Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./TaP.save/ 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 56 37 11 861 459 80 Max 57 38 12 862 474 82 Sum 2021 1339 411 31011 16793 2897 bravais-lattice index = 14 lattice parameter (alat) = 11.6456 a.u. unit-cell volume = 426.1659 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.645600 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.854007 celldm(5)= -0.854007 celldm(6)= 0.708014 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.708014 0.706199 0.000000 ) a(3) = ( -0.854007 -0.353099 0.382090 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.002570 1.308591 ) b(2) = ( 0.000000 1.416032 1.308591 ) b(3) = ( 0.000000 0.000000 2.617181 ) PseudoPot. # 1 for Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ta 13.00 180.94790 Ta( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.8540069 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.3530993 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.3540069 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.3530993 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0000000 0.0000000 0.0195312), wk = 0.0024631 k( 3) = ( 0.0000000 0.0000000 0.0390624), wk = 0.0024631 k( 4) = ( 0.0000000 0.0000000 0.0585936), wk = 0.0024631 k( 5) = ( 0.0000000 0.0000000 0.0781248), wk = 0.0024631 k( 6) = ( 0.0000000 0.0000000 0.0976560), wk = 0.0024631 k( 7) = ( 0.0000000 0.0000000 0.1171872), wk = 0.0024631 k( 8) = ( 0.0000000 0.0000000 0.1367184), wk = 0.0024631 k( 9) = ( 0.0000000 0.0000000 0.1562496), wk = 0.0024631 k( 10) = ( 0.0000000 0.0000000 0.1757808), wk = 0.0024631 k( 11) = ( 0.0000000 0.0000000 0.1953120), wk = 0.0024631 k( 12) = ( 0.0000000 0.0000000 0.2148432), wk = 0.0024631 k( 13) = ( 0.0000000 0.0000000 0.2343744), wk = 0.0024631 k( 14) = ( 0.0000000 0.0000000 0.2539057), wk = 0.0024631 k( 15) = ( 0.0000000 0.0000000 0.2734368), wk = 0.0024631 k( 16) = ( 0.0000000 0.0000000 0.2929681), wk = 0.0024631 k( 17) = ( 0.0000000 0.0000000 0.3124993), wk = 0.0024631 k( 18) = ( 0.0000000 0.0000000 0.3320305), wk = 0.0024631 k( 19) = ( 0.0000000 0.0000000 0.3515617), wk = 0.0024631 k( 20) = ( 0.0000000 0.0000000 0.3710929), wk = 0.0024631 k( 21) = ( 0.0000000 0.0000000 0.3906241), wk = 0.0024631 k( 22) = ( 0.0000000 0.0000000 0.4101553), wk = 0.0024631 k( 23) = ( 0.0000000 0.0000000 0.4296865), wk = 0.0024631 k( 24) = ( 0.0000000 0.0000000 0.4492177), wk = 0.0024631 k( 25) = ( 0.0000000 0.0000000 0.4687489), wk = 0.0024631 k( 26) = ( 0.0000000 0.0000000 0.4882801), wk = 0.0024631 k( 27) = ( 0.0000000 0.0000000 0.5078113), wk = 0.0024631 k( 28) = ( 0.0000000 0.0000000 0.5273425), wk = 0.0024631 k( 29) = ( 0.0000000 0.0000000 0.5468737), wk = 0.0024631 k( 30) = ( 0.0000000 0.0000000 0.5664049), wk = 0.0024631 k( 31) = ( 0.0000000 0.0000000 0.5859361), wk = 0.0024631 k( 32) = ( 0.0000000 0.0000000 0.6054673), wk = 0.0024631 k( 33) = ( 0.0000000 0.0000000 0.6249985), wk = 0.0024631 k( 34) = ( 0.0000000 0.0000000 0.6445297), wk = 0.0024631 k( 35) = ( 0.0000000 0.0000000 0.6640609), wk = 0.0024631 k( 36) = ( 0.0000000 0.0000000 0.6835921), wk = 0.0024631 k( 37) = ( 0.0000000 0.0000000 0.7031233), wk = 0.0024631 k( 38) = ( 0.0000000 0.0000000 0.7226545), wk = 0.0024631 k( 39) = ( 0.0000000 0.0000000 0.7421857), wk = 0.0024631 k( 40) = ( 0.0000000 0.0000000 0.7617170), wk = 0.0024631 k( 41) = ( 0.0000000 0.0000000 0.7812481), wk = 0.0024631 k( 42) = ( 0.0000000 0.0000000 0.8007794), wk = 0.0024631 k( 43) = ( 0.0000000 0.0000000 0.8203106), wk = 0.0024631 k( 44) = ( 0.0000000 0.0000000 0.8398418), wk = 0.0024631 k( 45) = ( 0.0000000 0.0000000 0.8593730), wk = 0.0024631 k( 46) = ( 0.0000000 0.0000000 0.8789042), wk = 0.0024631 k( 47) = ( 0.0000000 0.0000000 0.8984354), wk = 0.0024631 k( 48) = ( 0.0000000 0.0000000 0.9179666), wk = 0.0024631 k( 49) = ( 0.0000000 0.0000000 0.9374978), wk = 0.0024631 k( 50) = ( 0.0000000 0.0000000 0.9570290), wk = 0.0024631 k( 51) = ( 0.0000000 0.0000000 0.9765602), wk = 0.0024631 k( 52) = ( 0.0000000 0.0000000 0.9960914), wk = 0.0024631 k( 53) = ( 0.0000000 0.0000000 1.0156226), wk = 0.0024631 k( 54) = ( 0.0000000 0.0000000 1.0351538), wk = 0.0024631 k( 55) = ( 0.0000000 0.0000000 1.0546850), wk = 0.0024631 k( 56) = ( 0.0000000 0.0000000 1.0742162), wk = 0.0024631 k( 57) = ( 0.0000000 0.0000000 1.0937474), wk = 0.0024631 k( 58) = ( 0.0000000 0.0000000 1.1132786), wk = 0.0024631 k( 59) = ( 0.0000000 0.0000000 1.1328098), wk = 0.0024631 k( 60) = ( 0.0000000 0.0000000 1.1523410), wk = 0.0024631 k( 61) = ( 0.0000000 0.0000000 1.1718722), wk = 0.0024631 k( 62) = ( 0.0000000 0.0000000 1.1914034), wk = 0.0024631 k( 63) = ( 0.0000000 0.0000000 1.2109346), wk = 0.0024631 k( 64) = ( 0.0000000 0.0000000 1.2304658), wk = 0.0024631 k( 65) = ( 0.0000000 0.0000000 1.2499970), wk = 0.0024631 k( 66) = ( 0.0000000 0.0000000 1.2695282), wk = 0.0024631 k( 67) = ( 0.0000000 0.0000000 1.2890594), wk = 0.0024631 k( 68) = ( 0.0000000 0.0000000 1.3085906), wk = 0.0024631 k( 69) = ( 0.0000000 0.0000000 1.3085906), wk = 0.0024631 k( 70) = ( -0.0071230 0.0172276 1.3085906), wk = 0.0024631 k( 71) = ( -0.0142459 0.0344552 1.3085906), wk = 0.0024631 k( 72) = ( -0.0213688 0.0516827 1.3085906), wk = 0.0024631 k( 73) = ( -0.0284918 0.0689103 1.3085906), wk = 0.0024631 k( 74) = ( -0.0356147 0.0861379 1.3085906), wk = 0.0024631 k( 75) = ( -0.0427377 0.1033655 1.3085906), wk = 0.0024631 k( 76) = ( -0.0427377 0.1033655 1.3085906), wk = 0.0024631 k( 77) = ( -0.0479339 0.1159329 1.2949914), wk = 0.0024631 k( 78) = ( -0.0531300 0.1285004 1.2813920), wk = 0.0024631 k( 79) = ( -0.0583262 0.1410678 1.2677927), wk = 0.0024631 k( 80) = ( -0.0635223 0.1536353 1.2541934), wk = 0.0024631 k( 81) = ( -0.0687185 0.1662027 1.2405942), wk = 0.0024631 k( 82) = ( -0.0739147 0.1787702 1.2269948), wk = 0.0024631 k( 83) = ( -0.0791108 0.1913376 1.2133955), wk = 0.0024631 k( 84) = ( -0.0843070 0.2039051 1.1997963), wk = 0.0024631 k( 85) = ( -0.0895032 0.2164725 1.1861970), wk = 0.0024631 k( 86) = ( -0.0946993 0.2290400 1.1725976), wk = 0.0024631 k( 87) = ( -0.0998955 0.2416075 1.1589983), wk = 0.0024631 k( 88) = ( -0.1050916 0.2541749 1.1453991), wk = 0.0024631 k( 89) = ( -0.1102878 0.2667423 1.1317998), wk = 0.0024631 k( 90) = ( -0.1154840 0.2793098 1.1182004), wk = 0.0024631 k( 91) = ( -0.1206801 0.2918773 1.1046012), wk = 0.0024631 k( 92) = ( -0.1258763 0.3044447 1.0910019), wk = 0.0024631 k( 93) = ( -0.1310725 0.3170122 1.0774026), wk = 0.0024631 k( 94) = ( -0.1362686 0.3295796 1.0638032), wk = 0.0024631 k( 95) = ( -0.1414648 0.3421471 1.0502040), wk = 0.0024631 k( 96) = ( -0.1466609 0.3547145 1.0366047), wk = 0.0024631 k( 97) = ( -0.1518571 0.3672820 1.0230053), wk = 0.0024631 k( 98) = ( -0.1570533 0.3798494 1.0094060), wk = 0.0024631 k( 99) = ( -0.1622494 0.3924169 0.9958068), wk = 0.0024631 k( 100) = ( -0.1674456 0.4049843 0.9822075), wk = 0.0024631 k( 101) = ( -0.1726418 0.4175518 0.9686081), wk = 0.0024631 k( 102) = ( -0.1778379 0.4301192 0.9550089), wk = 0.0024631 k( 103) = ( -0.1830341 0.4426867 0.9414096), wk = 0.0024631 k( 104) = ( -0.1882302 0.4552541 0.9278103), wk = 0.0024631 k( 105) = ( -0.1934264 0.4678216 0.9142109), wk = 0.0024631 k( 106) = ( -0.1986226 0.4803890 0.9006117), wk = 0.0024631 k( 107) = ( -0.2038187 0.4929565 0.8870124), wk = 0.0024631 k( 108) = ( -0.2090149 0.5055239 0.8734131), wk = 0.0024631 k( 109) = ( -0.2142110 0.5180914 0.8598138), wk = 0.0024631 k( 110) = ( -0.2194072 0.5306588 0.8462145), wk = 0.0024631 k( 111) = ( -0.2246034 0.5432263 0.8326152), wk = 0.0024631 k( 112) = ( -0.2297995 0.5557937 0.8190159), wk = 0.0024631 k( 113) = ( -0.2349957 0.5683612 0.8054166), wk = 0.0024631 k( 114) = ( -0.2401919 0.5809287 0.7918173), wk = 0.0024631 k( 115) = ( -0.2453880 0.5934961 0.7782180), wk = 0.0024631 k( 116) = ( -0.2505842 0.6060635 0.7646186), wk = 0.0024631 k( 117) = ( -0.2557804 0.6186310 0.7510194), wk = 0.0024631 k( 118) = ( -0.2609765 0.6311985 0.7374201), wk = 0.0024631 k( 119) = ( -0.2661727 0.6437659 0.7238208), wk = 0.0024631 k( 120) = ( -0.2713688 0.6563333 0.7102215), wk = 0.0024631 k( 121) = ( -0.2713688 0.6563333 0.7102215), wk = 0.0024631 k( 122) = ( -0.2661502 0.6437116 0.6965634), wk = 0.0024631 k( 123) = ( -0.2609316 0.6310898 0.6829053), wk = 0.0024631 k( 124) = ( -0.2557129 0.6184680 0.6692471), wk = 0.0024631 k( 125) = ( -0.2504943 0.6058462 0.6555890), wk = 0.0024631 k( 126) = ( -0.2452757 0.5932244 0.6419309), wk = 0.0024631 k( 127) = ( -0.2400570 0.5806026 0.6282728), wk = 0.0024631 k( 128) = ( -0.2348384 0.5679808 0.6146147), wk = 0.0024631 k( 129) = ( -0.2296198 0.5553590 0.6009566), wk = 0.0024631 k( 130) = ( -0.2244012 0.5427372 0.5872985), wk = 0.0024631 k( 131) = ( -0.2191825 0.5301154 0.5736404), wk = 0.0024631 k( 132) = ( -0.2139639 0.5174936 0.5599823), wk = 0.0024631 k( 133) = ( -0.2087453 0.5048718 0.5463242), wk = 0.0024631 k( 134) = ( -0.2035266 0.4922500 0.5326661), wk = 0.0024631 k( 135) = ( -0.1983080 0.4796282 0.5190080), wk = 0.0024631 k( 136) = ( -0.1930894 0.4670064 0.5053499), wk = 0.0024631 k( 137) = ( -0.1878707 0.4543846 0.4916918), wk = 0.0024631 k( 138) = ( -0.1826521 0.4417628 0.4780337), wk = 0.0024631 k( 139) = ( -0.1774335 0.4291410 0.4643756), wk = 0.0024631 k( 140) = ( -0.1722148 0.4165192 0.4507175), wk = 0.0024631 k( 141) = ( -0.1669962 0.4038974 0.4370594), wk = 0.0024631 k( 142) = ( -0.1617776 0.3912757 0.4234013), wk = 0.0024631 k( 143) = ( -0.1565590 0.3786539 0.4097432), wk = 0.0024631 k( 144) = ( -0.1513403 0.3660321 0.3960851), wk = 0.0024631 k( 145) = ( -0.1461217 0.3534103 0.3824270), wk = 0.0024631 k( 146) = ( -0.1409031 0.3407885 0.3687688), wk = 0.0024631 k( 147) = ( -0.1356844 0.3281667 0.3551107), wk = 0.0024631 k( 148) = ( -0.1304658 0.3155449 0.3414526), wk = 0.0024631 k( 149) = ( -0.1252472 0.3029231 0.3277945), wk = 0.0024631 k( 150) = ( -0.1200285 0.2903013 0.3141364), wk = 0.0024631 k( 151) = ( -0.1148099 0.2776795 0.3004783), wk = 0.0024631 k( 152) = ( -0.1095913 0.2650577 0.2868202), wk = 0.0024631 k( 153) = ( -0.1043726 0.2524359 0.2731621), wk = 0.0024631 k( 154) = ( -0.0991540 0.2398141 0.2595040), wk = 0.0024631 k( 155) = ( -0.0939354 0.2271923 0.2458459), wk = 0.0024631 k( 156) = ( -0.0887167 0.2145705 0.2321878), wk = 0.0024631 k( 157) = ( -0.0834981 0.2019487 0.2185297), wk = 0.0024631 k( 158) = ( -0.0782795 0.1893269 0.2048716), wk = 0.0024631 k( 159) = ( -0.0730608 0.1767051 0.1912135), wk = 0.0024631 k( 160) = ( -0.0678422 0.1640833 0.1775554), wk = 0.0024631 k( 161) = ( -0.0626236 0.1514615 0.1638973), wk = 0.0024631 k( 162) = ( -0.0574050 0.1388398 0.1502392), wk = 0.0024631 k( 163) = ( -0.0521863 0.1262180 0.1365811), wk = 0.0024631 k( 164) = ( -0.0469677 0.1135961 0.1229229), wk = 0.0024631 k( 165) = ( -0.0417491 0.1009744 0.1092648), wk = 0.0024631 k( 166) = ( -0.0365304 0.0883526 0.0956067), wk = 0.0024631 k( 167) = ( -0.0313118 0.0757308 0.0819486), wk = 0.0024631 k( 168) = ( -0.0260932 0.0631090 0.0682905), wk = 0.0024631 k( 169) = ( -0.0208745 0.0504872 0.0546324), wk = 0.0024631 k( 170) = ( -0.0156559 0.0378654 0.0409743), wk = 0.0024631 k( 171) = ( -0.0104373 0.0252436 0.0273162), wk = 0.0024631 k( 172) = ( -0.0052186 0.0126218 0.0136581), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 175) = ( 0.0178571 0.0073832 0.0000000), wk = 0.0024631 k( 176) = ( 0.0357143 0.0147665 0.0000000), wk = 0.0024631 k( 177) = ( 0.0535714 0.0221497 0.0000000), wk = 0.0024631 k( 178) = ( 0.0714286 0.0295330 0.0000000), wk = 0.0024631 k( 179) = ( 0.0892857 0.0369162 0.0000000), wk = 0.0024631 k( 180) = ( 0.1071429 0.0442995 0.0000000), wk = 0.0024631 k( 181) = ( 0.1250000 0.0516827 0.0000000), wk = 0.0024631 k( 182) = ( 0.1428571 0.0590660 0.0000000), wk = 0.0024631 k( 183) = ( 0.1607143 0.0664492 0.0000000), wk = 0.0024631 k( 184) = ( 0.1785714 0.0738325 0.0000000), wk = 0.0024631 k( 185) = ( 0.1964286 0.0812157 0.0000000), wk = 0.0024631 k( 186) = ( 0.2142857 0.0885990 0.0000000), wk = 0.0024631 k( 187) = ( 0.2321429 0.0959822 0.0000000), wk = 0.0024631 k( 188) = ( 0.2500000 0.1033655 0.0000000), wk = 0.0024631 k( 189) = ( 0.2678571 0.1107487 0.0000000), wk = 0.0024631 k( 190) = ( 0.2857143 0.1181320 0.0000000), wk = 0.0024631 k( 191) = ( 0.3035714 0.1255152 0.0000000), wk = 0.0024631 k( 192) = ( 0.3214286 0.1328985 0.0000000), wk = 0.0024631 k( 193) = ( 0.3392857 0.1402817 0.0000000), wk = 0.0024631 k( 194) = ( 0.3571429 0.1476650 0.0000000), wk = 0.0024631 k( 195) = ( 0.3750000 0.1550482 0.0000000), wk = 0.0024631 k( 196) = ( 0.3928571 0.1624315 0.0000000), wk = 0.0024631 k( 197) = ( 0.4107143 0.1698147 0.0000000), wk = 0.0024631 k( 198) = ( 0.4285714 0.1771980 0.0000000), wk = 0.0024631 k( 199) = ( 0.4464286 0.1845812 0.0000000), wk = 0.0024631 k( 200) = ( 0.4642857 0.1919645 0.0000000), wk = 0.0024631 k( 201) = ( 0.4821429 0.1993477 0.0000000), wk = 0.0024631 k( 202) = ( 0.5000000 0.2067310 0.0000000), wk = 0.0024631 k( 203) = ( 0.5000000 0.2067310 0.0000000), wk = 0.0024631 k( 204) = ( 0.4948038 0.2192984 0.0135993), wk = 0.0024631 k( 205) = ( 0.4896077 0.2318659 0.0271986), wk = 0.0024631 k( 206) = ( 0.4844115 0.2444333 0.0407979), wk = 0.0024631 k( 207) = ( 0.4792153 0.2570008 0.0543972), wk = 0.0024631 k( 208) = ( 0.4740192 0.2695682 0.0679965), wk = 0.0024631 k( 209) = ( 0.4688230 0.2821357 0.0815958), wk = 0.0024631 k( 210) = ( 0.4636269 0.2947031 0.0951951), wk = 0.0024631 k( 211) = ( 0.4584307 0.3072706 0.1087944), wk = 0.0024631 k( 212) = ( 0.4532345 0.3198380 0.1223937), wk = 0.0024631 k( 213) = ( 0.4480384 0.3324055 0.1359930), wk = 0.0024631 k( 214) = ( 0.4428422 0.3449729 0.1495923), wk = 0.0024631 k( 215) = ( 0.4376461 0.3575404 0.1631916), wk = 0.0024631 k( 216) = ( 0.4324499 0.3701078 0.1767909), wk = 0.0024631 k( 217) = ( 0.4272537 0.3826753 0.1903902), wk = 0.0024631 k( 218) = ( 0.4220576 0.3952427 0.2039895), wk = 0.0024631 k( 219) = ( 0.4168614 0.4078102 0.2175888), wk = 0.0024631 k( 220) = ( 0.4116652 0.4203776 0.2311881), wk = 0.0024631 k( 221) = ( 0.4064691 0.4329451 0.2447874), wk = 0.0024631 k( 222) = ( 0.4012729 0.4455125 0.2583867), wk = 0.0024631 k( 223) = ( 0.3960767 0.4580800 0.2719860), wk = 0.0024631 k( 224) = ( 0.3908806 0.4706475 0.2855853), wk = 0.0024631 k( 225) = ( 0.3856844 0.4832149 0.2991846), wk = 0.0024631 k( 226) = ( 0.3804883 0.4957823 0.3127839), wk = 0.0024631 k( 227) = ( 0.3752921 0.5083498 0.3263832), wk = 0.0024631 k( 228) = ( 0.3700959 0.5209173 0.3399825), wk = 0.0024631 k( 229) = ( 0.3648998 0.5334847 0.3535818), wk = 0.0024631 k( 230) = ( 0.3597036 0.5460522 0.3671811), wk = 0.0024631 k( 231) = ( 0.3545075 0.5586196 0.3807804), wk = 0.0024631 k( 232) = ( 0.3493113 0.5711871 0.3943797), wk = 0.0024631 k( 233) = ( 0.3441151 0.5837545 0.4079790), wk = 0.0024631 k( 234) = ( 0.3389190 0.5963220 0.4215783), wk = 0.0024631 k( 235) = ( 0.3337228 0.6088894 0.4351776), wk = 0.0024631 k( 236) = ( 0.3285266 0.6214569 0.4487769), wk = 0.0024631 k( 237) = ( 0.3233305 0.6340243 0.4623762), wk = 0.0024631 k( 238) = ( 0.3181343 0.6465918 0.4759755), wk = 0.0024631 k( 239) = ( 0.3129382 0.6591592 0.4895748), wk = 0.0024631 k( 240) = ( 0.3077420 0.6717267 0.5031741), wk = 0.0024631 k( 241) = ( 0.3025458 0.6842941 0.5167734), wk = 0.0024631 k( 242) = ( 0.2973497 0.6968616 0.5303727), wk = 0.0024631 k( 243) = ( 0.2921535 0.7094290 0.5439720), wk = 0.0024631 k( 244) = ( 0.2869573 0.7219965 0.5575713), wk = 0.0024631 k( 245) = ( 0.2817612 0.7345639 0.5711706), wk = 0.0024631 k( 246) = ( 0.2765650 0.7471314 0.5847699), wk = 0.0024631 k( 247) = ( 0.2713688 0.7596988 0.5983692), wk = 0.0024631 k( 248) = ( 0.2713688 0.7596988 0.5983692), wk = 0.0024631 k( 249) = ( 0.2532776 0.7562533 0.6020976), wk = 0.0024631 k( 250) = ( 0.2351863 0.7528078 0.6058260), wk = 0.0024631 k( 251) = ( 0.2170951 0.7493623 0.6095544), wk = 0.0024631 k( 252) = ( 0.1990038 0.7459168 0.6132828), wk = 0.0024631 k( 253) = ( 0.1809126 0.7424713 0.6170112), wk = 0.0024631 k( 254) = ( 0.1628213 0.7390257 0.6207396), wk = 0.0024631 k( 255) = ( 0.1447300 0.7355802 0.6244681), wk = 0.0024631 k( 256) = ( 0.1266388 0.7321347 0.6281965), wk = 0.0024631 k( 257) = ( 0.1085475 0.7286892 0.6319249), wk = 0.0024631 k( 258) = ( 0.0904563 0.7252437 0.6356533), wk = 0.0024631 k( 259) = ( 0.0723650 0.7217982 0.6393817), wk = 0.0024631 k( 260) = ( 0.0542738 0.7183526 0.6431101), wk = 0.0024631 k( 261) = ( 0.0361825 0.7149071 0.6468385), wk = 0.0024631 k( 262) = ( 0.0180913 0.7114616 0.6505669), wk = 0.0024631 k( 263) = ( 0.0000000 0.7080161 0.6542953), wk = 0.0024631 k( 264) = ( 0.0000000 0.7080161 0.6542953), wk = 0.0024631 k( 265) = ( 0.0052083 0.6954192 0.6679265), wk = 0.0024631 k( 266) = ( 0.0104167 0.6828223 0.6815576), wk = 0.0024631 k( 267) = ( 0.0156250 0.6702254 0.6951888), wk = 0.0024631 k( 268) = ( 0.0208333 0.6576286 0.7088199), wk = 0.0024631 k( 269) = ( 0.0260417 0.6450316 0.7224511), wk = 0.0024631 k( 270) = ( 0.0312500 0.6324348 0.7360822), wk = 0.0024631 k( 271) = ( 0.0364583 0.6198379 0.7497134), wk = 0.0024631 k( 272) = ( 0.0416667 0.6072410 0.7633446), wk = 0.0024631 k( 273) = ( 0.0468750 0.5946441 0.7769757), wk = 0.0024631 k( 274) = ( 0.0520833 0.5820472 0.7906068), wk = 0.0024631 k( 275) = ( 0.0572917 0.5694503 0.8042380), wk = 0.0024631 k( 276) = ( 0.0625000 0.5568534 0.8178692), wk = 0.0024631 k( 277) = ( 0.0677083 0.5442566 0.8315003), wk = 0.0024631 k( 278) = ( 0.0729167 0.5316597 0.8451315), wk = 0.0024631 k( 279) = ( 0.0781250 0.5190628 0.8587626), wk = 0.0024631 k( 280) = ( 0.0833333 0.5064659 0.8723938), wk = 0.0024631 k( 281) = ( 0.0885417 0.4938690 0.8860249), wk = 0.0024631 k( 282) = ( 0.0937500 0.4812721 0.8996561), wk = 0.0024631 k( 283) = ( 0.0989583 0.4686752 0.9132872), wk = 0.0024631 k( 284) = ( 0.1041667 0.4560783 0.9269184), wk = 0.0024631 k( 285) = ( 0.1093750 0.4434815 0.9405495), wk = 0.0024631 k( 286) = ( 0.1145833 0.4308846 0.9541807), wk = 0.0024631 k( 287) = ( 0.1197917 0.4182877 0.9678118), wk = 0.0024631 k( 288) = ( 0.1250000 0.4056908 0.9814430), wk = 0.0024631 k( 289) = ( 0.1302083 0.3930939 0.9950741), wk = 0.0024631 k( 290) = ( 0.1354167 0.3804970 1.0087053), wk = 0.0024631 k( 291) = ( 0.1406250 0.3679001 1.0223364), wk = 0.0024631 k( 292) = ( 0.1458333 0.3553032 1.0359676), wk = 0.0024631 k( 293) = ( 0.1510417 0.3427063 1.0495988), wk = 0.0024631 k( 294) = ( 0.1562500 0.3301095 1.0632299), wk = 0.0024631 k( 295) = ( 0.1614583 0.3175126 1.0768610), wk = 0.0024631 k( 296) = ( 0.1666667 0.3049157 1.0904922), wk = 0.0024631 k( 297) = ( 0.1718750 0.2923188 1.1041234), wk = 0.0024631 k( 298) = ( 0.1770833 0.2797219 1.1177545), wk = 0.0024631 k( 299) = ( 0.1822917 0.2671250 1.1313857), wk = 0.0024631 k( 300) = ( 0.1875000 0.2545281 1.1450168), wk = 0.0024631 k( 301) = ( 0.1927083 0.2419313 1.1586480), wk = 0.0024631 k( 302) = ( 0.1979167 0.2293343 1.1722791), wk = 0.0024631 k( 303) = ( 0.2031250 0.2167375 1.1859103), wk = 0.0024631 k( 304) = ( 0.2083333 0.2041406 1.1995414), wk = 0.0024631 k( 305) = ( 0.2135417 0.1915437 1.2131726), wk = 0.0024631 k( 306) = ( 0.2187500 0.1789468 1.2268037), wk = 0.0024631 k( 307) = ( 0.2239583 0.1663499 1.2404349), wk = 0.0024631 k( 308) = ( 0.2291667 0.1537530 1.2540660), wk = 0.0024631 k( 309) = ( 0.2343750 0.1411561 1.2676972), wk = 0.0024631 k( 310) = ( 0.2395833 0.1285593 1.2813283), wk = 0.0024631 k( 311) = ( 0.2447917 0.1159624 1.2949595), wk = 0.0024631 k( 312) = ( 0.2500000 0.1033655 1.3085906), wk = 0.0024631 k( 313) = ( 0.2500000 0.1033655 1.3085906), wk = 0.0024631 k( 314) = ( 0.2666667 0.1102565 1.3011338), wk = 0.0024631 k( 315) = ( 0.2833333 0.1171475 1.2936770), wk = 0.0024631 k( 316) = ( 0.3000000 0.1240386 1.2862202), wk = 0.0024631 k( 317) = ( 0.3166667 0.1309296 1.2787634), wk = 0.0024631 k( 318) = ( 0.3333333 0.1378206 1.2713065), wk = 0.0024631 k( 319) = ( 0.3500000 0.1447117 1.2638497), wk = 0.0024631 k( 320) = ( 0.3666667 0.1516027 1.2563929), wk = 0.0024631 k( 321) = ( 0.3833333 0.1584937 1.2489361), wk = 0.0024631 k( 322) = ( 0.4000000 0.1653848 1.2414793), wk = 0.0024631 k( 323) = ( 0.4166667 0.1722758 1.2340225), wk = 0.0024631 k( 324) = ( 0.4333333 0.1791668 1.2265656), wk = 0.0024631 k( 325) = ( 0.4500000 0.1860579 1.2191088), wk = 0.0024631 k( 326) = ( 0.4666667 0.1929489 1.2116520), wk = 0.0024631 k( 327) = ( 0.4833333 0.1998399 1.2041952), wk = 0.0024631 k( 328) = ( 0.5000000 0.2067310 1.1967384), wk = 0.0024631 k( 329) = ( 0.5000000 0.2067310 1.1967384), wk = 0.0024631 k( 330) = ( 0.5000000 0.2067310 1.1774361), wk = 0.0024631 k( 331) = ( 0.5000000 0.2067310 1.1581339), wk = 0.0024631 k( 332) = ( 0.5000000 0.2067310 1.1388317), wk = 0.0024631 k( 333) = ( 0.5000000 0.2067310 1.1195294), wk = 0.0024631 k( 334) = ( 0.5000000 0.2067310 1.1002272), wk = 0.0024631 k( 335) = ( 0.5000000 0.2067310 1.0809250), wk = 0.0024631 k( 336) = ( 0.5000000 0.2067310 1.0616227), wk = 0.0024631 k( 337) = ( 0.5000000 0.2067310 1.0423205), wk = 0.0024631 k( 338) = ( 0.5000000 0.2067310 1.0230183), wk = 0.0024631 k( 339) = ( 0.5000000 0.2067310 1.0037161), wk = 0.0024631 k( 340) = ( 0.5000000 0.2067310 0.9844138), wk = 0.0024631 k( 341) = ( 0.5000000 0.2067310 0.9651116), wk = 0.0024631 k( 342) = ( 0.5000000 0.2067310 0.9458094), wk = 0.0024631 k( 343) = ( 0.5000000 0.2067310 0.9265071), wk = 0.0024631 k( 344) = ( 0.5000000 0.2067310 0.9072049), wk = 0.0024631 k( 345) = ( 0.5000000 0.2067310 0.8879026), wk = 0.0024631 k( 346) = ( 0.5000000 0.2067310 0.8686004), wk = 0.0024631 k( 347) = ( 0.5000000 0.2067310 0.8492982), wk = 0.0024631 k( 348) = ( 0.5000000 0.2067310 0.8299960), wk = 0.0024631 k( 349) = ( 0.5000000 0.2067310 0.8106937), wk = 0.0024631 k( 350) = ( 0.5000000 0.2067310 0.7913915), wk = 0.0024631 k( 351) = ( 0.5000000 0.2067310 0.7720893), wk = 0.0024631 k( 352) = ( 0.5000000 0.2067310 0.7527870), wk = 0.0024631 k( 353) = ( 0.5000000 0.2067310 0.7334848), wk = 0.0024631 k( 354) = ( 0.5000000 0.2067310 0.7141826), wk = 0.0024631 k( 355) = ( 0.5000000 0.2067310 0.6948803), wk = 0.0024631 k( 356) = ( 0.5000000 0.2067310 0.6755781), wk = 0.0024631 k( 357) = ( 0.5000000 0.2067310 0.6562759), wk = 0.0024631 k( 358) = ( 0.5000000 0.2067310 0.6369736), wk = 0.0024631 k( 359) = ( 0.5000000 0.2067310 0.6176714), wk = 0.0024631 k( 360) = ( 0.5000000 0.2067310 0.5983692), wk = 0.0024631 k( 361) = ( 0.5000000 0.2067310 0.5790670), wk = 0.0024631 k( 362) = ( 0.5000000 0.2067310 0.5597647), wk = 0.0024631 k( 363) = ( 0.5000000 0.2067310 0.5404625), wk = 0.0024631 k( 364) = ( 0.5000000 0.2067310 0.5211603), wk = 0.0024631 k( 365) = ( 0.5000000 0.2067310 0.5018580), wk = 0.0024631 k( 366) = ( 0.5000000 0.2067310 0.4825558), wk = 0.0024631 k( 367) = ( 0.5000000 0.2067310 0.4632536), wk = 0.0024631 k( 368) = ( 0.5000000 0.2067310 0.4439513), wk = 0.0024631 k( 369) = ( 0.5000000 0.2067310 0.4246491), wk = 0.0024631 k( 370) = ( 0.5000000 0.2067310 0.4053469), wk = 0.0024631 k( 371) = ( 0.5000000 0.2067310 0.3860446), wk = 0.0024631 k( 372) = ( 0.5000000 0.2067310 0.3667424), wk = 0.0024631 k( 373) = ( 0.5000000 0.2067310 0.3474402), wk = 0.0024631 k( 374) = ( 0.5000000 0.2067310 0.3281380), wk = 0.0024631 k( 375) = ( 0.5000000 0.2067310 0.3088357), wk = 0.0024631 k( 376) = ( 0.5000000 0.2067310 0.2895335), wk = 0.0024631 k( 377) = ( 0.5000000 0.2067310 0.2702312), wk = 0.0024631 k( 378) = ( 0.5000000 0.2067310 0.2509290), wk = 0.0024631 k( 379) = ( 0.5000000 0.2067310 0.2316268), wk = 0.0024631 k( 380) = ( 0.5000000 0.2067310 0.2123245), wk = 0.0024631 k( 381) = ( 0.5000000 0.2067310 0.1930223), wk = 0.0024631 k( 382) = ( 0.5000000 0.2067310 0.1737201), wk = 0.0024631 k( 383) = ( 0.5000000 0.2067310 0.1544179), wk = 0.0024631 k( 384) = ( 0.5000000 0.2067310 0.1351156), wk = 0.0024631 k( 385) = ( 0.5000000 0.2067310 0.1158134), wk = 0.0024631 k( 386) = ( 0.5000000 0.2067310 0.0965112), wk = 0.0024631 k( 387) = ( 0.5000000 0.2067310 0.0772089), wk = 0.0024631 k( 388) = ( 0.5000000 0.2067310 0.0579067), wk = 0.0024631 k( 389) = ( 0.5000000 0.2067310 0.0386045), wk = 0.0024631 k( 390) = ( 0.5000000 0.2067310 0.0193022), wk = 0.0024631 k( 391) = ( 0.5000000 0.2067310 0.0000000), wk = 0.0024631 k( 392) = ( 0.0000000 0.0000000 1.3085906), wk = 0.0024631 k( 393) = ( 0.0178571 0.0073832 1.3085906), wk = 0.0024631 k( 394) = ( 0.0357143 0.0147665 1.3085906), wk = 0.0024631 k( 395) = ( 0.0535714 0.0221497 1.3085906), wk = 0.0024631 k( 396) = ( 0.0714286 0.0295330 1.3085906), wk = 0.0024631 k( 397) = ( 0.0892857 0.0369162 1.3085906), wk = 0.0024631 k( 398) = ( 0.1071429 0.0442995 1.3085906), wk = 0.0024631 k( 399) = ( 0.1250000 0.0516827 1.3085906), wk = 0.0024631 k( 400) = ( 0.1428571 0.0590660 1.3085906), wk = 0.0024631 k( 401) = ( 0.1607143 0.0664492 1.3085906), wk = 0.0024631 k( 402) = ( 0.1785714 0.0738325 1.3085906), wk = 0.0024631 k( 403) = ( 0.1964286 0.0812157 1.3085906), wk = 0.0024631 k( 404) = ( 0.2142857 0.0885990 1.3085906), wk = 0.0024631 k( 405) = ( 0.2321429 0.0959822 1.3085906), wk = 0.0024631 k( 406) = ( 0.2500000 0.1033655 1.3085906), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0000000 0.0000000 0.0074627), wk = 0.0024631 k( 3) = ( 0.0000000 0.0000000 0.0149254), wk = 0.0024631 k( 4) = ( 0.0000000 0.0000000 0.0223881), wk = 0.0024631 k( 5) = ( 0.0000000 0.0000000 0.0298507), wk = 0.0024631 k( 6) = ( 0.0000000 0.0000000 0.0373134), wk = 0.0024631 k( 7) = ( 0.0000000 0.0000000 0.0447761), wk = 0.0024631 k( 8) = ( 0.0000000 0.0000000 0.0522388), wk = 0.0024631 k( 9) = ( 0.0000000 0.0000000 0.0597015), wk = 0.0024631 k( 10) = ( 0.0000000 0.0000000 0.0671642), wk = 0.0024631 k( 11) = ( 0.0000000 0.0000000 0.0746269), wk = 0.0024631 k( 12) = ( 0.0000000 0.0000000 0.0820895), wk = 0.0024631 k( 13) = ( 0.0000000 0.0000000 0.0895522), wk = 0.0024631 k( 14) = ( 0.0000000 0.0000000 0.0970149), wk = 0.0024631 k( 15) = ( 0.0000000 0.0000000 0.1044776), wk = 0.0024631 k( 16) = ( 0.0000000 0.0000000 0.1119403), wk = 0.0024631 k( 17) = ( 0.0000000 0.0000000 0.1194030), wk = 0.0024631 k( 18) = ( 0.0000000 0.0000000 0.1268657), wk = 0.0024631 k( 19) = ( 0.0000000 0.0000000 0.1343284), wk = 0.0024631 k( 20) = ( 0.0000000 0.0000000 0.1417910), wk = 0.0024631 k( 21) = ( 0.0000000 0.0000000 0.1492537), wk = 0.0024631 k( 22) = ( 0.0000000 0.0000000 0.1567164), wk = 0.0024631 k( 23) = ( 0.0000000 0.0000000 0.1641791), wk = 0.0024631 k( 24) = ( 0.0000000 0.0000000 0.1716418), wk = 0.0024631 k( 25) = ( 0.0000000 0.0000000 0.1791045), wk = 0.0024631 k( 26) = ( 0.0000000 0.0000000 0.1865672), wk = 0.0024631 k( 27) = ( 0.0000000 0.0000000 0.1940299), wk = 0.0024631 k( 28) = ( 0.0000000 0.0000000 0.2014925), wk = 0.0024631 k( 29) = ( 0.0000000 0.0000000 0.2089552), wk = 0.0024631 k( 30) = ( 0.0000000 0.0000000 0.2164179), wk = 0.0024631 k( 31) = ( 0.0000000 0.0000000 0.2238806), wk = 0.0024631 k( 32) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0024631 k( 33) = ( 0.0000000 0.0000000 0.2388060), wk = 0.0024631 k( 34) = ( 0.0000000 0.0000000 0.2462687), wk = 0.0024631 k( 35) = ( 0.0000000 0.0000000 0.2537313), wk = 0.0024631 k( 36) = ( 0.0000000 0.0000000 0.2611940), wk = 0.0024631 k( 37) = ( 0.0000000 0.0000000 0.2686567), wk = 0.0024631 k( 38) = ( 0.0000000 0.0000000 0.2761194), wk = 0.0024631 k( 39) = ( 0.0000000 0.0000000 0.2835821), wk = 0.0024631 k( 40) = ( 0.0000000 0.0000000 0.2910448), wk = 0.0024631 k( 41) = ( 0.0000000 0.0000000 0.2985075), wk = 0.0024631 k( 42) = ( 0.0000000 0.0000000 0.3059701), wk = 0.0024631 k( 43) = ( 0.0000000 0.0000000 0.3134328), wk = 0.0024631 k( 44) = ( 0.0000000 0.0000000 0.3208955), wk = 0.0024631 k( 45) = ( 0.0000000 0.0000000 0.3283582), wk = 0.0024631 k( 46) = ( 0.0000000 0.0000000 0.3358209), wk = 0.0024631 k( 47) = ( 0.0000000 0.0000000 0.3432836), wk = 0.0024631 k( 48) = ( 0.0000000 0.0000000 0.3507463), wk = 0.0024631 k( 49) = ( 0.0000000 0.0000000 0.3582090), wk = 0.0024631 k( 50) = ( 0.0000000 0.0000000 0.3656716), wk = 0.0024631 k( 51) = ( 0.0000000 0.0000000 0.3731343), wk = 0.0024631 k( 52) = ( 0.0000000 0.0000000 0.3805970), wk = 0.0024631 k( 53) = ( 0.0000000 0.0000000 0.3880597), wk = 0.0024631 k( 54) = ( 0.0000000 0.0000000 0.3955224), wk = 0.0024631 k( 55) = ( 0.0000000 0.0000000 0.4029851), wk = 0.0024631 k( 56) = ( 0.0000000 0.0000000 0.4104478), wk = 0.0024631 k( 57) = ( 0.0000000 0.0000000 0.4179104), wk = 0.0024631 k( 58) = ( 0.0000000 0.0000000 0.4253731), wk = 0.0024631 k( 59) = ( 0.0000000 0.0000000 0.4328358), wk = 0.0024631 k( 60) = ( 0.0000000 0.0000000 0.4402985), wk = 0.0024631 k( 61) = ( 0.0000000 0.0000000 0.4477612), wk = 0.0024631 k( 62) = ( 0.0000000 0.0000000 0.4552239), wk = 0.0024631 k( 63) = ( 0.0000000 0.0000000 0.4626866), wk = 0.0024631 k( 64) = ( 0.0000000 0.0000000 0.4701493), wk = 0.0024631 k( 65) = ( 0.0000000 0.0000000 0.4776119), wk = 0.0024631 k( 66) = ( 0.0000000 0.0000000 0.4850746), wk = 0.0024631 k( 67) = ( 0.0000000 0.0000000 0.4925373), wk = 0.0024631 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 70) = ( -0.0071230 0.0071230 0.5000000), wk = 0.0024631 k( 71) = ( -0.0142459 0.0142459 0.5000000), wk = 0.0024631 k( 72) = ( -0.0213688 0.0213688 0.5000000), wk = 0.0024631 k( 73) = ( -0.0284918 0.0284918 0.5000000), wk = 0.0024631 k( 74) = ( -0.0356147 0.0356147 0.5000000), wk = 0.0024631 k( 75) = ( -0.0427377 0.0427377 0.5000000), wk = 0.0024631 k( 76) = ( -0.0427377 0.0427377 0.5000000), wk = 0.0024631 k( 77) = ( -0.0479339 0.0479338 0.4948038), wk = 0.0024631 k( 78) = ( -0.0531300 0.0531300 0.4896077), wk = 0.0024631 k( 79) = ( -0.0583262 0.0583262 0.4844115), wk = 0.0024631 k( 80) = ( -0.0635223 0.0635223 0.4792153), wk = 0.0024631 k( 81) = ( -0.0687185 0.0687185 0.4740192), wk = 0.0024631 k( 82) = ( -0.0739147 0.0739147 0.4688230), wk = 0.0024631 k( 83) = ( -0.0791108 0.0791108 0.4636269), wk = 0.0024631 k( 84) = ( -0.0843070 0.0843070 0.4584307), wk = 0.0024631 k( 85) = ( -0.0895032 0.0895032 0.4532345), wk = 0.0024631 k( 86) = ( -0.0946993 0.0946993 0.4480384), wk = 0.0024631 k( 87) = ( -0.0998955 0.0998955 0.4428422), wk = 0.0024631 k( 88) = ( -0.1050916 0.1050916 0.4376460), wk = 0.0024631 k( 89) = ( -0.1102878 0.1102878 0.4324499), wk = 0.0024631 k( 90) = ( -0.1154840 0.1154840 0.4272537), wk = 0.0024631 k( 91) = ( -0.1206801 0.1206801 0.4220576), wk = 0.0024631 k( 92) = ( -0.1258763 0.1258763 0.4168614), wk = 0.0024631 k( 93) = ( -0.1310725 0.1310725 0.4116652), wk = 0.0024631 k( 94) = ( -0.1362686 0.1362686 0.4064691), wk = 0.0024631 k( 95) = ( -0.1414648 0.1414648 0.4012729), wk = 0.0024631 k( 96) = ( -0.1466609 0.1466609 0.3960767), wk = 0.0024631 k( 97) = ( -0.1518571 0.1518571 0.3908806), wk = 0.0024631 k( 98) = ( -0.1570533 0.1570533 0.3856844), wk = 0.0024631 k( 99) = ( -0.1622494 0.1622494 0.3804883), wk = 0.0024631 k( 100) = ( -0.1674456 0.1674456 0.3752921), wk = 0.0024631 k( 101) = ( -0.1726418 0.1726418 0.3700959), wk = 0.0024631 k( 102) = ( -0.1778379 0.1778379 0.3648998), wk = 0.0024631 k( 103) = ( -0.1830341 0.1830341 0.3597036), wk = 0.0024631 k( 104) = ( -0.1882302 0.1882302 0.3545075), wk = 0.0024631 k( 105) = ( -0.1934264 0.1934264 0.3493113), wk = 0.0024631 k( 106) = ( -0.1986226 0.1986226 0.3441151), wk = 0.0024631 k( 107) = ( -0.2038187 0.2038187 0.3389190), wk = 0.0024631 k( 108) = ( -0.2090149 0.2090149 0.3337228), wk = 0.0024631 k( 109) = ( -0.2142110 0.2142110 0.3285266), wk = 0.0024631 k( 110) = ( -0.2194072 0.2194072 0.3233305), wk = 0.0024631 k( 111) = ( -0.2246034 0.2246034 0.3181343), wk = 0.0024631 k( 112) = ( -0.2297995 0.2297995 0.3129382), wk = 0.0024631 k( 113) = ( -0.2349957 0.2349957 0.3077420), wk = 0.0024631 k( 114) = ( -0.2401919 0.2401919 0.3025458), wk = 0.0024631 k( 115) = ( -0.2453880 0.2453880 0.2973497), wk = 0.0024631 k( 116) = ( -0.2505842 0.2505842 0.2921535), wk = 0.0024631 k( 117) = ( -0.2557804 0.2557804 0.2869573), wk = 0.0024631 k( 118) = ( -0.2609765 0.2609765 0.2817612), wk = 0.0024631 k( 119) = ( -0.2661727 0.2661727 0.2765650), wk = 0.0024631 k( 120) = ( -0.2713688 0.2713688 0.2713688), wk = 0.0024631 k( 121) = ( -0.2713688 0.2713688 0.2713688), wk = 0.0024631 k( 122) = ( -0.2661502 0.2661502 0.2661502), wk = 0.0024631 k( 123) = ( -0.2609316 0.2609316 0.2609316), wk = 0.0024631 k( 124) = ( -0.2557129 0.2557129 0.2557129), wk = 0.0024631 k( 125) = ( -0.2504943 0.2504943 0.2504943), wk = 0.0024631 k( 126) = ( -0.2452757 0.2452757 0.2452757), wk = 0.0024631 k( 127) = ( -0.2400570 0.2400570 0.2400571), wk = 0.0024631 k( 128) = ( -0.2348384 0.2348384 0.2348384), wk = 0.0024631 k( 129) = ( -0.2296198 0.2296198 0.2296198), wk = 0.0024631 k( 130) = ( -0.2244012 0.2244012 0.2244012), wk = 0.0024631 k( 131) = ( -0.2191825 0.2191825 0.2191825), wk = 0.0024631 k( 132) = ( -0.2139639 0.2139639 0.2139639), wk = 0.0024631 k( 133) = ( -0.2087453 0.2087453 0.2087453), wk = 0.0024631 k( 134) = ( -0.2035266 0.2035266 0.2035266), wk = 0.0024631 k( 135) = ( -0.1983080 0.1983080 0.1983080), wk = 0.0024631 k( 136) = ( -0.1930894 0.1930894 0.1930894), wk = 0.0024631 k( 137) = ( -0.1878707 0.1878707 0.1878707), wk = 0.0024631 k( 138) = ( -0.1826521 0.1826521 0.1826521), wk = 0.0024631 k( 139) = ( -0.1774335 0.1774335 0.1774335), wk = 0.0024631 k( 140) = ( -0.1722148 0.1722148 0.1722148), wk = 0.0024631 k( 141) = ( -0.1669962 0.1669962 0.1669962), wk = 0.0024631 k( 142) = ( -0.1617776 0.1617776 0.1617776), wk = 0.0024631 k( 143) = ( -0.1565590 0.1565589 0.1565590), wk = 0.0024631 k( 144) = ( -0.1513403 0.1513403 0.1513403), wk = 0.0024631 k( 145) = ( -0.1461217 0.1461217 0.1461217), wk = 0.0024631 k( 146) = ( -0.1409031 0.1409030 0.1409031), wk = 0.0024631 k( 147) = ( -0.1356844 0.1356844 0.1356844), wk = 0.0024631 k( 148) = ( -0.1304658 0.1304658 0.1304658), wk = 0.0024631 k( 149) = ( -0.1252472 0.1252472 0.1252472), wk = 0.0024631 k( 150) = ( -0.1200285 0.1200285 0.1200285), wk = 0.0024631 k( 151) = ( -0.1148099 0.1148099 0.1148099), wk = 0.0024631 k( 152) = ( -0.1095913 0.1095913 0.1095913), wk = 0.0024631 k( 153) = ( -0.1043726 0.1043726 0.1043726), wk = 0.0024631 k( 154) = ( -0.0991540 0.0991540 0.0991540), wk = 0.0024631 k( 155) = ( -0.0939354 0.0939354 0.0939354), wk = 0.0024631 k( 156) = ( -0.0887167 0.0887167 0.0887167), wk = 0.0024631 k( 157) = ( -0.0834981 0.0834981 0.0834981), wk = 0.0024631 k( 158) = ( -0.0782795 0.0782795 0.0782795), wk = 0.0024631 k( 159) = ( -0.0730608 0.0730608 0.0730608), wk = 0.0024631 k( 160) = ( -0.0678422 0.0678422 0.0678422), wk = 0.0024631 k( 161) = ( -0.0626236 0.0626236 0.0626236), wk = 0.0024631 k( 162) = ( -0.0574050 0.0574049 0.0574050), wk = 0.0024631 k( 163) = ( -0.0521863 0.0521863 0.0521863), wk = 0.0024631 k( 164) = ( -0.0469677 0.0469677 0.0469677), wk = 0.0024631 k( 165) = ( -0.0417491 0.0417491 0.0417491), wk = 0.0024631 k( 166) = ( -0.0365304 0.0365304 0.0365304), wk = 0.0024631 k( 167) = ( -0.0313118 0.0313118 0.0313118), wk = 0.0024631 k( 168) = ( -0.0260932 0.0260932 0.0260932), wk = 0.0024631 k( 169) = ( -0.0208745 0.0208745 0.0208745), wk = 0.0024631 k( 170) = ( -0.0156559 0.0156559 0.0156559), wk = 0.0024631 k( 171) = ( -0.0104373 0.0104373 0.0104373), wk = 0.0024631 k( 172) = ( -0.0052186 0.0052186 0.0052186), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 175) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0024631 k( 176) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0024631 k( 177) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0024631 k( 178) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0024631 k( 179) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0024631 k( 180) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0024631 k( 181) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024631 k( 182) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0024631 k( 183) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0024631 k( 184) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0024631 k( 185) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0024631 k( 186) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0024631 k( 187) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0024631 k( 188) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024631 k( 189) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0024631 k( 190) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0024631 k( 191) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0024631 k( 192) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0024631 k( 193) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0024631 k( 194) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0024631 k( 195) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024631 k( 196) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0024631 k( 197) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0024631 k( 198) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0024631 k( 199) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0024631 k( 200) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0024631 k( 201) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0024631 k( 202) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 203) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 204) = ( 0.4948038 0.5051962 -0.4948038), wk = 0.0024631 k( 205) = ( 0.4896077 0.5103923 -0.4896077), wk = 0.0024631 k( 206) = ( 0.4844115 0.5155885 -0.4844115), wk = 0.0024631 k( 207) = ( 0.4792153 0.5207846 -0.4792153), wk = 0.0024631 k( 208) = ( 0.4740192 0.5259808 -0.4740192), wk = 0.0024631 k( 209) = ( 0.4688230 0.5311770 -0.4688230), wk = 0.0024631 k( 210) = ( 0.4636269 0.5363731 -0.4636269), wk = 0.0024631 k( 211) = ( 0.4584307 0.5415693 -0.4584307), wk = 0.0024631 k( 212) = ( 0.4532345 0.5467655 -0.4532345), wk = 0.0024631 k( 213) = ( 0.4480384 0.5519616 -0.4480384), wk = 0.0024631 k( 214) = ( 0.4428422 0.5571578 -0.4428422), wk = 0.0024631 k( 215) = ( 0.4376461 0.5623539 -0.4376461), wk = 0.0024631 k( 216) = ( 0.4324499 0.5675501 -0.4324499), wk = 0.0024631 k( 217) = ( 0.4272537 0.5727463 -0.4272537), wk = 0.0024631 k( 218) = ( 0.4220576 0.5779424 -0.4220576), wk = 0.0024631 k( 219) = ( 0.4168614 0.5831386 -0.4168614), wk = 0.0024631 k( 220) = ( 0.4116652 0.5883348 -0.4116652), wk = 0.0024631 k( 221) = ( 0.4064691 0.5935309 -0.4064691), wk = 0.0024631 k( 222) = ( 0.4012729 0.5987271 -0.4012729), wk = 0.0024631 k( 223) = ( 0.3960767 0.6039233 -0.3960767), wk = 0.0024631 k( 224) = ( 0.3908806 0.6091194 -0.3908806), wk = 0.0024631 k( 225) = ( 0.3856844 0.6143156 -0.3856844), wk = 0.0024631 k( 226) = ( 0.3804883 0.6195117 -0.3804883), wk = 0.0024631 k( 227) = ( 0.3752921 0.6247079 -0.3752921), wk = 0.0024631 k( 228) = ( 0.3700959 0.6299041 -0.3700959), wk = 0.0024631 k( 229) = ( 0.3648998 0.6351002 -0.3648998), wk = 0.0024631 k( 230) = ( 0.3597036 0.6402964 -0.3597036), wk = 0.0024631 k( 231) = ( 0.3545075 0.6454926 -0.3545074), wk = 0.0024631 k( 232) = ( 0.3493113 0.6506887 -0.3493113), wk = 0.0024631 k( 233) = ( 0.3441151 0.6558849 -0.3441151), wk = 0.0024631 k( 234) = ( 0.3389190 0.6610810 -0.3389190), wk = 0.0024631 k( 235) = ( 0.3337228 0.6662772 -0.3337228), wk = 0.0024631 k( 236) = ( 0.3285266 0.6714734 -0.3285266), wk = 0.0024631 k( 237) = ( 0.3233305 0.6766695 -0.3233305), wk = 0.0024631 k( 238) = ( 0.3181343 0.6818657 -0.3181343), wk = 0.0024631 k( 239) = ( 0.3129382 0.6870618 -0.3129382), wk = 0.0024631 k( 240) = ( 0.3077420 0.6922580 -0.3077420), wk = 0.0024631 k( 241) = ( 0.3025458 0.6974542 -0.3025458), wk = 0.0024631 k( 242) = ( 0.2973497 0.7026503 -0.2973497), wk = 0.0024631 k( 243) = ( 0.2921535 0.7078465 -0.2921535), wk = 0.0024631 k( 244) = ( 0.2869573 0.7130427 -0.2869573), wk = 0.0024631 k( 245) = ( 0.2817612 0.7182388 -0.2817612), wk = 0.0024631 k( 246) = ( 0.2765650 0.7234350 -0.2765650), wk = 0.0024631 k( 247) = ( 0.2713688 0.7286312 -0.2713688), wk = 0.0024631 k( 248) = ( 0.2713688 0.7286312 -0.2713688), wk = 0.0024631 k( 249) = ( 0.2532776 0.7133891 -0.2532776), wk = 0.0024631 k( 250) = ( 0.2351863 0.6981470 -0.2351863), wk = 0.0024631 k( 251) = ( 0.2170951 0.6829049 -0.2170951), wk = 0.0024631 k( 252) = ( 0.1990038 0.6676629 -0.1990038), wk = 0.0024631 k( 253) = ( 0.1809126 0.6524208 -0.1809126), wk = 0.0024631 k( 254) = ( 0.1628213 0.6371787 -0.1628213), wk = 0.0024631 k( 255) = ( 0.1447300 0.6219366 -0.1447301), wk = 0.0024631 k( 256) = ( 0.1266388 0.6066945 -0.1266388), wk = 0.0024631 k( 257) = ( 0.1085475 0.5914525 -0.1085475), wk = 0.0024631 k( 258) = ( 0.0904563 0.5762104 -0.0904563), wk = 0.0024631 k( 259) = ( 0.0723650 0.5609683 -0.0723650), wk = 0.0024631 k( 260) = ( 0.0542738 0.5457262 -0.0542738), wk = 0.0024631 k( 261) = ( 0.0361825 0.5304842 -0.0361825), wk = 0.0024631 k( 262) = ( 0.0180913 0.5152421 -0.0180913), wk = 0.0024631 k( 263) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 264) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 265) = ( 0.0052083 0.4947917 0.0052083), wk = 0.0024631 k( 266) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0024631 k( 267) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0024631 k( 268) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0024631 k( 269) = ( 0.0260417 0.4739583 0.0260417), wk = 0.0024631 k( 270) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0024631 k( 271) = ( 0.0364583 0.4635417 0.0364583), wk = 0.0024631 k( 272) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024631 k( 273) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0024631 k( 274) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0024631 k( 275) = ( 0.0572917 0.4427083 0.0572917), wk = 0.0024631 k( 276) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024631 k( 277) = ( 0.0677083 0.4322917 0.0677083), wk = 0.0024631 k( 278) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0024631 k( 279) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0024631 k( 280) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024631 k( 281) = ( 0.0885417 0.4114583 0.0885417), wk = 0.0024631 k( 282) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0024631 k( 283) = ( 0.0989583 0.4010417 0.0989583), wk = 0.0024631 k( 284) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0024631 k( 285) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0024631 k( 286) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0024631 k( 287) = ( 0.1197917 0.3802083 0.1197917), wk = 0.0024631 k( 288) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024631 k( 289) = ( 0.1302083 0.3697917 0.1302083), wk = 0.0024631 k( 290) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0024631 k( 291) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0024631 k( 292) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0024631 k( 293) = ( 0.1510417 0.3489583 0.1510417), wk = 0.0024631 k( 294) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0024631 k( 295) = ( 0.1614583 0.3385417 0.1614583), wk = 0.0024631 k( 296) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024631 k( 297) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0024631 k( 298) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0024631 k( 299) = ( 0.1822917 0.3177083 0.1822917), wk = 0.0024631 k( 300) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024631 k( 301) = ( 0.1927083 0.3072917 0.1927083), wk = 0.0024631 k( 302) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0024631 k( 303) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0024631 k( 304) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024631 k( 305) = ( 0.2135417 0.2864583 0.2135417), wk = 0.0024631 k( 306) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0024631 k( 307) = ( 0.2239583 0.2760417 0.2239583), wk = 0.0024631 k( 308) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0024631 k( 309) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0024631 k( 310) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0024631 k( 311) = ( 0.2447917 0.2552083 0.2447917), wk = 0.0024631 k( 312) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 k( 313) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 k( 314) = ( 0.2666667 0.2666667 0.2304841), wk = 0.0024631 k( 315) = ( 0.2833333 0.2833333 0.2109683), wk = 0.0024631 k( 316) = ( 0.3000000 0.3000000 0.1914525), wk = 0.0024631 k( 317) = ( 0.3166667 0.3166667 0.1719366), wk = 0.0024631 k( 318) = ( 0.3333333 0.3333333 0.1524208), wk = 0.0024631 k( 319) = ( 0.3500000 0.3500000 0.1329049), wk = 0.0024631 k( 320) = ( 0.3666667 0.3666667 0.1133891), wk = 0.0024631 k( 321) = ( 0.3833333 0.3833333 0.0938732), wk = 0.0024631 k( 322) = ( 0.4000000 0.4000000 0.0743574), wk = 0.0024631 k( 323) = ( 0.4166667 0.4166667 0.0548415), wk = 0.0024631 k( 324) = ( 0.4333333 0.4333333 0.0353257), wk = 0.0024631 k( 325) = ( 0.4500000 0.4500000 0.0158098), wk = 0.0024631 k( 326) = ( 0.4666667 0.4666667 -0.0037060), wk = 0.0024631 k( 327) = ( 0.4833333 0.4833333 -0.0232218), wk = 0.0024631 k( 328) = ( 0.5000000 0.5000000 -0.0427377), wk = 0.0024631 k( 329) = ( 0.5000000 0.5000000 -0.0427377), wk = 0.0024631 k( 330) = ( 0.5000000 0.5000000 -0.0501129), wk = 0.0024631 k( 331) = ( 0.5000000 0.5000000 -0.0574881), wk = 0.0024631 k( 332) = ( 0.5000000 0.5000000 -0.0648633), wk = 0.0024631 k( 333) = ( 0.5000000 0.5000000 -0.0722385), wk = 0.0024631 k( 334) = ( 0.5000000 0.5000000 -0.0796137), wk = 0.0024631 k( 335) = ( 0.5000000 0.5000000 -0.0869889), wk = 0.0024631 k( 336) = ( 0.5000000 0.5000000 -0.0943641), wk = 0.0024631 k( 337) = ( 0.5000000 0.5000000 -0.1017393), wk = 0.0024631 k( 338) = ( 0.5000000 0.5000000 -0.1091145), wk = 0.0024631 k( 339) = ( 0.5000000 0.5000000 -0.1164897), wk = 0.0024631 k( 340) = ( 0.5000000 0.5000000 -0.1238649), wk = 0.0024631 k( 341) = ( 0.5000000 0.5000000 -0.1312401), wk = 0.0024631 k( 342) = ( 0.5000000 0.5000000 -0.1386153), wk = 0.0024631 k( 343) = ( 0.5000000 0.5000000 -0.1459905), wk = 0.0024631 k( 344) = ( 0.5000000 0.5000000 -0.1533657), wk = 0.0024631 k( 345) = ( 0.5000000 0.5000000 -0.1607409), wk = 0.0024631 k( 346) = ( 0.5000000 0.5000000 -0.1681161), wk = 0.0024631 k( 347) = ( 0.5000000 0.5000000 -0.1754913), wk = 0.0024631 k( 348) = ( 0.5000000 0.5000000 -0.1828665), wk = 0.0024631 k( 349) = ( 0.5000000 0.5000000 -0.1902417), wk = 0.0024631 k( 350) = ( 0.5000000 0.5000000 -0.1976169), wk = 0.0024631 k( 351) = ( 0.5000000 0.5000000 -0.2049921), wk = 0.0024631 k( 352) = ( 0.5000000 0.5000000 -0.2123673), wk = 0.0024631 k( 353) = ( 0.5000000 0.5000000 -0.2197425), wk = 0.0024631 k( 354) = ( 0.5000000 0.5000000 -0.2271177), wk = 0.0024631 k( 355) = ( 0.5000000 0.5000000 -0.2344929), wk = 0.0024631 k( 356) = ( 0.5000000 0.5000000 -0.2418681), wk = 0.0024631 k( 357) = ( 0.5000000 0.5000000 -0.2492433), wk = 0.0024631 k( 358) = ( 0.5000000 0.5000000 -0.2566185), wk = 0.0024631 k( 359) = ( 0.5000000 0.5000000 -0.2639937), wk = 0.0024631 k( 360) = ( 0.5000000 0.5000000 -0.2713688), wk = 0.0024631 k( 361) = ( 0.5000000 0.5000000 -0.2787440), wk = 0.0024631 k( 362) = ( 0.5000000 0.5000000 -0.2861192), wk = 0.0024631 k( 363) = ( 0.5000000 0.5000000 -0.2934944), wk = 0.0024631 k( 364) = ( 0.5000000 0.5000000 -0.3008696), wk = 0.0024631 k( 365) = ( 0.5000000 0.5000000 -0.3082448), wk = 0.0024631 k( 366) = ( 0.5000000 0.5000000 -0.3156200), wk = 0.0024631 k( 367) = ( 0.5000000 0.5000000 -0.3229952), wk = 0.0024631 k( 368) = ( 0.5000000 0.5000000 -0.3303704), wk = 0.0024631 k( 369) = ( 0.5000000 0.5000000 -0.3377456), wk = 0.0024631 k( 370) = ( 0.5000000 0.5000000 -0.3451208), wk = 0.0024631 k( 371) = ( 0.5000000 0.5000000 -0.3524960), wk = 0.0024631 k( 372) = ( 0.5000000 0.5000000 -0.3598712), wk = 0.0024631 k( 373) = ( 0.5000000 0.5000000 -0.3672464), wk = 0.0024631 k( 374) = ( 0.5000000 0.5000000 -0.3746216), wk = 0.0024631 k( 375) = ( 0.5000000 0.5000000 -0.3819968), wk = 0.0024631 k( 376) = ( 0.5000000 0.5000000 -0.3893720), wk = 0.0024631 k( 377) = ( 0.5000000 0.5000000 -0.3967472), wk = 0.0024631 k( 378) = ( 0.5000000 0.5000000 -0.4041224), wk = 0.0024631 k( 379) = ( 0.5000000 0.5000000 -0.4114976), wk = 0.0024631 k( 380) = ( 0.5000000 0.5000000 -0.4188728), wk = 0.0024631 k( 381) = ( 0.5000000 0.5000000 -0.4262480), wk = 0.0024631 k( 382) = ( 0.5000000 0.5000000 -0.4336232), wk = 0.0024631 k( 383) = ( 0.5000000 0.5000000 -0.4409984), wk = 0.0024631 k( 384) = ( 0.5000000 0.5000000 -0.4483736), wk = 0.0024631 k( 385) = ( 0.5000000 0.5000000 -0.4557488), wk = 0.0024631 k( 386) = ( 0.5000000 0.5000000 -0.4631240), wk = 0.0024631 k( 387) = ( 0.5000000 0.5000000 -0.4704992), wk = 0.0024631 k( 388) = ( 0.5000000 0.5000000 -0.4778744), wk = 0.0024631 k( 389) = ( 0.5000000 0.5000000 -0.4852496), wk = 0.0024631 k( 390) = ( 0.5000000 0.5000000 -0.4926248), wk = 0.0024631 k( 391) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 392) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 393) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0024631 k( 394) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0024631 k( 395) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0024631 k( 396) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0024631 k( 397) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0024631 k( 398) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0024631 k( 399) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024631 k( 400) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0024631 k( 401) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0024631 k( 402) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0024631 k( 403) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0024631 k( 404) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0024631 k( 405) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0024631 k( 406) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 Dense grid: 31011 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 16793 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 118, 44) NL pseudopotentials 0.12 Mb ( 59, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 862) G-vector shells 0.00 Mb ( 407) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 118, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./TaP.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.9 secs Computing kpt #: 20 total cpu time spent up to now is 11.3 secs Computing kpt #: 21 total cpu time spent up to now is 11.7 secs Computing kpt #: 22 total cpu time spent up to now is 12.2 secs Computing kpt #: 23 total cpu time spent up to now is 12.6 secs Computing kpt #: 24 total cpu time spent up to now is 13.0 secs Computing kpt #: 25 total cpu time spent up to now is 13.5 secs Computing kpt #: 26 total cpu time spent up to now is 13.9 secs Computing kpt #: 27 total cpu time spent up to now is 14.3 secs Computing kpt #: 28 total cpu time spent up to now is 14.8 secs Computing kpt #: 29 total cpu time spent up to now is 15.2 secs Computing kpt #: 30 total cpu time spent up to now is 15.7 secs Computing kpt #: 31 total cpu time spent up to now is 16.1 secs Computing kpt #: 32 total cpu time spent up to now is 16.5 secs Computing kpt #: 33 total cpu time spent up to now is 17.0 secs Computing kpt #: 34 total cpu time spent up to now is 17.4 secs Computing kpt #: 35 total cpu time spent up to now is 17.8 secs Computing kpt #: 36 total cpu time spent up to now is 18.2 secs Computing kpt #: 37 total cpu time spent up to now is 18.7 secs Computing kpt #: 38 total cpu time spent up to now is 19.1 secs Computing kpt #: 39 total cpu time spent up to now is 19.6 secs Computing kpt #: 40 total cpu time spent up to now is 20.0 secs Computing kpt #: 41 total cpu time spent up to now is 20.5 secs Computing kpt #: 42 total cpu time spent up to now is 20.9 secs Computing kpt #: 43 total cpu time spent up to now is 21.4 secs Computing kpt #: 44 total cpu time spent up to now is 21.8 secs Computing kpt #: 45 total cpu time spent up to now is 22.3 secs Computing kpt #: 46 total cpu time spent up to now is 22.7 secs Computing kpt #: 47 total cpu time spent up to now is 23.1 secs Computing kpt #: 48 total cpu time spent up to now is 23.6 secs Computing kpt #: 49 total cpu time spent up to now is 24.0 secs Computing kpt #: 50 total cpu time spent up to now is 24.5 secs Computing kpt #: 51 total cpu time spent up to now is 25.0 secs Computing kpt #: 52 total cpu time spent up to now is 25.4 secs Computing kpt #: 53 total cpu time spent up to now is 25.9 secs Computing kpt #: 54 total cpu time spent up to now is 26.3 secs Computing kpt #: 55 total cpu time spent up to now is 26.8 secs Computing kpt #: 56 total cpu time spent up to now is 27.3 secs Computing kpt #: 57 total cpu time spent up to now is 27.7 secs Computing kpt #: 58 total cpu time spent up to now is 28.2 secs Computing kpt #: 59 total cpu time spent up to now is 28.6 secs Computing kpt #: 60 total cpu time spent up to now is 29.0 secs Computing kpt #: 61 total cpu time spent up to now is 29.4 secs Computing kpt #: 62 total cpu time spent up to now is 29.8 secs Computing kpt #: 63 total cpu time spent up to now is 30.3 secs Computing kpt #: 64 total cpu time spent up to now is 30.7 secs Computing kpt #: 65 total cpu time spent up to now is 31.1 secs Computing kpt #: 66 total cpu time spent up to now is 31.5 secs Computing kpt #: 67 total cpu time spent up to now is 31.8 secs Computing kpt #: 68 total cpu time spent up to now is 32.2 secs Computing kpt #: 69 total cpu time spent up to now is 32.6 secs Computing kpt #: 70 total cpu time spent up to now is 33.0 secs Computing kpt #: 71 total cpu time spent up to now is 33.4 secs Computing kpt #: 72 total cpu time spent up to now is 33.8 secs Computing kpt #: 73 total cpu time spent up to now is 34.2 secs Computing kpt #: 74 total cpu time spent up to now is 34.7 secs Computing kpt #: 75 total cpu time spent up to now is 35.2 secs Computing kpt #: 76 total cpu time spent up to now is 35.6 secs Computing kpt #: 77 total cpu time spent up to now is 36.0 secs Computing kpt #: 78 total cpu time spent up to now is 36.4 secs Computing kpt #: 79 total cpu time spent up to now is 36.9 secs Computing kpt #: 80 total cpu time spent up to now is 37.3 secs Computing kpt #: 81 total cpu time spent up to now is 37.7 secs Computing kpt #: 82 total cpu time spent up to now is 38.1 secs Computing kpt #: 83 total cpu time spent up to now is 38.6 secs Computing kpt #: 84 total cpu time spent up to now is 39.0 secs Computing kpt #: 85 total cpu time spent up to now is 39.4 secs Computing kpt #: 86 total cpu time spent up to now is 39.8 secs Computing kpt #: 87 total cpu time spent up to now is 40.3 secs Computing kpt #: 88 total cpu time spent up to now is 40.7 secs Computing kpt #: 89 total cpu time spent up to now is 41.1 secs Computing kpt #: 90 total cpu time spent up to now is 41.6 secs Computing kpt #: 91 total cpu time spent up to now is 42.0 secs Computing kpt #: 92 total cpu time spent up to now is 42.4 secs Computing kpt #: 93 total cpu time spent up to now is 42.8 secs Computing kpt #: 94 total cpu time spent up to now is 43.3 secs Computing kpt #: 95 total cpu time spent up to now is 43.7 secs Computing kpt #: 96 total cpu time spent up to now is 44.1 secs Computing kpt #: 97 total cpu time spent up to now is 44.5 secs Computing kpt #: 98 total cpu time spent up to now is 44.9 secs Computing kpt #: 99 total cpu time spent up to now is 45.4 secs Computing kpt #: 100 total cpu time spent up to now is 45.8 secs Computing kpt #: 101 total cpu time spent up to now is 46.2 secs Computing kpt #: 102 total cpu time spent up to now is 46.6 secs Computing kpt #: 103 total cpu time spent up to now is 47.0 secs Computing kpt #: 104 total cpu time spent up to now is 47.4 secs Computing kpt #: 105 total cpu time spent up to now is 47.8 secs Computing kpt #: 106 total cpu time spent up to now is 48.2 secs Computing kpt #: 107 total cpu time spent up to now is 48.6 secs Computing kpt #: 108 total cpu time spent up to now is 49.0 secs Computing kpt #: 109 total cpu time spent up to now is 49.5 secs Computing kpt #: 110 total cpu time spent up to now is 49.9 secs Computing kpt #: 111 total cpu time spent up to now is 50.3 secs Computing kpt #: 112 total cpu time spent up to now is 50.8 secs Computing kpt #: 113 total cpu time spent up to now is 51.2 secs Computing kpt #: 114 total cpu time spent up to now is 51.6 secs Computing kpt #: 115 total cpu time spent up to now is 52.0 secs Computing kpt #: 116 total cpu time spent up to now is 52.4 secs Computing kpt #: 117 total cpu time spent up to now is 52.8 secs Computing kpt #: 118 total cpu time spent up to now is 53.2 secs Computing kpt #: 119 total cpu time spent up to now is 53.6 secs Computing kpt #: 120 total cpu time spent up to now is 54.0 secs Computing kpt #: 121 total cpu time spent up to now is 54.4 secs Computing kpt #: 122 total cpu time spent up to now is 54.8 secs Computing kpt #: 123 total cpu time spent up to now is 55.2 secs Computing kpt #: 124 total cpu time spent up to now is 55.6 secs Computing kpt #: 125 total cpu time spent up to now is 56.1 secs Computing kpt #: 126 total cpu time spent up to now is 56.5 secs Computing kpt #: 127 total cpu time spent up to now is 56.9 secs Computing kpt #: 128 total cpu time spent up to now is 57.4 secs Computing kpt #: 129 total cpu time spent up to now is 57.8 secs Computing kpt #: 130 total cpu time spent up to now is 58.2 secs Computing kpt #: 131 total cpu time spent up to now is 58.7 secs Computing kpt #: 132 total cpu time spent up to now is 59.1 secs Computing kpt #: 133 total cpu time spent up to now is 59.5 secs Computing kpt #: 134 total cpu time spent up to now is 59.9 secs Computing kpt #: 135 total cpu time spent up to now is 60.3 secs Computing kpt #: 136 total cpu time spent up to now is 60.8 secs Computing kpt #: 137 total cpu time spent up to now is 61.2 secs Computing kpt #: 138 total cpu time spent up to now is 61.6 secs Computing kpt #: 139 total cpu time spent up to now is 62.0 secs Computing kpt #: 140 total cpu time spent up to now is 62.4 secs Computing kpt #: 141 total cpu time spent up to now is 62.8 secs Computing kpt #: 142 total cpu time spent up to now is 63.2 secs Computing kpt #: 143 total cpu time spent up to now is 63.7 secs Computing kpt #: 144 total cpu time spent up to now is 64.1 secs Computing kpt #: 145 total cpu time spent up to now is 64.5 secs Computing kpt #: 146 total cpu time spent up to now is 64.9 secs Computing kpt #: 147 total cpu time spent up to now is 65.3 secs Computing kpt #: 148 total cpu time spent up to now is 65.8 secs Computing kpt #: 149 total cpu time spent up to now is 66.2 secs Computing kpt #: 150 total cpu time spent up to now is 66.6 secs Computing kpt #: 151 total cpu time spent up to now is 67.0 secs Computing kpt #: 152 total cpu time spent up to now is 67.5 secs Computing kpt #: 153 total cpu time spent up to now is 67.9 secs Computing kpt #: 154 total cpu time spent up to now is 68.3 secs Computing kpt #: 155 total cpu time spent up to now is 68.7 secs Computing kpt #: 156 total cpu time spent up to now is 69.1 secs Computing kpt #: 157 total cpu time spent up to now is 69.5 secs Computing kpt #: 158 total cpu time spent up to now is 70.0 secs Computing kpt #: 159 total cpu time spent up to now is 70.4 secs Computing kpt #: 160 total cpu time spent up to now is 70.8 secs Computing kpt #: 161 total cpu time spent up to now is 71.2 secs Computing kpt #: 162 total cpu time spent up to now is 71.6 secs Computing kpt #: 163 total cpu time spent up to now is 72.1 secs Computing kpt #: 164 total cpu time spent up to now is 72.5 secs Computing kpt #: 165 total cpu time spent up to now is 72.9 secs Computing kpt #: 166 total cpu time spent up to now is 73.3 secs Computing kpt #: 167 total cpu time spent up to now is 73.8 secs Computing kpt #: 168 total cpu time spent up to now is 74.2 secs Computing kpt #: 169 total cpu time spent up to now is 74.6 secs Computing kpt #: 170 total cpu time spent up to now is 75.0 secs Computing kpt #: 171 total cpu time spent up to now is 75.4 secs Computing kpt #: 172 total cpu time spent up to now is 75.8 secs Computing kpt #: 173 total cpu time spent up to now is 76.2 secs Computing kpt #: 174 total cpu time spent up to now is 76.6 secs Computing kpt #: 175 total cpu time spent up to now is 77.0 secs Computing kpt #: 176 total cpu time spent up to now is 77.4 secs Computing kpt #: 177 total cpu time spent up to now is 77.8 secs Computing kpt #: 178 total cpu time spent up to now is 78.2 secs Computing kpt #: 179 total cpu time spent up to now is 78.6 secs Computing kpt #: 180 total cpu time spent up to now is 79.0 secs Computing kpt #: 181 total cpu time spent up to now is 79.4 secs Computing kpt #: 182 total cpu time spent up to now is 79.8 secs Computing kpt #: 183 total cpu time spent up to now is 80.2 secs Computing kpt #: 184 total cpu time spent up to now is 80.8 secs Computing kpt #: 185 total cpu time spent up to now is 81.2 secs Computing kpt #: 186 total cpu time spent up to now is 81.6 secs Computing kpt #: 187 total cpu time spent up to now is 82.0 secs Computing kpt #: 188 total cpu time spent up to now is 82.3 secs Computing kpt #: 189 total cpu time spent up to now is 82.7 secs Computing kpt #: 190 total cpu time spent up to now is 83.1 secs Computing kpt #: 191 total cpu time spent up to now is 83.4 secs Computing kpt #: 192 total cpu time spent up to now is 83.8 secs Computing kpt #: 193 total cpu time spent up to now is 84.1 secs Computing kpt #: 194 total cpu time spent up to now is 84.4 secs Computing kpt #: 195 total cpu time spent up to now is 84.8 secs Computing kpt #: 196 total cpu time spent up to now is 85.1 secs Computing kpt #: 197 total cpu time spent up to now is 85.5 secs Computing kpt #: 198 total cpu time spent up to now is 85.8 secs Computing kpt #: 199 total cpu time spent up to now is 86.1 secs Computing kpt #: 200 total cpu time spent up to now is 86.5 secs Computing kpt #: 201 total cpu time spent up to now is 86.8 secs Computing kpt #: 202 total cpu time spent up to now is 87.1 secs Computing kpt #: 203 total cpu time spent up to now is 87.5 secs Computing kpt #: 204 total cpu time spent up to now is 87.8 secs Computing kpt #: 205 total cpu time spent up to now is 88.2 secs Computing kpt #: 206 total cpu time spent up to now is 88.5 secs Computing kpt #: 207 total cpu time spent up to now is 88.9 secs Computing kpt #: 208 total cpu time spent up to now is 89.3 secs Computing kpt #: 209 total cpu time spent up to now is 89.6 secs Computing kpt #: 210 total cpu time spent up to now is 90.0 secs Computing kpt #: 211 total cpu time spent up to now is 90.4 secs Computing kpt #: 212 total cpu time spent up to now is 90.8 secs Computing kpt #: 213 total cpu time spent up to now is 91.2 secs Computing kpt #: 214 total cpu time spent up to now is 91.6 secs Computing kpt #: 215 total cpu time spent up to now is 92.1 secs Computing kpt #: 216 total cpu time spent up to now is 92.5 secs Computing kpt #: 217 total cpu time spent up to now is 92.9 secs Computing kpt #: 218 total cpu time spent up to now is 93.4 secs Computing kpt #: 219 total cpu time spent up to now is 93.8 secs Computing kpt #: 220 total cpu time spent up to now is 94.2 secs Computing kpt #: 221 total cpu time spent up to now is 94.7 secs Computing kpt #: 222 total cpu time spent up to now is 95.1 secs Computing kpt #: 223 total cpu time spent up to now is 95.5 secs Computing kpt #: 224 total cpu time spent up to now is 95.9 secs Computing kpt #: 225 total cpu time spent up to now is 96.4 secs Computing kpt #: 226 total cpu time spent up to now is 96.8 secs Computing kpt #: 227 total cpu time spent up to now is 97.2 secs Computing kpt #: 228 total cpu time spent up to now is 97.6 secs Computing kpt #: 229 total cpu time spent up to now is 98.0 secs Computing kpt #: 230 total cpu time spent up to now is 98.4 secs Computing kpt #: 231 total cpu time spent up to now is 98.8 secs Computing kpt #: 232 total cpu time spent up to now is 99.2 secs Computing kpt #: 233 total cpu time spent up to now is 99.6 secs Computing kpt #: 234 total cpu time spent up to now is 100.0 secs Computing kpt #: 235 total cpu time spent up to now is 100.4 secs Computing kpt #: 236 total cpu time spent up to now is 100.8 secs Computing kpt #: 237 total cpu time spent up to now is 101.2 secs Computing kpt #: 238 total cpu time spent up to now is 101.6 secs Computing kpt #: 239 total cpu time spent up to now is 102.0 secs Computing kpt #: 240 total cpu time spent up to now is 102.3 secs Computing kpt #: 241 total cpu time spent up to now is 102.7 secs Computing kpt #: 242 total cpu time spent up to now is 103.1 secs Computing kpt #: 243 total cpu time spent up to now is 103.5 secs Computing kpt #: 244 total cpu time spent up to now is 103.9 secs Computing kpt #: 245 total cpu time spent up to now is 104.3 secs Computing kpt #: 246 total cpu time spent up to now is 104.7 secs Computing kpt #: 247 total cpu time spent up to now is 105.1 secs Computing kpt #: 248 total cpu time spent up to now is 105.5 secs Computing kpt #: 249 total cpu time spent up to now is 105.9 secs Computing kpt #: 250 total cpu time spent up to now is 106.3 secs Computing kpt #: 251 total cpu time spent up to now is 106.7 secs Computing kpt #: 252 total cpu time spent up to now is 107.1 secs Computing kpt #: 253 total cpu time spent up to now is 107.5 secs Computing kpt #: 254 total cpu time spent up to now is 107.9 secs Computing kpt #: 255 total cpu time spent up to now is 108.3 secs Computing kpt #: 256 total cpu time spent up to now is 108.7 secs Computing kpt #: 257 total cpu time spent up to now is 109.1 secs Computing kpt #: 258 total cpu time spent up to now is 109.5 secs Computing kpt #: 259 total cpu time spent up to now is 109.9 secs Computing kpt #: 260 total cpu time spent up to now is 110.3 secs Computing kpt #: 261 total cpu time spent up to now is 110.7 secs Computing kpt #: 262 total cpu time spent up to now is 111.3 secs Computing kpt #: 263 total cpu time spent up to now is 111.7 secs Computing kpt #: 264 total cpu time spent up to now is 112.1 secs Computing kpt #: 265 total cpu time spent up to now is 112.4 secs Computing kpt #: 266 total cpu time spent up to now is 112.8 secs Computing kpt #: 267 total cpu time spent up to now is 113.2 secs Computing kpt #: 268 total cpu time spent up to now is 113.6 secs Computing kpt #: 269 total cpu time spent up to now is 114.0 secs Computing kpt #: 270 total cpu time spent up to now is 114.4 secs Computing kpt #: 271 total cpu time spent up to now is 114.8 secs Computing kpt #: 272 total cpu time spent up to now is 115.2 secs Computing kpt #: 273 total cpu time spent up to now is 115.6 secs Computing kpt #: 274 total cpu time spent up to now is 116.0 secs Computing kpt #: 275 total cpu time spent up to now is 116.4 secs Computing kpt #: 276 total cpu time spent up to now is 116.9 secs Computing kpt #: 277 total cpu time spent up to now is 117.3 secs Computing kpt #: 278 total cpu time spent up to now is 117.7 secs Computing kpt #: 279 total cpu time spent up to now is 118.1 secs Computing kpt #: 280 total cpu time spent up to now is 118.6 secs Computing kpt #: 281 total cpu time spent up to now is 119.0 secs Computing kpt #: 282 total cpu time spent up to now is 119.4 secs Computing kpt #: 283 total cpu time spent up to now is 119.9 secs Computing kpt #: 284 total cpu time spent up to now is 120.3 secs Computing kpt #: 285 total cpu time spent up to now is 120.7 secs Computing kpt #: 286 total cpu time spent up to now is 121.2 secs Computing kpt #: 287 total cpu time spent up to now is 121.6 secs Computing kpt #: 288 total cpu time spent up to now is 122.0 secs Computing kpt #: 289 total cpu time spent up to now is 122.4 secs Computing kpt #: 290 total cpu time spent up to now is 122.9 secs Computing kpt #: 291 total cpu time spent up to now is 123.3 secs Computing kpt #: 292 total cpu time spent up to now is 123.7 secs Computing kpt #: 293 total cpu time spent up to now is 124.2 secs Computing kpt #: 294 total cpu time spent up to now is 124.6 secs Computing kpt #: 295 total cpu time spent up to now is 125.1 secs Computing kpt #: 296 total cpu time spent up to now is 125.5 secs Computing kpt #: 297 total cpu time spent up to now is 125.9 secs Computing kpt #: 298 total cpu time spent up to now is 126.4 secs Computing kpt #: 299 total cpu time spent up to now is 126.8 secs Computing kpt #: 300 total cpu time spent up to now is 127.2 secs Computing kpt #: 301 total cpu time spent up to now is 127.7 secs Computing kpt #: 302 total cpu time spent up to now is 128.1 secs Computing kpt #: 303 total cpu time spent up to now is 128.5 secs Computing kpt #: 304 total cpu time spent up to now is 129.0 secs Computing kpt #: 305 total cpu time spent up to now is 129.4 secs Computing kpt #: 306 total cpu time spent up to now is 129.8 secs Computing kpt #: 307 total cpu time spent up to now is 130.2 secs Computing kpt #: 308 total cpu time spent up to now is 130.7 secs Computing kpt #: 309 total cpu time spent up to now is 131.1 secs Computing kpt #: 310 total cpu time spent up to now is 131.5 secs Computing kpt #: 311 total cpu time spent up to now is 131.9 secs Computing kpt #: 312 total cpu time spent up to now is 132.3 secs Computing kpt #: 313 total cpu time spent up to now is 132.7 secs Computing kpt #: 314 total cpu time spent up to now is 133.2 secs Computing kpt #: 315 total cpu time spent up to now is 133.6 secs Computing kpt #: 316 total cpu time spent up to now is 134.0 secs Computing kpt #: 317 total cpu time spent up to now is 134.4 secs Computing kpt #: 318 total cpu time spent up to now is 134.8 secs Computing kpt #: 319 total cpu time spent up to now is 135.2 secs Computing kpt #: 320 total cpu time spent up to now is 135.7 secs Computing kpt #: 321 total cpu time spent up to now is 136.1 secs Computing kpt #: 322 total cpu time spent up to now is 136.5 secs Computing kpt #: 323 total cpu time spent up to now is 136.9 secs Computing kpt #: 324 total cpu time spent up to now is 137.3 secs Computing kpt #: 325 total cpu time spent up to now is 137.8 secs Computing kpt #: 326 total cpu time spent up to now is 138.2 secs Computing kpt #: 327 total cpu time spent up to now is 138.6 secs Computing kpt #: 328 total cpu time spent up to now is 139.0 secs Computing kpt #: 329 total cpu time spent up to now is 139.4 secs Computing kpt #: 330 total cpu time spent up to now is 139.9 secs Computing kpt #: 331 total cpu time spent up to now is 140.3 secs Computing kpt #: 332 total cpu time spent up to now is 140.7 secs Computing kpt #: 333 total cpu time spent up to now is 141.2 secs Computing kpt #: 334 total cpu time spent up to now is 141.6 secs Computing kpt #: 335 total cpu time spent up to now is 142.0 secs Computing kpt #: 336 total cpu time spent up to now is 142.5 secs Computing kpt #: 337 total cpu time spent up to now is 142.9 secs Computing kpt #: 338 total cpu time spent up to now is 143.3 secs Computing kpt #: 339 total cpu time spent up to now is 143.8 secs Computing kpt #: 340 total cpu time spent up to now is 144.2 secs Computing kpt #: 341 total cpu time spent up to now is 144.6 secs Computing kpt #: 342 total cpu time spent up to now is 145.1 secs Computing kpt #: 343 total cpu time spent up to now is 145.5 secs Computing kpt #: 344 total cpu time spent up to now is 146.0 secs Computing kpt #: 345 total cpu time spent up to now is 146.4 secs Computing kpt #: 346 total cpu time spent up to now is 146.8 secs Computing kpt #: 347 total cpu time spent up to now is 147.3 secs Computing kpt #: 348 total cpu time spent up to now is 147.7 secs Computing kpt #: 349 total cpu time spent up to now is 148.1 secs Computing kpt #: 350 total cpu time spent up to now is 148.6 secs Computing kpt #: 351 total cpu time spent up to now is 149.0 secs Computing kpt #: 352 total cpu time spent up to now is 149.4 secs Computing kpt #: 353 total cpu time spent up to now is 149.9 secs Computing kpt #: 354 total cpu time spent up to now is 150.3 secs Computing kpt #: 355 total cpu time spent up to now is 150.7 secs Computing kpt #: 356 total cpu time spent up to now is 151.1 secs Computing kpt #: 357 total cpu time spent up to now is 151.6 secs Computing kpt #: 358 total cpu time spent up to now is 152.0 secs Computing kpt #: 359 total cpu time spent up to now is 152.5 secs Computing kpt #: 360 total cpu time spent up to now is 152.9 secs Computing kpt #: 361 total cpu time spent up to now is 153.3 secs Computing kpt #: 362 total cpu time spent up to now is 153.8 secs Computing kpt #: 363 total cpu time spent up to now is 154.2 secs Computing kpt #: 364 total cpu time spent up to now is 154.7 secs Computing kpt #: 365 total cpu time spent up to now is 155.1 secs Computing kpt #: 366 total cpu time spent up to now is 155.6 secs Computing kpt #: 367 total cpu time spent up to now is 156.0 secs Computing kpt #: 368 total cpu time spent up to now is 156.5 secs Computing kpt #: 369 total cpu time spent up to now is 156.9 secs Computing kpt #: 370 total cpu time spent up to now is 157.4 secs Computing kpt #: 371 total cpu time spent up to now is 157.8 secs Computing kpt #: 372 total cpu time spent up to now is 158.2 secs Computing kpt #: 373 total cpu time spent up to now is 158.7 secs Computing kpt #: 374 total cpu time spent up to now is 159.1 secs Computing kpt #: 375 total cpu time spent up to now is 159.6 secs Computing kpt #: 376 total cpu time spent up to now is 160.0 secs Computing kpt #: 377 total cpu time spent up to now is 160.4 secs Computing kpt #: 378 total cpu time spent up to now is 160.8 secs Computing kpt #: 379 total cpu time spent up to now is 161.2 secs Computing kpt #: 380 total cpu time spent up to now is 161.6 secs Computing kpt #: 381 total cpu time spent up to now is 162.0 secs Computing kpt #: 382 total cpu time spent up to now is 162.4 secs Computing kpt #: 383 total cpu time spent up to now is 162.8 secs Computing kpt #: 384 total cpu time spent up to now is 163.2 secs Computing kpt #: 385 total cpu time spent up to now is 163.5 secs Computing kpt #: 386 total cpu time spent up to now is 163.9 secs Computing kpt #: 387 total cpu time spent up to now is 164.3 secs Computing kpt #: 388 total cpu time spent up to now is 164.6 secs Computing kpt #: 389 total cpu time spent up to now is 165.0 secs Computing kpt #: 390 total cpu time spent up to now is 165.3 secs Computing kpt #: 391 total cpu time spent up to now is 165.7 secs Computing kpt #: 392 total cpu time spent up to now is 166.1 secs Computing kpt #: 393 total cpu time spent up to now is 166.5 secs Computing kpt #: 394 total cpu time spent up to now is 166.8 secs Computing kpt #: 395 total cpu time spent up to now is 167.2 secs Computing kpt #: 396 total cpu time spent up to now is 167.6 secs Computing kpt #: 397 total cpu time spent up to now is 168.0 secs Computing kpt #: 398 total cpu time spent up to now is 168.4 secs Computing kpt #: 399 total cpu time spent up to now is 168.8 secs Computing kpt #: 400 total cpu time spent up to now is 169.3 secs Computing kpt #: 401 total cpu time spent up to now is 169.7 secs Computing kpt #: 402 total cpu time spent up to now is 170.1 secs Computing kpt #: 403 total cpu time spent up to now is 170.5 secs Computing kpt #: 404 total cpu time spent up to now is 170.9 secs Computing kpt #: 405 total cpu time spent up to now is 171.3 secs Computing kpt #: 406 total cpu time spent up to now is 171.7 secs ethr = 2.78E-08, avg # of iterations = 16.5 total cpu time spent up to now is 171.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2115 PWs) bands (ev): -51.7909 -51.7909 -51.7755 -51.7755 -24.7340 -24.7340 -24.6752 -24.6752 -16.1269 -16.1269 -16.1096 -16.1096 -16.1054 -16.1054 -15.8485 -15.8485 2.0673 2.0673 3.9072 3.9072 10.0914 10.0914 12.4465 12.4465 12.5898 12.5898 14.1962 14.1962 14.7897 14.7897 14.9310 14.9310 15.1217 15.1217 15.2992 15.2992 15.6918 15.6918 16.2153 16.2153 17.0494 17.0494 17.4505 17.4505 k = 0.0000 0.0000 0.0195 ( 2123 PWs) bands (ev): -51.7909 -51.7909 -51.7755 -51.7755 -24.7341 -24.7341 -24.6753 -24.6753 -16.1271 -16.1271 -16.1100 -16.1100 -16.1053 -16.1053 -15.8486 -15.8486 2.0693 2.0693 3.9091 3.9091 10.0911 10.0911 12.4442 12.4442 12.5884 12.5884 14.1961 14.1961 14.7742 14.7742 14.9208 14.9208 15.1052 15.1052 15.2887 15.2887 15.7201 15.7201 16.2329 16.2329 17.0336 17.0336 17.4596 17.4596 k = 0.0000 0.0000 0.0391 ( 2133 PWs) bands (ev): -51.7908 -51.7908 -51.7755 -51.7755 -24.7344 -24.7344 -24.6755 -24.6755 -16.1276 -16.1276 -16.1109 -16.1109 -16.1051 -16.1051 -15.8489 -15.8489 2.0751 2.0751 3.9147 3.9147 10.0900 10.0900 12.4376 12.4376 12.5841 12.5841 14.1953 14.1953 14.7214 14.7214 14.8867 14.8867 15.0761 15.0761 15.2662 15.2662 15.7907 15.7907 16.2804 16.2804 16.9924 16.9924 17.4789 17.4789 k = 0.0000 0.0000 0.0586 ( 2125 PWs) bands (ev): -51.7908 -51.7908 -51.7755 -51.7755 -24.7344 -24.7344 -24.6757 -24.6757 -16.1284 -16.1284 -16.1121 -16.1121 -16.1047 -16.1047 -15.8492 -15.8492 2.0847 2.0847 3.9241 3.9241 10.0882 10.0882 12.4268 12.4268 12.5773 12.5773 14.1934 14.1934 14.6255 14.6255 14.8226 14.8226 15.0623 15.0623 15.2504 15.2504 15.8800 15.8800 16.3466 16.3466 16.9368 16.9368 17.4966 17.4966 k = 0.0000 0.0000 0.0781 ( 2121 PWs) bands (ev): -51.7907 -51.7907 -51.7754 -51.7754 -24.7346 -24.7346 -24.6760 -24.6760 -16.1295 -16.1295 -16.1136 -16.1136 -16.1044 -16.1044 -15.8497 -15.8497 2.0982 2.0982 3.9373 3.9373 10.0859 10.0859 12.4120 12.4120 12.5679 12.5679 14.1884 14.1884 14.4955 14.4955 14.7293 14.7293 15.0694 15.0694 15.2527 15.2527 15.9723 15.9723 16.4203 16.4203 16.8750 16.8750 17.5107 17.5107 k = 0.0000 0.0000 0.0977 ( 2125 PWs) bands (ev): -51.7906 -51.7906 -51.7754 -51.7754 -24.7350 -24.7350 -24.6765 -24.6765 -16.1311 -16.1311 -16.1155 -16.1155 -16.1041 -16.1041 -15.8503 -15.8503 2.1155 2.1155 3.9541 3.9541 10.0829 10.0829 12.3936 12.3936 12.5561 12.5561 14.1760 14.1760 14.3452 14.3452 14.6172 14.6172 15.0923 15.0923 15.2734 15.2734 16.0591 16.0591 16.4932 16.4932 16.8120 16.8120 17.5240 17.5240 k = 0.0000 0.0000 0.1172 ( 2125 PWs) bands (ev): -51.7905 -51.7905 -51.7753 -51.7753 -24.7354 -24.7354 -24.6770 -24.6770 -16.1329 -16.1329 -16.1177 -16.1177 -16.1038 -16.1038 -15.8511 -15.8511 2.1366 2.1366 3.9746 3.9746 10.0794 10.0794 12.3720 12.3720 12.5424 12.5424 14.1374 14.1374 14.1930 14.1930 14.5033 14.5033 15.1263 15.1263 15.3088 15.3088 16.1353 16.1353 16.5597 16.5597 16.7510 16.7510 17.5395 17.5395 k = 0.0000 0.0000 0.1367 ( 2125 PWs) bands (ev): -51.7903 -51.7903 -51.7752 -51.7752 -24.7358 -24.7358 -24.6777 -24.6777 -16.1351 -16.1351 -16.1202 -16.1202 -16.1036 -16.1036 -15.8520 -15.8520 2.1614 2.1614 3.9987 3.9987 10.0754 10.0754 12.3477 12.3477 12.5270 12.5270 13.9971 13.9971 14.1015 14.1015 14.4118 14.4118 15.1683 15.1683 15.3558 15.3558 16.1980 16.1980 16.6139 16.6139 16.6969 16.6969 17.5590 17.5590 k = 0.0000 0.0000 0.1562 ( 2125 PWs) bands (ev): -51.7902 -51.7902 -51.7751 -51.7751 -24.7362 -24.7362 -24.6785 -24.6785 -16.1376 -16.1376 -16.1230 -16.1230 -16.1033 -16.1033 -15.8531 -15.8531 2.1898 2.1898 4.0262 4.0262 10.0711 10.0711 12.3212 12.3212 12.5102 12.5102 13.8222 13.8222 13.9926 13.9926 14.3606 14.3606 15.2158 15.2158 15.4124 15.4124 16.2452 16.2452 16.6226 16.6226 16.6828 16.6828 17.5837 17.5837 k = 0.0000 0.0000 0.1758 ( 2121 PWs) bands (ev): -51.7900 -51.7900 -51.7750 -51.7750 -24.7366 -24.7366 -24.6793 -24.6793 -16.1402 -16.1402 -16.1261 -16.1261 -16.1030 -16.1030 -15.8543 -15.8543 2.2219 2.2219 4.0572 4.0572 10.0665 10.0665 12.2929 12.2929 12.4922 12.4922 13.6423 13.6423 13.8507 13.8507 14.3402 14.3402 15.2669 15.2669 15.4771 15.4771 16.2767 16.2767 16.5825 16.5825 16.7129 16.7129 17.6140 17.6140 k = 0.0000 0.0000 0.1953 ( 2121 PWs) bands (ev): -51.7898 -51.7898 -51.7748 -51.7748 -24.7372 -24.7372 -24.6803 -24.6803 -16.1433 -16.1433 -16.1295 -16.1295 -16.1028 -16.1028 -15.8556 -15.8556 2.2575 2.2575 4.0915 4.0915 10.0616 10.0616 12.2632 12.2632 12.4735 12.4735 13.4603 13.4603 13.6916 13.6916 14.3352 14.3352 15.3195 15.3195 15.5489 15.5489 16.2934 16.2934 16.5433 16.5433 16.7391 16.7391 17.6498 17.6498 k = 0.0000 0.0000 0.2148 ( 2121 PWs) bands (ev): -51.7896 -51.7896 -51.7747 -51.7747 -24.7379 -24.7379 -24.6813 -24.6813 -16.1466 -16.1466 -16.1332 -16.1332 -16.1026 -16.1026 -15.8570 -15.8570 2.2966 2.2966 4.1290 4.1290 10.0567 10.0567 12.2326 12.2326 12.4543 12.4543 13.2776 13.2776 13.5241 13.5241 14.3377 14.3377 15.3713 15.3713 15.6269 15.6269 16.2978 16.2978 16.5106 16.5106 16.7571 16.7571 17.6905 17.6905 k = 0.0000 0.0000 0.2344 ( 2125 PWs) bands (ev): -51.7893 -51.7893 -51.7745 -51.7745 -24.7386 -24.7386 -24.6825 -24.6825 -16.1503 -16.1503 -16.1372 -16.1372 -16.1024 -16.1024 -15.8586 -15.8586 2.3390 2.3390 4.1695 4.1695 10.0519 10.0519 12.2014 12.2014 12.4348 12.4348 13.0951 13.0951 13.3526 13.3526 14.3443 14.3443 15.4198 15.4198 15.7103 15.7103 16.2933 16.2933 16.4857 16.4857 16.7675 16.7675 17.7351 17.7351 k = 0.0000 0.0000 0.2539 ( 2129 PWs) bands (ev): -51.7891 -51.7891 -51.7744 -51.7744 -24.7394 -24.7394 -24.6838 -24.6838 -16.1542 -16.1542 -16.1415 -16.1415 -16.1022 -16.1022 -15.8603 -15.8603 2.3847 2.3847 4.2130 4.2130 10.0472 10.0472 12.1699 12.1699 12.4152 12.4152 12.9139 12.9139 13.1792 13.1792 14.3534 14.3534 15.4623 15.4623 15.7982 15.7982 16.2824 16.2824 16.4705 16.4705 16.7713 16.7713 17.7828 17.7828 k = 0.0000 0.0000 0.2734 ( 2125 PWs) bands (ev): -51.7888 -51.7888 -51.7742 -51.7742 -24.7401 -24.7401 -24.6850 -24.6850 -16.1583 -16.1583 -16.1459 -16.1459 -16.1019 -16.1019 -15.8621 -15.8621 2.4336 2.4336 4.2592 4.2592 10.0427 10.0427 12.1385 12.1385 12.3956 12.3956 12.7347 12.7347 13.0055 13.0055 14.3641 14.3641 15.4962 15.4962 15.8888 15.8888 16.2660 16.2660 16.4693 16.4693 16.7698 16.7698 17.8329 17.8329 k = 0.0000 0.0000 0.2930 ( 2121 PWs) bands (ev): -51.7885 -51.7885 -51.7740 -51.7740 -24.7409 -24.7409 -24.6863 -24.6863 -16.1627 -16.1627 -16.1507 -16.1507 -16.1015 -16.1015 -15.8639 -15.8639 2.4855 2.4855 4.3080 4.3080 10.0387 10.0387 12.1073 12.1073 12.3751 12.3751 12.5590 12.5590 12.8324 12.8324 14.3757 14.3757 15.5199 15.5199 15.9785 15.9785 16.2464 16.2464 16.4862 16.4862 16.7640 16.7640 17.8844 17.8844 k = 0.0000 0.0000 0.3125 ( 2117 PWs) bands (ev): -51.7881 -51.7881 -51.7739 -51.7739 -24.7418 -24.7418 -24.6877 -24.6877 -16.1673 -16.1673 -16.1556 -16.1556 -16.1012 -16.1012 -15.8659 -15.8659 2.5403 2.5403 4.3591 4.3591 10.0352 10.0352 12.0767 12.0767 12.3411 12.3411 12.4005 12.4005 12.6607 12.6607 14.3881 14.3881 15.5328 15.5328 16.0538 16.0538 16.2364 16.2364 16.5223 16.5223 16.7554 16.7554 17.9369 17.9369 k = 0.0000 0.0000 0.3320 ( 2113 PWs) bands (ev): -51.7878 -51.7878 -51.7736 -51.7736 -24.7427 -24.7427 -24.6892 -24.6892 -16.1721 -16.1721 -16.1608 -16.1608 -16.1009 -16.1009 -15.8680 -15.8680 2.5978 2.5978 4.4123 4.4123 10.0323 10.0323 12.0464 12.0464 12.2030 12.2030 12.3506 12.3506 12.4910 12.4910 14.4007 14.4007 15.5358 15.5358 16.0788 16.0788 16.2731 16.2731 16.5754 16.5754 16.7458 16.7458 17.9899 17.9899 k = 0.0000 0.0000 0.3516 ( 2107 PWs) bands (ev): -51.7874 -51.7874 -51.7734 -51.7734 -24.7435 -24.7435 -24.6908 -24.6908 -16.1769 -16.1769 -16.1661 -16.1661 -16.1005 -16.1005 -15.8702 -15.8702 2.6579 2.6579 4.4674 4.4674 10.0302 10.0302 12.0114 12.0114 12.0442 12.0442 12.3238 12.3238 12.3319 12.3319 14.4134 14.4134 15.5306 15.5306 16.0523 16.0523 16.3587 16.3587 16.6387 16.6387 16.7402 16.7402 18.0433 18.0433 k = 0.0000 0.0000 0.3711 ( 2111 PWs) bands (ev): -51.7871 -51.7871 -51.7732 -51.7732 -24.7446 -24.7446 -24.6924 -24.6924 -16.1822 -16.1822 -16.1717 -16.1717 -16.1001 -16.1001 -15.8726 -15.8726 2.7205 2.7205 4.5240 4.5240 10.0290 10.0290 11.8724 11.8724 11.9928 11.9928 12.1598 12.1598 12.3160 12.3160 14.4258 14.4258 15.5192 15.5192 16.0058 16.0058 16.4619 16.4619 16.6848 16.6848 16.7649 16.7649 18.0966 18.0966 k = 0.0000 0.0000 0.3906 ( 2111 PWs) bands (ev): -51.7867 -51.7867 -51.7730 -51.7730 -24.7456 -24.7456 -24.6941 -24.6941 -16.1875 -16.1875 -16.1775 -16.1775 -16.0997 -16.0997 -15.8750 -15.8750 2.7853 2.7853 4.5819 4.5819 10.0287 10.0287 11.7148 11.7148 11.9653 11.9653 11.9995 11.9995 12.3019 12.3019 14.4378 14.4378 15.5036 15.5036 15.9513 15.9513 16.5674 16.5674 16.6930 16.6930 16.8429 16.8429 18.1498 18.1498 k = 0.0000 0.0000 0.4102 ( 2111 PWs) bands (ev): -51.7863 -51.7863 -51.7728 -51.7728 -24.7466 -24.7466 -24.6959 -24.6959 -16.1931 -16.1931 -16.1835 -16.1835 -16.0993 -16.0993 -15.8775 -15.8775 2.8521 2.8521 4.6407 4.6407 10.0296 10.0296 11.5618 11.5618 11.8422 11.8422 11.9404 11.9404 12.2892 12.2892 14.4490 14.4490 15.4853 15.4853 15.8924 15.8924 16.6379 16.6379 16.7292 16.7292 16.9407 16.9407 18.2030 18.2030 k = 0.0000 0.0000 0.4297 ( 2111 PWs) bands (ev): -51.7859 -51.7859 -51.7725 -51.7725 -24.7477 -24.7477 -24.6977 -24.6977 -16.1987 -16.1987 -16.1895 -16.1895 -16.0988 -16.0988 -15.8801 -15.8801 2.9207 2.9207 4.7001 4.7001 10.0317 10.0317 11.4142 11.4142 11.6897 11.6897 11.9166 11.9166 12.2779 12.2779 14.4593 14.4593 15.4655 15.4655 15.8309 15.8309 16.6428 16.6428 16.8327 16.8327 17.0471 17.0471 18.2559 18.2559 k = 0.0000 0.0000 0.4492 ( 2107 PWs) bands (ev): -51.7854 -51.7854 -51.7723 -51.7723 -24.7488 -24.7488 -24.6995 -24.6995 -16.2045 -16.2045 -16.1956 -16.1956 -16.0983 -16.0983 -15.8827 -15.8827 2.9909 2.9909 4.7596 4.7596 10.0352 10.0352 11.2728 11.2728 11.5417 11.5417 11.8944 11.8944 12.2680 12.2680 14.4684 14.4684 15.4451 15.4451 15.7678 15.7678 16.6347 16.6347 16.9524 16.9524 17.1590 17.1590 18.3087 18.3087 k = 0.0000 0.0000 0.4687 ( 2109 PWs) bands (ev): -51.7850 -51.7850 -51.7721 -51.7721 -24.7499 -24.7499 -24.7015 -24.7015 -16.2104 -16.2104 -16.2020 -16.2020 -16.0977 -16.0977 -15.8854 -15.8854 3.0625 3.0625 4.8187 4.8187 10.0401 10.0401 11.1382 11.1382 11.3988 11.3988 11.8738 11.8738 12.2596 12.2596 14.4761 14.4761 15.4244 15.4244 15.7040 15.7040 16.6259 16.6259 17.0765 17.0765 17.2749 17.2749 18.3612 18.3612 k = 0.0000 0.0000 0.4883 ( 2105 PWs) bands (ev): -51.7845 -51.7845 -51.7718 -51.7718 -24.7511 -24.7511 -24.7034 -24.7034 -16.2163 -16.2163 -16.2084 -16.2084 -16.0971 -16.0971 -15.8881 -15.8881 3.1351 3.1351 4.8771 4.8771 10.0465 10.0465 11.0108 11.0108 11.2611 11.2611 11.8548 11.8548 12.2527 12.2527 14.4823 14.4823 15.4036 15.4036 15.6404 15.6404 16.6185 16.6185 17.2029 17.2029 17.3935 17.3935 18.4134 18.4134 k = 0.0000 0.0000 0.5078 ( 2105 PWs) bands (ev): -51.7841 -51.7841 -51.7716 -51.7716 -24.7522 -24.7522 -24.7054 -24.7054 -16.2224 -16.2224 -16.2149 -16.2149 -16.0964 -16.0964 -15.8910 -15.8910 3.2084 3.2084 4.9341 4.9341 10.0545 10.0545 10.8913 10.8913 11.1292 11.1292 11.8376 11.8376 12.2473 12.2473 14.4866 14.4866 15.3820 15.3820 15.5783 15.5783 16.6137 16.6137 17.3305 17.3305 17.5136 17.5136 18.4652 18.4652 k = 0.0000 0.0000 0.5273 ( 2105 PWs) bands (ev): -51.7836 -51.7836 -51.7713 -51.7713 -24.7533 -24.7533 -24.7074 -24.7074 -16.2285 -16.2285 -16.2214 -16.2214 -16.0957 -16.0957 -15.8940 -15.8940 3.2822 3.2822 4.9893 4.9893 10.0642 10.0642 10.7803 10.7803 11.0034 11.0034 11.8220 11.8220 12.2433 12.2433 14.4891 14.4891 15.3582 15.3582 15.5198 15.5198 16.6118 16.6118 17.4588 17.4588 17.6343 17.6343 18.5166 18.5166 k = 0.0000 0.0000 0.5469 ( 2101 PWs) bands (ev): -51.7831 -51.7831 -51.7711 -51.7711 -24.7545 -24.7545 -24.7094 -24.7094 -16.2346 -16.2346 -16.2280 -16.2280 -16.0949 -16.0949 -15.8970 -15.8970 3.3562 3.3562 5.0420 5.0420 10.0757 10.0757 10.6783 10.6783 10.8840 10.8840 11.8082 11.8082 12.2409 12.2409 14.4895 14.4895 15.3289 15.3289 15.4688 15.4688 16.6133 16.6133 17.5872 17.5872 17.7543 17.7543 18.5670 18.5670 k = 0.0000 0.0000 0.5664 ( 2101 PWs) bands (ev): -51.7827 -51.7827 -51.7708 -51.7708 -24.7556 -24.7556 -24.7115 -24.7115 -16.2408 -16.2408 -16.2346 -16.2346 -16.0941 -16.0941 -15.9000 -15.9000 3.4299 3.4299 5.0918 5.0918 10.0890 10.0890 10.5859 10.5859 10.7714 10.7714 11.7960 11.7960 12.2400 12.2400 14.4878 14.4878 15.2898 15.2898 15.4298 15.4298 16.6185 16.6185 17.7150 17.7150 17.8721 17.8721 18.6157 18.6157 k = 0.0000 0.0000 0.5859 ( 2095 PWs) bands (ev): -51.7822 -51.7822 -51.7706 -51.7706 -24.7567 -24.7567 -24.7136 -24.7136 -16.2469 -16.2469 -16.2412 -16.2412 -16.0932 -16.0932 -15.9030 -15.9030 3.5031 3.5031 5.1380 5.1380 10.1042 10.1042 10.5037 10.5037 10.6661 10.6661 11.7856 11.7856 12.2406 12.2406 14.4840 14.4840 15.2400 15.2400 15.4040 15.4040 16.6276 16.6276 17.8413 17.8413 17.9853 17.9853 18.6596 18.6596 k = 0.0000 0.0000 0.6055 ( 2089 PWs) bands (ev): -51.7817 -51.7817 -51.7703 -51.7703 -24.7578 -24.7578 -24.7156 -24.7156 -16.2530 -16.2530 -16.2478 -16.2478 -16.0923 -16.0923 -15.9061 -15.9061 3.5754 3.5754 5.1800 5.1800 10.1212 10.1212 10.4323 10.4323 10.5685 10.5685 11.7770 11.7770 12.2426 12.2426 14.4780 14.4780 15.1830 15.1830 15.3883 15.3883 16.6406 16.6406 17.9643 17.9643 18.0898 18.0898 18.6841 18.6841 k = 0.0000 0.0000 0.6250 ( 2089 PWs) bands (ev): -51.7812 -51.7812 -51.7700 -51.7700 -24.7589 -24.7589 -24.7178 -24.7178 -16.2592 -16.2592 -16.2544 -16.2544 -16.0913 -16.0913 -15.9093 -15.9093 3.6464 3.6464 5.2173 5.2173 10.1399 10.1399 10.3722 10.3722 10.4789 10.4789 11.7700 11.7700 12.2462 12.2462 14.4699 14.4699 15.1223 15.1223 15.3794 15.3794 16.6576 16.6576 18.0777 18.0777 18.1790 18.1790 18.6564 18.6564 k = 0.0000 0.0000 0.6445 ( 2089 PWs) bands (ev): -51.7807 -51.7807 -51.7698 -51.7698 -24.7600 -24.7600 -24.7199 -24.7199 -16.2653 -16.2653 -16.2609 -16.2609 -16.0903 -16.0903 -15.9125 -15.9125 3.7157 3.7157 5.2495 5.2495 10.1599 10.1599 10.3242 10.3242 10.3980 10.3980 11.7647 11.7647 12.2511 12.2511 14.4599 14.4599 15.0601 15.0601 15.3754 15.3754 16.6787 16.6787 18.1484 18.1484 18.2595 18.2595 18.6244 18.6244 k = 0.0000 0.0000 0.6641 ( 2087 PWs) bands (ev): -51.7802 -51.7802 -51.7695 -51.7695 -24.7611 -24.7611 -24.7220 -24.7220 -16.2714 -16.2714 -16.2674 -16.2674 -16.0892 -16.0892 -15.9158 -15.9158 3.7829 3.7829 5.2761 5.2761 10.1802 10.1802 10.2886 10.2886 10.3272 10.3272 11.7611 11.7611 12.2576 12.2576 14.4479 14.4479 14.9974 14.9974 15.3753 15.3753 16.7036 16.7036 18.1217 18.1217 18.3615 18.3615 18.6439 18.6439 k = 0.0000 0.0000 0.6836 ( 2087 PWs) bands (ev): -51.7797 -51.7797 -51.7693 -51.7693 -24.7622 -24.7622 -24.7242 -24.7242 -16.2775 -16.2775 -16.2738 -16.2738 -16.0880 -16.0880 -15.9191 -15.9191 3.8477 3.8477 5.2968 5.2968 10.1965 10.1965 10.2581 10.2581 10.2787 10.2787 11.7592 11.7592 12.2654 12.2654 14.4341 14.4341 14.9350 14.9350 15.3785 15.3785 16.7322 16.7322 18.0258 18.0258 18.4729 18.4729 18.7056 18.7056 k = 0.0000 0.0000 0.7031 ( 2087 PWs) bands (ev): -51.7792 -51.7792 -51.7691 -51.7691 -24.7633 -24.7633 -24.7263 -24.7263 -16.2835 -16.2835 -16.2801 -16.2801 -16.0868 -16.0868 -15.9224 -15.9224 3.9097 3.9097 5.3113 5.3113 10.1890 10.1890 10.2288 10.2288 10.2764 10.2764 11.7589 11.7589 12.2745 12.2745 14.4187 14.4187 14.8731 14.8731 15.3850 15.3850 16.7643 16.7643 17.8975 17.8975 18.5836 18.5836 18.7833 18.7833 k = 0.0000 0.0000 0.7227 ( 2087 PWs) bands (ev): -51.7787 -51.7787 -51.7688 -51.7688 -24.7643 -24.7643 -24.7285 -24.7285 -16.2894 -16.2894 -16.2864 -16.2864 -16.0856 -16.0856 -15.9257 -15.9257 3.9686 3.9686 5.3196 5.3196 10.1523 10.1523 10.2308 10.2308 10.2963 10.2963 11.7603 11.7603 12.2850 12.2850 14.4020 14.4020 14.8121 14.8121 15.3944 15.3944 16.7996 16.7996 17.7536 17.7536 18.6909 18.6909 18.8625 18.8625 k = 0.0000 0.0000 0.7422 ( 2079 PWs) bands (ev): -51.7782 -51.7782 -51.7686 -51.7686 -24.7652 -24.7652 -24.7305 -24.7305 -16.2951 -16.2951 -16.2925 -16.2925 -16.0842 -16.0842 -15.9290 -15.9290 4.0240 4.0240 5.3217 5.3217 10.1188 10.1188 10.2437 10.2437 10.3261 10.3261 11.7632 11.7632 12.2968 12.2968 14.3840 14.3840 14.7522 14.7522 15.4066 15.4066 16.8375 16.8375 17.6015 17.6015 18.7937 18.7937 18.9361 18.9361 k = 0.0000 0.0000 0.7617 ( 2087 PWs) bands (ev): -51.7777 -51.7777 -51.7684 -51.7684 -24.7663 -24.7663 -24.7327 -24.7327 -16.3010 -16.3010 -16.2986 -16.2986 -16.0829 -16.0829 -15.9324 -15.9324 4.0757 4.0757 5.3178 5.3178 10.0941 10.0941 10.2662 10.2662 10.3615 10.3615 11.7676 11.7676 12.3099 12.3099 14.3650 14.3650 14.6934 14.6934 15.4215 15.4215 16.8772 16.8772 17.4455 17.4455 18.8907 18.8907 19.0012 19.0012 k = 0.0000 0.0000 0.7812 ( 2087 PWs) bands (ev): -51.7772 -51.7772 -51.7682 -51.7682 -24.7673 -24.7673 -24.7348 -24.7348 -16.3066 -16.3066 -16.3045 -16.3045 -16.0814 -16.0814 -15.9358 -15.9358 4.1235 4.1235 5.3081 5.3081 10.0790 10.0790 10.2984 10.2984 10.4013 10.4013 11.7736 11.7736 12.3242 12.3242 14.3452 14.3452 14.6361 14.6361 15.4389 15.4389 16.9162 16.9162 17.2900 17.2900 18.9806 18.9806 19.0582 19.0582 k = 0.0000 0.0000 0.8008 ( 2094 PWs) bands (ev): -51.7767 -51.7767 -51.7680 -51.7680 -24.7683 -24.7683 -24.7369 -24.7369 -16.3122 -16.3122 -16.3103 -16.3103 -16.0800 -16.0800 -15.9392 -15.9392 4.1672 4.1672 5.2929 5.2929 10.0738 10.0738 10.3393 10.3393 10.4453 10.4453 11.7812 11.7812 12.3397 12.3397 14.3248 14.3248 14.5802 14.5802 15.4585 15.4585 16.9433 16.9433 17.1475 17.1475 19.0597 19.0597 19.1113 19.1113 k = 0.0000 0.0000 0.8203 ( 2102 PWs) bands (ev): -51.7762 -51.7762 -51.7678 -51.7678 -24.7693 -24.7693 -24.7389 -24.7389 -16.3176 -16.3176 -16.3159 -16.3159 -16.0785 -16.0785 -15.9426 -15.9426 4.2066 4.2066 5.2727 5.2727 10.0786 10.0786 10.3877 10.3877 10.4941 10.4941 11.7902 11.7902 12.3563 12.3563 14.3040 14.3040 14.5260 14.5260 15.4799 15.4799 16.8969 16.8969 17.0806 17.0806 19.1194 19.1194 19.1699 19.1699 k = 0.0000 0.0000 0.8398 ( 2096 PWs) bands (ev): -51.7757 -51.7757 -51.7676 -51.7676 -24.7702 -24.7702 -24.7408 -24.7408 -16.3228 -16.3228 -16.3213 -16.3213 -16.0769 -16.0769 -15.9459 -15.9459 4.2419 4.2419 5.2481 5.2481 10.0932 10.0932 10.4418 10.4418 10.5485 10.5485 11.8008 11.8008 12.3742 12.3742 14.2829 14.2829 14.4735 14.4735 15.5026 15.5026 16.7621 16.7621 17.1055 17.1055 19.1594 19.1594 19.2345 19.2345 k = 0.0000 0.0000 0.8594 ( 2092 PWs) bands (ev): -51.7752 -51.7752 -51.7675 -51.7675 -24.7709 -24.7709 -24.7428 -24.7428 -16.3279 -16.3279 -16.3265 -16.3265 -16.0752 -16.0752 -15.9492 -15.9492 4.2730 4.2730 5.2196 5.2196 10.1173 10.1173 10.4995 10.4995 10.6097 10.6097 11.8129 11.8129 12.3931 12.3931 14.2617 14.2617 14.4230 14.4230 15.5255 15.5255 16.6103 16.6103 17.1519 17.1519 19.1879 19.1879 19.2960 19.2960 k = 0.0000 0.0000 0.8789 ( 2094 PWs) bands (ev): -51.7747 -51.7747 -51.7673 -51.7673 -24.7717 -24.7717 -24.7447 -24.7447 -16.3328 -16.3328 -16.3316 -16.3316 -16.0735 -16.0735 -15.9526 -15.9526 4.3000 4.3000 5.1877 5.1877 10.1508 10.1508 10.5589 10.5589 10.6783 10.6783 11.8267 11.8267 12.4131 12.4131 14.2404 14.2404 14.3746 14.3746 15.5468 15.5468 16.4593 16.4593 17.2040 17.2040 19.2074 19.2074 19.3496 19.3496 k = 0.0000 0.0000 0.8984 ( 2086 PWs) bands (ev): -51.7742 -51.7742 -51.7671 -51.7671 -24.7724 -24.7724 -24.7465 -24.7465 -16.3375 -16.3375 -16.3364 -16.3364 -16.0717 -16.0717 -15.9559 -15.9559 4.3231 4.3231 5.1530 5.1530 10.1931 10.1931 10.6191 10.6191 10.7542 10.7542 11.8422 11.8422 12.4342 12.4342 14.2191 14.2191 14.3287 14.3287 15.5632 15.5632 16.3156 16.3156 17.2589 17.2589 19.2166 19.2166 19.3885 19.3885 k = 0.0000 0.0000 0.9180 ( 2090 PWs) bands (ev): -51.7738 -51.7738 -51.7670 -51.7670 -24.7731 -24.7731 -24.7484 -24.7484 -16.3422 -16.3422 -16.3411 -16.3411 -16.0698 -16.0698 -15.9593 -15.9593 4.3424 4.3424 5.1160 5.1160 10.2436 10.2436 10.6799 10.6799 10.8361 10.8361 11.8596 11.8596 12.4564 12.4564 14.1975 14.1975 14.2856 14.2856 15.5681 15.5681 16.1869 16.1869 17.3154 17.3154 19.2107 19.2107 19.3913 19.3913 k = 0.0000 0.0000 0.9375 ( 2090 PWs) bands (ev): -51.7733 -51.7733 -51.7669 -51.7669 -24.7737 -24.7737 -24.7502 -24.7502 -16.3466 -16.3466 -16.3457 -16.3457 -16.0679 -16.0679 -15.9626 -15.9626 4.3584 4.3584 5.0773 5.0773 10.3018 10.3018 10.7416 10.7416 10.9224 10.9224 11.8791 11.8791 12.4798 12.4798 14.1751 14.1751 14.2463 14.2463 15.5502 15.5502 16.0852 16.0852 17.3728 17.3728 19.1793 19.1793 19.3567 19.3567 k = 0.0000 0.0000 0.9570 ( 2082 PWs) bands (ev): -51.7729 -51.7729 -51.7667 -51.7667 -24.7742 -24.7742 -24.7518 -24.7518 -16.3508 -16.3508 -16.3499 -16.3499 -16.0659 -16.0659 -15.9659 -15.9659 4.3713 4.3713 5.0375 5.0375 10.3668 10.3668 10.8049 10.8049 11.0108 11.0108 11.9010 11.9010 12.5043 12.5043 14.1510 14.1510 14.2118 14.2118 15.4965 15.4965 16.0240 16.0240 17.4307 17.4307 19.1130 19.1130 19.3199 19.3199 k = 0.0000 0.0000 0.9766 ( 2086 PWs) bands (ev): -51.7725 -51.7725 -51.7666 -51.7666 -24.7747 -24.7747 -24.7536 -24.7536 -16.3548 -16.3548 -16.3540 -16.3540 -16.0638 -16.0638 -15.9692 -15.9692 4.3814 4.3814 4.9968 4.9968 10.4378 10.4378 10.8699 10.8699 11.0995 11.0995 11.9258 11.9258 12.5299 12.5299 14.1245 14.1245 14.1832 14.1832 15.4050 15.4050 16.0055 16.0055 17.4887 17.4887 19.0190 19.0190 19.2886 19.2886 k = 0.0000 0.0000 0.9961 ( 2092 PWs) bands (ev): -51.7721 -51.7721 -51.7666 -51.7666 -24.7752 -24.7752 -24.7553 -24.7553 -16.3587 -16.3587 -16.3580 -16.3580 -16.0618 -16.0618 -15.9726 -15.9726 4.3892 4.3892 4.9559 4.9559 10.5138 10.5138 10.9372 10.9372 11.1862 11.1862 11.9538 11.9538 12.5569 12.5569 14.0960 14.0960 14.1602 14.1602 15.2877 15.2877 16.0182 16.0182 17.5463 17.5463 18.9105 18.9105 19.2554 19.2554 k = 0.0000 0.0000 1.0156 ( 2098 PWs) bands (ev): -51.7717 -51.7717 -51.7665 -51.7665 -24.7758 -24.7758 -24.7569 -24.7569 -16.3624 -16.3624 -16.3617 -16.3617 -16.0598 -16.0598 -15.9758 -15.9758 4.3949 4.3949 4.9150 4.9150 10.5938 10.5938 11.0069 11.0069 11.2687 11.2687 11.9857 11.9857 12.5852 12.5852 14.0673 14.0673 14.1414 14.1414 15.1569 15.1569 16.0500 16.0500 17.6031 17.6031 18.7952 18.7952 19.2145 19.2145 k = 0.0000 0.0000 1.0352 ( 2094 PWs) bands (ev): -51.7713 -51.7713 -51.7664 -51.7664 -24.7760 -24.7760 -24.7585 -24.7585 -16.3658 -16.3658 -16.3651 -16.3651 -16.0575 -16.0575 -15.9791 -15.9791 4.3991 4.3991 4.8746 4.8746 10.6765 10.6765 11.0793 11.0793 11.3451 11.3451 12.0217 12.0217 12.6150 12.6150 14.0398 14.0398 14.1256 14.1256 15.0202 15.0202 16.0935 16.0935 17.6588 17.6588 18.6771 18.6771 19.1630 19.1630 k = 0.0000 0.0000 1.0547 ( 2092 PWs) bands (ev): -51.7709 -51.7709 -51.7664 -51.7664 -24.7763 -24.7763 -24.7600 -24.7600 -16.3690 -16.3690 -16.3683 -16.3683 -16.0553 -16.0553 -15.9823 -15.9823 4.4020 4.4020 4.8349 4.8349 10.7606 10.7606 11.1546 11.1546 11.4135 11.4135 12.0619 12.0619 12.6464 12.6464 14.0146 14.0146 14.1120 14.1120 14.8819 14.8819 16.1449 16.1449 17.7129 17.7129 18.5581 18.5581 19.0996 19.0996 k = 0.0000 0.0000 1.0742 ( 2102 PWs) bands (ev): -51.7706 -51.7706 -51.7664 -51.7664 -24.7765 -24.7765 -24.7616 -24.7616 -16.3721 -16.3721 -16.3714 -16.3714 -16.0530 -16.0530 -15.9856 -15.9856 4.4040 4.4040 4.7962 4.7962 10.8449 10.8449 11.2330 11.2330 11.4727 11.4727 12.1057 12.1057 12.6796 12.6796 13.9922 13.9922 14.0999 14.0999 14.7443 14.7443 16.2022 16.2022 17.7647 17.7647 18.4394 18.4394 19.0247 19.0247 k = 0.0000 0.0000 1.0937 ( 2102 PWs) bands (ev): -51.7702 -51.7702 -51.7664 -51.7664 -24.7767 -24.7767 -24.7629 -24.7629 -16.3748 -16.3748 -16.3741 -16.3741 -16.0507 -16.0507 -15.9888 -15.9888 4.4056 4.4056 4.7588 4.7588 10.9280 10.9280 11.3144 11.3144 11.5223 11.5223 12.1517 12.1517 12.7148 12.7148 13.9730 13.9730 14.0891 14.0891 14.6092 14.6092 16.2642 16.2642 17.8141 17.8141 18.3216 18.3216 18.9402 18.9402 k = 0.0000 0.0000 1.1133 ( 2106 PWs) bands (ev): -51.7699 -51.7699 -51.7664 -51.7664 -24.7768 -24.7768 -24.7643 -24.7643 -16.3773 -16.3773 -16.3767 -16.3767 -16.0484 -16.0484 -15.9920 -15.9920 4.4070 4.4070 4.7229 4.7229 11.0088 11.0088 11.3987 11.3987 11.5625 11.5625 12.1979 12.1979 12.7522 12.7522 13.9569 13.9569 14.0788 14.0788 14.4785 14.4785 16.3301 16.3301 17.8602 17.8602 18.2054 18.2054 18.8488 18.8488 k = 0.0000 0.0000 1.1328 ( 2102 PWs) bands (ev): -51.7695 -51.7695 -51.7664 -51.7664 -24.7768 -24.7768 -24.7655 -24.7655 -16.3796 -16.3796 -16.3790 -16.3790 -16.0459 -16.0459 -15.9951 -15.9951 4.4086 4.4086 4.6886 4.6886 11.0863 11.0863 11.4847 11.4847 11.5946 11.5946 12.2416 12.2416 12.7919 12.7919 13.9430 13.9430 14.0683 14.0683 14.3547 14.3547 16.3997 16.3997 17.9024 17.9024 18.0913 18.0913 18.7541 18.7541 k = 0.0000 0.0000 1.1523 ( 2106 PWs) bands (ev): -51.7692 -51.7692 -51.7664 -51.7664 -24.7768 -24.7768 -24.7668 -24.7668 -16.3816 -16.3816 -16.3811 -16.3811 -16.0434 -16.0434 -15.9982 -15.9982 4.4106 4.4106 4.6562 4.6562 11.1596 11.1596 11.5678 11.5678 11.6234 11.6234 12.2804 12.2804 12.8343 12.8343 13.9287 13.9287 14.0551 14.0551 14.2430 14.2430 16.4725 16.4725 17.9360 17.9360 17.9839 17.9839 18.6593 18.6593 k = 0.0000 0.0000 1.1719 ( 2106 PWs) bands (ev): -51.7689 -51.7689 -51.7665 -51.7665 -24.7766 -24.7766 -24.7679 -24.7679 -16.3834 -16.3834 -16.3830 -16.3830 -16.0409 -16.0409 -16.0013 -16.0013 4.4134 4.4134 4.6256 4.6256 11.2284 11.2284 11.6175 11.6175 11.6793 11.6793 12.3118 12.3118 12.8797 12.8797 13.9054 13.9054 14.0353 14.0353 14.1565 14.1565 16.5484 16.5484 17.8636 17.8636 17.9803 17.9803 18.5677 18.5677 k = 0.0000 0.0000 1.1914 ( 2102 PWs) bands (ev): -51.7687 -51.7687 -51.7665 -51.7665 -24.7764 -24.7764 -24.7690 -24.7690 -16.3850 -16.3850 -16.3846 -16.3846 -16.0382 -16.0382 -16.0044 -16.0044 4.4172 4.4172 4.5971 4.5971 11.2922 11.2922 11.6315 11.6315 11.7641 11.7641 12.3337 12.3337 12.9284 12.9284 13.8552 13.8552 14.0126 14.0126 14.1089 14.1089 16.6271 16.6271 17.7565 17.7565 18.0096 18.0096 18.4817 18.4817 k = 0.0000 0.0000 1.2109 ( 2098 PWs) bands (ev): -51.7684 -51.7684 -51.7666 -51.7666 -24.7761 -24.7761 -24.7699 -24.7699 -16.3863 -16.3863 -16.3859 -16.3859 -16.0356 -16.0356 -16.0073 -16.0073 4.4221 4.4221 4.5708 4.5708 11.3509 11.3509 11.6352 11.6352 11.8514 11.8514 12.3447 12.3447 12.9810 12.9810 13.7741 13.7741 14.0025 14.0025 14.0879 14.0879 16.7085 16.7085 17.6505 17.6505 18.0359 18.0359 18.4036 18.4036 k = 0.0000 0.0000 1.2305 ( 2098 PWs) bands (ev): -51.7681 -51.7681 -51.7667 -51.7667 -24.7758 -24.7758 -24.7708 -24.7708 -16.3873 -16.3873 -16.3870 -16.3870 -16.0330 -16.0330 -16.0103 -16.0103 4.4285 4.4285 4.5465 4.5465 11.4043 11.4043 11.6323 11.6323 11.9365 11.9365 12.3437 12.3437 13.0378 13.0378 13.6797 13.6797 14.0040 14.0040 14.0764 14.0764 16.7925 16.7925 17.5466 17.5466 18.0593 18.0593 18.3345 18.3345 k = 0.0000 0.0000 1.2500 ( 2094 PWs) bands (ev): -51.7679 -51.7679 -51.7668 -51.7668 -24.7754 -24.7754 -24.7716 -24.7716 -16.3881 -16.3881 -16.3879 -16.3879 -16.0302 -16.0302 -16.0132 -16.0132 4.4364 4.4364 4.5244 4.5244 11.4522 11.4522 11.6234 11.6234 12.0173 12.0173 12.3303 12.3303 13.0993 13.0993 13.5834 13.5834 14.0112 14.0112 14.0678 14.0678 16.8789 16.8789 17.4448 17.4448 18.0808 18.0808 18.2751 18.2751 k = 0.0000 0.0000 1.2695 ( 2094 PWs) bands (ev): -51.7676 -51.7676 -51.7670 -51.7670 -24.7750 -24.7750 -24.7724 -24.7724 -16.3887 -16.3887 -16.3886 -16.3886 -16.0275 -16.0275 -16.0161 -16.0161 4.4461 4.4461 4.5046 4.5046 11.4947 11.4947 11.6088 11.6088 12.0922 12.0922 12.3046 12.3046 13.1661 13.1661 13.4897 13.4897 14.0209 14.0209 14.0596 14.0596 16.9677 16.9677 17.3451 17.3451 18.1021 18.1021 18.2255 18.2255 k = 0.0000 0.0000 1.2891 ( 2098 PWs) bands (ev): -51.7675 -51.7675 -51.7671 -51.7671 -24.7745 -24.7745 -24.7732 -24.7732 -16.3891 -16.3891 -16.3890 -16.3890 -16.0247 -16.0247 -16.0190 -16.0190 4.4577 4.4577 4.4868 4.4868 11.5316 11.5316 11.5886 11.5886 12.1597 12.1597 12.2670 12.2670 13.2385 13.2385 13.4005 13.4005 14.0314 14.0314 14.0510 14.0510 17.0588 17.0588 17.2475 17.2475 18.1251 18.1251 18.1849 18.1849 k = 0.0000 0.0000 1.3086 ( 2098 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3892 -16.3892 -16.3892 -16.3892 -16.0219 -16.0219 -16.0219 -16.0219 4.4712 4.4712 4.4712 4.4712 11.5629 11.5629 11.5629 11.5629 12.2184 12.2184 12.2184 12.2184 13.3166 13.3166 13.3166 13.3166 14.0416 14.0416 14.0416 14.0416 17.1521 17.1521 17.1521 17.1521 18.1520 18.1520 18.1520 18.1520 k = 0.0000 0.0000 1.3086 ( 2098 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3892 -16.3892 -16.3892 -16.3892 -16.0219 -16.0219 -16.0219 -16.0219 4.4712 4.4712 4.4712 4.4712 11.5629 11.5629 11.5629 11.5629 12.2184 12.2184 12.2184 12.2184 13.3166 13.3166 13.3166 13.3166 14.0416 14.0416 14.0416 14.0416 17.1521 17.1521 17.1521 17.1521 18.1520 18.1520 18.1520 18.1520 k =-0.0071 0.0172 1.3086 ( 2098 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7738 -24.7738 -24.7738 -24.7738 -16.3892 -16.3892 -16.3889 -16.3889 -16.0220 -16.0220 -16.0217 -16.0217 4.4719 4.4719 4.4724 4.4724 11.5534 11.5534 11.5611 11.5611 12.2166 12.2166 12.2185 12.2185 13.3091 13.3091 13.3193 13.3193 14.0356 14.0356 14.0547 14.0547 17.1424 17.1424 17.1581 17.1581 18.1470 18.1470 18.1727 18.1727 k =-0.0142 0.0345 1.3086 ( 2102 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7738 -24.7738 -24.7738 -24.7738 -16.3891 -16.3891 -16.3885 -16.3885 -16.0222 -16.0222 -16.0216 -16.0216 4.4744 4.4744 4.4754 4.4754 11.5328 11.5328 11.5481 11.5481 12.2130 12.2130 12.2170 12.2170 13.2967 13.2967 13.3173 13.3173 14.0367 14.0367 14.0748 14.0748 17.1303 17.1303 17.1599 17.1599 18.1580 18.1580 18.2078 18.2078 k =-0.0214 0.0517 1.3086 ( 2106 PWs) bands (ev): -51.7674 -51.7674 -51.7674 -51.7674 -24.7737 -24.7737 -24.7737 -24.7737 -16.3887 -16.3887 -16.3878 -16.3878 -16.0223 -16.0223 -16.0214 -16.0214 4.4787 4.4787 4.4802 4.4802 11.5017 11.5017 11.5240 11.5240 12.2080 12.2080 12.2140 12.2140 13.2794 13.2794 13.3104 13.3104 14.0446 14.0446 14.1016 14.1016 17.1177 17.1177 17.1584 17.1584 18.1838 18.1838 18.2549 18.2549 k =-0.0285 0.0689 1.3086 ( 2108 PWs) bands (ev): -51.7674 -51.7674 -51.7674 -51.7674 -24.7735 -24.7735 -24.7735 -24.7735 -16.3881 -16.3881 -16.3869 -16.3869 -16.0223 -16.0223 -16.0211 -16.0211 4.4848 4.4848 4.4867 4.4867 11.4608 11.4608 11.4895 11.4895 12.2015 12.2015 12.2096 12.2096 13.2572 13.2572 13.2985 13.2985 14.0591 14.0591 14.1347 14.1347 17.1067 17.1067 17.1549 17.1549 18.2221 18.2221 18.3113 18.3113 k =-0.0356 0.0861 1.3086 ( 2108 PWs) bands (ev): -51.7675 -51.7675 -51.7675 -51.7675 -24.7732 -24.7732 -24.7732 -24.7732 -16.3872 -16.3872 -16.3858 -16.3858 -16.0223 -16.0223 -16.0208 -16.0208 4.4925 4.4925 4.4949 4.4949 11.4110 11.4110 11.4452 11.4452 12.1939 12.1939 12.2039 12.2039 13.2302 13.2302 13.2817 13.2817 14.0796 14.0796 14.1733 14.1733 17.0993 17.0993 17.1514 17.1514 18.2700 18.2700 18.3741 18.3741 k =-0.0427 0.1034 1.3086 ( 2116 PWs) bands (ev): -51.7676 -51.7676 -51.7676 -51.7676 -24.7729 -24.7729 -24.7729 -24.7729 -16.3862 -16.3862 -16.3845 -16.3845 -16.0224 -16.0224 -16.0205 -16.0205 4.5018 4.5018 4.5047 4.5047 11.3532 11.3532 11.3921 11.3921 12.1853 12.1853 12.1972 12.1972 13.1987 13.1987 13.2598 13.2598 14.1055 14.1055 14.2166 14.2166 17.0969 17.0969 17.1499 17.1499 18.3246 18.3246 18.4405 18.4405 k =-0.0427 0.1034 1.3086 ( 2116 PWs) bands (ev): -51.7676 -51.7676 -51.7676 -51.7676 -24.7729 -24.7729 -24.7729 -24.7729 -16.3862 -16.3862 -16.3845 -16.3845 -16.0224 -16.0224 -16.0205 -16.0205 4.5018 4.5018 4.5047 4.5047 11.3532 11.3532 11.3921 11.3921 12.1853 12.1853 12.1972 12.1972 13.1987 13.1987 13.2598 13.2598 14.1055 14.1055 14.2166 14.2166 17.0969 17.0969 17.1499 17.1499 18.3246 18.3246 18.4405 18.4405 k =-0.0479 0.1159 1.2950 ( 2118 PWs) bands (ev): -51.7678 -51.7678 -51.7676 -51.7676 -24.7731 -24.7731 -24.7722 -24.7722 -16.3853 -16.3853 -16.3833 -16.3833 -16.0235 -16.0235 -16.0190 -16.0190 4.5017 4.5017 4.5217 4.5217 11.2939 11.2939 11.3583 11.3583 12.1609 12.1609 12.2048 12.2048 13.1403 13.1403 13.2756 13.2756 14.1276 14.1276 14.2513 14.2513 17.0578 17.0578 17.1935 17.1935 18.3635 18.3635 18.4943 18.4943 k =-0.0531 0.1285 1.2814 ( 2114 PWs) bands (ev): -51.7680 -51.7680 -51.7675 -51.7675 -24.7731 -24.7731 -24.7713 -24.7713 -16.3841 -16.3841 -16.3819 -16.3819 -16.0251 -16.0251 -16.0169 -16.0169 4.5022 4.5022 4.5417 4.5417 11.2187 11.2187 11.3278 11.3278 12.1319 12.1319 12.2075 12.2075 13.0629 13.0629 13.3087 13.3087 14.1525 14.1525 14.2892 14.2892 17.0055 17.0055 17.2593 17.2593 18.3969 18.3969 18.5554 18.5554 k =-0.0583 0.1411 1.2678 ( 2116 PWs) bands (ev): -51.7682 -51.7682 -51.7675 -51.7675 -24.7731 -24.7731 -24.7705 -24.7705 -16.3827 -16.3827 -16.3803 -16.3803 -16.0268 -16.0268 -16.0147 -16.0147 4.5044 4.5044 4.5634 4.5634 11.1357 11.1357 11.2935 11.2935 12.1025 12.1025 12.2017 12.2017 12.9827 12.9827 13.3424 13.3424 14.1797 14.1797 14.3311 14.3311 16.9576 16.9576 17.3305 17.3305 18.4239 18.4239 18.6210 18.6210 k =-0.0635 0.1536 1.2542 ( 2116 PWs) bands (ev): -51.7685 -51.7685 -51.7675 -51.7675 -24.7730 -24.7730 -24.7696 -24.7696 -16.3811 -16.3811 -16.3785 -16.3785 -16.0284 -16.0284 -16.0125 -16.0125 4.5085 4.5085 4.5867 4.5867 11.0468 11.0468 11.2544 11.2544 12.0726 12.0726 12.1884 12.1884 12.9018 12.9018 13.3742 13.3742 14.2089 14.2089 14.3775 14.3775 16.9161 16.9161 17.4058 17.4058 18.4443 18.4443 18.6883 18.6883 k =-0.0687 0.1662 1.2406 ( 2118 PWs) bands (ev): -51.7687 -51.7687 -51.7675 -51.7675 -24.7730 -24.7730 -24.7687 -24.7687 -16.3793 -16.3793 -16.3766 -16.3766 -16.0300 -16.0300 -16.0102 -16.0102 4.5143 4.5143 4.6116 4.6116 10.9533 10.9533 11.2102 11.2102 12.0417 12.0417 12.1687 12.1687 12.8210 12.8210 13.4029 13.4029 14.2394 14.2394 14.4289 14.4289 16.8818 16.8818 17.4850 17.4850 18.4577 18.4577 18.7548 18.7548 k =-0.0739 0.1788 1.2270 ( 2112 PWs) bands (ev): -51.7689 -51.7689 -51.7676 -51.7676 -24.7728 -24.7728 -24.7675 -24.7675 -16.3773 -16.3773 -16.3744 -16.3744 -16.0315 -16.0315 -16.0078 -16.0078 4.5218 4.5218 4.6380 4.6380 10.8561 10.8561 11.1611 11.1611 12.0094 12.0094 12.1438 12.1438 12.7410 12.7410 13.4279 13.4279 14.2710 14.2710 14.4854 14.4854 16.8554 16.8554 17.5676 17.5676 18.4646 18.4646 18.8181 18.8181 k =-0.0791 0.1913 1.2134 ( 2104 PWs) bands (ev): -51.7692 -51.7692 -51.7676 -51.7676 -24.7725 -24.7725 -24.7663 -24.7663 -16.3751 -16.3751 -16.3720 -16.3720 -16.0329 -16.0329 -16.0052 -16.0052 4.5310 4.5310 4.6659 4.6659 10.7559 10.7559 11.1071 11.1071 11.9752 11.9752 12.1150 12.1150 12.6625 12.6625 13.4488 13.4488 14.3033 14.3033 14.5466 14.5466 16.8375 16.8375 17.6531 17.6531 18.4657 18.4657 18.8760 18.8760 k =-0.0843 0.2039 1.1998 ( 2102 PWs) bands (ev): -51.7695 -51.7695 -51.7677 -51.7677 -24.7722 -24.7722 -24.7652 -24.7652 -16.3728 -16.3728 -16.3696 -16.3696 -16.0343 -16.0343 -16.0027 -16.0027 4.5417 4.5417 4.6951 4.6951 10.6533 10.6533 11.0486 11.0486 11.9385 11.9385 12.0833 12.0833 12.5862 12.5862 13.4654 13.4654 14.3362 14.3362 14.6119 14.6119 16.8285 16.8285 17.7409 17.7409 18.4618 18.4618 18.9268 18.9268 k =-0.0895 0.2165 1.1862 ( 2101 PWs) bands (ev): -51.7698 -51.7698 -51.7677 -51.7677 -24.7718 -24.7718 -24.7641 -24.7641 -16.3704 -16.3704 -16.3670 -16.3670 -16.0355 -16.0355 -16.0002 -16.0002 4.5539 4.5539 4.7257 4.7257 10.5489 10.5489 10.9858 10.9858 11.8989 11.8989 12.0495 12.0495 12.5129 12.5129 13.4776 13.4776 14.3698 14.3698 14.6805 14.6805 16.8290 16.8290 17.8303 17.8303 18.4542 18.4542 18.9694 18.9694 k =-0.0947 0.2290 1.1726 ( 2099 PWs) bands (ev): -51.7701 -51.7701 -51.7678 -51.7678 -24.7714 -24.7714 -24.7629 -24.7629 -16.3678 -16.3678 -16.3643 -16.3643 -16.0367 -16.0367 -15.9976 -15.9976 4.5675 4.5675 4.7576 4.7576 10.4433 10.4433 10.9191 10.9191 11.8561 11.8561 12.0144 12.0144 12.4430 12.4430 13.4857 13.4857 14.4041 14.4041 14.7514 14.7514 16.8394 16.8394 17.9203 17.9203 18.4444 18.4444 19.0035 19.0035 k =-0.0999 0.2416 1.1590 ( 2099 PWs) bands (ev): -51.7704 -51.7704 -51.7679 -51.7679 -24.7709 -24.7709 -24.7617 -24.7617 -16.3652 -16.3652 -16.3615 -16.3615 -16.0378 -16.0378 -15.9949 -15.9949 4.5824 4.5824 4.7906 4.7906 10.3368 10.3368 10.8490 10.8490 11.8102 11.8102 11.9784 11.9784 12.3771 12.3771 13.4896 13.4896 14.4392 14.4392 14.8237 14.8237 16.8599 16.8599 18.0090 18.0090 18.4343 18.4343 19.0293 19.0293 k =-0.1051 0.2542 1.1454 ( 2101 PWs) bands (ev): -51.7707 -51.7707 -51.7680 -51.7680 -24.7704 -24.7704 -24.7605 -24.7605 -16.3626 -16.3626 -16.3586 -16.3586 -16.0387 -16.0387 -15.9922 -15.9922 4.5986 4.5986 4.8246 4.8246 10.2299 10.2299 10.7760 10.7760 11.7611 11.7611 11.9418 11.9418 12.3157 12.3157 13.4895 13.4895 14.4751 14.4751 14.8968 14.8968 16.8906 16.8906 18.0936 18.0936 18.4272 18.4272 19.0474 19.0474 k =-0.1103 0.2667 1.1318 ( 2096 PWs) bands (ev): -51.7710 -51.7710 -51.7681 -51.7681 -24.7699 -24.7699 -24.7591 -24.7591 -16.3597 -16.3597 -16.3557 -16.3557 -16.0395 -16.0395 -15.9893 -15.9893 4.6159 4.6159 4.8596 4.8596 10.1230 10.1230 10.7005 10.7005 11.7092 11.7092 11.9049 11.9049 12.2588 12.2588 13.4856 13.4856 14.5119 14.5119 14.9702 14.9702 16.9316 16.9316 18.1678 18.1678 18.4293 18.4293 19.0588 19.0588 k =-0.1155 0.2793 1.1182 ( 2096 PWs) bands (ev): -51.7713 -51.7713 -51.7682 -51.7682 -24.7693 -24.7693 -24.7578 -24.7578 -16.3570 -16.3570 -16.3527 -16.3527 -16.0402 -16.0402 -15.9865 -15.9865 4.6344 4.6344 4.8954 4.8954 10.0163 10.0163 10.6232 10.6232 11.6549 11.6549 11.8676 11.8676 12.2065 12.2065 13.4781 13.4781 14.5496 14.5496 15.0432 15.0432 16.9827 16.9827 18.2205 18.2205 18.4515 18.4515 19.0644 19.0644 k =-0.1207 0.2919 1.1046 ( 2096 PWs) bands (ev): -51.7717 -51.7717 -51.7684 -51.7684 -24.7687 -24.7687 -24.7566 -24.7566 -16.3542 -16.3542 -16.3498 -16.3498 -16.0408 -16.0408 -15.9835 -15.9835 4.6538 4.6538 4.9320 4.9320 9.9103 9.9103 10.5446 10.5446 11.5988 11.5988 11.8302 11.8302 12.1584 12.1584 13.4670 13.4670 14.5881 14.5881 15.1158 15.1158 17.0436 17.0436 18.2442 18.2442 18.5011 18.5011 19.0648 19.0648 k =-0.1259 0.3044 1.0910 ( 2098 PWs) bands (ev): -51.7720 -51.7720 -51.7685 -51.7685 -24.7681 -24.7681 -24.7553 -24.7553 -16.3514 -16.3514 -16.3468 -16.3468 -16.0412 -16.0412 -15.9805 -15.9805 4.6740 4.6740 4.9691 4.9691 9.8052 9.8052 10.4652 10.4652 11.5415 11.5415 11.7927 11.7927 12.1144 12.1144 13.4526 13.4526 14.6273 14.6273 15.1879 15.1879 17.1138 17.1138 18.2462 18.2462 18.5694 18.5694 19.0607 19.0607 k =-0.1311 0.3170 1.0774 ( 2100 PWs) bands (ev): -51.7724 -51.7724 -51.7687 -51.7687 -24.7675 -24.7675 -24.7540 -24.7540 -16.3486 -16.3486 -16.3439 -16.3439 -16.0416 -16.0416 -15.9775 -15.9775 4.6951 4.6951 5.0066 5.0066 9.7014 9.7014 10.3857 10.3857 11.4836 11.4836 11.7554 11.7554 12.0739 12.0739 13.4350 13.4350 14.6671 14.6671 15.2594 15.2594 17.1927 17.1927 18.2381 18.2381 18.6441 18.6441 19.0529 19.0529 k =-0.1363 0.3296 1.0638 ( 2098 PWs) bands (ev): -51.7727 -51.7727 -51.7688 -51.7688 -24.7668 -24.7668 -24.7526 -24.7526 -16.3459 -16.3459 -16.3409 -16.3409 -16.0417 -16.0417 -15.9743 -15.9743 4.7168 4.7168 5.0445 5.0445 9.5990 9.5990 10.3064 10.3064 11.4257 11.4257 11.7184 11.7184 12.0365 12.0365 13.4145 13.4145 14.7075 14.7075 15.3305 15.3305 17.2796 17.2796 18.2258 18.2258 18.7165 18.7165 19.0419 19.0419 k =-0.1415 0.3421 1.0502 ( 2094 PWs) bands (ev): -51.7730 -51.7730 -51.7690 -51.7690 -24.7660 -24.7660 -24.7512 -24.7512 -16.3431 -16.3431 -16.3380 -16.3380 -16.0417 -16.0417 -15.9711 -15.9711 4.7390 4.7390 5.0825 5.0825 9.4984 9.4984 10.2279 10.2279 11.3681 11.3681 11.6817 11.6817 12.0018 12.0018 13.3913 13.3913 14.7482 14.7482 15.4015 15.4015 17.3735 17.3735 18.2126 18.2126 18.7806 18.7806 19.0281 19.0281 k =-0.1467 0.3547 1.0366 ( 2088 PWs) bands (ev): -51.7734 -51.7734 -51.7691 -51.7691 -24.7652 -24.7652 -24.7499 -24.7499 -16.3404 -16.3404 -16.3352 -16.3352 -16.0415 -16.0415 -15.9678 -15.9678 4.7617 4.7617 5.1205 5.1205 9.3999 9.3999 10.1506 10.1506 11.3115 11.3115 11.6456 11.6456 11.9694 11.9694 13.3657 13.3657 14.7891 14.7891 15.4723 15.4723 17.4736 17.4736 18.2001 18.2001 18.8313 18.8313 19.0123 19.0123 k =-0.1519 0.3673 1.0230 ( 2092 PWs) bands (ev): -51.7737 -51.7737 -51.7693 -51.7693 -24.7646 -24.7646 -24.7486 -24.7486 -16.3379 -16.3379 -16.3325 -16.3325 -16.0412 -16.0412 -15.9646 -15.9646 4.7846 4.7846 5.1583 5.1583 9.3035 9.3035 10.0750 10.0750 11.2562 11.2562 11.6102 11.6102 11.9391 11.9391 13.3379 13.3379 14.8300 14.8300 15.5433 15.5433 17.5787 17.5787 18.1894 18.1894 18.8658 18.8658 18.9947 18.9947 k =-0.1571 0.3798 1.0094 ( 2090 PWs) bands (ev): -51.7740 -51.7740 -51.7694 -51.7694 -24.7638 -24.7638 -24.7473 -24.7473 -16.3354 -16.3354 -16.3298 -16.3298 -16.0408 -16.0408 -15.9613 -15.9613 4.8078 4.8078 5.1958 5.1958 9.2097 9.2097 10.0015 10.0015 11.2023 11.2023 11.5754 11.5754 11.9106 11.9106 13.3083 13.3083 14.8708 14.8708 15.6146 15.6146 17.6875 17.6875 18.1817 18.1817 18.8844 18.8844 18.9761 18.9761 k =-0.1622 0.3924 0.9958 ( 2092 PWs) bands (ev): -51.7744 -51.7744 -51.7696 -51.7696 -24.7631 -24.7631 -24.7461 -24.7461 -16.3330 -16.3330 -16.3273 -16.3273 -16.0402 -16.0402 -15.9580 -15.9580 4.8310 4.8310 5.2328 5.2328 9.1187 9.1187 9.9303 9.9303 11.1503 11.1503 11.5414 11.5414 11.8836 11.8836 13.2770 13.2770 14.9112 14.9112 15.6862 15.6862 17.7980 17.7980 18.1785 18.1785 18.8901 18.8901 18.9569 18.9569 k =-0.1674 0.4050 0.9822 ( 2089 PWs) bands (ev): -51.7747 -51.7747 -51.7697 -51.7697 -24.7623 -24.7623 -24.7449 -24.7449 -16.3308 -16.3308 -16.3249 -16.3249 -16.0394 -16.0394 -15.9547 -15.9547 4.8542 4.8542 5.2692 5.2692 9.0305 9.0305 9.8617 9.8617 11.1003 11.1003 11.5083 11.5083 11.8582 11.8582 13.2445 13.2445 14.9510 14.9510 15.7583 15.7583 17.9064 17.9064 18.1832 18.1832 18.8867 18.8867 18.9375 18.9375 k =-0.1726 0.4176 0.9686 ( 2085 PWs) bands (ev): -51.7750 -51.7750 -51.7699 -51.7699 -24.7615 -24.7615 -24.7436 -24.7436 -16.3285 -16.3285 -16.3226 -16.3226 -16.0386 -16.0386 -15.9513 -15.9513 4.8772 4.8772 5.3048 5.3048 8.9454 8.9454 9.7962 9.7962 11.0524 11.0524 11.4761 11.4761 11.8341 11.8341 13.2111 13.2111 14.9900 14.9900 15.8308 15.8308 18.0038 18.0038 18.2040 18.2040 18.8772 18.8772 18.9187 18.9187 k =-0.1778 0.4301 0.9550 ( 2089 PWs) bands (ev): -51.7753 -51.7753 -51.7701 -51.7701 -24.7609 -24.7609 -24.7425 -24.7425 -16.3265 -16.3265 -16.3205 -16.3205 -16.0377 -16.0377 -15.9481 -15.9481 4.8999 4.8999 5.3394 5.3394 8.8637 8.8637 9.7338 9.7338 11.0068 11.0068 11.4449 11.4449 11.8113 11.8113 13.1769 13.1769 15.0279 15.0279 15.9037 15.9037 18.0722 18.0722 18.2581 18.2581 18.8635 18.8635 18.9007 18.9007 k =-0.1830 0.4427 0.9414 ( 2083 PWs) bands (ev): -51.7756 -51.7756 -51.7702 -51.7702 -24.7601 -24.7601 -24.7413 -24.7413 -16.3245 -16.3245 -16.3184 -16.3184 -16.0366 -16.0366 -15.9448 -15.9448 4.9223 4.9223 5.3729 5.3729 8.7855 8.7855 9.6748 9.6748 10.9635 10.9635 11.4148 11.4148 11.7898 11.7898 13.1425 13.1425 15.0646 15.0646 15.9769 15.9769 18.1078 18.1078 18.3480 18.3480 18.8473 18.8473 18.8844 18.8844 k =-0.1882 0.4553 0.9278 ( 2083 PWs) bands (ev): -51.7759 -51.7759 -51.7704 -51.7704 -24.7594 -24.7594 -24.7402 -24.7402 -16.3227 -16.3227 -16.3166 -16.3166 -16.0355 -16.0355 -15.9416 -15.9416 4.9440 4.9440 5.4051 5.4051 8.7108 8.7108 9.6194 9.6194 10.9227 10.9227 11.3857 11.3857 11.7695 11.7695 13.1080 13.1080 15.0999 15.0999 16.0502 16.0502 18.1287 18.1287 18.4536 18.4536 18.8299 18.8299 18.8709 18.8709 k =-0.1934 0.4678 0.9142 ( 2085 PWs) bands (ev): -51.7762 -51.7762 -51.7705 -51.7705 -24.7588 -24.7588 -24.7391 -24.7391 -16.3210 -16.3210 -16.3149 -16.3149 -16.0344 -16.0344 -15.9385 -15.9385 4.9652 4.9652 5.4358 5.4358 8.6400 8.6400 9.5676 9.5676 10.8843 10.8843 11.3578 11.3578 11.7504 11.7504 13.0738 13.0738 15.1335 15.1335 16.1234 16.1234 18.1464 18.1464 18.5593 18.5593 18.8121 18.8121 18.8634 18.8634 k =-0.1986 0.4804 0.9006 ( 2087 PWs) bands (ev): -51.7764 -51.7764 -51.7707 -51.7707 -24.7582 -24.7582 -24.7382 -24.7382 -16.3194 -16.3194 -16.3133 -16.3133 -16.0332 -16.0332 -15.9355 -15.9355 4.9855 4.9855 5.4651 5.4651 8.5731 8.5731 9.5195 9.5195 10.8483 10.8483 11.3312 11.3312 11.7325 11.7325 13.0401 13.0401 15.1653 15.1653 16.1961 16.1961 18.1649 18.1649 18.6504 18.6504 18.7950 18.7950 18.8708 18.8708 k =-0.2038 0.4930 0.8870 ( 2090 PWs) bands (ev): -51.7767 -51.7767 -51.7708 -51.7708 -24.7576 -24.7576 -24.7372 -24.7372 -16.3179 -16.3179 -16.3119 -16.3119 -16.0320 -16.0320 -15.9327 -15.9327 5.0050 5.0050 5.4927 5.4927 8.5103 8.5103 9.4752 9.4752 10.8149 10.8149 11.3058 11.3058 11.7157 11.7157 13.0074 13.0074 15.1951 15.1951 16.2681 16.2681 18.1856 18.1856 18.7048 18.7048 18.7795 18.7795 18.9114 18.9114 k =-0.2090 0.5055 0.8734 ( 2090 PWs) bands (ev): -51.7769 -51.7769 -51.7710 -51.7710 -24.7571 -24.7571 -24.7363 -24.7363 -16.3166 -16.3166 -16.3106 -16.3106 -16.0307 -16.0307 -15.9299 -15.9299 5.0235 5.0235 5.5185 5.5185 8.4517 8.4517 9.4347 9.4347 10.7840 10.7840 11.2818 11.2818 11.7002 11.7002 12.9757 12.9757 15.2228 15.2228 16.3389 16.3389 18.2090 18.2090 18.7181 18.7181 18.7663 18.7663 18.9853 18.9853 k =-0.2142 0.5181 0.8598 ( 2094 PWs) bands (ev): -51.7771 -51.7771 -51.7711 -51.7711 -24.7566 -24.7566 -24.7355 -24.7355 -16.3154 -16.3154 -16.3095 -16.3095 -16.0296 -16.0296 -15.9273 -15.9273 5.0410 5.0410 5.5424 5.5424 8.3974 8.3974 9.3980 9.3980 10.7557 10.7557 11.2593 11.2593 11.6858 11.6858 12.9455 12.9455 15.2483 15.2483 16.4080 16.4080 18.2352 18.2352 18.7117 18.7117 18.7549 18.7549 19.0637 19.0637 k =-0.2194 0.5307 0.8462 ( 2100 PWs) bands (ev): -51.7773 -51.7773 -51.7713 -51.7713 -24.7563 -24.7563 -24.7347 -24.7347 -16.3142 -16.3142 -16.3085 -16.3085 -16.0285 -16.0285 -15.9248 -15.9248 5.0572 5.0572 5.5644 5.5644 8.3475 8.3475 9.3650 9.3650 10.7298 10.7298 11.2384 11.2384 11.6727 11.6727 12.9170 12.9170 15.2716 15.2716 16.4748 16.4748 18.2638 18.2638 18.6989 18.6989 18.7447 18.7447 19.1175 19.1175 k =-0.2246 0.5432 0.8326 ( 2098 PWs) bands (ev): -51.7775 -51.7775 -51.7714 -51.7714 -24.7558 -24.7558 -24.7340 -24.7340 -16.3132 -16.3132 -16.3076 -16.3076 -16.0273 -16.0273 -15.9225 -15.9225 5.0722 5.0722 5.5845 5.5845 8.3020 8.3020 9.3356 9.3356 10.7065 10.7065 11.2190 11.2190 11.6608 11.6608 12.8903 12.8903 15.2926 15.2926 16.5389 16.5389 18.2945 18.2945 18.6844 18.6844 18.7359 18.7359 19.1326 19.1326 k =-0.2298 0.5558 0.8190 ( 2098 PWs) bands (ev): -51.7777 -51.7777 -51.7715 -51.7715 -24.7554 -24.7554 -24.7334 -24.7334 -16.3124 -16.3124 -16.3068 -16.3068 -16.0263 -16.0263 -15.9204 -15.9204 5.0859 5.0859 5.6025 5.6025 8.2612 8.2612 9.3098 9.3098 10.6856 10.6856 11.2014 11.2014 11.6501 11.6501 12.8658 12.8658 15.3113 15.3113 16.5994 16.5994 18.3263 18.3263 18.6695 18.6695 18.7287 18.7287 19.1244 19.1244 k =-0.2350 0.5684 0.8054 ( 2101 PWs) bands (ev): -51.7778 -51.7778 -51.7716 -51.7716 -24.7551 -24.7551 -24.7328 -24.7328 -16.3116 -16.3116 -16.3061 -16.3061 -16.0253 -16.0253 -15.9185 -15.9185 5.0981 5.0981 5.6184 5.6184 8.2249 8.2249 9.2874 9.2874 10.6673 10.6673 11.1856 11.1856 11.6406 11.6406 12.8437 12.8437 15.3277 15.3277 16.6556 16.6556 18.3585 18.3585 18.6551 18.6551 18.7235 18.7235 19.1086 19.1086 k =-0.2402 0.5809 0.7918 ( 2099 PWs) bands (ev): -51.7780 -51.7780 -51.7716 -51.7716 -24.7547 -24.7547 -24.7323 -24.7323 -16.3109 -16.3109 -16.3055 -16.3055 -16.0244 -16.0244 -15.9169 -15.9169 5.1089 5.1089 5.6322 5.6322 8.1934 8.1934 9.2684 9.2684 10.6514 10.6514 11.1717 11.1717 11.6324 11.6324 12.8241 12.8241 15.3417 15.3417 16.7068 16.7068 18.3898 18.3898 18.6414 18.6414 18.7207 18.7207 19.0917 19.0917 k =-0.2454 0.5935 0.7782 ( 2097 PWs) bands (ev): -51.7781 -51.7781 -51.7717 -51.7717 -24.7544 -24.7544 -24.7319 -24.7319 -16.3104 -16.3104 -16.3050 -16.3050 -16.0235 -16.0235 -15.9154 -15.9154 5.1180 5.1180 5.6439 5.6439 8.1667 8.1667 9.2526 9.2526 10.6380 10.6380 11.1598 11.1598 11.6254 11.6254 12.8073 12.8073 15.3535 15.3535 16.7520 16.7520 18.4189 18.4189 18.6288 18.6288 18.7201 18.7201 19.0769 19.0769 k =-0.2506 0.6061 0.7646 ( 2101 PWs) bands (ev): -51.7782 -51.7782 -51.7718 -51.7718 -24.7542 -24.7542 -24.7316 -24.7316 -16.3099 -16.3099 -16.3046 -16.3046 -16.0229 -16.0229 -15.9143 -15.9143 5.1256 5.1256 5.6534 5.6534 8.1447 8.1447 9.2398 9.2398 10.6271 10.6271 11.1499 11.1499 11.6197 11.6197 12.7933 12.7933 15.3631 15.3631 16.7905 16.7905 18.4445 18.4445 18.6173 18.6173 18.7216 18.7216 19.0656 19.0656 k =-0.2558 0.6186 0.7510 ( 2101 PWs) bands (ev): -51.7782 -51.7782 -51.7718 -51.7718 -24.7541 -24.7541 -24.7313 -24.7313 -16.3096 -16.3096 -16.3044 -16.3044 -16.0224 -16.0224 -15.9133 -15.9133 5.1316 5.1316 5.6608 5.6608 8.1276 8.1276 9.2300 9.2300 10.6186 10.6186 11.1421 11.1421 11.6153 11.6153 12.7823 12.7823 15.3705 15.3705 16.8214 16.8214 18.4656 18.4656 18.6074 18.6074 18.7244 18.7244 19.0582 19.0582 k =-0.2610 0.6312 0.7374 ( 2103 PWs) bands (ev): -51.7783 -51.7783 -51.7718 -51.7718 -24.7540 -24.7540 -24.7311 -24.7311 -16.3094 -16.3094 -16.3042 -16.3042 -16.0220 -16.0220 -15.9127 -15.9127 5.1358 5.1358 5.6662 5.6662 8.1154 8.1154 9.2230 9.2230 10.6125 10.6125 11.1365 11.1365 11.6121 11.6121 12.7744 12.7744 15.3757 15.3757 16.8441 16.8441 18.4814 18.4814 18.5994 18.5994 18.7275 18.7275 19.0546 19.0546 k =-0.2662 0.6438 0.7238 ( 2107 PWs) bands (ev): -51.7783 -51.7783 -51.7719 -51.7719 -24.7540 -24.7540 -24.7310 -24.7310 -16.3092 -16.3092 -16.3041 -16.3041 -16.0219 -16.0219 -15.9123 -15.9123 5.1384 5.1384 5.6693 5.6693 8.1080 8.1080 9.2189 9.2189 10.6088 10.6088 11.1331 11.1331 11.6102 11.6102 12.7696 12.7696 15.3788 15.3788 16.8579 16.8579 18.4913 18.4913 18.5941 18.5941 18.7298 18.7298 19.0534 19.0534 k =-0.2714 0.6563 0.7102 ( 2109 PWs) bands (ev): -51.7784 -51.7784 -51.7719 -51.7719 -24.7539 -24.7539 -24.7310 -24.7310 -16.3092 -16.3092 -16.3040 -16.3040 -16.0218 -16.0218 -15.9122 -15.9122 5.1393 5.1393 5.6704 5.6704 8.1056 8.1056 9.2176 9.2176 10.6076 10.6076 11.1319 11.1319 11.6096 11.6096 12.7680 12.7680 15.3799 15.3799 16.8625 16.8625 18.4946 18.4946 18.5922 18.5922 18.7307 18.7307 19.0532 19.0532 k =-0.2714 0.6563 0.7102 ( 2109 PWs) bands (ev): -51.7784 -51.7784 -51.7719 -51.7719 -24.7539 -24.7539 -24.7310 -24.7310 -16.3092 -16.3092 -16.3040 -16.3040 -16.0218 -16.0218 -15.9122 -15.9122 5.1393 5.1393 5.6704 5.6704 8.1056 8.1056 9.2176 9.2176 10.6076 10.6076 11.1319 11.1319 11.6096 11.6096 12.7680 12.7680 15.3799 15.3799 16.8625 16.8625 18.4946 18.4946 18.5922 18.5922 18.7307 18.7307 19.0532 19.0532 k =-0.2662 0.6437 0.6966 ( 2107 PWs) bands (ev): -51.7784 -51.7784 -51.7717 -51.7717 -24.7546 -24.7546 -24.7309 -24.7309 -16.3104 -16.3104 -16.3058 -16.3058 -16.0232 -16.0232 -15.9103 -15.9103 5.1440 5.1440 5.7501 5.7501 8.0810 8.0810 9.1278 9.1278 10.5876 10.5876 11.1187 11.1187 11.5933 11.5933 12.8146 12.8146 15.3543 15.3543 16.8970 16.8970 18.5704 18.5704 18.6452 18.6452 18.7737 18.7737 19.0772 19.0772 k =-0.2609 0.6311 0.6829 ( 2107 PWs) bands (ev): -51.7785 -51.7785 -51.7715 -51.7715 -24.7553 -24.7553 -24.7306 -24.7306 -16.3113 -16.3113 -16.3072 -16.3072 -16.0246 -16.0246 -15.9085 -15.9085 5.1369 5.1369 5.8241 5.8241 8.0707 8.0707 9.0464 9.0464 10.5695 10.5695 11.1094 11.1094 11.5810 11.5810 12.8628 12.8628 15.3270 15.3270 16.9300 16.9300 18.6254 18.6254 18.6344 18.6344 18.8396 18.8396 19.1197 19.1197 k =-0.2557 0.6185 0.6692 ( 2105 PWs) bands (ev): -51.7786 -51.7786 -51.7714 -51.7714 -24.7559 -24.7559 -24.7302 -24.7302 -16.3118 -16.3118 -16.3080 -16.3080 -16.0261 -16.0261 -15.9067 -15.9067 5.1179 5.1179 5.8912 5.8912 8.0747 8.0747 8.9746 8.9746 10.5534 10.5534 11.1040 11.1040 11.5726 11.5726 12.9127 12.9127 15.2981 15.2981 16.9612 16.9612 18.6072 18.6072 18.6596 18.6596 18.8630 18.8630 19.1896 19.1896 k =-0.2505 0.6058 0.6556 ( 2105 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7564 -24.7564 -24.7298 -24.7298 -16.3122 -16.3122 -16.3083 -16.3083 -16.0277 -16.0277 -15.9049 -15.9049 5.0873 5.0873 5.9502 5.9502 8.0926 8.0926 8.9137 8.9137 10.5394 10.5394 11.1025 11.1025 11.5681 11.5681 12.9643 12.9643 15.2677 15.2677 16.9907 16.9907 18.5755 18.5755 18.6684 18.6684 18.8418 18.8418 19.2726 19.2726 k =-0.2453 0.5932 0.6419 ( 2105 PWs) bands (ev): -51.7789 -51.7789 -51.7711 -51.7711 -24.7568 -24.7568 -24.7293 -24.7293 -16.3123 -16.3123 -16.3079 -16.3079 -16.0293 -16.0293 -15.9032 -15.9032 5.0459 5.0459 5.9996 5.9996 8.1236 8.1236 8.8651 8.8651 10.5276 10.5276 11.1049 11.1049 11.5676 11.5676 13.0176 13.0176 15.2360 15.2360 17.0181 17.0181 18.5398 18.5398 18.6524 18.6524 18.7876 18.7876 19.3420 19.3420 k =-0.2401 0.5806 0.6283 ( 2105 PWs) bands (ev): -51.7790 -51.7790 -51.7710 -51.7710 -24.7572 -24.7572 -24.7287 -24.7287 -16.3121 -16.3121 -16.3070 -16.3070 -16.0310 -16.0310 -15.9015 -15.9015 4.9946 4.9946 6.0384 6.0384 8.1666 8.1666 8.8300 8.8300 10.5180 10.5180 11.1112 11.1112 11.5710 11.5710 13.0725 13.0725 15.2030 15.2030 17.0436 17.0436 18.4997 18.4997 18.6133 18.6133 18.7078 18.7078 19.3427 19.3427 k =-0.2348 0.5680 0.6146 ( 2101 PWs) bands (ev): -51.7792 -51.7792 -51.7709 -51.7709 -24.7574 -24.7574 -24.7280 -24.7280 -16.3115 -16.3115 -16.3056 -16.3056 -16.0327 -16.0327 -15.8999 -15.8999 4.9344 4.9344 6.0656 6.0656 8.2204 8.2204 8.8093 8.8093 10.5107 10.5107 11.1215 11.1215 11.5783 11.5783 13.1293 13.1293 15.1689 15.1689 17.0669 17.0669 18.4525 18.4525 18.5563 18.5563 18.6074 18.6074 19.3010 19.3010 k =-0.2296 0.5554 0.6010 ( 2099 PWs) bands (ev): -51.7794 -51.7794 -51.7708 -51.7708 -24.7576 -24.7576 -24.7272 -24.7272 -16.3105 -16.3105 -16.3037 -16.3037 -16.0345 -16.0345 -15.8983 -15.8983 4.8666 4.8666 6.0804 6.0804 8.2837 8.2837 8.8037 8.8037 10.5058 10.5058 11.1357 11.1357 11.5896 11.5896 13.1877 13.1877 15.1339 15.1339 17.0880 17.0880 18.3913 18.3913 18.4820 18.4820 18.5003 18.5003 19.2505 19.2505 k =-0.2244 0.5427 0.5873 ( 2099 PWs) bands (ev): -51.7795 -51.7795 -51.7708 -51.7708 -24.7577 -24.7577 -24.7263 -24.7263 -16.3093 -16.3093 -16.3013 -16.3013 -16.0363 -16.0363 -15.8967 -15.8967 4.7923 4.7923 6.0826 6.0826 8.3552 8.3552 8.8137 8.8137 10.5035 10.5035 11.1537 11.1537 11.6048 11.6048 13.2479 13.2479 15.0980 15.0980 17.1068 17.1068 18.3071 18.3071 18.3563 18.3563 18.4371 18.4371 19.1948 19.1948 k =-0.2192 0.5301 0.5736 ( 2105 PWs) bands (ev): -51.7798 -51.7798 -51.7708 -51.7708 -24.7579 -24.7579 -24.7254 -24.7254 -16.3077 -16.3077 -16.2986 -16.2986 -16.0383 -16.0383 -15.8952 -15.8952 4.7126 4.7126 6.0723 6.0723 8.4335 8.4335 8.8389 8.8389 10.5038 10.5038 11.1757 11.1757 11.6239 11.6239 13.3099 13.3099 15.0615 15.0615 17.1233 17.1233 18.1997 18.1997 18.2178 18.2178 18.3864 18.3864 19.1355 19.1355 k =-0.2140 0.5175 0.5600 ( 2099 PWs) bands (ev): -51.7800 -51.7800 -51.7707 -51.7707 -24.7577 -24.7577 -24.7244 -24.7244 -16.3055 -16.3055 -16.2954 -16.2954 -16.0403 -16.0403 -15.8938 -15.8938 4.6284 4.6284 6.0502 6.0502 8.5175 8.5175 8.8789 8.8789 10.5071 10.5071 11.2015 11.2015 11.6469 11.6469 13.3737 13.3737 15.0244 15.0244 17.1374 17.1374 18.0642 18.0642 18.0859 18.0859 18.3398 18.3398 19.0739 19.0739 k =-0.2087 0.5049 0.5463 ( 2103 PWs) bands (ev): -51.7802 -51.7802 -51.7707 -51.7707 -24.7577 -24.7577 -24.7233 -24.7233 -16.3032 -16.3032 -16.2919 -16.2919 -16.0423 -16.0423 -15.8924 -15.8924 4.5408 4.5408 6.0173 6.0173 8.6057 8.6057 8.9326 8.9326 10.5134 10.5134 11.2313 11.2313 11.6737 11.6737 13.4392 13.4392 14.9869 14.9869 17.1490 17.1490 17.9128 17.9128 17.9559 17.9559 18.2948 18.2948 19.0110 19.0110 k =-0.2035 0.4923 0.5327 ( 2103 PWs) bands (ev): -51.7805 -51.7805 -51.7708 -51.7708 -24.7575 -24.7575 -24.7221 -24.7221 -16.3004 -16.3004 -16.2880 -16.2880 -16.0444 -16.0444 -15.8910 -15.8910 4.4504 4.4504 5.9746 5.9746 8.6972 8.6972 8.9989 8.9989 10.5232 10.5232 11.2649 11.2649 11.7045 11.7045 13.5065 13.5065 14.9492 14.9492 17.1580 17.1580 17.7580 17.7580 17.8208 17.8208 18.2504 18.2504 18.9475 18.9475 k =-0.1983 0.4796 0.5190 ( 2107 PWs) bands (ev): -51.7808 -51.7808 -51.7708 -51.7708 -24.7573 -24.7573 -24.7210 -24.7210 -16.2973 -16.2973 -16.2838 -16.2838 -16.0465 -16.0465 -15.8896 -15.8896 4.3581 4.3581 5.9236 5.9236 8.7908 8.7908 9.0764 9.0764 10.5366 10.5366 11.3024 11.3024 11.7391 11.7391 13.5755 13.5755 14.9113 14.9113 17.1642 17.1642 17.6021 17.6021 17.6822 17.6822 18.2060 18.2060 18.8841 18.8841 k =-0.1931 0.4670 0.5053 ( 2095 PWs) bands (ev): -51.7811 -51.7811 -51.7708 -51.7708 -24.7568 -24.7568 -24.7196 -24.7196 -16.2936 -16.2936 -16.2792 -16.2792 -16.0485 -16.0485 -15.8883 -15.8883 4.2643 4.2643 5.8655 5.8655 8.8853 8.8853 9.1638 9.1638 10.5541 10.5541 11.3437 11.3437 11.7775 11.7775 13.6463 13.6463 14.8734 14.8734 17.1667 17.1667 17.4476 17.4476 17.5415 17.5415 18.1617 18.1617 18.8214 18.8214 k =-0.1879 0.4544 0.4917 ( 2091 PWs) bands (ev): -51.7814 -51.7814 -51.7708 -51.7708 -24.7563 -24.7563 -24.7183 -24.7183 -16.2897 -16.2897 -16.2743 -16.2743 -16.0507 -16.0507 -15.8870 -15.8870 4.1697 4.1697 5.8016 5.8016 8.9797 8.9797 9.2599 9.2599 10.5761 10.5761 11.3889 11.3889 11.8198 11.8198 13.7187 13.7187 14.8357 14.8357 17.1607 17.1607 17.3002 17.3002 17.4002 17.4002 18.1173 18.1173 18.7597 18.7597 k =-0.1827 0.4418 0.4780 ( 2087 PWs) bands (ev): -51.7816 -51.7816 -51.7709 -51.7709 -24.7559 -24.7559 -24.7168 -24.7168 -16.2855 -16.2855 -16.2691 -16.2691 -16.0529 -16.0529 -15.8856 -15.8856 4.0746 4.0746 5.7330 5.7330 9.0730 9.0730 9.3633 9.3633 10.6030 10.6030 11.4379 11.4379 11.8659 11.8659 13.7927 13.7927 14.7982 14.7982 17.1028 17.1028 17.2038 17.2038 17.2598 17.2598 18.0728 18.0728 18.6992 18.6992 k =-0.1774 0.4291 0.4644 ( 2087 PWs) bands (ev): -51.7820 -51.7820 -51.7710 -51.7710 -24.7554 -24.7554 -24.7153 -24.7153 -16.2811 -16.2811 -16.2637 -16.2637 -16.0552 -16.0552 -15.8844 -15.8844 3.9796 3.9796 5.6607 5.6607 9.1641 9.1641 9.4730 9.4730 10.6354 10.6354 11.4907 11.4907 11.9157 11.9157 13.8682 13.8682 14.7612 14.7612 16.9680 16.9680 17.1177 17.1177 17.1875 17.1875 18.0283 18.0283 18.6403 18.6403 k =-0.1722 0.4165 0.4507 ( 2087 PWs) bands (ev): -51.7823 -51.7823 -51.7711 -51.7711 -24.7549 -24.7549 -24.7138 -24.7138 -16.2763 -16.2763 -16.2580 -16.2580 -16.0574 -16.0574 -15.8831 -15.8831 3.8849 3.8849 5.5857 5.5857 9.2520 9.2520 9.5880 9.5880 10.6737 10.6737 11.5473 11.5473 11.9692 11.9692 13.9451 13.9451 14.7248 14.7248 16.8231 16.8231 16.9802 16.9802 17.1798 17.1798 17.9839 17.9839 18.5831 18.5831 k =-0.1670 0.4039 0.4371 ( 2087 PWs) bands (ev): -51.7826 -51.7826 -51.7712 -51.7712 -24.7542 -24.7542 -24.7123 -24.7123 -16.2713 -16.2713 -16.2522 -16.2522 -16.0597 -16.0597 -15.8819 -15.8819 3.7908 3.7908 5.5087 5.5087 9.3358 9.3358 9.7073 9.7073 10.7185 10.7185 11.6076 11.6076 12.0265 12.0265 14.0232 14.0232 14.6893 14.6893 16.6796 16.6796 16.8447 16.8447 17.1728 17.1728 17.9397 17.9397 18.5278 18.5278 k =-0.1618 0.3913 0.4234 ( 2095 PWs) bands (ev): -51.7830 -51.7830 -51.7714 -51.7714 -24.7536 -24.7536 -24.7108 -24.7108 -16.2661 -16.2661 -16.2462 -16.2462 -16.0620 -16.0620 -15.8809 -15.8809 3.6977 3.6977 5.4304 5.4304 9.4146 9.4146 9.8303 9.8303 10.7700 10.7700 11.6717 11.6717 12.0876 12.0876 14.1021 14.1021 14.6550 14.6550 16.5395 16.5395 16.7122 16.7122 17.1649 17.1649 17.8956 17.8956 18.4744 18.4744 k =-0.1566 0.3787 0.4097 ( 2095 PWs) bands (ev): -51.7834 -51.7834 -51.7715 -51.7715 -24.7529 -24.7529 -24.7092 -24.7092 -16.2606 -16.2606 -16.2400 -16.2400 -16.0643 -16.0643 -15.8797 -15.8797 3.6058 3.6058 5.3514 5.3514 9.4878 9.4878 9.9561 9.9561 10.8285 10.8285 11.7395 11.7395 12.1522 12.1522 14.1812 14.1812 14.6224 14.6224 16.4038 16.4038 16.5832 16.5832 17.1556 17.1556 17.8517 17.8517 18.4231 18.4231 k =-0.1513 0.3660 0.3961 ( 2099 PWs) bands (ev): -51.7837 -51.7837 -51.7717 -51.7717 -24.7522 -24.7522 -24.7076 -24.7076 -16.2550 -16.2550 -16.2337 -16.2337 -16.0665 -16.0665 -15.8785 -15.8785 3.5153 3.5153 5.2721 5.2721 9.5551 9.5551 10.0841 10.0841 10.8940 10.8940 11.8110 11.8110 12.2205 12.2205 14.2592 14.2592 14.5929 14.5929 16.2731 16.2731 16.4581 16.4581 17.1448 17.1448 17.8082 17.8082 18.3740 18.3740 k =-0.1461 0.3534 0.3824 ( 2107 PWs) bands (ev): -51.7841 -51.7841 -51.7719 -51.7719 -24.7515 -24.7515 -24.7060 -24.7060 -16.2493 -16.2493 -16.2273 -16.2273 -16.0688 -16.0688 -15.8773 -15.8773 3.4264 3.4264 5.1931 5.1931 9.6160 9.6160 10.2138 10.2138 10.9662 10.9662 11.8861 11.8861 12.2924 12.2924 14.3327 14.3327 14.5695 14.5695 16.1480 16.1480 16.3375 16.3375 17.1325 17.1325 17.7650 17.7650 18.3271 18.3271 k =-0.1409 0.3408 0.3688 ( 2107 PWs) bands (ev): -51.7845 -51.7845 -51.7720 -51.7720 -24.7507 -24.7507 -24.7043 -24.7043 -16.2433 -16.2433 -16.2208 -16.2208 -16.0711 -16.0711 -15.8761 -15.8761 3.3393 3.3393 5.1147 5.1147 9.6709 9.6709 10.3446 10.3446 11.0446 11.0446 11.9649 11.9649 12.3678 12.3678 14.3921 14.3921 14.5617 14.5617 16.0292 16.0292 16.2216 16.2216 17.1188 17.1188 17.7222 17.7222 18.2825 18.2825 k =-0.1357 0.3282 0.3551 ( 2103 PWs) bands (ev): -51.7848 -51.7848 -51.7722 -51.7722 -24.7499 -24.7499 -24.7026 -24.7026 -16.2372 -16.2372 -16.2143 -16.2143 -16.0733 -16.0733 -15.8748 -15.8748 3.2541 3.2541 5.0372 5.0372 9.7198 9.7198 10.4759 10.4759 11.1284 11.1284 12.0472 12.0472 12.4467 12.4467 14.4180 14.4180 14.5884 14.5884 15.9172 15.9172 16.1108 16.1108 17.1037 17.1037 17.6798 17.6798 18.2401 18.2401 k =-0.1305 0.3155 0.3415 ( 2103 PWs) bands (ev): -51.7852 -51.7852 -51.7723 -51.7723 -24.7490 -24.7490 -24.7009 -24.7009 -16.2310 -16.2310 -16.2077 -16.2077 -16.0755 -16.0755 -15.8736 -15.8736 3.1711 3.1711 4.9609 4.9609 9.7633 9.7633 10.6072 10.6072 11.2167 11.2167 12.1331 12.1331 12.5291 12.5291 14.4116 14.4116 14.6478 14.6478 15.8132 15.8132 16.0055 16.0055 17.0872 17.0872 17.6377 17.6377 18.2001 18.2001 k =-0.1252 0.3029 0.3278 ( 2103 PWs) bands (ev): -51.7855 -51.7855 -51.7725 -51.7725 -24.7481 -24.7481 -24.6993 -24.6993 -16.2247 -16.2247 -16.2012 -16.2012 -16.0777 -16.0777 -15.8724 -15.8724 3.0902 3.0902 4.8861 4.8861 9.8018 9.8018 10.7380 10.7380 11.3085 11.3085 12.2224 12.2224 12.6149 12.6149 14.3923 14.3923 14.7191 14.7191 15.7183 15.7183 15.9062 15.9062 17.0694 17.0694 17.5961 17.5961 18.1623 18.1623 k =-0.1200 0.2903 0.3141 ( 2111 PWs) bands (ev): -51.7859 -51.7859 -51.7727 -51.7727 -24.7474 -24.7474 -24.6977 -24.6977 -16.2185 -16.2185 -16.1948 -16.1948 -16.0799 -16.0799 -15.8712 -15.8712 3.0118 3.0118 4.8130 4.8130 9.8359 9.8359 10.8676 10.8676 11.4026 11.4026 12.3152 12.3152 12.7039 12.7039 14.3695 14.3695 14.7913 14.7913 15.6345 15.6345 15.8135 15.8135 17.0502 17.0502 17.5547 17.5547 18.1269 18.1269 k =-0.1148 0.2777 0.3005 ( 2115 PWs) bands (ev): -51.7863 -51.7863 -51.7729 -51.7729 -24.7465 -24.7465 -24.6961 -24.6961 -16.2122 -16.2122 -16.1885 -16.1885 -16.0820 -16.0820 -15.8699 -15.8699 2.9359 2.9359 4.7418 4.7418 9.8661 9.8661 10.9956 10.9956 11.4980 11.4980 12.4114 12.4114 12.7962 12.7962 14.3460 14.3460 14.8582 14.8582 15.5644 15.5644 15.7284 15.7284 17.0298 17.0298 17.5137 17.5137 18.0938 18.0938 k =-0.1096 0.2651 0.2868 ( 2115 PWs) bands (ev): -51.7867 -51.7867 -51.7731 -51.7731 -24.7456 -24.7456 -24.6946 -24.6946 -16.2059 -16.2059 -16.1823 -16.1823 -16.0839 -16.0839 -15.8687 -15.8687 2.8625 2.8625 4.6727 4.6727 9.8930 9.8930 11.1214 11.1214 11.5937 11.5937 12.5110 12.5110 12.8917 12.8917 14.3232 14.3232 14.9136 14.9136 15.5108 15.5108 15.6536 15.6536 17.0079 17.0079 17.4728 17.4728 18.0630 18.0630 k =-0.1044 0.2524 0.2732 ( 2117 PWs) bands (ev): -51.7870 -51.7870 -51.7733 -51.7733 -24.7447 -24.7447 -24.6930 -24.6930 -16.1996 -16.1996 -16.1762 -16.1762 -16.0859 -16.0859 -15.8674 -15.8674 2.7919 2.7919 4.6058 4.6058 9.9169 9.9169 11.2444 11.2444 11.6885 11.6885 12.6138 12.6138 12.9903 12.9903 14.3017 14.3017 14.9510 14.9510 15.4728 15.4728 15.5966 15.5966 16.9845 16.9845 17.4319 17.4319 18.0344 18.0344 k =-0.0992 0.2398 0.2595 ( 2117 PWs) bands (ev): -51.7873 -51.7873 -51.7734 -51.7734 -24.7438 -24.7438 -24.6915 -24.6915 -16.1935 -16.1935 -16.1703 -16.1703 -16.0878 -16.0878 -15.8661 -15.8661 2.7241 2.7241 4.5414 4.5414 9.9383 9.9383 11.3640 11.3640 11.7815 11.7815 12.7198 12.7198 13.0919 13.0919 14.2819 14.2819 14.9660 14.9660 15.4368 15.4368 15.5752 15.5752 16.9594 16.9594 17.3909 17.3909 18.0079 18.0079 k =-0.0939 0.2272 0.2458 ( 2117 PWs) bands (ev): -51.7877 -51.7877 -51.7736 -51.7736 -24.7430 -24.7430 -24.6900 -24.6900 -16.1874 -16.1874 -16.1645 -16.1645 -16.0896 -16.0896 -15.8648 -15.8648 2.6592 2.6592 4.4795 4.4795 9.9574 9.9574 11.4794 11.4794 11.8718 11.8718 12.8289 12.8289 13.1962 13.1962 14.2640 14.2640 14.9612 14.9612 15.3911 15.3911 15.5990 15.5990 16.9325 16.9325 17.3494 17.3494 17.9836 17.9836 k =-0.0887 0.2146 0.2322 ( 2117 PWs) bands (ev): -51.7880 -51.7880 -51.7738 -51.7738 -24.7421 -24.7421 -24.6885 -24.6885 -16.1815 -16.1815 -16.1590 -16.1590 -16.0914 -16.0914 -15.8635 -15.8635 2.5973 2.5973 4.4203 4.4203 9.9746 9.9746 11.5902 11.5902 11.9584 11.9584 12.9410 12.9410 13.3034 13.3034 14.2483 14.2483 14.9438 14.9438 15.3421 15.3421 15.6541 15.6541 16.9033 16.9033 17.3072 17.3072 17.9613 17.9613 k =-0.0835 0.2019 0.2185 ( 2117 PWs) bands (ev): -51.7883 -51.7883 -51.7740 -51.7740 -24.7413 -24.7413 -24.6871 -24.6871 -16.1757 -16.1757 -16.1537 -16.1537 -16.0930 -16.0930 -15.8622 -15.8622 2.5385 2.5385 4.3638 4.3638 9.9901 9.9901 11.6955 11.6955 12.0406 12.0406 13.0561 13.0561 13.4130 13.4130 14.2348 14.2348 14.9213 14.9213 15.2959 15.2959 15.7271 15.7271 16.8716 16.8716 17.2639 17.2639 17.9408 17.9408 k =-0.0783 0.1893 0.2049 ( 2117 PWs) bands (ev): -51.7886 -51.7886 -51.7741 -51.7741 -24.7405 -24.7405 -24.6858 -24.6858 -16.1701 -16.1701 -16.1487 -16.1487 -16.0946 -16.0946 -15.8609 -15.8609 2.4829 2.4829 4.3103 4.3103 10.0040 10.0040 11.7949 11.7949 12.1177 12.1177 13.1739 13.1739 13.5250 13.5250 14.2238 14.2238 14.8991 14.8991 15.2548 15.2548 15.8105 15.8105 16.8368 16.8368 17.2189 17.2189 17.9220 17.9220 k =-0.0731 0.1767 0.1912 ( 2121 PWs) bands (ev): -51.7889 -51.7889 -51.7743 -51.7743 -24.7398 -24.7398 -24.6846 -24.6846 -16.1648 -16.1648 -16.1440 -16.1440 -16.0960 -16.0960 -15.8596 -15.8596 2.4305 2.4305 4.2598 4.2598 10.0165 10.0165 11.8877 11.8877 12.1891 12.1891 13.2943 13.2943 13.6390 13.6390 14.2153 14.2153 14.8801 14.8801 15.2195 15.2195 15.8999 15.8999 16.7983 16.7983 17.1717 17.1717 17.9046 17.9046 k =-0.0678 0.1641 0.1776 ( 2121 PWs) bands (ev): -51.7891 -51.7891 -51.7744 -51.7744 -24.7390 -24.7390 -24.6834 -24.6834 -16.1596 -16.1596 -16.1395 -16.1395 -16.0974 -16.0974 -15.8584 -15.8584 2.3814 2.3814 4.2124 4.2124 10.0278 10.0278 11.9734 11.9734 12.2543 12.2543 13.4173 13.4173 13.7547 13.7547 14.2092 14.2092 14.8663 14.8663 15.1905 15.1905 15.9926 15.9926 16.7554 16.7554 17.1216 17.1216 17.8882 17.8882 k =-0.0626 0.1515 0.1639 ( 2117 PWs) bands (ev): -51.7894 -51.7894 -51.7746 -51.7746 -24.7383 -24.7383 -24.6822 -24.6822 -16.1547 -16.1547 -16.1354 -16.1354 -16.0986 -16.0986 -15.8572 -15.8572 2.3357 2.3357 4.1681 4.1681 10.0379 10.0379 12.0517 12.0517 12.3130 12.3130 13.5424 13.5424 13.8715 13.8715 14.2057 14.2057 14.8585 14.8585 15.1678 15.1678 16.0867 16.0867 16.7074 16.7074 17.0677 17.0677 17.8720 17.8720 k =-0.0574 0.1388 0.1502 ( 2121 PWs) bands (ev): -51.7896 -51.7896 -51.7747 -51.7747 -24.7376 -24.7376 -24.6812 -24.6812 -16.1503 -16.1503 -16.1316 -16.1316 -16.0997 -16.0997 -15.8560 -15.8560 2.2934 2.2934 4.1272 4.1272 10.0470 10.0470 12.1222 12.1222 12.3652 12.3652 13.6695 13.6695 13.9880 13.9880 14.2053 14.2053 14.8570 14.8570 15.1513 15.1513 16.1801 16.1801 16.6540 16.6540 17.0091 17.0091 17.8551 17.8551 k =-0.0522 0.1262 0.1366 ( 2113 PWs) bands (ev): -51.7898 -51.7898 -51.7748 -51.7748 -24.7370 -24.7370 -24.6800 -24.6800 -16.1460 -16.1460 -16.1280 -16.1280 -16.1007 -16.1007 -15.8548 -15.8548 2.2546 2.2546 4.0895 4.0895 10.0551 10.0551 12.1850 12.1850 12.4108 12.4108 13.7980 13.7980 14.0995 14.0995 14.2122 14.2122 14.8616 14.8616 15.1409 15.1409 16.2695 16.2695 16.5965 16.5965 16.9453 16.9453 17.8351 17.8351 k =-0.0470 0.1136 0.1229 ( 2121 PWs) bands (ev): -51.7900 -51.7900 -51.7750 -51.7750 -24.7365 -24.7365 -24.6792 -24.6792 -16.1423 -16.1423 -16.1249 -16.1249 -16.1016 -16.1016 -15.8537 -15.8537 2.2193 2.2193 4.0553 4.0553 10.0622 10.0622 12.2400 12.2400 12.4501 12.4501 13.9274 13.9274 14.1726 14.1726 14.2586 14.2586 14.8721 14.8721 15.1362 15.1362 16.3434 16.3434 16.5444 16.5444 16.8759 16.8759 17.8082 17.8082 k =-0.0417 0.1010 0.1093 ( 2125 PWs) bands (ev): -51.7902 -51.7902 -51.7751 -51.7751 -24.7361 -24.7361 -24.6784 -24.6784 -16.1390 -16.1390 -16.1220 -16.1220 -16.1024 -16.1024 -15.8527 -15.8527 2.1876 2.1876 4.0244 4.0244 10.0685 10.0685 12.2875 12.2875 12.4835 12.4835 14.0560 14.0560 14.1897 14.1897 14.3617 14.3617 14.8876 14.8876 15.1371 15.1371 16.3582 16.3582 16.5389 16.5389 16.8016 16.8016 17.7689 17.7689 k =-0.0365 0.0884 0.0956 ( 2121 PWs) bands (ev): -51.7903 -51.7903 -51.7752 -51.7752 -24.7356 -24.7356 -24.6776 -24.6776 -16.1360 -16.1360 -16.1194 -16.1194 -16.1030 -16.1030 -15.8518 -15.8518 2.1596 2.1596 3.9971 3.9971 10.0740 10.0740 12.3278 12.3278 12.5113 12.5113 14.1671 14.1671 14.2127 14.2127 14.4732 14.4732 14.9076 14.9076 15.1433 15.1433 16.2965 16.2965 16.5904 16.5904 16.7295 16.7295 17.7169 17.7169 k =-0.0313 0.0757 0.0819 ( 2129 PWs) bands (ev): -51.7905 -51.7905 -51.7753 -51.7753 -24.7353 -24.7353 -24.6771 -24.6771 -16.1335 -16.1335 -16.1172 -16.1172 -16.1036 -16.1036 -15.8510 -15.8510 2.1352 2.1352 3.9734 3.9734 10.0787 10.0787 12.3614 12.3614 12.5340 12.5340 14.1882 14.1882 14.3217 14.3217 14.5815 14.5815 14.9313 14.9313 15.1550 15.1550 16.2053 16.2053 16.5952 16.5952 16.7176 16.7176 17.6601 17.6601 k =-0.0261 0.0631 0.0683 ( 2131 PWs) bands (ev): -51.7906 -51.7906 -51.7754 -51.7754 -24.7350 -24.7350 -24.6765 -24.6765 -16.1314 -16.1314 -16.1152 -16.1152 -16.1040 -16.1040 -15.8503 -15.8503 2.1145 2.1145 3.9532 3.9532 10.0826 10.0826 12.3886 12.3886 12.5523 12.5523 14.1917 14.1917 14.4429 14.4429 14.6820 14.6820 14.9585 14.9585 15.1727 15.1727 16.1025 16.1025 16.5197 16.5197 16.7848 16.7848 17.6063 17.6063 k =-0.0209 0.0505 0.0546 ( 2135 PWs) bands (ev): -51.7907 -51.7907 -51.7754 -51.7754 -24.7348 -24.7348 -24.6761 -24.6761 -16.1298 -16.1298 -16.1135 -16.1135 -16.1044 -16.1044 -15.8498 -15.8498 2.0976 2.0976 3.9367 3.9367 10.0858 10.0858 12.4102 12.4102 12.5664 12.5664 14.1936 14.1936 14.5566 14.5566 14.7700 14.7700 14.9897 14.9897 15.1971 15.1971 15.9949 15.9949 16.4333 16.4333 16.8604 16.8604 17.5589 17.5589 k =-0.0157 0.0379 0.0410 ( 2133 PWs) bands (ev): -51.7908 -51.7908 -51.7755 -51.7755 -24.7345 -24.7345 -24.6758 -24.6758 -16.1285 -16.1285 -16.1120 -16.1120 -16.1048 -16.1048 -15.8493 -15.8493 2.0843 2.0843 3.9238 3.9238 10.0882 10.0882 12.4264 12.4264 12.5769 12.5769 14.1948 14.1948 14.6551 14.6551 14.8408 14.8408 15.0258 15.0258 15.2279 15.2279 15.8886 15.8886 16.3507 16.3507 16.9313 16.9313 17.5183 17.5183 k =-0.0104 0.0252 0.0273 ( 2125 PWs) bands (ev): -51.7908 -51.7908 -51.7755 -51.7755 -24.7343 -24.7343 -24.6754 -24.6754 -16.1276 -16.1276 -16.1108 -16.1108 -16.1050 -16.1050 -15.8489 -15.8489 2.0749 2.0749 3.9146 3.9146 10.0900 10.0900 12.4376 12.4376 12.5842 12.5842 14.1956 14.1956 14.7299 14.7299 14.8915 14.8915 15.0666 15.0666 15.2613 15.2613 15.7921 15.7921 16.2808 16.2808 16.9915 16.9915 17.4845 17.4845 k =-0.0052 0.0126 0.0137 ( 2121 PWs) bands (ev): -51.7908 -51.7908 -51.7755 -51.7755 -24.7341 -24.7341 -24.6752 -24.6752 -16.1271 -16.1271 -16.1100 -16.1100 -16.1053 -16.1053 -15.8486 -15.8486 2.0692 2.0692 3.9090 3.9090 10.0911 10.0911 12.4443 12.4443 12.5884 12.5884 14.1961 14.1961 14.7750 14.7750 14.9213 14.9213 15.1048 15.1048 15.2885 15.2885 15.7198 15.7198 16.2326 16.2326 17.0338 17.0338 17.4599 17.4599 k = 0.0000 0.0000 0.0000 ( 2115 PWs) bands (ev): -51.7909 -51.7909 -51.7755 -51.7755 -24.7340 -24.7340 -24.6752 -24.6752 -16.1269 -16.1269 -16.1096 -16.1096 -16.1054 -16.1054 -15.8485 -15.8485 2.0673 2.0673 3.9072 3.9072 10.0914 10.0914 12.4465 12.4465 12.5898 12.5898 14.1962 14.1962 14.7897 14.7897 14.9310 14.9310 15.1217 15.1217 15.2992 15.2992 15.6918 15.6918 16.2153 16.2153 17.0494 17.0494 17.4505 17.4505 k = 0.0000 0.0000 0.0000 ( 2115 PWs) bands (ev): -51.7909 -51.7909 -51.7755 -51.7755 -24.7340 -24.7340 -24.6752 -24.6752 -16.1269 -16.1269 -16.1096 -16.1096 -16.1054 -16.1054 -15.8485 -15.8485 2.0673 2.0673 3.9072 3.9072 10.0914 10.0914 12.4465 12.4465 12.5898 12.5898 14.1962 14.1962 14.7897 14.7897 14.9310 14.9310 15.1217 15.1217 15.2992 15.2992 15.6918 15.6918 16.2153 16.2153 17.0494 17.0494 17.4505 17.4505 k = 0.0179 0.0074 0.0000 ( 2123 PWs) bands (ev): -51.7908 -51.7908 -51.7755 -51.7755 -24.7341 -24.7341 -24.6752 -24.6752 -16.1269 -16.1269 -16.1099 -16.1099 -16.1051 -16.1051 -15.8487 -15.8487 2.0685 2.0685 3.9053 3.9053 10.0943 10.0943 12.4448 12.4448 12.5891 12.5891 14.1941 14.1941 14.7900 14.7900 14.9303 14.9303 15.1230 15.1230 15.2992 15.2992 15.6922 15.6922 16.2149 16.2149 17.0512 17.0512 17.4409 17.4409 k = 0.0357 0.0148 0.0000 ( 2135 PWs) bands (ev): -51.7908 -51.7908 -51.7756 -51.7756 -24.7341 -24.7341 -24.6755 -24.6755 -16.1269 -16.1269 -16.1102 -16.1102 -16.1044 -16.1044 -15.8495 -15.8495 2.0721 2.0721 3.8996 3.8996 10.1029 10.1029 12.4397 12.4397 12.5869 12.5869 14.1878 14.1878 14.7909 14.7909 14.9283 14.9283 15.1269 15.1269 15.2993 15.2993 15.6936 15.6936 16.2136 16.2136 17.0568 17.0568 17.4142 17.4142 k = 0.0536 0.0221 0.0000 ( 2131 PWs) bands (ev): -51.7908 -51.7908 -51.7756 -51.7756 -24.7338 -24.7338 -24.6757 -24.6757 -16.1269 -16.1269 -16.1105 -16.1105 -16.1032 -16.1032 -15.8505 -15.8505 2.0780 2.0780 3.8902 3.8902 10.1174 10.1174 12.4314 12.4314 12.5835 12.5835 14.1771 14.1771 14.7924 14.7924 14.9250 14.9250 15.1333 15.1333 15.2995 15.2995 15.6958 15.6958 16.2114 16.2114 17.0661 17.0661 17.3747 17.3747 k = 0.0714 0.0295 0.0000 ( 2119 PWs) bands (ev): -51.7907 -51.7907 -51.7757 -51.7757 -24.7333 -24.7333 -24.6760 -24.6760 -16.1266 -16.1266 -16.1107 -16.1107 -16.1015 -16.1015 -15.8519 -15.8519 2.0863 2.0863 3.8772 3.8772 10.1374 10.1374 12.4201 12.4201 12.5787 12.5787 14.1618 14.1618 14.7945 14.7945 14.9207 14.9207 15.1419 15.1419 15.2998 15.2998 15.6990 15.6990 16.2084 16.2084 17.0794 17.0794 17.3270 17.3270 k = 0.0893 0.0369 0.0000 ( 2119 PWs) bands (ev): -51.7906 -51.7906 -51.7758 -51.7758 -24.7329 -24.7329 -24.6764 -24.6764 -16.1265 -16.1265 -16.1110 -16.1110 -16.0996 -16.0996 -15.8537 -15.8537 2.0969 2.0969 3.8606 3.8606 10.1630 10.1630 12.4058 12.4058 12.5728 12.5728 14.1418 14.1418 14.7971 14.7971 14.9156 14.9156 15.1525 15.1525 15.3004 15.3004 15.7029 15.7029 16.2047 16.2047 17.0962 17.0962 17.2749 17.2749 k = 0.1071 0.0443 0.0000 ( 2115 PWs) bands (ev): -51.7904 -51.7904 -51.7759 -51.7759 -24.7324 -24.7324 -24.6768 -24.6768 -16.1264 -16.1264 -16.1113 -16.1113 -16.0973 -16.0973 -15.8559 -15.8559 2.1099 2.1099 3.8405 3.8405 10.1940 10.1940 12.3888 12.3888 12.5658 12.5658 14.1166 14.1166 14.8000 14.8000 14.9099 14.9099 15.1650 15.1650 15.3014 15.3014 15.7077 15.7077 16.2001 16.2001 17.1143 17.1143 17.2234 17.2234 k = 0.1250 0.0517 0.0000 ( 2119 PWs) bands (ev): -51.7903 -51.7903 -51.7761 -51.7761 -24.7319 -24.7319 -24.6774 -24.6774 -16.1263 -16.1263 -16.1116 -16.1116 -16.0947 -16.0947 -15.8585 -15.8585 2.1252 2.1252 3.8171 3.8171 10.2303 10.2303 12.3695 12.3695 12.5579 12.5579 14.0862 14.0862 14.8033 14.8033 14.9037 14.9037 15.1790 15.1790 15.3028 15.3028 15.7133 15.7133 16.1947 16.1947 17.1168 17.1168 17.1909 17.1909 k = 0.1429 0.0591 0.0000 ( 2119 PWs) bands (ev): -51.7901 -51.7901 -51.7763 -51.7763 -24.7312 -24.7312 -24.6781 -24.6781 -16.1262 -16.1262 -16.1119 -16.1119 -16.0918 -16.0918 -15.8616 -15.8616 2.1427 2.1427 3.7905 3.7905 10.2715 10.2715 12.3480 12.3480 12.5493 12.5493 14.0502 14.0502 14.8068 14.8068 14.8972 14.8972 15.1945 15.1945 15.3049 15.3049 15.7196 15.7196 16.1886 16.1886 17.0768 17.0768 17.1498 17.1498 k = 0.1607 0.0664 0.0000 ( 2111 PWs) bands (ev): -51.7899 -51.7899 -51.7764 -51.7764 -24.7304 -24.7304 -24.6788 -24.6788 -16.1259 -16.1259 -16.1122 -16.1122 -16.0884 -16.0884 -15.8649 -15.8649 2.1625 2.1625 3.7609 3.7609 10.3177 10.3177 12.3247 12.3247 12.5402 12.5402 14.0086 14.0086 14.8104 14.8104 14.8905 14.8905 15.2114 15.2114 15.3078 15.3078 15.7266 15.7266 16.1818 16.1818 17.0206 17.0206 17.0865 17.0865 k = 0.1786 0.0738 0.0000 ( 2115 PWs) bands (ev): -51.7897 -51.7897 -51.7767 -51.7767 -24.7296 -24.7296 -24.6796 -24.6796 -16.1257 -16.1257 -16.1125 -16.1125 -16.0849 -16.0849 -15.8687 -15.8687 2.1844 2.1844 3.7285 3.7285 10.3684 10.3684 12.2998 12.2998 12.5308 12.5308 13.9614 13.9614 14.8140 14.8140 14.8837 14.8837 15.2294 15.2294 15.3116 15.3116 15.7343 15.7343 16.1742 16.1742 16.9613 16.9613 17.0241 17.0241 k = 0.1964 0.0812 0.0000 ( 2115 PWs) bands (ev): -51.7894 -51.7894 -51.7769 -51.7769 -24.7287 -24.7287 -24.6805 -24.6805 -16.1254 -16.1254 -16.1128 -16.1128 -16.0810 -16.0810 -15.8728 -15.8728 2.2085 2.2085 3.6934 3.6934 10.4235 10.4235 12.2735 12.2735 12.5214 12.5214 13.9087 13.9087 14.8174 14.8174 14.8770 14.8770 15.2485 15.2485 15.3165 15.3165 15.7426 15.7426 16.1661 16.1661 16.9013 16.9013 16.9627 16.9627 k = 0.2143 0.0886 0.0000 ( 2107 PWs) bands (ev): -51.7891 -51.7891 -51.7771 -51.7771 -24.7277 -24.7277 -24.6815 -24.6815 -16.1252 -16.1252 -16.1130 -16.1130 -16.0767 -16.0767 -15.8771 -15.8771 2.2348 2.2348 3.6559 3.6559 10.4826 10.4826 12.2462 12.2462 12.5122 12.5122 13.8506 13.8506 14.8205 14.8205 14.8704 14.8704 15.2686 15.2686 15.3226 15.3226 15.7516 15.7516 16.1573 16.1573 16.8417 16.8417 16.9023 16.9023 k = 0.2321 0.0960 0.0000 ( 2107 PWs) bands (ev): -51.7889 -51.7889 -51.7774 -51.7774 -24.7266 -24.7266 -24.6825 -24.6825 -16.1249 -16.1249 -16.1133 -16.1133 -16.0722 -16.0722 -15.8818 -15.8818 2.2630 2.2630 3.6162 3.6162 10.5455 10.5455 12.2179 12.2179 12.5035 12.5035 13.7875 13.7875 14.8233 14.8233 14.8640 14.8640 15.2895 15.2895 15.3302 15.3302 15.7612 15.7612 16.1479 16.1479 16.7827 16.7827 16.8431 16.8431 k = 0.2500 0.1034 0.0000 ( 2107 PWs) bands (ev): -51.7886 -51.7886 -51.7777 -51.7777 -24.7254 -24.7254 -24.6837 -24.6837 -16.1246 -16.1246 -16.1137 -16.1137 -16.0674 -16.0674 -15.8869 -15.8869 2.2933 2.2933 3.5745 3.5745 10.6118 10.6118 12.1888 12.1888 12.4956 12.4956 13.7199 13.7199 14.8257 14.8257 14.8578 14.8578 15.3111 15.3111 15.3391 15.3391 15.7714 15.7714 16.1380 16.1380 16.7248 16.7248 16.7851 16.7851 k = 0.2679 0.1107 0.0000 ( 2111 PWs) bands (ev): -51.7883 -51.7883 -51.7780 -51.7780 -24.7242 -24.7242 -24.6850 -24.6850 -16.1242 -16.1242 -16.1140 -16.1140 -16.0623 -16.0623 -15.8923 -15.8923 2.3255 2.3255 3.5309 3.5309 10.6812 10.6812 12.1591 12.1591 12.4888 12.4888 13.6481 13.6481 14.8275 14.8275 14.8519 14.8519 15.3333 15.3333 15.3496 15.3496 15.7822 15.7822 16.1276 16.1276 16.6683 16.6683 16.7285 16.7285 k = 0.2857 0.1181 0.0000 ( 2103 PWs) bands (ev): -51.7879 -51.7879 -51.7784 -51.7784 -24.7230 -24.7230 -24.6860 -24.6860 -16.1239 -16.1239 -16.1143 -16.1143 -16.0570 -16.0570 -15.8978 -15.8978 2.3597 2.3597 3.4857 3.4857 10.7533 10.7533 12.1287 12.1287 12.4834 12.4834 13.5729 13.5729 14.8288 14.8288 14.8465 14.8465 15.3559 15.3559 15.3616 15.3616 15.7937 15.7937 16.1169 16.1169 16.6133 16.6133 16.6734 16.6734 k = 0.3036 0.1255 0.0000 ( 2103 PWs) bands (ev): -51.7876 -51.7876 -51.7787 -51.7787 -24.7217 -24.7217 -24.6874 -24.6874 -16.1236 -16.1236 -16.1146 -16.1146 -16.0514 -16.0514 -15.9036 -15.9036 2.3956 2.3956 3.4390 3.4390 10.8278 10.8278 12.0977 12.0977 12.4799 12.4799 13.4949 13.4949 14.8295 14.8295 14.8414 14.8414 15.3751 15.3751 15.3787 15.3787 15.8058 15.8058 16.1058 16.1058 16.5603 16.5603 16.6199 16.6199 k = 0.3214 0.1329 0.0000 ( 2103 PWs) bands (ev): -51.7872 -51.7872 -51.7791 -51.7791 -24.7203 -24.7203 -24.6888 -24.6888 -16.1232 -16.1232 -16.1150 -16.1150 -16.0455 -16.0455 -15.9097 -15.9097 2.4332 2.4332 3.3912 3.3912 10.9040 10.9040 12.0660 12.0660 12.4785 12.4785 13.4148 13.4148 14.8298 14.8298 14.8368 14.8368 15.3899 15.3899 15.4014 15.4014 15.8186 15.8186 16.0944 16.0944 16.5095 16.5095 16.5682 16.5682 k = 0.3393 0.1403 0.0000 ( 2103 PWs) bands (ev): -51.7868 -51.7868 -51.7794 -51.7794 -24.7189 -24.7189 -24.6902 -24.6902 -16.1228 -16.1228 -16.1153 -16.1153 -16.0395 -16.0395 -15.9160 -15.9160 2.4725 2.4725 3.3423 3.3423 10.9817 10.9817 12.0334 12.0334 12.4796 12.4796 13.3333 13.3333 14.8295 14.8295 14.8327 14.8327 15.4059 15.4059 15.4238 15.4238 15.8320 15.8320 16.0829 16.0829 16.4612 16.4612 16.5186 16.5186 k = 0.3571 0.1477 0.0000 ( 2103 PWs) bands (ev): -51.7865 -51.7865 -51.7798 -51.7798 -24.7174 -24.7174 -24.6917 -24.6917 -16.1224 -16.1224 -16.1157 -16.1157 -16.0332 -16.0332 -15.9225 -15.9225 2.5133 2.5133 3.2925 3.2925 11.0602 11.0602 11.9997 11.9997 12.4838 12.4838 13.2513 13.2513 14.8288 14.8288 14.8291 14.8291 15.4229 15.4229 15.4455 15.4455 15.8461 15.8461 16.0711 16.0711 16.4158 16.4158 16.4711 16.4711 k = 0.3750 0.1550 0.0000 ( 2106 PWs) bands (ev): -51.7861 -51.7861 -51.7802 -51.7802 -24.7159 -24.7159 -24.6932 -24.6932 -16.1220 -16.1220 -16.1161 -16.1161 -16.0268 -16.0268 -15.9292 -15.9292 2.5556 2.5556 3.2421 3.2421 11.1390 11.1390 11.9645 11.9645 12.4916 12.4916 13.1697 13.1697 14.8261 14.8261 14.8278 14.8278 15.4404 15.4404 15.4661 15.4661 15.8608 15.8608 16.0594 16.0594 16.3739 16.3739 16.4262 16.4262 k = 0.3929 0.1624 0.0000 ( 2106 PWs) bands (ev): -51.7857 -51.7857 -51.7806 -51.7806 -24.7143 -24.7143 -24.6948 -24.6948 -16.1216 -16.1216 -16.1165 -16.1165 -16.0202 -16.0202 -15.9360 -15.9360 2.5993 2.5993 3.1912 3.1912 11.2173 11.2173 11.9276 11.9276 12.5033 12.5033 13.0894 13.0894 14.8236 14.8236 14.8265 14.8265 15.4580 15.4580 15.4850 15.4850 15.8761 15.8761 16.0476 16.0476 16.3359 16.3359 16.3842 16.3842 k = 0.4107 0.1698 0.0000 ( 2090 PWs) bands (ev): -51.7852 -51.7852 -51.7810 -51.7810 -24.7126 -24.7126 -24.6961 -24.6961 -16.1211 -16.1211 -16.1168 -16.1168 -16.0133 -16.0133 -15.9426 -15.9426 2.6444 2.6444 3.1400 3.1400 11.2947 11.2947 11.8884 11.8884 12.5196 12.5196 13.0115 13.0115 14.8216 14.8216 14.8252 14.8252 15.4754 15.4754 15.5018 15.5018 15.8920 15.8920 16.0358 16.0358 16.3026 16.3026 16.3457 16.3457 k = 0.4286 0.1772 0.0000 ( 2090 PWs) bands (ev): -51.7848 -51.7848 -51.7814 -51.7814 -24.7110 -24.7110 -24.6978 -24.6978 -16.1207 -16.1207 -16.1172 -16.1172 -16.0065 -16.0065 -15.9496 -15.9496 2.6906 2.6906 3.0887 3.0887 11.3702 11.3702 11.8465 11.8465 12.5411 12.5411 12.9367 12.9367 14.8202 14.8202 14.8237 14.8237 15.4918 15.4918 15.5158 15.5158 15.9083 15.9083 16.0239 16.0239 16.2746 16.2746 16.3113 16.3113 k = 0.4464 0.1846 0.0000 ( 2082 PWs) bands (ev): -51.7843 -51.7843 -51.7818 -51.7818 -24.7094 -24.7094 -24.6992 -24.6992 -16.1203 -16.1203 -16.1175 -16.1175 -15.9995 -15.9995 -15.9566 -15.9566 2.7379 2.7379 3.0374 3.0374 11.4433 11.4433 11.8012 11.8012 12.5682 12.5682 12.8662 12.8662 14.8193 14.8193 14.8223 14.8223 15.5066 15.5066 15.5265 15.5265 15.9248 15.9248 16.0119 16.0119 16.2528 16.2528 16.2818 16.2818 k = 0.4643 0.1920 0.0000 ( 2082 PWs) bands (ev): -51.7839 -51.7839 -51.7822 -51.7822 -24.7077 -24.7077 -24.7009 -24.7009 -16.1198 -16.1198 -16.1179 -16.1179 -15.9924 -15.9924 -15.9637 -15.9637 2.7861 2.7861 2.9862 2.9862 11.5132 11.5132 11.7522 11.7522 12.6015 12.6015 12.8007 12.8007 14.8188 14.8188 14.8210 14.8210 15.5190 15.5190 15.5333 15.5333 15.9411 15.9411 15.9994 15.9994 16.2381 16.2381 16.2582 16.2582 k = 0.4821 0.1993 0.0000 ( 2082 PWs) bands (ev): -51.7835 -51.7835 -51.7826 -51.7826 -24.7060 -24.7060 -24.7026 -24.7026 -16.1193 -16.1193 -16.1184 -16.1184 -15.9853 -15.9853 -15.9709 -15.9709 2.8352 2.8352 2.9354 2.9354 11.5793 11.5793 11.6989 11.6989 12.6414 12.6414 12.7411 12.7411 14.8188 14.8188 14.8200 14.8200 15.5285 15.5285 15.5359 15.5359 15.9570 15.9570 15.9862 15.9862 16.2310 16.2310 16.2413 16.2413 k = 0.5000 0.2067 0.0000 ( 2082 PWs) bands (ev): -51.7831 -51.7831 -51.7831 -51.7831 -24.7043 -24.7043 -24.7043 -24.7043 -16.1189 -16.1189 -16.1189 -16.1189 -15.9781 -15.9781 -15.9781 -15.9781 2.8850 2.8850 2.8850 2.8850 11.6413 11.6413 11.6413 11.6413 12.6879 12.6879 12.6879 12.6879 14.8192 14.8192 14.8192 14.8192 15.5342 15.5342 15.5342 15.5342 15.9721 15.9721 15.9721 15.9721 16.2321 16.2321 16.2321 16.2321 k = 0.5000 0.2067 0.0000 ( 2082 PWs) bands (ev): -51.7831 -51.7831 -51.7831 -51.7831 -24.7043 -24.7043 -24.7043 -24.7043 -16.1189 -16.1189 -16.1189 -16.1189 -15.9781 -15.9781 -15.9781 -15.9781 2.8850 2.8850 2.8850 2.8850 11.6413 11.6413 11.6413 11.6413 12.6879 12.6879 12.6879 12.6879 14.8192 14.8192 14.8192 14.8192 15.5342 15.5342 15.5342 15.5342 15.9721 15.9721 15.9721 15.9721 16.2321 16.2321 16.2321 16.2321 k = 0.4948 0.2193 0.0136 ( 2078 PWs) bands (ev): -51.7830 -51.7830 -51.7830 -51.7830 -24.7043 -24.7043 -24.7043 -24.7043 -16.1194 -16.1194 -16.1186 -16.1186 -15.9786 -15.9786 -15.9777 -15.9777 2.8867 2.8867 2.8869 2.8869 11.6356 11.6356 11.6458 11.6458 12.6819 12.6819 12.6903 12.6903 14.7965 14.7965 14.8188 14.8188 15.5313 15.5313 15.5359 15.5359 15.8915 15.8915 15.9945 15.9945 16.2298 16.2298 16.3192 16.3192 k = 0.4896 0.2319 0.0272 ( 2082 PWs) bands (ev): -51.7830 -51.7830 -51.7830 -51.7830 -24.7045 -24.7045 -24.7045 -24.7045 -16.1204 -16.1204 -16.1187 -16.1187 -15.9791 -15.9791 -15.9773 -15.9773 2.8920 2.8920 2.8925 2.8925 11.6280 11.6280 11.6496 11.6496 12.6698 12.6698 12.6914 12.6914 14.7335 14.7335 14.8174 14.8174 15.5223 15.5223 15.5375 15.5375 15.7564 15.7564 16.0525 16.0525 16.2279 16.2279 16.4770 16.4770 k = 0.4844 0.2444 0.0408 ( 2086 PWs) bands (ev): -51.7830 -51.7830 -51.7830 -51.7830 -24.7048 -24.7048 -24.7047 -24.7047 -16.1218 -16.1218 -16.1192 -16.1192 -15.9798 -15.9798 -15.9770 -15.9770 2.9009 2.9009 2.9017 2.9017 11.6180 11.6180 11.6532 11.6532 12.6505 12.6505 12.6922 12.6922 14.6414 14.6414 14.8146 14.8146 15.4878 15.4878 15.5362 15.5362 15.6439 15.6439 16.1081 16.1081 16.2539 16.2539 16.6511 16.6511 k = 0.4792 0.2570 0.0544 ( 2090 PWs) bands (ev): -51.7830 -51.7830 -51.7829 -51.7829 -24.7052 -24.7052 -24.7049 -24.7049 -16.1235 -16.1235 -16.1201 -16.1201 -15.9805 -15.9805 -15.9766 -15.9766 2.9135 2.9135 2.9145 2.9145 11.6052 11.6052 11.6569 11.6569 12.6238 12.6238 12.6928 12.6928 14.5310 14.5310 14.8090 14.8090 15.3889 15.3889 15.5323 15.5323 15.6034 15.6034 16.1111 16.1111 16.3483 16.3483 16.8325 16.8325 k = 0.4740 0.2696 0.0680 ( 2090 PWs) bands (ev): -51.7829 -51.7829 -51.7828 -51.7828 -24.7056 -24.7056 -24.7052 -24.7052 -16.1256 -16.1256 -16.1212 -16.1212 -15.9813 -15.9813 -15.9761 -15.9761 2.9297 2.9297 2.9310 2.9310 11.5892 11.5892 11.6610 11.6610 12.5898 12.5898 12.6930 12.6930 14.4097 14.4097 14.7975 14.7975 15.2621 15.2621 15.5286 15.5286 15.6013 15.6013 16.0827 16.0827 16.4836 16.4836 17.0187 17.0187 k = 0.4688 0.2821 0.0816 ( 2090 PWs) bands (ev): -51.7829 -51.7829 -51.7827 -51.7827 -24.7061 -24.7061 -24.7056 -24.7056 -16.1280 -16.1280 -16.1227 -16.1227 -15.9823 -15.9823 -15.9756 -15.9756 2.9494 2.9494 2.9510 2.9510 11.5697 11.5697 11.6655 11.6655 12.5485 12.5485 12.6924 12.6924 14.2822 14.2822 14.7726 14.7726 15.1444 15.1444 15.5256 15.5256 15.6093 15.6093 16.0421 16.0421 16.6370 16.6370 17.2089 17.2089 k = 0.4636 0.2947 0.0952 ( 2100 PWs) bands (ev): -51.7828 -51.7828 -51.7826 -51.7826 -24.7068 -24.7068 -24.7062 -24.7062 -16.1308 -16.1308 -16.1246 -16.1246 -15.9834 -15.9834 -15.9752 -15.9752 2.9727 2.9727 2.9745 2.9745 11.5466 11.5466 11.6704 11.6704 12.5001 12.5001 12.6907 12.6907 14.1517 14.1517 14.7206 14.7206 15.0566 15.0566 15.5236 15.5236 15.6212 15.6212 15.9949 15.9949 16.8012 16.8012 17.4026 17.4026 k = 0.4584 0.3073 0.1088 ( 2100 PWs) bands (ev): -51.7827 -51.7827 -51.7824 -51.7824 -24.7074 -24.7074 -24.7066 -24.7066 -16.1340 -16.1340 -16.1267 -16.1267 -15.9845 -15.9845 -15.9745 -15.9745 2.9995 2.9995 3.0016 3.0016 11.5196 11.5196 11.6758 11.6758 12.4451 12.4451 12.6873 12.6873 14.0200 14.0200 14.6326 14.6326 15.0100 15.0100 15.5225 15.5225 15.6356 15.6356 15.9441 15.9441 16.9731 16.9731 17.5993 17.5993 k = 0.4532 0.3198 0.1224 ( 2100 PWs) bands (ev): -51.7826 -51.7826 -51.7823 -51.7823 -24.7082 -24.7082 -24.7072 -24.7072 -16.1374 -16.1374 -16.1292 -16.1292 -15.9856 -15.9856 -15.9738 -15.9738 3.0297 3.0297 3.0322 3.0322 11.4883 11.4883 11.6815 11.6815 12.3839 12.3839 12.6817 12.6817 13.8883 13.8883 14.5183 14.5183 14.9960 14.9960 15.5224 15.5224 15.6520 15.6520 15.8916 15.8916 17.1509 17.1509 17.7987 17.7987 k = 0.4480 0.3324 0.1360 ( 2102 PWs) bands (ev): -51.7825 -51.7825 -51.7821 -51.7821 -24.7090 -24.7090 -24.7078 -24.7078 -16.1413 -16.1413 -16.1320 -16.1320 -15.9869 -15.9869 -15.9730 -15.9730 3.0633 3.0633 3.0662 3.0662 11.4524 11.4524 11.6874 11.6874 12.3173 12.3173 12.6733 12.6733 13.7576 13.7576 14.3916 14.3916 15.0014 15.0014 15.5235 15.5235 15.6702 15.6702 15.8395 15.8395 17.3334 17.3334 18.0005 18.0005 k = 0.4428 0.3450 0.1496 ( 2106 PWs) bands (ev): -51.7824 -51.7824 -51.7819 -51.7819 -24.7100 -24.7100 -24.7085 -24.7085 -16.1455 -16.1455 -16.1352 -16.1352 -15.9882 -15.9882 -15.9721 -15.9721 3.1003 3.1003 3.1036 3.1036 11.4115 11.4115 11.6934 11.6934 12.2461 12.2461 12.6613 12.6613 13.6283 13.6283 14.2607 14.2607 15.0187 15.0187 15.5259 15.5259 15.6901 15.6901 15.7896 15.7896 17.5200 17.5200 18.2040 18.2040 k = 0.4376 0.3575 0.1632 ( 2110 PWs) bands (ev): -51.7823 -51.7823 -51.7817 -51.7817 -24.7110 -24.7110 -24.7093 -24.7093 -16.1501 -16.1501 -16.1387 -16.1387 -15.9895 -15.9895 -15.9712 -15.9712 3.1406 3.1406 3.1444 3.1444 11.3649 11.3649 11.6993 11.6993 12.1712 12.1712 12.6453 12.6453 13.5009 13.5009 14.1290 14.1290 15.0445 15.0445 15.5297 15.5297 15.7116 15.7116 15.7435 15.7435 17.7101 17.7101 18.4073 18.4073 k = 0.4324 0.3701 0.1768 ( 2110 PWs) bands (ev): -51.7821 -51.7821 -51.7814 -51.7814 -24.7121 -24.7121 -24.7101 -24.7101 -16.1548 -16.1548 -16.1426 -16.1426 -15.9907 -15.9907 -15.9701 -15.9701 3.1841 3.1841 3.1884 3.1884 11.3123 11.3123 11.7047 11.7047 12.0940 12.0940 12.6246 12.6246 13.3758 13.3758 13.9983 13.9983 15.0772 15.0772 15.5352 15.5352 15.7030 15.7030 15.7348 15.7348 17.9030 17.9030 18.6038 18.6038 k = 0.4273 0.3827 0.1904 ( 2106 PWs) bands (ev): -51.7820 -51.7820 -51.7811 -51.7811 -24.7131 -24.7131 -24.7109 -24.7109 -16.1598 -16.1598 -16.1466 -16.1466 -15.9920 -15.9920 -15.9690 -15.9690 3.2308 3.2308 3.2357 3.2357 11.2528 11.2528 11.7093 11.7093 12.0157 12.0157 12.5988 12.5988 13.2532 13.2532 13.8697 13.8697 15.1158 15.1158 15.5425 15.5425 15.6695 15.6695 15.7595 15.7595 18.0984 18.0984 18.7450 18.7450 k = 0.4221 0.3952 0.2040 ( 2110 PWs) bands (ev): -51.7818 -51.7818 -51.7809 -51.7809 -24.7143 -24.7143 -24.7117 -24.7117 -16.1652 -16.1652 -16.1511 -16.1511 -15.9933 -15.9933 -15.9677 -15.9677 3.2805 3.2805 3.2862 3.2862 11.1860 11.1860 11.7126 11.7126 11.9375 11.9375 12.5679 12.5679 13.1333 13.1333 13.7435 13.7435 15.1594 15.1594 15.5522 15.5522 15.6445 15.6445 15.7859 15.7859 18.2956 18.2956 18.7694 18.7694 k = 0.4169 0.4078 0.2176 ( 2110 PWs) bands (ev): -51.7816 -51.7816 -51.7806 -51.7806 -24.7156 -24.7156 -24.7125 -24.7125 -16.1706 -16.1706 -16.1559 -16.1559 -15.9945 -15.9945 -15.9664 -15.9664 3.3332 3.3332 3.3399 3.3399 11.1112 11.1112 11.7138 11.7138 11.8606 11.8606 12.5319 12.5319 13.0163 13.0163 13.6202 13.6202 15.2071 15.2071 15.5646 15.5646 15.6291 15.6291 15.8138 15.8138 18.4935 18.4935 18.7650 18.7650 k = 0.4117 0.4204 0.2312 ( 2106 PWs) bands (ev): -51.7814 -51.7814 -51.7803 -51.7803 -24.7169 -24.7169 -24.7133 -24.7133 -16.1763 -16.1763 -16.1609 -16.1609 -15.9957 -15.9957 -15.9650 -15.9650 3.3888 3.3888 3.3966 3.3966 11.0282 11.0282 11.7118 11.7118 11.7864 11.7864 12.4916 12.4916 12.9022 12.9022 13.4999 13.4999 15.2573 15.2573 15.5805 15.5805 15.6248 15.6248 15.8433 15.8433 18.6896 18.6896 18.7557 18.7557 k = 0.4065 0.4329 0.2448 ( 2108 PWs) bands (ev): -51.7813 -51.7813 -51.7800 -51.7800 -24.7183 -24.7183 -24.7143 -24.7143 -16.1822 -16.1822 -16.1663 -16.1663 -15.9969 -15.9969 -15.9635 -15.9635 3.4471 3.4471 3.4563 3.4563 10.9371 10.9371 11.7016 11.7016 11.7191 11.7191 12.4481 12.4481 12.7912 12.7912 13.3828 13.3828 15.3079 15.3079 15.6007 15.6007 15.6329 15.6329 15.8744 15.8744 18.7447 18.7447 18.8749 18.8749 k = 0.4013 0.4455 0.2584 ( 2112 PWs) bands (ev): -51.7811 -51.7811 -51.7797 -51.7797 -24.7198 -24.7198 -24.7152 -24.7152 -16.1883 -16.1883 -16.1719 -16.1719 -15.9980 -15.9980 -15.9619 -15.9619 3.5081 3.5081 3.5190 3.5190 10.8381 10.8381 11.6442 11.6442 11.6964 11.6964 12.4031 12.4031 12.6834 12.6834 13.2690 13.2690 15.3560 15.3560 15.6274 15.6274 15.6546 15.6546 15.9073 15.9073 18.7335 18.7335 18.9991 18.9991 k = 0.3961 0.4581 0.2720 ( 2112 PWs) bands (ev): -51.7809 -51.7809 -51.7794 -51.7794 -24.7213 -24.7213 -24.7162 -24.7162 -16.1944 -16.1944 -16.1777 -16.1777 -15.9990 -15.9990 -15.9603 -15.9603 3.5716 3.5716 3.5845 3.5845 10.7318 10.7318 11.5798 11.5798 11.6760 11.6760 12.3590 12.3590 12.5789 12.5789 13.1586 13.1586 15.3980 15.3980 15.6635 15.6635 15.6896 15.6896 15.9420 15.9420 18.7226 18.7226 19.0328 19.0328 k = 0.3909 0.4706 0.2856 ( 2108 PWs) bands (ev): -51.7807 -51.7807 -51.7790 -51.7790 -24.7227 -24.7227 -24.7171 -24.7171 -16.2007 -16.2007 -16.1836 -16.1836 -16.0000 -16.0000 -15.9585 -15.9585 3.6374 3.6374 3.6528 3.6528 10.6191 10.6191 11.5183 11.5183 11.6458 11.6458 12.3185 12.3185 12.4779 12.4779 13.0517 13.0517 15.4320 15.4320 15.7104 15.7104 15.7381 15.7381 15.9790 15.9790 18.7123 18.7123 19.0436 19.0436 k = 0.3857 0.4832 0.2992 ( 2108 PWs) bands (ev): -51.7805 -51.7805 -51.7787 -51.7787 -24.7242 -24.7242 -24.7181 -24.7181 -16.2070 -16.2070 -16.1897 -16.1897 -16.0009 -16.0009 -15.9567 -15.9567 3.7056 3.7056 3.7237 3.7237 10.5010 10.5010 11.4595 11.4595 11.6033 11.6033 12.2839 12.2839 12.3808 12.3808 12.9483 12.9483 15.4579 15.4579 15.7668 15.7668 15.7998 15.7998 16.0187 16.0187 18.7030 18.7030 19.0491 19.0491 k = 0.3805 0.4958 0.3128 ( 2106 PWs) bands (ev): -51.7803 -51.7803 -51.7783 -51.7783 -24.7257 -24.7257 -24.7190 -24.7190 -16.2134 -16.2134 -16.1959 -16.1959 -16.0018 -16.0018 -15.9549 -15.9549 3.7758 3.7758 3.7973 3.7973 10.3784 10.3784 11.4032 11.4032 11.5474 11.5474 12.2534 12.2534 12.2909 12.2909 12.8486 12.8486 15.4776 15.4776 15.8320 15.8320 15.8719 15.8719 16.0626 16.0626 18.6949 18.6949 19.0524 19.0524 k = 0.3753 0.5083 0.3264 ( 2110 PWs) bands (ev): -51.7802 -51.7802 -51.7780 -51.7780 -24.7273 -24.7273 -24.7201 -24.7201 -16.2199 -16.2199 -16.2023 -16.2023 -16.0027 -16.0027 -15.9531 -15.9531 3.8480 3.8480 3.8734 3.8734 10.2521 10.2521 11.3489 11.3489 11.4781 11.4781 12.1886 12.1886 12.2477 12.2477 12.7526 12.7526 15.4927 15.4927 15.9060 15.9060 15.9487 15.9487 16.1133 16.1133 18.6882 18.6882 19.0543 19.0543 k = 0.3701 0.5209 0.3400 ( 2110 PWs) bands (ev): -51.7800 -51.7800 -51.7776 -51.7776 -24.7288 -24.7288 -24.7210 -24.7210 -16.2262 -16.2262 -16.2087 -16.2087 -16.0035 -16.0035 -15.9511 -15.9511 3.9219 3.9219 3.9518 3.9518 10.1231 10.1231 11.2963 11.2963 11.3969 11.3969 12.1030 12.1030 12.2369 12.2369 12.6604 12.6604 15.5048 15.5048 15.9888 15.9888 16.0231 16.0231 16.1760 16.1760 18.6832 18.6832 19.0550 19.0550 k = 0.3649 0.5335 0.3536 ( 2110 PWs) bands (ev): -51.7798 -51.7798 -51.7773 -51.7773 -24.7304 -24.7304 -24.7220 -24.7220 -16.2326 -16.2326 -16.2151 -16.2151 -16.0043 -16.0043 -15.9492 -15.9492 3.9973 3.9973 4.0326 4.0326 9.9921 9.9921 11.2439 11.2439 11.3065 11.3065 12.0193 12.0193 12.2349 12.2349 12.5723 12.5723 15.5144 15.5144 16.0801 16.0801 16.0888 16.0888 16.2555 16.2555 18.6800 18.6800 19.0545 19.0545 k = 0.3597 0.5461 0.3672 ( 2098 PWs) bands (ev): -51.7796 -51.7796 -51.7769 -51.7769 -24.7318 -24.7318 -24.7228 -24.7228 -16.2386 -16.2386 -16.2214 -16.2214 -16.0051 -16.0051 -15.9471 -15.9471 4.0741 4.0741 4.1155 4.1155 9.8599 9.8599 11.1825 11.1825 11.2182 11.2182 11.9389 11.9389 12.2386 12.2386 12.4887 12.4887 15.5220 15.5220 16.1444 16.1444 16.1800 16.1800 16.3515 16.3515 18.6787 18.6787 19.0531 19.0531 k = 0.3545 0.5586 0.3808 ( 2096 PWs) bands (ev): -51.7794 -51.7794 -51.7765 -51.7765 -24.7334 -24.7334 -24.7236 -24.7236 -16.2447 -16.2447 -16.2278 -16.2278 -16.0059 -16.0059 -15.9450 -15.9450 4.1519 4.1519 4.2005 4.2005 9.7272 9.7272 11.0865 11.0865 11.1590 11.1590 11.8618 11.8618 12.2454 12.2454 12.4109 12.4109 15.5280 15.5280 16.1942 16.1942 16.2874 16.2874 16.4596 16.4596 18.6793 18.6793 19.0506 19.0506 k = 0.3493 0.5712 0.3944 ( 2100 PWs) bands (ev): -51.7793 -51.7793 -51.7762 -51.7762 -24.7350 -24.7350 -24.7245 -24.7245 -16.2508 -16.2508 -16.2342 -16.2342 -16.0067 -16.0067 -15.9430 -15.9430 4.2304 4.2304 4.2874 4.2874 9.5946 9.5946 10.9751 10.9751 11.1114 11.1114 11.7882 11.7882 12.2484 12.2484 12.3448 12.3448 15.5323 15.5323 16.2408 16.2408 16.4022 16.4022 16.5762 16.5762 18.6819 18.6819 19.0471 19.0471 k = 0.3441 0.5838 0.4080 ( 2098 PWs) bands (ev): -51.7791 -51.7791 -51.7758 -51.7758 -24.7366 -24.7366 -24.7253 -24.7253 -16.2565 -16.2565 -16.2405 -16.2405 -16.0075 -16.0075 -15.9409 -15.9409 4.3095 4.3095 4.3760 4.3760 9.4627 9.4627 10.8581 10.8581 11.0666 11.0666 11.7182 11.7182 12.2227 12.2227 12.3148 12.3148 15.5350 15.5350 16.2858 16.2858 16.5238 16.5238 16.6992 16.6992 18.6864 18.6864 19.0426 19.0426 k = 0.3389 0.5963 0.4216 ( 2096 PWs) bands (ev): -51.7790 -51.7790 -51.7755 -51.7755 -24.7381 -24.7381 -24.7260 -24.7260 -16.2621 -16.2621 -16.2466 -16.2466 -16.0083 -16.0083 -15.9388 -15.9388 4.3886 4.3886 4.4663 4.4663 9.3321 9.3321 10.7377 10.7377 11.0236 11.0236 11.6519 11.6519 12.1656 12.1656 12.3228 12.3228 15.5361 15.5361 16.3301 16.3301 16.6519 16.6519 16.8270 16.8270 18.6929 18.6929 19.0371 19.0371 k = 0.3337 0.6089 0.4352 ( 2088 PWs) bands (ev): -51.7788 -51.7788 -51.7751 -51.7751 -24.7395 -24.7395 -24.7267 -24.7267 -16.2674 -16.2674 -16.2526 -16.2526 -16.0091 -16.0091 -15.9366 -15.9366 4.4674 4.4674 4.5581 4.5581 9.2035 9.2035 10.6149 10.6149 10.9822 10.9822 11.5893 11.5893 12.1032 12.1032 12.3425 12.3425 15.5355 15.5355 16.3739 16.3739 16.7859 16.7859 16.9589 16.9589 18.7011 18.7011 19.0309 19.0309 k = 0.3285 0.6215 0.4488 ( 2092 PWs) bands (ev): -51.7787 -51.7787 -51.7748 -51.7748 -24.7411 -24.7411 -24.7274 -24.7274 -16.2726 -16.2726 -16.2584 -16.2584 -16.0100 -16.0100 -15.9345 -15.9345 4.5455 4.5455 4.6510 4.6510 9.0775 9.0775 10.4907 10.4907 10.9423 10.9423 11.5303 11.5303 12.0423 12.0423 12.3668 12.3668 15.5331 15.5331 16.4175 16.4175 16.9254 16.9254 17.0939 17.0939 18.7108 18.7108 19.0239 19.0239 k = 0.3233 0.6340 0.4624 ( 2092 PWs) bands (ev): -51.7786 -51.7786 -51.7745 -51.7745 -24.7425 -24.7425 -24.7280 -24.7280 -16.2775 -16.2775 -16.2640 -16.2640 -16.0109 -16.0109 -15.9324 -15.9324 4.6222 4.6222 4.7451 4.7451 8.9548 8.9548 10.3659 10.3659 10.9039 10.9039 11.4751 11.4751 11.9844 11.9844 12.3940 12.3940 15.5290 15.5290 16.4608 16.4608 17.0698 17.0698 17.2313 17.2313 18.7217 18.7217 19.0165 19.0165 k = 0.3181 0.6466 0.4760 ( 2095 PWs) bands (ev): -51.7785 -51.7785 -51.7742 -51.7742 -24.7439 -24.7439 -24.7286 -24.7286 -16.2822 -16.2822 -16.2694 -16.2694 -16.0118 -16.0118 -15.9303 -15.9303 4.6970 4.6970 4.8399 4.8399 8.8362 8.8362 10.2410 10.2410 10.8670 10.8670 11.4237 11.4237 11.9299 11.9299 12.4236 12.4236 15.5229 15.5229 16.5038 16.5038 17.2186 17.2186 17.3704 17.3704 18.7332 18.7332 19.0091 19.0091 k = 0.3129 0.6592 0.4896 ( 2091 PWs) bands (ev): -51.7784 -51.7784 -51.7739 -51.7739 -24.7452 -24.7452 -24.7292 -24.7292 -16.2866 -16.2866 -16.2745 -16.2745 -16.0127 -16.0127 -15.9281 -15.9281 4.7692 4.7692 4.9353 4.9353 8.7224 8.7224 10.1167 10.1167 10.8316 10.8316 11.3760 11.3760 11.8790 11.8790 12.4550 12.4550 15.5150 15.5150 16.5465 16.5465 17.3713 17.3713 17.5103 17.5103 18.7446 18.7446 19.0024 19.0024 k = 0.3077 0.6717 0.5032 ( 2091 PWs) bands (ev): -51.7783 -51.7783 -51.7736 -51.7736 -24.7465 -24.7465 -24.7296 -24.7296 -16.2906 -16.2906 -16.2794 -16.2794 -16.0136 -16.0136 -15.9260 -15.9260 4.8379 4.8379 5.0309 5.0309 8.6142 8.6142 9.9935 9.9935 10.7978 10.7978 11.3321 11.3321 11.8319 11.8319 12.4884 12.4884 15.5051 15.5051 16.5888 16.5888 17.5271 17.5271 17.6501 17.6501 18.7549 18.7549 18.9970 18.9970 k = 0.3025 0.6843 0.5168 ( 2091 PWs) bands (ev): -51.7783 -51.7783 -51.7733 -51.7733 -24.7477 -24.7477 -24.7300 -24.7300 -16.2943 -16.2943 -16.2839 -16.2839 -16.0146 -16.0146 -15.9240 -15.9240 4.9024 4.9024 5.1265 5.1265 8.5128 8.5128 9.8722 9.8722 10.7655 10.7655 11.2920 11.2920 11.7886 11.7886 12.5234 12.5234 15.4932 15.4932 16.6305 16.6305 17.6853 17.6853 17.7886 17.7886 18.7627 18.7627 18.9941 18.9941 k = 0.2973 0.6969 0.5304 ( 2095 PWs) bands (ev): -51.7783 -51.7783 -51.7730 -51.7730 -24.7489 -24.7489 -24.7304 -24.7304 -16.2978 -16.2978 -16.2882 -16.2882 -16.0157 -16.0157 -15.9220 -15.9220 4.9615 4.9615 5.2215 5.2215 8.4191 8.4191 9.7532 9.7532 10.7349 10.7349 11.2557 11.2557 11.7491 11.7491 12.5602 12.5602 15.4793 15.4793 16.6715 16.6715 17.8450 17.8450 17.9245 17.9245 18.7667 18.7667 18.9948 18.9948 k = 0.2922 0.7094 0.5440 ( 2093 PWs) bands (ev): -51.7782 -51.7782 -51.7727 -51.7727 -24.7500 -24.7500 -24.7307 -24.7307 -16.3008 -16.3008 -16.2921 -16.2921 -16.0167 -16.0167 -15.9199 -15.9199 5.0143 5.0143 5.3156 5.3156 8.3342 8.3342 9.6372 9.6372 10.7059 10.7059 11.2233 11.2233 11.7134 11.7134 12.5985 12.5985 15.4633 15.4633 16.7118 16.7118 18.0046 18.0046 18.0565 18.0565 18.7657 18.7657 18.9996 18.9996 k = 0.2870 0.7220 0.5576 ( 2093 PWs) bands (ev): -51.7782 -51.7782 -51.7725 -51.7725 -24.7510 -24.7510 -24.7308 -24.7308 -16.3034 -16.3034 -16.2956 -16.2956 -16.0179 -16.0179 -15.9179 -15.9179 5.0596 5.0596 5.4082 5.4082 8.2593 8.2593 9.5249 9.5249 10.6787 10.6787 11.1947 11.1947 11.6816 11.6816 12.6385 12.6385 15.4454 15.4454 16.7512 16.7512 18.1612 18.1612 18.1841 18.1841 18.7596 18.7596 19.0086 19.0086 k = 0.2818 0.7346 0.5712 ( 2093 PWs) bands (ev): -51.7782 -51.7782 -51.7723 -51.7723 -24.7520 -24.7520 -24.7309 -24.7309 -16.3057 -16.3057 -16.2988 -16.2988 -16.0191 -16.0191 -15.9159 -15.9159 5.0962 5.0962 5.4987 5.4987 8.1955 8.1955 9.4169 9.4169 10.6532 10.6532 11.1699 11.1699 11.6537 11.6537 12.6801 12.6801 15.4254 15.4254 16.7895 16.7895 18.2946 18.2946 18.3227 18.3227 18.7489 18.7489 19.0210 19.0210 k = 0.2766 0.7471 0.5848 ( 2101 PWs) bands (ev): -51.7783 -51.7783 -51.7721 -51.7721 -24.7530 -24.7530 -24.7310 -24.7310 -16.3076 -16.3076 -16.3016 -16.3016 -16.0204 -16.0204 -15.9140 -15.9140 5.1231 5.1231 5.5864 5.5864 8.1440 8.1440 9.3142 9.3142 10.6295 10.6295 11.1490 11.1490 11.6297 11.6297 12.7232 12.7232 15.4036 15.4036 16.8267 16.8267 18.4021 18.4021 18.4678 18.4678 18.7361 18.7361 19.0358 19.0358 k = 0.2714 0.7597 0.5984 ( 2109 PWs) bands (ev): -51.7784 -51.7784 -51.7719 -51.7719 -24.7539 -24.7539 -24.7310 -24.7310 -16.3092 -16.3092 -16.3040 -16.3040 -16.0218 -16.0218 -15.9122 -15.9122 5.1393 5.1393 5.6704 5.6704 8.1056 8.1056 9.2176 9.2176 10.6076 10.6076 11.1319 11.1319 11.6096 11.6096 12.7680 12.7680 15.3799 15.3799 16.8625 16.8625 18.4946 18.4946 18.5922 18.5922 18.7307 18.7307 19.0532 19.0532 k = 0.2714 0.7597 0.5984 ( 2109 PWs) bands (ev): -51.7784 -51.7784 -51.7719 -51.7719 -24.7539 -24.7539 -24.7310 -24.7310 -16.3092 -16.3092 -16.3040 -16.3040 -16.0218 -16.0218 -15.9122 -15.9122 5.1393 5.1393 5.6704 5.6704 8.1056 8.1056 9.2176 9.2176 10.6076 10.6076 11.1319 11.1319 11.6096 11.6096 12.7680 12.7680 15.3799 15.3799 16.8625 16.8625 18.4946 18.4946 18.5922 18.5922 18.7307 18.7307 19.0532 19.0532 k = 0.2533 0.7563 0.6021 ( 2106 PWs) bands (ev): -51.7784 -51.7784 -51.7718 -51.7718 -24.7541 -24.7541 -24.7309 -24.7309 -16.3096 -16.3096 -16.3046 -16.3046 -16.0222 -16.0222 -15.9116 -15.9116 5.1407 5.1407 5.6938 5.6938 8.0990 8.0990 9.1901 9.1901 10.6011 10.6011 11.1280 11.1280 11.6047 11.6047 12.7832 12.7832 15.3732 15.3732 16.8728 16.8728 18.5149 18.5149 18.6147 18.6147 18.7338 18.7338 19.0474 19.0474 k = 0.2352 0.7528 0.6058 ( 2100 PWs) bands (ev): -51.7784 -51.7784 -51.7717 -51.7717 -24.7543 -24.7543 -24.7308 -24.7308 -16.3099 -16.3099 -16.3050 -16.3050 -16.0226 -16.0226 -15.9110 -15.9110 5.1396 5.1396 5.7187 5.7187 8.0968 8.0968 9.1586 9.1586 10.5932 10.5932 11.1244 11.1244 11.5999 11.5999 12.8033 12.8033 15.3670 15.3670 16.8841 16.8841 18.5289 18.5289 18.6240 18.6240 18.7418 18.7418 19.0206 19.0206 k = 0.2171 0.7494 0.6096 ( 2100 PWs) bands (ev): -51.7784 -51.7784 -51.7717 -51.7717 -24.7545 -24.7545 -24.7308 -24.7308 -16.3102 -16.3102 -16.3055 -16.3055 -16.0230 -16.0230 -15.9103 -15.9103 5.1367 5.1367 5.7440 5.7440 8.0989 8.0989 9.1236 9.1236 10.5843 10.5843 11.1211 11.1211 11.5954 11.5954 12.8275 12.8275 15.3614 15.3614 16.8964 16.8964 18.5338 18.5338 18.6204 18.6204 18.7564 18.7564 18.9787 18.9787 k = 0.1990 0.7459 0.6133 ( 2096 PWs) bands (ev): -51.7785 -51.7785 -51.7716 -51.7716 -24.7547 -24.7547 -24.7306 -24.7306 -16.3104 -16.3104 -16.3060 -16.3060 -16.0235 -16.0235 -15.9096 -15.9096 5.1327 5.1327 5.7692 5.7692 8.1054 8.1054 9.0852 9.0852 10.5747 10.5747 11.1182 11.1182 11.5911 11.5911 12.8550 12.8550 15.3565 15.3565 16.9094 16.9094 18.5229 18.5229 18.6131 18.6131 18.7741 18.7741 18.9310 18.9310 k = 0.1809 0.7425 0.6170 ( 2098 PWs) bands (ev): -51.7785 -51.7785 -51.7715 -51.7715 -24.7548 -24.7548 -24.7306 -24.7306 -16.3107 -16.3107 -16.3064 -16.3064 -16.0241 -16.0241 -15.9091 -15.9091 5.1278 5.1278 5.7936 5.7936 8.1164 8.1164 9.0439 9.0439 10.5647 10.5647 11.1156 11.1156 11.5870 11.5870 12.8849 12.8849 15.3524 15.3524 16.9228 16.9228 18.4906 18.4906 18.6110 18.6110 18.7891 18.7891 18.8877 18.8877 k = 0.1628 0.7390 0.6207 ( 2098 PWs) bands (ev): -51.7786 -51.7786 -51.7714 -51.7714 -24.7551 -24.7551 -24.7305 -24.7305 -16.3109 -16.3109 -16.3068 -16.3068 -16.0247 -16.0247 -15.9084 -15.9084 5.1227 5.1227 5.8166 5.8166 8.1316 8.1316 9.0000 9.0000 10.5548 10.5548 11.1133 11.1133 11.5832 11.5832 12.9161 12.9161 15.3492 15.3492 16.9364 16.9364 18.4410 18.4410 18.6136 18.6136 18.7909 18.7909 18.8622 18.8622 k = 0.1447 0.7356 0.6245 ( 2097 PWs) bands (ev): -51.7786 -51.7786 -51.7714 -51.7714 -24.7553 -24.7553 -24.7304 -24.7304 -16.3110 -16.3110 -16.3072 -16.3072 -16.0252 -16.0252 -15.9077 -15.9077 5.1174 5.1174 5.8379 5.8379 8.1508 8.1508 8.9541 8.9541 10.5451 10.5451 11.1113 11.1113 11.5797 11.5797 12.9475 12.9475 15.3470 15.3470 16.9498 16.9498 18.3815 18.3815 18.6180 18.6180 18.7723 18.7723 18.8622 18.8622 k = 0.1266 0.7321 0.6282 ( 2099 PWs) bands (ev): -51.7786 -51.7786 -51.7713 -51.7713 -24.7555 -24.7555 -24.7303 -24.7303 -16.3112 -16.3112 -16.3075 -16.3075 -16.0257 -16.0257 -15.9071 -15.9071 5.1124 5.1124 5.8572 5.8572 8.1739 8.1739 8.9068 8.9068 10.5361 10.5361 11.1096 11.1096 11.5765 11.5765 12.9783 12.9783 15.3456 15.3456 16.9627 16.9627 18.3180 18.3180 18.6226 18.6226 18.7471 18.7471 18.8732 18.8732 k = 0.1085 0.7287 0.6319 ( 2100 PWs) bands (ev): -51.7787 -51.7787 -51.7713 -51.7713 -24.7557 -24.7557 -24.7302 -24.7302 -16.3113 -16.3113 -16.3079 -16.3079 -16.0262 -16.0262 -15.9066 -15.9066 5.1077 5.1077 5.8743 5.8743 8.2002 8.2002 8.8589 8.8589 10.5278 10.5278 11.1081 11.1081 11.5737 11.5737 13.0073 13.0073 15.3450 15.3450 16.9749 16.9749 18.2555 18.2555 18.6269 18.6269 18.7235 18.7235 18.8857 18.8857 k = 0.0905 0.7252 0.6357 ( 2097 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7559 -24.7559 -24.7301 -24.7301 -16.3114 -16.3114 -16.3082 -16.3082 -16.0265 -16.0265 -15.9060 -15.9060 5.1036 5.1036 5.8889 5.8889 8.2290 8.2290 8.8114 8.8114 10.5206 10.5206 11.1069 11.1069 11.5713 11.5713 13.0336 13.0336 15.3450 15.3450 16.9859 16.9859 18.1974 18.1974 18.6307 18.6307 18.7032 18.7032 18.8972 18.8972 k = 0.0724 0.7218 0.6394 ( 2098 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7560 -24.7560 -24.7300 -24.7300 -16.3114 -16.3114 -16.3084 -16.3084 -16.0269 -16.0269 -15.9056 -15.9056 5.1000 5.1000 5.9010 5.9010 8.2592 8.2592 8.7656 8.7656 10.5145 10.5145 11.1059 11.1059 11.5693 11.5693 13.0564 13.0564 15.3453 15.3453 16.9954 16.9954 18.1467 18.1467 18.6340 18.6340 18.6862 18.6862 18.9070 18.9070 k = 0.0543 0.7184 0.6431 ( 2094 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7561 -24.7561 -24.7299 -24.7299 -16.3114 -16.3114 -16.3086 -16.3086 -16.0272 -16.0272 -15.9052 -15.9052 5.0972 5.0972 5.9104 5.9104 8.2891 8.2891 8.7234 8.7234 10.5096 10.5096 11.1052 11.1052 11.5677 11.5677 13.0749 13.0749 15.3459 15.3459 17.0032 17.0032 18.1052 18.1052 18.6367 18.6367 18.6728 18.6728 18.9147 18.9147 k = 0.0362 0.7149 0.6468 ( 2098 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7563 -24.7563 -24.7298 -24.7298 -16.3115 -16.3115 -16.3088 -16.3088 -16.0275 -16.0275 -15.9050 -15.9050 5.0952 5.0952 5.9172 5.9172 8.3158 8.3158 8.6878 8.6878 10.5061 10.5061 11.1047 11.1047 11.5666 11.5666 13.0886 13.0886 15.3465 15.3465 17.0090 17.0090 18.0745 18.0745 18.6390 18.6390 18.6628 18.6628 18.9202 18.9202 k = 0.0181 0.7115 0.6506 ( 2100 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7564 -24.7564 -24.7298 -24.7298 -16.3115 -16.3115 -16.3089 -16.3089 -16.0276 -16.0276 -15.9048 -15.9048 5.0939 5.0939 5.9213 5.9213 8.3352 8.3352 8.6630 8.6630 10.5040 10.5040 11.1043 11.1043 11.5659 11.5659 13.0970 13.0970 15.3469 15.3469 17.0125 17.0125 18.0557 18.0557 18.6407 18.6407 18.6564 18.6564 18.9236 18.9236 k = 0.0000 0.7080 0.6543 ( 2100 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7564 -24.7564 -24.7298 -24.7298 -16.3115 -16.3115 -16.3089 -16.3089 -16.0276 -16.0276 -15.9048 -15.9048 5.0935 5.0935 5.9227 5.9227 8.3425 8.3425 8.6539 8.6539 10.5032 10.5032 11.1042 11.1042 11.5656 11.5656 13.0998 13.0998 15.3471 15.3471 17.0137 17.0137 18.0494 18.0494 18.6415 18.6415 18.6541 18.6541 18.9247 18.9247 k = 0.0000 0.7080 0.6543 ( 2100 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7564 -24.7564 -24.7298 -24.7298 -16.3115 -16.3115 -16.3089 -16.3089 -16.0276 -16.0276 -15.9048 -15.9048 5.0935 5.0935 5.9227 5.9227 8.3425 8.3425 8.6539 8.6539 10.5032 10.5032 11.1042 11.1042 11.5656 11.5656 13.0998 13.0998 15.3471 15.3471 17.0137 17.0137 18.0494 18.0494 18.6415 18.6415 18.6541 18.6541 18.9247 18.9247 k = 0.0052 0.6954 0.6679 ( 2100 PWs) bands (ev): -51.7787 -51.7787 -51.7712 -51.7712 -24.7564 -24.7564 -24.7298 -24.7298 -16.3116 -16.3116 -16.3089 -16.3089 -16.0277 -16.0277 -15.9049 -15.9049 5.0926 5.0926 5.9211 5.9211 8.3446 8.3446 8.6564 8.6564 10.5044 10.5044 11.1054 11.1054 11.5664 11.5664 13.1017 13.1017 15.3453 15.3453 17.0062 17.0062 18.0543 18.0543 18.6155 18.6155 18.6782 18.6782 18.9250 18.9250 k = 0.0104 0.6828 0.6816 ( 2094 PWs) bands (ev): -51.7787 -51.7787 -51.7711 -51.7711 -24.7564 -24.7564 -24.7299 -24.7299 -16.3117 -16.3117 -16.3090 -16.3090 -16.0279 -16.0279 -15.9053 -15.9053 5.0899 5.0899 5.9166 5.9166 8.3509 8.3509 8.6638 8.6638 10.5077 10.5077 11.1090 11.1090 11.5687 11.5687 13.1074 13.1074 15.3399 15.3399 16.9842 16.9842 18.0685 18.0685 18.5826 18.5826 18.7055 18.7055 18.9259 18.9259 k = 0.0156 0.6702 0.6952 ( 2094 PWs) bands (ev): -51.7786 -51.7786 -51.7711 -51.7711 -24.7565 -24.7565 -24.7301 -24.7301 -16.3120 -16.3120 -16.3091 -16.3091 -16.0283 -16.0283 -15.9060 -15.9060 5.0855 5.0855 5.9090 5.9090 8.3615 8.3615 8.6762 8.6762 10.5133 10.5133 11.1149 11.1149 11.5726 11.5726 13.1167 13.1167 15.3310 15.3310 16.9491 16.9491 18.0900 18.0900 18.5488 18.5488 18.7309 18.7309 18.9273 18.9273 k = 0.0208 0.6576 0.7088 ( 2094 PWs) bands (ev): -51.7786 -51.7786 -51.7710 -51.7710 -24.7567 -24.7567 -24.7304 -24.7304 -16.3124 -16.3124 -16.3093 -16.3093 -16.0289 -16.0289 -15.9069 -15.9069 5.0794 5.0794 5.8983 5.8983 8.3764 8.3764 8.6934 8.6934 10.5211 10.5211 11.1231 11.1231 11.5780 11.5780 13.1297 13.1297 15.3186 15.3186 16.9028 16.9028 18.1161 18.1161 18.5154 18.5154 18.7545 18.7545 18.9293 18.9293 k = 0.0260 0.6450 0.7225 ( 2096 PWs) bands (ev): -51.7785 -51.7785 -51.7710 -51.7710 -24.7569 -24.7569 -24.7307 -24.7307 -16.3130 -16.3130 -16.3096 -16.3096 -16.0296 -16.0296 -15.9081 -15.9081 5.0716 5.0716 5.8847 5.8847 8.3956 8.3956 8.7155 8.7155 10.5312 10.5312 11.1336 11.1336 11.5849 11.5849 13.1463 13.1463 15.3027 15.3027 16.8475 16.8475 18.1432 18.1432 18.4845 18.4845 18.7764 18.7764 18.9320 18.9320 k = 0.0312 0.6324 0.7361 ( 2100 PWs) bands (ev): -51.7784 -51.7784 -51.7710 -51.7710 -24.7572 -24.7572 -24.7312 -24.7312 -16.3137 -16.3137 -16.3099 -16.3099 -16.0305 -16.0305 -15.9095 -15.9095 5.0621 5.0621 5.8682 5.8682 8.4192 8.4192 8.7424 8.7424 10.5435 10.5435 11.1463 11.1463 11.5933 11.5933 13.1664 13.1664 15.2834 15.2834 16.7850 16.7850 18.1666 18.1666 18.4591 18.4591 18.7969 18.7969 18.9353 18.9353 k = 0.0365 0.6198 0.7497 ( 2096 PWs) bands (ev): -51.7782 -51.7782 -51.7709 -51.7709 -24.7575 -24.7575 -24.7317 -24.7317 -16.3145 -16.3145 -16.3103 -16.3103 -16.0314 -16.0314 -15.9111 -15.9111 5.0510 5.0510 5.8488 5.8488 8.4472 8.4472 8.7740 8.7740 10.5582 10.5582 11.1612 11.1612 11.6031 11.6031 13.1899 13.1899 15.2609 15.2609 16.7168 16.7168 18.1806 18.1806 18.4435 18.4435 18.8165 18.8165 18.9392 18.9392 k = 0.0417 0.6072 0.7633 ( 2096 PWs) bands (ev): -51.7781 -51.7781 -51.7708 -51.7708 -24.7579 -24.7579 -24.7322 -24.7322 -16.3154 -16.3154 -16.3108 -16.3108 -16.0324 -16.0324 -15.9130 -15.9130 5.0384 5.0384 5.8266 5.8266 8.4797 8.4797 8.8103 8.8103 10.5752 10.5752 11.1781 11.1781 11.6143 11.6143 13.2166 13.2166 15.2351 15.2351 16.6443 16.6443 18.1799 18.1799 18.4416 18.4416 18.8352 18.8352 18.9438 18.9438 k = 0.0469 0.5946 0.7770 ( 2094 PWs) bands (ev): -51.7779 -51.7779 -51.7707 -51.7707 -24.7583 -24.7583 -24.7329 -24.7329 -16.3164 -16.3164 -16.3114 -16.3114 -16.0335 -16.0335 -15.9150 -15.9150 5.0244 5.0244 5.8018 5.8018 8.5167 8.5167 8.8512 8.8512 10.5946 10.5946 11.1971 11.1971 11.6268 11.6268 13.2463 13.2463 15.2064 15.2064 16.5685 16.5685 18.1637 18.1637 18.4530 18.4530 18.8533 18.8533 18.9489 18.9489 k = 0.0521 0.5820 0.7906 ( 2094 PWs) bands (ev): -51.7777 -51.7777 -51.7706 -51.7706 -24.7587 -24.7587 -24.7336 -24.7336 -16.3176 -16.3176 -16.3121 -16.3121 -16.0348 -16.0348 -15.9173 -15.9173 5.0089 5.0089 5.7744 5.7744 8.5583 8.5583 8.8965 8.8965 10.6163 10.6163 11.2180 11.2180 11.6407 11.6407 13.2790 13.2790 15.1748 15.1748 16.4904 16.4904 18.1353 18.1353 18.4732 18.4732 18.8710 18.8710 18.9545 18.9545 k = 0.0573 0.5695 0.8042 ( 2092 PWs) bands (ev): -51.7775 -51.7775 -51.7704 -51.7704 -24.7591 -24.7591 -24.7344 -24.7344 -16.3188 -16.3188 -16.3129 -16.3129 -16.0360 -16.0360 -15.9198 -15.9198 4.9922 4.9922 5.7445 5.7445 8.6044 8.6044 8.9462 8.9462 10.6405 10.6405 11.2407 11.2407 11.6558 11.6558 13.3143 13.3143 15.1404 15.1404 16.4105 16.4105 18.0984 18.0984 18.4967 18.4967 18.8880 18.8880 18.9605 18.9605 k = 0.0625 0.5569 0.8179 ( 2096 PWs) bands (ev): -51.7773 -51.7773 -51.7703 -51.7703 -24.7597 -24.7597 -24.7353 -24.7353 -16.3202 -16.3202 -16.3139 -16.3139 -16.0373 -16.0373 -15.9224 -15.9224 4.9743 4.9743 5.7124 5.7124 8.6551 8.6551 9.0002 9.0002 10.6671 10.6671 11.2652 11.2652 11.6721 11.6721 13.3521 13.3521 15.1036 15.1036 16.3296 16.3296 18.0553 18.0553 18.5198 18.5198 18.9043 18.9043 18.9666 18.9666 k = 0.0677 0.5443 0.8315 ( 2098 PWs) bands (ev): -51.7771 -51.7771 -51.7702 -51.7702 -24.7603 -24.7603 -24.7362 -24.7362 -16.3218 -16.3218 -16.3150 -16.3150 -16.0387 -16.0387 -15.9252 -15.9252 4.9554 4.9554 5.6782 5.6782 8.7102 8.7102 9.0582 9.0582 10.6962 10.6962 11.2914 11.2914 11.6894 11.6894 13.3921 13.3921 15.0646 15.0646 16.2481 16.2481 18.0071 18.0071 18.5396 18.5396 18.9190 18.9190 18.9724 18.9724 k = 0.0729 0.5317 0.8451 ( 2096 PWs) bands (ev): -51.7768 -51.7768 -51.7700 -51.7700 -24.7609 -24.7609 -24.7371 -24.7371 -16.3234 -16.3234 -16.3161 -16.3161 -16.0400 -16.0400 -15.9280 -15.9280 4.9354 4.9354 5.6420 5.6420 8.7698 8.7698 9.1203 9.1203 10.7278 10.7278 11.3193 11.3193 11.7079 11.7079 13.4340 13.4340 15.0235 15.0235 16.1663 16.1663 17.9537 17.9537 18.5542 18.5542 18.9298 18.9298 18.9775 18.9775 k = 0.0781 0.5191 0.8588 ( 2094 PWs) bands (ev): -51.7766 -51.7766 -51.7699 -51.7699 -24.7615 -24.7615 -24.7381 -24.7381 -16.3251 -16.3251 -16.3174 -16.3174 -16.0414 -16.0414 -15.9310 -15.9310 4.9146 4.9146 5.6041 5.6041 8.8338 8.8338 9.1862 9.1862 10.7619 10.7619 11.3487 11.3487 11.7274 11.7274 13.4776 13.4776 14.9807 14.9807 16.0848 16.0848 17.8949 17.8949 18.5621 18.5621 18.9310 18.9310 18.9822 18.9822 k = 0.0833 0.5065 0.8724 ( 2090 PWs) bands (ev): -51.7763 -51.7763 -51.7697 -51.7697 -24.7621 -24.7621 -24.7391 -24.7391 -16.3270 -16.3270 -16.3188 -16.3188 -16.0426 -16.0426 -15.9340 -15.9340 4.8930 4.8930 5.5646 5.5646 8.9021 8.9021 9.2558 9.2558 10.7984 10.7984 11.3796 11.3796 11.7479 11.7479 13.5225 13.5225 14.9365 14.9365 16.0038 16.0038 17.8303 17.8303 18.5622 18.5622 18.9138 18.9138 18.9893 18.9893 k = 0.0885 0.4939 0.8860 ( 2098 PWs) bands (ev): -51.7760 -51.7760 -51.7696 -51.7696 -24.7628 -24.7628 -24.7402 -24.7402 -16.3291 -16.3291 -16.3204 -16.3204 -16.0439 -16.0439 -15.9373 -15.9373 4.8707 4.8707 5.5237 5.5237 8.9745 8.9745 9.3288 9.3288 10.8375 10.8375 11.4121 11.4121 11.7691 11.7691 13.5684 13.5684 14.8912 14.8912 15.9236 15.9236 17.7593 17.7593 18.5538 18.5538 18.8803 18.8803 18.9990 18.9990 k = 0.0938 0.4813 0.8997 ( 2100 PWs) bands (ev): -51.7757 -51.7757 -51.7694 -51.7694 -24.7635 -24.7635 -24.7414 -24.7414 -16.3312 -16.3312 -16.3222 -16.3222 -16.0451 -16.0451 -15.9405 -15.9405 4.8480 4.8480 5.4817 5.4817 9.0509 9.0509 9.4051 9.4051 10.8791 10.8791 11.4459 11.4459 11.7913 11.7913 13.6148 13.6148 14.8453 14.8453 15.8444 15.8444 17.6819 17.6819 18.5371 18.5371 18.8408 18.8408 19.0097 19.0097 k = 0.0990 0.4687 0.9133 ( 2102 PWs) bands (ev): -51.7754 -51.7754 -51.7693 -51.7693 -24.7643 -24.7643 -24.7426 -24.7426 -16.3335 -16.3335 -16.3240 -16.3240 -16.0461 -16.0461 -15.9438 -15.9438 4.8248 4.8248 5.4387 5.4387 9.1311 9.1311 9.4846 9.4846 10.9231 10.9231 11.4812 11.4812 11.8141 11.8141 13.6612 13.6612 14.7991 14.7991 15.7665 15.7665 17.5983 17.5983 18.5125 18.5125 18.8014 18.8014 19.0206 19.0206 k = 0.1042 0.4561 0.9269 ( 2094 PWs) bands (ev): -51.7751 -51.7751 -51.7691 -51.7691 -24.7649 -24.7649 -24.7438 -24.7438 -16.3357 -16.3357 -16.3259 -16.3259 -16.0470 -16.0470 -15.9471 -15.9471 4.8014 4.8014 5.3950 5.3950 9.2150 9.2150 9.5669 9.5669 10.9694 10.9694 11.5178 11.5178 11.8377 11.8377 13.7069 13.7069 14.7532 14.7532 15.6902 15.6902 17.5092 17.5092 18.4808 18.4808 18.7644 18.7644 19.0313 19.0313 k = 0.1094 0.4435 0.9405 ( 2098 PWs) bands (ev): -51.7748 -51.7748 -51.7689 -51.7689 -24.7656 -24.7656 -24.7451 -24.7451 -16.3382 -16.3382 -16.3281 -16.3281 -16.0479 -16.0479 -15.9504 -15.9504 4.7778 4.7778 5.3507 5.3507 9.3023 9.3023 9.6519 9.6519 11.0180 11.0180 11.5559 11.5559 11.8619 11.8619 13.7513 13.7513 14.7082 14.7082 15.6155 15.6155 17.4154 17.4154 18.4423 18.4423 18.7309 18.7309 19.0416 19.0416 k = 0.1146 0.4309 0.9542 ( 2102 PWs) bands (ev): -51.7744 -51.7744 -51.7688 -51.7688 -24.7664 -24.7664 -24.7464 -24.7464 -16.3408 -16.3408 -16.3303 -16.3303 -16.0486 -16.0486 -15.9537 -15.9537 4.7542 4.7542 5.3060 5.3060 9.3928 9.3928 9.7393 9.7393 11.0686 11.0686 11.5953 11.5953 11.8867 11.8867 13.7933 13.7933 14.6649 14.6649 15.5427 15.5427 17.3181 17.3181 18.3968 18.3968 18.7013 18.7013 19.0512 19.0512 k = 0.1198 0.4183 0.9678 ( 2102 PWs) bands (ev): -51.7741 -51.7741 -51.7686 -51.7686 -24.7671 -24.7671 -24.7476 -24.7476 -16.3435 -16.3435 -16.3327 -16.3327 -16.0491 -16.0491 -15.9570 -15.9570 4.7307 4.7307 5.2612 5.2612 9.4863 9.4863 9.8289 9.8289 11.1213 11.1213 11.6363 11.6363 11.9119 11.9119 13.8317 13.8317 14.6244 14.6244 15.4720 15.4720 17.2186 17.2186 18.3442 18.3442 18.6762 18.6762 19.0599 19.0599 k = 0.1250 0.4057 0.9814 ( 2102 PWs) bands (ev): -51.7738 -51.7738 -51.7685 -51.7685 -24.7678 -24.7678 -24.7490 -24.7490 -16.3462 -16.3462 -16.3351 -16.3351 -16.0495 -16.0495 -15.9603 -15.9603 4.7074 4.7074 5.2163 5.2163 9.5823 9.5823 9.9205 9.9205 11.1755 11.1755 11.6788 11.6788 11.9377 11.9377 13.8650 13.8650 14.5880 14.5880 15.4036 15.4036 17.1181 17.1181 18.2846 18.2846 18.6558 18.6558 19.0675 19.0675 k = 0.1302 0.3931 0.9951 ( 2100 PWs) bands (ev): -51.7734 -51.7734 -51.7683 -51.7683 -24.7685 -24.7685 -24.7503 -24.7503 -16.3490 -16.3490 -16.3376 -16.3376 -16.0497 -16.0497 -15.9634 -15.9634 4.6844 4.6844 5.1717 5.1717 9.6806 9.6806 10.0139 10.0139 11.2312 11.2312 11.7229 11.7229 11.9639 11.9639 13.8912 13.8912 14.5573 14.5573 15.3375 15.3375 17.0179 17.0179 18.2182 18.2182 18.6399 18.6399 19.0736 19.0736 k = 0.1354 0.3805 1.0087 ( 2102 PWs) bands (ev): -51.7731 -51.7731 -51.7681 -51.7681 -24.7692 -24.7692 -24.7516 -24.7516 -16.3519 -16.3519 -16.3402 -16.3402 -16.0499 -16.0499 -15.9666 -15.9666 4.6619 4.6619 5.1274 5.1274 9.7808 9.7808 10.1088 10.1088 11.2878 11.2878 11.7688 11.7688 11.9905 11.9905 13.9083 13.9083 14.5339 14.5339 15.2740 15.2740 16.9193 16.9193 18.1461 18.1461 18.6280 18.6280 19.0778 19.0778 k = 0.1406 0.3679 1.0223 ( 2108 PWs) bands (ev): -51.7728 -51.7728 -51.7680 -51.7680 -24.7699 -24.7699 -24.7530 -24.7530 -16.3549 -16.3549 -16.3430 -16.3430 -16.0498 -16.0498 -15.9698 -15.9698 4.6399 4.6399 5.0836 5.0836 9.8825 9.8825 10.2051 10.2051 11.3449 11.3449 11.8165 11.8165 12.0175 12.0175 13.9144 13.9144 14.5192 14.5192 15.2133 15.2133 16.8234 16.8234 18.0691 18.0691 18.6192 18.6192 19.0797 19.0797 k = 0.1458 0.3553 1.0360 ( 2108 PWs) bands (ev): -51.7725 -51.7725 -51.7678 -51.7678 -24.7705 -24.7705 -24.7544 -24.7544 -16.3578 -16.3578 -16.3457 -16.3457 -16.0496 -16.0496 -15.9728 -15.9728 4.6186 4.6186 5.0404 5.0404 9.9852 9.9852 10.3026 10.3026 11.4021 11.4021 11.8662 11.8662 12.0451 12.0451 13.9084 13.9084 14.5138 14.5138 15.1554 15.1554 16.7316 16.7316 17.9883 17.9883 18.6128 18.6128 19.0788 19.0788 k = 0.1510 0.3427 1.0496 ( 2112 PWs) bands (ev): -51.7721 -51.7721 -51.7677 -51.7677 -24.7712 -24.7712 -24.7557 -24.7557 -16.3608 -16.3608 -16.3484 -16.3484 -16.0493 -16.0493 -15.9758 -15.9758 4.5981 4.5981 4.9980 4.9980 10.0885 10.0885 10.4011 10.4011 11.4587 11.4587 11.9178 11.9178 12.0731 12.0731 13.8905 13.8905 14.5169 14.5169 15.1007 15.1007 16.6450 16.6450 17.9047 17.9047 18.6079 18.6079 19.0744 19.0744 k = 0.1562 0.3301 1.0632 ( 2112 PWs) bands (ev): -51.7718 -51.7718 -51.7676 -51.7676 -24.7718 -24.7718 -24.7570 -24.7570 -16.3637 -16.3637 -16.3512 -16.3512 -16.0489 -16.0489 -15.9787 -15.9787 4.5785 4.5785 4.9566 4.9566 10.1917 10.1917 10.5004 10.5004 11.5141 11.5141 11.9712 11.9712 12.1020 12.1020 13.8617 13.8617 14.5266 14.5266 15.0492 15.0492 16.5647 16.5647 17.8194 17.8194 18.6036 18.6036 19.0656 19.0656 k = 0.1615 0.3175 1.0769 ( 2104 PWs) bands (ev): -51.7714 -51.7714 -51.7675 -51.7675 -24.7724 -24.7724 -24.7581 -24.7581 -16.3665 -16.3665 -16.3539 -16.3539 -16.0482 -16.0482 -15.9814 -15.9814 4.5599 4.5599 4.9162 4.9162 10.2944 10.2944 10.6006 10.6006 11.5678 11.5678 12.0260 12.0260 12.1322 12.1322 13.8239 13.8239 14.5405 14.5405 15.0012 15.0012 16.4920 16.4920 17.7333 17.7333 18.5990 18.5990 19.0517 19.0517 k = 0.1667 0.3049 1.0905 ( 2104 PWs) bands (ev): -51.7711 -51.7711 -51.7674 -51.7674 -24.7729 -24.7729 -24.7594 -24.7594 -16.3694 -16.3694 -16.3566 -16.3566 -16.0475 -16.0475 -15.9842 -15.9842 4.5423 4.5423 4.8770 4.8770 10.3957 10.3957 10.7014 10.7014 11.6193 11.6193 12.0807 12.0807 12.1648 12.1648 13.7788 13.7788 14.5559 14.5559 14.9569 14.9569 16.4280 16.4280 17.6471 17.6471 18.5934 18.5934 19.0314 19.0314 k = 0.1719 0.2923 1.1041 ( 2098 PWs) bands (ev): -51.7707 -51.7707 -51.7672 -51.7672 -24.7733 -24.7733 -24.7606 -24.7606 -16.3721 -16.3721 -16.3592 -16.3592 -16.0466 -16.0466 -15.9868 -15.9868 4.5260 4.5260 4.8390 4.8390 10.4952 10.4952 10.8028 10.8028 11.6682 11.6682 12.1326 12.1326 12.2024 12.2024 13.7276 13.7276 14.5705 14.5705 14.9165 14.9165 16.3738 16.3738 17.5617 17.5617 18.5858 18.5858 19.0036 19.0036 k = 0.1771 0.2797 1.1178 ( 2098 PWs) bands (ev): -51.7704 -51.7704 -51.7671 -51.7671 -24.7737 -24.7737 -24.7618 -24.7618 -16.3748 -16.3748 -16.3618 -16.3618 -16.0456 -16.0456 -15.9894 -15.9894 4.5109 4.5109 4.8025 4.8025 10.5920 10.5920 10.9045 10.9045 11.7141 11.7141 12.1778 12.1778 12.2483 12.2483 13.6716 13.6716 14.5826 14.5826 14.8803 14.8803 16.3302 16.3302 17.4779 17.4779 18.5754 18.5754 18.9675 18.9675 k = 0.1823 0.2671 1.1314 ( 2098 PWs) bands (ev): -51.7701 -51.7701 -51.7671 -51.7671 -24.7741 -24.7741 -24.7630 -24.7630 -16.3774 -16.3774 -16.3643 -16.3643 -16.0445 -16.0445 -15.9919 -15.9919 4.4972 4.4972 4.7673 4.7673 10.6856 10.6856 11.0065 11.0065 11.7569 11.7569 12.2157 12.2157 12.3026 12.3026 13.6115 13.6115 14.5909 14.5909 14.8482 14.8482 16.2979 16.2979 17.3963 17.3963 18.5612 18.5612 18.9223 18.9223 k = 0.1875 0.2545 1.1450 ( 2094 PWs) bands (ev): -51.7698 -51.7698 -51.7670 -51.7670 -24.7744 -24.7744 -24.7641 -24.7641 -16.3799 -16.3799 -16.3667 -16.3667 -16.0433 -16.0433 -15.9944 -15.9944 4.4849 4.4849 4.7338 4.7338 10.7753 10.7753 11.1084 11.1084 11.7965 11.7965 12.2495 12.2495 12.3611 12.3611 13.5480 13.5480 14.5948 14.5948 14.8204 14.8204 16.2774 16.2774 17.3176 17.3176 18.5426 18.5426 18.8680 18.8680 k = 0.1927 0.2419 1.1586 ( 2102 PWs) bands (ev): -51.7695 -51.7695 -51.7669 -51.7669 -24.7748 -24.7748 -24.7653 -24.7653 -16.3823 -16.3823 -16.3691 -16.3691 -16.0421 -16.0421 -15.9968 -15.9968 4.4741 4.4741 4.7018 4.7018 10.8605 10.8605 11.2097 11.2097 11.8327 11.8327 12.2815 12.2815 12.4207 12.4207 13.4814 13.4814 14.5941 14.5941 14.7966 14.7966 16.2685 16.2685 17.2424 17.2424 18.5187 18.5187 18.8051 18.8051 k = 0.1979 0.2293 1.1723 ( 2100 PWs) bands (ev): -51.7693 -51.7693 -51.7669 -51.7669 -24.7750 -24.7750 -24.7663 -24.7663 -16.3845 -16.3845 -16.3712 -16.3712 -16.0408 -16.0408 -15.9992 -15.9992 4.4649 4.4649 4.6715 4.6715 10.9406 10.9406 11.3100 11.3100 11.8656 11.8656 12.3130 12.3130 12.4791 12.4791 13.4122 13.4122 14.5896 14.5896 14.7762 14.7762 16.2708 16.2708 17.1711 17.1711 18.4892 18.4892 18.7352 18.7352 k = 0.2031 0.2167 1.1859 ( 2100 PWs) bands (ev): -51.7690 -51.7690 -51.7669 -51.7669 -24.7752 -24.7752 -24.7673 -24.7673 -16.3866 -16.3866 -16.3732 -16.3732 -16.0393 -16.0393 -16.0014 -16.0014 4.4574 4.4574 4.6430 4.6430 11.0152 11.0152 11.4086 11.4086 11.8953 11.8953 12.3444 12.3444 12.5349 12.5349 13.3409 13.3409 14.5822 14.5822 14.7586 14.7586 16.2835 16.2835 17.1042 17.1042 18.4541 18.4541 18.6604 18.6604 k = 0.2083 0.2041 1.1995 ( 2100 PWs) bands (ev): -51.7687 -51.7687 -51.7668 -51.7668 -24.7753 -24.7753 -24.7683 -24.7683 -16.3885 -16.3885 -16.3751 -16.3751 -16.0379 -16.0379 -16.0036 -16.0036 4.4515 4.4515 4.6162 4.6162 11.0836 11.0836 11.5047 11.5047 11.9217 11.9217 12.3760 12.3760 12.5869 12.5869 13.2677 13.2677 14.5733 14.5733 14.7433 14.7433 16.3055 16.3055 17.0418 17.0418 18.4140 18.4140 18.5833 18.5833 k = 0.2135 0.1915 1.2132 ( 2098 PWs) bands (ev): -51.7685 -51.7685 -51.7668 -51.7668 -24.7753 -24.7753 -24.7692 -24.7692 -16.3901 -16.3901 -16.3767 -16.3767 -16.0365 -16.0365 -16.0056 -16.0056 4.4474 4.4474 4.5914 4.5914 11.1454 11.1454 11.5974 11.5974 11.9448 11.9448 12.4081 12.4081 12.6342 12.6342 13.1933 13.1933 14.5637 14.5637 14.7298 14.7298 16.3356 16.3356 16.9840 16.9840 18.3701 18.3701 18.5065 18.5065 k = 0.2188 0.1789 1.2268 ( 2094 PWs) bands (ev): -51.7683 -51.7683 -51.7668 -51.7668 -24.7752 -24.7752 -24.7700 -24.7700 -16.3916 -16.3916 -16.3781 -16.3781 -16.0349 -16.0349 -16.0076 -16.0076 4.4451 4.4451 4.5684 4.5684 11.2001 11.2001 11.6853 11.6853 11.9649 11.9649 12.4408 12.4408 12.6757 12.6757 13.1184 13.1184 14.5544 14.5544 14.7181 14.7181 16.3722 16.3722 16.9305 16.9305 18.3243 18.3243 18.4326 18.4326 k = 0.2240 0.1663 1.2404 ( 2096 PWs) bands (ev): -51.7681 -51.7681 -51.7669 -51.7669 -24.7752 -24.7752 -24.7708 -24.7708 -16.3929 -16.3929 -16.3794 -16.3794 -16.0335 -16.0335 -16.0094 -16.0094 4.4446 4.4446 4.5473 4.5473 11.2472 11.2472 11.7669 11.7669 11.9820 11.9820 12.4743 12.4743 12.7109 12.7109 13.0438 13.0438 14.5459 14.5459 14.7080 14.7080 16.4137 16.4137 16.8808 16.8808 18.2792 18.2792 18.3640 18.3640 k = 0.2292 0.1538 1.2541 ( 2098 PWs) bands (ev): -51.7679 -51.7679 -51.7669 -51.7669 -24.7751 -24.7751 -24.7716 -24.7716 -16.3939 -16.3939 -16.3805 -16.3805 -16.0322 -16.0322 -16.0112 -16.0112 4.4460 4.4460 4.5282 4.5282 11.2864 11.2864 11.8398 11.8398 11.9962 11.9962 12.5093 12.5093 12.7388 12.7388 12.9709 12.9709 14.5385 14.5385 14.6996 14.6996 16.4586 16.4586 16.8341 16.8341 18.2377 18.2377 18.3030 18.3030 k = 0.2344 0.1412 1.2677 ( 2102 PWs) bands (ev): -51.7677 -51.7677 -51.7670 -51.7670 -24.7750 -24.7750 -24.7722 -24.7722 -16.3948 -16.3948 -16.3813 -16.3813 -16.0310 -16.0310 -16.0127 -16.0127 4.4493 4.4493 4.5111 4.5111 11.3172 11.3172 11.9011 11.9011 12.0081 12.0081 12.5467 12.5467 12.7578 12.7578 12.9024 12.9024 14.5326 14.5326 14.6930 14.6930 16.5054 16.5054 16.7895 16.7895 18.2030 18.2030 18.2514 18.2514 k = 0.2396 0.1286 1.2813 ( 2104 PWs) bands (ev): -51.7676 -51.7676 -51.7671 -51.7671 -24.7747 -24.7747 -24.7729 -24.7729 -16.3954 -16.3954 -16.3819 -16.3819 -16.0299 -16.0299 -16.0140 -16.0140 4.4545 4.4545 4.4959 4.4959 11.3393 11.3393 11.9470 11.9470 12.0181 12.0181 12.5874 12.5874 12.7609 12.7609 12.8466 12.8466 14.5283 14.5283 14.6883 14.6883 16.5522 16.5522 16.7463 16.7463 18.1778 18.1778 18.2112 18.2112 k = 0.2448 0.1160 1.2950 ( 2100 PWs) bands (ev): -51.7674 -51.7674 -51.7672 -51.7672 -24.7743 -24.7743 -24.7734 -24.7734 -16.3957 -16.3957 -16.3822 -16.3822 -16.0292 -16.0292 -16.0148 -16.0148 4.4615 4.4615 4.4830 4.4830 11.3527 11.3527 11.9741 11.9741 12.0263 12.0263 12.6326 12.6326 12.7319 12.7319 12.8217 12.8217 14.5257 14.5257 14.6854 14.6854 16.5965 16.5965 16.7052 16.7052 18.1640 18.1640 18.1842 18.1842 k = 0.2500 0.1034 1.3086 ( 2096 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3958 -16.3958 -16.3823 -16.3823 -16.0289 -16.0289 -16.0151 -16.0151 4.4679 4.4679 4.4746 4.4746 11.3572 11.3572 11.9825 11.9825 12.0299 12.0299 12.6780 12.6780 12.6868 12.6868 12.8182 12.8182 14.5248 14.5248 14.6845 14.6845 16.6232 16.6232 16.6797 16.6797 18.1605 18.1605 18.1737 18.1737 k = 0.2500 0.1034 1.3086 ( 2096 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3958 -16.3958 -16.3823 -16.3823 -16.0289 -16.0289 -16.0151 -16.0151 4.4679 4.4679 4.4746 4.4746 11.3572 11.3572 11.9825 11.9825 12.0299 12.0299 12.6780 12.6780 12.6868 12.6868 12.8182 12.8182 14.5248 14.5248 14.6845 14.6845 16.6232 16.6232 16.6797 16.6797 18.1605 18.1605 18.1737 18.1737 k = 0.2667 0.1103 1.3011 ( 2095 PWs) bands (ev): -51.7673 -51.7673 -51.7672 -51.7672 -24.7740 -24.7740 -24.7736 -24.7736 -16.3957 -16.3957 -16.3823 -16.3823 -16.0289 -16.0289 -16.0150 -16.0150 4.4664 4.4664 4.4764 4.4764 11.3575 11.3575 11.9748 11.9748 12.0325 12.0325 12.6563 12.6563 12.7002 12.7002 12.8342 12.8342 14.5193 14.5193 14.6790 14.6790 16.6248 16.6248 16.6892 16.6892 18.1609 18.1609 18.1753 18.1753 k = 0.2833 0.1171 1.2937 ( 2097 PWs) bands (ev): -51.7674 -51.7674 -51.7672 -51.7672 -24.7741 -24.7741 -24.7735 -24.7735 -16.3956 -16.3956 -16.3824 -16.3824 -16.0289 -16.0289 -16.0150 -16.0150 4.4641 4.4641 4.4796 4.4796 11.3582 11.3582 11.9536 11.9536 12.0388 12.0388 12.6202 12.6202 12.7225 12.7225 12.8703 12.8703 14.5028 14.5028 14.6632 14.6632 16.6345 16.6345 16.7119 16.7119 18.1623 18.1623 18.1800 18.1800 k = 0.3000 0.1240 1.2862 ( 2093 PWs) bands (ev): -51.7674 -51.7674 -51.7671 -51.7671 -24.7742 -24.7742 -24.7733 -24.7733 -16.3953 -16.3953 -16.3825 -16.3825 -16.0287 -16.0287 -16.0150 -16.0150 4.4622 4.4622 4.4830 4.4830 11.3594 11.3594 11.9234 11.9234 12.0460 12.0460 12.5811 12.5811 12.7524 12.7524 12.9147 12.9147 14.4758 14.4758 14.6382 14.6382 16.6555 16.6555 16.7429 16.7429 18.1650 18.1650 18.1878 18.1878 k = 0.3167 0.1309 1.2788 ( 2097 PWs) bands (ev): -51.7674 -51.7674 -51.7671 -51.7671 -24.7743 -24.7743 -24.7732 -24.7732 -16.3950 -16.3950 -16.3827 -16.3827 -16.0286 -16.0286 -16.0152 -16.0152 4.4610 4.4610 4.4862 4.4862 11.3610 11.3610 11.8868 11.8868 12.0532 12.0532 12.5421 12.5421 12.7887 12.7887 12.9632 12.9632 14.4389 14.4389 14.6059 14.6059 16.6871 16.6871 16.7800 16.7800 18.1692 18.1692 18.1983 18.1983 k = 0.3333 0.1378 1.2713 ( 2097 PWs) bands (ev): -51.7675 -51.7675 -51.7671 -51.7671 -24.7744 -24.7744 -24.7731 -24.7731 -16.3945 -16.3945 -16.3828 -16.3828 -16.0284 -16.0284 -16.0153 -16.0153 4.4606 4.4606 4.4893 4.4893 11.3629 11.3629 11.8456 11.8456 12.0607 12.0607 12.5041 12.5041 12.8300 12.8300 13.0138 13.0138 14.3936 14.3936 14.5682 14.5682 16.7273 16.7273 16.8214 16.8214 18.1752 18.1752 18.2116 18.2116 k = 0.3500 0.1447 1.2638 ( 2099 PWs) bands (ev): -51.7675 -51.7675 -51.7672 -51.7672 -24.7744 -24.7744 -24.7730 -24.7730 -16.3939 -16.3939 -16.3830 -16.3830 -16.0282 -16.0282 -16.0155 -16.0155 4.4610 4.4610 4.4921 4.4921 11.3649 11.3649 11.8012 11.8012 12.0686 12.0686 12.4674 12.4674 12.8747 12.8747 13.0655 13.0655 14.3421 14.3421 14.5267 14.5267 16.7737 16.7737 16.8658 16.8658 18.1827 18.1827 18.2275 18.2275 k = 0.3667 0.1516 1.2564 ( 2100 PWs) bands (ev): -51.7675 -51.7675 -51.7672 -51.7672 -24.7744 -24.7744 -24.7729 -24.7729 -16.3933 -16.3933 -16.3833 -16.3833 -16.0278 -16.0278 -16.0158 -16.0158 4.4622 4.4622 4.4947 4.4947 11.3670 11.3670 11.7546 11.7546 12.0774 12.0774 12.4319 12.4319 12.9211 12.9211 13.1171 13.1171 14.2867 14.2867 14.4825 14.4825 16.8239 16.8239 16.9117 16.9117 18.1920 18.1920 18.2458 18.2458 k = 0.3833 0.1585 1.2489 ( 2103 PWs) bands (ev): -51.7676 -51.7676 -51.7672 -51.7672 -24.7743 -24.7743 -24.7729 -24.7729 -16.3926 -16.3926 -16.3836 -16.3836 -16.0274 -16.0274 -16.0162 -16.0162 4.4642 4.4642 4.4970 4.4970 11.3691 11.3691 11.7067 11.7067 12.0872 12.0872 12.3975 12.3975 12.9681 12.9681 13.1672 13.1672 14.2308 14.2308 14.4369 14.4369 16.8753 16.8753 16.9576 16.9576 18.2029 18.2029 18.2662 18.2662 k = 0.4000 0.1654 1.2415 ( 2103 PWs) bands (ev): -51.7676 -51.7676 -51.7672 -51.7672 -24.7742 -24.7742 -24.7728 -24.7728 -16.3918 -16.3918 -16.3838 -16.3838 -16.0268 -16.0268 -16.0166 -16.0166 4.4671 4.4671 4.4990 4.4990 11.3710 11.3710 11.6583 11.6583 12.0982 12.0982 12.3643 12.3643 13.0144 13.0144 13.2135 13.2135 14.1778 14.1778 14.3910 14.3910 16.9255 16.9255 17.0019 17.0019 18.2155 18.2155 18.2883 18.2883 k = 0.4167 0.1723 1.2340 ( 2105 PWs) bands (ev): -51.7676 -51.7676 -51.7672 -51.7672 -24.7741 -24.7741 -24.7728 -24.7728 -16.3909 -16.3909 -16.3841 -16.3841 -16.0262 -16.0262 -16.0172 -16.0172 4.4709 4.4709 4.5006 4.5006 11.3726 11.3726 11.6098 11.6098 12.1105 12.1105 12.3323 12.3323 13.0589 13.0589 13.2530 13.2530 14.1320 14.1320 14.3459 14.3459 16.9725 16.9725 17.0430 17.0430 18.2297 18.2297 18.3119 18.3119 k = 0.4333 0.1792 1.2266 ( 2104 PWs) bands (ev): -51.7676 -51.7676 -51.7673 -51.7673 -24.7739 -24.7739 -24.7728 -24.7728 -16.3899 -16.3899 -16.3843 -16.3843 -16.0254 -16.0254 -16.0178 -16.0178 4.4756 4.4756 4.5019 4.5019 11.3736 11.3736 11.5616 11.5616 12.1242 12.1242 12.3014 12.3014 13.1007 13.1007 13.2818 13.2818 14.0979 14.0979 14.3031 14.3031 17.0141 17.0141 17.0793 17.0793 18.2456 18.2456 18.3364 18.3364 k = 0.4500 0.1861 1.2191 ( 2108 PWs) bands (ev): -51.7676 -51.7676 -51.7674 -51.7674 -24.7737 -24.7737 -24.7728 -24.7728 -16.3889 -16.3889 -16.3845 -16.3845 -16.0246 -16.0246 -16.0185 -16.0185 4.4811 4.4811 4.5028 4.5028 11.3737 11.3737 11.5143 11.5143 12.1392 12.1392 12.2717 12.2717 13.1385 13.1385 13.2962 13.2962 14.0795 14.0795 14.2645 14.2645 17.0486 17.0486 17.1092 17.1092 18.2631 18.2631 18.3617 18.3617 k = 0.4667 0.1929 1.2117 ( 2109 PWs) bands (ev): -51.7676 -51.7676 -51.7674 -51.7674 -24.7734 -24.7734 -24.7728 -24.7728 -16.3879 -16.3879 -16.3847 -16.3847 -16.0237 -16.0237 -16.0193 -16.0193 4.4876 4.4876 4.5034 4.5034 11.3724 11.3724 11.4683 11.4683 12.1553 12.1553 12.2434 12.2434 13.1710 13.1710 13.2940 13.2940 14.0785 14.0785 14.2330 14.2330 17.0746 17.0746 17.1314 17.1314 18.2821 18.2821 18.3876 18.3876 k = 0.4833 0.1998 1.2042 ( 2112 PWs) bands (ev): -51.7676 -51.7676 -51.7675 -51.7675 -24.7732 -24.7732 -24.7729 -24.7729 -16.3869 -16.3869 -16.3848 -16.3848 -16.0228 -16.0228 -16.0201 -16.0201 4.4948 4.4948 4.5037 4.5037 11.3681 11.3681 11.4254 11.4254 12.1721 12.1721 12.2168 12.2168 13.1948 13.1948 13.2775 13.2775 14.0910 14.0910 14.2138 14.2138 17.0909 17.0909 17.1450 17.1450 18.3026 18.3026 18.4139 18.4139 k = 0.5000 0.2067 1.1967 ( 2116 PWs) bands (ev): -51.7676 -51.7676 -51.7676 -51.7676 -24.7729 -24.7729 -24.7729 -24.7729 -16.3862 -16.3862 -16.3845 -16.3845 -16.0224 -16.0224 -16.0205 -16.0205 4.5018 4.5018 4.5047 4.5047 11.3536 11.3536 11.3926 11.3926 12.1847 12.1847 12.1967 12.1967 13.1988 13.1988 13.2598 13.2598 14.1059 14.1059 14.2169 14.2169 17.0966 17.0966 17.1495 17.1495 18.3246 18.3246 18.4406 18.4406 k = 0.5000 0.2067 1.1967 ( 2116 PWs) bands (ev): -51.7676 -51.7676 -51.7676 -51.7676 -24.7729 -24.7729 -24.7729 -24.7729 -16.3862 -16.3862 -16.3845 -16.3845 -16.0224 -16.0224 -16.0205 -16.0205 4.5018 4.5018 4.5047 4.5047 11.3536 11.3536 11.3926 11.3926 12.1847 12.1847 12.1967 12.1967 13.1988 13.1988 13.2598 13.2598 14.1059 14.1059 14.2169 14.2169 17.0966 17.0966 17.1495 17.1495 18.3246 18.3246 18.4406 18.4406 k = 0.5000 0.2067 1.1774 ( 2120 PWs) bands (ev): -51.7677 -51.7677 -51.7677 -51.7677 -24.7726 -24.7726 -24.7725 -24.7725 -16.3850 -16.3850 -16.3829 -16.3829 -16.0223 -16.0223 -16.0201 -16.0201 4.5130 4.5130 4.5164 4.5164 11.2866 11.2866 11.3295 11.3295 12.1749 12.1749 12.1887 12.1887 13.1619 13.1619 13.2321 13.2321 14.1376 14.1376 14.2658 14.2658 17.1007 17.1007 17.1517 17.1517 18.3849 18.3849 18.5104 18.5104 k = 0.5000 0.2067 1.1581 ( 2124 PWs) bands (ev): -51.7678 -51.7678 -51.7678 -51.7678 -24.7721 -24.7721 -24.7721 -24.7721 -16.3834 -16.3834 -16.3811 -16.3811 -16.0222 -16.0222 -16.0197 -16.0197 4.5256 4.5256 4.5296 4.5296 11.2133 11.2133 11.2594 11.2594 12.1642 12.1642 12.1797 12.1797 13.1211 13.1211 13.1997 13.1997 14.1735 14.1735 14.3178 14.3178 17.1126 17.1126 17.1592 17.1592 18.4463 18.4463 18.5787 18.5787 k = 0.5000 0.2067 1.1388 ( 2112 PWs) bands (ev): -51.7679 -51.7679 -51.7679 -51.7679 -24.7714 -24.7714 -24.7714 -24.7714 -16.3816 -16.3816 -16.3789 -16.3789 -16.0220 -16.0220 -16.0191 -16.0191 4.5395 4.5395 4.5440 4.5440 11.1350 11.1350 11.1835 11.1835 12.1529 12.1529 12.1698 12.1698 13.0770 13.0770 13.1629 13.1629 14.2128 14.2128 14.3721 14.3721 17.1327 17.1327 17.1732 17.1732 18.5063 18.5063 18.6433 18.6433 k = 0.5000 0.2067 1.1195 ( 2112 PWs) bands (ev): -51.7681 -51.7681 -51.7681 -51.7681 -24.7708 -24.7708 -24.7708 -24.7708 -16.3795 -16.3795 -16.3766 -16.3766 -16.0218 -16.0218 -16.0186 -16.0186 4.5545 4.5545 4.5595 4.5595 11.0527 11.0527 11.1030 11.1030 12.1409 12.1409 12.1591 12.1591 13.0303 13.0303 13.1224 13.1224 14.2546 14.2546 14.4277 14.4277 17.1613 17.1613 17.1942 17.1942 18.5631 18.5631 18.7025 18.7025 k = 0.5000 0.2067 1.1002 ( 2110 PWs) bands (ev): -51.7683 -51.7683 -51.7683 -51.7683 -24.7701 -24.7701 -24.7701 -24.7701 -16.3773 -16.3773 -16.3740 -16.3740 -16.0215 -16.0215 -16.0180 -16.0180 4.5703 4.5703 4.5758 4.5758 10.9676 10.9676 11.0191 11.0191 12.1284 12.1284 12.1474 12.1474 12.9817 12.9817 13.0788 13.0788 14.2981 14.2981 14.4840 14.4840 17.1985 17.1985 17.2228 17.2228 18.6152 18.6152 18.7551 18.7551 k = 0.5000 0.2067 1.0809 ( 2112 PWs) bands (ev): -51.7684 -51.7684 -51.7684 -51.7684 -24.7694 -24.7694 -24.7694 -24.7694 -16.3748 -16.3748 -16.3712 -16.3712 -16.0213 -16.0213 -16.0175 -16.0175 4.5867 4.5867 4.5928 4.5928 10.8806 10.8806 10.9330 10.9330 12.1154 12.1154 12.1349 12.1349 12.9318 12.9318 13.0327 13.0327 14.3428 14.3428 14.5404 14.5404 17.2441 17.2441 17.2589 17.2589 18.6617 18.6617 18.8005 18.8005 k = 0.5000 0.2067 1.0616 ( 2108 PWs) bands (ev): -51.7686 -51.7686 -51.7686 -51.7686 -24.7686 -24.7686 -24.7686 -24.7686 -16.3721 -16.3721 -16.3682 -16.3682 -16.0210 -16.0210 -16.0168 -16.0168 4.6035 4.6035 4.6100 4.6100 10.7928 10.7928 10.8457 10.8457 12.1019 12.1019 12.1216 12.1216 12.8812 12.8812 12.9849 12.9849 14.3882 14.3882 14.5963 14.5963 17.2978 17.2978 17.3026 17.3026 18.7023 18.7023 18.8386 18.8386 k = 0.5000 0.2067 1.0423 ( 2108 PWs) bands (ev): -51.7688 -51.7688 -51.7688 -51.7688 -24.7677 -24.7677 -24.7677 -24.7677 -16.3692 -16.3692 -16.3650 -16.3650 -16.0207 -16.0207 -16.0162 -16.0162 4.6202 4.6202 4.6273 4.6273 10.7050 10.7050 10.7582 10.7582 12.0879 12.0879 12.1074 12.1074 12.8306 12.8306 12.9358 12.9358 14.4338 14.4338 14.6515 14.6515 17.3536 17.3536 17.3592 17.3592 18.7368 18.7368 18.8698 18.8698 k = 0.5000 0.2067 1.0230 ( 2096 PWs) bands (ev): -51.7690 -51.7690 -51.7690 -51.7690 -24.7667 -24.7667 -24.7667 -24.7667 -16.3659 -16.3659 -16.3614 -16.3614 -16.0202 -16.0202 -16.0154 -16.0154 4.6366 4.6366 4.6442 4.6442 10.6184 10.6184 10.6716 10.6716 12.0736 12.0736 12.0924 12.0924 12.7804 12.7804 12.8862 12.8862 14.4793 14.4793 14.7056 14.7056 17.4115 17.4115 17.4278 17.4278 18.7655 18.7655 18.8949 18.8949 k = 0.5000 0.2067 1.0037 ( 2108 PWs) bands (ev): -51.7693 -51.7693 -51.7693 -51.7693 -24.7659 -24.7659 -24.7658 -24.7658 -16.3627 -16.3627 -16.3579 -16.3579 -16.0199 -16.0199 -16.0148 -16.0148 4.6523 4.6523 4.6604 4.6604 10.5336 10.5336 10.5868 10.5868 12.0590 12.0590 12.0765 12.0765 12.7312 12.7312 12.8365 12.8365 14.5244 14.5244 14.7584 14.7584 17.4758 17.4758 17.5030 17.5030 18.7888 18.7888 18.9145 18.9145 k = 0.5000 0.2067 0.9844 ( 2112 PWs) bands (ev): -51.7695 -51.7695 -51.7695 -51.7695 -24.7649 -24.7649 -24.7648 -24.7648 -16.3592 -16.3592 -16.3541 -16.3541 -16.0195 -16.0195 -16.0140 -16.0140 4.6669 4.6669 4.6756 4.6756 10.4516 10.4516 10.5047 10.5047 12.0440 12.0440 12.0597 12.0597 12.6835 12.6835 12.7872 12.7872 14.5691 14.5691 14.8098 14.8098 17.5459 17.5459 17.5841 17.5841 18.8072 18.8072 18.9297 18.9297 k = 0.5000 0.2067 0.9651 ( 2112 PWs) bands (ev): -51.7698 -51.7698 -51.7698 -51.7698 -24.7638 -24.7638 -24.7638 -24.7638 -16.3554 -16.3554 -16.3501 -16.3501 -16.0190 -16.0190 -16.0133 -16.0133 4.6801 4.6801 4.6892 4.6892 10.3732 10.3732 10.4262 10.4262 12.0288 12.0288 12.0421 12.0421 12.6376 12.6376 12.7387 12.7387 14.6132 14.6132 14.8599 14.8599 17.6212 17.6212 17.6707 17.6707 18.8212 18.8212 18.9413 18.9413 k = 0.5000 0.2067 0.9458 ( 2106 PWs) bands (ev): -51.7700 -51.7700 -51.7700 -51.7700 -24.7626 -24.7626 -24.7626 -24.7626 -16.3514 -16.3514 -16.3458 -16.3458 -16.0185 -16.0185 -16.0124 -16.0124 4.6914 4.6914 4.7010 4.7010 10.2994 10.2994 10.3522 10.3522 12.0135 12.0135 12.0236 12.0236 12.5939 12.5939 12.6915 12.6915 14.6566 14.6566 14.9086 14.9086 17.7007 17.7007 17.7618 17.7618 18.8315 18.8315 18.9498 18.9498 k = 0.5000 0.2067 0.9265 ( 2110 PWs) bands (ev): -51.7703 -51.7703 -51.7703 -51.7703 -24.7615 -24.7615 -24.7615 -24.7615 -16.3474 -16.3474 -16.3414 -16.3414 -16.0179 -16.0179 -16.0116 -16.0116 4.7004 4.7004 4.7104 4.7104 10.2308 10.2308 10.2834 10.2834 11.9979 11.9979 12.0043 12.0043 12.5527 12.5527 12.6457 12.6457 14.6992 14.6992 14.9558 14.9558 17.7837 17.7837 17.8568 17.8568 18.8384 18.8384 18.9559 18.9559 k = 0.5000 0.2067 0.9072 ( 2110 PWs) bands (ev): -51.7706 -51.7706 -51.7706 -51.7706 -24.7603 -24.7603 -24.7602 -24.7602 -16.3430 -16.3430 -16.3368 -16.3368 -16.0173 -16.0173 -16.0107 -16.0107 4.7066 4.7066 4.7170 4.7170 10.1682 10.1682 10.2206 10.2206 11.9823 11.9823 11.9843 11.9843 12.5143 12.5143 12.6018 12.6018 14.7411 14.7411 15.0017 15.0017 17.8692 17.8692 17.9549 17.9549 18.8424 18.8424 18.9599 18.9599 k = 0.5000 0.2067 0.8879 ( 2108 PWs) bands (ev): -51.7709 -51.7709 -51.7709 -51.7709 -24.7590 -24.7590 -24.7589 -24.7589 -16.3385 -16.3385 -16.3320 -16.3320 -16.0167 -16.0167 -16.0097 -16.0097 4.7097 4.7097 4.7205 4.7205 10.1124 10.1124 10.1646 10.1646 11.9636 11.9636 11.9667 11.9667 12.4788 12.4788 12.5599 12.5599 14.7822 14.7822 15.0464 15.0464 17.9561 17.9561 18.0553 18.0553 18.8439 18.8439 18.9624 18.9624 k = 0.5000 0.2067 0.8686 ( 2108 PWs) bands (ev): -51.7712 -51.7712 -51.7712 -51.7712 -24.7577 -24.7577 -24.7576 -24.7576 -16.3338 -16.3338 -16.3271 -16.3271 -16.0160 -16.0160 -16.0088 -16.0088 4.7093 4.7093 4.7204 4.7204 10.0639 10.0639 10.1161 10.1161 11.9424 11.9424 11.9512 11.9512 12.4464 12.4464 12.5203 12.5203 14.8225 14.8225 15.0898 15.0898 18.0433 18.0433 18.1572 18.1572 18.8430 18.8430 18.9635 18.9635 k = 0.5000 0.2067 0.8493 ( 2104 PWs) bands (ev): -51.7715 -51.7715 -51.7715 -51.7715 -24.7563 -24.7563 -24.7562 -24.7562 -16.3289 -16.3289 -16.3219 -16.3219 -16.0153 -16.0153 -16.0078 -16.0078 4.7050 4.7050 4.7164 4.7164 10.0235 10.0235 10.0755 10.0755 11.9208 11.9208 11.9357 11.9357 12.4170 12.4170 12.4831 12.4831 14.8621 14.8621 15.1320 15.1320 18.1294 18.1294 18.2596 18.2596 18.8398 18.8398 18.9635 18.9635 k = 0.5000 0.2067 0.8300 ( 2108 PWs) bands (ev): -51.7719 -51.7719 -51.7719 -51.7719 -24.7549 -24.7549 -24.7549 -24.7549 -16.3240 -16.3240 -16.3167 -16.3167 -16.0146 -16.0146 -16.0068 -16.0068 4.6966 4.6966 4.7081 4.7081 9.9916 9.9916 10.0436 10.0436 11.8990 11.8990 11.9205 11.9205 12.3908 12.3908 12.4485 12.4485 14.9008 14.9008 15.1731 15.1731 18.2129 18.2129 18.3614 18.3614 18.8343 18.8343 18.9626 18.9626 k = 0.5000 0.2067 0.8107 ( 2110 PWs) bands (ev): -51.7722 -51.7722 -51.7722 -51.7722 -24.7535 -24.7535 -24.7535 -24.7535 -16.3188 -16.3188 -16.3113 -16.3113 -16.0139 -16.0139 -16.0058 -16.0058 4.6836 4.6836 4.6953 4.6953 9.9687 9.9687 10.0206 10.0206 11.8773 11.8773 11.9055 11.9055 12.3677 12.3677 12.4166 12.4166 14.9387 14.9387 15.2130 15.2130 18.2921 18.2921 18.4612 18.4612 18.8257 18.8257 18.9608 18.9608 k = 0.5000 0.2067 0.7914 ( 2108 PWs) bands (ev): -51.7726 -51.7726 -51.7726 -51.7726 -24.7521 -24.7521 -24.7520 -24.7520 -16.3135 -16.3135 -16.3057 -16.3057 -16.0131 -16.0131 -16.0047 -16.0047 4.6661 4.6661 4.6779 4.6779 9.9552 9.9552 10.0071 10.0071 11.8559 11.8559 11.8909 11.8909 12.3476 12.3476 12.3875 12.3875 14.9758 14.9758 15.2519 15.2519 18.3649 18.3649 18.5572 18.5572 18.8131 18.8131 18.9583 18.9583 k = 0.5000 0.2067 0.7721 ( 2104 PWs) bands (ev): -51.7729 -51.7729 -51.7729 -51.7729 -24.7505 -24.7505 -24.7505 -24.7505 -16.3080 -16.3080 -16.2999 -16.2999 -16.0122 -16.0122 -16.0036 -16.0036 4.6438 4.6438 4.6556 4.6556 9.9512 9.9512 10.0032 10.0032 11.8350 11.8350 11.8767 11.8767 12.3304 12.3304 12.3612 12.3612 15.0121 15.0121 15.2897 15.2897 18.4291 18.4291 18.6457 18.6457 18.7943 18.7943 18.9551 18.9551 k = 0.5000 0.2067 0.7528 ( 2104 PWs) bands (ev): -51.7732 -51.7732 -51.7732 -51.7732 -24.7490 -24.7490 -24.7490 -24.7490 -16.3024 -16.3024 -16.2941 -16.2941 -16.0114 -16.0114 -16.0025 -16.0025 4.6168 4.6168 4.6286 4.6286 9.9570 9.9570 10.0091 10.0091 11.8150 11.8150 11.8631 11.8631 12.3159 12.3159 12.3378 12.3378 15.0475 15.0475 15.3263 15.3263 18.4828 18.4828 18.7186 18.7186 18.7664 18.7664 18.9508 18.9508 k = 0.5000 0.2067 0.7335 ( 2104 PWs) bands (ev): -51.7736 -51.7736 -51.7736 -51.7736 -24.7475 -24.7475 -24.7474 -24.7474 -16.2967 -16.2967 -16.2882 -16.2882 -16.0105 -16.0105 -16.0014 -16.0014 4.5850 4.5850 4.5967 4.5967 9.9725 9.9725 10.0249 10.0249 11.7960 11.7960 11.8501 11.8501 12.3041 12.3041 12.3172 12.3172 15.0820 15.0820 15.3618 15.3618 18.5242 18.5242 18.7267 18.7267 18.7557 18.7557 18.9426 18.9426 k = 0.5000 0.2067 0.7142 ( 2104 PWs) bands (ev): -51.7740 -51.7740 -51.7740 -51.7740 -24.7459 -24.7459 -24.7459 -24.7459 -16.2909 -16.2909 -16.2822 -16.2822 -16.0096 -16.0096 -16.0003 -16.0003 4.5487 4.5487 4.5602 4.5602 9.9978 9.9978 10.0505 10.0505 11.7784 11.7784 11.8380 11.8380 12.2949 12.2949 12.2996 12.2996 15.1155 15.1155 15.3960 15.3960 18.5526 18.5526 18.6743 18.6743 18.7336 18.7336 18.9337 18.9337 k = 0.5000 0.2067 0.6949 ( 2104 PWs) bands (ev): -51.7743 -51.7743 -51.7743 -51.7743 -24.7443 -24.7443 -24.7443 -24.7443 -16.2850 -16.2850 -16.2760 -16.2760 -16.0087 -16.0087 -15.9992 -15.9992 4.5079 4.5079 4.5193 4.5193 10.0325 10.0325 10.0857 10.0857 11.7623 11.7623 11.8268 11.8268 12.2848 12.2848 12.2881 12.2881 15.1479 15.1479 15.4291 15.4291 18.5628 18.5628 18.6156 18.6156 18.6675 18.6675 18.9265 18.9265 k = 0.5000 0.2067 0.6756 ( 2104 PWs) bands (ev): -51.7747 -51.7747 -51.7747 -51.7747 -24.7427 -24.7427 -24.7427 -24.7427 -16.2790 -16.2790 -16.2698 -16.2698 -16.0078 -16.0078 -15.9980 -15.9980 4.4631 4.4631 4.4742 4.4742 10.0764 10.0764 10.1304 10.1304 11.7482 11.7482 11.8167 11.8167 12.2729 12.2729 12.2837 12.2837 15.1793 15.1793 15.4608 15.4608 18.5153 18.5153 18.5810 18.5810 18.5935 18.5935 18.9184 18.9184 k = 0.5000 0.2067 0.6563 ( 2104 PWs) bands (ev): -51.7751 -51.7751 -51.7751 -51.7751 -24.7411 -24.7411 -24.7411 -24.7411 -16.2730 -16.2730 -16.2636 -16.2636 -16.0069 -16.0069 -15.9969 -15.9969 4.4144 4.4144 4.4253 4.4253 10.1292 10.1292 10.1841 10.1841 11.7361 11.7361 11.8079 11.8079 12.2638 12.2638 12.2816 12.2816 15.2096 15.2096 15.4910 15.4910 18.4305 18.4305 18.4840 18.4840 18.5919 18.5919 18.9084 18.9084 k = 0.5000 0.2067 0.6370 ( 2108 PWs) bands (ev): -51.7754 -51.7754 -51.7754 -51.7754 -24.7396 -24.7396 -24.7395 -24.7395 -16.2669 -16.2669 -16.2573 -16.2573 -16.0059 -16.0059 -15.9958 -15.9958 4.3623 4.3623 4.3728 4.3728 10.1903 10.1903 10.2464 10.2464 11.7263 11.7263 11.8006 11.8006 12.2576 12.2576 12.2817 12.2817 15.2387 15.2387 15.5198 15.5198 18.3350 18.3350 18.3802 18.3802 18.5875 18.5875 18.8956 18.8956 k = 0.5000 0.2067 0.6177 ( 2108 PWs) bands (ev): -51.7758 -51.7758 -51.7758 -51.7758 -24.7379 -24.7379 -24.7379 -24.7379 -16.2607 -16.2607 -16.2509 -16.2509 -16.0050 -16.0050 -15.9946 -15.9946 4.3071 4.3071 4.3173 4.3173 10.2591 10.2591 10.3168 10.3168 11.7192 11.7192 11.7948 11.7948 12.2541 12.2541 12.2841 12.2841 15.2665 15.2665 15.5469 15.5469 18.2328 18.2328 18.2714 18.2714 18.5791 18.5791 18.8791 18.8791 k = 0.5000 0.2067 0.5984 ( 2112 PWs) bands (ev): -51.7762 -51.7762 -51.7762 -51.7762 -24.7364 -24.7364 -24.7363 -24.7363 -16.2545 -16.2545 -16.2446 -16.2446 -16.0040 -16.0040 -15.9935 -15.9935 4.2493 4.2493 4.2592 4.2592 10.3350 10.3350 10.3948 10.3948 11.7150 11.7150 11.7910 11.7910 12.2534 12.2534 12.2886 12.2886 15.2929 15.2929 15.5724 15.5724 18.1256 18.1256 18.1590 18.1590 18.5673 18.5673 18.8578 18.8578 k = 0.5000 0.2067 0.5791 ( 2112 PWs) bands (ev): -51.7765 -51.7765 -51.7765 -51.7765 -24.7347 -24.7347 -24.7347 -24.7347 -16.2482 -16.2482 -16.2382 -16.2382 -16.0030 -16.0030 -15.9924 -15.9924 4.1893 4.1893 4.1988 4.1988 10.4172 10.4172 10.4795 10.4795 11.7142 11.7142 11.7893 11.7893 12.2556 12.2556 12.2954 12.2954 15.3180 15.3180 15.5960 15.5960 18.0145 18.0145 18.0437 18.0437 18.5523 18.5523 18.8304 18.8304 k = 0.5000 0.2067 0.5598 ( 2108 PWs) bands (ev): -51.7769 -51.7769 -51.7769 -51.7769 -24.7331 -24.7331 -24.7330 -24.7330 -16.2419 -16.2419 -16.2318 -16.2318 -16.0020 -16.0020 -15.9913 -15.9913 4.1275 4.1275 4.1365 4.1365 10.5047 10.5047 10.5703 10.5703 11.7173 11.7173 11.7901 11.7901 12.2606 12.2606 12.3044 12.3044 15.3416 15.3416 15.6177 15.6177 17.9005 17.9005 17.9263 17.9263 18.5342 18.5342 18.7962 18.7962 k = 0.5000 0.2067 0.5405 ( 2108 PWs) bands (ev): -51.7773 -51.7773 -51.7773 -51.7773 -24.7315 -24.7315 -24.7314 -24.7314 -16.2357 -16.2357 -16.2254 -16.2254 -16.0010 -16.0010 -15.9902 -15.9902 4.0642 4.0642 4.0729 4.0729 10.5963 10.5963 10.6661 10.6661 11.7248 11.7248 11.7939 11.7939 12.2686 12.2686 12.3158 12.3158 15.3637 15.3637 15.6374 15.6374 17.7844 17.7844 17.8075 17.8075 18.5128 18.5128 18.7551 18.7551 k = 0.5000 0.2067 0.5212 ( 2106 PWs) bands (ev): -51.7776 -51.7776 -51.7776 -51.7776 -24.7299 -24.7299 -24.7298 -24.7298 -16.2295 -16.2295 -16.2191 -16.2191 -16.0000 -16.0000 -15.9890 -15.9890 4.0000 4.0000 4.0083 4.0083 10.6907 10.6907 10.7656 10.7656 11.7376 11.7376 11.8011 11.8011 12.2797 12.2797 12.3295 12.3295 15.3843 15.3843 15.6549 15.6549 17.6670 17.6670 17.6878 17.6878 18.4879 18.4879 18.7080 18.7080 k = 0.5000 0.2067 0.5019 ( 2114 PWs) bands (ev): -51.7780 -51.7780 -51.7780 -51.7780 -24.7284 -24.7284 -24.7284 -24.7284 -16.2233 -16.2233 -16.2128 -16.2128 -15.9990 -15.9990 -15.9880 -15.9880 3.9352 3.9352 3.9431 3.9431 10.7860 10.7860 10.8675 10.8675 11.7568 11.7568 11.8126 11.8126 12.2941 12.2941 12.3459 12.3459 15.4032 15.4032 15.6703 15.6703 17.5487 17.5487 17.5676 17.5676 18.4592 18.4592 18.6557 18.6557 k = 0.5000 0.2067 0.4826 ( 2110 PWs) bands (ev): -51.7783 -51.7783 -51.7783 -51.7783 -24.7268 -24.7268 -24.7268 -24.7268 -16.2171 -16.2171 -16.2066 -16.2066 -15.9980 -15.9980 -15.9869 -15.9869 3.8702 3.8702 3.8778 3.8778 10.8803 10.8803 10.9697 10.9697 11.7836 11.7836 11.8295 11.8295 12.3122 12.3122 12.3651 12.3651 15.4206 15.4206 15.6834 15.6834 17.4303 17.4303 17.4476 17.4476 18.4263 18.4263 18.5991 18.5991 k = 0.5000 0.2067 0.4633 ( 2106 PWs) bands (ev): -51.7786 -51.7786 -51.7786 -51.7786 -24.7252 -24.7252 -24.7252 -24.7252 -16.2110 -16.2110 -16.2004 -16.2004 -15.9970 -15.9970 -15.9859 -15.9859 3.8054 3.8054 3.8125 3.8125 10.9711 10.9711 11.0699 11.0699 11.8195 11.8195 11.8530 11.8530 12.3346 12.3346 12.3877 12.3877 15.4363 15.4363 15.6942 15.6942 17.3122 17.3122 17.3281 17.3281 18.3889 18.3889 18.5390 18.5390 k = 0.5000 0.2067 0.4440 ( 2108 PWs) bands (ev): -51.7790 -51.7790 -51.7790 -51.7790 -24.7238 -24.7238 -24.7237 -24.7237 -16.2050 -16.2050 -16.1944 -16.1944 -15.9960 -15.9960 -15.9849 -15.9849 3.7410 3.7410 3.7478 3.7478 11.0560 11.0560 11.1652 11.1652 11.8657 11.8657 11.8847 11.8847 12.3622 12.3622 12.4143 12.4143 15.4503 15.4503 15.7027 15.7027 17.1948 17.1948 17.2095 17.2095 18.3468 18.3468 18.4758 18.4758 k = 0.5000 0.2067 0.4246 ( 2112 PWs) bands (ev): -51.7793 -51.7793 -51.7793 -51.7793 -24.7224 -24.7224 -24.7223 -24.7223 -16.1991 -16.1991 -16.1885 -16.1885 -15.9951 -15.9951 -15.9840 -15.9840 3.6774 3.6774 3.6838 3.6838 11.1328 11.1328 11.2523 11.2523 11.9230 11.9230 11.9260 11.9260 12.3962 12.3962 12.4460 12.4460 15.4628 15.4628 15.7087 15.7087 17.0786 17.0786 17.0922 17.0922 18.3000 18.3000 18.4098 18.4098 k = 0.5000 0.2067 0.4053 ( 2116 PWs) bands (ev): -51.7796 -51.7796 -51.7796 -51.7796 -24.7210 -24.7210 -24.7209 -24.7209 -16.1932 -16.1932 -16.1828 -16.1828 -15.9941 -15.9941 -15.9832 -15.9832 3.6149 3.6149 3.6210 3.6210 11.1999 11.1999 11.3285 11.3285 11.9770 11.9770 11.9904 11.9904 12.4387 12.4387 12.4845 12.4845 15.4736 15.4736 15.7124 15.7124 16.9641 16.9641 16.9766 16.9766 18.2485 18.2485 18.3410 18.3410 k = 0.5000 0.2067 0.3860 ( 2118 PWs) bands (ev): -51.7799 -51.7799 -51.7799 -51.7799 -24.7196 -24.7196 -24.7196 -24.7196 -16.1875 -16.1875 -16.1771 -16.1771 -15.9932 -15.9932 -15.9823 -15.9823 3.5538 3.5538 3.5595 3.5595 11.2571 11.2571 11.3921 11.3921 12.0360 12.0360 12.0650 12.0650 12.4925 12.4925 12.5324 12.5324 15.4830 15.4830 15.7138 15.7138 16.8517 16.8517 16.8631 16.8631 18.1923 18.1923 18.2696 18.2696 k = 0.5000 0.2067 0.3667 ( 2108 PWs) bands (ev): -51.7802 -51.7802 -51.7802 -51.7802 -24.7182 -24.7182 -24.7181 -24.7181 -16.1819 -16.1819 -16.1716 -16.1716 -15.9922 -15.9922 -15.9814 -15.9814 3.4942 3.4942 3.4996 3.4996 11.3052 11.3052 11.4434 11.4434 12.0991 12.0991 12.1421 12.1421 12.5608 12.5608 12.5932 12.5932 15.4908 15.4908 15.7129 15.7129 16.7418 16.7418 16.7521 16.7521 18.1316 18.1316 18.1954 18.1954 k = 0.5000 0.2067 0.3474 ( 2108 PWs) bands (ev): -51.7805 -51.7805 -51.7805 -51.7805 -24.7169 -24.7169 -24.7168 -24.7168 -16.1764 -16.1764 -16.1663 -16.1663 -15.9913 -15.9913 -15.9807 -15.9807 3.4365 3.4365 3.4416 3.4416 11.3456 11.3456 11.4840 11.4840 12.1611 12.1611 12.2159 12.2159 12.6463 12.6463 12.6707 12.6707 15.4973 15.4973 15.7097 15.7097 16.6349 16.6349 16.6439 16.6439 18.0664 18.0664 18.1184 18.1184 k = 0.5000 0.2067 0.3281 ( 2100 PWs) bands (ev): -51.7807 -51.7807 -51.7807 -51.7807 -24.7155 -24.7155 -24.7155 -24.7155 -16.1711 -16.1711 -16.1611 -16.1611 -15.9903 -15.9903 -15.9800 -15.9800 3.3809 3.3809 3.3856 3.3856 11.3798 11.3798 11.5161 11.5161 12.2184 12.2184 12.2817 12.2817 12.7498 12.7498 12.7671 12.7671 15.5026 15.5026 15.7044 15.7044 16.5314 16.5314 16.5389 16.5389 17.9966 17.9966 18.0383 18.0383 k = 0.5000 0.2067 0.3088 ( 2104 PWs) bands (ev): -51.7810 -51.7810 -51.7810 -51.7810 -24.7144 -24.7144 -24.7144 -24.7144 -16.1660 -16.1660 -16.1563 -16.1563 -15.9895 -15.9895 -15.9793 -15.9793 3.3275 3.3275 3.3319 3.3319 11.4092 11.4092 11.5417 11.5417 12.2697 12.2697 12.3382 12.3382 12.8699 12.8699 12.8817 12.8817 15.5066 15.5066 15.6970 15.6970 16.4318 16.4318 16.4376 16.4376 17.9223 17.9223 17.9548 17.9548 k = 0.5000 0.2067 0.2895 ( 2106 PWs) bands (ev): -51.7813 -51.7813 -51.7813 -51.7813 -24.7133 -24.7133 -24.7132 -24.7132 -16.1611 -16.1611 -16.1517 -16.1517 -15.9886 -15.9886 -15.9788 -15.9788 3.2765 3.2765 3.2806 3.2806 11.4351 11.4351 11.5626 11.5626 12.3154 12.3154 12.3864 12.3864 13.0035 13.0035 13.0117 13.0117 15.5097 15.5097 15.6876 15.6876 16.3366 16.3366 16.3403 16.3403 17.8433 17.8433 17.8678 17.8678 k = 0.5000 0.2067 0.2702 ( 2108 PWs) bands (ev): -51.7815 -51.7815 -51.7815 -51.7815 -24.7122 -24.7122 -24.7122 -24.7122 -16.1565 -16.1565 -16.1474 -16.1474 -15.9878 -15.9878 -15.9783 -15.9783 3.2281 3.2281 3.2319 3.2319 11.4582 11.4582 11.5799 11.5799 12.3568 12.3568 12.4281 12.4281 13.1476 13.1476 13.1533 13.1533 15.5119 15.5119 15.6763 15.6763 16.2465 16.2465 16.2476 16.2476 17.7594 17.7594 17.7770 17.7770 k = 0.5000 0.2067 0.2509 ( 2108 PWs) bands (ev): -51.7817 -51.7817 -51.7817 -51.7817 -24.7112 -24.7112 -24.7112 -24.7112 -16.1520 -16.1520 -16.1433 -16.1433 -15.9869 -15.9869 -15.9779 -15.9779 3.1825 3.1825 3.1859 3.1859 11.4792 11.4792 11.5945 11.5945 12.3950 12.3950 12.4651 12.4651 13.2992 13.2992 13.3032 13.3032 15.5134 15.5134 15.6631 15.6631 16.1599 16.1599 16.1621 16.1621 17.6704 17.6704 17.6820 17.6820 k = 0.5000 0.2067 0.2316 ( 2104 PWs) bands (ev): -51.7819 -51.7819 -51.7819 -51.7819 -24.7102 -24.7102 -24.7102 -24.7102 -16.1477 -16.1477 -16.1394 -16.1394 -15.9861 -15.9861 -15.9774 -15.9774 3.1397 3.1397 3.1429 3.1429 11.4985 11.4985 11.6068 11.6068 12.4306 12.4306 12.4986 12.4986 13.4559 13.4559 13.4588 13.4588 15.5144 15.5144 15.6483 15.6483 16.0781 16.0781 16.0841 16.0841 17.5762 17.5762 17.5827 17.5827 k = 0.5000 0.2067 0.2123 ( 2104 PWs) bands (ev): -51.7821 -51.7821 -51.7821 -51.7821 -24.7094 -24.7094 -24.7093 -24.7093 -16.1437 -16.1437 -16.1359 -16.1359 -15.9853 -15.9853 -15.9771 -15.9771 3.1000 3.1000 3.1029 3.1029 11.5165 11.5165 11.6173 11.6173 12.4642 12.4642 12.5293 12.5293 13.6157 13.6157 13.6178 13.6178 15.5150 15.5150 15.6319 15.6319 16.0027 16.0027 16.0135 16.0135 17.4765 17.4765 17.4788 17.4788 k = 0.5000 0.2067 0.1930 ( 2104 PWs) bands (ev): -51.7823 -51.7823 -51.7823 -51.7823 -24.7085 -24.7085 -24.7085 -24.7085 -16.1400 -16.1400 -16.1327 -16.1327 -15.9845 -15.9845 -15.9769 -15.9769 3.0633 3.0633 3.0659 3.0659 11.5332 11.5332 11.6262 11.6262 12.4959 12.4959 12.5574 12.5574 13.7764 13.7764 13.7780 13.7780 15.5154 15.5154 15.6142 15.6142 15.9346 15.9346 15.9511 15.9511 17.3701 17.3701 17.3714 17.3714 k = 0.5000 0.2067 0.1737 ( 2100 PWs) bands (ev): -51.7824 -51.7824 -51.7824 -51.7824 -24.7078 -24.7078 -24.7077 -24.7077 -16.1365 -16.1365 -16.1297 -16.1297 -15.9837 -15.9837 -15.9767 -15.9767 3.0299 3.0299 3.0322 3.0322 11.5489 11.5489 11.6337 11.6337 12.5259 12.5259 12.5832 12.5832 13.9361 13.9361 13.9375 13.9375 15.5159 15.5159 15.5957 15.5957 15.8752 15.8752 15.8977 15.8977 17.2566 17.2566 17.2608 17.2608 k = 0.5000 0.2067 0.1544 ( 2100 PWs) bands (ev): -51.7826 -51.7826 -51.7826 -51.7826 -24.7071 -24.7071 -24.7071 -24.7071 -16.1333 -16.1333 -16.1271 -16.1271 -15.9830 -15.9830 -15.9766 -15.9766 2.9998 2.9998 3.0018 3.0018 11.5635 11.5635 11.6398 11.6398 12.5541 12.5541 12.6067 12.6067 14.0925 14.0925 14.0940 14.0940 15.5166 15.5166 15.5773 15.5773 15.8257 15.8257 15.8543 15.8543 17.1385 17.1385 17.1450 17.1450 k = 0.5000 0.2067 0.1351 ( 2092 PWs) bands (ev): -51.7827 -51.7827 -51.7827 -51.7827 -24.7064 -24.7064 -24.7064 -24.7064 -16.1303 -16.1303 -16.1248 -16.1248 -15.9822 -15.9822 -15.9766 -15.9766 2.9730 2.9730 2.9748 2.9748 11.5770 11.5770 11.6445 11.6445 12.5803 12.5803 12.6277 12.6277 14.2429 14.2429 14.2446 14.2446 15.5176 15.5176 15.5604 15.5604 15.7882 15.7882 15.8215 15.8215 17.0161 17.0161 17.0243 17.0243 k = 0.5000 0.2067 0.1158 ( 2086 PWs) bands (ev): -51.7828 -51.7828 -51.7828 -51.7828 -24.7058 -24.7058 -24.7058 -24.7058 -16.1277 -16.1277 -16.1229 -16.1229 -15.9815 -15.9815 -15.9765 -15.9765 2.9497 2.9497 2.9513 2.9513 11.5896 11.5896 11.6480 11.6480 12.6044 12.6044 12.6460 12.6460 14.3839 14.3839 14.3859 14.3859 15.5192 15.5192 15.5467 15.5467 15.7651 15.7651 15.8004 15.8004 16.8899 16.8899 16.8993 16.8993 k = 0.5000 0.2067 0.0965 ( 2086 PWs) bands (ev): -51.7829 -51.7829 -51.7829 -51.7829 -24.7054 -24.7054 -24.7054 -24.7054 -16.1254 -16.1254 -16.1213 -16.1213 -15.9809 -15.9809 -15.9767 -15.9767 2.9299 2.9299 2.9312 2.9312 11.6011 11.6011 11.6501 11.6501 12.6259 12.6259 12.6613 12.6613 14.5113 14.5113 14.5138 14.5138 15.5213 15.5213 15.5378 15.5378 15.7595 15.7595 15.7926 15.7926 16.7610 16.7610 16.7712 16.7712 k = 0.5000 0.2067 0.0772 ( 2086 PWs) bands (ev): -51.7829 -51.7829 -51.7829 -51.7829 -24.7050 -24.7050 -24.7050 -24.7050 -16.1234 -16.1234 -16.1201 -16.1201 -15.9802 -15.9802 -15.9768 -15.9768 2.9137 2.9137 2.9147 2.9147 11.6115 11.6115 11.6510 11.6510 12.6447 12.6447 12.6736 12.6736 14.6205 14.6205 14.6235 14.6235 15.5238 15.5238 15.5341 15.5341 15.7745 15.7745 15.8011 15.8011 16.6311 16.6311 16.6414 16.6414 k = 0.5000 0.2067 0.0579 ( 2090 PWs) bands (ev): -51.7830 -51.7830 -51.7830 -51.7830 -24.7048 -24.7048 -24.7048 -24.7048 -16.1218 -16.1218 -16.1193 -16.1193 -15.9797 -15.9797 -15.9771 -15.9771 2.9010 2.9010 2.9018 2.9018 11.6207 11.6207 11.6505 11.6505 12.6606 12.6606 12.6826 12.6826 14.7075 14.7075 14.7104 14.7104 15.5266 15.5266 15.5340 15.5340 15.8119 15.8119 15.8293 15.8293 16.5026 16.5026 16.5126 16.5126 k = 0.5000 0.2067 0.0386 ( 2090 PWs) bands (ev): -51.7831 -51.7831 -51.7831 -51.7831 -24.7046 -24.7046 -24.7046 -24.7046 -16.1205 -16.1205 -16.1188 -16.1188 -15.9791 -15.9791 -15.9774 -15.9774 2.8920 2.8920 2.8925 2.8925 11.6288 11.6288 11.6488 11.6488 12.6732 12.6732 12.6880 12.6880 14.7697 14.7697 14.7720 14.7720 15.5295 15.5295 15.5351 15.5351 15.8695 15.8695 15.8780 15.8780 16.3808 16.3808 16.3895 16.3895 k = 0.5000 0.2067 0.0193 ( 2086 PWs) bands (ev): -51.7831 -51.7831 -51.7831 -51.7831 -24.7044 -24.7044 -24.7044 -24.7044 -16.1195 -16.1195 -16.1187 -16.1187 -15.9786 -15.9786 -15.9777 -15.9777 2.8867 2.8867 2.8869 2.8869 11.6357 11.6357 11.6457 11.6457 12.6823 12.6823 12.6898 12.6898 14.8066 14.8066 14.8079 14.8079 15.5321 15.5321 15.5353 15.5353 15.9357 15.9357 15.9378 15.9378 16.2780 16.2780 16.2839 16.2839 k = 0.5000 0.2067 0.0000 ( 2082 PWs) bands (ev): -51.7831 -51.7831 -51.7831 -51.7831 -24.7043 -24.7043 -24.7043 -24.7043 -16.1189 -16.1189 -16.1189 -16.1189 -15.9781 -15.9781 -15.9781 -15.9781 2.8850 2.8850 2.8850 2.8850 11.6413 11.6413 11.6413 11.6413 12.6879 12.6879 12.6879 12.6879 14.8192 14.8192 14.8192 14.8192 15.5342 15.5342 15.5342 15.5342 15.9721 15.9721 15.9721 15.9721 16.2321 16.2321 16.2321 16.2321 k = 0.0000 0.0000 1.3086 ( 2098 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3892 -16.3892 -16.3892 -16.3892 -16.0219 -16.0219 -16.0219 -16.0219 4.4712 4.4712 4.4712 4.4712 11.5629 11.5629 11.5629 11.5629 12.2184 12.2184 12.2184 12.2184 13.3166 13.3166 13.3166 13.3166 14.0416 14.0416 14.0416 14.0416 17.1521 17.1521 17.1521 17.1521 18.1520 18.1520 18.1520 18.1520 k = 0.0179 0.0074 1.3086 ( 2102 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3900 -16.3900 -16.3885 -16.3885 -16.0227 -16.0227 -16.0212 -16.0212 4.4709 4.4709 4.4716 4.4716 11.5351 11.5351 11.5924 11.5924 12.1950 12.1950 12.2436 12.2436 13.2811 13.2811 13.3360 13.3360 14.0280 14.0280 14.0728 14.0728 17.1413 17.1413 17.1500 17.1500 18.1509 18.1509 18.1536 18.1536 k = 0.0357 0.0148 1.3086 ( 2098 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3907 -16.3907 -16.3877 -16.3877 -16.0234 -16.0234 -16.0204 -16.0204 4.4705 4.4705 4.4720 4.4720 11.5092 11.5092 11.6236 11.6236 12.1735 12.1735 12.2706 12.2706 13.2335 13.2335 13.3366 13.3366 14.0345 14.0345 14.1176 14.1176 17.1182 17.1182 17.1354 17.1354 18.1506 18.1506 18.1558 18.1558 k = 0.0536 0.0221 1.3086 ( 2102 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3914 -16.3914 -16.3870 -16.3870 -16.0242 -16.0242 -16.0197 -16.0197 4.4701 4.4701 4.4723 4.4723 11.4852 11.4852 11.6563 11.6563 12.1536 12.1536 12.2994 12.2994 13.1781 13.1781 13.3193 13.3193 14.0599 14.0599 14.1718 14.1718 17.0842 17.0842 17.1090 17.1090 18.1509 18.1509 18.1583 18.1583 k = 0.0714 0.0295 1.3086 ( 2102 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3921 -16.3921 -16.3863 -16.3863 -16.0249 -16.0249 -16.0190 -16.0190 4.4698 4.4698 4.4727 4.4727 11.4632 11.4632 11.6903 11.6903 12.1355 12.1355 12.3301 12.3301 13.1182 13.1182 13.2874 13.2874 14.1004 14.1004 14.2319 14.2319 17.0411 17.0411 17.0726 17.0726 18.1517 18.1517 18.1608 18.1608 k = 0.0893 0.0369 1.3086 ( 2100 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3927 -16.3927 -16.3856 -16.3856 -16.0256 -16.0256 -16.0183 -16.0183 4.4695 4.4695 4.4730 4.4730 11.4432 11.4432 11.7254 11.7254 12.1190 12.1190 12.3627 12.3627 13.0562 13.0562 13.2451 13.2451 14.1513 14.1513 14.2951 14.2951 16.9910 16.9910 17.0283 17.0283 18.1528 18.1528 18.1633 18.1633 k = 0.1071 0.0443 1.3086 ( 2100 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7739 -24.7739 -16.3933 -16.3933 -16.3850 -16.3850 -16.0263 -16.0263 -16.0177 -16.0177 4.4692 4.4692 4.4733 4.4733 11.4253 11.4253 11.7612 11.7612 12.1041 12.1041 12.3971 12.3971 12.9942 12.9942 13.1962 13.1962 14.2079 14.2079 14.3593 14.3593 16.9362 16.9362 16.9783 16.9783 18.1541 18.1541 18.1656 18.1656 k = 0.1250 0.0517 1.3086 ( 2094 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3939 -16.3939 -16.3844 -16.3844 -16.0268 -16.0268 -16.0170 -16.0170 4.4689 4.4689 4.4736 4.4736 11.4094 11.4094 11.7974 11.7974 12.0908 12.0908 12.4333 12.4333 12.9336 12.9336 13.1435 13.1435 14.2668 14.2668 14.4225 14.4225 16.8793 16.8793 16.9254 16.9254 18.1554 18.1554 18.1676 18.1676 k = 0.1429 0.0591 1.3086 ( 2094 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3944 -16.3944 -16.3838 -16.3838 -16.0273 -16.0273 -16.0165 -16.0165 4.4686 4.4686 4.4739 4.4739 11.3956 11.3956 11.8333 11.8333 12.0789 12.0789 12.4712 12.4712 12.8759 12.8759 13.0889 13.0889 14.3248 14.3248 14.4828 14.4828 16.8228 16.8228 16.8720 16.8720 18.1567 18.1567 18.1693 18.1693 k = 0.1607 0.0664 1.3086 ( 2090 PWs) bands (ev): -51.7672 -51.7672 -51.7672 -51.7672 -24.7738 -24.7738 -24.7737 -24.7737 -16.3948 -16.3948 -16.3834 -16.3834 -16.0277 -16.0277 -16.0160 -16.0160 4.4684 4.4684 4.4741 4.4741 11.3839 11.3839 11.8682 11.8682 12.0682 12.0682 12.5108 12.5108 12.8224 12.8224 13.0337 13.0337 14.3793 14.3793 14.5385 14.5385 16.7691 16.7691 16.8207 16.8207 18.1578 18.1578 18.1707 18.1707 k = 0.1786 0.0738 1.3086 ( 2098 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3952 -16.3952 -16.3831 -16.3831 -16.0282 -16.0282 -16.0157 -16.0157 4.4682 4.4682 4.4743 4.4743 11.3743 11.3743 11.9012 11.9012 12.0585 12.0585 12.5517 12.5517 12.7748 12.7748 12.9792 12.9792 14.4279 14.4279 14.5876 14.5876 16.7207 16.7207 16.7742 16.7742 18.1588 18.1588 18.1719 18.1719 k = 0.1964 0.0812 1.3086 ( 2098 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3954 -16.3954 -16.3827 -16.3827 -16.0285 -16.0285 -16.0154 -16.0154 4.4681 4.4681 4.4744 4.4744 11.3668 11.3668 11.9310 11.9310 12.0497 12.0497 12.5934 12.5934 12.7347 12.7347 12.9264 12.9264 14.4686 14.4686 14.6283 14.6283 16.6800 16.6800 16.7348 16.7348 18.1595 18.1595 18.1727 18.1727 k = 0.2143 0.0886 1.3086 ( 2096 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3956 -16.3956 -16.3825 -16.3825 -16.0287 -16.0287 -16.0152 -16.0152 4.4680 4.4680 4.4745 4.4745 11.3615 11.3615 11.9563 11.9563 12.0413 12.0413 12.6343 12.6343 12.7040 12.7040 12.8773 12.8773 14.4992 14.4992 14.6590 14.6590 16.6491 16.6491 16.7049 16.7049 18.1601 18.1601 18.1733 18.1733 k = 0.2321 0.0960 1.3086 ( 2092 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7737 -24.7737 -16.3957 -16.3957 -16.3823 -16.3823 -16.0288 -16.0288 -16.0151 -16.0151 4.4679 4.4679 4.4746 4.4746 11.3583 11.3583 11.9748 11.9748 12.0338 12.0338 12.6701 12.6701 12.6847 12.6847 12.8366 12.8366 14.5183 14.5183 14.6780 14.6780 16.6298 16.6298 16.6861 16.6861 18.1604 18.1604 18.1736 18.1736 k = 0.2500 0.1034 1.3086 ( 2096 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.7739 -24.7739 -24.7738 -24.7738 -16.3958 -16.3958 -16.3823 -16.3823 -16.0289 -16.0289 -16.0151 -16.0151 4.4679 4.4679 4.4746 4.4746 11.3572 11.3572 11.9825 11.9825 12.0299 12.0299 12.6780 12.6780 12.6868 12.6868 12.8182 12.8182 14.5248 14.5248 14.6845 14.6845 16.6232 16.6232 16.6797 16.6797 18.1605 18.1605 18.1737 18.1737 Writing output data file TaP.save init_run : 0.22s CPU 0.37s WALL ( 1 calls) electrons : 166.22s CPU 168.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 166.22s CPU 168.74s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 406 calls) cegterg : 149.72s CPU 151.81s WALL ( 406 calls) Called by sum_band: Called by *egterg: h_psi : 107.36s CPU 108.82s WALL ( 7525 calls) s_psi : 4.21s CPU 4.03s WALL ( 7525 calls) g_psi : 0.11s CPU 0.11s WALL ( 6713 calls) cdiaghg : 43.93s CPU 44.84s WALL ( 7119 calls) cegterg:over : 3.13s CPU 3.30s WALL ( 6713 calls) cegterg:upda : 2.17s CPU 2.26s WALL ( 6713 calls) cegterg:last : 1.34s CPU 1.30s WALL ( 1218 calls) cdiaghg:chol : 2.14s CPU 2.40s WALL ( 7119 calls) cdiaghg:inve : 1.59s CPU 1.52s WALL ( 7119 calls) cdiaghg:para : 2.41s CPU 2.58s WALL ( 14238 calls) Called by h_psi: h_psi:vloc : 98.88s CPU 100.34s WALL ( 7525 calls) h_psi:vnl : 8.37s CPU 8.38s WALL ( 7525 calls) add_vuspsi : 4.74s CPU 4.73s WALL ( 7525 calls) General routines calbec : 3.61s CPU 3.63s WALL ( 7525 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.93s CPU 94.49s WALL ( 745692 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.13s WALL ( 812 calls) Parallel routines fft_scatter : 27.69s CPU 28.13s WALL ( 745715 calls) PWSCF : 2m59.85s CPU 3m29.94s WALL This run was terminated on: 21:17:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=