12.9383 12.9383 13.5499 13.5499 15.1251 15.1251 15.8549 15.8549 15.9547 15.9547 16.7415 16.7415 17.0869 17.0869 17.1365 17.1365 17.6490 17.6490 k = 0.2784 0.7271 0.5558 ( 3932 PWs) bands (ev): -68.9350 -68.9350 -40.5663 -40.5663 -40.5556 -40.5556 -37.7455 -37.7455 -33.2927 -33.2927 -33.2515 -33.2515 -17.3121 -17.3121 -17.2867 -17.2867 -16.6798 -16.6798 -16.6713 -16.6713 -16.4973 -16.4973 -16.4744 -16.4744 11.2753 11.2753 11.4756 11.4756 12.5576 12.5576 12.6023 12.6023 12.9389 12.9389 13.5984 13.5984 15.1724 15.1724 15.7863 15.7863 15.9944 15.9944 16.7138 16.7138 17.0639 17.0639 17.1557 17.1557 17.6226 17.6226 k = 0.2736 0.7382 0.5679 ( 3918 PWs) bands (ev): -68.9350 -68.9350 -40.5645 -40.5645 -40.5570 -40.5570 -37.7456 -37.7456 -33.2930 -33.2930 -33.2515 -33.2515 -17.3109 -17.3109 -17.2899 -17.2899 -16.6799 -16.6799 -16.6722 -16.6722 -16.4966 -16.4966 -16.4754 -16.4754 11.2815 11.2815 11.4794 11.4794 12.5531 12.5531 12.6044 12.6044 12.9395 12.9395 13.6394 13.6394 15.2154 15.2154 15.7197 15.7197 16.0364 16.0364 16.6855 16.6855 17.0418 17.0418 17.1792 17.1792 17.5961 17.5961 k = 0.2736 0.7382 0.5679 ( 3918 PWs) bands (ev): -68.9350 -68.9350 -40.5645 -40.5645 -40.5570 -40.5570 -37.7456 -37.7456 -33.2930 -33.2930 -33.2515 -33.2515 -17.3109 -17.3109 -17.2899 -17.2899 -16.6799 -16.6799 -16.6722 -16.6722 -16.4966 -16.4966 -16.4754 -16.4754 11.2815 11.2815 11.4794 11.4794 12.5531 12.5531 12.6044 12.6044 12.9395 12.9395 13.6394 13.6394 15.2154 15.2154 15.7197 15.7197 16.0364 16.0364 16.6855 16.6855 17.0418 17.0418 17.1792 17.1792 17.5961 17.5961 k = 0.2575 0.7350 0.5714 ( 3913 PWs) bands (ev): -68.9349 -68.9349 -40.5640 -40.5640 -40.5574 -40.5574 -37.7456 -37.7456 -33.2931 -33.2931 -33.2515 -33.2515 -17.3105 -17.3105 -17.2907 -17.2907 -16.6801 -16.6801 -16.6722 -16.6722 -16.4964 -16.4964 -16.4757 -16.4757 11.2830 11.2830 11.4809 11.4809 12.5519 12.5519 12.6052 12.6052 12.9399 12.9399 13.6470 13.6470 15.2279 15.2279 15.7039 15.7039 16.0459 16.0459 16.6804 16.6804 17.0343 17.0343 17.1857 17.1857 17.5898 17.5898 k = 0.2414 0.7318 0.5749 ( 3912 PWs) bands (ev): -68.9349 -68.9349 -40.5636 -40.5636 -40.5577 -40.5577 -37.7457 -37.7457 -33.2932 -33.2932 -33.2515 -33.2515 -17.3103 -17.3103 -17.2914 -17.2914 -16.6804 -16.6804 -16.6721 -16.6721 -16.4962 -16.4962 -16.4759 -16.4759 11.2843 11.2843 11.4831 11.4831 12.5505 12.5505 12.6074 12.6074 12.9408 12.9408 13.6485 13.6485 15.2414 15.2414 15.6942 15.6942 16.0488 16.0488 16.6822 16.6822 17.0240 17.0240 17.1903 17.1903 17.5862 17.5862 k = 0.2253 0.7286 0.5784 ( 3913 PWs) bands (ev): -68.9349 -68.9349 -40.5633 -40.5633 -40.5579 -40.5579 -37.7457 -37.7457 -33.2933 -33.2933 -33.2515 -33.2515 -17.3100 -17.3100 -17.2921 -17.2921 -16.6808 -16.6808 -16.6720 -16.6720 -16.4959 -16.4959 -16.4762 -16.4762 11.2852 11.2852 11.4858 11.4858 12.5491 12.5491 12.6110 12.6110 12.9423 12.9423 13.6442 13.6442 15.2558 15.2558 15.6904 15.6904 16.0452 16.0452 16.6912 16.6912 17.0114 17.0114 17.1928 17.1928 17.5853 17.5853 k = 0.2092 0.7254 0.5819 ( 3915 PWs) bands (ev): -68.9349 -68.9349 -40.5632 -40.5632 -40.5579 -40.5579 -37.7457 -37.7457 -33.2934 -33.2934 -33.2515 -33.2515 -17.3098 -17.3098 -17.2927 -17.2927 -16.6812 -16.6812 -16.6717 -16.6717 -16.4957 -16.4957 -16.4765 -16.4765 11.2858 11.2858 11.4889 11.4889 12.5476 12.5476 12.6159 12.6159 12.9443 12.9443 13.6347 13.6347 15.2706 15.2706 15.6925 15.6925 16.0354 16.0354 16.7068 16.7068 16.9969 16.9969 17.1933 17.1933 17.5868 17.5868 k = 0.1931 0.7222 0.5853 ( 3915 PWs) bands (ev): -68.9349 -68.9349 -40.5631 -40.5631 -40.5579 -40.5579 -37.7458 -37.7458 -33.2935 -33.2935 -33.2514 -33.2514 -17.3097 -17.3097 -17.2932 -17.2932 -16.6817 -16.6817 -16.6715 -16.6715 -16.4954 -16.4954 -16.4767 -16.4767 11.2861 11.2861 11.4924 11.4924 12.5462 12.5462 12.6220 12.6220 12.9467 12.9467 13.6204 13.6204 15.2855 15.2855 15.6999 15.6999 16.0204 16.0204 16.7279 16.7279 16.9810 16.9810 17.1922 17.1922 17.5903 17.5903 k = 0.1770 0.7190 0.5888 ( 3911 PWs) bands (ev): -68.9349 -68.9349 -40.5632 -40.5632 -40.5578 -40.5578 -37.7458 -37.7458 -33.2935 -33.2935 -33.2514 -33.2514 -17.3095 -17.3095 -17.2937 -17.2937 -16.6822 -16.6822 -16.6713 -16.6713 -16.4951 -16.4951 -16.4770 -16.4770 11.2862 11.2862 11.4963 11.4963 12.5447 12.5447 12.6291 12.6291 12.9496 12.9496 13.6023 13.6023 15.3003 15.3003 15.7119 15.7119 16.0015 16.0015 16.7529 16.7529 16.9644 16.9644 17.1901 17.1901 17.5955 17.5955 k = 0.1609 0.7158 0.5923 ( 3910 PWs) bands (ev): -68.9349 -68.9349 -40.5633 -40.5633 -40.5576 -40.5576 -37.7458 -37.7458 -33.2936 -33.2936 -33.2514 -33.2514 -17.3094 -17.3094 -17.2941 -17.2941 -16.6826 -16.6826 -16.6710 -16.6710 -16.4948 -16.4948 -16.4773 -16.4773 11.2860 11.2860 11.5003 11.5003 12.5433 12.5433 12.6372 12.6372 12.9528 12.9528 13.5811 13.5811 15.3149 15.3149 15.7277 15.7277 15.9798 15.9798 16.7800 16.7800 16.9475 16.9475 17.1879 17.1879 17.6019 17.6019 k = 0.1449 0.7126 0.5958 ( 3911 PWs) bands (ev): -68.9349 -68.9349 -40.5634 -40.5634 -40.5574 -40.5574 -37.7458 -37.7458 -33.2937 -33.2937 -33.2514 -33.2514 -17.3093 -17.3093 -17.2945 -17.2945 -16.6831 -16.6831 -16.6708 -16.6708 -16.4944 -16.4944 -16.4776 -16.4776 11.2856 11.2856 11.5043 11.5043 12.5420 12.5420 12.6460 12.6460 12.9565 12.9565 13.5576 13.5576 15.3291 15.3291 15.7461 15.7461 15.9567 15.9567 16.8069 16.8069 16.9311 16.9311 17.1868 17.1868 17.6090 17.6090 k = 0.1288 0.7094 0.5993 ( 3915 PWs) bands (ev): -68.9349 -68.9349 -40.5636 -40.5636 -40.5572 -40.5572 -37.7459 -37.7459 -33.2937 -33.2937 -33.2514 -33.2514 -17.3092 -17.3092 -17.2948 -17.2948 -16.6835 -16.6835 -16.6706 -16.6706 -16.4941 -16.4941 -16.4779 -16.4779 11.2851 11.2851 11.5083 11.5083 12.5409 12.5409 12.6552 12.6552 12.9604 12.9604 13.5329 13.5329 15.3429 15.3429 15.7658 15.7658 15.9334 15.9334 16.8315 16.8315 16.9157 16.9157 17.1884 17.1884 17.6161 17.6161 k = 0.1127 0.7062 0.6028 ( 3917 PWs) bands (ev): -68.9349 -68.9349 -40.5638 -40.5638 -40.5570 -40.5570 -37.7459 -37.7459 -33.2938 -33.2938 -33.2514 -33.2514 -17.3092 -17.3092 -17.2951 -17.2951 -16.6838 -16.6838 -16.6704 -16.6704 -16.4938 -16.4938 -16.4782 -16.4782 11.2845 11.2845 11.5122 11.5122 12.5398 12.5398 12.6647 12.6647 12.9646 12.9646 13.5077 13.5077 15.3562 15.3562 15.7854 15.7854 15.9114 15.9114 16.8512 16.8512 16.9025 16.9025 17.1938 17.1938 17.6173 17.6173 k = 0.0966 0.7030 0.6063 ( 3917 PWs) bands (ev): -68.9349 -68.9349 -40.5639 -40.5639 -40.5568 -40.5568 -37.7459 -37.7459 -33.2938 -33.2938 -33.2514 -33.2514 -17.3091 -17.3091 -17.2953 -17.2953 -16.6841 -16.6841 -16.6703 -16.6703 -16.4934 -16.4934 -16.4785 -16.4785 11.2839 11.2839 11.5157 11.5157 12.5388 12.5388 12.6741 12.6741 12.9689 12.9689 13.4830 13.4830 15.3688 15.3688 15.8023 15.8023 15.8927 15.8927 16.8623 16.8623 16.8943 16.8943 17.2042 17.2042 17.6042 17.6042 k = 0.0805 0.6998 0.6097 ( 3918 PWs) bands (ev): -68.9349 -68.9349 -40.5641 -40.5641 -40.5566 -40.5566 -37.7459 -37.7459 -33.2938 -33.2938 -33.2514 -33.2514 -17.3091 -17.3091 -17.2955 -17.2955 -16.6844 -16.6844 -16.6701 -16.6701 -16.4931 -16.4931 -16.4788 -16.4788 11.2833 11.2833 11.5189 11.5189 12.5380 12.5380 12.6830 12.6830 12.9732 12.9732 13.4599 13.4599 15.3806 15.3806 15.8126 15.8126 15.8813 15.8813 16.8616 16.8616 16.8941 16.8941 17.2193 17.2193 17.5884 17.5884 k = 0.0644 0.6966 0.6132 ( 3918 PWs) bands (ev): -68.9349 -68.9349 -40.5642 -40.5642 -40.5564 -40.5564 -37.7459 -37.7459 -33.2939 -33.2939 -33.2514 -33.2514 -17.3090 -17.3090 -17.2957 -17.2957 -16.6846 -16.6846 -16.6700 -16.6700 -16.4929 -16.4929 -16.4790 -16.4790 11.2828 11.2828 11.5217 11.5217 12.5373 12.5373 12.6910 12.6910 12.9774 12.9774 13.4391 13.4391 15.3911 15.3911 15.8123 15.8123 15.8806 15.8806 16.8550 16.8550 16.8968 16.8968 17.2380 17.2380 17.5717 17.5717 k = 0.0483 0.6934 0.6167 ( 3921 PWs) bands (ev): -68.9349 -68.9349 -40.5643 -40.5643 -40.5563 -40.5563 -37.7459 -37.7459 -33.2939 -33.2939 -33.2514 -33.2514 -17.3090 -17.3090 -17.2958 -17.2958 -16.6848 -16.6848 -16.6700 -16.6700 -16.4926 -16.4926 -16.4792 -16.4792 11.2823 11.2823 11.5239 11.5239 12.5367 12.5367 12.6977 12.6977 12.9811 12.9811 13.4217 13.4217 15.4001 15.4001 15.8048 15.8048 15.8874 15.8874 16.8482 16.8482 16.8983 16.8983 17.2581 17.2581 17.5552 17.5552 k = 0.0322 0.6902 0.6202 ( 3923 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5562 -40.5562 -37.7460 -37.7460 -33.2939 -33.2939 -33.2514 -33.2514 -17.3090 -17.3090 -17.2959 -17.2959 -16.6849 -16.6849 -16.6699 -16.6699 -16.4925 -16.4925 -16.4793 -16.4793 11.2820 11.2820 11.5255 11.5255 12.5363 12.5363 12.7027 12.7027 12.9840 12.9840 13.4085 13.4085 15.4070 15.4070 15.7965 15.7965 15.8951 15.8951 16.8429 16.8429 16.8985 16.8985 17.2764 17.2764 17.5405 17.5405 k = 0.0161 0.6870 0.6237 ( 3929 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5562 -40.5562 -37.7460 -37.7460 -33.2940 -33.2940 -33.2515 -33.2515 -17.3090 -17.3090 -17.2960 -17.2960 -16.6850 -16.6850 -16.6699 -16.6699 -16.4924 -16.4924 -16.4794 -16.4794 11.2818 11.2818 11.5264 11.5264 12.5361 12.5361 12.7059 12.7059 12.9859 12.9859 13.4002 13.4002 15.4113 15.4113 15.7906 15.7906 15.9006 15.9006 16.8395 16.8395 16.8981 16.8981 17.2895 17.2895 17.5300 17.5300 k = 0.0000 0.6838 0.6272 ( 3930 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5561 -40.5561 -37.7460 -37.7460 -33.2940 -33.2940 -33.2515 -33.2515 -17.3090 -17.3090 -17.2960 -17.2960 -16.6850 -16.6850 -16.6698 -16.6698 -16.4923 -16.4923 -16.4795 -16.4795 11.2817 11.2817 11.5268 11.5268 12.5360 12.5360 12.7070 12.7070 12.9866 12.9866 13.3974 13.3974 15.4128 15.4128 15.7885 15.7885 15.9026 15.9026 16.8384 16.8384 16.8980 16.8980 17.2944 17.2944 17.5261 17.5261 k = 0.0000 0.6838 0.6272 ( 3930 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5561 -40.5561 -37.7460 -37.7460 -33.2940 -33.2940 -33.2515 -33.2515 -17.3090 -17.3090 -17.2960 -17.2960 -16.6850 -16.6850 -16.6698 -16.6698 -16.4923 -16.4923 -16.4795 -16.4795 11.2817 11.2817 11.5268 11.5268 12.5360 12.5360 12.7070 12.7070 12.9866 12.9866 13.3974 13.3974 15.4128 15.4128 15.7885 15.7885 15.9026 15.9026 16.8384 16.8384 16.8980 16.8980 17.2944 17.2944 17.5261 17.5261 k = 0.0049 0.6726 0.6395 ( 3936 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5561 -40.5561 -37.7460 -37.7460 -33.2940 -33.2940 -33.2515 -33.2515 -17.3090 -17.3090 -17.2960 -17.2960 -16.6856 -16.6856 -16.6694 -16.6694 -16.4928 -16.4928 -16.4792 -16.4792 11.2835 11.2835 11.5275 11.5275 12.5334 12.5334 12.7061 12.7061 12.9851 12.9851 13.4016 13.4016 15.4122 15.4122 15.7879 15.7879 15.9020 15.9020 16.8387 16.8387 16.8947 16.8947 17.2902 17.2902 17.5271 17.5271 k = 0.0098 0.6613 0.6518 ( 3932 PWs) bands (ev): -68.9349 -68.9349 -40.5644 -40.5644 -40.5561 -40.5561 -37.7460 -37.7460 -33.2940 -33.2940 -33.2516 -33.2516 -17.3091 -17.3091 -17.2959 -17.2959 -16.6870 -16.6870 -16.6682 -16.6682 -16.4941 -16.4941 -16.4786 -16.4786 11.2889 11.2889 11.5296 11.5296 12.5257 12.5257 12.7035 12.7035 12.9807 12.9807 13.4137 13.4137 15.4102 15.4102 15.7862 15.7862 15.9004 15.9004 16.8392 16.8392 16.8850 16.8850 17.2790 17.2790 17.5300 17.5300 k = 0.0147 0.6500 0.6641 ( 3934 PWs) bands (ev): -68.9348 -68.9348 -40.5643 -40.5643 -40.5560 -40.5560 -37.7461 -37.7461 -33.2940 -33.2940 -33.2518 -33.2518 -17.3093 -17.3093 -17.2958 -17.2958 -16.6889 -16.6889 -16.6665 -16.6665 -16.4960 -16.4960 -16.4778 -16.4778 11.2978 11.2978 11.5331 11.5331 12.5130 12.5130 12.6994 12.6994 12.9738 12.9738 13.4331 13.4331 15.4068 15.4068 15.7832 15.7832 15.8978 15.8978 16.8387 16.8387 16.8706 16.8706 17.2633 17.2633 17.5348 17.5348 k = 0.0196 0.6387 0.6764 ( 3932 PWs) bands (ev): -68.9348 -68.9348 -40.5641 -40.5641 -40.5558 -40.5558 -37.7462 -37.7462 -33.2940 -33.2940 -33.2520 -33.2520 -17.3096 -17.3096 -17.2956 -17.2956 -16.6913 -16.6913 -16.6646 -16.6646 -16.4984 -16.4984 -16.4770 -16.4770 11.3101 11.3101 11.5380 11.5380 12.4957 12.4957 12.6940 12.6940 12.9647 12.9647 13.4591 13.4591 15.4023 15.4023 15.7790 15.7790 15.8941 15.8941 16.8303 16.8303 16.8584 16.8584 17.2459 17.2459 17.5417 17.5417 k = 0.0245 0.6275 0.6887 ( 3932 PWs) bands (ev): -68.9348 -68.9348 -40.5639 -40.5639 -40.5557 -40.5557 -37.7463 -37.7463 -33.2940 -33.2940 -33.2523 -33.2523 -17.3099 -17.3099 -17.2954 -17.2954 -16.6939 -16.6939 -16.6626 -16.6626 -16.5011 -16.5011 -16.4762 -16.4762 11.3259 11.3259 11.5443 11.5443 12.4741 12.4741 12.6874 12.6874 12.9539 12.9539 13.4907 13.4907 15.3966 15.3966 15.7733 15.7733 15.8894 15.8894 16.8061 16.8061 16.8567 16.8567 17.2293 17.2293 17.5505 17.5505 k = 0.0294 0.6162 0.7009 ( 3928 PWs) bands (ev): -68.9348 -68.9348 -40.5637 -40.5637 -40.5555 -40.5555 -37.7465 -37.7465 -33.2940 -33.2940 -33.2527 -33.2527 -17.3103 -17.3103 -17.2952 -17.2952 -16.6967 -16.6967 -16.6605 -16.6605 -16.5042 -16.5042 -16.4756 -16.4756 11.3450 11.3450 11.5521 11.5521 12.4488 12.4488 12.6798 12.6798 12.9417 12.9417 13.5271 13.5271 15.3898 15.3898 15.7662 15.7662 15.8838 15.8838 16.7725 16.7725 16.8598 16.8598 17.2148 17.2148 17.5614 17.5614 k = 0.0343 0.6049 0.7132 ( 3924 PWs) bands (ev): -68.9347 -68.9347 -40.5634 -40.5634 -40.5552 -40.5552 -37.7466 -37.7466 -33.2940 -33.2940 -33.2532 -33.2532 -17.3107 -17.3107 -17.2950 -17.2950 -16.6995 -16.6995 -16.6584 -16.6584 -16.5075 -16.5075 -16.4751 -16.4751 11.3672 11.3672 11.5615 11.5615 12.4203 12.4203 12.6713 12.6713 12.9283 12.9283 13.5676 13.5676 15.3820 15.3820 15.7574 15.7574 15.8774 15.8774 16.7330 16.7330 16.8644 16.8644 17.2036 17.2036 17.5744 17.5744 k = 0.0392 0.5936 0.7255 ( 3924 PWs) bands (ev): -68.9347 -68.9347 -40.5631 -40.5631 -40.5550 -40.5550 -37.7468 -37.7468 -33.2940 -33.2940 -33.2537 -33.2537 -17.3112 -17.3112 -17.2947 -17.2947 -16.7025 -16.7025 -16.6563 -16.6563 -16.5111 -16.5111 -16.4747 -16.4747 11.3922 11.3922 11.5725 11.5725 12.3891 12.3891 12.6619 12.6619 12.9138 12.9138 13.6116 13.6116 15.3733 15.3733 15.7470 15.7470 15.8702 15.8702 16.6890 16.6890 16.8700 16.8700 17.1964 17.1964 17.5896 17.5896 k = 0.0441 0.5823 0.7378 ( 3920 PWs) bands (ev): -68.9346 -68.9346 -40.5628 -40.5628 -40.5547 -40.5547 -37.7470 -37.7470 -33.2941 -33.2941 -33.2542 -33.2542 -17.3117 -17.3117 -17.2945 -17.2945 -16.7055 -16.7055 -16.6543 -16.6543 -16.5149 -16.5149 -16.4746 -16.4746 11.4197 11.4197 11.5855 11.5855 12.3558 12.3558 12.6516 12.6516 12.8983 12.8983 13.6586 13.6586 15.3639 15.3639 15.7349 15.7349 15.8622 15.8622 16.6414 16.6414 16.8761 16.8761 17.1935 17.1935 17.6070 17.6070 k = 0.0490 0.5711 0.7501 ( 3922 PWs) bands (ev): -68.9345 -68.9345 -40.5624 -40.5624 -40.5543 -40.5543 -37.7473 -37.7473 -33.2941 -33.2941 -33.2548 -33.2548 -17.3123 -17.3123 -17.2943 -17.2943 -16.7085 -16.7085 -16.6523 -16.6523 -16.5189 -16.5189 -16.4746 -16.4746 11.4491 11.4491 11.6008 11.6008 12.3209 12.3209 12.6403 12.6403 12.8820 12.8820 13.7083 13.7083 15.3539 15.3539 15.7211 15.7211 15.8537 15.8537 16.5907 16.5907 16.8827 16.8827 17.1951 17.1951 17.6266 17.6266 k = 0.0539 0.5598 0.7624 ( 3920 PWs) bands (ev): -68.9345 -68.9345 -40.5620 -40.5620 -40.5540 -40.5540 -37.7475 -37.7475 -33.2942 -33.2942 -33.2555 -33.2555 -17.3128 -17.3128 -17.2941 -17.2941 -16.7116 -16.7116 -16.6503 -16.6503 -16.5231 -16.5231 -16.4748 -16.4748 11.4795 11.4795 11.6190 11.6190 12.2849 12.2849 12.6282 12.6282 12.8649 12.8649 13.7603 13.7603 15.3433 15.3433 15.7057 15.7057 15.8446 15.8446 16.5377 16.5377 16.8896 16.8896 17.2013 17.2013 17.6484 17.6484 k = 0.0588 0.5485 0.7747 ( 3920 PWs) bands (ev): -68.9344 -68.9344 -40.5616 -40.5616 -40.5536 -40.5536 -37.7478 -37.7478 -33.2942 -33.2942 -33.2562 -33.2562 -17.3135 -17.3135 -17.2939 -17.2939 -16.7146 -16.7146 -16.6485 -16.6485 -16.5274 -16.5274 -16.4752 -16.4752 11.5097 11.5097 11.6411 11.6411 12.2483 12.2483 12.6151 12.6151 12.8471 12.8471 13.8143 13.8143 15.3324 15.3324 15.6888 15.6888 15.8351 15.8351 16.4829 16.4829 16.8967 16.8967 17.2121 17.2121 17.6725 17.6725 k = 0.0637 0.5372 0.7870 ( 3922 PWs) bands (ev): -68.9343 -68.9343 -40.5611 -40.5611 -40.5532 -40.5532 -37.7481 -37.7481 -33.2943 -33.2943 -33.2570 -33.2570 -17.3141 -17.3141 -17.2938 -17.2938 -16.7177 -16.7177 -16.6466 -16.6466 -16.5319 -16.5319 -16.4757 -16.4757 11.5384 11.5384 11.6680 11.6680 12.2115 12.2115 12.6011 12.6011 12.8287 12.8287 13.8701 13.8701 15.3212 15.3212 15.6708 15.6708 15.8253 15.8253 16.4267 16.4267 16.9039 16.9039 17.2273 17.2273 17.6987 17.6987 k = 0.0686 0.5260 0.7993 ( 3920 PWs) bands (ev): -68.9343 -68.9343 -40.5606 -40.5606 -40.5527 -40.5527 -37.7484 -37.7484 -33.2944 -33.2944 -33.2577 -33.2577 -17.3148 -17.3148 -17.2937 -17.2937 -16.7207 -16.7207 -16.6448 -16.6448 -16.5366 -16.5366 -16.4764 -16.4764 11.5644 11.5644 11.7002 11.7002 12.1753 12.1753 12.5862 12.5862 12.8098 12.8098 13.9275 13.9275 15.3098 15.3098 15.6517 15.6517 15.8153 15.8153 16.3696 16.3696 16.9112 16.9112 17.2468 17.2468 17.7272 17.7272 k = 0.0735 0.5147 0.8116 ( 3918 PWs) bands (ev): -68.9342 -68.9342 -40.5601 -40.5601 -40.5522 -40.5522 -37.7488 -37.7488 -33.2945 -33.2945 -33.2586 -33.2586 -17.3155 -17.3155 -17.2936 -17.2936 -16.7237 -16.7237 -16.6431 -16.6431 -16.5413 -16.5413 -16.4773 -16.4773 11.5874 11.5874 11.7371 11.7371 12.1406 12.1406 12.5705 12.5705 12.7906 12.7906 13.9861 13.9861 15.2984 15.2984 15.6321 15.6321 15.8052 15.8052 16.3119 16.3119 16.9184 16.9184 17.2704 17.2704 17.7578 17.7578 k = 0.0784 0.5034 0.8239 ( 3922 PWs) bands (ev): -68.9341 -68.9341 -40.5596 -40.5596 -40.5517 -40.5517 -37.7492 -37.7492 -33.2946 -33.2946 -33.2594 -33.2594 -17.3162 -17.3162 -17.2937 -17.2937 -16.7267 -16.7267 -16.6414 -16.6414 -16.5462 -16.5462 -16.4783 -16.4783 11.6076 11.6076 11.7768 11.7768 12.1091 12.1091 12.5540 12.5540 12.7710 12.7710 14.0456 14.0456 15.2870 15.2870 15.6121 15.6121 15.7950 15.7950 16.2540 16.2540 16.9255 16.9255 17.2977 17.2977 17.7904 17.7904 k = 0.0833 0.4921 0.8362 ( 3914 PWs) bands (ev): -68.9340 -68.9340 -40.5590 -40.5590 -40.5512 -40.5512 -37.7495 -37.7495 -33.2948 -33.2948 -33.2603 -33.2603 -17.3170 -17.3170 -17.2937 -17.2937 -16.7295 -16.7295 -16.6397 -16.6397 -16.5512 -16.5512 -16.4795 -16.4795 11.6257 11.6257 11.8154 11.8154 12.0841 12.0841 12.5367 12.5367 12.7512 12.7512 14.1059 14.1059 15.2757 15.2757 15.5924 15.5924 15.7850 15.7850 16.1961 16.1961 16.9324 16.9324 17.3285 17.3285 17.8251 17.8251 k = 0.0882 0.4808 0.8485 ( 3916 PWs) bands (ev): -68.9339 -68.9339 -40.5584 -40.5584 -40.5507 -40.5507 -37.7499 -37.7499 -33.2949 -33.2949 -33.2611 -33.2611 -17.3178 -17.3178 -17.2939 -17.2939 -16.7323 -16.7323 -16.6381 -16.6381 -16.5563 -16.5563 -16.4809 -16.4809 11.6420 11.6420 11.8459 11.8459 12.0719 12.0719 12.5190 12.5190 12.7313 12.7313 14.1663 14.1663 15.2647 15.2647 15.5732 15.5732 15.7751 15.7751 16.1385 16.1385 16.9390 16.9390 17.3624 17.3624 17.8618 17.8618 k = 0.0931 0.4696 0.8608 ( 3908 PWs) bands (ev): -68.9338 -68.9338 -40.5578 -40.5578 -40.5502 -40.5502 -37.7503 -37.7503 -33.2951 -33.2951 -33.2620 -33.2620 -17.3186 -17.3186 -17.2941 -17.2941 -16.7351 -16.7351 -16.6366 -16.6366 -16.5614 -16.5614 -16.4823 -16.4823 11.6565 11.6565 11.8595 11.8595 12.0810 12.0810 12.5009 12.5009 12.7115 12.7115 14.2266 14.2266 15.2538 15.2538 15.5553 15.5553 15.7656 15.7656 16.0814 16.0814 16.9452 16.9452 17.3992 17.3992 17.9004 17.9004 k = 0.0980 0.4583 0.8731 ( 3910 PWs) bands (ev): -68.9337 -68.9337 -40.5572 -40.5572 -40.5496 -40.5496 -37.7507 -37.7507 -33.2954 -33.2954 -33.2629 -33.2629 -17.3194 -17.3194 -17.2944 -17.2944 -16.7377 -16.7377 -16.6351 -16.6351 -16.5666 -16.5666 -16.4839 -16.4839 11.6691 11.6691 11.8540 11.8540 12.1136 12.1136 12.4830 12.4830 12.6917 12.6917 14.2861 14.2861 15.2433 15.2433 15.5391 15.5391 15.7564 15.7564 16.0250 16.0250 16.9509 16.9509 17.4385 17.4385 17.9408 17.9408 k = 0.1029 0.4470 0.8854 ( 3908 PWs) bands (ev): -68.9336 -68.9336 -40.5565 -40.5565 -40.5490 -40.5490 -37.7511 -37.7511 -33.2956 -33.2956 -33.2637 -33.2637 -17.3203 -17.3203 -17.2948 -17.2948 -16.7402 -16.7402 -16.6336 -16.6336 -16.5718 -16.5718 -16.4856 -16.4856 11.6788 11.6788 11.8370 11.8370 12.1619 12.1619 12.4660 12.4660 12.6721 12.6721 14.3443 14.3443 15.2331 15.2331 15.5254 15.5254 15.7476 15.7476 15.9696 15.9696 16.9561 16.9561 17.4799 17.4799 17.9830 17.9830 k = 0.1078 0.4357 0.8977 ( 3910 PWs) bands (ev): -68.9335 -68.9335 -40.5559 -40.5559 -40.5484 -40.5484 -37.7516 -37.7516 -33.2959 -33.2959 -33.2646 -33.2646 -17.3211 -17.3211 -17.2952 -17.2952 -16.7425 -16.7425 -16.6322 -16.6322 -16.5770 -16.5770 -16.4875 -16.4875 11.6840 11.6840 11.8170 11.8170 12.2172 12.2172 12.4517 12.4517 12.6530 12.6530 14.4003 14.4003 15.2233 15.2233 15.5149 15.5149 15.7394 15.7394 15.9153 15.9153 16.9606 16.9606 17.5233 17.5233 18.0268 18.0268 k = 0.1127 0.4244 0.9100 ( 3912 PWs) bands (ev): -68.9334 -68.9334 -40.5552 -40.5552 -40.5478 -40.5478 -37.7520 -37.7520 -33.2963 -33.2963 -33.2654 -33.2654 -17.3220 -17.3220 -17.2958 -17.2958 -16.7448 -16.7448 -16.6309 -16.6309 -16.5822 -16.5822 -16.4894 -16.4894 11.6817 11.6817 11.8007 11.8007 12.2710 12.2710 12.4449 12.4449 12.6344 12.6344 14.4534 14.4534 15.2138 15.2138 15.5084 15.5084 15.7318 15.7318 15.8625 15.8625 16.9643 16.9643 17.5683 17.5683 18.0722 18.0722 k = 0.1176 0.4132 0.9223 ( 3910 PWs) bands (ev): -68.9333 -68.9333 -40.5546 -40.5546 -40.5472 -40.5472 -37.7524 -37.7524 -33.2966 -33.2966 -33.2663 -33.2663 -17.3229 -17.3229 -17.2964 -17.2964 -16.7468 -16.7468 -16.6298 -16.6298 -16.5873 -16.5873 -16.4914 -16.4914 11.6693 11.6693 11.7924 11.7924 12.3091 12.3091 12.4572 12.4572 12.6172 12.6172 14.5026 14.5026 15.2048 15.2048 15.5065 15.5065 15.7248 15.7248 15.8114 15.8114 16.9672 16.9672 17.6146 17.6146 18.1191 18.1191 k = 0.1225 0.4019 0.9346 ( 3910 PWs) bands (ev): -68.9332 -68.9332 -40.5539 -40.5539 -40.5466 -40.5466 -37.7529 -37.7529 -33.2970 -33.2970 -33.2670 -33.2670 -17.3239 -17.3239 -17.2971 -17.2971 -16.7488 -16.7488 -16.6288 -16.6288 -16.5923 -16.5923 -16.4936 -16.4936 11.6480 11.6480 11.7919 11.7919 12.3198 12.3198 12.4968 12.4968 12.6039 12.6039 14.5469 14.5469 15.1961 15.1961 15.5098 15.5098 15.7184 15.7184 15.7628 15.7628 16.9691 16.9691 17.6618 17.6618 18.1673 18.1673 k = 0.1275 0.3906 0.9469 ( 3914 PWs) bands (ev): -68.9330 -68.9330 -40.5532 -40.5532 -40.5460 -40.5460 -37.7533 -37.7533 -33.2975 -33.2975 -33.2678 -33.2678 -17.3248 -17.3248 -17.2979 -17.2979 -16.7505 -16.7505 -16.6280 -16.6280 -16.5969 -16.5969 -16.4958 -16.4958 11.6212 11.6212 11.7964 11.7964 12.3120 12.3120 12.5383 12.5383 12.6104 12.6104 14.5854 14.5854 15.1877 15.1877 15.5178 15.5178 15.7115 15.7115 15.7191 15.7191 16.9698 16.9698 17.7098 17.7098 18.2169 18.2169 k = 0.1324 0.3793 0.9592 ( 3916 PWs) bands (ev): -68.9329 -68.9329 -40.5525 -40.5525 -40.5454 -40.5454 -37.7538 -37.7538 -33.2980 -33.2980 -33.2685 -33.2685 -17.3257 -17.3257 -17.2988 -17.2988 -16.7521 -16.7521 -16.6277 -16.6277 -16.6012 -16.6012 -16.4981 -16.4981 11.5916 11.5916 11.8032 11.8032 12.2969 12.2969 12.5415 12.5415 12.6658 12.6658 14.6176 14.6176 15.1797 15.1797 15.5282 15.5282 15.6790 15.6790 15.7084 15.7084 16.9694 16.9694 17.7583 17.7583 18.2676 18.2676 k = 0.1373 0.3681 0.9715 ( 3912 PWs) bands (ev): -68.9328 -68.9328 -40.5519 -40.5519 -40.5448 -40.5448 -37.7542 -37.7542 -33.2985 -33.2985 -33.2691 -33.2691 -17.3267 -17.3267 -17.2997 -17.2997 -16.7534 -16.7534 -16.6280 -16.6280 -16.6048 -16.6048 -16.5005 -16.5005 11.5610 11.5610 11.8109 11.8109 12.2789 12.2789 12.5287 12.5287 12.7430 12.7430 14.6430 14.6430 15.1721 15.1721 15.5326 15.5326 15.6562 15.6562 15.7042 15.7042 16.9676 16.9676 17.8069 17.8069 18.3192 18.3192 k = 0.1422 0.3568 0.9838 ( 3908 PWs) bands (ev): -68.9327 -68.9327 -40.5512 -40.5512 -40.5442 -40.5442 -37.7546 -37.7546 -33.2990 -33.2990 -33.2698 -33.2698 -17.3276 -17.3276 -17.3007 -17.3007 -16.7546 -16.7546 -16.6293 -16.6293 -16.6073 -16.6073 -16.5029 -16.5029 11.5302 11.5302 11.8188 11.8188 12.2598 12.2598 12.5129 12.5129 12.8268 12.8268 14.6617 14.6617 15.1647 15.1647 15.5189 15.5189 15.6606 15.6606 15.7010 15.7010 16.9644 16.9644 17.8554 17.8554 18.3717 18.3717 k = 0.1471 0.3455 0.9961 ( 3910 PWs) bands (ev): -68.9326 -68.9326 -40.5506 -40.5506 -40.5436 -40.5436 -37.7551 -37.7551 -33.2996 -33.2996 -33.2703 -33.2703 -17.3286 -17.3286 -17.3018 -17.3018 -16.7555 -16.7555 -16.6317 -16.6317 -16.6087 -16.6087 -16.5054 -16.5054 11.4996 11.4996 11.8264 11.8264 12.2404 12.2404 12.4966 12.4966 12.9141 12.9141 14.6741 14.6741 15.1576 15.1576 15.4894 15.4894 15.6864 15.6864 15.7016 15.7016 16.9598 16.9598 17.9035 17.9035 18.4248 18.4248 k = 0.1520 0.3342 1.0084 ( 3908 PWs) bands (ev): -68.9325 -68.9325 -40.5499 -40.5499 -40.5431 -40.5431 -37.7555 -37.7555 -33.3002 -33.3002 -33.2709 -33.2709 -17.3295 -17.3295 -17.3030 -17.3030 -16.7563 -16.7563 -16.6350 -16.6350 -16.6091 -16.6091 -16.5080 -16.5080 11.4698 11.4698 11.8336 11.8336 12.2212 12.2212 12.4804 12.4804 13.0037 13.0037 14.6810 14.6810 15.1508 15.1508 15.4540 15.4540 15.6933 15.6933 15.7356 15.7356 16.9535 16.9535 17.9509 17.9509 18.4783 18.4783 k = 0.1569 0.3229 1.0207 ( 3906 PWs) bands (ev): -68.9324 -68.9324 -40.5493 -40.5493 -40.5425 -40.5425 -37.7559 -37.7559 -33.3008 -33.3008 -33.2713 -33.2713 -17.3304 -17.3304 -17.3041 -17.3041 -16.7568 -16.7568 -16.6390 -16.6390 -16.6087 -16.6087 -16.5106 -16.5106 11.4407 11.4407 11.8401 11.8401 12.2025 12.2025 12.4644 12.4644 13.0948 13.0948 14.6831 14.6831 15.1441 15.1441 15.4172 15.4172 15.6922 15.6922 15.7866 15.7866 16.9456 16.9456 17.9974 17.9974 18.5320 18.5320 k = 0.1618 0.3117 1.0330 ( 3904 PWs) bands (ev): -68.9323 -68.9323 -40.5487 -40.5487 -40.5419 -40.5419 -37.7563 -37.7563 -33.3014 -33.3014 -33.2718 -33.2718 -17.3313 -17.3313 -17.3054 -17.3054 -16.7572 -16.7572 -16.6434 -16.6434 -16.6078 -16.6078 -16.5133 -16.5133 11.4127 11.4127 11.8458 11.8458 12.1845 12.1845 12.4488 12.4488 13.1871 13.1871 14.6815 14.6815 15.1376 15.1376 15.3810 15.3810 15.6909 15.6909 15.8437 15.8437 16.9361 16.9361 18.0427 18.0427 18.5854 18.5854 k = 0.1667 0.3004 1.0453 ( 3902 PWs) bands (ev): -68.9322 -68.9322 -40.5481 -40.5481 -40.5414 -40.5414 -37.7567 -37.7567 -33.3021 -33.3021 -33.2721 -33.2721 -17.3322 -17.3322 -17.3067 -17.3067 -16.7573 -16.7573 -16.6481 -16.6481 -16.6066 -16.6066 -16.5159 -16.5159 11.3857 11.3857 11.8507 11.8507 12.1673 12.1673 12.4337 12.4337 13.2800 13.2800 14.6769 14.6769 15.1313 15.1313 15.3458 15.3458 15.6899 15.6899 15.9047 15.9047 16.9249 16.9249 18.0866 18.0866 18.6384 18.6384 k = 0.1716 0.2891 1.0576 ( 3904 PWs) bands (ev): -68.9321 -68.9321 -40.5475 -40.5475 -40.5409 -40.5409 -37.7571 -37.7571 -33.3027 -33.3027 -33.2725 -33.2725 -17.3330 -17.3330 -17.3080 -17.3080 -16.7572 -16.7572 -16.6528 -16.6528 -16.6053 -16.6053 -16.5187 -16.5187 11.3600 11.3600 11.8547 11.8547 12.1512 12.1512 12.4192 12.4192 13.3731 13.3731 14.6701 14.6701 15.1249 15.1249 15.3123 15.3123 15.6891 15.6891 15.9682 15.9682 16.9121 16.9121 18.1287 18.1287 18.6903 18.6903 k = 0.1765 0.2778 1.0699 ( 3902 PWs) bands (ev): -68.9320 -68.9320 -40.5470 -40.5470 -40.5404 -40.5404 -37.7574 -37.7574 -33.3034 -33.3034 -33.2728 -33.2728 -17.3339 -17.3339 -17.3093 -17.3093 -16.7569 -16.7569 -16.6575 -16.6575 -16.6037 -16.6037 -16.5214 -16.5214 11.3355 11.3355 11.8577 11.8577 12.1362 12.1362 12.4053 12.4053 13.4660 13.4660 14.6617 14.6617 15.1185 15.1185 15.2805 15.2805 15.6884 15.6884 16.0330 16.0330 16.8977 16.8977 18.1687 18.1687 18.7409 18.7409 k = 0.1814 0.2666 1.0822 ( 3904 PWs) bands (ev): -68.9319 -68.9319 -40.5464 -40.5464 -40.5399 -40.5399 -37.7578 -37.7578 -33.3040 -33.3040 -33.2731 -33.2731 -17.3346 -17.3346 -17.3106 -17.3106 -16.7564 -16.7564 -16.6622 -16.6622 -16.6021 -16.6021 -16.5241 -16.5241 11.3124 11.3124 11.8599 11.8599 12.1224 12.1224 12.3920 12.3920 13.5583 13.5583 14.6523 14.6523 15.1120 15.1120 15.2507 15.2507 15.6877 15.6877 16.0983 16.0983 16.8819 16.8819 18.2066 18.2066 18.7893 18.7893 k = 0.1863 0.2553 1.0945 ( 3904 PWs) bands (ev): -68.9319 -68.9319 -40.5460 -40.5460 -40.5395 -40.5395 -37.7581 -37.7581 -33.3046 -33.3046 -33.2733 -33.2733 -17.3354 -17.3354 -17.3119 -17.3119 -16.7556 -16.7556 -16.6669 -16.6669 -16.6004 -16.6004 -16.5269 -16.5269 11.2907 11.2907 11.8612 11.8612 12.1100 12.1100 12.3794 12.3794 13.6496 13.6496 14.6423 14.6423 15.1052 15.1052 15.2230 15.2230 15.6869 15.6869 16.1631 16.1631 16.8648 16.8648 18.2419 18.2419 18.8351 18.8351 k = 0.1912 0.2440 1.1068 ( 3906 PWs) bands (ev): -68.9318 -68.9318 -40.5455 -40.5455 -40.5391 -40.5391 -37.7584 -37.7584 -33.3053 -33.3053 -33.2735 -33.2735 -17.3361 -17.3361 -17.3131 -17.3131 -16.7547 -16.7547 -16.6715 -16.6715 -16.5986 -16.5986 -16.5296 -16.5296 11.2704 11.2704 11.8616 11.8616 12.0988 12.0988 12.3676 12.3676 13.7392 13.7392 14.6320 14.6320 15.0980 15.0980 15.1976 15.1976 15.6859 15.6859 16.2267 16.2267 16.8466 16.8466 18.2746 18.2746 18.8776 18.8776 k = 0.1961 0.2327 1.1191 ( 3902 PWs) bands (ev): -68.9317 -68.9317 -40.5450 -40.5450 -40.5387 -40.5387 -37.7587 -37.7587 -33.3058 -33.3058 -33.2737 -33.2737 -17.3367 -17.3367 -17.3144 -17.3144 -16.7536 -16.7536 -16.6760 -16.6760 -16.5967 -16.5967 -16.5323 -16.5323 11.2516 11.2516 11.8612 11.8612 12.0890 12.0890 12.3566 12.3566 13.8267 13.8267 14.6218 14.6218 15.0903 15.0903 15.1746 15.1746 15.6846 15.6846 16.2883 16.2883 16.8276 16.8276 18.3044 18.3044 18.9159 18.9159 k = 0.2010 0.2214 1.1314 ( 3900 PWs) bands (ev): -68.9316 -68.9316 -40.5446 -40.5446 -40.5383 -40.5383 -37.7590 -37.7590 -33.3064 -33.3064 -33.2738 -33.2738 -17.3373 -17.3373 -17.3156 -17.3156 -16.7523 -16.7523 -16.6804 -16.6804 -16.5949 -16.5949 -16.5350 -16.5350 11.2344 11.2344 11.8602 11.8602 12.0804 12.0804 12.3464 12.3464 13.9115 13.9115 14.6120 14.6120 15.0818 15.0818 15.1543 15.1543 15.6829 15.6829 16.3472 16.3472 16.8081 16.8081 18.3313 18.3313 18.9496 18.9496 k = 0.2059 0.2102 1.1437 ( 3904 PWs) bands (ev): -68.9316 -68.9316 -40.5443 -40.5443 -40.5380 -40.5380 -37.7592 -37.7592 -33.3069 -33.3069 -33.2740 -33.2740 -17.3379 -17.3379 -17.3167 -17.3167 -16.7509 -16.7509 -16.6847 -16.6847 -16.5930 -16.5930 -16.5377 -16.5377 11.2187 11.2187 11.8587 11.8587 12.0731 12.0731 12.3370 12.3370 13.9928 13.9928 14.6026 14.6026 15.0725 15.0725 15.1367 15.1367 15.6809 15.6809 16.4027 16.4027 16.7886 16.7886 18.3552 18.3552 18.9783 18.9783 k = 0.2108 0.1989 1.1559 ( 3910 PWs) bands (ev): -68.9315 -68.9315 -40.5439 -40.5439 -40.5377 -40.5377 -37.7595 -37.7595 -33.3074 -33.3074 -33.2741 -33.2741 -17.3383 -17.3383 -17.3178 -17.3178 -16.7493 -16.7493 -16.6888 -16.6888 -16.5910 -16.5910 -16.5402 -16.5402 11.2045 11.2045 11.8567 11.8567 12.0669 12.0669 12.3286 12.3286 14.0699 14.0699 14.5940 14.5940 15.0623 15.0623 15.1218 15.1218 15.6784 15.6784 16.4541 16.4541 16.7695 16.7695 18.3760 18.3760 19.0020 19.0020 k = 0.2157 0.1876 1.1682 ( 3912 PWs) bands (ev): -68.9315 -68.9315 -40.5436 -40.5436 -40.5374 -40.5374 -37.7597 -37.7597 -33.3078 -33.3078 -33.2742 -33.2742 -17.3388 -17.3388 -17.3187 -17.3187 -16.7476 -16.7476 -16.6927 -16.6927 -16.5891 -16.5891 -16.5427 -16.5427 11.1920 11.1920 11.8546 11.8546 12.0618 12.0618 12.3210 12.3210 14.1419 14.1419 14.5862 14.5862 15.0516 15.0516 15.1093 15.1093 15.6755 15.6755 16.5007 16.5007 16.7515 16.7515 18.3939 18.3939 19.0211 19.0211 k = 0.2206 0.1763 1.1805 ( 3918 PWs) bands (ev): -68.9314 -68.9314 -40.5434 -40.5434 -40.5372 -40.5372 -37.7599 -37.7599 -33.3082 -33.3082 -33.2743 -33.2743 -17.3391 -17.3391 -17.3196 -17.3196 -16.7458 -16.7458 -16.6965 -16.6965 -16.5873 -16.5873 -16.5451 -16.5451 11.1811 11.1811 11.8523 11.8523 12.0576 12.0576 12.3144 12.3144 14.2079 14.2079 14.5795 14.5795 15.0409 15.0409 15.0988 15.0988 15.6724 15.6724 16.5417 16.5417 16.7351 16.7351 18.4089 18.4089 19.0361 19.0361 k = 0.2255 0.1651 1.1928 ( 3924 PWs) bands (ev): -68.9314 -68.9314 -40.5431 -40.5431 -40.5370 -40.5370 -37.7601 -37.7601 -33.3085 -33.3085 -33.2744 -33.2744 -17.3394 -17.3394 -17.3204 -17.3204 -16.7440 -16.7440 -16.6999 -16.6999 -16.5855 -16.5855 -16.5473 -16.5473 11.1719 11.1719 11.8502 11.8502 12.0543 12.0543 12.3088 12.3088 14.2668 14.2668 14.5738 14.5738 15.0307 15.0307 15.0900 15.0900 15.6691 15.6691 16.5763 16.5763 16.7214 16.7214 18.4212 18.4212 19.0476 19.0476 k = 0.2304 0.1538 1.2051 ( 3922 PWs) bands (ev): -68.9314 -68.9314 -40.5430 -40.5430 -40.5368 -40.5368 -37.7602 -37.7602 -33.3088 -33.3088 -33.2745 -33.2745 -17.3397 -17.3397 -17.3210 -17.3210 -16.7422 -16.7422 -16.7030 -16.7030 -16.5838 -16.5838 -16.5493 -16.5493 11.1643 11.1643 11.8482 11.8482 12.0517 12.0517 12.3042 12.3042 14.3172 14.3172 14.5694 14.5694 15.0214 15.0214 15.0826 15.0826 15.6659 15.6659 16.6033 16.6033 16.7114 16.7114 18.4309 18.4309 19.0562 19.0562 k = 0.2353 0.1425 1.2174 ( 3920 PWs) bands (ev): -68.9314 -68.9314 -40.5428 -40.5428 -40.5367 -40.5367 -37.7603 -37.7603 -33.3090 -33.3090 -33.2745 -33.2745 -17.3399 -17.3399 -17.3215 -17.3215 -16.7406 -16.7406 -16.7057 -16.7057 -16.5824 -16.5824 -16.5510 -16.5510 11.1584 11.1584 11.8466 11.8466 12.0498 12.0498 12.3005 12.3005 14.3581 14.3581 14.5663 14.5663 15.0136 15.0136 15.0766 15.0766 15.6631 15.6631 16.6217 16.6217 16.7061 16.7061 18.4382 18.4382 19.0625 19.0625 k = 0.2402 0.1312 1.2297 ( 3918 PWs) bands (ev): -68.9313 -68.9313 -40.5427 -40.5427 -40.5366 -40.5366 -37.7603 -37.7603 -33.3092 -33.3092 -33.2745 -33.2745 -17.3400 -17.3400 -17.3219 -17.3219 -16.7392 -16.7392 -16.7078 -16.7078 -16.5813 -16.5813 -16.5524 -16.5524 11.1542 11.1542 11.8453 11.8453 12.0484 12.0484 12.2979 12.2979 14.3881 14.3881 14.5644 14.5644 15.0076 15.0076 15.0721 15.0721 15.6608 15.6608 16.6316 16.6316 16.7055 16.7055 18.4433 18.4433 19.0667 19.0667 k = 0.2451 0.1199 1.2420 ( 3912 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3092 -33.3092 -33.2745 -33.2745 -17.3401 -17.3401 -17.3221 -17.3221 -16.7383 -16.7383 -16.7092 -16.7092 -16.5805 -16.5805 -16.5532 -16.5532 11.1516 11.1516 11.8446 11.8446 12.0476 12.0476 12.2964 12.2964 14.4065 14.4065 14.5635 14.5635 15.0038 15.0038 15.0693 15.0693 15.6594 15.6594 16.6356 16.6356 16.7071 16.7071 18.4464 18.4464 19.0691 19.0691 k = 0.2500 0.1087 1.2543 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3401 -17.3401 -17.3222 -17.3222 -16.7380 -16.7380 -16.7097 -16.7097 -16.5803 -16.5803 -16.5535 -16.5535 11.1508 11.1508 11.8443 11.8443 12.0474 12.0474 12.2959 12.2959 14.4126 14.4126 14.5632 14.5632 15.0025 15.0025 15.0684 15.0684 15.6589 15.6589 16.6365 16.6365 16.7080 16.7080 18.4473 18.4473 19.0699 19.0699 k = 0.2500 0.1087 1.2543 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3401 -17.3401 -17.3222 -17.3222 -16.7380 -16.7380 -16.7097 -16.7097 -16.5803 -16.5803 -16.5535 -16.5535 11.1508 11.1508 11.8443 11.8443 12.0474 12.0474 12.2959 12.2959 14.4126 14.4126 14.5632 14.5632 15.0025 15.0025 15.0684 15.0684 15.6589 15.6589 16.6365 16.6365 16.7080 16.7080 18.4473 18.4473 19.0699 19.0699 k = 0.2639 0.1147 1.2477 ( 3922 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2746 -33.2746 -17.3401 -17.3401 -17.3222 -17.3222 -16.7380 -16.7380 -16.7096 -16.7096 -16.5803 -16.5803 -16.5535 -16.5535 11.1507 11.1507 11.8444 11.8444 12.0474 12.0474 12.2963 12.2963 14.4118 14.4118 14.5629 14.5629 14.9966 14.9966 15.0759 15.0759 15.6590 15.6590 16.5990 16.5990 16.7456 16.7456 18.4466 18.4466 19.0705 19.0705 k = 0.2778 0.1207 1.2412 ( 3914 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3401 -17.3401 -17.3221 -17.3221 -16.7381 -16.7381 -16.7094 -16.7094 -16.5804 -16.5804 -16.5534 -16.5534 11.1505 11.1505 11.8447 11.8447 12.0474 12.0474 12.2978 12.2978 14.4092 14.4092 14.5620 14.5620 14.9846 14.9846 15.0928 15.0928 15.6593 15.6593 16.5391 16.5391 16.8055 16.8055 18.4442 18.4442 19.0722 19.0722 k = 0.2917 0.1268 1.2346 ( 3915 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3092 -33.3092 -33.2745 -33.2745 -17.3400 -17.3400 -17.3221 -17.3221 -16.7383 -16.7383 -16.7091 -16.7091 -16.5806 -16.5806 -16.5532 -16.5532 11.1501 11.1501 11.8451 11.8451 12.0475 12.0475 12.3001 12.3001 14.4048 14.4048 14.5605 14.5605 14.9722 14.9722 15.1134 15.1134 15.6597 15.6597 16.4765 16.4765 16.8681 16.8681 18.4402 18.4402 19.0749 19.0749 k = 0.3056 0.1328 1.2280 ( 3913 PWs) bands (ev): -68.9313 -68.9313 -40.5427 -40.5427 -40.5366 -40.5366 -37.7603 -37.7603 -33.3092 -33.3092 -33.2745 -33.2745 -17.3400 -17.3400 -17.3221 -17.3221 -16.7386 -16.7386 -16.7087 -16.7087 -16.5808 -16.5808 -16.5529 -16.5529 11.1496 11.1496 11.8458 11.8458 12.0477 12.0477 12.3033 12.3033 14.3985 14.3985 14.5584 14.5584 14.9612 14.9612 15.1357 15.1357 15.6602 15.6602 16.4134 16.4134 16.9310 16.9310 18.4349 18.4349 19.0786 19.0786 k = 0.3194 0.1388 1.2214 ( 3913 PWs) bands (ev): -68.9313 -68.9313 -40.5427 -40.5427 -40.5366 -40.5366 -37.7603 -37.7603 -33.3092 -33.3092 -33.2745 -33.2745 -17.3399 -17.3399 -17.3220 -17.3220 -16.7389 -16.7389 -16.7082 -16.7082 -16.5811 -16.5811 -16.5526 -16.5526 11.1492 11.1492 11.8466 11.8466 12.0479 12.0479 12.3072 12.3072 14.3904 14.3904 14.5560 14.5560 14.9525 14.9525 15.1588 15.1588 15.6608 15.6608 16.3504 16.3504 16.9933 16.9933 18.4283 18.4283 19.0831 19.0831 k = 0.3333 0.1449 1.2148 ( 3907 PWs) bands (ev): -68.9313 -68.9313 -40.5427 -40.5427 -40.5367 -40.5367 -37.7603 -37.7603 -33.3091 -33.3091 -33.2745 -33.2745 -17.3398 -17.3398 -17.3220 -17.3220 -16.7393 -16.7393 -16.7076 -16.7076 -16.5813 -16.5813 -16.5523 -16.5523 11.1488 11.1488 11.8476 11.8476 12.0482 12.0482 12.3118 12.3118 14.3805 14.3805 14.5532 14.5532 14.9461 14.9461 15.1823 15.1823 15.6615 15.6615 16.2880 16.2880 17.0544 17.0544 18.4206 18.4206 19.0882 19.0882 k = 0.3472 0.1509 1.2083 ( 3909 PWs) bands (ev): -68.9313 -68.9313 -40.5427 -40.5427 -40.5367 -40.5367 -37.7602 -37.7602 -33.3090 -33.3090 -33.2745 -33.2745 -17.3396 -17.3396 -17.3219 -17.3219 -16.7398 -16.7398 -16.7069 -16.7069 -16.5816 -16.5816 -16.5519 -16.5519 11.1484 11.1484 11.8488 11.8488 12.0486 12.0486 12.3169 12.3169 14.3688 14.3688 14.5503 14.5503 14.9422 14.9422 15.2059 15.2059 15.6622 15.6622 16.2265 16.2265 17.1136 17.1136 18.4121 18.4121 19.0937 19.0937 k = 0.3611 0.1570 1.2017 ( 3912 PWs) bands (ev): -68.9314 -68.9314 -40.5427 -40.5427 -40.5368 -40.5368 -37.7602 -37.7602 -33.3090 -33.3090 -33.2745 -33.2745 -17.3395 -17.3395 -17.3219 -17.3219 -16.7402 -16.7402 -16.7061 -16.7061 -16.5819 -16.5819 -16.5515 -16.5515 11.1483 11.1483 11.8500 11.8500 12.0492 12.0492 12.3224 12.3224 14.3556 14.3556 14.5474 14.5474 14.9406 14.9406 15.2293 15.2293 15.6628 15.6628 16.1662 16.1662 17.1703 17.1703 18.4029 18.4029 19.0993 19.0993 k = 0.3750 0.1630 1.1951 ( 3907 PWs) bands (ev): -68.9314 -68.9314 -40.5427 -40.5427 -40.5369 -40.5369 -37.7602 -37.7602 -33.3089 -33.3089 -33.2744 -33.2744 -17.3393 -17.3393 -17.3218 -17.3218 -16.7407 -16.7407 -16.7052 -16.7052 -16.5823 -16.5823 -16.5511 -16.5511 11.1485 11.1485 11.8514 11.8514 12.0499 12.0499 12.3282 12.3282 14.3409 14.3409 14.5445 14.5445 14.9412 14.9412 15.2522 15.2522 15.6633 15.6633 16.1076 16.1076 17.2237 17.2237 18.3932 18.3932 19.1049 19.1049 k = 0.3889 0.1690 1.1885 ( 3905 PWs) bands (ev): -68.9314 -68.9314 -40.5427 -40.5427 -40.5370 -40.5370 -37.7601 -37.7601 -33.3088 -33.3088 -33.2744 -33.2744 -17.3390 -17.3390 -17.3217 -17.3217 -16.7413 -16.7413 -16.7043 -16.7043 -16.5826 -16.5826 -16.5506 -16.5506 11.1489 11.1489 11.8528 11.8528 12.0507 12.0507 12.3341 12.3341 14.3250 14.3250 14.5419 14.5419 14.9437 14.9437 15.2741 15.2741 15.6635 15.6635 16.0513 16.0513 17.2732 17.2732 18.3833 18.3833 19.1102 19.1102 k = 0.4028 0.1751 1.1819 ( 3905 PWs) bands (ev): -68.9314 -68.9314 -40.5426 -40.5426 -40.5372 -40.5372 -37.7601 -37.7601 -33.3087 -33.3087 -33.2744 -33.2744 -17.3388 -17.3388 -17.3217 -17.3217 -16.7419 -16.7419 -16.7033 -16.7033 -16.5830 -16.5830 -16.5502 -16.5502 11.1498 11.1498 11.8544 11.8544 12.0516 12.0516 12.3400 12.3400 14.3079 14.3079 14.5396 14.5396 14.9482 14.9482 15.2945 15.2945 15.6634 15.6634 15.9979 15.9979 17.3179 17.3179 18.3734 18.3734 19.1150 19.1150 k = 0.4167 0.1811 1.1753 ( 3901 PWs) bands (ev): -68.9314 -68.9314 -40.5426 -40.5426 -40.5373 -40.5373 -37.7600 -37.7600 -33.3086 -33.3086 -33.2744 -33.2744 -17.3385 -17.3385 -17.3216 -17.3216 -16.7425 -16.7425 -16.7022 -16.7022 -16.5834 -16.5834 -16.5497 -16.5497 11.1511 11.1511 11.8560 11.8560 12.0528 12.0528 12.3457 12.3457 14.2899 14.2899 14.5378 14.5378 14.9543 14.9543 15.3127 15.3127 15.6625 15.6625 15.9486 15.9486 17.3570 17.3570 18.3636 18.3636 19.1191 19.1191 k = 0.4306 0.1871 1.1688 ( 3903 PWs) bands (ev): -68.9314 -68.9314 -40.5426 -40.5426 -40.5375 -40.5375 -37.7600 -37.7600 -33.3085 -33.3085 -33.2744 -33.2744 -17.3381 -17.3381 -17.3216 -17.3216 -16.7431 -16.7431 -16.7011 -16.7011 -16.5837 -16.5837 -16.5492 -16.5492 11.1530 11.1530 11.8576 11.8576 12.0540 12.0540 12.3512 12.3512 14.2712 14.2712 14.5364 14.5364 14.9620 14.9620 15.3278 15.3278 15.6607 15.6607 15.9047 15.9047 17.3897 17.3897 18.3541 18.3541 19.1225 19.1225 k = 0.4444 0.1932 1.1622 ( 3905 PWs) bands (ev): -68.9314 -68.9314 -40.5426 -40.5426 -40.5377 -40.5377 -37.7599 -37.7599 -33.3084 -33.3084 -33.2744 -33.2744 -17.3378 -17.3378 -17.3215 -17.3215 -16.7437 -16.7437 -16.6999 -16.6999 -16.5842 -16.5842 -16.5486 -16.5486 11.1554 11.1554 11.8593 11.8593 12.0554 12.0554 12.3562 12.3562 14.2517 14.2517 14.5356 14.5356 14.9711 14.9711 15.3383 15.3383 15.6574 15.6574 15.8681 15.8681 17.4154 17.4154 18.3450 18.3450 19.1248 19.1248 k = 0.4583 0.1992 1.1556 ( 3911 PWs) bands (ev): -68.9314 -68.9314 -40.5425 -40.5425 -40.5379 -40.5379 -37.7599 -37.7599 -33.3083 -33.3083 -33.2744 -33.2744 -17.3374 -17.3374 -17.3215 -17.3215 -16.7443 -16.7443 -16.6986 -16.6986 -16.5846 -16.5846 -16.5480 -16.5480 11.1583 11.1583 11.8610 11.8610 12.0569 12.0569 12.3608 12.3608 14.2318 14.2318 14.5355 14.5355 14.9814 14.9814 15.3426 15.3426 15.6524 15.6524 15.8406 15.8406 17.4335 17.4335 18.3363 18.3363 19.1261 19.1261 k = 0.4722 0.2052 1.1490 ( 3910 PWs) bands (ev): -68.9314 -68.9314 -40.5425 -40.5425 -40.5381 -40.5381 -37.7598 -37.7598 -33.3081 -33.3081 -33.2743 -33.2743 -17.3370 -17.3370 -17.3214 -17.3214 -16.7449 -16.7449 -16.6973 -16.6973 -16.5851 -16.5851 -16.5474 -16.5474 11.1619 11.1619 11.8628 11.8628 12.0585 12.0585 12.3649 12.3649 14.2114 14.2114 14.5360 14.5360 14.9930 14.9930 15.3393 15.3393 15.6463 15.6463 15.8236 15.8236 17.4438 17.4438 18.3283 18.3283 19.1263 19.1263 k = 0.4861 0.2113 1.1424 ( 3913 PWs) bands (ev): -68.9315 -68.9315 -40.5424 -40.5424 -40.5383 -40.5383 -37.7598 -37.7598 -33.3080 -33.3080 -33.2743 -33.2743 -17.3366 -17.3366 -17.3213 -17.3213 -16.7456 -16.7456 -16.6960 -16.6960 -16.5856 -16.5856 -16.5468 -16.5468 11.1661 11.1661 11.8645 11.8645 12.0602 12.0602 12.3683 12.3683 14.1906 14.1906 14.5372 14.5372 15.0055 15.0055 15.3270 15.3270 15.6403 15.6403 15.8169 15.8169 17.4462 17.4462 18.3209 18.3209 19.1252 19.1252 k = 0.5000 0.2173 1.1358 ( 3910 PWs) bands (ev): -68.9315 -68.9315 -40.5424 -40.5424 -40.5385 -40.5385 -37.7597 -37.7597 -33.3078 -33.3078 -33.2743 -33.2743 -17.3362 -17.3362 -17.3212 -17.3212 -16.7462 -16.7462 -16.6946 -16.6946 -16.5861 -16.5861 -16.5461 -16.5461 11.1710 11.1710 11.8662 11.8662 12.0620 12.0620 12.3710 12.3710 14.1696 14.1696 14.5391 14.5391 15.0191 15.0191 15.3059 15.3059 15.6359 15.6359 15.8191 15.8191 17.4408 17.4408 18.3142 18.3142 19.1229 19.1229 k = 0.5000 0.2173 1.1358 ( 3910 PWs) bands (ev): -68.9315 -68.9315 -40.5424 -40.5424 -40.5385 -40.5385 -37.7597 -37.7597 -33.3078 -33.3078 -33.2743 -33.2743 -17.3362 -17.3362 -17.3212 -17.3212 -16.7462 -16.7462 -16.6946 -16.6946 -16.5861 -16.5861 -16.5461 -16.5461 11.1710 11.1710 11.8662 11.8662 12.0620 12.0620 12.3710 12.3710 14.1696 14.1696 14.5391 14.5391 15.0191 15.0191 15.3059 15.3059 15.6359 15.6359 15.8191 15.8191 17.4408 17.4408 18.3142 18.3142 19.1229 19.1229 k = 0.5000 0.2173 1.1186 ( 3914 PWs) bands (ev): -68.9315 -68.9315 -40.5424 -40.5424 -40.5391 -40.5391 -37.7595 -37.7595 -33.3074 -33.3074 -33.2742 -33.2742 -17.3351 -17.3351 -17.3208 -17.3208 -16.7479 -16.7479 -16.6908 -16.6908 -16.5876 -16.5876 -16.5442 -16.5442 11.1853 11.1853 11.8710 11.8710 12.0671 12.0671 12.3778 12.3778 14.1131 14.1131 14.5450 14.5450 15.0549 15.0549 15.2383 15.2383 15.6270 15.6270 15.8349 15.8349 17.4165 17.4165 18.2964 18.2964 19.1145 19.1145 k = 0.5000 0.2173 1.1014 ( 3914 PWs) bands (ev): -68.9316 -68.9316 -40.5423 -40.5423 -40.5399 -40.5399 -37.7593 -37.7593 -33.3069 -33.3069 -33.2741 -33.2741 -17.3339 -17.3339 -17.3203 -17.3203 -16.7494 -16.7494 -16.6868 -16.6868 -16.5892 -16.5892 -16.5421 -16.5421 11.2014 11.2014 11.8764 11.8764 12.0727 12.0727 12.3852 12.3852 14.0548 14.0548 14.5510 14.5510 15.0860 15.0860 15.1701 15.1701 15.6177 15.6177 15.8497 15.8497 17.3909 17.3909 18.2761 18.2761 19.1050 19.1050 k = 0.5000 0.2173 1.0842 ( 3910 PWs) bands (ev): -68.9316 -68.9316 -40.5422 -40.5422 -40.5406 -40.5406 -37.7590 -37.7590 -33.3064 -33.3064 -33.2740 -33.2740 -17.3326 -17.3326 -17.3197 -17.3197 -16.7508 -16.7508 -16.6826 -16.6826 -16.5908 -16.5908 -16.5400 -16.5400 11.2193 11.2193 11.8824 11.8824 12.0789 12.0789 12.3933 12.3933 13.9950 13.9950 14.5568 14.5568 15.0714 15.0714 15.1423 15.1423 15.6086 15.6086 15.8638 15.8638 17.3647 17.3647 18.2535 18.2535 19.0942 19.0942 k = 0.5000 0.2173 1.0670 ( 3902 PWs) bands (ev): -68.9317 -68.9317 -40.5421 -40.5421 -40.5415 -40.5415 -37.7588 -37.7588 -33.3058 -33.3058 -33.2739 -33.2739 -17.3312 -17.3312 -17.3190 -17.3190 -16.7520 -16.7520 -16.6783 -16.6783 -16.5924 -16.5924 -16.5378 -16.5378 11.2389 11.2389 11.8888 11.8888 12.0856 12.0856 12.4020 12.4020 13.9340 13.9340 14.5621 14.5621 14.9970 14.9970 15.1690 15.1690 15.6001 15.6001 15.8775 15.8775 17.3382 17.3382 18.2286 18.2286 19.0823 19.0823 k = 0.5000 0.2173 1.0498 ( 3910 PWs) bands (ev): -68.9318 -68.9318 -40.5425 -40.5425 -40.5420 -40.5420 -37.7585 -37.7585 -33.3051 -33.3051 -33.2738 -33.2738 -17.3299 -17.3299 -17.3180 -17.3180 -16.7532 -16.7532 -16.6738 -16.6738 -16.5940 -16.5940 -16.5355 -16.5355 11.2602 11.2602 11.8958 11.8958 12.0928 12.0928 12.4112 12.4112 13.8721 13.8721 14.5664 14.5664 14.9133 14.9133 15.2001 15.2001 15.5925 15.5925 15.8910 15.8910 17.3119 17.3119 18.2014 18.2014 19.0690 19.0690 k = 0.5000 0.2173 1.0326 ( 3906 PWs) bands (ev): -68.9319 -68.9319 -40.5435 -40.5435 -40.5419 -40.5419 -37.7582 -37.7582 -33.3044 -33.3044 -33.2736 -33.2736 -17.3287 -17.3287 -17.3169 -17.3169 -16.7541 -16.7541 -16.6693 -16.6693 -16.5956 -16.5956 -16.5332 -16.5332 11.2830 11.2830 11.9032 11.9032 12.1004 12.1004 12.4208 12.4208 13.8094 13.8094 14.5690 14.5690 14.8257 14.8257 15.2305 15.2305 15.5865 15.5865 15.9046 15.9046 17.2861 17.2861 18.1722 18.1722 19.0545 19.0545 k = 0.5000 0.2173 1.0154 ( 3898 PWs) bands (ev): -68.9319 -68.9319 -40.5446 -40.5446 -40.5418 -40.5418 -37.7578 -37.7578 -33.3036 -33.3036 -33.2735 -33.2735 -17.3275 -17.3275 -17.3154 -17.3154 -16.7549 -16.7549 -16.6646 -16.6646 -16.5973 -16.5973 -16.5308 -16.5308 11.3073 11.3073 11.9110 11.9110 12.1084 12.1084 12.4307 12.4307 13.7461 13.7461 14.5687 14.5687 14.7362 14.7362 15.2594 15.2594 15.5824 15.5824 15.9185 15.9185 17.2611 17.2611 18.1409 18.1409 19.0387 19.0387 k = 0.5000 0.2173 0.9982 ( 3898 PWs) bands (ev): -68.9320 -68.9320 -40.5457 -40.5457 -40.5417 -40.5417 -37.7574 -37.7574 -33.3028 -33.3028 -33.2733 -33.2733 -17.3265 -17.3265 -17.3137 -17.3137 -16.7554 -16.7554 -16.6598 -16.6598 -16.5989 -16.5989 -16.5284 -16.5284 11.3330 11.3330 11.9191 11.9191 12.1168 12.1168 12.4407 12.4407 13.6823 13.6823 14.5601 14.5601 14.6503 14.6503 15.2867 15.2867 15.5808 15.5808 15.9327 15.9327 17.2371 17.2371 18.1080 18.1080 19.0211 19.0211 k = 0.5000 0.2173 0.9810 ( 3902 PWs) bands (ev): -68.9321 -68.9321 -40.5470 -40.5470 -40.5415 -40.5415 -37.7570 -37.7570 -33.3020 -33.3020 -33.2732 -33.2732 -17.3256 -17.3256 -17.3117 -17.3117 -16.7558 -16.7558 -16.6549 -16.6549 -16.6006 -16.6006 -16.5260 -16.5260 11.3600 11.3600 11.9275 11.9275 12.1254 12.1254 12.4509 12.4509 13.6182 13.6182 14.5146 14.5146 14.5967 14.5967 15.3122 15.3122 15.5822 15.5822 15.9476 15.9476 17.2143 17.2143 18.0734 18.0734 18.9998 18.9998 k = 0.5000 0.2173 0.9637 ( 3902 PWs) bands (ev): -68.9322 -68.9322 -40.5483 -40.5483 -40.5414 -40.5414 -37.7566 -37.7566 -33.3011 -33.3011 -33.2730 -33.2730 -17.3249 -17.3249 -17.3094 -17.3094 -16.7560 -16.7560 -16.6500 -16.6500 -16.6022 -16.6022 -16.5235 -16.5235 11.3882 11.3882 11.9361 11.9361 12.1344 12.1344 12.4610 12.4610 13.5539 13.5539 14.4267 14.4267 14.5811 14.5811 15.3358 15.3358 15.5870 15.5870 15.9632 15.9632 17.1930 17.1930 18.0375 18.0375 18.9669 18.9669 k = 0.5000 0.2173 0.9465 ( 3902 PWs) bands (ev): -68.9323 -68.9323 -40.5496 -40.5496 -40.5412 -40.5412 -37.7562 -37.7562 -33.3002 -33.3002 -33.2728 -33.2728 -17.3242 -17.3242 -17.3068 -17.3068 -16.7561 -16.7561 -16.6450 -16.6450 -16.6038 -16.6038 -16.5210 -16.5210 11.4175 11.4175 11.9449 11.9449 12.1436 12.1436 12.4709 12.4709 13.4894 13.4894 14.3284 14.3284 14.5715 14.5715 15.3575 15.3575 15.5955 15.5955 15.9797 15.9797 17.1731 17.1731 18.0004 18.0004 18.9275 18.9276 k = 0.5000 0.2173 0.9293 ( 3898 PWs) bands (ev): -68.9324 -68.9324 -40.5511 -40.5511 -40.5411 -40.5411 -37.7558 -37.7558 -33.2992 -33.2992 -33.2726 -33.2726 -17.3237 -17.3237 -17.3041 -17.3041 -16.7559 -16.7559 -16.6399 -16.6399 -16.6054 -16.6054 -16.5185 -16.5185 11.4477 11.4477 11.9536 11.9536 12.1530 12.1530 12.4805 12.4805 13.4249 13.4249 14.2270 14.2270 14.5610 14.5610 15.3773 15.3773 15.6081 15.6081 15.9972 15.9972 17.1548 17.1548 17.9625 17.9625 18.8862 18.8862 k = 0.5000 0.2173 0.9121 ( 3900 PWs) bands (ev): -68.9325 -68.9325 -40.5526 -40.5526 -40.5409 -40.5409 -37.7553 -37.7553 -33.2982 -33.2982 -33.2724 -33.2724 -17.3232 -17.3232 -17.3011 -17.3011 -16.7555 -16.7555 -16.6347 -16.6347 -16.6070 -16.6070 -16.5160 -16.5160 11.4788 11.4788 11.9623 11.9623 12.1628 12.1628 12.4897 12.4897 13.3605 13.3605 14.1239 14.1239 14.5484 14.5484 15.3953 15.3953 15.6248 15.6248 16.0158 16.0158 17.1382 17.1382 17.9241 17.9241 18.8436 18.8436 k = 0.5000 0.2173 0.8949 ( 3904 PWs) bands (ev): -68.9327 -68.9327 -40.5541 -40.5541 -40.5407 -40.5407 -37.7548 -37.7548 -33.2971 -33.2971 -33.2722 -33.2722 -17.3227 -17.3227 -17.2980 -17.2980 -16.7550 -16.7550 -16.6296 -16.6296 -16.6085 -16.6085 -16.5135 -16.5135 11.5106 11.5106 11.9708 11.9708 12.1727 12.1727 12.4983 12.4983 13.2962 13.2962 14.0198 14.0198 14.5333 14.5333 15.4115 15.4115 15.6459 15.6459 16.0356 16.0356 17.1232 17.1232 17.8853 17.8853 18.8000 18.8000 k = 0.5000 0.2173 0.8777 ( 3910 PWs) bands (ev): -68.9328 -68.9328 -40.5557 -40.5557 -40.5405 -40.5405 -37.7544 -37.7544 -33.2960 -33.2960 -33.2720 -33.2720 -17.3223 -17.3223 -17.2947 -17.2947 -16.7542 -16.7542 -16.6244 -16.6244 -16.6100 -16.6100 -16.5110 -16.5110 11.5429 11.5429 11.9790 11.9790 12.1830 12.1830 12.5062 12.5062 13.2322 13.2322 13.9153 13.9153 14.5157 14.5157 15.4259 15.4259 15.6711 15.6711 16.0567 16.0567 17.1099 17.1099 17.8465 17.8465 18.7553 18.7553 k = 0.5000 0.2173 0.8605 ( 3914 PWs) bands (ev): -68.9329 -68.9329 -40.5574 -40.5574 -40.5403 -40.5403 -37.7539 -37.7539 -33.2949 -33.2949 -33.2718 -33.2718 -17.3220 -17.3220 -17.2913 -17.2913 -16.7533 -16.7533 -16.6194 -16.6194 -16.6112 -16.6112 -16.5085 -16.5085 11.5754 11.5754 11.9867 11.9867 12.1936 12.1936 12.5133 12.5133 13.1685 13.1685 13.8108 13.8108 14.4958 14.4958 15.4386 15.4386 15.7006 15.7006 16.0792 16.0792 17.0982 17.0982 17.8080 17.8080 18.7098 18.7098 k = 0.5000 0.2173 0.8433 ( 3912 PWs) bands (ev): -68.9330 -68.9330 -40.5591 -40.5591 -40.5401 -40.5401 -37.7533 -37.7533 -33.2937 -33.2937 -33.2715 -33.2715 -17.3216 -17.3216 -17.2877 -17.2877 -16.7522 -16.7522 -16.6157 -16.6157 -16.6111 -16.6111 -16.5060 -16.5060 11.6081 11.6081 11.9937 11.9937 12.2047 12.2047 12.5193 12.5193 13.1054 13.1054 13.7066 13.7066 14.4737 14.4737 15.4497 15.4497 15.7342 15.7342 16.1030 16.1030 17.0881 17.0881 17.7701 17.7701 18.6634 18.6634 k = 0.5000 0.2173 0.8261 ( 3912 PWs) bands (ev): -68.9332 -68.9332 -40.5608 -40.5608 -40.5399 -40.5399 -37.7528 -37.7528 -33.2925 -33.2925 -33.2713 -33.2713 -17.3213 -17.3213 -17.2840 -17.2840 -16.7509 -16.7509 -16.6156 -16.6156 -16.6072 -16.6072 -16.5035 -16.5035 11.6406 11.6406 11.9999 11.9999 12.2162 12.2162 12.5243 12.5243 13.0427 13.0427 13.6032 13.6032 14.4496 14.4496 15.4593 15.4593 15.7716 15.7716 16.1282 16.1282 17.0794 17.0794 17.7331 17.7331 18.6164 18.6164 k = 0.5000 0.2173 0.8089 ( 3906 PWs) bands (ev): -68.9333 -68.9333 -40.5626 -40.5626 -40.5397 -40.5397 -37.7522 -37.7522 -33.2913 -33.2913 -33.2710 -33.2710 -17.3210 -17.3210 -17.2802 -17.2802 -16.7494 -16.7494 -16.6168 -16.6168 -16.6021 -16.6021 -16.5010 -16.5010 11.6726 11.6726 12.0051 12.0051 12.2283 12.2283 12.5280 12.5280 12.9808 12.9808 13.5010 13.5010 14.4238 14.4238 15.4675 15.4675 15.8128 15.8128 16.1548 16.1548 17.0721 17.0721 17.6973 17.6973 18.5686 18.5686 k = 0.5000 0.2173 0.7917 ( 3906 PWs) bands (ev): -68.9335 -68.9335 -40.5645 -40.5645 -40.5395 -40.5395 -37.7517 -37.7517 -33.2901 -33.2901 -33.2708 -33.2708 -17.3207 -17.3207 -17.2763 -17.2763 -16.7478 -16.7478 -16.6181 -16.6181 -16.5968 -16.5968 -16.4985 -16.4985 11.7038 11.7038 12.0091 12.0091 12.2410 12.2410 12.5303 12.5303 12.9197 12.9197 13.4004 13.4004 14.3964 14.3964 15.4745 15.4745 15.8575 15.8575 16.1826 16.1826 17.0661 17.0661 17.6632 17.6632 18.5202 18.5202 k = 0.5000 0.2173 0.7744 ( 3902 PWs) bands (ev): -68.9336 -68.9336 -40.5663 -40.5663 -40.5392 -40.5392 -37.7511 -37.7511 -33.2888 -33.2888 -33.2705 -33.2705 -17.3204 -17.3204 -17.2724 -17.2724 -16.7460 -16.7460 -16.6195 -16.6195 -16.5915 -16.5915 -16.4961 -16.4961 11.7338 11.7338 12.0118 12.0118 12.2543 12.2543 12.5310 12.5310 12.8597 12.8597 13.3020 13.3020 14.3677 14.3677 15.4804 15.4804 15.9055 15.9055 16.2117 16.2117 17.0612 17.0612 17.6309 17.6309 18.4714 18.4714 k = 0.5000 0.2173 0.7572 ( 3894 PWs) bands (ev): -68.9337 -68.9337 -40.5682 -40.5682 -40.5390 -40.5390 -37.7505 -37.7505 -33.2875 -33.2875 -33.2702 -33.2702 -17.3202 -17.3202 -17.2683 -17.2683 -16.7440 -16.7440 -16.6208 -16.6208 -16.5861 -16.5861 -16.4937 -16.4937 11.7620 11.7620 12.0132 12.0132 12.2683 12.2683 12.5298 12.5298 12.8011 12.8011 13.2063 13.2063 14.3379 14.3379 15.4852 15.4852 15.9566 15.9566 16.2418 16.2418 17.0574 17.0574 17.6010 17.6010 18.4220 18.4220 k = 0.5000 0.2173 0.7400 ( 3900 PWs) bands (ev): -68.9339 -68.9339 -40.5702 -40.5702 -40.5387 -40.5387 -37.7499 -37.7499 -33.2862 -33.2862 -33.2699 -33.2699 -17.3199 -17.3199 -17.2642 -17.2642 -16.7419 -16.7419 -16.6221 -16.6221 -16.5807 -16.5807 -16.4913 -16.4913 11.7878 11.7878 12.0131 12.0131 12.2828 12.2828 12.5260 12.5260 12.7447 12.7447 13.1142 13.1142 14.3072 14.3072 15.4891 15.4891 16.0107 16.0107 16.2728 16.2728 17.0545 17.0545 17.5737 17.5737 18.3722 18.3722 k = 0.5000 0.2173 0.7228 ( 3904 PWs) bands (ev): -68.9340 -68.9340 -40.5721 -40.5721 -40.5385 -40.5385 -37.7493 -37.7493 -33.2849 -33.2849 -33.2696 -33.2696 -17.3197 -17.3197 -17.2599 -17.2599 -16.7397 -16.7397 -16.6234 -16.6234 -16.5754 -16.5754 -16.4890 -16.4890 11.8105 11.8105 12.0115 12.0115 12.2975 12.2975 12.5186 12.5186 12.6918 12.6918 13.0264 13.0264 14.2756 14.2756 15.4923 15.4923 16.0676 16.0676 16.3045 16.3045 17.0524 17.0524 17.5494 17.5494 18.3221 18.3221 k = 0.5000 0.2173 0.7056 ( 3904 PWs) bands (ev): -68.9342 -68.9342 -40.5741 -40.5741 -40.5382 -40.5382 -37.7488 -37.7488 -33.2836 -33.2836 -33.2693 -33.2693 -17.3194 -17.3194 -17.2557 -17.2557 -16.7373 -16.7373 -16.6247 -16.6247 -16.5701 -16.5701 -16.4867 -16.4867 11.8290 11.8290 12.0085 12.0085 12.3118 12.3118 12.5055 12.5055 12.6449 12.6449 12.9441 12.9441 14.2433 14.2433 15.4949 15.4949 16.1271 16.1271 16.3365 16.3365 17.0510 17.0510 17.5285 17.5285 18.2717 18.2717 k = 0.5000 0.2173 0.6884 ( 3910 PWs) bands (ev): -68.9343 -68.9343 -40.5761 -40.5761 -40.5379 -40.5379 -37.7482 -37.7482 -33.2823 -33.2823 -33.2691 -33.2691 -17.3192 -17.3192 -17.2514 -17.2514 -16.7349 -16.7349 -16.6258 -16.6258 -16.5648 -16.5648 -16.4844 -16.4844 11.8423 11.8423 12.0041 12.0041 12.3244 12.3244 12.4838 12.4838 12.6080 12.6080 12.8687 12.8687 14.2104 14.2104 15.4970 15.4970 16.1890 16.1890 16.3685 16.3685 17.0502 17.0502 17.5115 17.5115 18.2210 18.2210 k = 0.5000 0.2173 0.6712 ( 3910 PWs) bands (ev): -68.9345 -68.9345 -40.5781 -40.5781 -40.5377 -40.5377 -37.7476 -37.7476 -33.2809 -33.2809 -33.2688 -33.2688 -17.3189 -17.3189 -17.2470 -17.2470 -16.7323 -16.7323 -16.6270 -16.6270 -16.5596 -16.5596 -16.4821 -16.4821 11.8491 11.8491 11.9985 11.9985 12.3320 12.3320 12.4544 12.4544 12.5828 12.5828 12.8020 12.8020 14.1770 14.1770 15.4987 15.4987 16.2531 16.2531 16.4002 16.4002 17.0497 17.0497 17.4986 17.4986 18.1702 18.1702 k = 0.5000 0.2173 0.6540 ( 3910 PWs) bands (ev): -68.9346 -68.9346 -40.5801 -40.5801 -40.5374 -40.5374 -37.7470 -37.7470 -33.2796 -33.2796 -33.2685 -33.2685 -17.3187 -17.3187 -17.2426 -17.2426 -16.7296 -16.7296 -16.6281 -16.6281 -16.5544 -16.5544 -16.4799 -16.4799 11.8482 11.8482 11.9918 11.9918 12.3269 12.3269 12.4272 12.4272 12.5663 12.5663 12.7464 12.7464 14.1431 14.1431 15.5001 15.5001 16.3192 16.3192 16.4313 16.4313 17.0496 17.0496 17.4902 17.4902 18.1193 18.1193 k = 0.5000 0.2173 0.6368 ( 3910 PWs) bands (ev): -68.9348 -68.9348 -40.5822 -40.5822 -40.5371 -40.5371 -37.7464 -37.7464 -33.2783 -33.2783 -33.2681 -33.2681 -17.3184 -17.3184 -17.2381 -17.2381 -16.7269 -16.7269 -16.6291 -16.6291 -16.5494 -16.5494 -16.4776 -16.4776 11.8383 11.8383 11.9837 11.9837 12.3005 12.3005 12.4138 12.4138 12.5540 12.5540 12.7046 12.7046 14.1088 14.1088 15.5013 15.5013 16.3866 16.3866 16.4620 16.4620 17.0497 17.0497 17.4866 17.4866 18.0684 18.0684 k = 0.5000 0.2173 0.6196 ( 3902 PWs) bands (ev): -68.9350 -68.9350 -40.5842 -40.5842 -40.5368 -40.5368 -37.7457 -37.7457 -33.2769 -33.2769 -33.2678 -33.2678 -17.3182 -17.3182 -17.2336 -17.2336 -16.7241 -16.7241 -16.6300 -16.6300 -16.5445 -16.5445 -16.4754 -16.4754 11.8188 11.8188 11.9742 11.9742 12.2590 12.2590 12.4087 12.4087 12.5440 12.5440 12.6789 12.6789 14.0740 14.0740 15.5024 15.5024 16.4524 16.4524 16.4946 16.4946 17.0500 17.0500 17.4881 17.4881 18.0174 18.0174 k = 0.5000 0.2173 0.6023 ( 3896 PWs) bands (ev): -68.9351 -68.9351 -40.5862 -40.5862 -40.5365 -40.5365 -37.7451 -37.7451 -33.2755 -33.2755 -33.2675 -33.2675 -17.3179 -17.3179 -17.2291 -17.2291 -16.7213 -16.7213 -16.6309 -16.6309 -16.5396 -16.5396 -16.4732 -16.4732 11.7896 11.7896 11.9630 11.9630 12.2124 12.2124 12.4012 12.4012 12.5379 12.5379 12.6692 12.6692 14.0389 14.0389 15.5035 15.5035 16.5011 16.5011 16.5439 16.5439 17.0503 17.0503 17.4947 17.4947 17.9665 17.9665 k = 0.5000 0.2173 0.5851 ( 3900 PWs) bands (ev): -68.9353 -68.9353 -40.5883 -40.5883 -40.5362 -40.5362 -37.7445 -37.7445 -33.2742 -33.2742 -33.2672 -33.2672 -17.3177 -17.3177 -17.2246 -17.2246 -16.7184 -16.7184 -16.6317 -16.6317 -16.5350 -16.5350 -16.4710 -16.4710 11.7510 11.7510 11.9500 11.9500 12.1651 12.1651 12.3872 12.3872 12.5377 12.5377 12.6725 12.6725 14.0034 14.0034 15.5047 15.5047 16.5295 16.5295 16.6130 16.6130 17.0505 17.0505 17.5063 17.5063 17.9158 17.9158 k = 0.5000 0.2173 0.5679 ( 3900 PWs) bands (ev): -68.9354 -68.9354 -40.5903 -40.5903 -40.5359 -40.5359 -37.7439 -37.7439 -33.2729 -33.2729 -33.2668 -33.2668 -17.3174 -17.3174 -17.2201 -17.2201 -16.7156 -16.7156 -16.6323 -16.6323 -16.5305 -16.5305 -16.4688 -16.4688 11.7042 11.7042 11.9353 11.9353 12.1191 12.1191 12.3677 12.3677 12.5434 12.5434 12.6854 12.6854 13.9675 13.9675 15.5060 15.5060 16.5515 16.5515 16.6876 16.6876 17.0507 17.0507 17.5225 17.5225 17.8653 17.8653 k = 0.5000 0.2173 0.5507 ( 3904 PWs) bands (ev): -68.9356 -68.9356 -40.5923 -40.5923 -40.5356 -40.5356 -37.7433 -37.7433 -33.2716 -33.2716 -33.2665 -33.2665 -17.3172 -17.3172 -17.2156 -17.2156 -16.7128 -16.7128 -16.6329 -16.6329 -16.5261 -16.5261 -16.4666 -16.4666 11.6508 11.6508 11.9189 11.9189 12.0750 12.0750 12.3450 12.3450 12.5532 12.5532 12.7052 12.7052 13.9314 13.9314 15.5075 15.5075 16.5701 16.5701 16.7644 16.7644 17.0508 17.0508 17.5426 17.5426 17.8150 17.8150 k = 0.5000 0.2173 0.5335 ( 3908 PWs) bands (ev): -68.9357 -68.9357 -40.5943 -40.5943 -40.5353 -40.5353 -37.7428 -37.7428 -33.2703 -33.2703 -33.2662 -33.2662 -17.3169 -17.3169 -17.2111 -17.2111 -16.7100 -16.7100 -16.6333 -16.6333 -16.5220 -16.5220 -16.4644 -16.4644 11.5923 11.5923 11.9007 11.9007 12.0331 12.0331 12.3207 12.3207 12.5660 12.5660 12.7299 12.7299 13.8951 13.8951 15.5093 15.5093 16.5859 16.5859 16.8427 16.8427 17.0508 17.0508 17.5659 17.5659 17.7651 17.7651 k = 0.5000 0.2173 0.5163 ( 3908 PWs) bands (ev): -68.9359 -68.9359 -40.5963 -40.5963 -40.5350 -40.5350 -37.7422 -37.7422 -33.2690 -33.2690 -33.2659 -33.2659 -17.3166 -17.3166 -17.2065 -17.2065 -16.7073 -16.7073 -16.6336 -16.6336 -16.5181 -16.5181 -16.4621 -16.4621 11.5304 11.5304 11.8803 11.8803 11.9938 11.9938 12.2956 12.2956 12.5809 12.5809 12.7580 12.7580 13.8585 13.8585 15.5113 15.5113 16.5993 16.5993 16.9219 16.9219 17.0509 17.0509 17.5908 17.5908 17.7155 17.7155 k = 0.5000 0.2173 0.4991 ( 3912 PWs) bands (ev): -68.9360 -68.9360 -40.5983 -40.5983 -40.5347 -40.5347 -37.7416 -37.7416 -33.2678 -33.2678 -33.2656 -33.2656 -17.3164 -17.3164 -17.2021 -17.2021 -16.7047 -16.7047 -16.6337 -16.6337 -16.5144 -16.5144 -16.4598 -16.4598 11.4663 11.4663 11.8574 11.8574 11.9578 11.9578 12.2699 12.2699 12.5974 12.5974 12.7886 12.7886 13.8218 13.8218 15.5135 15.5135 16.6106 16.6106 16.9993 16.9993 17.0536 17.0536 17.6158 17.6158 17.6667 17.6667 k = 0.5000 0.2173 0.4819 ( 3908 PWs) bands (ev): -68.9362 -68.9362 -40.6002 -40.6002 -40.5344 -40.5344 -37.7410 -37.7410 -33.2666 -33.2666 -33.2652 -33.2652 -17.3161 -17.3161 -17.1976 -17.1976 -16.7023 -16.7023 -16.6336 -16.6336 -16.5110 -16.5110 -16.4574 -16.4574 11.4012 11.4012 11.8314 11.8314 11.9255 11.9255 12.2438 12.2438 12.6152 12.6152 12.8208 12.8208 13.7851 13.7851 15.5162 15.5162 16.6202 16.6202 17.0401 17.0401 17.0935 17.0935 17.6166 17.6166 17.6407 17.6407 k = 0.5000 0.2173 0.4647 ( 3908 PWs) bands (ev): -68.9363 -68.9363 -40.6021 -40.6021 -40.5341 -40.5341 -37.7405 -37.7405 -33.2655 -33.2655 -33.2647 -33.2647 -17.3158 -17.3158 -17.1932 -17.1932 -16.7000 -16.7000 -16.6333 -16.6333 -16.5078 -16.5078 -16.4549 -16.4549 11.3358 11.3358 11.8023 11.8023 11.8973 11.8973 12.2174 12.2174 12.6341 12.6341 12.8541 12.8541 13.7483 13.7483 15.5191 15.5191 16.6283 16.6283 17.0421 17.0421 17.1722 17.1722 17.5693 17.5693 17.6594 17.6594 k = 0.5000 0.2173 0.4475 ( 3910 PWs) bands (ev): -68.9364 -68.9364 -40.6040 -40.6040 -40.5338 -40.5338 -37.7400 -37.7400 -33.2649 -33.2649 -33.2638 -33.2638 -17.3155 -17.3155 -17.1888 -17.1888 -16.6979 -16.6979 -16.6328 -16.6328 -16.5049 -16.5049 -16.4524 -16.4524 11.2708 11.2708 11.7707 11.7707 11.8726 11.8726 12.1906 12.1906 12.6537 12.6537 12.8881 12.8881 13.7117 13.7117 15.5224 15.5224 16.6352 16.6352 17.0409 17.0409 17.2542 17.2542 17.5221 17.5221 17.6724 17.6724 k = 0.5000 0.2173 0.4302 ( 3914 PWs) bands (ev): -68.9366 -68.9366 -40.6058 -40.6058 -40.5335 -40.5335 -37.7394 -37.7394 -33.2645 -33.2645 -33.2627 -33.2627 -17.3152 -17.3152 -17.1845 -17.1845 -16.6960 -16.6960 -16.6321 -16.6321 -16.5023 -16.5023 -16.4498 -16.4498 11.2066 11.2066 11.7376 11.7376 11.8507 11.8507 12.1637 12.1637 12.6740 12.6740 12.9224 12.9224 13.6754 13.6754 15.5261 15.5261 16.6413 16.6413 17.0386 17.0386 17.3366 17.3366 17.4755 17.4755 17.6770 17.6770 k = 0.5000 0.2173 0.4130 ( 3922 PWs) bands (ev): -68.9367 -68.9367 -40.6076 -40.6076 -40.5332 -40.5332 -37.7390 -37.7390 -33.2642 -33.2642 -33.2617 -33.2617 -17.3149 -17.3149 -17.1802 -17.1802 -16.6943 -16.6943 -16.6312 -16.6312 -16.5000 -16.5000 -16.4471 -16.4471 11.1437 11.1437 11.7039 11.7039 11.8308 11.8308 12.1366 12.1366 12.6946 12.6946 12.9567 12.9567 13.6394 13.6394 15.5301 15.5301 16.6467 16.6467 17.0359 17.0359 17.4174 17.4174 17.4311 17.4311 17.6718 17.6718 k = 0.5000 0.2173 0.3958 ( 3924 PWs) bands (ev): -68.9368 -68.9368 -40.6093 -40.6093 -40.5329 -40.5329 -37.7385 -37.7385 -33.2639 -33.2639 -33.2606 -33.2606 -17.3146 -17.3146 -17.1760 -17.1760 -16.6929 -16.6929 -16.6301 -16.6301 -16.4980 -16.4980 -16.4444 -16.4444 11.0823 11.0823 11.6702 11.6702 11.8124 11.8124 12.1095 12.1095 12.7155 12.7155 12.9906 12.9906 13.6041 13.6041 15.5344 15.5344 16.6517 16.6517 17.0326 17.0326 17.3844 17.3844 17.5002 17.5002 17.6565 17.6565 k = 0.5000 0.2173 0.3786 ( 3926 PWs) bands (ev): -68.9370 -68.9370 -40.6110 -40.6110 -40.5327 -40.5327 -37.7380 -37.7380 -33.2636 -33.2636 -33.2595 -33.2595 -17.3143 -17.3143 -17.1718 -17.1718 -16.6917 -16.6917 -16.6287 -16.6287 -16.4962 -16.4962 -16.4416 -16.4416 11.0227 11.0227 11.6371 11.6371 11.7951 11.7951 12.0825 12.0825 12.7366 12.7366 13.0240 13.0240 13.5695 13.5695 15.5391 15.5391 16.6564 16.6564 17.0290 17.0290 17.3405 17.3405 17.5796 17.5796 17.6320 17.6320 k = 0.5000 0.2173 0.3614 ( 3930 PWs) bands (ev): -68.9371 -68.9371 -40.6127 -40.6127 -40.5324 -40.5324 -37.7375 -37.7375 -33.2634 -33.2634 -33.2585 -33.2585 -17.3140 -17.3140 -17.1678 -17.1678 -16.6907 -16.6907 -16.6271 -16.6271 -16.4947 -16.4947 -16.4388 -16.4388 10.9651 10.9651 11.6047 11.6047 11.7787 11.7787 12.0557 12.0557 12.7576 12.7576 13.0565 13.0565 13.5360 13.5360 15.5440 15.5440 16.6609 16.6609 17.0249 17.0249 17.2976 17.2976 17.5996 17.5996 17.6569 17.6569 k = 0.5000 0.2173 0.3442 ( 3922 PWs) bands (ev): -68.9372 -68.9372 -40.6143 -40.6143 -40.5321 -40.5321 -37.7370 -37.7370 -33.2631 -33.2631 -33.2574 -33.2574 -17.3137 -17.3137 -17.1638 -17.1638 -16.6899 -16.6899 -16.6253 -16.6253 -16.4934 -16.4934 -16.4361 -16.4361 10.9095 10.9095 11.5733 11.5733 11.7633 11.7633 12.0292 12.0292 12.7784 12.7784 13.0876 13.0876 13.5040 13.5040 15.5492 15.5492 16.6652 16.6652 17.0205 17.0205 17.2558 17.2558 17.5615 17.5615 17.7304 17.7304 k = 0.5000 0.2173 0.3270 ( 3922 PWs) bands (ev): -68.9373 -68.9373 -40.6158 -40.6158 -40.5318 -40.5318 -37.7366 -37.7366 -33.2628 -33.2628 -33.2564 -33.2564 -17.3134 -17.3134 -17.1600 -17.1600 -16.6894 -16.6894 -16.6234 -16.6234 -16.4923 -16.4923 -16.4333 -16.4333 10.8562 10.8562 11.5431 11.5431 11.7487 11.7487 12.0032 12.0032 12.7990 12.7990 13.1170 13.1170 13.4739 13.4739 15.5546 15.5546 16.6695 16.6695 17.0158 17.0158 17.2152 17.2152 17.5193 17.5193 17.7993 17.7993 k = 0.5000 0.2173 0.3098 ( 3920 PWs) bands (ev): -68.9374 -68.9374 -40.6173 -40.6173 -40.5316 -40.5316 -37.7362 -37.7362 -33.2625 -33.2625 -33.2555 -33.2555 -17.3131 -17.3131 -17.1563 -17.1563 -16.6890 -16.6890 -16.6213 -16.6213 -16.4914 -16.4914 -16.4306 -16.4306 10.8052 10.8052 11.5141 11.5141 11.7350 11.7350 11.9777 11.9777 12.8192 12.8192 13.1438 13.1438 13.4466 13.4466 15.5602 15.5602 16.6738 16.6738 17.0108 17.0108 17.1759 17.1759 17.4744 17.4744 17.8622 17.8622 k = 0.5000 0.2173 0.2926 ( 3920 PWs) bands (ev): -68.9375 -68.9375 -40.6187 -40.6187 -40.5314 -40.5314 -37.7358 -37.7358 -33.2623 -33.2623 -33.2546 -33.2546 -17.3128 -17.3128 -17.1526 -17.1526 -16.6888 -16.6888 -16.6192 -16.6192 -16.4907 -16.4907 -16.4279 -16.4279 10.7566 10.7566 11.4864 11.4864 11.7220 11.7220 11.9528 11.9528 12.8388 12.8388 13.1671 13.1671 13.4229 13.4229 15.5660 15.5660 16.6781 16.6781 17.0056 17.0056 17.1380 17.1380 17.4283 17.4283 17.9178 17.9178 k = 0.5000 0.2173 0.2754 ( 3936 PWs) bands (ev): -68.9377 -68.9377 -40.6201 -40.6201 -40.5311 -40.5311 -37.7355 -37.7355 -33.2621 -33.2621 -33.2538 -33.2538 -17.3125 -17.3125 -17.1492 -17.1492 -16.6888 -16.6888 -16.6169 -16.6169 -16.4902 -16.4902 -16.4253 -16.4253 10.7105 10.7105 11.4602 11.4602 11.7100 11.7100 11.9288 11.9288 12.8578 12.8578 13.1852 13.1852 13.4047 13.4047 15.5718 15.5718 16.6823 16.6823 17.0002 17.0002 17.1016 17.1016 17.3818 17.3818 17.9652 17.9652 k = 0.5000 0.2173 0.2581 ( 3934 PWs) bands (ev): -68.9377 -68.9377 -40.6213 -40.6213 -40.5309 -40.5309 -37.7351 -37.7351 -33.2619 -33.2619 -33.2530 -33.2530 -17.3122 -17.3122 -17.1458 -17.1458 -16.6888 -16.6888 -16.6147 -16.6147 -16.4898 -16.4898 -16.4228 -16.4228 10.6670 10.6670 11.4353 11.4353 11.6988 11.6988 11.9055 11.9055 12.8760 12.8760 13.1963 13.1963 13.3937 13.3937 15.5777 15.5777 16.6866 16.6866 16.9947 16.9947 17.0668 17.0668 17.3356 17.3356 18.0041 18.0041 k = 0.5000 0.2173 0.2409 ( 3934 PWs) bands (ev): -68.9378 -68.9378 -40.6225 -40.6225 -40.5307 -40.5307 -37.7347 -37.7347 -33.2617 -33.2617 -33.2522 -33.2522 -17.3120 -17.3120 -17.1426 -17.1426 -16.6890 -16.6890 -16.6124 -16.6124 -16.4896 -16.4896 -16.4203 -16.4203 10.6261 10.6261 11.4119 11.4119 11.6884 11.6884 11.8832 11.8832 12.8932 12.8932 13.1991 13.1991 13.3913 13.3913 15.5836 15.5836 16.6908 16.6908 16.9890 16.9890 17.0338 17.0338 17.2905 17.2905 18.0349 18.0349 k = 0.5000 0.2173 0.2237 ( 3936 PWs) bands (ev): -68.9379 -68.9379 -40.6237 -40.6237 -40.5305 -40.5305 -37.7344 -37.7344 -33.2615 -33.2615 -33.2515 -33.2515 -17.3117 -17.3117 -17.1396 -17.1396 -16.6892 -16.6892 -16.6101 -16.6101 -16.4894 -16.4894 -16.4180 -16.4180 10.5878 10.5878 11.3900 11.3900 11.6789 11.6789 11.8620 11.8620 12.9094 12.9094 13.1944 13.1944 13.3969 13.3969 15.5895 15.5895 16.6949 16.6949 16.9828 16.9828 17.0030 17.0030 17.2470 17.2470 18.0586 18.0586 k = 0.5000 0.2173 0.2065 ( 3932 PWs) bands (ev): -68.9380 -68.9380 -40.6247 -40.6247 -40.5303 -40.5303 -37.7341 -37.7341 -33.2613 -33.2613 -33.2508 -33.2508 -17.3115 -17.3115 -17.1368 -17.1368 -16.6895 -16.6895 -16.6079 -16.6079 -16.4893 -16.4893 -16.4159 -16.4159 10.5523 10.5523 11.3697 11.3697 11.6703 11.6703 11.8418 11.8418 12.9242 12.9242 13.1844 13.1844 13.4083 13.4083 15.5952 15.5952 16.6990 16.6990 16.9699 16.9699 16.9808 16.9808 17.2053 17.2053 18.0763 18.0763 k = 0.5000 0.2173 0.1893 ( 3936 PWs) bands (ev): -68.9381 -68.9381 -40.6257 -40.6257 -40.5301 -40.5301 -37.7339 -37.7339 -33.2611 -33.2611 -33.2502 -33.2502 -17.3112 -17.3112 -17.1341 -17.1341 -16.6898 -16.6898 -16.6058 -16.6058 -16.4894 -16.4894 -16.4138 -16.4138 10.5195 10.5195 11.3509 11.3509 11.6626 11.6626 11.8229 11.8229 12.9376 12.9376 13.1717 13.1717 13.4230 13.4230 15.6008 15.6008 16.7029 16.7029 16.9440 16.9440 16.9737 16.9737 17.1660 17.1660 18.0893 18.0893 k = 0.5000 0.2173 0.1721 ( 3932 PWs) bands (ev): -68.9381 -68.9381 -40.6266 -40.6266 -40.5300 -40.5300 -37.7336 -37.7336 -33.2610 -33.2610 -33.2496 -33.2496 -17.3110 -17.3110 -17.1317 -17.1317 -16.6901 -16.6901 -16.6038 -16.6038 -16.4894 -16.4894 -16.4120 -16.4120 10.4894 10.4894 11.3337 11.3337 11.6557 11.6557 11.8052 11.8052 12.9492 12.9492 13.1583 13.1583 13.4391 13.4391 15.6061 15.6061 16.7067 16.7067 16.9187 16.9187 16.9680 16.9680 17.1293 17.1293 18.0987 18.0987 k = 0.5000 0.2173 0.1549 ( 3924 PWs) bands (ev): -68.9382 -68.9382 -40.6275 -40.6275 -40.5298 -40.5298 -37.7333 -37.7333 -33.2608 -33.2608 -33.2491 -33.2491 -17.3108 -17.3108 -17.1294 -17.1294 -16.6904 -16.6904 -16.6018 -16.6018 -16.4896 -16.4896 -16.4102 -16.4102 10.4621 10.4621 11.3181 11.3181 11.6497 11.6497 11.7888 11.7888 12.9590 12.9590 13.1456 13.1456 13.4554 13.4554 15.6112 15.6112 16.7102 16.7102 16.8953 16.8953 16.9627 16.9627 17.0956 17.0956 18.1054 18.1054 k = 0.5000 0.2173 0.1377 ( 3932 PWs) bands (ev): -68.9383 -68.9383 -40.6282 -40.6282 -40.5297 -40.5297 -37.7332 -37.7332 -33.2607 -33.2607 -33.2487 -33.2487 -17.3106 -17.3106 -17.1274 -17.1274 -16.6908 -16.6908 -16.6001 -16.6001 -16.4897 -16.4897 -16.4087 -16.4087 10.4377 10.4377 11.3040 11.3040 11.6445 11.6445 11.7739 11.7739 12.9666 12.9666 13.1344 13.1344 13.4711 13.4711 15.6159 15.6159 16.7136 16.7136 16.8740 16.8740 16.9576 16.9576 17.0650 17.0650 18.1101 18.1101 k = 0.5000 0.2173 0.1205 ( 3940 PWs) bands (ev): -68.9383 -68.9383 -40.6289 -40.6289 -40.5296 -40.5296 -37.7330 -37.7330 -33.2606 -33.2606 -33.2483 -33.2483 -17.3105 -17.3105 -17.1255 -17.1255 -16.6911 -16.6911 -16.5984 -16.5984 -16.4899 -16.4899 -16.4073 -16.4073 10.4160 10.4160 11.2916 11.2916 11.6401 11.6401 11.7604 11.7604 12.9721 12.9721 13.1253 13.1253 13.4857 13.4857 15.6201 15.6201 16.7166 16.7166 16.8550 16.8550 16.9526 16.9526 17.0379 17.0379 18.1133 18.1133 k = 0.5000 0.2173 0.1033 ( 3936 PWs) bands (ev): -68.9384 -68.9384 -40.6294 -40.6294 -40.5295 -40.5295 -37.7328 -37.7328 -33.2605 -33.2605 -33.2479 -33.2479 -17.3103 -17.3103 -17.1239 -17.1239 -16.6914 -16.6914 -16.5970 -16.5970 -16.4901 -16.4901 -16.4060 -16.4060 10.3973 10.3973 11.2809 11.2809 11.6365 11.6365 11.7485 11.7485 12.9755 12.9755 13.1185 13.1185 13.4989 13.4989 15.6240 15.6240 16.7194 16.7194 16.8384 16.8384 16.9477 16.9477 17.0145 17.0145 18.1155 18.1155 k = 0.5000 0.2173 0.0860 ( 3944 PWs) bands (ev): -68.9384 -68.9384 -40.6299 -40.6299 -40.5294 -40.5294 -37.7327 -37.7327 -33.2604 -33.2604 -33.2476 -33.2476 -17.3102 -17.3102 -17.1226 -17.1226 -16.6917 -16.6917 -16.5958 -16.5958 -16.4902 -16.4902 -16.4050 -16.4050 10.3814 10.3814 11.2717 11.2717 11.6337 11.6337 11.7382 11.7382 12.9770 12.9770 13.1138 13.1138 13.5104 13.5104 15.6273 15.6273 16.7218 16.7218 16.8241 16.8241 16.9427 16.9427 16.9953 16.9953 18.1169 18.1169 k = 0.5000 0.2173 0.0688 ( 3952 PWs) bands (ev): -68.9384 -68.9384 -40.6303 -40.6303 -40.5293 -40.5293 -37.7326 -37.7326 -33.2604 -33.2604 -33.2474 -33.2474 -17.3101 -17.3101 -17.1214 -17.1214 -16.6919 -16.6919 -16.5947 -16.5947 -16.4904 -16.4904 -16.4042 -16.4042 10.3683 10.3683 11.2643 11.2643 11.6315 11.6315 11.7296 11.7296 12.9772 12.9772 13.1109 13.1109 13.5200 13.5200 15.6301 15.6301 16.7239 16.7239 16.8123 16.8123 16.9374 16.9374 16.9805 16.9805 18.1177 18.1177 k = 0.5000 0.2173 0.0516 ( 3952 PWs) bands (ev): -68.9384 -68.9384 -40.6306 -40.6306 -40.5292 -40.5292 -37.7325 -37.7325 -33.2603 -33.2603 -33.2472 -33.2472 -17.3100 -17.3100 -17.1206 -17.1206 -16.6921 -16.6921 -16.5939 -16.5939 -16.4905 -16.4905 -16.4035 -16.4035 10.3582 10.3582 11.2584 11.2584 11.6298 11.6298 11.7228 11.7228 12.9766 12.9766 13.1094 13.1094 13.5276 13.5276 15.6323 15.6323 16.7255 16.7255 16.8030 16.8030 16.9321 16.9321 16.9701 16.9701 18.1182 18.1182 k = 0.5000 0.2173 0.0344 ( 3952 PWs) bands (ev): -68.9385 -68.9385 -40.6309 -40.6309 -40.5292 -40.5292 -37.7325 -37.7325 -33.2603 -33.2603 -33.2471 -33.2471 -17.3099 -17.3099 -17.1199 -17.1199 -16.6922 -16.6922 -16.5933 -16.5933 -16.4906 -16.4906 -16.4030 -16.4030 10.3509 10.3509 11.2543 11.2543 11.6287 11.6287 11.7178 11.7178 12.9757 12.9757 13.1086 13.1086 13.5331 13.5331 15.6339 15.6339 16.7268 16.7268 16.7963 16.7963 16.9273 16.9273 16.9635 16.9635 18.1185 18.1185 k = 0.5000 0.2173 0.0172 ( 3960 PWs) bands (ev): -68.9385 -68.9385 -40.6310 -40.6310 -40.5292 -40.5292 -37.7325 -37.7325 -33.2603 -33.2603 -33.2470 -33.2470 -17.3099 -17.3099 -17.1195 -17.1195 -16.6923 -16.6923 -16.5929 -16.5929 -16.4907 -16.4907 -16.4027 -16.4027 10.3466 10.3466 11.2518 11.2518 11.6281 11.6281 11.7148 11.7148 12.9751 12.9751 13.1084 13.1084 13.5364 13.5364 15.6349 15.6349 16.7276 16.7276 16.7923 16.7923 16.9240 16.9240 16.9600 16.9600 18.1186 18.1186 k = 0.5000 0.2173-0.0000 ( 3956 PWs) bands (ev): -68.9385 -68.9385 -40.6310 -40.6310 -40.5292 -40.5292 -37.7324 -37.7324 -33.2603 -33.2603 -33.2470 -33.2470 -17.3099 -17.3099 -17.1194 -17.1194 -16.6923 -16.6923 -16.5928 -16.5928 -16.4907 -16.4907 -16.4026 -16.4026 10.3451 10.3451 11.2510 11.2510 11.6279 11.6279 11.7138 11.7138 12.9748 12.9748 13.1083 13.1083 13.5376 13.5376 15.6352 15.6352 16.7278 16.7278 16.7909 16.7909 16.9228 16.9228 16.9589 16.9589 18.1187 18.1187 k = 0.0000 0.0000 1.2543 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2746 -33.2746 -17.3402 -17.3402 -17.3220 -17.3220 -16.7375 -16.7375 -16.7104 -16.7104 -16.5794 -16.5794 -16.5541 -16.5541 11.1242 11.1242 11.8504 11.8504 12.0452 12.0452 12.3484 12.3484 14.4227 14.4227 14.5139 14.5139 14.8324 14.8324 15.6403 15.6403 15.6446 15.6446 15.6892 15.6892 17.5342 17.5342 18.3705 18.3705 19.1498 19.1498 k = 0.0156 0.0068 1.2543 ( 3916 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2746 -33.2746 -17.3402 -17.3402 -17.3220 -17.3220 -16.7375 -16.7375 -16.7104 -16.7104 -16.5794 -16.5794 -16.5541 -16.5541 11.1245 11.1245 11.8504 11.8504 12.0452 12.0452 12.3479 12.3479 14.4225 14.4225 14.5145 14.5145 14.8332 14.8332 15.5994 15.5994 15.6600 15.6600 15.7163 15.7163 17.5285 17.5285 18.3712 18.3712 19.1491 19.1491 k = 0.0312 0.0136 1.2543 ( 3914 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3220 -17.3220 -16.7375 -16.7375 -16.7104 -16.7104 -16.5795 -16.5795 -16.5541 -16.5541 11.1252 11.1252 11.8502 11.8502 12.0453 12.0453 12.3464 12.3464 14.4221 14.4221 14.5160 14.5160 14.8355 14.8355 15.5520 15.5520 15.6622 15.6622 15.7663 15.7663 17.5118 17.5118 18.3732 18.3732 19.1470 19.1470 k = 0.0469 0.0204 1.2543 ( 3914 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3220 -17.3220 -16.7376 -16.7376 -16.7103 -16.7103 -16.5795 -16.5795 -16.5541 -16.5541 11.1264 11.1264 11.8500 11.8500 12.0453 12.0453 12.3440 12.3440 14.4214 14.4214 14.5185 14.5185 14.8394 14.8394 15.5052 15.5052 15.6625 15.6625 15.8208 15.8208 17.4847 17.4847 18.3764 18.3764 19.1437 19.1437 k = 0.0625 0.0272 1.2543 ( 3914 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3220 -17.3220 -16.7376 -16.7376 -16.7103 -16.7103 -16.5795 -16.5795 -16.5541 -16.5541 11.1280 11.1280 11.8497 11.8497 12.0454 12.0454 12.3407 12.3407 14.4206 14.4206 14.5219 14.5219 14.8448 14.8448 15.4596 15.4596 15.6624 15.6624 15.8777 15.8777 17.4483 17.4483 18.3807 18.3807 19.1391 19.1391 k = 0.0781 0.0340 1.2543 ( 3904 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3220 -17.3220 -16.7376 -16.7376 -16.7102 -16.7102 -16.5796 -16.5796 -16.5540 -16.5540 11.1300 11.1300 11.8493 11.8493 12.0455 12.0455 12.3368 12.3368 14.4196 14.4196 14.5258 14.5258 14.8517 14.8517 15.4156 15.4156 15.6622 15.6622 15.9363 15.9363 17.4038 17.4038 18.3861 18.3861 19.1335 19.1335 k = 0.0938 0.0407 1.2543 ( 3904 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7377 -16.7377 -16.7102 -16.7102 -16.5797 -16.5797 -16.5540 -16.5540 11.1322 11.1322 11.8488 11.8488 12.0456 12.0456 12.3322 12.3322 14.4186 14.4186 14.5302 14.5302 14.8602 14.8602 15.3731 15.3731 15.6619 15.6619 15.9966 15.9966 17.3525 17.3525 18.3924 18.3924 19.1270 19.1270 k = 0.1094 0.0475 1.2543 ( 3896 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3092 -33.3092 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7377 -16.7377 -16.7101 -16.7101 -16.5797 -16.5797 -16.5539 -16.5539 11.1347 11.1347 11.8482 11.8482 12.0458 12.0458 12.3273 12.3273 14.4176 14.4176 14.5349 14.5349 14.8701 14.8701 15.3324 15.3324 15.6615 15.6615 16.0584 16.0584 17.2957 17.2957 18.3993 18.3993 19.1198 19.1198 k = 0.1250 0.0543 1.2543 ( 3904 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7378 -16.7378 -16.7100 -16.7100 -16.5798 -16.5798 -16.5539 -16.5539 11.1373 11.1373 11.8477 11.8477 12.0460 12.0460 12.3222 12.3222 14.4166 14.4166 14.5397 14.5397 14.8816 14.8816 15.2933 15.2933 15.6611 15.6611 16.1216 16.1216 17.2345 17.2345 18.4066 18.4066 19.1121 19.1121 k = 0.1406 0.0611 1.2543 ( 3910 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7378 -16.7378 -16.7099 -16.7099 -16.5799 -16.5799 -16.5538 -16.5538 11.1399 11.1399 11.8471 11.8471 12.0462 12.0462 12.3171 12.3171 14.4157 14.4157 14.5444 14.5444 14.8946 14.8946 15.2560 15.2560 15.6607 15.6607 16.1862 16.1862 17.1698 17.1698 18.4142 18.4142 19.1043 19.1043 k = 0.1562 0.0679 1.2543 ( 3910 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7379 -16.7379 -16.7099 -16.7099 -16.5800 -16.5800 -16.5538 -16.5538 11.1424 11.1424 11.8464 11.8464 12.0464 12.0464 12.3122 12.3122 14.4149 14.4149 14.5489 14.5489 14.9091 14.9091 15.2204 15.2204 15.6603 15.6603 16.2521 16.2521 17.1025 17.1025 18.4216 18.4216 19.0966 19.0966 k = 0.1719 0.0747 1.2543 ( 3918 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7379 -16.7379 -16.7098 -16.7098 -16.5800 -16.5800 -16.5537 -16.5537 11.1447 11.1447 11.8459 11.8459 12.0467 12.0467 12.3076 12.3076 14.4142 14.4142 14.5530 14.5530 14.9249 14.9249 15.1867 15.1867 15.6599 15.6599 16.3191 16.3191 17.0333 17.0333 18.4286 18.4286 19.0894 19.0894 k = 0.1875 0.0815 1.2543 ( 3910 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7379 -16.7379 -16.7098 -16.7098 -16.5801 -16.5801 -16.5537 -16.5537 11.1468 11.1468 11.8453 11.8453 12.0469 12.0469 12.3036 12.3036 14.4137 14.4137 14.5565 14.5565 14.9420 14.9420 15.1550 15.1550 15.6596 15.6596 16.3871 16.3871 16.9629 16.9629 18.4348 18.4348 19.0829 19.0829 k = 0.2031 0.0883 1.2543 ( 3908 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7603 -37.7603 -33.3093 -33.3093 -33.2745 -33.2745 -17.3402 -17.3402 -17.3221 -17.3221 -16.7380 -16.7380 -16.7097 -16.7097 -16.5802 -16.5802 -16.5536 -16.5536 11.1485 11.1485 11.8449 11.8449 12.0471 12.0471 12.3003 12.3003 14.4132 14.4132 14.5594 14.5594 14.9601 14.9601 15.1255 15.1255 15.6593 15.6593 16.4559 16.4559 16.8919 16.8919 18.4401 18.4401 19.0775 19.0775 k = 0.2188 0.0951 1.2543 ( 3912 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3401 -17.3401 -17.3221 -17.3221 -16.7380 -16.7380 -16.7097 -16.7097 -16.5802 -16.5802 -16.5536 -16.5536 11.1497 11.1497 11.8446 11.8446 12.0472 12.0472 12.2979 12.2979 14.4129 14.4129 14.5615 14.5615 14.9784 14.9784 15.0990 15.0990 15.6591 15.6591 16.5248 16.5248 16.8212 16.8212 18.4440 18.4440 19.0734 19.0734 k = 0.2344 0.1019 1.2543 ( 3922 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2746 -33.2746 -17.3401 -17.3401 -17.3222 -17.3222 -16.7380 -16.7380 -16.7097 -16.7097 -16.5802 -16.5802 -16.5536 -16.5536 11.1505 11.1505 11.8444 11.8444 12.0473 12.0473 12.2964 12.2964 14.4127 14.4127 14.5628 14.5628 14.9948 14.9948 15.0777 15.0777 15.6589 15.6589 16.5920 16.5920 16.7529 16.7529 18.4465 18.4465 19.0708 19.0708 k = 0.2500 0.1087 1.2543 ( 3920 PWs) bands (ev): -68.9313 -68.9313 -40.5426 -40.5426 -40.5365 -40.5365 -37.7604 -37.7604 -33.3093 -33.3093 -33.2745 -33.2745 -17.3401 -17.3401 -17.3222 -17.3222 -16.7380 -16.7380 -16.7097 -16.7097 -16.5803 -16.5803 -16.5535 -16.5535 11.1508 11.1508 11.8443 11.8443 12.0474 12.0474 12.2959 12.2959 14.4126 14.4126 14.5632 14.5632 15.0025 15.0025 15.0684 15.0684 15.6589 15.6589 16.6365 16.6365 16.7080 16.7080 18.4473 18.4473 19.0699 19.0699 Writing output data file Ti2Pd.save init_run : 0.18s CPU 0.38s WALL ( 1 calls) electrons : 362.02s CPU 366.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 362.00s CPU 366.69s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 440 calls) cegterg : 341.39s CPU 344.93s WALL ( 674 calls) Called by sum_band: Called by *egterg: h_psi : 258.00s CPU 260.85s WALL ( 12098 calls) s_psi : 3.27s CPU 3.44s WALL ( 12098 calls) g_psi : 0.38s CPU 0.39s WALL ( 10984 calls) cdiaghg : 72.11s CPU 72.78s WALL ( 11424 calls) cegterg:over : 9.58s CPU 9.34s WALL ( 10984 calls) cegterg:upda : 7.30s CPU 7.49s WALL ( 10984 calls) cegterg:last : 5.11s CPU 5.25s WALL ( 2400 calls) cdiaghg:chol : 4.27s CPU 4.11s WALL ( 11424 calls) cdiaghg:inve : 2.48s CPU 2.57s WALL ( 11424 calls) cdiaghg:para : 4.37s CPU 4.40s WALL ( 22848 calls) Called by h_psi: h_psi:vloc : 243.43s CPU 246.32s WALL ( 12098 calls) h_psi:vnl : 14.21s CPU 14.17s WALL ( 12098 calls) add_vuspsi : 7.30s CPU 7.30s WALL ( 12098 calls) General routines calbec : 6.86s CPU 6.83s WALL ( 12098 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 223.42s CPU 226.15s WALL ( 1315084 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.25s WALL ( 880 calls) Parallel routines fft_scatter : 69.38s CPU 70.74s WALL ( 1315107 calls) PWSCF : 6m22.18s CPU 7m15.23s WALL This run was terminated on: 21:29:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=