Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:24: 3 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: ./CoHO2.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 32 32 9 568 558 90 Max 33 33 10 571 567 92 Sum 1183 1161 343 20507 20231 3265 bravais-lattice index = 14 lattice parameter (alat) = 8.8481 a.u. unit-cell volume = 208.2217 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.848078 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.814619 celldm(5)= 0.814619 celldm(6)= 0.814619 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.814619 0.579996 0.000000 ) a(3) = ( 0.814619 0.260372 0.518268 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.404526 -0.866193 ) b(2) = ( 0.000000 1.724150 -0.866193 ) b(3) = ( 0.000000 0.000000 1.929504 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Co 17.00 58.93320 Co( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 431 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023202 k( 2) = ( 0.0076923 -0.0108041 -0.0066630), wk = 0.0023202 k( 3) = ( 0.0153846 -0.0216081 -0.0133261), wk = 0.0023202 k( 4) = ( 0.0230769 -0.0324121 -0.0199891), wk = 0.0023202 k( 5) = ( 0.0307692 -0.0432162 -0.0266521), wk = 0.0023202 k( 6) = ( 0.0384615 -0.0540202 -0.0333151), wk = 0.0023202 k( 7) = ( 0.0461539 -0.0648243 -0.0399782), wk = 0.0023202 k( 8) = ( 0.0538462 -0.0756283 -0.0466412), wk = 0.0023202 k( 9) = ( 0.0615385 -0.0864324 -0.0533042), wk = 0.0023202 k( 10) = ( 0.0692308 -0.0972364 -0.0599672), wk = 0.0023202 k( 11) = ( 0.0769231 -0.1080405 -0.0666303), wk = 0.0023202 k( 12) = ( 0.0846154 -0.1188445 -0.0732933), wk = 0.0023202 k( 13) = ( 0.0923077 -0.1296486 -0.0799563), wk = 0.0023202 k( 14) = ( 0.1000000 -0.1404526 -0.0866193), wk = 0.0023202 k( 15) = ( 0.1076923 -0.1512567 -0.0932824), wk = 0.0023202 k( 16) = ( 0.1153846 -0.1620607 -0.0999454), wk = 0.0023202 k( 17) = ( 0.1230769 -0.1728648 -0.1066084), wk = 0.0023202 k( 18) = ( 0.1307692 -0.1836688 -0.1132714), wk = 0.0023202 k( 19) = ( 0.1384615 -0.1944729 -0.1199345), wk = 0.0023202 k( 20) = ( 0.1461539 -0.2052769 -0.1265975), wk = 0.0023202 k( 21) = ( 0.1538461 -0.2160810 -0.1332605), wk = 0.0023202 k( 22) = ( 0.1615385 -0.2268850 -0.1399235), wk = 0.0023202 k( 23) = ( 0.1692308 -0.2376891 -0.1465866), wk = 0.0023202 k( 24) = ( 0.1769231 -0.2484931 -0.1532496), wk = 0.0023202 k( 25) = ( 0.1846154 -0.2592972 -0.1599126), wk = 0.0023202 k( 26) = ( 0.1923077 -0.2701012 -0.1665756), wk = 0.0023202 k( 27) = ( 0.2000000 -0.2809053 -0.1732387), wk = 0.0023202 k( 28) = ( 0.2076923 -0.2917093 -0.1799017), wk = 0.0023202 k( 29) = ( 0.2153846 -0.3025134 -0.1865647), wk = 0.0023202 k( 30) = ( 0.2230769 -0.3133174 -0.1932277), wk = 0.0023202 k( 31) = ( 0.2307692 -0.3241214 -0.1998908), wk = 0.0023202 k( 32) = ( 0.2384615 -0.3349255 -0.2065538), wk = 0.0023202 k( 33) = ( 0.2461539 -0.3457296 -0.2132168), wk = 0.0023202 k( 34) = ( 0.2538461 -0.3565336 -0.2198798), wk = 0.0023202 k( 35) = ( 0.2615385 -0.3673376 -0.2265429), wk = 0.0023202 k( 36) = ( 0.2692308 -0.3781417 -0.2332059), wk = 0.0023202 k( 37) = ( 0.2769231 -0.3889457 -0.2398689), wk = 0.0023202 k( 38) = ( 0.2846154 -0.3997498 -0.2465320), wk = 0.0023202 k( 39) = ( 0.2923077 -0.4105538 -0.2531950), wk = 0.0023202 k( 40) = ( 0.3000000 -0.4213579 -0.2598580), wk = 0.0023202 k( 41) = ( 0.3076923 -0.4321619 -0.2665210), wk = 0.0023202 k( 42) = ( 0.3153846 -0.4429660 -0.2731841), wk = 0.0023202 k( 43) = ( 0.3230769 -0.4537700 -0.2798471), wk = 0.0023202 k( 44) = ( 0.3307692 -0.4645741 -0.2865101), wk = 0.0023202 k( 45) = ( 0.3384615 -0.4753781 -0.2931731), wk = 0.0023202 k( 46) = ( 0.3461538 -0.4861822 -0.2998362), wk = 0.0023202 k( 47) = ( 0.3538462 -0.4969862 -0.3064992), wk = 0.0023202 k( 48) = ( 0.3615385 -0.5077903 -0.3131622), wk = 0.0023202 k( 49) = ( 0.3692308 -0.5185943 -0.3198252), wk = 0.0023202 k( 50) = ( 0.3769231 -0.5293984 -0.3264883), wk = 0.0023202 k( 51) = ( 0.3846154 -0.5402024 -0.3331513), wk = 0.0023202 k( 52) = ( 0.3923077 -0.5510065 -0.3398143), wk = 0.0023202 k( 53) = ( 0.4000000 -0.5618105 -0.3464773), wk = 0.0023202 k( 54) = ( 0.4076923 -0.5726146 -0.3531404), wk = 0.0023202 k( 55) = ( 0.4153846 -0.5834186 -0.3598034), wk = 0.0023202 k( 56) = ( 0.4230769 -0.5942227 -0.3664664), wk = 0.0023202 k( 57) = ( 0.4307692 -0.6050267 -0.3731294), wk = 0.0023202 k( 58) = ( 0.4384615 -0.6158308 -0.3797925), wk = 0.0023202 k( 59) = ( 0.4461539 -0.6266348 -0.3864555), wk = 0.0023202 k( 60) = ( 0.4538462 -0.6374388 -0.3931185), wk = 0.0023202 k( 61) = ( 0.4615385 -0.6482429 -0.3997815), wk = 0.0023202 k( 62) = ( 0.4692308 -0.6590469 -0.4064446), wk = 0.0023202 k( 63) = ( 0.4769231 -0.6698510 -0.4131076), wk = 0.0023202 k( 64) = ( 0.4846154 -0.6806550 -0.4197706), wk = 0.0023202 k( 65) = ( 0.4923077 -0.6914591 -0.4264337), wk = 0.0023202 k( 66) = ( 0.5000000 -0.7022631 -0.4330967), wk = 0.0023202 k( 67) = ( 0.5000000 -0.7022631 -0.4330967), wk = 0.0023202 k( 68) = ( 0.5000000 -0.6944565 -0.4457551), wk = 0.0023202 k( 69) = ( 0.5000000 -0.6866498 -0.4584136), wk = 0.0023202 k( 70) = ( 0.5000000 -0.6788431 -0.4710721), wk = 0.0023202 k( 71) = ( 0.5000000 -0.6710365 -0.4837305), wk = 0.0023202 k( 72) = ( 0.5000000 -0.6632298 -0.4963890), wk = 0.0023202 k( 73) = ( 0.5000000 -0.6554231 -0.5090474), wk = 0.0023202 k( 74) = ( 0.5000000 -0.6476165 -0.5217059), wk = 0.0023202 k( 75) = ( 0.5000000 -0.6398098 -0.5343644), wk = 0.0023202 k( 76) = ( 0.5000000 -0.6320031 -0.5470228), wk = 0.0023202 k( 77) = ( 0.5000000 -0.6241964 -0.5596813), wk = 0.0023202 k( 78) = ( 0.5000000 -0.6163898 -0.5723397), wk = 0.0023202 k( 79) = ( 0.5000000 -0.6085831 -0.5849982), wk = 0.0023202 k( 80) = ( 0.5000000 -0.6007764 -0.5976566), wk = 0.0023202 k( 81) = ( 0.5000000 -0.5929698 -0.6103151), wk = 0.0023202 k( 82) = ( 0.5000000 -0.5851631 -0.6229736), wk = 0.0023202 k( 83) = ( 0.5000000 -0.5773564 -0.6356320), wk = 0.0023202 k( 84) = ( 0.5000000 -0.5695498 -0.6482905), wk = 0.0023202 k( 85) = ( 0.5000000 -0.5617431 -0.6609489), wk = 0.0023202 k( 86) = ( 0.5000000 -0.5539364 -0.6736074), wk = 0.0023202 k( 87) = ( 0.5000000 -0.5461297 -0.6862658), wk = 0.0023202 k( 88) = ( 0.5000000 -0.5383231 -0.6989243), wk = 0.0023202 k( 89) = ( 0.5000000 -0.5305164 -0.7115828), wk = 0.0023202 k( 90) = ( 0.5000000 -0.5227098 -0.7242412), wk = 0.0023202 k( 91) = ( 0.5000000 -0.5149031 -0.7368997), wk = 0.0023202 k( 92) = ( 0.5000000 -0.5070964 -0.7495581), wk = 0.0023202 k( 93) = ( 0.5000000 -0.4992897 -0.7622166), wk = 0.0023202 k( 94) = ( 0.5000000 -0.4914831 -0.7748750), wk = 0.0023202 k( 95) = ( 0.5000000 -0.4836764 -0.7875335), wk = 0.0023202 k( 96) = ( 0.5000000 -0.4758697 -0.8001920), wk = 0.0023202 k( 97) = ( 0.5000000 -0.4680631 -0.8128504), wk = 0.0023202 k( 98) = ( 0.5000000 -0.4602564 -0.8255089), wk = 0.0023202 k( 99) = ( 0.5000000 -0.4524497 -0.8381673), wk = 0.0023202 k( 100) = ( 0.5000000 -0.4446431 -0.8508258), wk = 0.0023202 k( 101) = ( 0.5000000 -0.4368364 -0.8634843), wk = 0.0023202 k( 102) = ( 0.5000000 -0.4290297 -0.8761427), wk = 0.0023202 k( 103) = ( 0.5000000 -0.4212230 -0.8888012), wk = 0.0023202 k( 104) = ( 0.5000000 -0.4134164 -0.9014596), wk = 0.0023202 k( 105) = ( 0.5000000 -0.4056097 -0.9141181), wk = 0.0023202 k( 106) = ( 0.5000000 -0.3978030 -0.9267765), wk = 0.0023202 k( 107) = ( 0.5000000 -0.3899964 -0.9394350), wk = 0.0023202 k( 108) = ( 0.5000000 -0.3821897 -0.9520935), wk = 0.0023202 k( 109) = ( 0.5000000 -0.3743830 -0.9647519), wk = 0.0023202 k( 110) = ( 0.8098309 -0.2753536 -0.7676348), wk = 0.0023202 k( 111) = ( 0.8053406 -0.2690469 -0.7550813), wk = 0.0023202 k( 112) = ( 0.8008503 -0.2627402 -0.7425278), wk = 0.0023202 k( 113) = ( 0.7963600 -0.2564334 -0.7299742), wk = 0.0023202 k( 114) = ( 0.7918697 -0.2501267 -0.7174207), wk = 0.0023202 k( 115) = ( 0.7873794 -0.2438199 -0.7048672), wk = 0.0023202 k( 116) = ( 0.7828891 -0.2375132 -0.6923136), wk = 0.0023202 k( 117) = ( 0.7783988 -0.2312064 -0.6797601), wk = 0.0023202 k( 118) = ( 0.7739085 -0.2248997 -0.6672066), wk = 0.0023202 k( 119) = ( 0.7694182 -0.2185929 -0.6546531), wk = 0.0023202 k( 120) = ( 0.7649279 -0.2122862 -0.6420995), wk = 0.0023202 k( 121) = ( 0.7604376 -0.2059794 -0.6295460), wk = 0.0023202 k( 122) = ( 0.7559473 -0.1996727 -0.6169925), wk = 0.0023202 k( 123) = ( 0.7514570 -0.1933659 -0.6044390), wk = 0.0023202 k( 124) = ( 0.7469666 -0.1870592 -0.5918854), wk = 0.0023202 k( 125) = ( 0.7424764 -0.1807524 -0.5793319), wk = 0.0023202 k( 126) = ( 0.7379860 -0.1744457 -0.5667784), wk = 0.0023202 k( 127) = ( 0.7334958 -0.1681389 -0.5542249), wk = 0.0023202 k( 128) = ( 0.7290054 -0.1618322 -0.5416713), wk = 0.0023202 k( 129) = ( 0.7245151 -0.1555254 -0.5291178), wk = 0.0023202 k( 130) = ( 0.7200248 -0.1492187 -0.5165643), wk = 0.0023202 k( 131) = ( 0.7155345 -0.1429119 -0.5040108), wk = 0.0023202 k( 132) = ( 0.7110442 -0.1366052 -0.4914572), wk = 0.0023202 k( 133) = ( 0.7065539 -0.1302984 -0.4789037), wk = 0.0023202 k( 134) = ( 0.7020636 -0.1239917 -0.4663502), wk = 0.0023202 k( 135) = ( 0.6975733 -0.1176849 -0.4537966), wk = 0.0023202 k( 136) = ( 0.6930830 -0.1113782 -0.4412431), wk = 0.0023202 k( 137) = ( 0.6885927 -0.1050714 -0.4286896), wk = 0.0023202 k( 138) = ( 0.6841024 -0.0987647 -0.4161361), wk = 0.0023202 k( 139) = ( 0.6796121 -0.0924579 -0.4035825), wk = 0.0023202 k( 140) = ( 0.6751218 -0.0861512 -0.3910290), wk = 0.0023202 k( 141) = ( 0.6706315 -0.0798445 -0.3784755), wk = 0.0023202 k( 142) = ( 0.6661412 -0.0735377 -0.3659219), wk = 0.0023202 k( 143) = ( 0.6616509 -0.0672310 -0.3533684), wk = 0.0023202 k( 144) = ( 0.6571606 -0.0609242 -0.3408149), wk = 0.0023202 k( 145) = ( 0.6526703 -0.0546175 -0.3282614), wk = 0.0023202 k( 146) = ( 0.6481800 -0.0483107 -0.3157078), wk = 0.0023202 k( 147) = ( 0.6436897 -0.0420040 -0.3031543), wk = 0.0023202 k( 148) = ( 0.6391994 -0.0356972 -0.2906008), wk = 0.0023202 k( 149) = ( 0.6347091 -0.0293905 -0.2780472), wk = 0.0023202 k( 150) = ( 0.6302188 -0.0230837 -0.2654937), wk = 0.0023202 k( 151) = ( 0.6257285 -0.0167770 -0.2529402), wk = 0.0023202 k( 152) = ( 0.6212382 -0.0104702 -0.2403867), wk = 0.0023202 k( 153) = ( 0.6167479 -0.0041635 -0.2278331), wk = 0.0023202 k( 154) = ( 0.6122576 0.0021433 -0.2152796), wk = 0.0023202 k( 155) = ( 0.6077673 0.0084500 -0.2027261), wk = 0.0023202 k( 156) = ( 0.6032770 0.0147568 -0.1901726), wk = 0.0023202 k( 157) = ( 0.5987867 0.0210635 -0.1776190), wk = 0.0023202 k( 158) = ( 0.5942964 0.0273703 -0.1650655), wk = 0.0023202 k( 159) = ( 0.5898061 0.0336770 -0.1525120), wk = 0.0023202 k( 160) = ( 0.5853158 0.0399838 -0.1399584), wk = 0.0023202 k( 161) = ( 0.5808254 0.0462905 -0.1274049), wk = 0.0023202 k( 162) = ( 0.5763352 0.0525973 -0.1148514), wk = 0.0023202 k( 163) = ( 0.5718448 0.0589040 -0.1022979), wk = 0.0023202 k( 164) = ( 0.5673545 0.0652108 -0.0897443), wk = 0.0023202 k( 165) = ( 0.5628642 0.0715175 -0.0771908), wk = 0.0023202 k( 166) = ( 0.5583739 0.0778243 -0.0646373), wk = 0.0023202 k( 167) = ( 0.5538836 0.0841310 -0.0520838), wk = 0.0023202 k( 168) = ( 0.5493933 0.0904378 -0.0395302), wk = 0.0023202 k( 169) = ( 0.5449030 0.0967445 -0.0269767), wk = 0.0023202 k( 170) = ( 0.5404127 0.1030512 -0.0144232), wk = 0.0023202 k( 171) = ( 0.5359224 0.1093580 -0.0018697), wk = 0.0023202 k( 172) = ( 0.5314321 0.1156647 0.0106839), wk = 0.0023202 k( 173) = ( 0.5269418 0.1219715 0.0232374), wk = 0.0023202 k( 174) = ( 0.5224515 0.1282782 0.0357909), wk = 0.0023202 k( 175) = ( 0.5179612 0.1345850 0.0483444), wk = 0.0023202 k( 176) = ( 0.5134709 0.1408917 0.0608980), wk = 0.0023202 k( 177) = ( 0.5089806 0.1471985 0.0734515), wk = 0.0023202 k( 178) = ( 0.5044903 0.1535052 0.0860050), wk = 0.0023202 k( 179) = ( 0.5000000 0.1598120 0.0985586), wk = 0.0023202 k( 180) = ( 0.5000000 0.1598120 0.0985586), wk = 0.0023202 k( 181) = ( 0.4861111 0.1553728 0.0958208), wk = 0.0023202 k( 182) = ( 0.4722222 0.1509335 0.0930831), wk = 0.0023202 k( 183) = ( 0.4583333 0.1464943 0.0903453), wk = 0.0023202 k( 184) = ( 0.4444444 0.1420551 0.0876076), wk = 0.0023202 k( 185) = ( 0.4305556 0.1376159 0.0848699), wk = 0.0023202 k( 186) = ( 0.4166667 0.1331767 0.0821321), wk = 0.0023202 k( 187) = ( 0.4027778 0.1287374 0.0793944), wk = 0.0023202 k( 188) = ( 0.3888889 0.1242982 0.0766567), wk = 0.0023202 k( 189) = ( 0.3750000 0.1198590 0.0739189), wk = 0.0023202 k( 190) = ( 0.3611111 0.1154198 0.0711812), wk = 0.0023202 k( 191) = ( 0.3472222 0.1109805 0.0684434), wk = 0.0023202 k( 192) = ( 0.3333333 0.1065413 0.0657057), wk = 0.0023202 k( 193) = ( 0.3194444 0.1021021 0.0629680), wk = 0.0023202 k( 194) = ( 0.3055556 0.0976629 0.0602302), wk = 0.0023202 k( 195) = ( 0.2916667 0.0932237 0.0574925), wk = 0.0023202 k( 196) = ( 0.2777778 0.0887844 0.0547548), wk = 0.0023202 k( 197) = ( 0.2638889 0.0843452 0.0520170), wk = 0.0023202 k( 198) = ( 0.2500000 0.0799060 0.0492793), wk = 0.0023202 k( 199) = ( 0.2361111 0.0754668 0.0465415), wk = 0.0023202 k( 200) = ( 0.2222222 0.0710275 0.0438038), wk = 0.0023202 k( 201) = ( 0.2083333 0.0665883 0.0410661), wk = 0.0023202 k( 202) = ( 0.1944444 0.0621491 0.0383283), wk = 0.0023202 k( 203) = ( 0.1805556 0.0577099 0.0355906), wk = 0.0023202 k( 204) = ( 0.1666667 0.0532707 0.0328529), wk = 0.0023202 k( 205) = ( 0.1527778 0.0488314 0.0301151), wk = 0.0023202 k( 206) = ( 0.1388889 0.0443922 0.0273774), wk = 0.0023202 k( 207) = ( 0.1250000 0.0399530 0.0246396), wk = 0.0023202 k( 208) = ( 0.1111111 0.0355138 0.0219019), wk = 0.0023202 k( 209) = ( 0.0972222 0.0310746 0.0191642), wk = 0.0023202 k( 210) = ( 0.0833333 0.0266353 0.0164264), wk = 0.0023202 k( 211) = ( 0.0694444 0.0221961 0.0136887), wk = 0.0023202 k( 212) = ( 0.0555556 0.0177569 0.0109510), wk = 0.0023202 k( 213) = ( 0.0416667 0.0133177 0.0082132), wk = 0.0023202 k( 214) = ( 0.0277778 0.0088784 0.0054755), wk = 0.0023202 k( 215) = ( 0.0138889 0.0044392 0.0027377), wk = 0.0023202 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023202 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023202 k( 218) = ( 0.0044816 -0.0062946 -0.0125293), wk = 0.0023202 k( 219) = ( 0.0089632 -0.0125891 -0.0250585), wk = 0.0023202 k( 220) = ( 0.0134448 -0.0188836 -0.0375877), wk = 0.0023202 k( 221) = ( 0.0179265 -0.0251782 -0.0501170), wk = 0.0023202 k( 222) = ( 0.0224081 -0.0314728 -0.0626462), wk = 0.0023202 k( 223) = ( 0.0268897 -0.0377673 -0.0751755), wk = 0.0023202 k( 224) = ( 0.0313713 -0.0440618 -0.0877047), wk = 0.0023202 k( 225) = ( 0.0358529 -0.0503564 -0.1002340), wk = 0.0023202 k( 226) = ( 0.0403346 -0.0566509 -0.1127632), wk = 0.0023202 k( 227) = ( 0.0448162 -0.0629455 -0.1252925), wk = 0.0023202 k( 228) = ( 0.0492978 -0.0692400 -0.1378217), wk = 0.0023202 k( 229) = ( 0.0537794 -0.0755346 -0.1503509), wk = 0.0023202 k( 230) = ( 0.0582610 -0.0818291 -0.1628802), wk = 0.0023202 k( 231) = ( 0.0627426 -0.0881237 -0.1754094), wk = 0.0023202 k( 232) = ( 0.0672243 -0.0944182 -0.1879387), wk = 0.0023202 k( 233) = ( 0.0717059 -0.1007128 -0.2004679), wk = 0.0023202 k( 234) = ( 0.0761875 -0.1070073 -0.2129972), wk = 0.0023202 k( 235) = ( 0.0806691 -0.1133019 -0.2255264), wk = 0.0023202 k( 236) = ( 0.0851507 -0.1195964 -0.2380557), wk = 0.0023202 k( 237) = ( 0.0896323 -0.1258910 -0.2505849), wk = 0.0023202 k( 238) = ( 0.0941140 -0.1321855 -0.2631142), wk = 0.0023202 k( 239) = ( 0.0985956 -0.1384801 -0.2756434), wk = 0.0023202 k( 240) = ( 0.1030772 -0.1447746 -0.2881726), wk = 0.0023202 k( 241) = ( 0.1075588 -0.1510692 -0.3007019), wk = 0.0023202 k( 242) = ( 0.1120404 -0.1573637 -0.3132311), wk = 0.0023202 k( 243) = ( 0.1165221 -0.1636583 -0.3257604), wk = 0.0023202 k( 244) = ( 0.1210037 -0.1699528 -0.3382896), wk = 0.0023202 k( 245) = ( 0.1254853 -0.1762474 -0.3508189), wk = 0.0023202 k( 246) = ( 0.1299669 -0.1825419 -0.3633481), wk = 0.0023202 k( 247) = ( 0.1344485 -0.1888365 -0.3758774), wk = 0.0023202 k( 248) = ( 0.1389301 -0.1951310 -0.3884066), wk = 0.0023202 k( 249) = ( 0.1434118 -0.2014256 -0.4009359), wk = 0.0023202 k( 250) = ( 0.1478934 -0.2077201 -0.4134651), wk = 0.0023202 k( 251) = ( 0.1523750 -0.2140147 -0.4259944), wk = 0.0023202 k( 252) = ( 0.1568566 -0.2203092 -0.4385236), wk = 0.0023202 k( 253) = ( 0.1613382 -0.2266038 -0.4510528), wk = 0.0023202 k( 254) = ( 0.1658198 -0.2328983 -0.4635821), wk = 0.0023202 k( 255) = ( 0.1703015 -0.2391929 -0.4761113), wk = 0.0023202 k( 256) = ( 0.1747831 -0.2454874 -0.4886406), wk = 0.0023202 k( 257) = ( 0.1792647 -0.2517820 -0.5011698), wk = 0.0023202 k( 258) = ( 0.1837463 -0.2580765 -0.5136991), wk = 0.0023202 k( 259) = ( 0.1882279 -0.2643711 -0.5262283), wk = 0.0023202 k( 260) = ( 0.1927096 -0.2706656 -0.5387576), wk = 0.0023202 k( 261) = ( 0.1971912 -0.2769602 -0.5512868), wk = 0.0023202 k( 262) = ( 0.2016728 -0.2832547 -0.5638161), wk = 0.0023202 k( 263) = ( 0.2061544 -0.2895493 -0.5763453), wk = 0.0023202 k( 264) = ( 0.2106360 -0.2958438 -0.5888746), wk = 0.0023202 k( 265) = ( 0.2151176 -0.3021384 -0.6014038), wk = 0.0023202 k( 266) = ( 0.2195993 -0.3084329 -0.6139330), wk = 0.0023202 k( 267) = ( 0.2240809 -0.3147275 -0.6264623), wk = 0.0023202 k( 268) = ( 0.2285625 -0.3210220 -0.6389915), wk = 0.0023202 k( 269) = ( 0.2330441 -0.3273166 -0.6515208), wk = 0.0023202 k( 270) = ( 0.2375257 -0.3336111 -0.6640500), wk = 0.0023202 k( 271) = ( 0.2420074 -0.3399057 -0.6765793), wk = 0.0023202 k( 272) = ( 0.2464890 -0.3462002 -0.6891085), wk = 0.0023202 k( 273) = ( 0.2509706 -0.3524948 -0.7016377), wk = 0.0023202 k( 274) = ( 0.2554522 -0.3587893 -0.7141670), wk = 0.0023202 k( 275) = ( 0.2599338 -0.3650839 -0.7266962), wk = 0.0023202 k( 276) = ( 0.2644154 -0.3713784 -0.7392255), wk = 0.0023202 k( 277) = ( 0.2688971 -0.3776730 -0.7517547), wk = 0.0023202 k( 278) = ( 0.2733787 -0.3839675 -0.7642840), wk = 0.0023202 k( 279) = ( 0.2778603 -0.3902621 -0.7768132), wk = 0.0023202 k( 280) = ( 0.2823419 -0.3965566 -0.7893425), wk = 0.0023202 k( 281) = ( 0.2868235 -0.4028512 -0.8018717), wk = 0.0023202 k( 282) = ( 0.2913051 -0.4091457 -0.8144010), wk = 0.0023202 k( 283) = ( 0.2957868 -0.4154403 -0.8269302), wk = 0.0023202 k( 284) = ( 0.3002684 -0.4217348 -0.8394595), wk = 0.0023202 k( 285) = ( 0.3047500 -0.4280294 -0.8519887), wk = 0.0023202 k( 286) = ( 0.3092316 -0.4343239 -0.8645179), wk = 0.0023202 k( 287) = ( 0.3137132 -0.4406185 -0.8770472), wk = 0.0023202 k( 288) = ( 0.3181948 -0.4469130 -0.8895764), wk = 0.0023202 k( 289) = ( 0.3226765 -0.4532076 -0.9021057), wk = 0.0023202 k( 290) = ( 0.3271581 -0.4595021 -0.9146349), wk = 0.0023202 k( 291) = ( 0.3316397 -0.4657967 -0.9271642), wk = 0.0023202 k( 292) = ( 0.3361213 -0.4720912 -0.9396934), wk = 0.0023202 k( 293) = ( 0.3406029 -0.4783858 -0.9522227), wk = 0.0023202 k( 294) = ( 0.3450845 -0.4846803 -0.9647519), wk = 0.0023202 k( 295) = ( 0.6549154 -0.3248683 -0.8661934), wk = 0.0023202 k( 296) = ( 0.6504893 -0.3110203 -0.8661934), wk = 0.0023202 k( 297) = ( 0.6460631 -0.2971723 -0.8661934), wk = 0.0023202 k( 298) = ( 0.6416370 -0.2833243 -0.8661934), wk = 0.0023202 k( 299) = ( 0.6372108 -0.2694763 -0.8661934), wk = 0.0023202 k( 300) = ( 0.6327847 -0.2556283 -0.8661934), wk = 0.0023202 k( 301) = ( 0.6283585 -0.2417803 -0.8661934), wk = 0.0023202 k( 302) = ( 0.6239324 -0.2279323 -0.8661934), wk = 0.0023202 k( 303) = ( 0.6195062 -0.2140843 -0.8661934), wk = 0.0023202 k( 304) = ( 0.6150800 -0.2002363 -0.8661934), wk = 0.0023202 k( 305) = ( 0.6106539 -0.1863882 -0.8661934), wk = 0.0023202 k( 306) = ( 0.6062277 -0.1725403 -0.8661934), wk = 0.0023202 k( 307) = ( 0.6018016 -0.1586922 -0.8661934), wk = 0.0023202 k( 308) = ( 0.5973754 -0.1448442 -0.8661934), wk = 0.0023202 k( 309) = ( 0.5929493 -0.1309962 -0.8661934), wk = 0.0023202 k( 310) = ( 0.5885231 -0.1171482 -0.8661934), wk = 0.0023202 k( 311) = ( 0.5840970 -0.1033002 -0.8661934), wk = 0.0023202 k( 312) = ( 0.5796708 -0.0894522 -0.8661934), wk = 0.0023202 k( 313) = ( 0.5752447 -0.0756042 -0.8661934), wk = 0.0023202 k( 314) = ( 0.5708185 -0.0617562 -0.8661934), wk = 0.0023202 k( 315) = ( 0.5663923 -0.0479081 -0.8661934), wk = 0.0023202 k( 316) = ( 0.5619662 -0.0340601 -0.8661934), wk = 0.0023202 k( 317) = ( 0.5575400 -0.0202121 -0.8661934), wk = 0.0023202 k( 318) = ( 0.5531139 -0.0063641 -0.8661934), wk = 0.0023202 k( 319) = ( 0.5486877 0.0074839 -0.8661934), wk = 0.0023202 k( 320) = ( 0.5442616 0.0213319 -0.8661934), wk = 0.0023202 k( 321) = ( 0.5398354 0.0351799 -0.8661934), wk = 0.0023202 k( 322) = ( 0.5354092 0.0490279 -0.8661934), wk = 0.0023202 k( 323) = ( 0.5309831 0.0628759 -0.8661934), wk = 0.0023202 k( 324) = ( 0.5265569 0.0767239 -0.8661934), wk = 0.0023202 k( 325) = ( 0.5221308 0.0905719 -0.8661934), wk = 0.0023202 k( 326) = ( 0.5177046 0.1044200 -0.8661934), wk = 0.0023202 k( 327) = ( 0.5132785 0.1182679 -0.8661934), wk = 0.0023202 k( 328) = ( 0.5088523 0.1321160 -0.8661934), wk = 0.0023202 k( 329) = ( 0.5044262 0.1459640 -0.8661934), wk = 0.0023202 k( 330) = ( 0.5000000 0.1598120 -0.8661934), wk = 0.0023202 k( 331) = ( 0.5000000 0.1598120 -0.8661934), wk = 0.0023202 k( 332) = ( 0.5119166 0.1636208 -0.8586119), wk = 0.0023202 k( 333) = ( 0.5238331 0.1674296 -0.8510305), wk = 0.0023202 k( 334) = ( 0.5357497 0.1712385 -0.8434491), wk = 0.0023202 k( 335) = ( 0.5476663 0.1750473 -0.8358676), wk = 0.0023202 k( 336) = ( 0.5595829 0.1788561 -0.8282862), wk = 0.0023202 k( 337) = ( 0.5714994 0.1826649 -0.8207048), wk = 0.0023202 k( 338) = ( 0.5834160 0.1864737 -0.8131234), wk = 0.0023202 k( 339) = ( 0.5953326 0.1902826 -0.8055419), wk = 0.0023202 k( 340) = ( 0.6072492 0.1940914 -0.7979605), wk = 0.0023202 k( 341) = ( 0.6191657 0.1979002 -0.7903791), wk = 0.0023202 k( 342) = ( 0.6310823 0.2017090 -0.7827977), wk = 0.0023202 k( 343) = ( 0.6429989 0.2055178 -0.7752162), wk = 0.0023202 k( 344) = ( 0.6549154 0.2093267 -0.7676348), wk = 0.0023202 k( 345) = ( 0.6549154 0.2093267 -0.7676348), wk = 0.0023202 k( 346) = ( 0.6523335 0.2085014 -0.7531983), wk = 0.0023202 k( 347) = ( 0.6497516 0.2076762 -0.7387617), wk = 0.0023202 k( 348) = ( 0.6471697 0.2068509 -0.7243251), wk = 0.0023202 k( 349) = ( 0.6445878 0.2060257 -0.7098886), wk = 0.0023202 k( 350) = ( 0.6420058 0.2052004 -0.6954520), wk = 0.0023202 k( 351) = ( 0.6394239 0.2043752 -0.6810155), wk = 0.0023202 k( 352) = ( 0.6368420 0.2035500 -0.6665789), wk = 0.0023202 k( 353) = ( 0.6342600 0.2027247 -0.6521424), wk = 0.0023202 k( 354) = ( 0.6316781 0.2018995 -0.6377058), wk = 0.0023202 k( 355) = ( 0.6290962 0.2010742 -0.6232692), wk = 0.0023202 k( 356) = ( 0.6265143 0.2002490 -0.6088327), wk = 0.0023202 k( 357) = ( 0.6239324 0.1994237 -0.5943961), wk = 0.0023202 k( 358) = ( 0.6213504 0.1985985 -0.5799596), wk = 0.0023202 k( 359) = ( 0.6187685 0.1977732 -0.5655230), wk = 0.0023202 k( 360) = ( 0.6161866 0.1969480 -0.5510865), wk = 0.0023202 k( 361) = ( 0.6136047 0.1961228 -0.5366499), wk = 0.0023202 k( 362) = ( 0.6110227 0.1952975 -0.5222133), wk = 0.0023202 k( 363) = ( 0.6084408 0.1944723 -0.5077768), wk = 0.0023202 k( 364) = ( 0.6058589 0.1936470 -0.4933402), wk = 0.0023202 k( 365) = ( 0.6032770 0.1928218 -0.4789037), wk = 0.0023202 k( 366) = ( 0.6006950 0.1919965 -0.4644671), wk = 0.0023202 k( 367) = ( 0.5981131 0.1911713 -0.4500306), wk = 0.0023202 k( 368) = ( 0.5955312 0.1903460 -0.4355940), wk = 0.0023202 k( 369) = ( 0.5929493 0.1895208 -0.4211575), wk = 0.0023202 k( 370) = ( 0.5903673 0.1886956 -0.4067209), wk = 0.0023202 k( 371) = ( 0.5877854 0.1878703 -0.3922843), wk = 0.0023202 k( 372) = ( 0.5852035 0.1870451 -0.3778478), wk = 0.0023202 k( 373) = ( 0.5826216 0.1862198 -0.3634112), wk = 0.0023202 k( 374) = ( 0.5800397 0.1853946 -0.3489747), wk = 0.0023202 k( 375) = ( 0.5774577 0.1845693 -0.3345381), wk = 0.0023202 k( 376) = ( 0.5748758 0.1837441 -0.3201016), wk = 0.0023202 k( 377) = ( 0.5722939 0.1829188 -0.3056650), wk = 0.0023202 k( 378) = ( 0.5697119 0.1820936 -0.2912285), wk = 0.0023202 k( 379) = ( 0.5671300 0.1812683 -0.2767919), wk = 0.0023202 k( 380) = ( 0.5645481 0.1804431 -0.2623553), wk = 0.0023202 k( 381) = ( 0.5619662 0.1796179 -0.2479188), wk = 0.0023202 k( 382) = ( 0.5593843 0.1787926 -0.2334822), wk = 0.0023202 k( 383) = ( 0.5568023 0.1779674 -0.2190457), wk = 0.0023202 k( 384) = ( 0.5542204 0.1771421 -0.2046091), wk = 0.0023202 k( 385) = ( 0.5516385 0.1763169 -0.1901726), wk = 0.0023202 k( 386) = ( 0.5490566 0.1754916 -0.1757360), wk = 0.0023202 k( 387) = ( 0.5464746 0.1746664 -0.1612994), wk = 0.0023202 k( 388) = ( 0.5438927 0.1738411 -0.1468629), wk = 0.0023202 k( 389) = ( 0.5413108 0.1730159 -0.1324263), wk = 0.0023202 k( 390) = ( 0.5387289 0.1721907 -0.1179898), wk = 0.0023202 k( 391) = ( 0.5361469 0.1713654 -0.1035532), wk = 0.0023202 k( 392) = ( 0.5335650 0.1705402 -0.0891167), wk = 0.0023202 k( 393) = ( 0.5309831 0.1697149 -0.0746801), wk = 0.0023202 k( 394) = ( 0.5284012 0.1688897 -0.0602436), wk = 0.0023202 k( 395) = ( 0.5258192 0.1680644 -0.0458070), wk = 0.0023202 k( 396) = ( 0.5232373 0.1672392 -0.0313704), wk = 0.0023202 k( 397) = ( 0.5206554 0.1664139 -0.0169339), wk = 0.0023202 k( 398) = ( 0.5180735 0.1655887 -0.0024973), wk = 0.0023202 k( 399) = ( 0.5154915 0.1647635 0.0119392), wk = 0.0023202 k( 400) = ( 0.5129096 0.1639382 0.0263758), wk = 0.0023202 k( 401) = ( 0.5103277 0.1631130 0.0408123), wk = 0.0023202 k( 402) = ( 0.5077458 0.1622877 0.0552489), wk = 0.0023202 k( 403) = ( 0.5051638 0.1614625 0.0696854), wk = 0.0023202 k( 404) = ( 0.5025819 0.1606372 0.0841220), wk = 0.0023202 k( 405) = ( 0.5000000 0.1598120 0.0985586), wk = 0.0023202 k( 406) = ( 0.5000000 -0.7022631 -0.4330967), wk = 0.0023202 k( 407) = ( 0.5123932 -0.6958707 -0.4291543), wk = 0.0023202 k( 408) = ( 0.5247865 -0.6894782 -0.4252120), wk = 0.0023202 k( 409) = ( 0.5371797 -0.6830857 -0.4212697), wk = 0.0023202 k( 410) = ( 0.5495729 -0.6766932 -0.4173273), wk = 0.0023202 k( 411) = ( 0.5619662 -0.6703007 -0.4133850), wk = 0.0023202 k( 412) = ( 0.5743594 -0.6639083 -0.4094426), wk = 0.0023202 k( 413) = ( 0.5867526 -0.6575158 -0.4055003), wk = 0.0023202 k( 414) = ( 0.5991459 -0.6511233 -0.4015579), wk = 0.0023202 k( 415) = ( 0.6115391 -0.6447308 -0.3976156), wk = 0.0023202 k( 416) = ( 0.6239324 -0.6383384 -0.3936733), wk = 0.0023202 k( 417) = ( 0.6363256 -0.6319459 -0.3897309), wk = 0.0023202 k( 418) = ( 0.6487188 -0.6255534 -0.3857886), wk = 0.0023202 k( 419) = ( 0.6611121 -0.6191609 -0.3818462), wk = 0.0023202 k( 420) = ( 0.6735053 -0.6127684 -0.3779039), wk = 0.0023202 k( 421) = ( 0.6858985 -0.6063760 -0.3739616), wk = 0.0023202 k( 422) = ( 0.6982918 -0.5999835 -0.3700192), wk = 0.0023202 k( 423) = ( 0.7106850 -0.5935910 -0.3660769), wk = 0.0023202 k( 424) = ( 0.7230782 -0.5871985 -0.3621345), wk = 0.0023202 k( 425) = ( 0.7354715 -0.5808060 -0.3581922), wk = 0.0023202 k( 426) = ( 0.7478647 -0.5744136 -0.3542498), wk = 0.0023202 k( 427) = ( 0.7602579 -0.5680211 -0.3503075), wk = 0.0023202 k( 428) = ( 0.7726512 -0.5616286 -0.3463652), wk = 0.0023202 k( 429) = ( 0.7850444 -0.5552361 -0.3424228), wk = 0.0023202 k( 430) = ( 0.7974377 -0.5488436 -0.3384805), wk = 0.0023202 k( 431) = ( 0.8098309 -0.5424512 -0.3345381), wk = 0.0023202 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023202 k( 2) = ( 0.0076923 0.0000000 0.0000000), wk = 0.0023202 k( 3) = ( 0.0153846 0.0000000 0.0000000), wk = 0.0023202 k( 4) = ( 0.0230769 0.0000000 0.0000000), wk = 0.0023202 k( 5) = ( 0.0307692 0.0000000 0.0000000), wk = 0.0023202 k( 6) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0023202 k( 7) = ( 0.0461539 0.0000000 0.0000000), wk = 0.0023202 k( 8) = ( 0.0538462 0.0000000 0.0000000), wk = 0.0023202 k( 9) = ( 0.0615385 0.0000000 0.0000000), wk = 0.0023202 k( 10) = ( 0.0692308 0.0000000 0.0000000), wk = 0.0023202 k( 11) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0023202 k( 12) = ( 0.0846154 -0.0000000 0.0000000), wk = 0.0023202 k( 13) = ( 0.0923077 0.0000000 0.0000000), wk = 0.0023202 k( 14) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0023202 k( 15) = ( 0.1076923 0.0000000 0.0000000), wk = 0.0023202 k( 16) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0023202 k( 17) = ( 0.1230769 0.0000000 0.0000000), wk = 0.0023202 k( 18) = ( 0.1307692 0.0000000 0.0000000), wk = 0.0023202 k( 19) = ( 0.1384615 0.0000000 0.0000000), wk = 0.0023202 k( 20) = ( 0.1461539 0.0000000 0.0000000), wk = 0.0023202 k( 21) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0023202 k( 22) = ( 0.1615385 0.0000000 0.0000000), wk = 0.0023202 k( 23) = ( 0.1692308 0.0000000 0.0000000), wk = 0.0023202 k( 24) = ( 0.1769231 0.0000000 0.0000000), wk = 0.0023202 k( 25) = ( 0.1846154 0.0000000 0.0000000), wk = 0.0023202 k( 26) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0023202 k( 27) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0023202 k( 28) = ( 0.2076923 0.0000000 0.0000000), wk = 0.0023202 k( 29) = ( 0.2153846 0.0000000 0.0000000), wk = 0.0023202 k( 30) = ( 0.2230769 0.0000000 0.0000000), wk = 0.0023202 k( 31) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0023202 k( 32) = ( 0.2384615 0.0000000 0.0000000), wk = 0.0023202 k( 33) = ( 0.2461539 0.0000000 0.0000000), wk = 0.0023202 k( 34) = ( 0.2538461 -0.0000000 0.0000000), wk = 0.0023202 k( 35) = ( 0.2615385 0.0000000 0.0000000), wk = 0.0023202 k( 36) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0023202 k( 37) = ( 0.2769231 0.0000000 0.0000000), wk = 0.0023202 k( 38) = ( 0.2846154 -0.0000000 0.0000000), wk = 0.0023202 k( 39) = ( 0.2923077 -0.0000000 0.0000000), wk = 0.0023202 k( 40) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0023202 k( 41) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0023202 k( 42) = ( 0.3153846 -0.0000000 0.0000000), wk = 0.0023202 k( 43) = ( 0.3230769 0.0000000 0.0000000), wk = 0.0023202 k( 44) = ( 0.3307692 0.0000000 0.0000000), wk = 0.0023202 k( 45) = ( 0.3384615 0.0000000 0.0000000), wk = 0.0023202 k( 46) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0023202 k( 47) = ( 0.3538462 0.0000000 0.0000000), wk = 0.0023202 k( 48) = ( 0.3615385 0.0000000 0.0000000), wk = 0.0023202 k( 49) = ( 0.3692308 -0.0000000 -0.0000000), wk = 0.0023202 k( 50) = ( 0.3769231 -0.0000000 -0.0000000), wk = 0.0023202 k( 51) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0023202 k( 52) = ( 0.3923077 -0.0000000 -0.0000000), wk = 0.0023202 k( 53) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0023202 k( 54) = ( 0.4076923 -0.0000000 0.0000000), wk = 0.0023202 k( 55) = ( 0.4153846 0.0000000 0.0000000), wk = 0.0023202 k( 56) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0023202 k( 57) = ( 0.4307692 -0.0000000 0.0000000), wk = 0.0023202 k( 58) = ( 0.4384615 -0.0000000 0.0000000), wk = 0.0023202 k( 59) = ( 0.4461539 0.0000000 0.0000000), wk = 0.0023202 k( 60) = ( 0.4538462 -0.0000000 0.0000000), wk = 0.0023202 k( 61) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0023202 k( 62) = ( 0.4692308 -0.0000000 0.0000000), wk = 0.0023202 k( 63) = ( 0.4769231 0.0000000 0.0000000), wk = 0.0023202 k( 64) = ( 0.4846154 -0.0000000 0.0000000), wk = 0.0023202 k( 65) = ( 0.4923077 0.0000000 0.0000000), wk = 0.0023202 k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023202 k( 67) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023202 k( 68) = ( 0.5000000 0.0045278 -0.0045278), wk = 0.0023202 k( 69) = ( 0.5000000 0.0090557 -0.0090557), wk = 0.0023202 k( 70) = ( 0.5000000 0.0135835 -0.0135835), wk = 0.0023202 k( 71) = ( 0.5000000 0.0181113 -0.0181113), wk = 0.0023202 k( 72) = ( 0.5000000 0.0226392 -0.0226392), wk = 0.0023202 k( 73) = ( 0.5000000 0.0271670 -0.0271670), wk = 0.0023202 k( 74) = ( 0.5000000 0.0316948 -0.0316948), wk = 0.0023202 k( 75) = ( 0.5000000 0.0362227 -0.0362227), wk = 0.0023202 k( 76) = ( 0.5000000 0.0407505 -0.0407505), wk = 0.0023202 k( 77) = ( 0.5000000 0.0452784 -0.0452784), wk = 0.0023202 k( 78) = ( 0.5000000 0.0498062 -0.0498062), wk = 0.0023202 k( 79) = ( 0.5000000 0.0543340 -0.0543340), wk = 0.0023202 k( 80) = ( 0.5000000 0.0588619 -0.0588619), wk = 0.0023202 k( 81) = ( 0.5000000 0.0633897 -0.0633897), wk = 0.0023202 k( 82) = ( 0.5000000 0.0679175 -0.0679175), wk = 0.0023202 k( 83) = ( 0.5000000 0.0724454 -0.0724454), wk = 0.0023202 k( 84) = ( 0.5000000 0.0769732 -0.0769732), wk = 0.0023202 k( 85) = ( 0.5000000 0.0815011 -0.0815010), wk = 0.0023202 k( 86) = ( 0.5000000 0.0860289 -0.0860289), wk = 0.0023202 k( 87) = ( 0.5000000 0.0905567 -0.0905567), wk = 0.0023202 k( 88) = ( 0.5000000 0.0950845 -0.0950845), wk = 0.0023202 k( 89) = ( 0.5000000 0.0996124 -0.0996124), wk = 0.0023202 k( 90) = ( 0.5000000 0.1041402 -0.1041402), wk = 0.0023202 k( 91) = ( 0.5000000 0.1086681 -0.1086681), wk = 0.0023202 k( 92) = ( 0.5000000 0.1131959 -0.1131959), wk = 0.0023202 k( 93) = ( 0.5000000 0.1177237 -0.1177237), wk = 0.0023202 k( 94) = ( 0.5000000 0.1222516 -0.1222516), wk = 0.0023202 k( 95) = ( 0.5000000 0.1267794 -0.1267794), wk = 0.0023202 k( 96) = ( 0.5000000 0.1313072 -0.1313072), wk = 0.0023202 k( 97) = ( 0.5000000 0.1358351 -0.1358351), wk = 0.0023202 k( 98) = ( 0.5000000 0.1403629 -0.1403629), wk = 0.0023202 k( 99) = ( 0.5000000 0.1448908 -0.1448907), wk = 0.0023202 k( 100) = ( 0.5000000 0.1494186 -0.1494186), wk = 0.0023202 k( 101) = ( 0.5000000 0.1539464 -0.1539464), wk = 0.0023202 k( 102) = ( 0.5000000 0.1584743 -0.1584743), wk = 0.0023202 k( 103) = ( 0.5000000 0.1630021 -0.1630021), wk = 0.0023202 k( 104) = ( 0.5000000 0.1675299 -0.1675299), wk = 0.0023202 k( 105) = ( 0.5000000 0.1720578 -0.1720578), wk = 0.0023202 k( 106) = ( 0.5000000 0.1765856 -0.1765856), wk = 0.0023202 k( 107) = ( 0.5000000 0.1811134 -0.1811134), wk = 0.0023202 k( 108) = ( 0.5000000 0.1856413 -0.1856413), wk = 0.0023202 k( 109) = ( 0.5000000 0.1901691 -0.1901691), wk = 0.0023202 k( 110) = ( 0.8098309 0.5000000 0.1901691), wk = 0.0023202 k( 111) = ( 0.8053406 0.5000000 0.1946594), wk = 0.0023202 k( 112) = ( 0.8008503 0.5000000 0.1991497), wk = 0.0023202 k( 113) = ( 0.7963600 0.5000000 0.2036400), wk = 0.0023202 k( 114) = ( 0.7918697 0.5000000 0.2081303), wk = 0.0023202 k( 115) = ( 0.7873794 0.5000000 0.2126206), wk = 0.0023202 k( 116) = ( 0.7828891 0.5000000 0.2171109), wk = 0.0023202 k( 117) = ( 0.7783988 0.5000000 0.2216012), wk = 0.0023202 k( 118) = ( 0.7739085 0.5000000 0.2260915), wk = 0.0023202 k( 119) = ( 0.7694182 0.5000000 0.2305818), wk = 0.0023202 k( 120) = ( 0.7649279 0.5000000 0.2350721), wk = 0.0023202 k( 121) = ( 0.7604376 0.5000000 0.2395624), wk = 0.0023202 k( 122) = ( 0.7559473 0.5000000 0.2440527), wk = 0.0023202 k( 123) = ( 0.7514570 0.5000000 0.2485430), wk = 0.0023202 k( 124) = ( 0.7469666 0.5000000 0.2530334), wk = 0.0023202 k( 125) = ( 0.7424764 0.5000000 0.2575237), wk = 0.0023202 k( 126) = ( 0.7379860 0.5000000 0.2620139), wk = 0.0023202 k( 127) = ( 0.7334958 0.5000000 0.2665043), wk = 0.0023202 k( 128) = ( 0.7290054 0.5000000 0.2709946), wk = 0.0023202 k( 129) = ( 0.7245151 0.5000000 0.2754849), wk = 0.0023202 k( 130) = ( 0.7200248 0.5000000 0.2799752), wk = 0.0023202 k( 131) = ( 0.7155345 0.5000000 0.2844655), wk = 0.0023202 k( 132) = ( 0.7110442 0.5000000 0.2889558), wk = 0.0023202 k( 133) = ( 0.7065539 0.5000000 0.2934461), wk = 0.0023202 k( 134) = ( 0.7020636 0.5000000 0.2979364), wk = 0.0023202 k( 135) = ( 0.6975733 0.5000000 0.3024267), wk = 0.0023202 k( 136) = ( 0.6930830 0.5000000 0.3069170), wk = 0.0023202 k( 137) = ( 0.6885927 0.5000000 0.3114073), wk = 0.0023202 k( 138) = ( 0.6841024 0.5000000 0.3158976), wk = 0.0023202 k( 139) = ( 0.6796121 0.5000000 0.3203879), wk = 0.0023202 k( 140) = ( 0.6751218 0.5000000 0.3248782), wk = 0.0023202 k( 141) = ( 0.6706315 0.5000000 0.3293685), wk = 0.0023202 k( 142) = ( 0.6661412 0.5000000 0.3338588), wk = 0.0023202 k( 143) = ( 0.6616509 0.5000000 0.3383491), wk = 0.0023202 k( 144) = ( 0.6571606 0.5000000 0.3428394), wk = 0.0023202 k( 145) = ( 0.6526703 0.5000000 0.3473297), wk = 0.0023202 k( 146) = ( 0.6481800 0.5000000 0.3518200), wk = 0.0023202 k( 147) = ( 0.6436897 0.5000000 0.3563103), wk = 0.0023202 k( 148) = ( 0.6391994 0.5000000 0.3608006), wk = 0.0023202 k( 149) = ( 0.6347091 0.5000000 0.3652909), wk = 0.0023202 k( 150) = ( 0.6302188 0.5000000 0.3697812), wk = 0.0023202 k( 151) = ( 0.6257285 0.5000000 0.3742715), wk = 0.0023202 k( 152) = ( 0.6212382 0.5000000 0.3787618), wk = 0.0023202 k( 153) = ( 0.6167479 0.5000000 0.3832521), wk = 0.0023202 k( 154) = ( 0.6122576 0.5000000 0.3877424), wk = 0.0023202 k( 155) = ( 0.6077673 0.5000000 0.3922327), wk = 0.0023202 k( 156) = ( 0.6032770 0.5000000 0.3967230), wk = 0.0023202 k( 157) = ( 0.5987867 0.5000000 0.4012133), wk = 0.0023202 k( 158) = ( 0.5942964 0.5000000 0.4057036), wk = 0.0023202 k( 159) = ( 0.5898061 0.5000000 0.4101939), wk = 0.0023202 k( 160) = ( 0.5853158 0.5000000 0.4146842), wk = 0.0023202 k( 161) = ( 0.5808254 0.5000000 0.4191745), wk = 0.0023202 k( 162) = ( 0.5763352 0.5000000 0.4236648), wk = 0.0023202 k( 163) = ( 0.5718448 0.5000000 0.4281551), wk = 0.0023202 k( 164) = ( 0.5673545 0.5000000 0.4326455), wk = 0.0023202 k( 165) = ( 0.5628642 0.5000000 0.4371358), wk = 0.0023202 k( 166) = ( 0.5583739 0.5000000 0.4416261), wk = 0.0023202 k( 167) = ( 0.5538836 0.5000000 0.4461164), wk = 0.0023202 k( 168) = ( 0.5493933 0.5000000 0.4506067), wk = 0.0023202 k( 169) = ( 0.5449030 0.5000000 0.4550970), wk = 0.0023202 k( 170) = ( 0.5404127 0.5000000 0.4595873), wk = 0.0023202 k( 171) = ( 0.5359224 0.5000000 0.4640776), wk = 0.0023202 k( 172) = ( 0.5314321 0.5000000 0.4685679), wk = 0.0023202 k( 173) = ( 0.5269418 0.5000000 0.4730582), wk = 0.0023202 k( 174) = ( 0.5224515 0.5000000 0.4775485), wk = 0.0023202 k( 175) = ( 0.5179612 0.5000000 0.4820388), wk = 0.0023202 k( 176) = ( 0.5134709 0.5000000 0.4865291), wk = 0.0023202 k( 177) = ( 0.5089806 0.5000000 0.4910194), wk = 0.0023202 k( 178) = ( 0.5044903 0.5000000 0.4955097), wk = 0.0023202 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023202 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023202 k( 181) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0023202 k( 182) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0023202 k( 183) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0023202 k( 184) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0023202 k( 185) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0023202 k( 186) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0023202 k( 187) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0023202 k( 188) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0023202 k( 189) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0023202 k( 190) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0023202 k( 191) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0023202 k( 192) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023202 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0023202 k( 194) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0023202 k( 195) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0023202 k( 196) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0023202 k( 197) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0023202 k( 198) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023202 k( 199) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0023202 k( 200) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0023202 k( 201) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0023202 k( 202) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0023202 k( 203) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0023202 k( 204) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023202 k( 205) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0023202 k( 206) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0023202 k( 207) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0023202 k( 208) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0023202 k( 209) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0023202 k( 210) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0023202 k( 211) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0023202 k( 212) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0023202 k( 213) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0023202 k( 214) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0023202 k( 215) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0023202 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023202 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023202 k( 218) = ( 0.0044816 0.0000000 -0.0044816), wk = 0.0023202 k( 219) = ( 0.0089632 0.0000000 -0.0089632), wk = 0.0023202 k( 220) = ( 0.0134448 0.0000000 -0.0134448), wk = 0.0023202 k( 221) = ( 0.0179265 0.0000000 -0.0179265), wk = 0.0023202 k( 222) = ( 0.0224081 0.0000000 -0.0224081), wk = 0.0023202 k( 223) = ( 0.0268897 0.0000000 -0.0268897), wk = 0.0023202 k( 224) = ( 0.0313713 0.0000000 -0.0313713), wk = 0.0023202 k( 225) = ( 0.0358529 0.0000000 -0.0358529), wk = 0.0023202 k( 226) = ( 0.0403346 0.0000000 -0.0403346), wk = 0.0023202 k( 227) = ( 0.0448162 0.0000000 -0.0448162), wk = 0.0023202 k( 228) = ( 0.0492978 0.0000000 -0.0492978), wk = 0.0023202 k( 229) = ( 0.0537794 -0.0000000 -0.0537794), wk = 0.0023202 k( 230) = ( 0.0582610 0.0000000 -0.0582610), wk = 0.0023202 k( 231) = ( 0.0627426 -0.0000000 -0.0627426), wk = 0.0023202 k( 232) = ( 0.0672243 -0.0000000 -0.0672243), wk = 0.0023202 k( 233) = ( 0.0717059 0.0000000 -0.0717059), wk = 0.0023202 k( 234) = ( 0.0761875 -0.0000000 -0.0761875), wk = 0.0023202 k( 235) = ( 0.0806691 0.0000000 -0.0806691), wk = 0.0023202 k( 236) = ( 0.0851507 0.0000000 -0.0851507), wk = 0.0023202 k( 237) = ( 0.0896323 0.0000000 -0.0896323), wk = 0.0023202 k( 238) = ( 0.0941140 0.0000000 -0.0941140), wk = 0.0023202 k( 239) = ( 0.0985956 0.0000000 -0.0985956), wk = 0.0023202 k( 240) = ( 0.1030772 -0.0000000 -0.1030772), wk = 0.0023202 k( 241) = ( 0.1075588 -0.0000000 -0.1075588), wk = 0.0023202 k( 242) = ( 0.1120404 0.0000000 -0.1120404), wk = 0.0023202 k( 243) = ( 0.1165221 0.0000000 -0.1165221), wk = 0.0023202 k( 244) = ( 0.1210037 0.0000000 -0.1210037), wk = 0.0023202 k( 245) = ( 0.1254853 -0.0000000 -0.1254853), wk = 0.0023202 k( 246) = ( 0.1299669 0.0000000 -0.1299669), wk = 0.0023202 k( 247) = ( 0.1344485 0.0000000 -0.1344485), wk = 0.0023202 k( 248) = ( 0.1389301 0.0000000 -0.1389301), wk = 0.0023202 k( 249) = ( 0.1434118 0.0000000 -0.1434118), wk = 0.0023202 k( 250) = ( 0.1478934 0.0000000 -0.1478934), wk = 0.0023202 k( 251) = ( 0.1523750 -0.0000000 -0.1523750), wk = 0.0023202 k( 252) = ( 0.1568566 -0.0000000 -0.1568566), wk = 0.0023202 k( 253) = ( 0.1613382 0.0000000 -0.1613382), wk = 0.0023202 k( 254) = ( 0.1658198 -0.0000000 -0.1658198), wk = 0.0023202 k( 255) = ( 0.1703015 -0.0000000 -0.1703015), wk = 0.0023202 k( 256) = ( 0.1747831 0.0000000 -0.1747831), wk = 0.0023202 k( 257) = ( 0.1792647 0.0000000 -0.1792647), wk = 0.0023202 k( 258) = ( 0.1837463 -0.0000000 -0.1837463), wk = 0.0023202 k( 259) = ( 0.1882279 0.0000000 -0.1882279), wk = 0.0023202 k( 260) = ( 0.1927096 -0.0000000 -0.1927096), wk = 0.0023202 k( 261) = ( 0.1971912 -0.0000000 -0.1971912), wk = 0.0023202 k( 262) = ( 0.2016728 -0.0000000 -0.2016728), wk = 0.0023202 k( 263) = ( 0.2061544 -0.0000000 -0.2061544), wk = 0.0023202 k( 264) = ( 0.2106360 0.0000000 -0.2106360), wk = 0.0023202 k( 265) = ( 0.2151176 -0.0000000 -0.2151176), wk = 0.0023202 k( 266) = ( 0.2195993 0.0000000 -0.2195993), wk = 0.0023202 k( 267) = ( 0.2240809 0.0000000 -0.2240809), wk = 0.0023202 k( 268) = ( 0.2285625 -0.0000000 -0.2285625), wk = 0.0023202 k( 269) = ( 0.2330441 0.0000000 -0.2330441), wk = 0.0023202 k( 270) = ( 0.2375257 0.0000000 -0.2375257), wk = 0.0023202 k( 271) = ( 0.2420074 0.0000000 -0.2420073), wk = 0.0023202 k( 272) = ( 0.2464890 -0.0000000 -0.2464890), wk = 0.0023202 k( 273) = ( 0.2509706 -0.0000000 -0.2509706), wk = 0.0023202 k( 274) = ( 0.2554522 0.0000000 -0.2554522), wk = 0.0023202 k( 275) = ( 0.2599338 0.0000000 -0.2599338), wk = 0.0023202 k( 276) = ( 0.2644154 0.0000000 -0.2644154), wk = 0.0023202 k( 277) = ( 0.2688971 -0.0000000 -0.2688970), wk = 0.0023202 k( 278) = ( 0.2733787 0.0000000 -0.2733787), wk = 0.0023202 k( 279) = ( 0.2778603 0.0000000 -0.2778603), wk = 0.0023202 k( 280) = ( 0.2823419 0.0000000 -0.2823419), wk = 0.0023202 k( 281) = ( 0.2868235 0.0000000 -0.2868235), wk = 0.0023202 k( 282) = ( 0.2913051 0.0000000 -0.2913051), wk = 0.0023202 k( 283) = ( 0.2957868 0.0000000 -0.2957868), wk = 0.0023202 k( 284) = ( 0.3002684 0.0000000 -0.3002684), wk = 0.0023202 k( 285) = ( 0.3047500 0.0000000 -0.3047500), wk = 0.0023202 k( 286) = ( 0.3092316 0.0000000 -0.3092316), wk = 0.0023202 k( 287) = ( 0.3137132 0.0000000 -0.3137132), wk = 0.0023202 k( 288) = ( 0.3181948 -0.0000000 -0.3181948), wk = 0.0023202 k( 289) = ( 0.3226765 0.0000000 -0.3226765), wk = 0.0023202 k( 290) = ( 0.3271581 -0.0000000 -0.3271581), wk = 0.0023202 k( 291) = ( 0.3316397 -0.0000000 -0.3316397), wk = 0.0023202 k( 292) = ( 0.3361213 0.0000000 -0.3361213), wk = 0.0023202 k( 293) = ( 0.3406029 -0.0000000 -0.3406029), wk = 0.0023202 k( 294) = ( 0.3450845 -0.0000000 -0.3450845), wk = 0.0023202 k( 295) = ( 0.6549154 0.3450845 0.0000000), wk = 0.0023202 k( 296) = ( 0.6504893 0.3495107 0.0000000), wk = 0.0023202 k( 297) = ( 0.6460631 0.3539369 0.0000000), wk = 0.0023202 k( 298) = ( 0.6416370 0.3583630 0.0000000), wk = 0.0023202 k( 299) = ( 0.6372108 0.3627892 0.0000000), wk = 0.0023202 k( 300) = ( 0.6327847 0.3672153 0.0000000), wk = 0.0023202 k( 301) = ( 0.6283585 0.3716415 0.0000000), wk = 0.0023202 k( 302) = ( 0.6239324 0.3760676 0.0000000), wk = 0.0023202 k( 303) = ( 0.6195062 0.3804938 0.0000000), wk = 0.0023202 k( 304) = ( 0.6150800 0.3849199 -0.0000000), wk = 0.0023202 k( 305) = ( 0.6106539 0.3893461 0.0000000), wk = 0.0023202 k( 306) = ( 0.6062277 0.3937723 0.0000000), wk = 0.0023202 k( 307) = ( 0.6018016 0.3981984 0.0000000), wk = 0.0023202 k( 308) = ( 0.5973754 0.4026246 0.0000000), wk = 0.0023202 k( 309) = ( 0.5929493 0.4070507 0.0000000), wk = 0.0023202 k( 310) = ( 0.5885231 0.4114769 0.0000000), wk = 0.0023202 k( 311) = ( 0.5840970 0.4159030 0.0000000), wk = 0.0023202 k( 312) = ( 0.5796708 0.4203292 0.0000000), wk = 0.0023202 k( 313) = ( 0.5752447 0.4247553 0.0000000), wk = 0.0023202 k( 314) = ( 0.5708185 0.4291815 0.0000000), wk = 0.0023202 k( 315) = ( 0.5663923 0.4336077 0.0000000), wk = 0.0023202 k( 316) = ( 0.5619662 0.4380338 0.0000000), wk = 0.0023202 k( 317) = ( 0.5575400 0.4424600 0.0000000), wk = 0.0023202 k( 318) = ( 0.5531139 0.4468861 0.0000000), wk = 0.0023202 k( 319) = ( 0.5486877 0.4513123 0.0000000), wk = 0.0023202 k( 320) = ( 0.5442616 0.4557384 0.0000000), wk = 0.0023202 k( 321) = ( 0.5398354 0.4601646 0.0000000), wk = 0.0023202 k( 322) = ( 0.5354092 0.4645907 0.0000000), wk = 0.0023202 k( 323) = ( 0.5309831 0.4690169 0.0000000), wk = 0.0023202 k( 324) = ( 0.5265569 0.4734431 0.0000000), wk = 0.0023202 k( 325) = ( 0.5221308 0.4778692 0.0000000), wk = 0.0023202 k( 326) = ( 0.5177046 0.4822954 0.0000000), wk = 0.0023202 k( 327) = ( 0.5132785 0.4867215 0.0000000), wk = 0.0023202 k( 328) = ( 0.5088523 0.4911477 0.0000000), wk = 0.0023202 k( 329) = ( 0.5044262 0.4955738 0.0000000), wk = 0.0023202 k( 330) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023202 k( 331) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023202 k( 332) = ( 0.5119166 0.5119166 0.0146284), wk = 0.0023202 k( 333) = ( 0.5238331 0.5238331 0.0292568), wk = 0.0023202 k( 334) = ( 0.5357497 0.5357497 0.0438852), wk = 0.0023202 k( 335) = ( 0.5476663 0.5476663 0.0585136), wk = 0.0023202 k( 336) = ( 0.5595829 0.5595829 0.0731420), wk = 0.0023202 k( 337) = ( 0.5714994 0.5714994 0.0877704), wk = 0.0023202 k( 338) = ( 0.5834160 0.5834160 0.1023987), wk = 0.0023202 k( 339) = ( 0.5953326 0.5953326 0.1170271), wk = 0.0023202 k( 340) = ( 0.6072492 0.6072492 0.1316555), wk = 0.0023202 k( 341) = ( 0.6191657 0.6191657 0.1462839), wk = 0.0023202 k( 342) = ( 0.6310823 0.6310823 0.1609123), wk = 0.0023202 k( 343) = ( 0.6429989 0.6429989 0.1755407), wk = 0.0023202 k( 344) = ( 0.6549154 0.6549154 0.1901691), wk = 0.0023202 k( 345) = ( 0.6549154 0.6549154 0.1901691), wk = 0.0023202 k( 346) = ( 0.6523335 0.6523335 0.1953330), wk = 0.0023202 k( 347) = ( 0.6497516 0.6497516 0.2004968), wk = 0.0023202 k( 348) = ( 0.6471697 0.6471697 0.2056607), wk = 0.0023202 k( 349) = ( 0.6445878 0.6445877 0.2108245), wk = 0.0023202 k( 350) = ( 0.6420058 0.6420058 0.2159884), wk = 0.0023202 k( 351) = ( 0.6394239 0.6394239 0.2211522), wk = 0.0023202 k( 352) = ( 0.6368420 0.6368420 0.2263160), wk = 0.0023202 k( 353) = ( 0.6342600 0.6342600 0.2314799), wk = 0.0023202 k( 354) = ( 0.6316781 0.6316781 0.2366437), wk = 0.0023202 k( 355) = ( 0.6290962 0.6290962 0.2418076), wk = 0.0023202 k( 356) = ( 0.6265143 0.6265143 0.2469714), wk = 0.0023202 k( 357) = ( 0.6239324 0.6239324 0.2521353), wk = 0.0023202 k( 358) = ( 0.6213504 0.6213504 0.2572991), wk = 0.0023202 k( 359) = ( 0.6187685 0.6187685 0.2624630), wk = 0.0023202 k( 360) = ( 0.6161866 0.6161866 0.2676268), wk = 0.0023202 k( 361) = ( 0.6136047 0.6136047 0.2727907), wk = 0.0023202 k( 362) = ( 0.6110227 0.6110227 0.2779545), wk = 0.0023202 k( 363) = ( 0.6084408 0.6084408 0.2831184), wk = 0.0023202 k( 364) = ( 0.6058589 0.6058589 0.2882822), wk = 0.0023202 k( 365) = ( 0.6032770 0.6032770 0.2934461), wk = 0.0023202 k( 366) = ( 0.6006950 0.6006950 0.2986099), wk = 0.0023202 k( 367) = ( 0.5981131 0.5981131 0.3037738), wk = 0.0023202 k( 368) = ( 0.5955312 0.5955312 0.3089376), wk = 0.0023202 k( 369) = ( 0.5929493 0.5929493 0.3141015), wk = 0.0023202 k( 370) = ( 0.5903673 0.5903673 0.3192653), wk = 0.0023202 k( 371) = ( 0.5877854 0.5877854 0.3244292), wk = 0.0023202 k( 372) = ( 0.5852035 0.5852035 0.3295930), wk = 0.0023202 k( 373) = ( 0.5826216 0.5826216 0.3347569), wk = 0.0023202 k( 374) = ( 0.5800397 0.5800396 0.3399207), wk = 0.0023202 k( 375) = ( 0.5774577 0.5774577 0.3450845), wk = 0.0023202 k( 376) = ( 0.5748758 0.5748758 0.3502484), wk = 0.0023202 k( 377) = ( 0.5722939 0.5722939 0.3554122), wk = 0.0023202 k( 378) = ( 0.5697119 0.5697119 0.3605761), wk = 0.0023202 k( 379) = ( 0.5671300 0.5671300 0.3657399), wk = 0.0023202 k( 380) = ( 0.5645481 0.5645481 0.3709038), wk = 0.0023202 k( 381) = ( 0.5619662 0.5619662 0.3760676), wk = 0.0023202 k( 382) = ( 0.5593843 0.5593843 0.3812315), wk = 0.0023202 k( 383) = ( 0.5568023 0.5568023 0.3863953), wk = 0.0023202 k( 384) = ( 0.5542204 0.5542204 0.3915592), wk = 0.0023202 k( 385) = ( 0.5516385 0.5516385 0.3967230), wk = 0.0023202 k( 386) = ( 0.5490566 0.5490566 0.4018869), wk = 0.0023202 k( 387) = ( 0.5464746 0.5464746 0.4070507), wk = 0.0023202 k( 388) = ( 0.5438927 0.5438927 0.4122146), wk = 0.0023202 k( 389) = ( 0.5413108 0.5413108 0.4173784), wk = 0.0023202 k( 390) = ( 0.5387289 0.5387289 0.4225423), wk = 0.0023202 k( 391) = ( 0.5361469 0.5361469 0.4277061), wk = 0.0023202 k( 392) = ( 0.5335650 0.5335650 0.4328700), wk = 0.0023202 k( 393) = ( 0.5309831 0.5309831 0.4380338), wk = 0.0023202 k( 394) = ( 0.5284012 0.5284012 0.4431977), wk = 0.0023202 k( 395) = ( 0.5258192 0.5258192 0.4483615), wk = 0.0023202 k( 396) = ( 0.5232373 0.5232373 0.4535254), wk = 0.0023202 k( 397) = ( 0.5206554 0.5206554 0.4586892), wk = 0.0023202 k( 398) = ( 0.5180735 0.5180735 0.4638531), wk = 0.0023202 k( 399) = ( 0.5154915 0.5154915 0.4690169), wk = 0.0023202 k( 400) = ( 0.5129096 0.5129096 0.4741808), wk = 0.0023202 k( 401) = ( 0.5103277 0.5103277 0.4793446), wk = 0.0023202 k( 402) = ( 0.5077458 0.5077458 0.4845085), wk = 0.0023202 k( 403) = ( 0.5051638 0.5051638 0.4896723), wk = 0.0023202 k( 404) = ( 0.5025819 0.5025819 0.4948362), wk = 0.0023202 k( 405) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023202 k( 406) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023202 k( 407) = ( 0.5123932 0.0138034 0.0138034), wk = 0.0023202 k( 408) = ( 0.5247865 0.0276068 0.0276068), wk = 0.0023202 k( 409) = ( 0.5371797 0.0414101 0.0414102), wk = 0.0023202 k( 410) = ( 0.5495729 0.0552135 0.0552135), wk = 0.0023202 k( 411) = ( 0.5619662 0.0690169 0.0690169), wk = 0.0023202 k( 412) = ( 0.5743594 0.0828203 0.0828203), wk = 0.0023202 k( 413) = ( 0.5867526 0.0966237 0.0966237), wk = 0.0023202 k( 414) = ( 0.5991459 0.1104271 0.1104271), wk = 0.0023202 k( 415) = ( 0.6115391 0.1242304 0.1242304), wk = 0.0023202 k( 416) = ( 0.6239324 0.1380338 0.1380338), wk = 0.0023202 k( 417) = ( 0.6363256 0.1518372 0.1518372), wk = 0.0023202 k( 418) = ( 0.6487188 0.1656406 0.1656406), wk = 0.0023202 k( 419) = ( 0.6611121 0.1794440 0.1794440), wk = 0.0023202 k( 420) = ( 0.6735053 0.1932473 0.1932474), wk = 0.0023202 k( 421) = ( 0.6858985 0.2070507 0.2070507), wk = 0.0023202 k( 422) = ( 0.6982918 0.2208541 0.2208541), wk = 0.0023202 k( 423) = ( 0.7106850 0.2346575 0.2346575), wk = 0.0023202 k( 424) = ( 0.7230782 0.2484609 0.2484609), wk = 0.0023202 k( 425) = ( 0.7354715 0.2622643 0.2622643), wk = 0.0023202 k( 426) = ( 0.7478647 0.2760676 0.2760676), wk = 0.0023202 k( 427) = ( 0.7602579 0.2898710 0.2898710), wk = 0.0023202 k( 428) = ( 0.7726512 0.3036744 0.3036744), wk = 0.0023202 k( 429) = ( 0.7850444 0.3174778 0.3174778), wk = 0.0023202 k( 430) = ( 0.7974377 0.3312812 0.3312812), wk = 0.0023202 k( 431) = ( 0.8098309 0.3450845 0.3450845), wk = 0.0023202 Dense grid: 20507 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 20231 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 140, 38) NL pseudopotentials 0.07 Mb ( 70, 64) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.00 Mb ( 571) G-vector shells 0.00 Mb ( 466) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 140, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.07 Mb ( 64, 2, 38) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CoHO2.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.7 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.4 secs Computing kpt #: 21 total cpu time spent up to now is 9.8 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.5 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.9 secs Computing kpt #: 28 total cpu time spent up to now is 12.3 secs Computing kpt #: 29 total cpu time spent up to now is 12.7 secs Computing kpt #: 30 total cpu time spent up to now is 13.1 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 13.8 secs Computing kpt #: 33 total cpu time spent up to now is 14.2 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.0 secs Computing kpt #: 36 total cpu time spent up to now is 15.4 secs Computing kpt #: 37 total cpu time spent up to now is 15.8 secs Computing kpt #: 38 total cpu time spent up to now is 16.2 secs Computing kpt #: 39 total cpu time spent up to now is 16.6 secs Computing kpt #: 40 total cpu time spent up to now is 16.9 secs Computing kpt #: 41 total cpu time spent up to now is 17.3 secs Computing kpt #: 42 total cpu time spent up to now is 17.6 secs Computing kpt #: 43 total cpu time spent up to now is 18.0 secs Computing kpt #: 44 total cpu time spent up to now is 18.4 secs Computing kpt #: 45 total cpu time spent up to now is 18.8 secs Computing kpt #: 46 total cpu time spent up to now is 19.1 secs Computing kpt #: 47 total cpu time spent up to now is 19.4 secs Computing kpt #: 48 total cpu time spent up to now is 19.8 secs Computing kpt #: 49 total cpu time spent up to now is 20.1 secs Computing kpt #: 50 total cpu time spent up to now is 20.4 secs Computing kpt #: 51 total cpu time spent up to now is 20.7 secs Computing kpt #: 52 total cpu time spent up to now is 21.0 secs Computing kpt #: 53 total cpu time spent up to now is 21.3 secs Computing kpt #: 54 total cpu time spent up to now is 21.6 secs Computing kpt #: 55 total cpu time spent up to now is 21.9 secs Computing kpt #: 56 total cpu time spent up to now is 22.2 secs Computing kpt #: 57 total cpu time spent up to now is 22.5 secs Computing kpt #: 58 total cpu time spent up to now is 22.8 secs Computing kpt #: 59 total cpu time spent up to now is 23.1 secs Computing kpt #: 60 total cpu time spent up to now is 23.4 secs Computing kpt #: 61 total cpu time spent up to now is 23.7 secs Computing kpt #: 62 total cpu time spent up to now is 23.9 secs Computing kpt #: 63 total cpu time spent up to now is 24.2 secs Computing kpt #: 64 total cpu time spent up to now is 24.5 secs Computing kpt #: 65 total cpu time spent up to now is 24.8 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.4 secs Computing kpt #: 68 total cpu time spent up to now is 25.7 secs Computing kpt #: 69 total cpu time spent up to now is 26.0 secs Computing kpt #: 70 total cpu time spent up to now is 26.2 secs Computing kpt #: 71 total cpu time spent up to now is 26.5 secs Computing kpt #: 72 total cpu time spent up to now is 26.8 secs Computing kpt #: 73 total cpu time spent up to now is 27.1 secs Computing kpt #: 74 total cpu time spent up to now is 27.4 secs Computing kpt #: 75 total cpu time spent up to now is 27.7 secs Computing kpt #: 76 total cpu time spent up to now is 28.0 secs Computing kpt #: 77 total cpu time spent up to now is 28.3 secs Computing kpt #: 78 total cpu time spent up to now is 28.5 secs Computing kpt #: 79 total cpu time spent up to now is 28.8 secs Computing kpt #: 80 total cpu time spent up to now is 29.1 secs Computing kpt #: 81 total cpu time spent up to now is 29.4 secs Computing kpt #: 82 total cpu time spent up to now is 29.7 secs Computing kpt #: 83 total cpu time spent up to now is 30.0 secs Computing kpt #: 84 total cpu time spent up to now is 30.3 secs Computing kpt #: 85 total cpu time spent up to now is 30.6 secs Computing kpt #: 86 total cpu time spent up to now is 30.9 secs Computing kpt #: 87 total cpu time spent up to now is 31.2 secs Computing kpt #: 88 total cpu time spent up to now is 31.5 secs Computing kpt #: 89 total cpu time spent up to now is 31.7 secs Computing kpt #: 90 total cpu time spent up to now is 32.0 secs Computing kpt #: 91 total cpu time spent up to now is 32.3 secs Computing kpt #: 92 total cpu time spent up to now is 32.6 secs Computing kpt #: 93 total cpu time spent up to now is 32.9 secs Computing kpt #: 94 total cpu time spent up to now is 33.2 secs Computing kpt #: 95 total cpu time spent up to now is 33.5 secs Computing kpt #: 96 total cpu time spent up to now is 33.8 secs Computing kpt #: 97 total cpu time spent up to now is 34.1 secs Computing kpt #: 98 total cpu time spent up to now is 34.5 secs Computing kpt #: 99 total cpu time spent up to now is 34.8 secs Computing kpt #: 100 total cpu time spent up to now is 35.1 secs Computing kpt #: 101 total cpu time spent up to now is 35.4 secs Computing kpt #: 102 total cpu time spent up to now is 35.8 secs Computing kpt #: 103 total cpu time spent up to now is 36.1 secs Computing kpt #: 104 total cpu time spent up to now is 36.5 secs Computing kpt #: 105 total cpu time spent up to now is 36.9 secs Computing kpt #: 106 total cpu time spent up to now is 37.2 secs Computing kpt #: 107 total cpu time spent up to now is 37.6 secs Computing kpt #: 108 total cpu time spent up to now is 38.0 secs Computing kpt #: 109 total cpu time spent up to now is 38.3 secs Computing kpt #: 110 total cpu time spent up to now is 38.6 secs Computing kpt #: 111 total cpu time spent up to now is 38.9 secs Computing kpt #: 112 total cpu time spent up to now is 39.2 secs Computing kpt #: 113 total cpu time spent up to now is 39.6 secs Computing kpt #: 114 total cpu time spent up to now is 39.9 secs Computing kpt #: 115 total cpu time spent up to now is 40.2 secs Computing kpt #: 116 total cpu time spent up to now is 40.5 secs Computing kpt #: 117 total cpu time spent up to now is 40.8 secs Computing kpt #: 118 total cpu time spent up to now is 41.1 secs Computing kpt #: 119 total cpu time spent up to now is 41.5 secs Computing kpt #: 120 total cpu time spent up to now is 41.9 secs Computing kpt #: 121 total cpu time spent up to now is 42.2 secs Computing kpt #: 122 total cpu time spent up to now is 42.5 secs Computing kpt #: 123 total cpu time spent up to now is 42.8 secs Computing kpt #: 124 total cpu time spent up to now is 43.1 secs Computing kpt #: 125 total cpu time spent up to now is 43.4 secs Computing kpt #: 126 total cpu time spent up to now is 43.7 secs Computing kpt #: 127 total cpu time spent up to now is 44.1 secs Computing kpt #: 128 total cpu time spent up to now is 44.4 secs Computing kpt #: 129 total cpu time spent up to now is 44.8 secs Computing kpt #: 130 total cpu time spent up to now is 45.1 secs Computing kpt #: 131 total cpu time spent up to now is 45.4 secs Computing kpt #: 132 total cpu time spent up to now is 45.8 secs Computing kpt #: 133 total cpu time spent up to now is 46.1 secs Computing kpt #: 134 total cpu time spent up to now is 46.4 secs Computing kpt #: 135 total cpu time spent up to now is 46.7 secs Computing kpt #: 136 total cpu time spent up to now is 47.0 secs Computing kpt #: 137 total cpu time spent up to now is 47.3 secs Computing kpt #: 138 total cpu time spent up to now is 47.6 secs Computing kpt #: 139 total cpu time spent up to now is 48.0 secs Computing kpt #: 140 total cpu time spent up to now is 48.3 secs Computing kpt #: 141 total cpu time spent up to now is 48.6 secs Computing kpt #: 142 total cpu time spent up to now is 48.9 secs Computing kpt #: 143 total cpu time spent up to now is 49.2 secs Computing kpt #: 144 total cpu time spent up to now is 49.6 secs Computing kpt #: 145 total cpu time spent up to now is 49.9 secs Computing kpt #: 146 total cpu time spent up to now is 50.2 secs Computing kpt #: 147 total cpu time spent up to now is 50.5 secs Computing kpt #: 148 total cpu time spent up to now is 50.8 secs Computing kpt #: 149 total cpu time spent up to now is 51.1 secs Computing kpt #: 150 total cpu time spent up to now is 51.4 secs Computing kpt #: 151 total cpu time spent up to now is 51.7 secs Computing kpt #: 152 total cpu time spent up to now is 52.0 secs Computing kpt #: 153 total cpu time spent up to now is 52.3 secs Computing kpt #: 154 total cpu time spent up to now is 52.6 secs Computing kpt #: 155 total cpu time spent up to now is 52.9 secs Computing kpt #: 156 total cpu time spent up to now is 53.2 secs Computing kpt #: 157 total cpu time spent up to now is 53.5 secs Computing kpt #: 158 total cpu time spent up to now is 53.7 secs Computing kpt #: 159 total cpu time spent up to now is 54.0 secs Computing kpt #: 160 total cpu time spent up to now is 54.3 secs Computing kpt #: 161 total cpu time spent up to now is 54.6 secs Computing kpt #: 162 total cpu time spent up to now is 54.9 secs Computing kpt #: 163 total cpu time spent up to now is 55.2 secs Computing kpt #: 164 total cpu time spent up to now is 55.5 secs Computing kpt #: 165 total cpu time spent up to now is 55.7 secs Computing kpt #: 166 total cpu time spent up to now is 56.0 secs Computing kpt #: 167 total cpu time spent up to now is 56.3 secs Computing kpt #: 168 total cpu time spent up to now is 56.6 secs Computing kpt #: 169 total cpu time spent up to now is 56.9 secs Computing kpt #: 170 total cpu time spent up to now is 57.2 secs Computing kpt #: 171 total cpu time spent up to now is 57.4 secs Computing kpt #: 172 total cpu time spent up to now is 57.7 secs Computing kpt #: 173 total cpu time spent up to now is 58.0 secs Computing kpt #: 174 total cpu time spent up to now is 58.3 secs Computing kpt #: 175 total cpu time spent up to now is 58.6 secs Computing kpt #: 176 total cpu time spent up to now is 58.9 secs Computing kpt #: 177 total cpu time spent up to now is 59.1 secs Computing kpt #: 178 total cpu time spent up to now is 59.4 secs Computing kpt #: 179 total cpu time spent up to now is 59.7 secs Computing kpt #: 180 total cpu time spent up to now is 60.0 secs Computing kpt #: 181 total cpu time spent up to now is 60.3 secs Computing kpt #: 182 total cpu time spent up to now is 60.5 secs Computing kpt #: 183 total cpu time spent up to now is 60.8 secs Computing kpt #: 184 total cpu time spent up to now is 61.1 secs Computing kpt #: 185 total cpu time spent up to now is 61.4 secs Computing kpt #: 186 total cpu time spent up to now is 61.7 secs Computing kpt #: 187 total cpu time spent up to now is 62.0 secs Computing kpt #: 188 total cpu time spent up to now is 62.2 secs Computing kpt #: 189 total cpu time spent up to now is 62.5 secs Computing kpt #: 190 total cpu time spent up to now is 62.8 secs Computing kpt #: 191 total cpu time spent up to now is 63.1 secs Computing kpt #: 192 total cpu time spent up to now is 63.4 secs Computing kpt #: 193 total cpu time spent up to now is 63.6 secs Computing kpt #: 194 total cpu time spent up to now is 63.9 secs Computing kpt #: 195 total cpu time spent up to now is 64.2 secs Computing kpt #: 196 total cpu time spent up to now is 64.5 secs Computing kpt #: 197 total cpu time spent up to now is 64.8 secs Computing kpt #: 198 total cpu time spent up to now is 65.0 secs Computing kpt #: 199 total cpu time spent up to now is 65.3 secs Computing kpt #: 200 total cpu time spent up to now is 65.6 secs Computing kpt #: 201 total cpu time spent up to now is 65.9 secs Computing kpt #: 202 total cpu time spent up to now is 66.2 secs Computing kpt #: 203 total cpu time spent up to now is 66.5 secs Computing kpt #: 204 total cpu time spent up to now is 66.8 secs Computing kpt #: 205 total cpu time spent up to now is 67.0 secs Computing kpt #: 206 total cpu time spent up to now is 67.3 secs Computing kpt #: 207 total cpu time spent up to now is 67.6 secs Computing kpt #: 208 total cpu time spent up to now is 67.9 secs Computing kpt #: 209 total cpu time spent up to now is 68.2 secs Computing kpt #: 210 total cpu time spent up to now is 68.5 secs Computing kpt #: 211 total cpu time spent up to now is 68.9 secs Computing kpt #: 212 total cpu time spent up to now is 69.2 secs Computing kpt #: 213 total cpu time spent up to now is 69.5 secs Computing kpt #: 214 total cpu time spent up to now is 69.9 secs Computing kpt #: 215 total cpu time spent up to now is 70.2 secs Computing kpt #: 216 total cpu time spent up to now is 70.6 secs Computing kpt #: 217 total cpu time spent up to now is 70.9 secs Computing kpt #: 218 total cpu time spent up to now is 71.3 secs Computing kpt #: 219 total cpu time spent up to now is 71.6 secs Computing kpt #: 220 total cpu time spent up to now is 72.0 secs Computing kpt #: 221 total cpu time spent up to now is 72.3 secs Computing kpt #: 222 total cpu time spent up to now is 72.7 secs Computing kpt #: 223 total cpu time spent up to now is 73.0 secs Computing kpt #: 224 total cpu time spent up to now is 73.4 secs Computing kpt #: 225 total cpu time spent up to now is 73.7 secs Computing kpt #: 226 total cpu time spent up to now is 74.0 secs Computing kpt #: 227 total cpu time spent up to now is 74.4 secs Computing kpt #: 228 total cpu time spent up to now is 74.7 secs Computing kpt #: 229 total cpu time spent up to now is 75.1 secs Computing kpt #: 230 total cpu time spent up to now is 75.4 secs Computing kpt #: 231 total cpu time spent up to now is 75.8 secs Computing kpt #: 232 total cpu time spent up to now is 76.1 secs Computing kpt #: 233 total cpu time spent up to now is 76.5 secs Computing kpt #: 234 total cpu time spent up to now is 76.8 secs Computing kpt #: 235 total cpu time spent up to now is 77.2 secs Computing kpt #: 236 total cpu time spent up to now is 77.5 secs Computing kpt #: 237 total cpu time spent up to now is 77.9 secs Computing kpt #: 238 total cpu time spent up to now is 78.2 secs Computing kpt #: 239 total cpu time spent up to now is 78.6 secs Computing kpt #: 240 total cpu time spent up to now is 78.9 secs Computing kpt #: 241 total cpu time spent up to now is 79.3 secs Computing kpt #: 242 total cpu time spent up to now is 79.7 secs Computing kpt #: 243 total cpu time spent up to now is 80.1 secs Computing kpt #: 244 total cpu time spent up to now is 80.5 secs Computing kpt #: 245 total cpu time spent up to now is 80.9 secs Computing kpt #: 246 total cpu time spent up to now is 81.3 secs Computing kpt #: 247 total cpu time spent up to now is 81.7 secs Computing kpt #: 248 total cpu time spent up to now is 82.2 secs Computing kpt #: 249 total cpu time spent up to now is 82.6 secs Computing kpt #: 250 total cpu time spent up to now is 83.2 secs Computing kpt #: 251 total cpu time spent up to now is 83.7 secs Computing kpt #: 252 total cpu time spent up to now is 84.2 secs Computing kpt #: 253 total cpu time spent up to now is 84.7 secs Computing kpt #: 254 total cpu time spent up to now is 85.1 secs Computing kpt #: 255 total cpu time spent up to now is 85.6 secs Computing kpt #: 256 total cpu time spent up to now is 85.9 secs Computing kpt #: 257 total cpu time spent up to now is 86.3 secs Computing kpt #: 258 total cpu time spent up to now is 86.6 secs Computing kpt #: 259 total cpu time spent up to now is 87.0 secs Computing kpt #: 260 total cpu time spent up to now is 87.3 secs Computing kpt #: 261 total cpu time spent up to now is 87.7 secs Computing kpt #: 262 total cpu time spent up to now is 88.1 secs Computing kpt #: 263 total cpu time spent up to now is 88.4 secs Computing kpt #: 264 total cpu time spent up to now is 88.7 secs Computing kpt #: 265 total cpu time spent up to now is 89.0 secs Computing kpt #: 266 total cpu time spent up to now is 89.4 secs Computing kpt #: 267 total cpu time spent up to now is 89.7 secs Computing kpt #: 268 total cpu time spent up to now is 90.0 secs Computing kpt #: 269 total cpu time spent up to now is 90.3 secs Computing kpt #: 270 total cpu time spent up to now is 90.7 secs Computing kpt #: 271 total cpu time spent up to now is 91.0 secs Computing kpt #: 272 total cpu time spent up to now is 91.3 secs Computing kpt #: 273 total cpu time spent up to now is 91.6 secs Computing kpt #: 274 total cpu time spent up to now is 91.9 secs Computing kpt #: 275 total cpu time spent up to now is 92.2 secs Computing kpt #: 276 total cpu time spent up to now is 92.5 secs Computing kpt #: 277 total cpu time spent up to now is 92.8 secs Computing kpt #: 278 total cpu time spent up to now is 93.1 secs Computing kpt #: 279 total cpu time spent up to now is 93.4 secs Computing kpt #: 280 total cpu time spent up to now is 93.7 secs Computing kpt #: 281 total cpu time spent up to now is 94.0 secs Computing kpt #: 282 total cpu time spent up to now is 94.3 secs Computing kpt #: 283 total cpu time spent up to now is 94.6 secs Computing kpt #: 284 total cpu time spent up to now is 95.0 secs Computing kpt #: 285 total cpu time spent up to now is 95.3 secs Computing kpt #: 286 total cpu time spent up to now is 95.6 secs Computing kpt #: 287 total cpu time spent up to now is 95.9 secs Computing kpt #: 288 total cpu time spent up to now is 96.2 secs Computing kpt #: 289 total cpu time spent up to now is 96.6 secs Computing kpt #: 290 total cpu time spent up to now is 96.9 secs Computing kpt #: 291 total cpu time spent up to now is 97.3 secs Computing kpt #: 292 total cpu time spent up to now is 97.7 secs Computing kpt #: 293 total cpu time spent up to now is 98.1 secs Computing kpt #: 294 total cpu time spent up to now is 98.4 secs Computing kpt #: 295 total cpu time spent up to now is 98.8 secs Computing kpt #: 296 total cpu time spent up to now is 99.2 secs Computing kpt #: 297 total cpu time spent up to now is 99.6 secs Computing kpt #: 298 total cpu time spent up to now is 99.9 secs Computing kpt #: 299 total cpu time spent up to now is 100.2 secs Computing kpt #: 300 total cpu time spent up to now is 100.5 secs Computing kpt #: 301 total cpu time spent up to now is 100.8 secs Computing kpt #: 302 total cpu time spent up to now is 101.1 secs Computing kpt #: 303 total cpu time spent up to now is 101.4 secs Computing kpt #: 304 total cpu time spent up to now is 101.8 secs Computing kpt #: 305 total cpu time spent up to now is 102.1 secs Computing kpt #: 306 total cpu time spent up to now is 102.4 secs Computing kpt #: 307 total cpu time spent up to now is 102.7 secs Computing kpt #: 308 total cpu time spent up to now is 103.0 secs Computing kpt #: 309 total cpu time spent up to now is 103.3 secs Computing kpt #: 310 total cpu time spent up to now is 103.6 secs Computing kpt #: 311 total cpu time spent up to now is 103.9 secs Computing kpt #: 312 total cpu time spent up to now is 104.2 secs Computing kpt #: 313 total cpu time spent up to now is 104.5 secs Computing kpt #: 314 total cpu time spent up to now is 104.8 secs Computing kpt #: 315 total cpu time spent up to now is 105.1 secs Computing kpt #: 316 total cpu time spent up to now is 105.5 secs Computing kpt #: 317 total cpu time spent up to now is 105.8 secs Computing kpt #: 318 total cpu time spent up to now is 106.1 secs Computing kpt #: 319 total cpu time spent up to now is 106.4 secs Computing kpt #: 320 total cpu time spent up to now is 106.7 secs Computing kpt #: 321 total cpu time spent up to now is 107.0 secs Computing kpt #: 322 total cpu time spent up to now is 107.3 secs Computing kpt #: 323 total cpu time spent up to now is 107.6 secs Computing kpt #: 324 total cpu time spent up to now is 107.9 secs Computing kpt #: 325 total cpu time spent up to now is 108.2 secs Computing kpt #: 326 total cpu time spent up to now is 108.5 secs Computing kpt #: 327 total cpu time spent up to now is 108.8 secs Computing kpt #: 328 total cpu time spent up to now is 109.1 secs Computing kpt #: 329 total cpu time spent up to now is 109.4 secs Computing kpt #: 330 total cpu time spent up to now is 109.7 secs Computing kpt #: 331 total cpu time spent up to now is 110.0 secs Computing kpt #: 332 total cpu time spent up to now is 110.3 secs Computing kpt #: 333 total cpu time spent up to now is 110.6 secs Computing kpt #: 334 total cpu time spent up to now is 110.9 secs Computing kpt #: 335 total cpu time spent up to now is 111.2 secs Computing kpt #: 336 total cpu time spent up to now is 111.5 secs Computing kpt #: 337 total cpu time spent up to now is 111.8 secs Computing kpt #: 338 total cpu time spent up to now is 112.1 secs Computing kpt #: 339 total cpu time spent up to now is 112.4 secs Computing kpt #: 340 total cpu time spent up to now is 112.7 secs Computing kpt #: 341 total cpu time spent up to now is 113.0 secs Computing kpt #: 342 total cpu time spent up to now is 113.3 secs Computing kpt #: 343 total cpu time spent up to now is 113.6 secs Computing kpt #: 344 total cpu time spent up to now is 113.9 secs Computing kpt #: 345 total cpu time spent up to now is 114.2 secs Computing kpt #: 346 total cpu time spent up to now is 114.5 secs Computing kpt #: 347 total cpu time spent up to now is 114.8 secs Computing kpt #: 348 total cpu time spent up to now is 115.1 secs Computing kpt #: 349 total cpu time spent up to now is 115.4 secs Computing kpt #: 350 total cpu time spent up to now is 115.7 secs Computing kpt #: 351 total cpu time spent up to now is 116.0 secs Computing kpt #: 352 total cpu time spent up to now is 116.3 secs Computing kpt #: 353 total cpu time spent up to now is 116.6 secs Computing kpt #: 354 total cpu time spent up to now is 116.9 secs Computing kpt #: 355 total cpu time spent up to now is 117.2 secs Computing kpt #: 356 total cpu time spent up to now is 117.5 secs Computing kpt #: 357 total cpu time spent up to now is 117.9 secs Computing kpt #: 358 total cpu time spent up to now is 118.2 secs Computing kpt #: 359 total cpu time spent up to now is 118.6 secs Computing kpt #: 360 total cpu time spent up to now is 118.9 secs Computing kpt #: 361 total cpu time spent up to now is 119.2 secs Computing kpt #: 362 total cpu time spent up to now is 119.5 secs Computing kpt #: 363 total cpu time spent up to now is 119.8 secs Computing kpt #: 364 total cpu time spent up to now is 120.1 secs Computing kpt #: 365 total cpu time spent up to now is 120.5 secs Computing kpt #: 366 total cpu time spent up to now is 120.8 secs Computing kpt #: 367 total cpu time spent up to now is 121.2 secs Computing kpt #: 368 total cpu time spent up to now is 121.5 secs Computing kpt #: 369 total cpu time spent up to now is 121.8 secs Computing kpt #: 370 total cpu time spent up to now is 122.1 secs Computing kpt #: 371 total cpu time spent up to now is 122.4 secs Computing kpt #: 372 total cpu time spent up to now is 122.7 secs Computing kpt #: 373 total cpu time spent up to now is 123.0 secs Computing kpt #: 374 total cpu time spent up to now is 123.4 secs Computing kpt #: 375 total cpu time spent up to now is 123.7 secs Computing kpt #: 376 total cpu time spent up to now is 124.0 secs Computing kpt #: 377 total cpu time spent up to now is 124.3 secs Computing kpt #: 378 total cpu time spent up to now is 124.6 secs Computing kpt #: 379 total cpu time spent up to now is 124.8 secs Computing kpt #: 380 total cpu time spent up to now is 125.1 secs Computing kpt #: 381 total cpu time spent up to now is 125.4 secs Computing kpt #: 382 total cpu time spent up to now is 125.7 secs Computing kpt #: 383 total cpu time spent up to now is 126.0 secs Computing kpt #: 384 total cpu time spent up to now is 126.3 secs Computing kpt #: 385 total cpu time spent up to now is 126.6 secs Computing kpt #: 386 total cpu time spent up to now is 126.9 secs Computing kpt #: 387 total cpu time spent up to now is 127.2 secs Computing kpt #: 388 total cpu time spent up to now is 127.5 secs Computing kpt #: 389 total cpu time spent up to now is 127.7 secs Computing kpt #: 390 total cpu time spent up to now is 128.0 secs Computing kpt #: 391 total cpu time spent up to now is 128.3 secs Computing kpt #: 392 total cpu time spent up to now is 128.6 secs Computing kpt #: 393 total cpu time spent up to now is 128.9 secs Computing kpt #: 394 total cpu time spent up to now is 129.2 secs Computing kpt #: 395 total cpu time spent up to now is 129.5 secs Computing kpt #: 396 total cpu time spent up to now is 129.8 secs Computing kpt #: 397 total cpu time spent up to now is 130.0 secs Computing kpt #: 398 total cpu time spent up to now is 130.3 secs Computing kpt #: 399 total cpu time spent up to now is 130.6 secs Computing kpt #: 400 total cpu time spent up to now is 130.9 secs Computing kpt #: 401 total cpu time spent up to now is 131.2 secs Computing kpt #: 402 total cpu time spent up to now is 131.4 secs Computing kpt #: 403 total cpu time spent up to now is 131.7 secs Computing kpt #: 404 total cpu time spent up to now is 132.0 secs Computing kpt #: 405 total cpu time spent up to now is 132.3 secs Computing kpt #: 406 total cpu time spent up to now is 132.6 secs Computing kpt #: 407 total cpu time spent up to now is 132.8 secs Computing kpt #: 408 total cpu time spent up to now is 133.1 secs Computing kpt #: 409 total cpu time spent up to now is 133.4 secs Computing kpt #: 410 total cpu time spent up to now is 133.7 secs Computing kpt #: 411 total cpu time spent up to now is 134.0 secs Computing kpt #: 412 total cpu time spent up to now is 134.3 secs Computing kpt #: 413 total cpu time spent up to now is 134.6 secs Computing kpt #: 414 total cpu time spent up to now is 134.9 secs Computing kpt #: 415 total cpu time spent up to now is 135.1 secs Computing kpt #: 416 total cpu time spent up to now is 135.4 secs Computing kpt #: 417 total cpu time spent up to now is 135.7 secs Computing kpt #: 418 total cpu time spent up to now is 136.0 secs Computing kpt #: 419 total cpu time spent up to now is 136.3 secs Computing kpt #: 420 total cpu time spent up to now is 136.6 secs Computing kpt #: 421 total cpu time spent up to now is 136.9 secs Computing kpt #: 422 total cpu time spent up to now is 137.3 secs Computing kpt #: 423 total cpu time spent up to now is 137.6 secs Computing kpt #: 424 total cpu time spent up to now is 137.9 secs Computing kpt #: 425 total cpu time spent up to now is 138.2 secs Computing kpt #: 426 total cpu time spent up to now is 138.5 secs Computing kpt #: 427 total cpu time spent up to now is 138.8 secs Computing kpt #: 428 total cpu time spent up to now is 139.1 secs Computing kpt #: 429 total cpu time spent up to now is 139.4 secs Computing kpt #: 430 total cpu time spent up to now is 139.7 secs Computing kpt #: 431 total cpu time spent up to now is 140.0 secs ethr = 3.33E-08, avg # of iterations = 19.7 total cpu time spent up to now is 140.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2573 PWs) bands (ev): -82.1305 -82.1305 -47.7888 -47.7888 -46.0907 -46.0907 -46.0045 -46.0045 -10.9546 -10.9546 -8.2978 -8.2978 0.3867 0.3867 4.3315 4.3315 4.3493 4.3493 7.5480 7.5480 7.5860 7.5860 7.7451 7.7451 8.8100 8.8100 8.8300 8.8300 9.3668 9.3668 12.4118 12.4118 12.4549 12.4549 15.3157 15.3157 20.1783 20.1783 k = 0.0077-0.0108-0.0067 ( 2565 PWs) bands (ev): -82.1301 -82.1301 -47.7887 -47.7887 -46.0907 -46.0907 -46.0044 -46.0044 -10.9539 -10.9539 -8.2979 -8.2979 0.3876 0.3876 4.3316 4.3316 4.3494 4.3494 7.5443 7.5443 7.5822 7.5822 7.7454 7.7454 8.8130 8.8130 8.8328 8.8328 9.3678 9.3678 12.4118 12.4118 12.4549 12.4549 15.3185 15.3185 20.1813 20.1813 k = 0.0154-0.0216-0.0133 ( 2562 PWs) bands (ev): -82.1299 -82.1299 -47.7887 -47.7887 -46.0907 -46.0907 -46.0044 -46.0044 -10.9518 -10.9518 -8.2982 -8.2982 0.3901 0.3901 4.3310 4.3310 4.3493 4.3493 7.5326 7.5326 7.5715 7.5715 7.7465 7.7465 8.8197 8.8197 8.8393 8.8393 9.3694 9.3694 12.4090 12.4090 12.4523 12.4523 15.3268 15.3268 20.1903 20.1903 k = 0.0231-0.0324-0.0200 ( 2555 PWs) bands (ev): -82.1296 -82.1296 -47.7887 -47.7887 -46.0908 -46.0908 -46.0044 -46.0044 -10.9484 -10.9484 -8.2987 -8.2987 0.3944 0.3944 4.3295 4.3295 4.3499 4.3499 7.5118 7.5118 7.5556 7.5556 7.7484 7.7484 8.8310 8.8310 8.8501 8.8501 9.3713 9.3713 12.4046 12.4046 12.4485 12.4485 15.3406 15.3406 20.2054 20.2054 k = 0.0308-0.0432-0.0267 ( 2551 PWs) bands (ev): -82.1294 -82.1294 -47.7887 -47.7887 -46.0909 -46.0909 -46.0044 -46.0044 -10.9436 -10.9436 -8.2994 -8.2994 0.4003 0.4003 4.3263 4.3263 4.3517 4.3517 7.4807 7.4807 7.5362 7.5362 7.7512 7.7512 8.8451 8.8451 8.8638 8.8638 9.3748 9.3748 12.3970 12.3970 12.4429 12.4429 15.3599 15.3599 20.2263 20.2263 k = 0.0385-0.0540-0.0333 ( 2547 PWs) bands (ev): -82.1292 -82.1292 -47.7888 -47.7888 -46.0912 -46.0912 -46.0044 -46.0044 -10.9374 -10.9374 -8.3004 -8.3004 0.4080 0.4080 4.3212 4.3212 4.3544 4.3544 7.4398 7.4398 7.5141 7.5141 7.7550 7.7550 8.8626 8.8626 8.8814 8.8814 9.3789 9.3789 12.3860 12.3860 12.4355 12.4355 15.3844 15.3844 20.2531 20.2531 k = 0.0462-0.0648-0.0400 ( 2544 PWs) bands (ev): -82.1290 -82.1290 -47.7890 -47.7890 -46.0915 -46.0915 -46.0045 -46.0045 -10.9299 -10.9299 -8.3015 -8.3015 0.4173 0.4173 4.3146 4.3146 4.3584 4.3584 7.3902 7.3902 7.4892 7.4892 7.7597 7.7597 8.8814 8.8814 8.9013 8.9013 9.3842 9.3842 12.3726 12.3726 12.4275 12.4275 15.4141 15.4141 20.2855 20.2855 k = 0.0538-0.0756-0.0466 ( 2541 PWs) bands (ev): -82.1288 -82.1288 -47.7892 -47.7892 -46.0919 -46.0919 -46.0045 -46.0045 -10.9210 -10.9210 -8.3029 -8.3029 0.4283 0.4283 4.3064 4.3064 4.3635 4.3635 7.3329 7.3329 7.4617 7.4617 7.7651 7.7651 8.9016 8.9016 8.9244 8.9244 9.3903 9.3903 12.3552 12.3552 12.4188 12.4188 15.4489 15.4489 20.3234 20.3234 k = 0.0615-0.0864-0.0533 ( 2541 PWs) bands (ev): -82.1287 -82.1287 -47.7894 -47.7894 -46.0923 -46.0923 -46.0045 -46.0045 -10.9109 -10.9109 -8.3045 -8.3045 0.4409 0.4409 4.2970 4.2970 4.3695 4.3695 7.2690 7.2690 7.4317 7.4317 7.7712 7.7712 8.9212 8.9212 8.9498 8.9498 9.3970 9.3970 12.3354 12.3354 12.4094 12.4094 15.4884 15.4884 20.3667 20.3667 k = 0.0692-0.0972-0.0600 ( 2537 PWs) bands (ev): -82.1285 -82.1285 -47.7897 -47.7897 -46.0928 -46.0928 -46.0046 -46.0046 -10.8994 -10.8994 -8.3062 -8.3062 0.4552 0.4552 4.2865 4.2865 4.3764 4.3764 7.1993 7.1993 7.3997 7.3997 7.7777 7.7777 8.9409 8.9409 8.9781 8.9781 9.4049 9.4049 12.3131 12.3131 12.4001 12.4001 15.5325 15.5325 20.4151 20.4151 k = 0.0769-0.1080-0.0666 ( 2537 PWs) bands (ev): -82.1284 -82.1284 -47.7900 -47.7900 -46.0934 -46.0934 -46.0046 -46.0046 -10.8866 -10.8866 -8.3082 -8.3082 0.4710 0.4710 4.2752 4.2752 4.3840 4.3840 7.1246 7.1246 7.3657 7.3657 7.7845 7.7845 8.9600 8.9600 9.0075 9.0075 9.4133 9.4133 12.2885 12.2885 12.3888 12.3888 15.5811 15.5811 20.4684 20.4684 k = 0.0846-0.1188-0.0733 ( 2535 PWs) bands (ev): -82.1282 -82.1282 -47.7903 -47.7903 -46.0940 -46.0940 -46.0047 -46.0047 -10.8725 -10.8725 -8.3104 -8.3104 0.4884 0.4884 4.2629 4.2629 4.3925 4.3925 7.0456 7.0456 7.3302 7.3302 7.7913 7.7913 8.9783 8.9783 9.0382 9.0382 9.4228 9.4228 12.2621 12.2621 12.3777 12.3777 15.6337 15.6337 20.5263 20.5263 k = 0.0923-0.1296-0.0800 ( 2537 PWs) bands (ev): -82.1282 -82.1282 -47.7907 -47.7907 -46.0947 -46.0947 -46.0048 -46.0048 -10.8572 -10.8572 -8.3128 -8.3128 0.5074 0.5074 4.2497 4.2497 4.4016 4.4016 6.9626 6.9626 7.2934 7.2934 7.7980 7.7980 8.9953 8.9953 9.0698 9.0698 9.4323 9.4323 12.2333 12.2333 12.3659 12.3659 15.6902 15.6902 20.5887 20.5887 k = 0.1000-0.1405-0.0866 ( 2531 PWs) bands (ev): -82.1278 -82.1278 -47.7910 -47.7910 -46.0954 -46.0954 -46.0048 -46.0048 -10.8407 -10.8407 -8.3154 -8.3154 0.5279 0.5279 4.2361 4.2361 4.4117 4.4117 6.8765 6.8765 7.2557 7.2557 7.8044 7.8044 9.0124 9.0124 9.1023 9.1023 9.4435 9.4435 12.2039 12.2039 12.3542 12.3542 15.7503 15.7503 20.6552 20.6552 k = 0.1077-0.1513-0.0933 ( 2533 PWs) bands (ev): -82.1278 -82.1278 -47.7915 -47.7915 -46.0962 -46.0962 -46.0049 -46.0049 -10.8229 -10.8229 -8.3182 -8.3182 0.5498 0.5498 4.2215 4.2215 4.4222 4.4222 6.7874 6.7874 7.2171 7.2171 7.8102 7.8102 9.0276 9.0276 9.1347 9.1347 9.4547 9.4547 12.1720 12.1720 12.3411 12.3411 15.8137 15.8137 20.7254 20.7254 k = 0.1154-0.1621-0.0999 ( 2537 PWs) bands (ev): -82.1279 -82.1279 -47.7920 -47.7920 -46.0971 -46.0971 -46.0051 -46.0051 -10.8039 -10.8039 -8.3213 -8.3213 0.5733 0.5733 4.2064 4.2064 4.4334 4.4334 6.6958 6.6958 7.1781 7.1781 7.8152 7.8152 9.0416 9.0416 9.1670 9.1670 9.4661 9.4661 12.1387 12.1387 12.3272 12.3272 15.8802 15.8802 20.7992 20.7992 k = 0.1231-0.1729-0.1066 ( 2537 PWs) bands (ev): -82.1277 -82.1277 -47.7925 -47.7925 -46.0979 -46.0979 -46.0052 -46.0052 -10.7838 -10.7838 -8.3245 -8.3245 0.5981 0.5981 4.1911 4.1911 4.4452 4.4452 6.6022 6.6022 7.1387 7.1387 7.8193 7.8193 9.0550 9.0550 9.1995 9.1995 9.4782 9.4782 12.1057 12.1057 12.3131 12.3131 15.9494 15.9494 20.8761 20.8761 k = 0.1308-0.1837-0.1133 ( 2535 PWs) bands (ev): -82.1275 -82.1275 -47.7929 -47.7929 -46.0988 -46.0988 -46.0052 -46.0052 -10.7625 -10.7625 -8.3279 -8.3279 0.6243 0.6243 4.1756 4.1756 4.4576 4.4576 6.5070 6.5070 7.0992 7.0992 7.8223 7.8223 9.0674 9.0674 9.2317 9.2317 9.4905 9.4905 12.0728 12.0728 12.2991 12.2991 16.0210 16.0210 20.9559 20.9559 k = 0.1385-0.1945-0.1199 ( 2529 PWs) bands (ev): -82.1271 -82.1271 -47.7934 -47.7934 -46.0998 -46.0998 -46.0053 -46.0053 -10.7402 -10.7402 -8.3315 -8.3315 0.6518 0.6518 4.1598 4.1598 4.4706 4.4706 6.4105 6.4105 7.0601 7.0601 7.8238 7.8238 9.0792 9.0792 9.2642 9.2642 9.5033 9.5033 12.0397 12.0397 12.2852 12.2852 16.0948 16.0948 21.0382 21.0382 k = 0.1462-0.2053-0.1266 ( 2527 PWs) bands (ev): -82.1268 -82.1268 -47.7939 -47.7939 -46.1008 -46.1008 -46.0054 -46.0054 -10.7167 -10.7167 -8.3354 -8.3354 0.6806 0.6806 4.1438 4.1438 4.4841 4.4841 6.3130 6.3130 7.0208 7.0208 7.8238 7.8238 9.0900 9.0900 9.2946 9.2946 9.5159 9.5159 12.0069 12.0069 12.2710 12.2710 16.1705 16.1705 21.1227 21.1227 k = 0.1538-0.2161-0.1333 ( 2527 PWs) bands (ev): -82.1267 -82.1267 -47.7945 -47.7945 -46.1018 -46.1018 -46.0055 -46.0055 -10.6922 -10.6922 -8.3394 -8.3394 0.7105 0.7105 4.1277 4.1277 4.4980 4.4980 6.2150 6.2150 6.9818 6.9818 7.8220 7.8220 9.0996 9.0996 9.3239 9.3239 9.5281 9.5281 11.9745 11.9745 12.2566 12.2566 16.2477 16.2477 21.2088 21.2088 k = 0.1615-0.2269-0.1399 ( 2527 PWs) bands (ev): -82.1265 -82.1265 -47.7951 -47.7951 -46.1029 -46.1029 -46.0055 -46.0055 -10.6668 -10.6668 -8.3436 -8.3436 0.7417 0.7417 4.1115 4.1115 4.5120 4.5120 6.1165 6.1165 6.9433 6.9433 7.8183 7.8183 9.1086 9.1086 9.3517 9.3517 9.5406 9.5406 11.9431 11.9431 12.2416 12.2416 16.3263 16.3263 21.2962 21.2962 k = 0.1692-0.2377-0.1466 ( 2525 PWs) bands (ev): -82.1263 -82.1263 -47.7957 -47.7957 -46.1041 -46.1041 -46.0056 -46.0056 -10.6404 -10.6404 -8.3481 -8.3481 0.7740 0.7740 4.0952 4.0952 4.5266 4.5266 6.0180 6.0180 6.9055 6.9055 7.8124 7.8124 9.1162 9.1162 9.3790 9.3790 9.5534 9.5534 11.9127 11.9127 12.2273 12.2273 16.4059 16.4059 21.3843 21.3843 k = 0.1769-0.2485-0.1532 ( 2521 PWs) bands (ev): -82.1259 -82.1259 -47.7962 -47.7962 -46.1052 -46.1052 -46.0057 -46.0057 -10.6130 -10.6130 -8.3527 -8.3527 0.8074 0.8074 4.0789 4.0789 4.5415 4.5415 5.9200 5.9200 6.8683 6.8683 7.8043 7.8043 9.1236 9.1236 9.4047 9.4047 9.5662 9.5662 11.8836 11.8836 12.2132 12.2132 16.4864 16.4864 21.4728 21.4728 k = 0.1846-0.2593-0.1599 ( 2521 PWs) bands (ev): -82.1257 -82.1257 -47.7969 -47.7969 -46.1064 -46.1064 -46.0058 -46.0058 -10.5848 -10.5848 -8.3575 -8.3575 0.8417 0.8417 4.0624 4.0624 4.5564 4.5564 5.8226 5.8226 6.8319 6.8319 7.7938 7.7938 9.1294 9.1294 9.4288 9.4288 9.5782 9.5782 11.8561 11.8561 12.1991 12.1991 16.5673 16.5673 21.5608 21.5608 k = 0.1923-0.2701-0.1666 ( 2523 PWs) bands (ev): -82.1256 -82.1256 -47.7976 -47.7976 -46.1076 -46.1076 -46.0059 -46.0059 -10.5558 -10.5558 -8.3626 -8.3626 0.8769 0.8769 4.0457 4.0457 4.5714 4.5714 5.7262 5.7262 6.7964 6.7964 7.7807 7.7807 9.1343 9.1343 9.4513 9.4513 9.5899 9.5899 11.8300 11.8300 12.1847 12.1847 16.6485 16.6485 21.6480 21.6480 k = 0.2000-0.2809-0.1732 ( 2521 PWs) bands (ev): -82.1253 -82.1253 -47.7982 -47.7982 -46.1088 -46.1088 -46.0060 -46.0060 -10.5259 -10.5259 -8.3678 -8.3678 0.9130 0.9130 4.0287 4.0287 4.5867 4.5867 5.6313 5.6313 6.7620 6.7620 7.7651 7.7651 9.1388 9.1388 9.4725 9.4725 9.6013 9.6013 11.8062 11.8062 12.1715 12.1715 16.7298 16.7298 21.7335 21.7335 k = 0.2077-0.2917-0.1799 ( 2515 PWs) bands (ev): -82.1249 -82.1249 -47.7988 -47.7988 -46.1100 -46.1100 -46.0060 -46.0060 -10.4954 -10.4954 -8.3732 -8.3732 0.9499 0.9499 4.0115 4.0115 4.6020 4.6020 5.5383 5.5383 6.7288 6.7288 7.7467 7.7467 9.1427 9.1427 9.4923 9.4923 9.6125 9.6125 11.7858 11.7858 12.1589 12.1589 16.8110 16.8110 21.8167 21.8167 k = 0.2154-0.3025-0.1866 ( 2513 PWs) bands (ev): -82.1246 -82.1246 -47.7995 -47.7995 -46.1113 -46.1113 -46.0061 -46.0061 -10.4641 -10.4641 -8.3789 -8.3789 0.9875 0.9875 3.9934 3.9934 4.6172 4.6172 5.4476 5.4476 6.6967 6.6967 7.7255 7.7255 9.1453 9.1453 9.5101 9.5101 9.6232 9.6232 11.7664 11.7664 12.1467 12.1467 16.8917 16.8917 21.8963 21.8963 k = 0.2231-0.3133-0.1932 ( 2519 PWs) bands (ev): -82.1247 -82.1247 -47.8002 -47.8002 -46.1127 -46.1127 -46.0062 -46.0062 -10.4322 -10.4322 -8.3847 -8.3847 1.0257 1.0257 3.9745 3.9745 4.6321 4.6321 5.3596 5.3596 6.6657 6.6657 7.7014 7.7014 9.1461 9.1461 9.5251 9.5251 9.6324 9.6324 11.7490 11.7490 12.1347 12.1347 16.9719 16.9719 21.9712 21.9712 k = 0.2308-0.3241-0.1999 ( 2517 PWs) bands (ev): -82.1244 -82.1244 -47.8009 -47.8009 -46.1139 -46.1139 -46.0063 -46.0063 -10.3998 -10.3998 -8.3907 -8.3907 1.0644 1.0644 3.9544 3.9544 4.6471 4.6471 5.2751 5.2751 6.6362 6.6362 7.6745 7.6745 9.1472 9.1472 9.5391 9.5391 9.6418 9.6418 11.7344 11.7344 12.1244 12.1244 17.0514 17.0514 22.0401 22.0401 k = 0.2385-0.3349-0.2066 ( 2517 PWs) bands (ev): -82.1242 -82.1242 -47.8016 -47.8016 -46.1152 -46.1152 -46.0064 -46.0064 -10.3668 -10.3668 -8.3969 -8.3969 1.1036 1.1036 3.9330 3.9330 4.6617 4.6617 5.1946 5.1946 6.6081 6.6081 7.6446 7.6446 9.1475 9.1475 9.5510 9.5510 9.6500 9.6500 11.7226 11.7226 12.1143 12.1143 17.1301 17.1301 22.1013 22.1014 k = 0.2462-0.3457-0.2132 ( 2519 PWs) bands (ev): -82.1241 -82.1241 -47.8024 -47.8024 -46.1166 -46.1166 -46.0065 -46.0065 -10.3334 -10.3334 -8.4033 -8.4033 1.1432 1.1432 3.9095 3.9095 4.6759 4.6759 5.1185 5.1185 6.5814 6.5814 7.6119 7.6119 9.1465 9.1465 9.5612 9.5612 9.6578 9.6578 11.7128 11.7128 12.1049 12.1049 17.2076 17.2076 22.1526 22.1526 k = 0.2538-0.3565-0.2199 ( 2519 PWs) bands (ev): -82.1239 -82.1239 -47.8031 -47.8031 -46.1179 -46.1179 -46.0066 -46.0066 -10.2996 -10.2996 -8.4098 -8.4098 1.1831 1.1831 3.8837 3.8837 4.6898 4.6898 5.0478 5.0478 6.5564 6.5564 7.5763 7.5763 9.1454 9.1454 9.5697 9.5697 9.6649 9.6649 11.7056 11.7056 12.0964 12.0964 17.2840 17.2840 22.1916 22.1916 k = 0.2615-0.3673-0.2265 ( 2518 PWs) bands (ev): -82.1236 -82.1236 -47.8038 -47.8038 -46.1192 -46.1192 -46.0067 -46.0067 -10.2654 -10.2654 -8.4166 -8.4166 1.2231 1.2231 3.8551 3.8551 4.7032 4.7032 4.9830 4.9830 6.5329 6.5329 7.5379 7.5379 9.1435 9.1435 9.5766 9.5766 9.6715 9.6715 11.7007 11.7007 12.0891 12.0891 17.3591 17.3591 22.2156 22.2156 k = 0.2692-0.3781-0.2332 ( 2519 PWs) bands (ev): -82.1235 -82.1235 -47.8045 -47.8045 -46.1205 -46.1205 -46.0068 -46.0068 -10.2310 -10.2310 -8.4235 -8.4235 1.2633 1.2633 3.8233 3.8233 4.7160 4.7160 4.9247 4.9247 6.5111 6.5111 7.4967 7.4967 9.1410 9.1410 9.5820 9.5820 9.6772 9.6772 11.6978 11.6978 12.0819 12.0819 17.4329 17.4329 22.2216 22.2216 k = 0.2769-0.3889-0.2399 ( 2520 PWs) bands (ev): -82.1233 -82.1233 -47.8052 -47.8052 -46.1218 -46.1218 -46.0069 -46.0069 -10.1963 -10.1963 -8.4306 -8.4306 1.3035 1.3035 3.7880 3.7880 4.7283 4.7283 4.8733 4.8733 6.4910 6.4910 7.4528 7.4528 9.1379 9.1379 9.5854 9.5854 9.6822 9.6822 11.6973 11.6973 12.0761 12.0761 17.5051 17.5051 22.2077 22.2077 k = 0.2846-0.3997-0.2465 ( 2522 PWs) bands (ev): -82.1232 -82.1232 -47.8059 -47.8059 -46.1232 -46.1232 -46.0070 -46.0070 -10.1615 -10.1615 -8.4379 -8.4379 1.3436 1.3436 3.7490 3.7490 4.7398 4.7398 4.8293 4.8293 6.4725 6.4725 7.4063 7.4063 9.1343 9.1343 9.5871 9.5871 9.6864 9.6864 11.6989 11.6989 12.0705 12.0705 17.5758 17.5758 22.1735 22.1735 k = 0.2923-0.4106-0.2532 ( 2522 PWs) bands (ev): -82.1230 -82.1230 -47.8066 -47.8066 -46.1245 -46.1245 -46.0071 -46.0071 -10.1267 -10.1267 -8.4454 -8.4454 1.3836 1.3836 3.7063 3.7063 4.7504 4.7504 4.7929 4.7929 6.4559 6.4559 7.3574 7.3574 9.1310 9.1310 9.5877 9.5877 9.6904 9.6904 11.7031 11.7031 12.0648 12.0648 17.6450 17.6450 22.1203 22.1203 k = 0.3000-0.4214-0.2599 ( 2518 PWs) bands (ev): -82.1226 -82.1226 -47.8073 -47.8073 -46.1257 -46.1257 -46.0071 -46.0071 -10.0919 -10.0919 -8.4530 -8.4530 1.4233 1.4233 3.6599 3.6599 4.7605 4.7605 4.7645 4.7645 6.4409 6.4409 7.3061 7.3061 9.1268 9.1268 9.5866 9.5866 9.6943 9.6943 11.7087 11.7087 12.0625 12.0625 17.7125 17.7125 22.0510 22.0510 k = 0.3077-0.4322-0.2665 ( 2516 PWs) bands (ev): -82.1223 -82.1223 -47.8079 -47.8079 -46.1269 -46.1269 -46.0071 -46.0071 -10.0571 -10.0571 -8.4608 -8.4608 1.4626 1.4626 3.6104 3.6104 4.7427 4.7427 4.7703 4.7703 6.4277 6.4277 7.2525 7.2525 9.1223 9.1223 9.5840 9.5840 9.6979 9.6979 11.7157 11.7157 12.0599 12.0599 17.7783 17.7783 21.9690 21.9690 k = 0.3154-0.4430-0.2732 ( 2516 PWs) bands (ev): -82.1221 -82.1221 -47.8086 -47.8086 -46.1282 -46.1282 -46.0072 -46.0072 -10.0225 -10.0225 -8.4687 -8.4687 1.5015 1.5015 3.5580 3.5580 4.7284 4.7284 4.7789 4.7789 6.4161 6.4161 7.1968 7.1968 9.1172 9.1172 9.5799 9.5799 9.7005 9.7005 11.7242 11.7242 12.0581 12.0581 17.8425 17.8425 21.8775 21.8775 k = 0.3231-0.4538-0.2798 ( 2515 PWs) bands (ev): -82.1219 -82.1219 -47.8092 -47.8092 -46.1293 -46.1293 -46.0073 -46.0073 -9.9882 -9.9882 -8.4767 -8.4767 1.5399 1.5399 3.5035 3.5035 4.7207 4.7207 4.7867 4.7867 6.4062 6.4062 7.1391 7.1391 9.1118 9.1118 9.5746 9.5746 9.7032 9.7032 11.7338 11.7338 12.0572 12.0572 17.9051 17.9051 21.7795 21.7795 k = 0.3308-0.4646-0.2865 ( 2515 PWs) bands (ev): -82.1217 -82.1217 -47.8099 -47.8099 -46.1305 -46.1305 -46.0073 -46.0073 -9.9541 -9.9541 -8.4849 -8.4849 1.5776 1.5776 3.4474 3.4474 4.7193 4.7193 4.7937 4.7937 6.3979 6.3979 7.0796 7.0796 9.1058 9.1058 9.5677 9.5677 9.7060 9.7060 11.7443 11.7443 12.0569 12.0569 17.9659 17.9659 21.6772 21.6772 k = 0.3385-0.4754-0.2932 ( 2517 PWs) bands (ev): -82.1216 -82.1216 -47.8105 -47.8105 -46.1317 -46.1317 -46.0074 -46.0074 -9.9205 -9.9205 -8.4932 -8.4932 1.6147 1.6147 3.3901 3.3901 4.7235 4.7235 4.7999 4.7999 6.3912 6.3912 7.0184 7.0184 9.0999 9.0999 9.5594 9.5594 9.7076 9.7076 11.7559 11.7559 12.0570 12.0570 18.0253 18.0253 21.5723 21.5723 k = 0.3462-0.4862-0.2998 ( 2517 PWs) bands (ev): -82.1215 -82.1215 -47.8111 -47.8111 -46.1328 -46.1328 -46.0075 -46.0075 -9.8874 -9.8874 -8.5016 -8.5016 1.6509 1.6509 3.3324 3.3324 4.7329 4.7329 4.8054 4.8054 6.3860 6.3860 6.9557 6.9557 9.0937 9.0937 9.5508 9.5508 9.7094 9.7094 11.7683 11.7683 12.0578 12.0578 18.0831 18.0831 21.4664 21.4664 k = 0.3538-0.4970-0.3065 ( 2513 PWs) bands (ev): -82.1211 -82.1211 -47.8116 -47.8116 -46.1339 -46.1339 -46.0075 -46.0075 -9.8548 -9.8548 -8.5100 -8.5100 1.6862 1.6862 3.2749 3.2749 4.7471 4.7471 4.8104 4.8104 6.3821 6.3821 6.8916 6.8916 9.0880 9.0880 9.5413 9.5413 9.7112 9.7112 11.7814 11.7814 12.0603 12.0603 18.1393 18.1393 21.3604 21.3604 k = 0.3615-0.5078-0.3132 ( 2516 PWs) bands (ev): -82.1211 -82.1211 -47.8122 -47.8122 -46.1349 -46.1349 -46.0075 -46.0075 -9.8230 -9.8230 -8.5185 -8.5185 1.7206 1.7206 3.2178 3.2178 4.7657 4.7657 4.8143 4.8143 6.3795 6.3795 6.8263 6.8263 9.0818 9.0818 9.5306 9.5306 9.7119 9.7119 11.7945 11.7945 12.0618 12.0618 18.1942 18.1942 21.2549 21.2549 k = 0.3692-0.5186-0.3198 ( 2516 PWs) bands (ev): -82.1210 -82.1210 -47.8128 -47.8128 -46.1359 -46.1359 -46.0075 -46.0075 -9.7919 -9.7919 -8.5271 -8.5271 1.7540 1.7540 3.1617 3.1617 4.7884 4.7884 4.8178 4.8178 6.3781 6.3781 6.7599 6.7599 9.0757 9.0757 9.5193 9.5193 9.7132 9.7132 11.8088 11.8088 12.0638 12.0638 18.2476 18.2476 21.1508 21.1508 k = 0.3769-0.5294-0.3265 ( 2516 PWs) bands (ev): -82.1208 -82.1208 -47.8133 -47.8133 -46.1369 -46.1369 -46.0076 -46.0076 -9.7616 -9.7616 -8.5356 -8.5356 1.7863 1.7863 3.1069 3.1069 4.8137 4.8137 4.8217 4.8217 6.3778 6.3778 6.6926 6.6926 9.0698 9.0698 9.5081 9.5081 9.7140 9.7140 11.8224 11.8224 12.0662 12.0662 18.2997 18.2997 21.0486 21.0486 k = 0.3846-0.5402-0.3332 ( 2514 PWs) bands (ev): -82.1206 -82.1206 -47.8138 -47.8138 -46.1378 -46.1378 -46.0076 -46.0076 -9.7324 -9.7324 -8.5441 -8.5441 1.8174 1.8174 3.0537 3.0537 4.8218 4.8218 4.8458 4.8458 6.3783 6.3783 6.6246 6.6246 9.0639 9.0639 9.4967 9.4967 9.7158 9.7158 11.8359 11.8359 12.0688 12.0688 18.3506 18.3506 20.9487 20.9487 k = 0.3923-0.5510-0.3398 ( 2514 PWs) bands (ev): -82.1204 -82.1204 -47.8142 -47.8142 -46.1386 -46.1386 -46.0077 -46.0077 -9.7042 -9.7042 -8.5525 -8.5525 1.8473 1.8473 3.0025 3.0025 4.8237 4.8237 4.8788 4.8788 6.3796 6.3796 6.5560 6.5560 9.0581 9.0581 9.4855 9.4855 9.7167 9.7167 11.8482 11.8482 12.0719 12.0719 18.4001 18.4001 20.8516 20.8516 k = 0.4000-0.5618-0.3465 ( 2514 PWs) bands (ev): -82.1203 -82.1203 -47.8147 -47.8147 -46.1394 -46.1394 -46.0077 -46.0077 -9.6772 -9.6772 -8.5607 -8.5607 1.8760 1.8760 2.9533 2.9533 4.8250 4.8250 4.9152 4.9152 6.3812 6.3812 6.4872 6.4872 9.0529 9.0529 9.4735 9.4735 9.7170 9.7170 11.8611 11.8611 12.0753 12.0753 18.4484 18.4484 20.7575 20.7575 k = 0.4077-0.5726-0.3531 ( 2513 PWs) bands (ev): -82.1202 -82.1202 -47.8151 -47.8151 -46.1402 -46.1402 -46.0077 -46.0077 -9.6515 -9.6515 -8.5688 -8.5688 1.9032 1.9032 2.9066 2.9066 4.8258 4.8258 4.9544 4.9544 6.3816 6.3816 6.4198 6.4198 9.0476 9.0476 9.4622 9.4622 9.7182 9.7182 11.8734 11.8734 12.0782 12.0782 18.4953 18.4953 20.6669 20.6669 k = 0.4154-0.5834-0.3598 ( 2515 PWs) bands (ev): -82.1201 -82.1201 -47.8155 -47.8155 -46.1409 -46.1409 -46.0078 -46.0078 -9.6273 -9.6273 -8.5766 -8.5766 1.9291 1.9291 2.8624 2.8624 4.8261 4.8261 4.9964 4.9964 6.3439 6.3439 6.3906 6.3906 9.0412 9.0412 9.4513 9.4513 9.7193 9.7193 11.8852 11.8852 12.0808 12.0808 18.5409 18.5409 20.5801 20.5801 k = 0.4231-0.5942-0.3665 ( 2515 PWs) bands (ev): -82.1200 -82.1200 -47.8158 -47.8158 -46.1415 -46.1415 -46.0078 -46.0078 -9.6046 -9.6046 -8.5842 -8.5842 1.9535 1.9535 2.8209 2.8209 4.8265 4.8265 5.0410 5.0410 6.2756 6.2756 6.3922 6.3922 9.0361 9.0361 9.4410 9.4410 9.7200 9.7200 11.8957 11.8957 12.0841 12.0841 18.5850 18.5850 20.4975 20.4975 k = 0.4308-0.6050-0.3731 ( 2516 PWs) bands (ev): -82.1200 -82.1200 -47.8162 -47.8162 -46.1421 -46.1421 -46.0078 -46.0078 -9.5835 -9.5835 -8.5913 -8.5913 1.9763 1.9763 2.7824 2.7824 4.8263 4.8263 5.0879 5.0879 6.2061 6.2061 6.3952 6.3952 9.0326 9.0326 9.4308 9.4308 9.7195 9.7195 11.9058 11.9058 12.0866 12.0866 18.6274 18.6274 20.4195 20.4195 k = 0.4385-0.6158-0.3798 ( 2515 PWs) bands (ev): -82.1199 -82.1199 -47.8164 -47.8164 -46.1427 -46.1427 -46.0078 -46.0078 -9.5642 -9.5642 -8.5980 -8.5980 1.9974 1.9974 2.7470 2.7470 4.8262 4.8262 5.1372 5.1372 6.1365 6.1365 6.3985 6.3985 9.0284 9.0284 9.4218 9.4218 9.7202 9.7202 11.9152 11.9152 12.0893 12.0893 18.6678 18.6678 20.3467 20.3467 k = 0.4462-0.6266-0.3865 ( 2512 PWs) bands (ev): -82.1197 -82.1197 -47.8167 -47.8167 -46.1431 -46.1431 -46.0078 -46.0078 -9.5468 -9.5468 -8.6042 -8.6042 2.0167 2.0167 2.7150 2.7150 4.8259 4.8259 5.1887 5.1887 6.0672 6.0672 6.4017 6.4017 9.0248 9.0248 9.4138 9.4138 9.7210 9.7210 11.9241 11.9241 12.0919 12.0919 18.7060 18.7060 20.2796 20.2796 k = 0.4538-0.6374-0.3931 ( 2512 PWs) bands (ev): -82.1196 -82.1196 -47.8169 -47.8169 -46.1435 -46.1435 -46.0078 -46.0078 -9.5315 -9.5315 -8.6098 -8.6098 2.0341 2.0341 2.6864 2.6864 4.8256 4.8256 5.2421 5.2421 5.9982 5.9982 6.4047 6.4047 9.0215 9.0215 9.4063 9.4063 9.7214 9.7214 11.9315 11.9315 12.0940 12.0940 18.7413 18.7413 20.2188 20.2188 k = 0.4615-0.6482-0.3998 ( 2514 PWs) bands (ev): -82.1196 -82.1196 -47.8171 -47.8171 -46.1439 -46.1439 -46.0079 -46.0079 -9.5183 -9.5183 -8.6146 -8.6146 2.0494 2.0494 2.6616 2.6616 4.8252 4.8252 5.2973 5.2973 5.9296 5.9296 6.4074 6.4074 9.0186 9.0186 9.3997 9.3997 9.7217 9.7217 11.9374 11.9374 12.0955 12.0955 18.7731 18.7731 20.1651 20.1651 k = 0.4692-0.6590-0.4064 ( 2520 PWs) bands (ev): -82.1199 -82.1199 -47.8174 -47.8174 -46.1443 -46.1443 -46.0079 -46.0079 -9.5073 -9.5073 -8.6187 -8.6187 2.0623 2.0623 2.6408 2.6408 4.8247 4.8247 5.3543 5.3543 5.8617 5.8617 6.4097 6.4097 9.0168 9.0168 9.3918 9.3918 9.7215 9.7215 11.9420 11.9420 12.0964 12.0964 18.8008 18.8008 20.1194 20.1194 k = 0.4769-0.6699-0.4131 ( 2523 PWs) bands (ev): -82.1200 -82.1200 -47.8175 -47.8175 -46.1445 -46.1445 -46.0079 -46.0079 -9.4987 -9.4987 -8.6220 -8.6220 2.0727 2.0727 2.6241 2.6241 4.8243 4.8243 5.4130 5.4130 5.7946 5.7946 6.4116 6.4116 9.0148 9.0148 9.3873 9.3873 9.7209 9.7209 11.9460 11.9460 12.0974 12.0974 18.8236 18.8236 20.0825 20.0825 k = 0.4846-0.6807-0.4198 ( 2522 PWs) bands (ev): -82.1199 -82.1199 -47.8176 -47.8176 -46.1447 -46.1447 -46.0079 -46.0079 -9.4924 -9.4924 -8.6244 -8.6244 2.0804 2.0804 2.6121 2.6121 4.8241 4.8241 5.4731 5.4731 5.7285 5.7285 6.4130 6.4130 9.0138 9.0138 9.3842 9.3842 9.7210 9.7210 11.9490 11.9490 12.0982 12.0982 18.8406 18.8406 20.0554 20.0554 k = 0.4923-0.6915-0.4264 ( 2526 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1449 -46.1449 -46.0079 -46.0079 -9.4887 -9.4887 -8.6258 -8.6258 2.0851 2.0851 2.6048 2.6048 4.8237 4.8237 5.5343 5.5343 5.6637 5.6637 6.4139 6.4139 9.0128 9.0128 9.3815 9.3815 9.7210 9.7210 11.9505 11.9505 12.0981 12.0981 18.8511 18.8511 20.0387 20.0387 k = 0.5000-0.7023-0.4331 ( 2526 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1449 -46.1449 -46.0079 -46.0079 -9.4874 -9.4874 -8.6263 -8.6263 2.0866 2.0866 2.6023 2.6023 4.8237 4.8237 5.5867 5.5867 5.6101 5.6101 6.4142 6.4142 9.0125 9.0125 9.3814 9.3814 9.7206 9.7206 11.9511 11.9511 12.0983 12.0983 18.8547 18.8547 20.0331 20.0331 k = 0.5000-0.7023-0.4331 ( 2526 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1449 -46.1449 -46.0079 -46.0079 -9.4874 -9.4874 -8.6263 -8.6263 2.0866 2.0866 2.6023 2.6023 4.8237 4.8237 5.5867 5.5867 5.6101 5.6101 6.4142 6.4142 9.0125 9.0125 9.3814 9.3814 9.7206 9.7206 11.9511 11.9511 12.0983 12.0983 18.8547 18.8547 20.0331 20.0331 k = 0.5000-0.6945-0.4458 ( 2526 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1449 -46.1449 -46.0079 -46.0079 -9.4873 -9.4873 -8.6261 -8.6261 2.0867 2.0867 2.6033 2.6033 4.8212 4.8212 5.5893 5.5893 5.6101 5.6101 6.4113 6.4113 9.0134 9.0134 9.3809 9.3809 9.7208 9.7208 11.9511 11.9511 12.0971 12.0971 18.8575 18.8575 20.0342 20.0342 k = 0.5000-0.6866-0.4584 ( 2524 PWs) bands (ev): -82.1200 -82.1200 -47.8177 -47.8177 -46.1449 -46.1449 -46.0079 -46.0079 -9.4870 -9.4870 -8.6255 -8.6255 2.0871 2.0871 2.6064 2.6064 4.8137 4.8137 5.5970 5.5970 5.6104 5.6104 6.4025 6.4025 9.0164 9.0164 9.3810 9.3810 9.7219 9.7219 11.9507 11.9507 12.0924 12.0924 18.8660 18.8660 20.0375 20.0375 k = 0.5000-0.6788-0.4711 ( 2516 PWs) bands (ev): -82.1196 -82.1196 -47.8176 -47.8176 -46.1448 -46.1448 -46.0079 -46.0079 -9.4866 -9.4866 -8.6244 -8.6244 2.0876 2.0876 2.6117 2.6117 4.8018 4.8018 5.6076 5.6076 5.6123 5.6123 6.3881 6.3881 9.0217 9.0217 9.3826 9.3826 9.7244 9.7244 11.9494 11.9494 12.0851 12.0851 18.8800 18.8800 20.0432 20.0432 k = 0.5000-0.6710-0.4837 ( 2516 PWs) bands (ev): -82.1196 -82.1196 -47.8177 -47.8177 -46.1449 -46.1449 -46.0079 -46.0079 -9.4859 -9.4859 -8.6229 -8.6229 2.0883 2.0883 2.6191 2.6191 4.7855 4.7855 5.6093 5.6093 5.6272 5.6272 6.3684 6.3684 9.0279 9.0279 9.3827 9.3827 9.7270 9.7270 11.9474 11.9474 12.0736 12.0736 18.8994 18.8994 20.0509 20.0509 k = 0.5000-0.6632-0.4964 ( 2514 PWs) bands (ev): -82.1195 -82.1195 -47.8177 -47.8177 -46.1449 -46.1449 -46.0080 -46.0080 -9.4851 -9.4851 -8.6210 -8.6210 2.0893 2.0893 2.6284 2.6284 4.7657 4.7657 5.6090 5.6090 5.6475 5.6475 6.3436 6.3436 9.0355 9.0355 9.3831 9.3831 9.7304 9.7304 11.9451 11.9451 12.0593 12.0593 18.9241 18.9241 20.0609 20.0609 k = 0.5000-0.6554-0.5090 ( 2514 PWs) bands (ev): -82.1195 -82.1195 -47.8177 -47.8177 -46.1450 -46.1450 -46.0081 -46.0081 -9.4840 -9.4840 -8.6188 -8.6188 2.0904 2.0904 2.6399 2.6399 4.7429 4.7429 5.6080 5.6080 5.6708 5.6708 6.3143 6.3143 9.0442 9.0442 9.3839 9.3839 9.7345 9.7345 11.9417 11.9417 12.0416 12.0416 18.9540 18.9540 20.0730 20.0730 k = 0.5000-0.6476-0.5217 ( 2514 PWs) bands (ev): -82.1194 -82.1194 -47.8178 -47.8178 -46.1450 -46.1450 -46.0082 -46.0082 -9.4828 -9.4828 -8.6161 -8.6161 2.0917 2.0917 2.6533 2.6533 4.7180 4.7180 5.6063 5.6063 5.6965 5.6965 6.2810 6.2810 9.0533 9.0533 9.3845 9.3845 9.7392 9.7392 11.9375 11.9375 12.0223 12.0223 18.9886 18.9886 20.0872 20.0872 k = 0.5000-0.6398-0.5344 ( 2512 PWs) bands (ev): -82.1193 -82.1193 -47.8178 -47.8178 -46.1451 -46.1451 -46.0082 -46.0082 -9.4814 -9.4814 -8.6131 -8.6131 2.0932 2.0932 2.6689 2.6689 4.6913 4.6913 5.6036 5.6036 5.7239 5.7239 6.2445 6.2445 9.0633 9.0633 9.3852 9.3852 9.7456 9.7456 11.9324 11.9324 12.0010 12.0010 19.0279 19.0279 20.1035 20.1035 k = 0.5000-0.6320-0.5470 ( 2508 PWs) bands (ev): -82.1191 -82.1191 -47.8179 -47.8179 -46.1452 -46.1452 -46.0083 -46.0083 -9.4799 -9.4799 -8.6098 -8.6098 2.0949 2.0949 2.6864 2.6864 4.6635 4.6635 5.5998 5.5998 5.7525 5.7525 6.2054 6.2054 9.0735 9.0735 9.3861 9.3861 9.7524 9.7524 11.9263 11.9263 11.9789 11.9789 19.0715 19.0715 20.1219 20.1219 k = 0.5000-0.6242-0.5597 ( 2506 PWs) bands (ev): -82.1190 -82.1190 -47.8179 -47.8179 -46.1453 -46.1453 -46.0084 -46.0084 -9.4781 -9.4781 -8.6061 -8.6061 2.0967 2.0967 2.7059 2.7059 4.6349 4.6349 5.5938 5.5938 5.7817 5.7817 6.1648 6.1648 9.0833 9.0833 9.3866 9.3866 9.7600 9.7600 11.9171 11.9171 11.9578 11.9578 19.1190 19.1190 20.1423 20.1423 k = 0.5000-0.6164-0.5723 ( 2508 PWs) bands (ev): -82.1190 -82.1190 -47.8181 -47.8181 -46.1454 -46.1454 -46.0085 -46.0085 -9.4762 -9.4762 -8.6022 -8.6022 2.0986 2.0986 2.7273 2.7273 4.6058 4.6058 5.5850 5.5850 5.8112 5.8112 6.1237 6.1237 9.0924 9.0924 9.3863 9.3863 9.7682 9.7682 11.9016 11.9016 11.9402 11.9402 19.1703 19.1703 20.1646 20.1646 k = 0.5000-0.6086-0.5850 ( 2510 PWs) bands (ev): -82.1191 -82.1191 -47.8182 -47.8182 -46.1456 -46.1456 -46.0086 -46.0086 -9.4742 -9.4742 -8.5980 -8.5980 2.1007 2.1007 2.7506 2.7506 4.5764 4.5764 5.5726 5.5726 5.8406 5.8406 6.0835 6.0835 9.1009 9.1009 9.3869 9.3869 9.7770 9.7770 11.8787 11.8787 11.9277 11.9277 19.2249 19.2249 20.1888 20.1888 k = 0.5000-0.6008-0.5977 ( 2512 PWs) bands (ev): -82.1191 -82.1191 -47.8183 -47.8183 -46.1458 -46.1458 -46.0087 -46.0087 -9.4720 -9.4720 -8.5936 -8.5936 2.1029 2.1029 2.7758 2.7758 4.5472 4.5472 5.5556 5.5556 5.8695 5.8695 6.0456 6.0456 9.1086 9.1086 9.3873 9.3873 9.7864 9.7864 11.8519 11.8519 11.9186 11.9186 19.2826 19.2826 20.2149 20.2149 k = 0.5000-0.5930-0.6103 ( 2510 PWs) bands (ev): -82.1190 -82.1190 -47.8184 -47.8184 -46.1459 -46.1459 -46.0088 -46.0088 -9.4696 -9.4696 -8.5890 -8.5890 2.1052 2.1052 2.8029 2.8029 4.5185 4.5185 5.5330 5.5330 5.8976 5.8976 6.0114 6.0114 9.1159 9.1159 9.3886 9.3886 9.7965 9.7965 11.8237 11.8237 11.9107 11.9107 19.3429 19.3429 20.2429 20.2429 k = 0.5000-0.5852-0.6230 ( 2512 PWs) bands (ev): -82.1191 -82.1191 -47.8186 -47.8186 -46.1461 -46.1461 -46.0090 -46.0090 -9.4672 -9.4672 -8.5842 -8.5842 2.1076 2.1076 2.8318 2.8318 4.4902 4.4902 5.5040 5.5040 5.9241 5.9241 5.9825 5.9825 9.1215 9.1215 9.3894 9.3894 9.8069 9.8069 11.7941 11.7941 11.9029 11.9029 19.4057 19.4057 20.2726 20.2726 k = 0.5000-0.5774-0.6356 ( 2514 PWs) bands (ev): -82.1191 -82.1191 -47.8187 -47.8187 -46.1463 -46.1463 -46.0091 -46.0091 -9.4645 -9.4645 -8.5793 -8.5793 2.1100 2.1100 2.8624 2.8624 4.4626 4.4626 5.4681 5.4681 5.9436 5.9436 5.9649 5.9649 9.1251 9.1251 9.3909 9.3909 9.8178 9.8178 11.7646 11.7646 11.8953 11.8953 19.4706 19.4706 20.3040 20.3040 k = 0.5000-0.5695-0.6483 ( 2516 PWs) bands (ev): -82.1191 -82.1191 -47.8189 -47.8189 -46.1465 -46.1465 -46.0093 -46.0093 -9.4618 -9.4618 -8.5743 -8.5743 2.1125 2.1125 2.8947 2.8947 4.4358 4.4358 5.4255 5.4255 5.9346 5.9346 5.9800 5.9800 9.1283 9.1283 9.3919 9.3919 9.8288 9.8288 11.7352 11.7352 11.8877 11.8877 19.5371 19.5371 20.3371 20.3371 k = 0.5000-0.5617-0.6609 ( 2512 PWs) bands (ev): -82.1189 -82.1189 -47.8190 -47.8190 -46.1466 -46.1466 -46.0094 -46.0094 -9.4589 -9.4589 -8.5693 -8.5693 2.1150 2.1150 2.9287 2.9287 4.4101 4.4101 5.3770 5.3770 5.9222 5.9222 6.0023 6.0023 9.1301 9.1301 9.3941 9.3941 9.8403 9.8403 11.7077 11.7077 11.8808 11.8808 19.6052 19.6052 20.3718 20.3718 k = 0.5000-0.5539-0.6736 ( 2516 PWs) bands (ev): -82.1191 -82.1191 -47.8191 -47.8191 -46.1469 -46.1469 -46.0095 -46.0095 -9.4560 -9.4560 -8.5643 -8.5643 2.1175 2.1175 2.9642 2.9642 4.3854 4.3854 5.3233 5.3233 5.9133 5.9133 6.0238 6.0238 9.1308 9.1308 9.3952 9.3952 9.8510 9.8510 11.6799 11.6799 11.8727 11.8727 19.6744 19.6744 20.4080 20.4080 k = 0.5000-0.5461-0.6863 ( 2512 PWs) bands (ev): -82.1188 -82.1188 -47.8192 -47.8192 -46.1470 -46.1470 -46.0096 -46.0096 -9.4529 -9.4529 -8.5593 -8.5593 2.1199 2.1199 3.0013 3.0013 4.3619 4.3619 5.2657 5.2657 5.9080 5.9080 6.0437 6.0437 9.1312 9.1312 9.3977 9.3977 9.8617 9.8617 11.6543 11.6543 11.8654 11.8654 19.7446 19.7446 20.4459 20.4459 k = 0.5000-0.5383-0.6989 ( 2510 PWs) bands (ev): -82.1187 -82.1187 -47.8193 -47.8193 -46.1472 -46.1472 -46.0097 -46.0097 -9.4498 -9.4498 -8.5545 -8.5545 2.1223 2.1223 3.0399 3.0399 4.3397 4.3397 5.2050 5.2050 5.9055 5.9055 6.0618 6.0618 9.1305 9.1305 9.4007 9.4007 9.8716 9.8716 11.6296 11.6296 11.8578 11.8578 19.8155 19.8155 20.4852 20.4852 k = 0.5000-0.5305-0.7116 ( 2510 PWs) bands (ev): -82.1186 -82.1186 -47.8195 -47.8195 -46.1474 -46.1474 -46.0098 -46.0098 -9.4465 -9.4465 -8.5498 -8.5498 2.1246 2.1246 3.0798 3.0798 4.3188 4.3188 5.1422 5.1422 5.9052 5.9052 6.0780 6.0780 9.1291 9.1291 9.4035 9.4035 9.8809 9.8809 11.6060 11.6060 11.8497 11.8497 19.8867 19.8867 20.5260 20.5260 k = 0.5000-0.5227-0.7242 ( 2516 PWs) bands (ev): -82.1189 -82.1189 -47.8197 -47.8197 -46.1477 -46.1477 -46.0100 -46.0100 -9.4432 -9.4432 -8.5453 -8.5453 2.1267 2.1267 3.1210 3.1210 4.2991 4.2991 5.0778 5.0778 5.9063 5.9063 6.0923 6.0923 9.1265 9.1265 9.4062 9.4062 9.8887 9.8887 11.5831 11.5831 11.8411 11.8411 19.9582 19.9582 20.5682 20.5682 k = 0.5000-0.5149-0.7369 ( 2516 PWs) bands (ev): -82.1188 -82.1188 -47.8198 -47.8198 -46.1478 -46.1478 -46.0101 -46.0101 -9.4399 -9.4399 -8.5411 -8.5411 2.1288 2.1288 3.1635 3.1635 4.2811 4.2811 5.0129 5.0129 5.9088 5.9088 6.1046 6.1046 9.1239 9.1239 9.4100 9.4100 9.8960 9.8960 11.5624 11.5624 11.8333 11.8333 20.0297 20.0297 20.6117 20.6117 k = 0.5000-0.5071-0.7496 ( 2518 PWs) bands (ev): -82.1189 -82.1189 -47.8200 -47.8200 -46.1481 -46.1481 -46.0103 -46.0103 -9.4364 -9.4364 -8.5371 -8.5371 2.1306 2.1306 3.2069 3.2069 4.2647 4.2647 4.9476 4.9476 5.9122 5.9122 6.1150 6.1150 9.1203 9.1203 9.4134 9.4134 9.9022 9.9022 11.5441 11.5441 11.8253 11.8253 20.1009 20.1009 20.6565 20.6565 k = 0.5000-0.4993-0.7622 ( 2520 PWs) bands (ev): -82.1189 -82.1189 -47.8202 -47.8202 -46.1483 -46.1483 -46.0104 -46.0104 -9.4330 -9.4330 -8.5336 -8.5336 2.1322 2.1322 3.2515 3.2515 4.2499 4.2499 4.8826 4.8826 5.9161 5.9161 6.1233 6.1233 9.1166 9.1166 9.4173 9.4173 9.9068 9.9068 11.5277 11.5277 11.8175 11.8175 20.1717 20.1717 20.7026 20.7026 k = 0.5000-0.4915-0.7749 ( 2520 PWs) bands (ev): -82.1189 -82.1189 -47.8203 -47.8203 -46.1485 -46.1485 -46.0105 -46.0105 -9.4295 -9.4295 -8.5304 -8.5304 2.1336 2.1336 3.2969 3.2969 4.2368 4.2368 4.8182 4.8182 5.9204 5.9204 6.1298 6.1298 9.1129 9.1129 9.4218 9.4218 9.9103 9.9103 11.5135 11.5135 11.8102 11.8102 20.2419 20.2419 20.7500 20.7500 k = 0.5000-0.4837-0.7875 ( 2516 PWs) bands (ev): -82.1187 -82.1187 -47.8203 -47.8203 -46.1486 -46.1486 -46.0105 -46.0105 -9.4260 -9.4260 -8.5277 -8.5277 2.1348 2.1348 3.3431 3.3431 4.2255 4.2255 4.7549 4.7549 5.9249 5.9249 6.1344 6.1344 9.1094 9.1094 9.4276 9.4276 9.9127 9.9127 11.5017 11.5017 11.8031 11.8031 20.3114 20.3114 20.7986 20.7986 k = 0.5000-0.4759-0.8002 ( 2512 PWs) bands (ev): -82.1185 -82.1185 -47.8204 -47.8204 -46.1487 -46.1487 -46.0106 -46.0106 -9.4225 -9.4225 -8.5256 -8.5256 2.1356 2.1356 3.3899 3.3899 4.2160 4.2160 4.6929 4.6929 5.9294 5.9294 6.1372 6.1372 9.1058 9.1058 9.4334 9.4334 9.9136 9.9136 11.4923 11.4923 11.7965 11.7965 20.3798 20.3798 20.8483 20.8483 k = 0.5000-0.4681-0.8129 ( 2514 PWs) bands (ev): -82.1185 -82.1185 -47.8205 -47.8205 -46.1489 -46.1489 -46.0107 -46.0107 -9.4189 -9.4189 -8.5240 -8.5240 2.1361 2.1361 3.4370 3.4370 4.2081 4.2081 4.6326 4.6326 5.9335 5.9335 6.1383 6.1383 9.1025 9.1025 9.4385 9.4385 9.9125 9.9125 11.4836 11.4836 11.7894 11.7894 20.4468 20.4468 20.8992 20.8992 k = 0.5000-0.4603-0.8255 ( 2508 PWs) bands (ev): -82.1182 -82.1182 -47.8205 -47.8205 -46.1489 -46.1489 -46.0107 -46.0107 -9.4154 -9.4154 -8.5230 -8.5230 2.1363 2.1363 3.4843 3.4843 4.2022 4.2022 4.5744 4.5744 5.9376 5.9376 6.1379 6.1379 9.1000 9.1000 9.4449 9.4449 9.9108 9.9108 11.4776 11.4776 11.7836 11.7836 20.5121 20.5121 20.9513 20.9513 k = 0.5000-0.4524-0.8382 ( 2508 PWs) bands (ev): -82.1182 -82.1182 -47.8206 -47.8206 -46.1490 -46.1490 -46.0108 -46.0108 -9.4120 -9.4120 -8.5228 -8.5228 2.1360 2.1360 3.5316 3.5316 4.1981 4.1981 4.5185 4.5185 5.9410 5.9410 6.1361 6.1361 9.0973 9.0973 9.4504 9.4504 9.9068 9.9068 11.4732 11.4732 11.7778 11.7778 20.5748 20.5748 21.0042 21.0042 k = 0.5000-0.4446-0.8508 ( 2506 PWs) bands (ev): -82.1181 -82.1181 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.4085 -9.4085 -8.5232 -8.5232 2.1354 2.1354 3.5786 3.5786 4.1959 4.1959 4.4654 4.4654 5.9441 5.9441 6.1330 6.1330 9.0956 9.0956 9.4563 9.4563 9.9018 9.9018 11.4700 11.4700 11.7726 11.7726 20.6339 20.6339 21.0583 21.0583 k = 0.5000-0.4368-0.8635 ( 2508 PWs) bands (ev): -82.1182 -82.1182 -47.8207 -47.8207 -46.1492 -46.1492 -46.0109 -46.0109 -9.4051 -9.4051 -8.5245 -8.5245 2.1344 2.1344 3.6247 3.6247 4.1956 4.1956 4.4156 4.4156 5.9463 5.9463 6.1288 6.1288 9.0939 9.0939 9.4612 9.4612 9.8948 9.8948 11.4689 11.4689 11.7674 11.7674 20.6867 20.6867 21.1131 21.1131 k = 0.5000-0.4290-0.8761 ( 2506 PWs) bands (ev): -82.1181 -82.1181 -47.8207 -47.8207 -46.1492 -46.1492 -46.0109 -46.0109 -9.4017 -9.4017 -8.5266 -8.5266 2.1329 2.1329 3.6695 3.6695 4.1974 4.1974 4.3697 4.3697 5.9480 5.9480 6.1236 6.1236 9.0932 9.0932 9.4671 9.4671 9.8867 9.8867 11.4695 11.4695 11.7628 11.7628 20.7274 20.7274 21.1053 21.1053 k = 0.5000-0.4212-0.8888 ( 2504 PWs) bands (ev): -82.1180 -82.1180 -47.8207 -47.8207 -46.1492 -46.1492 -46.0109 -46.0109 -9.3984 -9.3984 -8.5296 -8.5296 2.1310 2.1310 3.7122 3.7122 4.2012 4.2012 4.3284 4.3284 5.9487 5.9487 6.1175 6.1175 9.0934 9.0934 9.4728 9.4728 9.8774 9.8774 11.4714 11.4714 11.7587 11.7587 20.7425 20.7425 21.0476 21.0476 k = 0.5000-0.4134-0.9015 ( 2502 PWs) bands (ev): -82.1179 -82.1179 -47.8207 -47.8207 -46.1492 -46.1492 -46.0109 -46.0109 -9.3952 -9.3952 -8.5335 -8.5335 2.1287 2.1287 3.7518 3.7518 4.2070 4.2070 4.2927 4.2927 5.9485 5.9485 6.1109 6.1109 9.0944 9.0944 9.4789 9.4789 9.8663 9.8663 11.4743 11.4743 11.7553 11.7553 20.7153 20.7153 21.0319 21.0319 k = 0.5000-0.4056-0.9141 ( 2506 PWs) bands (ev): -82.1181 -82.1181 -47.8207 -47.8207 -46.1492 -46.1492 -46.0109 -46.0109 -9.3921 -9.3921 -8.5384 -8.5384 2.1259 2.1259 3.7870 3.7870 4.2145 4.2145 4.2640 4.2640 5.9472 5.9472 6.1036 6.1036 9.0964 9.0964 9.4841 9.4841 9.8538 9.8538 11.4768 11.4768 11.7515 11.7515 20.6510 20.6510 21.0533 21.0533 k = 0.5000-0.3978-0.9268 ( 2508 PWs) bands (ev): -82.1182 -82.1182 -47.8207 -47.8207 -46.1492 -46.1492 -46.0109 -46.0109 -9.3891 -9.3891 -8.5443 -8.5443 2.1226 2.1226 3.8161 3.8161 4.2241 4.2241 4.2439 4.2439 5.9449 5.9449 6.0961 6.0961 9.0993 9.0993 9.4894 9.4894 9.8400 9.8400 11.4815 11.4815 11.7481 11.7481 20.5687 20.5687 21.0930 21.0930 k = 0.5000-0.3900-0.9394 ( 2506 PWs) bands (ev): -82.1181 -82.1181 -47.8207 -47.8207 -46.1491 -46.1491 -46.0109 -46.0109 -9.3862 -9.3862 -8.5513 -8.5513 2.1189 2.1189 3.8375 3.8375 4.2327 4.2327 4.2374 4.2374 5.9417 5.9417 6.0883 6.0883 9.1035 9.1035 9.4945 9.4945 9.8258 9.8258 11.4872 11.4872 11.7458 11.7458 20.4796 20.4796 21.1399 21.1399 k = 0.5000-0.3822-0.9521 ( 2508 PWs) bands (ev): -82.1182 -82.1182 -47.8206 -47.8206 -46.1490 -46.1490 -46.0108 -46.0108 -9.3833 -9.3833 -8.5593 -8.5593 2.1148 2.1148 3.8499 3.8499 4.2351 4.2351 4.2503 4.2503 5.9373 5.9373 6.0805 6.0805 9.1088 9.1088 9.4984 9.4984 9.8105 9.8105 11.4931 11.4931 11.7435 11.7435 20.3882 20.3882 21.1894 21.1894 k = 0.5000-0.3744-0.9648 ( 2506 PWs) bands (ev): -82.1182 -82.1182 -47.8205 -47.8205 -46.1488 -46.1488 -46.0108 -46.0108 -9.3807 -9.3807 -8.5684 -8.5684 2.1103 2.1103 3.8538 3.8538 4.2475 4.2475 4.2662 4.2662 5.9318 5.9318 6.0727 6.0727 9.1154 9.1154 9.5030 9.5030 9.7942 9.7942 11.5006 11.5006 11.7414 11.7414 20.2968 20.2968 21.2397 21.2397 k = 0.8098-0.2754-0.7676 ( 2506 PWs) bands (ev): -82.1182 -82.1182 -47.8205 -47.8205 -46.1488 -46.1488 -46.0108 -46.0108 -9.3807 -9.3807 -8.5684 -8.5684 2.1103 2.1103 3.8538 3.8538 4.2475 4.2475 4.2662 4.2662 5.9318 5.9318 6.0727 6.0727 9.1154 9.1154 9.5030 9.5030 9.7942 9.7942 11.5006 11.5006 11.7414 11.7414 20.2968 20.2968 21.2397 21.2397 k = 0.8053-0.2690-0.7551 ( 2506 PWs) bands (ev): -82.1182 -82.1182 -47.8204 -47.8204 -46.1487 -46.1487 -46.0107 -46.0107 -9.3781 -9.3781 -8.5786 -8.5786 2.1055 2.1055 3.8508 3.8508 4.2688 4.2688 4.2838 4.2838 5.9252 5.9252 6.0652 6.0652 9.1235 9.1235 9.5071 9.5071 9.7777 9.7777 11.5066 11.5066 11.7396 11.7396 20.2071 20.2071 21.2892 21.2892 k = 0.8009-0.2627-0.7425 ( 2506 PWs) bands (ev): -82.1183 -82.1183 -47.8203 -47.8203 -46.1485 -46.1485 -46.0106 -46.0106 -9.3757 -9.3757 -8.5900 -8.5900 2.1003 2.1003 3.8435 3.8435 4.2964 4.2964 4.3035 4.3035 5.9174 5.9174 6.0580 6.0580 9.1335 9.1335 9.5102 9.5102 9.7600 9.7600 11.5128 11.5128 11.7391 11.7391 20.1189 20.1189 21.3378 21.3378 k = 0.7964-0.2564-0.7300 ( 2506 PWs) bands (ev): -82.1183 -82.1183 -47.8201 -47.8201 -46.1483 -46.1483 -46.0105 -46.0105 -9.3735 -9.3735 -8.6024 -8.6024 2.0949 2.0949 3.8338 3.8338 4.3245 4.3245 4.3292 4.3292 5.9086 5.9086 6.0511 6.0511 9.1443 9.1443 9.5135 9.5135 9.7428 9.7428 11.5185 11.5185 11.7380 11.7380 20.0327 20.0327 21.3852 21.3852 k = 0.7919-0.2501-0.7174 ( 2504 PWs) bands (ev): -82.1183 -82.1183 -47.8199 -47.8199 -46.1480 -46.1480 -46.0104 -46.0104 -9.3714 -9.3714 -8.6161 -8.6161 2.0892 2.0892 3.8235 3.8235 4.3481 4.3481 4.3637 4.3637 5.8987 5.8987 6.0447 6.0447 9.1566 9.1566 9.5170 9.5170 9.7259 9.7259 11.5237 11.5237 11.7368 11.7368 19.9486 19.9486 21.4313 21.4313 k = 0.7874-0.2438-0.7049 ( 2504 PWs) bands (ev): -82.1183 -82.1183 -47.8197 -47.8197 -46.1476 -46.1476 -46.0104 -46.0104 -9.3695 -9.3695 -8.6309 -8.6309 2.0834 2.0834 3.8136 3.8136 4.3734 4.3734 4.3998 4.3998 5.8877 5.8877 6.0389 6.0389 9.1702 9.1702 9.5192 9.5192 9.7087 9.7087 11.5284 11.5284 11.7362 11.7362 19.8669 19.8669 21.4757 21.4757 k = 0.7829-0.2375-0.6923 ( 2506 PWs) bands (ev): -82.1185 -82.1185 -47.8195 -47.8195 -46.1473 -46.1473 -46.0103 -46.0103 -9.3678 -9.3678 -8.6469 -8.6469 2.0774 2.0774 3.8049 3.8049 4.4005 4.4005 4.4362 4.4362 5.8756 5.8756 6.0336 6.0336 9.1850 9.1850 9.5206 9.5206 9.6915 9.6915 11.5324 11.5324 11.7357 11.7357 19.7877 19.7877 21.5182 21.5182 k = 0.7784-0.2312-0.6798 ( 2508 PWs) bands (ev): -82.1186 -82.1186 -47.8193 -47.8193 -46.1469 -46.1469 -46.0102 -46.0102 -9.3662 -9.3662 -8.6641 -8.6641 2.0713 2.0713 3.7981 3.7981 4.4292 4.4292 4.4724 4.4724 5.8627 5.8627 6.0290 6.0290 9.2013 9.2013 9.5213 9.5213 9.6751 9.6751 11.5350 11.5350 11.7354 11.7354 19.7111 19.7111 21.5589 21.5589 k = 0.7739-0.2249-0.6672 ( 2514 PWs) bands (ev): -82.1190 -82.1190 -47.8191 -47.8191 -46.1465 -46.1465 -46.0102 -46.0102 -9.3648 -9.3648 -8.6824 -8.6824 2.0651 2.0651 3.7933 3.7933 4.4596 4.4596 4.5077 4.5077 5.8488 5.8488 6.0251 6.0251 9.2185 9.2185 9.5201 9.5201 9.6595 9.6595 11.5369 11.5369 11.7346 11.7346 19.6371 19.6371 21.5974 21.5974 k = 0.7694-0.2186-0.6547 ( 2518 PWs) bands (ev): -82.1193 -82.1193 -47.8189 -47.8189 -46.1460 -46.1460 -46.0101 -46.0101 -9.3636 -9.3636 -8.7020 -8.7020 2.0591 2.0591 3.7909 3.7909 4.4916 4.4916 4.5418 4.5418 5.8342 5.8342 6.0218 6.0218 9.2372 9.2372 9.5187 9.5187 9.6454 9.6454 11.5367 11.5367 11.7347 11.7347 19.5658 19.5658 21.6337 21.6337 k = 0.7649-0.2123-0.6421 ( 2518 PWs) bands (ev): -82.1194 -82.1194 -47.8186 -47.8186 -46.1455 -46.1455 -46.0100 -46.0100 -9.3626 -9.3626 -8.7226 -8.7226 2.0532 2.0532 3.7911 3.7911 4.5253 4.5253 4.5744 4.5744 5.8190 5.8190 6.0194 6.0194 9.2572 9.2572 9.5161 9.5161 9.6330 9.6330 11.5369 11.5369 11.7353 11.7353 19.4972 19.4972 21.6677 21.6677 k = 0.7604-0.2060-0.6295 ( 2518 PWs) bands (ev): -82.1195 -82.1195 -47.8182 -47.8182 -46.1449 -46.1449 -46.0099 -46.0099 -9.3618 -9.3618 -8.7444 -8.7444 2.0475 2.0475 3.7939 3.7939 4.5604 4.5604 4.6053 4.6053 5.8032 5.8032 6.0177 6.0177 9.2783 9.2783 9.5122 9.5122 9.6224 9.6224 11.5358 11.5358 11.7361 11.7361 19.4313 19.4313 21.6993 21.6993 k = 0.7559-0.1997-0.6170 ( 2518 PWs) bands (ev): -82.1196 -82.1196 -47.8179 -47.8179 -46.1443 -46.1443 -46.0098 -46.0098 -9.3612 -9.3612 -8.7673 -8.7673 2.0421 2.0421 3.7993 3.7993 4.5969 4.5969 4.6342 4.6342 5.7870 5.7870 6.0167 6.0167 9.3001 9.3001 9.5070 9.5070 9.6140 9.6140 11.5336 11.5336 11.7372 11.7372 19.3681 19.3681 21.7281 21.7281 k = 0.7515-0.1934-0.6044 ( 2510 PWs) bands (ev): -82.1193 -82.1193 -47.8174 -47.8174 -46.1435 -46.1435 -46.0096 -46.0096 -9.3608 -9.3608 -8.7912 -8.7912 2.0371 2.0371 3.8074 3.8074 4.6348 4.6348 4.6610 4.6610 5.7706 5.7706 6.0167 6.0167 9.3232 9.3232 9.5018 9.5018 9.6089 9.6089 11.5308 11.5308 11.7387 11.7387 19.3075 19.3075 21.7544 21.7544 k = 0.7470-0.1871-0.5919 ( 2512 PWs) bands (ev): -82.1195 -82.1195 -47.8170 -47.8170 -46.1428 -46.1428 -46.0096 -46.0096 -9.3607 -9.3607 -8.8162 -8.8162 2.0324 2.0324 3.8181 3.8181 4.6733 4.6733 4.6856 4.6856 5.7541 5.7541 6.0172 6.0172 9.3451 9.3451 9.4954 9.4954 9.6047 9.6047 11.5245 11.5245 11.7408 11.7408 19.2495 19.2495 21.7775 21.7775 k = 0.7425-0.1808-0.5793 ( 2510 PWs) bands (ev): -82.1195 -82.1195 -47.8165 -47.8165 -46.1420 -46.1420 -46.0094 -46.0094 -9.3607 -9.3607 -8.8422 -8.8422 2.0283 2.0283 3.8314 3.8314 4.7055 4.7055 4.7153 4.7153 5.7375 5.7375 6.0187 6.0187 9.3661 9.3661 9.4899 9.4899 9.6024 9.6024 11.5192 11.5192 11.7428 11.7428 19.1940 19.1940 21.7975 21.7975 k = 0.7380-0.1744-0.5668 ( 2510 PWs) bands (ev): -82.1197 -82.1197 -47.8161 -47.8161 -46.1412 -46.1412 -46.0093 -46.0093 -9.3609 -9.3609 -8.8692 -8.8692 2.0248 2.0248 3.8470 3.8470 4.7254 4.7254 4.7556 4.7556 5.7211 5.7211 6.0209 6.0209 9.3840 9.3840 9.4870 9.4870 9.6019 9.6019 11.5122 11.5122 11.7446 11.7446 19.1410 19.1410 21.8143 21.8143 k = 0.7335-0.1681-0.5542 ( 2510 PWs) bands (ev): -82.1198 -82.1198 -47.8156 -47.8156 -46.1404 -46.1404 -46.0092 -46.0092 -9.3614 -9.3614 -8.8971 -8.8971 2.0220 2.0220 3.8650 3.8650 4.7419 4.7419 4.7973 4.7973 5.7052 5.7052 6.0239 6.0239 9.3966 9.3966 9.4893 9.4893 9.6030 9.6030 11.5039 11.5039 11.7471 11.7471 19.0903 19.0903 21.8276 21.8276 k = 0.7290-0.1618-0.5417 ( 2514 PWs) bands (ev): -82.1201 -82.1201 -47.8151 -47.8151 -46.1395 -46.1395 -46.0091 -46.0091 -9.3621 -9.3621 -8.9258 -8.9258 2.0198 2.0198 3.8852 3.8852 4.7553 4.7553 4.8397 4.8397 5.6900 5.6900 6.0278 6.0278 9.4020 9.4020 9.4970 9.4970 9.6056 9.6056 11.4944 11.4944 11.7497 11.7497 19.0417 19.0417 21.8374 21.8374 k = 0.7245-0.1555-0.5291 ( 2514 PWs) bands (ev): -82.1203 -82.1203 -47.8146 -47.8146 -46.1386 -46.1386 -46.0089 -46.0089 -9.3630 -9.3630 -8.9554 -8.9554 2.0185 2.0185 3.9075 3.9075 4.7660 4.7660 4.8826 4.8826 5.6756 5.6756 6.0325 6.0325 9.4014 9.4014 9.5107 9.5107 9.6116 9.6116 11.4837 11.4837 11.7529 11.7529 18.9953 18.9953 21.8433 21.8433 k = 0.7200-0.1492-0.5166 ( 2508 PWs) bands (ev): -82.1202 -82.1202 -47.8140 -47.8140 -46.1376 -46.1376 -46.0087 -46.0087 -9.3640 -9.3640 -8.9858 -8.9858 2.0182 2.0182 3.9316 3.9316 4.7739 4.7739 4.9257 4.9257 5.6624 5.6624 6.0383 6.0383 9.3971 9.3971 9.5256 9.5256 9.6222 9.6222 11.4740 11.4740 11.7569 11.7569 18.9508 18.9508 21.8455 21.8455 k = 0.7155-0.1429-0.5040 ( 2506 PWs) bands (ev): -82.1202 -82.1202 -47.8134 -47.8134 -46.1366 -46.1366 -46.0086 -46.0086 -9.3654 -9.3654 -9.0168 -9.0168 2.0187 2.0187 3.9573 3.9573 4.7789 4.7789 4.9687 4.9687 5.6505 5.6505 6.0448 6.0448 9.3908 9.3908 9.5385 9.5385 9.6381 9.6381 11.4618 11.4618 11.7609 11.7609 18.9082 18.9082 21.8436 21.8436 k = 0.7110-0.1366-0.4915 ( 2512 PWs) bands (ev): -82.1207 -82.1207 -47.8129 -47.8129 -46.1356 -46.1356 -46.0086 -46.0086 -9.3669 -9.3669 -9.0485 -9.0485 2.0204 2.0204 3.9843 3.9843 4.7807 4.7807 5.0113 5.0113 5.6403 5.6403 6.0525 6.0525 9.3834 9.3834 9.5469 9.5469 9.6572 9.6572 11.4490 11.4490 11.7645 11.7645 18.8673 18.8673 21.8376 21.8376 k = 0.7066-0.1303-0.4789 ( 2510 PWs) bands (ev): -82.1208 -82.1208 -47.8122 -47.8122 -46.1345 -46.1345 -46.0084 -46.0084 -9.3686 -9.3686 -9.0809 -9.0809 2.0231 2.0231 4.0124 4.0124 4.7800 4.7800 5.0534 5.0534 5.6319 5.6319 6.0613 6.0613 9.3763 9.3763 9.5531 9.5531 9.6820 9.6820 11.4359 11.4359 11.7694 11.7694 18.8278 18.8278 21.8275 21.8275 k = 0.7021-0.1240-0.4664 ( 2512 PWs) bands (ev): -82.1210 -82.1210 -47.8116 -47.8116 -46.1334 -46.1334 -46.0083 -46.0083 -9.3705 -9.3705 -9.1137 -9.1137 2.0269 2.0269 4.0413 4.0413 4.7764 4.7764 5.0944 5.0944 5.6257 5.6257 6.0716 6.0716 9.3691 9.3691 9.5568 9.5568 9.7080 9.7080 11.4229 11.4229 11.7746 11.7746 18.7898 18.7898 21.8131 21.8131 k = 0.6976-0.1177-0.4538 ( 2516 PWs) bands (ev): -82.1214 -82.1214 -47.8111 -47.8111 -46.1323 -46.1323 -46.0082 -46.0082 -9.3726 -9.3726 -9.1470 -9.1470 2.0319 2.0319 4.0707 4.0707 4.7702 4.7702 5.1340 5.1340 5.6219 5.6219 6.0833 6.0833 9.3623 9.3623 9.5583 9.5583 9.7365 9.7365 11.4085 11.4085 11.7804 11.7804 18.7529 18.7529 21.7944 21.7944 k = 0.6931-0.1114-0.4412 ( 2518 PWs) bands (ev): -82.1217 -82.1217 -47.8104 -47.8104 -46.1312 -46.1312 -46.0081 -46.0081 -9.3749 -9.3749 -9.1808 -9.1808 2.0382 2.0382 4.1000 4.1000 4.7617 4.7617 5.1718 5.1718 5.6209 5.6209 6.0970 6.0970 9.3559 9.3559 9.5589 9.5589 9.7666 9.7666 11.3951 11.3951 11.7858 11.7858 18.7170 18.7170 21.7714 21.7714 k = 0.6886-0.1051-0.4287 ( 2518 PWs) bands (ev): -82.1219 -82.1219 -47.8098 -47.8098 -46.1300 -46.1300 -46.0080 -46.0080 -9.3774 -9.3774 -9.2148 -9.2148 2.0458 2.0458 4.1291 4.1291 4.7508 4.7508 5.2074 5.2074 5.6231 5.6231 6.1128 6.1128 9.3491 9.3491 9.5593 9.5593 9.7967 9.7967 11.3828 11.3828 11.7928 11.7928 18.6821 18.6821 21.7443 21.7443 k = 0.6841-0.0988-0.4161 ( 2522 PWs) bands (ev): -82.1223 -82.1223 -47.8092 -47.8092 -46.1288 -46.1288 -46.0079 -46.0079 -9.3801 -9.3801 -9.2492 -9.2492 2.0548 2.0548 4.1574 4.1574 4.7378 4.7378 5.2402 5.2402 5.6285 5.6285 6.1310 6.1310 9.3424 9.3424 9.5588 9.5588 9.8268 9.8268 11.3702 11.3702 11.7996 11.7996 18.6478 18.6478 21.7131 21.7131 k = 0.6796-0.0925-0.4036 ( 2520 PWs) bands (ev): -82.1224 -82.1224 -47.8084 -47.8084 -46.1276 -46.1276 -46.0077 -46.0077 -9.3829 -9.3829 -9.2837 -9.2837 2.0652 2.0652 4.1845 4.1845 4.7231 4.7231 5.2698 5.2698 5.6377 5.6377 6.1518 6.1518 9.3370 9.3370 9.5577 9.5577 9.8566 9.8566 11.3597 11.3597 11.8082 11.8082 18.6141 18.6141 21.6780 21.6780 k = 0.6751-0.0862-0.3910 ( 2520 PWs) bands (ev): -82.1226 -82.1226 -47.8077 -47.8077 -46.1263 -46.1263 -46.0076 -46.0076 -9.3860 -9.3860 -9.3184 -9.3184 2.0770 2.0770 4.2100 4.2100 4.7067 4.7067 5.2958 5.2958 5.6509 5.6509 6.1755 6.1755 9.3318 9.3318 9.5562 9.5562 9.8861 9.8861 11.3492 11.3492 11.8169 11.8169 18.5807 18.5807 21.6390 21.6390 k = 0.6706-0.0798-0.3785 ( 2518 PWs) bands (ev): -82.1227 -82.1227 -47.8070 -47.8070 -46.1250 -46.1250 -46.0075 -46.0075 -9.3893 -9.3893 -9.3530 -9.3530 2.0904 2.0904 4.2334 4.2334 4.6889 4.6889 5.3176 5.3176 5.6682 5.6682 6.2024 6.2024 9.3268 9.3268 9.5540 9.5540 9.9152 9.9152 11.3406 11.3406 11.8264 11.8264 18.5476 18.5476 21.5964 21.5964 k = 0.6661-0.0735-0.3659 ( 2518 PWs) bands (ev): -82.1229 -82.1229 -47.8063 -47.8063 -46.1237 -46.1237 -46.0073 -46.0073 -9.3945 -9.3945 -9.3859 -9.3859 2.1051 2.1051 4.2544 4.2544 4.6700 4.6700 5.3351 5.3351 5.6900 5.6900 6.2325 6.2325 9.3221 9.3221 9.5507 9.5507 9.9438 9.9438 11.3330 11.3330 11.8360 11.8360 18.5144 18.5144 21.5503 21.5503 k = 0.6617-0.0672-0.3534 ( 2518 PWs) bands (ev): -82.1231 -82.1231 -47.8056 -47.8056 -46.1224 -46.1224 -46.0072 -46.0072 -9.4235 -9.4235 -9.3950 -9.3950 2.1215 2.1215 4.2726 4.2726 4.6502 4.6502 5.3481 5.3481 5.7164 5.7164 6.2660 6.2660 9.3174 9.3174 9.5468 9.5468 9.9708 9.9708 11.3273 11.3273 11.8466 11.8466 18.4811 18.4811 21.5011 21.5011 k = 0.6572-0.0609-0.3408 ( 2516 PWs) bands (ev): -82.1233 -82.1233 -47.8048 -47.8048 -46.1210 -46.1210 -46.0071 -46.0071 -9.4578 -9.4578 -9.3988 -9.3988 2.1393 2.1393 4.2877 4.2877 4.6299 4.6299 5.3565 5.3565 5.7476 5.7476 6.3027 6.3027 9.3127 9.3127 9.5422 9.5422 9.9967 9.9967 11.3238 11.3238 11.8586 11.8586 18.4476 18.4476 21.4491 21.4491 k = 0.6527-0.0546-0.3283 ( 2516 PWs) bands (ev): -82.1235 -82.1235 -47.8041 -47.8041 -46.1197 -46.1197 -46.0070 -46.0070 -9.4922 -9.4922 -9.4025 -9.4025 2.1587 2.1587 4.2993 4.2993 4.6092 4.6092 5.3602 5.3602 5.7835 5.7835 6.3426 6.3426 9.3080 9.3080 9.5363 9.5363 10.0215 10.0215 11.3226 11.3226 11.8703 11.8703 18.4137 18.4137 21.3945 21.3945 k = 0.6482-0.0483-0.3157 ( 2516 PWs) bands (ev): -82.1237 -82.1237 -47.8034 -47.8034 -46.1184 -46.1184 -46.0068 -46.0068 -9.5264 -9.5264 -9.4063 -9.4063 2.1797 2.1797 4.3075 4.3075 4.5886 4.5886 5.3593 5.3593 5.8240 5.8240 6.3853 6.3853 9.3031 9.3031 9.5287 9.5287 10.0455 10.0455 11.3240 11.3240 11.8827 11.8827 18.3791 18.3791 21.3375 21.3375 k = 0.6437-0.0420-0.3032 ( 2516 PWs) bands (ev): -82.1238 -82.1238 -47.8026 -47.8026 -46.1171 -46.1171 -46.0067 -46.0067 -9.5602 -9.5602 -9.4101 -9.4101 2.2022 2.2022 4.3120 4.3120 4.5682 4.5682 5.3540 5.3540 5.8690 5.8690 6.4308 6.4308 9.2989 9.2989 9.5203 9.5203 10.0669 10.0669 11.3281 11.3281 11.8953 11.8953 18.3439 18.3439 21.2784 21.2784 k = 0.6392-0.0357-0.2906 ( 2514 PWs) bands (ev): -82.1240 -82.1240 -47.8019 -47.8019 -46.1157 -46.1157 -46.0065 -46.0065 -9.5937 -9.5937 -9.4140 -9.4140 2.2264 2.2264 4.3128 4.3128 4.5484 4.5484 5.3446 5.3446 5.9186 5.9186 6.4787 6.4787 9.2938 9.2938 9.5110 9.5110 10.0875 10.0875 11.3351 11.3351 11.9088 11.9088 18.3079 18.3079 21.2031 21.2031 k = 0.6347-0.0294-0.2780 ( 2514 PWs) bands (ev): -82.1241 -82.1241 -47.8012 -47.8012 -46.1144 -46.1144 -46.0064 -46.0064 -9.6268 -9.6268 -9.4179 -9.4179 2.2520 2.2520 4.3098 4.3098 4.5295 4.5295 5.3312 5.3312 5.9723 5.9723 6.5286 6.5286 9.2882 9.2882 9.4997 9.4997 10.1066 10.1066 11.3451 11.3451 11.9226 11.9226 18.2710 18.2710 21.1083 21.1083 k = 0.6302-0.0231-0.2655 ( 2514 PWs) bands (ev): -82.1243 -82.1243 -47.8004 -47.8004 -46.1131 -46.1131 -46.0063 -46.0063 -9.6594 -9.6594 -9.4219 -9.4219 2.2793 2.2793 4.3033 4.3033 4.5114 4.5114 5.3140 5.3140 6.0300 6.0300 6.5802 6.5802 9.2822 9.2822 9.4869 9.4869 10.1241 10.1241 11.3582 11.3582 11.9369 11.9369 18.2331 18.2331 21.0140 21.0140 k = 0.6257-0.0168-0.2529 ( 2520 PWs) bands (ev): -82.1248 -82.1248 -47.7998 -47.7998 -46.1118 -46.1118 -46.0062 -46.0062 -9.6915 -9.6915 -9.4259 -9.4259 2.3080 2.3080 4.2935 4.2935 4.4943 4.4943 5.2933 5.2933 6.0912 6.0912 6.6331 6.6331 9.2749 9.2749 9.4720 9.4720 10.1397 10.1397 11.3738 11.3738 11.9510 11.9510 18.1941 18.1941 20.9205 20.9205 k = 0.6212-0.0105-0.2404 ( 2520 PWs) bands (ev): -82.1250 -82.1250 -47.7991 -47.7991 -46.1105 -46.1105 -46.0061 -46.0061 -9.7229 -9.7229 -9.4300 -9.4300 2.3383 2.3383 4.2810 4.2810 4.4782 4.4782 5.2693 5.2693 6.1557 6.1557 6.6874 6.6874 9.2679 9.2679 9.4560 9.4560 10.1541 10.1541 11.3932 11.3932 11.9659 11.9659 18.1540 18.1540 20.8281 20.8281 k = 0.6167-0.0042-0.2278 ( 2520 PWs) bands (ev): -82.1251 -82.1251 -47.7984 -47.7984 -46.1092 -46.1092 -46.0060 -46.0060 -9.7537 -9.7537 -9.4340 -9.4340 2.3701 2.3701 4.2660 4.2660 4.4629 4.4629 5.2423 5.2423 6.2232 6.2232 6.7426 6.7426 9.2603 9.2603 9.4390 9.4390 10.1670 10.1670 11.4153 11.4153 11.9808 11.9808 18.1126 18.1126 20.7370 20.7370 k = 0.6123 0.0021-0.2153 ( 2518 PWs) bands (ev): -82.1252 -82.1252 -47.7977 -47.7977 -46.1079 -46.1079 -46.0059 -46.0059 -9.7838 -9.7838 -9.4380 -9.4380 2.4034 2.4034 4.2491 4.2491 4.4482 4.4482 5.2124 5.2124 6.2933 6.2933 6.7985 6.7985 9.2525 9.2525 9.4203 9.4203 10.1779 10.1779 11.4413 11.4413 11.9960 11.9960 18.0702 18.0702 20.6473 20.6473 k = 0.6078 0.0085-0.2027 ( 2518 PWs) bands (ev): -82.1254 -82.1254 -47.7970 -47.7970 -46.1067 -46.1067 -46.0057 -46.0057 -9.8131 -9.8131 -9.4420 -9.4420 2.4381 2.4381 4.2308 4.2308 4.4342 4.4342 5.1798 5.1798 6.3657 6.3657 6.8550 6.8550 9.2434 9.2434 9.3997 9.3997 10.1875 10.1875 11.4697 11.4697 12.0112 12.0112 18.0265 18.0265 20.5592 20.5592 k = 0.6033 0.0148-0.1902 ( 2518 PWs) bands (ev): -82.1256 -82.1256 -47.7963 -47.7963 -46.1055 -46.1055 -46.0056 -46.0056 -9.8416 -9.8416 -9.4460 -9.4460 2.4742 2.4742 4.2115 4.2115 4.4206 4.4206 5.1447 5.1447 6.4400 6.4400 6.9118 6.9118 9.2334 9.2334 9.3779 9.3779 10.1957 10.1957 11.5006 11.5006 12.0265 12.0265 17.9817 17.9817 20.4728 20.4728 k = 0.5988 0.0211-0.1776 ( 2516 PWs) bands (ev): -82.1256 -82.1256 -47.7957 -47.7957 -46.1043 -46.1043 -46.0055 -46.0055 -9.8692 -9.8692 -9.4499 -9.4499 2.5116 2.5116 4.1915 4.1915 4.4074 4.4074 5.1073 5.1073 6.5159 6.5159 6.9686 6.9686 9.2228 9.2228 9.3550 9.3550 10.2027 10.2027 11.5342 11.5342 12.0417 12.0417 17.9357 17.9357 20.3884 20.3884 k = 0.5943 0.0274-0.1651 ( 2514 PWs) bands (ev): -82.1257 -82.1257 -47.7950 -47.7950 -46.1031 -46.1031 -46.0054 -46.0054 -9.8960 -9.8960 -9.4537 -9.4537 2.5503 2.5503 4.1712 4.1712 4.3944 4.3944 5.0678 5.0678 6.5931 6.5931 7.0255 7.0255 9.2114 9.2114 9.3309 9.3309 10.2079 10.2079 11.5701 11.5701 12.0568 12.0568 17.8888 17.8888 20.3061 20.3061 k = 0.5898 0.0337-0.1525 ( 2518 PWs) bands (ev): -82.1260 -82.1260 -47.7945 -47.7945 -46.1020 -46.1020 -46.0053 -46.0053 -9.9218 -9.9218 -9.4575 -9.4575 2.5902 2.5902 4.1508 4.1508 4.3815 4.3815 5.0263 5.0263 6.6712 6.6712 7.0819 7.0819 9.1986 9.1986 9.3046 9.3046 10.2116 10.2116 11.6073 11.6073 12.0713 12.0713 17.8410 17.8410 20.2260 20.2260 k = 0.5853 0.0400-0.1400 ( 2516 PWs) bands (ev): -82.1261 -82.1261 -47.7938 -47.7938 -46.1009 -46.1009 -46.0052 -46.0052 -9.9466 -9.9466 -9.4612 -9.4612 2.6313 2.6313 4.1305 4.1305 4.3691 4.3691 4.9833 4.9833 6.7501 6.7501 7.1380 7.1380 9.1851 9.1851 9.2782 9.2782 10.2139 10.2139 11.6477 11.6477 12.0860 12.0860 17.7925 17.7925 20.1484 20.1484 k = 0.5808 0.0463-0.1274 ( 2508 PWs) bands (ev): -82.1258 -82.1258 -47.7932 -47.7932 -46.0998 -46.0998 -46.0050 -46.0050 -9.9703 -9.9703 -9.4647 -9.4647 2.6735 2.6735 4.1106 4.1106 4.3570 4.3570 4.9387 4.9387 6.8294 6.8294 7.1938 7.1938 9.1712 9.1712 9.2514 9.2514 10.2156 10.2156 11.6897 11.6897 12.1009 12.1009 17.7435 17.7435 20.0736 20.0736 k = 0.5763 0.0526-0.1149 ( 2510 PWs) bands (ev): -82.1261 -82.1261 -47.7926 -47.7926 -46.0988 -46.0988 -46.0049 -46.0049 -9.9930 -9.9930 -9.4682 -9.4682 2.7165 2.7165 4.0912 4.0912 4.3452 4.3452 4.8926 4.8926 6.9086 6.9086 7.2485 7.2485 9.1551 9.1551 9.2225 9.2225 10.2159 10.2159 11.7316 11.7316 12.1145 12.1145 17.6940 17.6940 20.0015 20.0015 k = 0.5718 0.0589-0.1023 ( 2512 PWs) bands (ev): -82.1263 -82.1263 -47.7922 -47.7922 -46.0979 -46.0979 -46.0048 -46.0048 -10.0146 -10.0146 -9.4715 -9.4715 2.7604 2.7604 4.0724 4.0724 4.3335 4.3335 4.8454 4.8454 6.9875 6.9875 7.3025 7.3025 9.1379 9.1379 9.1933 9.1933 10.2153 10.2153 11.7740 11.7740 12.1273 12.1273 17.6446 17.6446 19.9324 19.9324 k = 0.5674 0.0652-0.0897 ( 2514 PWs) bands (ev): -82.1265 -82.1265 -47.7917 -47.7917 -46.0970 -46.0970 -46.0047 -46.0047 -10.0351 -10.0351 -9.4747 -9.4747 2.8050 2.8050 4.0543 4.0543 4.3224 4.3224 4.7972 4.7972 7.0659 7.0659 7.3553 7.3553 9.1196 9.1196 9.1636 9.1636 10.2142 10.2142 11.8164 11.8164 12.1399 12.1399 17.5953 17.5953 19.8665 19.8665 k = 0.5629 0.0715-0.0772 ( 2508 PWs) bands (ev): -82.1263 -82.1263 -47.7911 -47.7911 -46.0961 -46.0961 -46.0046 -46.0046 -10.0543 -10.0543 -9.4778 -9.4778 2.8502 2.8502 4.0370 4.0370 4.3120 4.3120 4.7484 4.7484 7.1434 7.1434 7.4073 7.4073 9.1004 9.1004 9.1344 9.1344 10.2126 10.2126 11.8600 11.8600 12.1528 12.1528 17.5467 17.5467 19.8040 19.8040 k = 0.5584 0.0778-0.0646 ( 2514 PWs) bands (ev): -82.1267 -82.1267 -47.7908 -47.7908 -46.0953 -46.0953 -46.0046 -46.0046 -10.0725 -10.0725 -9.4806 -9.4806 2.8957 2.8957 4.0206 4.0206 4.3017 4.3017 4.6990 4.6990 7.2194 7.2194 7.4576 7.4576 9.0788 9.0788 9.1043 9.1043 10.2097 10.2097 11.9020 11.9020 12.1633 12.1633 17.4989 17.4989 19.7448 19.7448 k = 0.5539 0.0841-0.0521 ( 2522 PWs) bands (ev): -82.1272 -82.1272 -47.7905 -47.7905 -46.0947 -46.0947 -46.0045 -46.0045 -10.0893 -10.0893 -9.4834 -9.4834 2.9414 2.9414 4.0051 4.0051 4.2918 4.2918 4.6494 4.6494 7.2937 7.2937 7.5064 7.5064 9.0563 9.0563 9.0741 9.0741 10.2060 10.2060 11.9423 11.9423 12.1731 12.1731 17.4523 17.4523 19.6894 19.6894 k = 0.5494 0.0904-0.0395 ( 2524 PWs) bands (ev): -82.1274 -82.1274 -47.7901 -47.7901 -46.0940 -46.0940 -46.0045 -46.0045 -10.1049 -10.1049 -9.4859 -9.4859 2.9870 2.9870 3.9908 3.9908 4.2828 4.2828 4.6001 4.6001 7.3660 7.3660 7.5535 7.5535 9.0332 9.0332 9.0449 9.0449 10.2024 10.2024 11.9823 11.9823 12.1830 12.1830 17.4075 17.4075 19.6379 19.6379 k = 0.5449 0.0967-0.0270 ( 2528 PWs) bands (ev): -82.1277 -82.1277 -47.7898 -47.7898 -46.0934 -46.0934 -46.0044 -46.0044 -10.1193 -10.1193 -9.4882 -9.4882 3.0322 3.0322 3.9774 3.9774 4.2744 4.2744 4.5511 4.5511 7.4358 7.4358 7.5985 7.5985 9.0087 9.0087 9.0165 9.0165 10.1983 10.1983 12.0198 12.0198 12.1922 12.1922 17.3646 17.3646 19.5902 19.5902 k = 0.5404 0.1031-0.0144 ( 2526 PWs) bands (ev): -82.1277 -82.1277 -47.7895 -47.7895 -46.0928 -46.0928 -46.0043 -46.0043 -10.1323 -10.1323 -9.4904 -9.4904 3.0767 3.0767 3.9654 3.9654 4.2667 4.2667 4.5032 4.5032 7.5025 7.5025 7.6414 7.6414 8.9835 8.9835 8.9904 8.9904 10.1948 10.1948 12.0559 12.0559 12.2009 12.2009 17.3243 17.3243 19.5469 19.5469 k = 0.5359 0.1094-0.0019 ( 2532 PWs) bands (ev): -82.1280 -82.1280 -47.7893 -47.7893 -46.0923 -46.0923 -46.0043 -46.0043 -10.1440 -10.1440 -9.4923 -9.4923 3.1200 3.1200 3.9544 3.9544 4.2596 4.2596 4.4567 4.4567 7.5655 7.5655 7.6816 7.6816 8.9567 8.9567 8.9648 8.9648 10.1906 10.1906 12.0887 12.0887 12.2088 12.2088 17.2869 17.2869 19.5075 19.5075 k = 0.5314 0.1157 0.0107 ( 2532 PWs) bands (ev): -82.1281 -82.1281 -47.7890 -47.7890 -46.0919 -46.0919 -46.0042 -46.0042 -10.1544 -10.1544 -9.4940 -9.4940 3.1615 3.1615 3.9446 3.9446 4.2533 4.2533 4.4124 4.4124 7.6241 7.6241 7.7190 7.7190 8.9313 8.9313 8.9410 8.9410 10.1869 10.1869 12.1190 12.1190 12.2162 12.2162 17.2527 17.2527 19.4726 19.4726 k = 0.5269 0.1220 0.0232 ( 2530 PWs) bands (ev): -82.1280 -82.1280 -47.7888 -47.7888 -46.0914 -46.0914 -46.0042 -46.0042 -10.1634 -10.1634 -9.4955 -9.4955 3.2005 3.2005 3.9361 3.9361 4.2478 4.2478 4.3709 4.3709 7.6775 7.6775 7.7532 7.7532 8.9078 8.9078 8.9186 8.9186 10.1837 10.1837 12.1456 12.1456 12.2233 12.2233 17.2222 17.2222 19.4421 19.4421 k = 0.5225 0.1283 0.0358 ( 2528 PWs) bands (ev): -82.1280 -82.1280 -47.7885 -47.7885 -46.0911 -46.0911 -46.0041 -46.0041 -10.1711 -10.1711 -9.4968 -9.4968 3.2363 3.2363 3.9288 3.9288 4.2431 4.2431 4.3332 4.3332 7.7244 7.7244 7.7841 7.7841 8.8865 8.8865 8.8972 8.8972 10.1809 10.1809 12.1684 12.1684 12.2307 12.2307 17.1957 17.1957 19.4162 19.4162 k = 0.5180 0.1346 0.0483 ( 2524 PWs) bands (ev): -82.1278 -82.1278 -47.7883 -47.7883 -46.0908 -46.0908 -46.0040 -46.0040 -10.1773 -10.1773 -9.4979 -9.4979 3.2678 3.2678 3.9230 3.9230 4.2389 4.2389 4.3002 4.3002 7.7637 7.7637 7.8114 7.8114 8.8681 8.8681 8.8786 8.8786 10.1791 10.1791 12.1862 12.1862 12.2377 12.2377 17.1736 17.1736 19.3950 19.3950 k = 0.5135 0.1409 0.0609 ( 2526 PWs) bands (ev): -82.1279 -82.1279 -47.7882 -47.7882 -46.0905 -46.0905 -46.0041 -46.0041 -10.1822 -10.1822 -9.4987 -9.4987 3.2940 3.2940 3.9183 3.9183 4.2353 4.2353 4.2731 4.2731 7.7943 7.7943 7.8347 7.8347 8.8526 8.8526 8.8631 8.8631 10.1766 10.1766 12.1982 12.1982 12.2438 12.2438 17.1560 17.1560 19.3781 19.3781 k = 0.5090 0.1472 0.0735 ( 2528 PWs) bands (ev): -82.1281 -82.1281 -47.7882 -47.7882 -46.0904 -46.0904 -46.0041 -46.0041 -10.1857 -10.1857 -9.4993 -9.4993 3.3138 3.3138 3.9149 3.9149 4.2315 4.2315 4.2538 4.2538 7.8156 7.8156 7.8531 7.8531 8.8403 8.8403 8.8513 8.8513 10.1750 10.1750 12.2060 12.2060 12.2493 12.2493 17.1433 17.1433 19.3662 19.3662 k = 0.5045 0.1535 0.0860 ( 2528 PWs) bands (ev): -82.1281 -82.1281 -47.7881 -47.7881 -46.0903 -46.0903 -46.0041 -46.0041 -10.1878 -10.1878 -9.4997 -9.4997 3.3261 3.3261 3.9129 3.9129 4.2273 4.2273 4.2438 4.2438 7.8280 7.8280 7.8651 7.8651 8.8327 8.8327 8.8442 8.8442 10.1742 10.1742 12.2104 12.2104 12.2533 12.2533 17.1357 17.1357 19.3590 19.3590 k = 0.5000 0.1598 0.0986 ( 2532 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.1885 -10.1885 -9.4998 -9.4998 3.3303 3.3303 3.9122 3.9122 4.2250 4.2250 4.2410 4.2410 7.8321 7.8321 7.8693 7.8693 8.8300 8.8300 8.8417 8.8417 10.1733 10.1733 12.2110 12.2110 12.2539 12.2539 17.1331 17.1331 19.3566 19.3566 k = 0.5000 0.1598 0.0986 ( 2532 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.1885 -10.1885 -9.4998 -9.4998 3.3303 3.3303 3.9122 3.9122 4.2250 4.2250 4.2410 4.2410 7.8321 7.8321 7.8693 7.8693 8.8300 8.8300 8.8417 8.8417 10.1733 10.1733 12.2110 12.2110 12.2539 12.2539 17.1331 17.1331 19.3566 19.3566 k = 0.4861 0.1554 0.0958 ( 2532 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.1923 -10.1923 -9.4953 -9.4953 3.2979 3.2979 3.9456 3.9456 4.2252 4.2252 4.2412 4.2412 7.8315 7.8315 7.8688 7.8688 8.8300 8.8300 8.8417 8.8417 10.1724 10.1724 12.2114 12.2114 12.2543 12.2543 17.1304 17.1304 19.3438 19.3438 k = 0.4722 0.1509 0.0931 ( 2532 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.2031 -10.2031 -9.4822 -9.4822 3.2164 3.2164 4.0295 4.0295 4.2258 4.2258 4.2418 4.2418 7.8299 7.8299 7.8671 7.8671 8.8300 8.8300 8.8417 8.8417 10.1699 10.1699 12.2127 12.2127 12.2556 12.2556 17.1222 17.1222 19.3099 19.3099 k = 0.4583 0.1465 0.0903 ( 2520 PWs) bands (ev): -82.1277 -82.1277 -47.7880 -47.7880 -46.0902 -46.0902 -46.0039 -46.0039 -10.2203 -10.2203 -9.4613 -9.4613 3.1097 3.1097 4.1411 4.1411 4.2270 4.2270 4.2431 4.2431 7.8272 7.8272 7.8644 7.8644 8.8306 8.8306 8.8423 8.8423 10.1664 10.1664 12.2169 12.2169 12.2597 12.2597 17.1084 17.1084 19.2638 19.2638 k = 0.4444 0.1421 0.0876 ( 2520 PWs) bands (ev): -82.1278 -82.1278 -47.7880 -47.7880 -46.0902 -46.0902 -46.0040 -46.0040 -10.2427 -10.2427 -9.4337 -9.4337 2.9913 2.9913 4.2284 4.2284 4.2444 4.2444 4.2660 4.2660 7.8235 7.8235 7.8606 7.8606 8.8304 8.8304 8.8422 8.8422 10.1602 10.1602 12.2197 12.2197 12.2625 12.2625 17.0886 17.0886 19.2137 19.2137 k = 0.4306 0.1376 0.0849 ( 2514 PWs) bands (ev): -82.1275 -82.1275 -47.7879 -47.7879 -46.0902 -46.0902 -46.0039 -46.0039 -10.2692 -10.2692 -9.4006 -9.4006 2.8677 2.8677 4.2302 4.2302 4.2462 4.2462 4.3980 4.3980 7.8187 7.8187 7.8558 7.8558 8.8313 8.8313 8.8431 8.8431 10.1525 10.1525 12.2235 12.2235 12.2663 12.2663 17.0626 17.0626 19.1651 19.1651 k = 0.4167 0.1332 0.0821 ( 2508 PWs) bands (ev): -82.1272 -82.1272 -47.7879 -47.7879 -46.0902 -46.0902 -46.0038 -46.0038 -10.2988 -10.2988 -9.3630 -9.3630 2.7419 2.7419 4.2322 4.2322 4.2483 4.2483 4.5342 4.5342 7.8129 7.8129 7.8500 7.8500 8.8315 8.8315 8.8434 8.8434 10.1445 10.1445 12.2277 12.2277 12.2705 12.2705 17.0302 17.0302 19.1216 19.1216 k = 0.4028 0.1287 0.0794 ( 2508 PWs) bands (ev): -82.1273 -82.1273 -47.7879 -47.7879 -46.0902 -46.0902 -46.0038 -46.0038 -10.3305 -10.3305 -9.3219 -9.3219 2.6155 2.6155 4.2346 4.2346 4.2507 4.2507 4.6726 4.6726 7.8063 7.8063 7.8433 7.8433 8.8313 8.8313 8.8432 8.8432 10.1331 10.1331 12.2325 12.2325 12.2753 12.2753 16.9910 16.9910 19.0852 19.0852 k = 0.3889 0.1243 0.0767 ( 2514 PWs) bands (ev): -82.1276 -82.1276 -47.7880 -47.7880 -46.0902 -46.0902 -46.0038 -46.0038 -10.3637 -10.3637 -9.2781 -9.2781 2.4896 2.4896 4.2371 4.2371 4.2533 4.2533 4.8125 4.8125 7.7987 7.7987 7.8356 7.8356 8.8302 8.8302 8.8422 8.8422 10.1196 10.1196 12.2375 12.2375 12.2803 12.2803 16.9451 16.9451 19.0575 19.0575 k = 0.3750 0.1199 0.0739 ( 2520 PWs) bands (ev): -82.1279 -82.1279 -47.7881 -47.7881 -46.0903 -46.0903 -46.0040 -46.0040 -10.3977 -10.3977 -9.2322 -9.2322 2.3647 2.3647 4.2401 4.2401 4.2564 4.2564 4.9528 4.9528 7.7903 7.7903 7.8272 7.8272 8.8297 8.8297 8.8419 8.8419 10.1028 10.1028 12.2436 12.2436 12.2864 12.2864 16.8926 16.8926 19.0391 19.0391 k = 0.3611 0.1154 0.0712 ( 2520 PWs) bands (ev): -82.1279 -82.1279 -47.7881 -47.7881 -46.0903 -46.0903 -46.0040 -46.0040 -10.4321 -10.4321 -9.1848 -9.1848 2.2414 2.2414 4.2434 4.2434 4.2597 4.2597 5.0937 5.0937 7.7811 7.7811 7.8179 7.8179 8.8294 8.8294 8.8417 8.8417 10.0862 10.0862 12.2503 12.2503 12.2931 12.2931 16.8339 16.8339 19.0307 19.0307 k = 0.3472 0.1110 0.0684 ( 2520 PWs) bands (ev): -82.1279 -82.1279 -47.7881 -47.7881 -46.0903 -46.0903 -46.0040 -46.0040 -10.4665 -10.4665 -9.1363 -9.1363 2.1201 2.1201 4.2470 4.2470 4.2633 4.2633 5.2345 5.2345 7.7713 7.7713 7.8080 7.8080 8.8291 8.8291 8.8415 8.8415 10.0680 10.0680 12.2574 12.2574 12.3003 12.3003 16.7696 16.7696 19.0320 19.0320 k = 0.3333 0.1065 0.0657 ( 2526 PWs) bands (ev): -82.1282 -82.1282 -47.7882 -47.7882 -46.0903 -46.0903 -46.0040 -46.0040 -10.5006 -10.5006 -9.0871 -9.0871 2.0010 2.0010 4.2507 4.2507 4.2671 4.2671 5.3750 5.3750 7.7609 7.7609 7.7975 7.7975 8.8279 8.8279 8.8404 8.8404 10.0483 10.0483 12.2644 12.2644 12.3072 12.3072 16.7002 16.7002 19.0426 19.0426 k = 0.3194 0.1021 0.0630 ( 2529 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.5342 -10.5342 -9.0375 -9.0375 1.8843 1.8843 4.2547 4.2547 4.2712 4.2712 5.5147 5.5147 7.7499 7.7499 7.7865 7.7865 8.8275 8.8275 8.8402 8.8402 10.0258 10.0258 12.2723 12.2723 12.3152 12.3152 16.6266 16.6266 19.0620 19.0620 k = 0.3056 0.0977 0.0602 ( 2529 PWs) bands (ev): -82.1284 -82.1284 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.5671 -10.5671 -8.9877 -8.9877 1.7705 1.7705 4.2589 4.2589 4.2754 4.2754 5.6536 5.6536 7.7385 7.7385 7.7750 7.7750 8.8272 8.8272 8.8401 8.8401 10.0028 10.0028 12.2806 12.2806 12.3235 12.3235 16.5496 16.5496 19.0898 19.0898 k = 0.2917 0.0932 0.0575 ( 2529 PWs) bands (ev): -82.1284 -82.1284 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.5992 -10.5992 -8.9382 -8.9382 1.6597 1.6597 4.2633 4.2633 4.2799 4.2799 5.7913 5.7913 7.7268 7.7268 7.7632 7.7632 8.8269 8.8269 8.8399 8.8399 9.9783 9.9783 12.2892 12.2892 12.3320 12.3320 16.4700 16.4700 19.1250 19.1250 k = 0.2778 0.0888 0.0548 ( 2529 PWs) bands (ev): -82.1284 -82.1284 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.6303 -10.6303 -8.8890 -8.8890 1.5521 1.5521 4.2678 4.2678 4.2845 4.2845 5.9276 5.9276 7.7147 7.7147 7.7511 7.7511 8.8266 8.8266 8.8397 8.8397 9.9523 9.9523 12.2979 12.2979 12.3407 12.3407 16.3887 16.3887 19.1670 19.1670 k = 0.2639 0.0843 0.0520 ( 2529 PWs) bands (ev): -82.1284 -82.1284 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.6603 -10.6603 -8.8405 -8.8405 1.4480 1.4480 4.2724 4.2724 4.2891 4.2891 6.0622 6.0622 7.7026 7.7026 7.7388 7.7388 8.8262 8.8262 8.8396 8.8396 9.9248 9.9248 12.3067 12.3067 12.3495 12.3495 16.3065 16.3065 19.2150 19.2150 k = 0.2500 0.0799 0.0493 ( 2526 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.6892 -10.6892 -8.7928 -8.7928 1.3476 1.3476 4.2771 4.2771 4.2939 4.2939 6.1949 6.1949 7.6903 7.6903 7.7265 7.7265 8.8261 8.8261 8.8396 8.8396 9.8961 9.8961 12.3160 12.3160 12.3588 12.3588 16.2242 16.2242 19.2681 19.2681 k = 0.2361 0.0755 0.0465 ( 2526 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.7168 -10.7168 -8.7462 -8.7462 1.2509 1.2509 4.2821 4.2821 4.2990 4.2990 6.3252 6.3252 7.6781 7.6781 7.7142 7.7142 8.8251 8.8251 8.8388 8.8388 9.8651 9.8651 12.3259 12.3259 12.3687 12.3687 16.1423 16.1423 19.3256 19.3256 k = 0.2222 0.0710 0.0438 ( 2532 PWs) bands (ev): -82.1286 -82.1286 -47.7882 -47.7882 -46.0903 -46.0903 -46.0042 -46.0042 -10.7431 -10.7431 -8.7009 -8.7009 1.1583 1.1583 4.2866 4.2866 4.3036 4.3036 6.4531 6.4531 7.6659 7.6659 7.7020 7.7020 8.8239 8.8239 8.8379 8.8379 9.8332 9.8332 12.3338 12.3338 12.3767 12.3767 16.0615 16.0615 19.3868 19.3868 k = 0.2083 0.0666 0.0411 ( 2531 PWs) bands (ev): -82.1285 -82.1285 -47.7882 -47.7882 -46.0903 -46.0903 -46.0042 -46.0042 -10.7680 -10.7680 -8.6570 -8.6570 1.0701 1.0701 4.2912 4.2912 4.3083 4.3083 6.5783 6.5783 7.6540 7.6540 7.6900 7.6900 8.8235 8.8235 8.8377 8.8377 9.8006 9.8006 12.3423 12.3423 12.3852 12.3852 15.9826 15.9826 19.4509 19.4509 k = 0.1944 0.0621 0.0383 ( 2531 PWs) bands (ev): -82.1286 -82.1286 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.7915 -10.7915 -8.6149 -8.6149 0.9864 0.9864 4.2958 4.2958 4.3130 4.3130 6.7002 6.7002 7.6424 7.6424 7.6782 7.6782 8.8230 8.8230 8.8374 8.8374 9.7659 9.7659 12.3512 12.3512 12.3941 12.3941 15.9061 15.9061 19.5171 19.5171 k = 0.1806 0.0577 0.0356 ( 2531 PWs) bands (ev): -82.1286 -82.1286 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.8135 -10.8135 -8.5746 -8.5746 0.9074 0.9074 4.3002 4.3002 4.3175 4.3175 6.8186 6.8186 7.6311 7.6311 7.6669 7.6669 8.8225 8.8225 8.8372 8.8372 9.7307 9.7307 12.3592 12.3592 12.4021 12.4021 15.8324 15.8324 19.5846 19.5846 k = 0.1667 0.0533 0.0329 ( 2531 PWs) bands (ev): -82.1286 -82.1286 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.8340 -10.8340 -8.5364 -8.5364 0.8333 0.8333 4.3045 4.3045 4.3218 4.3218 6.9330 6.9330 7.6204 7.6204 7.6560 7.6560 8.8221 8.8221 8.8371 8.8371 9.6948 9.6948 12.3668 12.3668 12.4097 12.4097 15.7620 15.7620 19.6525 19.6525 k = 0.1528 0.0488 0.0301 ( 2531 PWs) bands (ev): -82.1286 -82.1286 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.8530 -10.8530 -8.5005 -8.5005 0.7642 0.7642 4.3085 4.3085 4.3259 4.3259 7.0430 7.0430 7.6102 7.6102 7.6457 7.6457 8.8216 8.8216 8.8369 8.8369 9.6582 9.6582 12.3740 12.3740 12.4170 12.4170 15.6955 15.6955 19.7201 19.7201 k = 0.1389 0.0444 0.0274 ( 2537 PWs) bands (ev): -82.1288 -82.1288 -47.7883 -47.7883 -46.0903 -46.0903 -46.0042 -46.0042 -10.8704 -10.8704 -8.4670 -8.4670 0.7004 0.7004 4.3123 4.3123 4.3297 4.3297 7.1478 7.1478 7.6007 7.6007 7.6360 7.6360 8.8207 8.8207 8.8364 8.8364 9.6197 9.6197 12.3806 12.3806 12.4235 12.4235 15.6331 15.6331 19.7865 19.7865 k = 0.1250 0.0400 0.0246 ( 2537 PWs) bands (ev): -82.1288 -82.1288 -47.7883 -47.7883 -46.0903 -46.0903 -46.0042 -46.0042 -10.8863 -10.8863 -8.4361 -8.4361 0.6421 0.6421 4.3159 4.3159 4.3334 4.3334 7.2471 7.2471 7.5919 7.5919 7.6270 7.6270 8.8202 8.8202 8.8363 8.8363 9.5829 9.5829 12.3869 12.3869 12.4298 12.4298 15.5755 15.5755 19.8507 19.8507 k = 0.1111 0.0355 0.0219 ( 2537 PWs) bands (ev): -82.1288 -82.1288 -47.7883 -47.7883 -46.0903 -46.0903 -46.0042 -46.0042 -10.9005 -10.9005 -8.4079 -8.4079 0.5894 0.5894 4.3192 4.3192 4.3367 4.3367 7.3398 7.3398 7.5842 7.5842 7.6187 7.6187 8.8196 8.8196 8.8362 8.8362 9.5466 9.5466 12.3926 12.3926 12.4356 12.4356 15.5229 15.5229 19.9117 19.9117 k = 0.0972 0.0311 0.0192 ( 2537 PWs) bands (ev): -82.1288 -82.1288 -47.7883 -47.7883 -46.0903 -46.0903 -46.0042 -46.0042 -10.9131 -10.9131 -8.3827 -8.3827 0.5425 0.5425 4.3222 4.3222 4.3397 4.3397 7.4249 7.4249 7.5777 7.5777 7.6113 7.6113 8.8190 8.8190 8.8362 8.8362 9.5114 9.5114 12.3978 12.3978 12.4408 12.4408 15.4757 15.4757 19.9687 19.9687 k = 0.0833 0.0266 0.0164 ( 2543 PWs) bands (ev): -82.1291 -82.1291 -47.7884 -47.7884 -46.0904 -46.0904 -46.0042 -46.0042 -10.9241 -10.9241 -8.3606 -8.3606 0.5017 0.5017 4.3248 4.3248 4.3424 4.3424 7.4999 7.4999 7.5741 7.5741 7.6047 7.6047 8.8164 8.8164 8.8340 8.8340 9.4789 9.4789 12.4024 12.4024 12.4454 12.4454 15.4341 15.4341 20.0206 20.0206 k = 0.0694 0.0222 0.0137 ( 2546 PWs) bands (ev): -82.1292 -82.1292 -47.7884 -47.7884 -46.0904 -46.0904 -46.0043 -46.0043 -10.9333 -10.9333 -8.3416 -8.3416 0.4668 0.4668 4.3271 4.3271 4.3447 4.3447 7.5485 7.5485 7.5887 7.5887 7.5991 7.5991 8.8151 8.8151 8.8333 8.8333 9.4480 9.4480 12.4063 12.4063 12.4493 12.4493 15.3985 15.3985 20.0665 20.0665 k = 0.0556 0.0178 0.0110 ( 2564 PWs) bands (ev): -82.1301 -82.1301 -47.7886 -47.7886 -46.0906 -46.0906 -46.0045 -46.0045 -10.9410 -10.9410 -8.3260 -8.3260 0.4381 0.4381 4.3284 4.3284 4.3461 4.3461 7.5536 7.5536 7.5944 7.5944 7.6375 7.6375 8.8126 8.8126 8.8313 8.8313 9.4196 9.4196 12.4076 12.4076 12.4506 12.4506 15.3689 15.3689 20.1055 20.1055 k = 0.0417 0.0133 0.0082 ( 2564 PWs) bands (ev): -82.1301 -82.1301 -47.7886 -47.7886 -46.0906 -46.0906 -46.0045 -46.0045 -10.9469 -10.9469 -8.3137 -8.3137 0.4156 0.4156 4.3299 4.3299 4.3477 4.3477 7.5518 7.5518 7.5907 7.5907 7.6830 7.6830 8.8120 8.8120 8.8312 8.8312 9.3972 9.3972 12.4101 12.4101 12.4531 12.4531 15.3457 15.3457 20.1367 20.1367 k = 0.0278 0.0089 0.0055 ( 2564 PWs) bands (ev): -82.1301 -82.1301 -47.7886 -47.7886 -46.0906 -46.0906 -46.0045 -46.0045 -10.9511 -10.9511 -8.3049 -8.3049 0.3996 0.3996 4.3310 4.3310 4.3487 4.3487 7.5498 7.5498 7.5881 7.5881 7.7170 7.7170 8.8115 8.8115 8.8312 8.8312 9.3803 9.3803 12.4119 12.4119 12.4550 12.4550 15.3291 15.3291 20.1596 20.1596 k = 0.0139 0.0044 0.0027 ( 2576 PWs) bands (ev): -82.1306 -82.1306 -47.7888 -47.7888 -46.0907 -46.0907 -46.0045 -46.0045 -10.9537 -10.9537 -8.2995 -8.2995 0.3899 0.3899 4.3313 4.3313 4.3490 4.3490 7.5485 7.5485 7.5865 7.5865 7.7380 7.7380 8.8101 8.8101 8.8300 8.8300 9.3691 9.3691 12.4115 12.4115 12.4545 12.4545 15.3190 15.3190 20.1736 20.1736 k = 0.0000 0.0000 0.0000 ( 2573 PWs) bands (ev): -82.1305 -82.1305 -47.7888 -47.7888 -46.0907 -46.0907 -46.0045 -46.0045 -10.9546 -10.9546 -8.2978 -8.2978 0.3867 0.3867 4.3315 4.3315 4.3493 4.3493 7.5480 7.5480 7.5860 7.5860 7.7451 7.7451 8.8100 8.8100 8.8300 8.8300 9.3668 9.3668 12.4118 12.4118 12.4549 12.4549 15.3157 15.3157 20.1783 20.1783 k = 0.0000 0.0000 0.0000 ( 2573 PWs) bands (ev): -82.1305 -82.1305 -47.7888 -47.7888 -46.0907 -46.0907 -46.0045 -46.0045 -10.9546 -10.9546 -8.2978 -8.2978 0.3867 0.3867 4.3315 4.3315 4.3493 4.3493 7.5480 7.5480 7.5860 7.5860 7.7451 7.7451 8.8100 8.8100 8.8300 8.8300 9.3668 9.3668 12.4118 12.4118 12.4549 12.4549 15.3157 15.3157 20.1783 20.1783 k = 0.0045-0.0063-0.0125 ( 2565 PWs) bands (ev): -82.1301 -82.1301 -47.7887 -47.7887 -46.0907 -46.0907 -46.0044 -46.0044 -10.9539 -10.9539 -8.2978 -8.2978 0.3875 0.3875 4.3316 4.3316 4.3494 4.3494 7.5442 7.5442 7.5821 7.5821 7.7457 7.7457 8.8130 8.8130 8.8329 8.8329 9.3677 9.3677 12.4118 12.4118 12.4549 12.4549 15.3184 15.3184 20.1815 20.1815 k = 0.0090-0.0126-0.0251 ( 2561 PWs) bands (ev): -82.1299 -82.1299 -47.7887 -47.7887 -46.0907 -46.0907 -46.0044 -46.0044 -10.9519 -10.9519 -8.2979 -8.2979 0.3897 0.3897 4.3310 4.3310 4.3494 4.3494 7.5323 7.5323 7.5711 7.5711 7.7475 7.7475 8.8200 8.8200 8.8395 8.8395 9.3690 9.3690 12.4091 12.4091 12.4524 12.4524 15.3266 15.3266 20.1912 20.1912 k = 0.0134-0.0189-0.0376 ( 2551 PWs) bands (ev): -82.1294 -82.1294 -47.7886 -47.7886 -46.0907 -46.0907 -46.0044 -46.0044 -10.9485 -10.9485 -8.2982 -8.2982 0.3935 0.3935 4.3296 4.3296 4.3501 4.3501 7.5112 7.5112 7.5546 7.5546 7.7507 7.7507 8.8316 8.8316 8.8507 8.8507 9.3714 9.3714 12.4046 12.4046 12.4486 12.4486 15.3401 15.3401 20.2074 20.2074 k = 0.0179-0.0252-0.0501 ( 2549 PWs) bands (ev): -82.1293 -82.1293 -47.7887 -47.7887 -46.0909 -46.0909 -46.0044 -46.0044 -10.9438 -10.9438 -8.2985 -8.2985 0.3988 0.3988 4.3262 4.3262 4.3518 4.3518 7.4802 7.4802 7.5340 7.5340 7.7554 7.7554 8.8458 8.8458 8.8644 8.8644 9.3739 9.3739 12.3967 12.3967 12.4426 12.4426 15.3589 15.3589 20.2298 20.2298 k = 0.0224-0.0315-0.0626 ( 2547 PWs) bands (ev): -82.1292 -82.1292 -47.7889 -47.7889 -46.0912 -46.0912 -46.0044 -46.0044 -10.9378 -10.9378 -8.2989 -8.2989 0.4056 0.4056 4.3210 4.3210 4.3548 4.3548 7.4396 7.4396 7.5099 7.5099 7.7618 7.7618 8.8633 8.8633 8.8814 8.8814 9.3772 9.3772 12.3854 12.3854 12.4353 12.4353 15.3830 15.3830 20.2586 20.2586 k = 0.0269-0.0378-0.0752 ( 2543 PWs) bands (ev): -82.1290 -82.1290 -47.7890 -47.7890 -46.0915 -46.0915 -46.0045 -46.0045 -10.9305 -10.9305 -8.2994 -8.2994 0.4139 0.4139 4.3143 4.3143 4.3591 4.3591 7.3909 7.3909 7.4822 7.4822 7.7697 7.7697 8.8829 8.8829 8.9014 8.9014 9.3807 9.3807 12.3717 12.3717 12.4280 12.4280 15.4122 15.4122 20.2934 20.2934 k = 0.0314-0.0441-0.0877 ( 2541 PWs) bands (ev): -82.1288 -82.1288 -47.7892 -47.7892 -46.0919 -46.0919 -46.0045 -46.0045 -10.9219 -10.9219 -8.3000 -8.3000 0.4236 0.4236 4.3061 4.3061 4.3644 4.3644 7.3349 7.3349 7.4510 7.4510 7.7791 7.7791 8.9036 8.9036 8.9237 8.9237 9.3856 9.3856 12.3544 12.3544 12.4190 12.4190 15.4463 15.4463 20.3342 20.3342 k = 0.0359-0.0504-0.1002 ( 2541 PWs) bands (ev): -82.1287 -82.1287 -47.7894 -47.7894 -46.0924 -46.0924 -46.0045 -46.0045 -10.9120 -10.9120 -8.3007 -8.3007 0.4348 0.4348 4.2966 4.2966 4.3707 4.3707 7.2728 7.2728 7.4165 7.4165 7.7898 7.7898 8.9242 8.9242 8.9480 8.9480 9.3914 9.3914 12.3337 12.3337 12.4093 12.4093 15.4853 15.4853 20.3809 20.3809 k = 0.0403-0.0567-0.1128 ( 2539 PWs) bands (ev): -82.1286 -82.1286 -47.7897 -47.7897 -46.0929 -46.0929 -46.0046 -46.0046 -10.9008 -10.9008 -8.3014 -8.3014 0.4474 0.4474 4.2860 4.2860 4.3778 4.3778 7.2054 7.2054 7.3790 7.3790 7.8017 7.8017 8.9446 8.9446 8.9747 8.9747 9.3983 9.3983 12.3111 12.3111 12.3989 12.3989 15.5290 15.5290 20.4331 20.4331 k = 0.0448-0.0629-0.1253 ( 2539 PWs) bands (ev): -82.1285 -82.1285 -47.7900 -47.7900 -46.0935 -46.0935 -46.0046 -46.0046 -10.8884 -10.8884 -8.3023 -8.3023 0.4615 0.4615 4.2746 4.2746 4.3858 4.3858 7.1335 7.1335 7.3386 7.3386 7.8146 7.8146 8.9638 8.9638 9.0026 9.0026 9.4060 9.4060 12.2863 12.2863 12.3875 12.3875 15.5772 15.5772 20.4908 20.4908 k = 0.0493-0.0692-0.1378 ( 2537 PWs) bands (ev): -82.1283 -82.1283 -47.7904 -47.7904 -46.0941 -46.0941 -46.0047 -46.0047 -10.8747 -10.8747 -8.3033 -8.3033 0.4770 0.4770 4.2624 4.2624 4.3946 4.3946 7.0577 7.0577 7.2959 7.2959 7.8282 7.8282 8.9818 8.9818 9.0322 9.0322 9.4150 9.4150 12.2598 12.2598 12.3753 12.3753 15.6297 15.6297 20.5536 20.5536 k = 0.0538-0.0755-0.1504 ( 2535 PWs) bands (ev): -82.1281 -82.1281 -47.7907 -47.7907 -46.0947 -46.0947 -46.0048 -46.0048 -10.8598 -10.8598 -8.3044 -8.3044 0.4938 0.4938 4.2496 4.2496 4.4041 4.4041 6.9786 6.9786 7.2510 7.2510 7.8422 7.8422 8.9983 8.9983 9.0626 9.0626 9.4253 9.4253 12.2317 12.2317 12.3618 12.3618 15.6862 15.6862 20.6214 20.6214 k = 0.0583-0.0818-0.1629 ( 2537 PWs) bands (ev): -82.1281 -82.1281 -47.7912 -47.7912 -46.0955 -46.0955 -46.0049 -46.0049 -10.8437 -10.8437 -8.3055 -8.3055 0.5120 0.5120 4.2359 4.2359 4.4142 4.4142 6.8967 6.8967 7.2042 7.2042 7.8565 7.8565 9.0132 9.0132 9.0937 9.0937 9.4359 9.4359 12.2017 12.2017 12.3470 12.3470 15.7466 15.7466 20.6940 20.6940 k = 0.0627-0.0881-0.1754 ( 2531 PWs) bands (ev): -82.1277 -82.1277 -47.7915 -47.7915 -46.0963 -46.0963 -46.0049 -46.0049 -10.8264 -10.8264 -8.3068 -8.3068 0.5315 0.5315 4.2222 4.2222 4.4249 4.4249 6.8125 6.8125 7.1559 7.1559 7.8708 7.8708 9.0271 9.0271 9.1258 9.1258 9.4483 9.4483 12.1720 12.1720 12.3315 12.3315 15.8107 15.8107 20.7711 20.7711 k = 0.0672-0.0944-0.1879 ( 2535 PWs) bands (ev): -82.1278 -82.1278 -47.7920 -47.7920 -46.0972 -46.0972 -46.0050 -46.0050 -10.8080 -10.8080 -8.3082 -8.3082 0.5523 0.5523 4.2077 4.2077 4.4361 4.4361 6.7263 6.7263 7.1061 7.1061 7.8848 7.8848 9.0385 9.0385 9.1575 9.1575 9.4604 9.4604 12.1401 12.1401 12.3143 12.3143 15.8781 15.8781 20.8524 20.8524 k = 0.0717-0.1007-0.2005 ( 2535 PWs) bands (ev): -82.1277 -82.1277 -47.7925 -47.7925 -46.0981 -46.0981 -46.0051 -46.0051 -10.7885 -10.7885 -8.3096 -8.3096 0.5743 0.5743 4.1933 4.1933 4.4477 4.4477 6.6385 6.6385 7.0551 7.0551 7.8983 7.8983 9.0485 9.0485 9.1897 9.1897 9.4734 9.4734 12.1088 12.1088 12.2962 12.2962 15.9486 15.9486 20.9378 20.9378 k = 0.0762-0.1070-0.2130 ( 2533 PWs) bands (ev): -82.1274 -82.1274 -47.7930 -47.7930 -46.0990 -46.0990 -46.0052 -46.0052 -10.7679 -10.7679 -8.3112 -8.3112 0.5976 0.5976 4.1788 4.1788 4.4598 4.4598 6.5497 6.5497 7.0031 7.0031 7.9111 7.9111 9.0575 9.0575 9.2221 9.2221 9.4870 9.4870 12.0777 12.0777 12.2771 12.2771 16.0221 16.0221 21.0270 21.0270 k = 0.0807-0.1133-0.2255 ( 2535 PWs) bands (ev): -82.1274 -82.1274 -47.7936 -47.7936 -46.1000 -46.1000 -46.0053 -46.0053 -10.7462 -10.7462 -8.3129 -8.3129 0.6220 0.6220 4.1642 4.1642 4.4721 4.4721 6.4600 6.4600 6.9502 6.9502 7.9230 7.9230 9.0642 9.0642 9.2542 9.2542 9.5008 9.5008 12.0461 12.0461 12.2565 12.2565 16.0982 16.0982 21.1198 21.1198 k = 0.0852-0.1196-0.2381 ( 2533 PWs) bands (ev): -82.1271 -82.1271 -47.7941 -47.7941 -46.1010 -46.1010 -46.0054 -46.0054 -10.7235 -10.7235 -8.3147 -8.3147 0.6476 0.6476 4.1499 4.1499 4.4846 4.4846 6.3698 6.3698 6.8967 6.8967 7.9336 7.9336 9.0698 9.0698 9.2865 9.2865 9.5150 9.5150 12.0161 12.0161 12.2351 12.2351 16.1768 16.1768 21.2159 21.2159 k = 0.0896-0.1259-0.2506 ( 2531 PWs) bands (ev): -82.1269 -82.1269 -47.7947 -47.7947 -46.1021 -46.1021 -46.0055 -46.0055 -10.6999 -10.6999 -8.3166 -8.3166 0.6743 0.6743 4.1358 4.1358 4.4972 4.4972 6.2796 6.2796 6.8427 6.8427 7.9428 7.9428 9.0743 9.0743 9.3185 9.3185 9.5294 9.5294 11.9867 11.9867 12.2127 12.2127 16.2576 16.2576 21.3153 21.3153 k = 0.0941-0.1322-0.2631 ( 2533 PWs) bands (ev): -82.1268 -82.1268 -47.7953 -47.7953 -46.1032 -46.1032 -46.0056 -46.0056 -10.6753 -10.6753 -8.3186 -8.3186 0.7020 0.7020 4.1220 4.1220 4.5096 4.5096 6.1895 6.1895 6.7880 6.7880 7.9504 7.9504 9.0774 9.0774 9.3492 9.3492 9.5435 9.5435 11.9581 11.9581 12.1890 12.1890 16.3403 16.3403 21.4174 21.4174 k = 0.0986-0.1385-0.2756 ( 2531 PWs) bands (ev): -82.1265 -82.1265 -47.7959 -47.7959 -46.1043 -46.1043 -46.0057 -46.0057 -10.6498 -10.6498 -8.3207 -8.3207 0.7307 0.7307 4.1087 4.1087 4.5219 4.5219 6.0999 6.0999 6.7332 6.7332 7.9561 7.9561 9.0797 9.0797 9.3801 9.3801 9.5578 9.5578 11.9309 11.9309 12.1648 12.1648 16.4248 16.4248 21.5223 21.5223 k = 0.1031-0.1448-0.2882 ( 2531 PWs) bands (ev): -82.1263 -82.1263 -47.7965 -47.7965 -46.1055 -46.1055 -46.0058 -46.0058 -10.6235 -10.6235 -8.3229 -8.3229 0.7604 0.7604 4.0958 4.0958 4.5336 4.5336 6.0112 6.0112 6.6781 6.6781 7.9598 7.9598 9.0810 9.0810 9.4100 9.4100 9.5718 9.5718 11.9051 11.9051 12.1396 12.1396 16.5109 16.5109 21.6296 21.6296 k = 0.1076-0.1511-0.3007 ( 2527 PWs) bands (ev): -82.1260 -82.1260 -47.7971 -47.7971 -46.1067 -46.1067 -46.0059 -46.0059 -10.5963 -10.5963 -8.3252 -8.3252 0.7910 0.7910 4.0835 4.0835 4.5450 4.5450 5.9238 5.9238 6.6229 6.6229 7.9614 7.9614 9.0816 9.0816 9.4394 9.4394 9.5862 9.5862 11.8811 11.8811 12.1143 12.1143 16.5983 16.5983 21.7392 21.7392 k = 0.1120-0.1574-0.3132 ( 2523 PWs) bands (ev): -82.1256 -82.1256 -47.7977 -47.7977 -46.1079 -46.1079 -46.0060 -46.0060 -10.5684 -10.5684 -8.3277 -8.3277 0.8224 0.8224 4.0719 4.0719 4.5552 4.5552 5.8379 5.8379 6.5679 6.5679 7.9607 7.9607 9.0818 9.0818 9.4682 9.4682 9.6000 9.6000 11.8589 11.8589 12.0878 12.0878 16.6869 16.6869 21.8510 21.8510 k = 0.1165-0.1637-0.3258 ( 2523 PWs) bands (ev): -82.1254 -82.1254 -47.7984 -47.7984 -46.1091 -46.1091 -46.0061 -46.0061 -10.5397 -10.5397 -8.3302 -8.3302 0.8545 0.8545 4.0609 4.0609 4.5643 4.5643 5.7541 5.7541 6.5128 6.5128 7.9576 7.9576 9.0816 9.0816 9.4951 9.4951 9.6129 9.6129 11.8382 11.8382 12.0608 12.0608 16.7765 16.7765 21.9645 21.9645 k = 0.1210-0.1700-0.3383 ( 2523 PWs) bands (ev): -82.1252 -82.1252 -47.7991 -47.7991 -46.1104 -46.1104 -46.0062 -46.0062 -10.5104 -10.5104 -8.3329 -8.3329 0.8875 0.8875 4.0505 4.0505 4.5717 4.5717 5.6727 5.6727 6.4581 6.4581 7.9520 7.9520 9.0806 9.0806 9.5211 9.5211 9.6259 9.6259 11.8191 11.8191 12.0331 12.0331 16.8670 16.8670 22.0798 22.0798 k = 0.1255-0.1762-0.3508 ( 2521 PWs) bands (ev): -82.1249 -82.1249 -47.7998 -47.7998 -46.1117 -46.1117 -46.0063 -46.0063 -10.4804 -10.4804 -8.3356 -8.3356 0.9211 0.9211 4.0411 4.0411 4.5772 4.5772 5.5945 5.5945 6.4036 6.4036 7.9438 7.9438 9.0795 9.0795 9.5451 9.5451 9.6390 9.6390 11.8028 11.8028 12.0054 12.0054 16.9582 16.9582 22.1964 22.1964 k = 0.1300-0.1825-0.3633 ( 2521 PWs) bands (ev): -82.1247 -82.1247 -47.8005 -47.8005 -46.1130 -46.1130 -46.0064 -46.0064 -10.4499 -10.4499 -8.3385 -8.3385 0.9553 0.9553 4.0324 4.0324 4.5801 4.5801 5.5198 5.5198 6.3495 6.3495 7.9330 7.9330 9.0774 9.0774 9.5670 9.5670 9.6525 9.6525 11.7882 11.7882 11.9775 11.9775 17.0499 17.0499 22.3143 22.3143 k = 0.1344-0.1888-0.3759 ( 2519 PWs) bands (ev): -82.1244 -82.1244 -47.8011 -47.8011 -46.1142 -46.1142 -46.0065 -46.0065 -10.4189 -10.4189 -8.3415 -8.3415 0.9900 0.9900 4.0246 4.0246 4.5800 4.5800 5.4497 5.4497 6.2960 6.2960 7.9196 7.9196 9.0750 9.0750 9.5865 9.5865 9.6667 9.6667 11.7759 11.7759 11.9501 11.9501 17.1420 17.1420 22.4332 22.4332 k = 0.1389-0.1951-0.3884 ( 2523 PWs) bands (ev): -82.1244 -82.1244 -47.8019 -47.8019 -46.1156 -46.1156 -46.0067 -46.0067 -10.3875 -10.3875 -8.3446 -8.3446 1.0252 1.0252 4.0174 4.0174 4.5758 4.5758 5.3845 5.3845 6.2429 6.2429 7.9037 7.9037 9.0722 9.0722 9.6025 9.6025 9.6816 9.6816 11.7644 11.7644 11.9220 11.9220 17.2345 17.2345 22.5528 22.5528 k = 0.1434-0.2014-0.4009 ( 2523 PWs) bands (ev): -82.1241 -82.1241 -47.8026 -47.8026 -46.1170 -46.1170 -46.0068 -46.0068 -10.3556 -10.3556 -8.3478 -8.3478 1.0608 1.0608 4.0111 4.0111 4.5671 4.5671 5.3253 5.3253 6.1907 6.1907 7.8851 7.8851 9.0693 9.0693 9.6156 9.6156 9.6980 9.6980 11.7556 11.7556 11.8945 11.8945 17.3272 17.3272 22.6729 22.6729 k = 0.1479-0.2077-0.4135 ( 2521 PWs) bands (ev): -82.1238 -82.1238 -47.8033 -47.8033 -46.1182 -46.1182 -46.0069 -46.0069 -10.3234 -10.3234 -8.3511 -8.3511 1.0967 1.0967 4.0059 4.0059 4.5532 4.5532 5.2728 5.2728 6.1393 6.1393 7.8641 7.8641 9.0664 9.0664 9.6257 9.6257 9.7154 9.7154 11.7494 11.7494 11.8676 11.8676 17.4200 17.4200 22.7930 22.7930 k = 0.1524-0.2140-0.4260 ( 2523 PWs) bands (ev): -82.1237 -82.1237 -47.8041 -47.8041 -46.1196 -46.1196 -46.0070 -46.0070 -10.2909 -10.2909 -8.3544 -8.3544 1.1329 1.1329 4.0013 4.0013 4.5335 4.5335 5.2273 5.2273 6.0888 6.0888 7.8406 7.8406 9.0633 9.0633 9.6327 9.6327 9.7332 9.7332 11.7437 11.7437 11.8409 11.8409 17.5128 17.5128 22.9126 22.9126 k = 0.1569-0.2203-0.4385 ( 2523 PWs) bands (ev): -82.1235 -82.1235 -47.8048 -47.8048 -46.1209 -46.1209 -46.0071 -46.0071 -10.2582 -10.2582 -8.3579 -8.3579 1.1692 1.1692 3.9975 3.9975 4.5079 4.5079 5.1893 5.1893 6.0396 6.0396 7.8148 7.8148 9.0604 9.0604 9.6372 9.6372 9.7512 9.7512 11.7398 11.7398 11.8154 11.8154 17.6057 17.6057 23.0311 23.0311 k = 0.1613-0.2266-0.4511 ( 2515 PWs) bands (ev): -82.1229 -82.1229 -47.8054 -47.8054 -46.1222 -46.1222 -46.0071 -46.0071 -10.2253 -10.2253 -8.3615 -8.3615 1.2057 1.2057 3.9945 3.9945 4.4769 4.4769 5.1585 5.1585 5.9917 5.9917 7.7868 7.7868 9.0579 9.0579 9.6406 9.6406 9.7699 9.7699 11.7378 11.7378 11.7922 11.7922 17.6984 17.6984 23.0417 23.0417 k = 0.1658-0.2329-0.4636 ( 2508 PWs) bands (ev): -82.1224 -82.1224 -47.8060 -47.8060 -46.1234 -46.1234 -46.0072 -46.0072 -10.1923 -10.1923 -8.3652 -8.3652 1.2423 1.2423 3.9924 3.9924 4.4407 4.4407 5.1342 5.1342 5.9451 5.9451 7.7567 7.7567 9.0550 9.0550 9.6419 9.6419 9.7884 9.7884 11.7359 11.7359 11.7710 11.7710 17.7910 17.7910 22.9612 22.9612 k = 0.1703-0.2392-0.4761 ( 2508 PWs) bands (ev): -82.1222 -82.1222 -47.8068 -47.8068 -46.1247 -46.1247 -46.0073 -46.0073 -10.1593 -10.1593 -8.3690 -8.3690 1.2787 1.2787 3.9906 3.9906 4.4003 4.4003 5.1156 5.1156 5.8997 5.8997 7.7246 7.7246 9.0519 9.0519 9.6416 9.6416 9.8053 9.8053 11.7284 11.7284 11.7553 11.7553 17.8833 17.8833 22.8769 22.8769 k = 0.1748-0.2455-0.4886 ( 2512 PWs) bands (ev): -82.1222 -82.1222 -47.8075 -47.8075 -46.1260 -46.1260 -46.0075 -46.0075 -10.1264 -10.1264 -8.3729 -8.3729 1.3151 1.3151 3.9895 3.9895 4.3567 4.3567 5.1015 5.1015 5.8558 5.8558 7.6906 7.6906 9.0487 9.0487 9.6391 9.6391 9.8212 9.8212 11.7117 11.7117 11.7499 11.7499 17.9754 17.9754 22.7909 22.7909 k = 0.1793-0.2518-0.5012 ( 2514 PWs) bands (ev): -82.1220 -82.1220 -47.8082 -47.8082 -46.1273 -46.1273 -46.0077 -46.0077 -10.0935 -10.0935 -8.3768 -8.3768 1.3512 1.3512 3.9889 3.9889 4.3113 4.3113 5.0910 5.0910 5.8135 5.8135 7.6548 7.6548 9.0456 9.0456 9.6356 9.6356 9.8364 9.8364 11.6923 11.6923 11.7498 11.7498 18.0674 18.0674 22.7044 22.7044 k = 0.1837-0.2581-0.5137 ( 2512 PWs) bands (ev): -82.1218 -82.1218 -47.8089 -47.8089 -46.1285 -46.1285 -46.0078 -46.0078 -10.0608 -10.0608 -8.3809 -8.3809 1.3872 1.3872 3.9887 3.9887 4.2649 4.2649 5.0830 5.0830 5.7735 5.7735 7.6175 7.6175 9.0430 9.0430 9.6303 9.6303 9.8511 9.8511 11.6731 11.6731 11.7530 11.7530 18.1590 18.1590 22.6182 22.6182 k = 0.1882-0.2644-0.5262 ( 2510 PWs) bands (ev): -82.1215 -82.1215 -47.8096 -47.8096 -46.1297 -46.1297 -46.0079 -46.0079 -10.0283 -10.0283 -8.3850 -8.3850 1.4228 1.4228 3.9888 3.9888 4.2184 4.2184 5.0766 5.0766 5.7353 5.7353 7.5788 7.5788 9.0407 9.0407 9.6239 9.6239 9.8650 9.8650 11.6546 11.6546 11.7572 11.7572 18.2504 18.2504 22.5329 22.5329 k = 0.1927-0.2707-0.5388 ( 2514 PWs) bands (ev): -82.1215 -82.1215 -47.8103 -47.8103 -46.1310 -46.1310 -46.0080 -46.0080 -9.9961 -9.9961 -8.3892 -8.3892 1.4580 1.4580 3.9891 3.9891 4.1722 4.1722 5.0713 5.0713 5.6990 5.6990 7.5386 7.5386 9.0385 9.0385 9.6161 9.6161 9.8774 9.8774 11.6367 11.6367 11.7604 11.7604 18.3414 18.3414 22.4488 22.4488 k = 0.1972-0.2770-0.5513 ( 2516 PWs) bands (ev): -82.1214 -82.1214 -47.8110 -47.8110 -46.1322 -46.1322 -46.0082 -46.0082 -9.9643 -9.9643 -8.3934 -8.3934 1.4928 1.4928 3.9895 3.9895 4.1272 4.1272 5.0664 5.0664 5.6650 5.6650 7.4973 7.4973 9.0367 9.0367 9.6075 9.6075 9.8893 9.8893 11.6204 11.6204 11.7639 11.7639 18.4322 18.4322 22.3661 22.3661 k = 0.2017-0.2833-0.5638 ( 2514 PWs) bands (ev): -82.1211 -82.1211 -47.8116 -47.8116 -46.1333 -46.1333 -46.0083 -46.0083 -9.9328 -9.9328 -8.3978 -8.3978 1.5271 1.5271 3.9899 3.9899 4.0836 4.0836 5.0616 5.0616 5.6337 5.6337 7.4550 7.4550 9.0353 9.0353 9.5981 9.5981 9.9010 9.9010 11.6051 11.6051 11.7687 11.7687 18.5227 18.5227 22.2853 22.2853 k = 0.2062-0.2895-0.5763 ( 2516 PWs) bands (ev): -82.1210 -82.1210 -47.8122 -47.8122 -46.1344 -46.1344 -46.0084 -46.0084 -9.9018 -9.9018 -8.4022 -8.4022 1.5608 1.5608 3.9902 3.9902 4.0418 4.0418 5.0563 5.0563 5.6047 5.6047 7.4117 7.4117 9.0341 9.0341 9.5880 9.5880 9.9114 9.9114 11.5907 11.5907 11.7726 11.7726 18.6129 18.6129 22.2064 22.2064 k = 0.2106-0.2958-0.5889 ( 2518 PWs) bands (ev): -82.1210 -82.1210 -47.8129 -47.8129 -46.1355 -46.1355 -46.0086 -46.0086 -9.8714 -9.8714 -8.4066 -8.4066 1.5939 1.5939 3.9902 3.9902 4.0023 4.0023 5.0504 5.0504 5.5785 5.5785 7.3676 7.3676 9.0333 9.0333 9.5764 9.5764 9.9209 9.9209 11.5777 11.5777 11.7770 11.7770 18.7028 18.7028 22.1295 22.1295 k = 0.2151-0.3021-0.6014 ( 2518 PWs) bands (ev): -82.1208 -82.1208 -47.8134 -47.8134 -46.1366 -46.1366 -46.0087 -46.0087 -9.8415 -9.8415 -8.4111 -8.4111 1.6263 1.6263 3.9647 3.9647 3.9902 3.9902 5.0437 5.0437 5.5551 5.5551 7.3228 7.3228 9.0329 9.0329 9.5653 9.5653 9.9295 9.9295 11.5661 11.5661 11.7812 11.7812 18.7924 18.7924 22.0548 22.0548 k = 0.2196-0.3084-0.6139 ( 2518 PWs) bands (ev): -82.1206 -82.1206 -47.8140 -47.8140 -46.1376 -46.1376 -46.0088 -46.0088 -9.8124 -9.8124 -8.4156 -8.4156 1.6580 1.6580 3.9300 3.9300 3.9894 3.9894 5.0359 5.0359 5.5347 5.5347 7.2774 7.2774 9.0328 9.0328 9.5533 9.5533 9.9377 9.9377 11.5554 11.5554 11.7851 11.7851 18.8818 18.8818 21.9823 21.9823 k = 0.2241-0.3147-0.6265 ( 2514 PWs) bands (ev): -82.1203 -82.1203 -47.8145 -47.8145 -46.1385 -46.1385 -46.0089 -46.0089 -9.7839 -9.7839 -8.4202 -8.4202 1.6890 1.6890 3.8978 3.8978 3.9881 3.9881 5.0269 5.0269 5.5175 5.5175 7.2316 7.2316 9.0332 9.0332 9.5423 9.5423 9.9448 9.9448 11.5461 11.5461 11.7894 11.7894 18.9709 18.9709 21.9122 21.9122 k = 0.2286-0.3210-0.6390 ( 2516 PWs) bands (ev): -82.1202 -82.1202 -47.8151 -47.8151 -46.1394 -46.1394 -46.0091 -46.0091 -9.7561 -9.7561 -8.4249 -8.4249 1.7192 1.7192 3.8682 3.8682 3.9861 3.9861 5.0166 5.0166 5.5032 5.5032 7.1853 7.1853 9.0337 9.0337 9.5311 9.5311 9.9500 9.9500 11.5372 11.5372 11.7924 11.7924 19.0598 19.0598 21.8445 21.8445 k = 0.2330-0.3273-0.6515 ( 2518 PWs) bands (ev): -82.1202 -82.1202 -47.8156 -47.8156 -46.1403 -46.1403 -46.0092 -46.0092 -9.7292 -9.7292 -8.4295 -8.4295 1.7486 1.7486 3.8415 3.8415 3.9834 3.9834 5.0047 5.0047 5.4921 5.4921 7.1387 7.1387 9.0344 9.0344 9.5193 9.5193 9.9551 9.9551 11.5296 11.5296 11.7946 11.7946 19.1485 19.1485 21.7792 21.7792 k = 0.2375-0.3336-0.6641 ( 2518 PWs) bands (ev): -82.1200 -82.1200 -47.8161 -47.8161 -46.1412 -46.1412 -46.0093 -46.0093 -9.7031 -9.7031 -8.4342 -8.4342 1.7772 1.7772 3.8178 3.8178 3.9798 3.9798 4.9914 4.9914 5.4844 5.4844 7.0918 7.0918 9.0357 9.0357 9.5081 9.5081 9.9595 9.9595 11.5229 11.5229 11.7964 11.7964 19.2370 19.2370 21.7164 21.7164 k = 0.2420-0.3399-0.6766 ( 2520 PWs) bands (ev): -82.1200 -82.1200 -47.8166 -47.8166 -46.1420 -46.1420 -46.0095 -46.0095 -9.6779 -9.6779 -8.4390 -8.4390 1.8049 1.8049 3.7969 3.7969 3.9755 3.9755 4.9764 4.9764 5.4799 5.4799 7.0448 7.0448 9.0374 9.0374 9.4971 9.4971 9.9630 9.9630 11.5170 11.5170 11.7969 11.7969 19.3252 19.3252 21.6562 21.6562 k = 0.2465-0.3462-0.6891 ( 2520 PWs) bands (ev): -82.1199 -82.1199 -47.8170 -47.8170 -46.1427 -46.1427 -46.0096 -46.0096 -9.6537 -9.6537 -8.4437 -8.4437 1.8317 1.8317 3.7790 3.7790 3.9704 3.9704 4.9600 4.9600 5.4786 5.4786 6.9977 6.9977 9.0393 9.0393 9.4867 9.4867 9.9658 9.9658 11.5118 11.5118 11.7977 11.7977 19.4133 19.4133 21.5985 21.5985 k = 0.2510-0.3525-0.7016 ( 2518 PWs) bands (ev): -82.1197 -82.1197 -47.8174 -47.8174 -46.1434 -46.1434 -46.0097 -46.0097 -9.6305 -9.6305 -8.4484 -8.4484 1.8577 1.8577 3.7640 3.7640 3.9643 3.9643 4.9421 4.9421 5.4806 5.4806 6.9504 6.9504 9.0420 9.0420 9.4777 9.4777 9.9673 9.9673 11.5083 11.5083 11.7973 11.7973 19.5011 19.5011 21.5435 21.5435 k = 0.2555-0.3588-0.7142 ( 2518 PWs) bands (ev): -82.1195 -82.1195 -47.8178 -47.8178 -46.1441 -46.1441 -46.0098 -46.0098 -9.6082 -9.6082 -8.4532 -8.4532 1.8828 1.8828 3.7520 3.7520 3.9575 3.9575 4.9226 4.9226 5.4858 5.4858 6.9033 6.9033 9.0444 9.0444 9.4691 9.4691 9.9684 9.9684 11.5046 11.5046 11.7966 11.7966 19.5887 19.5887 21.4911 21.4911 k = 0.2599-0.3651-0.7267 ( 2514 PWs) bands (ev): -82.1192 -82.1192 -47.8181 -47.8181 -46.1447 -46.1447 -46.0099 -46.0099 -9.5870 -9.5870 -8.4580 -8.4580 1.9070 1.9070 3.7429 3.7429 3.9501 3.9501 4.9016 4.9016 5.4941 5.4941 6.8563 6.8563 9.0476 9.0476 9.4620 9.4620 9.9693 9.9693 11.5015 11.5015 11.7953 11.7953 19.6760 19.6760 21.4415 21.4415 k = 0.2644-0.3714-0.7392 ( 2514 PWs) bands (ev): -82.1191 -82.1191 -47.8185 -47.8185 -46.1453 -46.1453 -46.0100 -46.0100 -9.5668 -9.5668 -8.4627 -8.4627 1.9302 1.9302 3.7367 3.7367 3.9419 3.9419 4.8791 4.8791 5.5053 5.5053 6.8094 6.8094 9.0504 9.0504 9.4554 9.4554 9.9688 9.9688 11.4986 11.4986 11.7935 11.7935 19.7630 19.7630 21.3946 21.3946 k = 0.2689-0.3777-0.7518 ( 2510 PWs) bands (ev): -82.1189 -82.1189 -47.8187 -47.8187 -46.1458 -46.1458 -46.0101 -46.0101 -9.5478 -9.5478 -8.4675 -8.4675 1.9525 1.9525 3.7334 3.7334 3.9331 3.9331 4.8554 4.8554 5.5194 5.5194 6.7627 6.7627 9.0539 9.0539 9.4501 9.4501 9.9677 9.9677 11.4968 11.4968 11.7920 11.7920 19.8496 19.8496 21.3506 21.3506 k = 0.2734-0.3840-0.7643 ( 2510 PWs) bands (ev): -82.1188 -82.1188 -47.8190 -47.8190 -46.1463 -46.1463 -46.0102 -46.0102 -9.5298 -9.5298 -8.4722 -8.4722 1.9738 1.9738 3.7331 3.7331 3.9239 3.9239 4.8304 4.8304 5.5361 5.5361 6.7161 6.7161 9.0570 9.0570 9.4455 9.4455 9.9653 9.9653 11.4948 11.4948 11.7897 11.7897 19.9357 19.9357 21.3093 21.3093 k = 0.2779-0.3903-0.7768 ( 2512 PWs) bands (ev): -82.1188 -82.1188 -47.8193 -47.8193 -46.1468 -46.1468 -46.0103 -46.0103 -9.5130 -9.5130 -8.4770 -8.4770 1.9940 1.9940 3.7356 3.7356 3.9143 3.9143 4.8042 4.8042 5.5552 5.5552 6.6698 6.6698 9.0599 9.0599 9.4420 9.4420 9.9625 9.9625 11.4927 11.4927 11.7861 11.7861 20.0212 20.0212 21.2710 21.2710 k = 0.2823-0.3966-0.7893 ( 2508 PWs) bands (ev): -82.1185 -82.1185 -47.8195 -47.8195 -46.1472 -46.1472 -46.0104 -46.0104 -9.4973 -9.4973 -8.4817 -8.4817 2.0130 2.0130 3.7412 3.7412 3.9045 3.9045 4.7770 4.7770 5.5766 5.5766 6.6238 6.6238 9.0635 9.0635 9.4405 9.4405 9.9593 9.9593 11.4912 11.4912 11.7830 11.7830 20.1060 20.1060 21.2360 21.2360 k = 0.2868-0.4029-0.8019 ( 2514 PWs) bands (ev): -82.1187 -82.1187 -47.8198 -47.8198 -46.1476 -46.1476 -46.0105 -46.0105 -9.4827 -9.4827 -8.4864 -8.4864 2.0309 2.0309 3.7495 3.7495 3.8946 3.8946 4.7488 4.7488 5.5999 5.5999 6.5780 6.5780 9.0660 9.0660 9.4392 9.4392 9.9547 9.9547 11.4889 11.4889 11.7782 11.7782 20.1895 20.1895 21.2041 21.2041 k = 0.2913-0.4091-0.8144 ( 2514 PWs) bands (ev): -82.1187 -82.1187 -47.8200 -47.8200 -46.1480 -46.1480 -46.0106 -46.0106 -9.4693 -9.4693 -8.4910 -8.4910 2.0476 2.0476 3.7610 3.7610 3.8846 3.8846 4.7198 4.7198 5.6253 5.6253 6.5327 6.5327 9.0691 9.0691 9.4389 9.4389 9.9494 9.9494 11.4878 11.4878 11.7746 11.7746 20.2716 20.2716 21.1760 21.1760 k = 0.2958-0.4154-0.8269 ( 2514 PWs) bands (ev): -82.1186 -82.1186 -47.8202 -47.8202 -46.1483 -46.1483 -46.0106 -46.0106 -9.4570 -9.4570 -8.4957 -8.4957 2.0629 2.0629 3.7754 3.7754 3.8748 3.8748 4.6902 4.6902 5.6525 5.6525 6.4877 6.4877 9.0720 9.0720 9.4395 9.4395 9.9436 9.9436 11.4866 11.4866 11.7711 11.7711 20.3515 20.3515 21.1521 21.1521 k = 0.3003-0.4217-0.8395 ( 2512 PWs) bands (ev): -82.1185 -82.1185 -47.8203 -47.8203 -46.1485 -46.1485 -46.0107 -46.0107 -9.4458 -9.4458 -8.5003 -8.5003 2.0769 2.0769 3.7927 3.7927 3.8653 3.8653 4.6601 4.6601 5.6811 5.6811 6.4432 6.4432 9.0750 9.0750 9.4423 9.4423 9.9372 9.9372 11.4853 11.4853 11.7676 11.7676 20.4287 20.4287 21.1331 21.1331 k = 0.3047-0.4280-0.8520 ( 2506 PWs) bands (ev): -82.1182 -82.1182 -47.8204 -47.8204 -46.1486 -46.1486 -46.0107 -46.0107 -9.4357 -9.4357 -8.5048 -8.5048 2.0893 2.0893 3.8131 3.8131 3.8562 3.8562 4.6296 4.6296 5.7111 5.7111 6.3993 6.3993 9.0782 9.0782 9.4455 9.4455 9.9312 9.9312 11.4839 11.4839 11.7654 11.7654 20.5016 20.5016 21.1203 21.1203 k = 0.3092-0.4343-0.8645 ( 2506 PWs) bands (ev): -82.1181 -82.1181 -47.8205 -47.8205 -46.1488 -46.1488 -46.0107 -46.0107 -9.4267 -9.4267 -8.5093 -8.5093 2.1002 2.1002 3.8357 3.8357 3.8482 3.8482 4.5987 4.5987 5.7419 5.7419 6.3558 6.3558 9.0809 9.0809 9.4490 9.4490 9.9233 9.9233 11.4824 11.4824 11.7626 11.7626 20.5684 20.5684 21.1151 21.1151 k = 0.3137-0.4406-0.8770 ( 2506 PWs) bands (ev): -82.1181 -82.1181 -47.8206 -47.8206 -46.1490 -46.1490 -46.0108 -46.0108 -9.4187 -9.4187 -8.5138 -8.5138 2.1094 2.1094 3.8381 3.8381 3.8642 3.8642 4.5677 4.5677 5.7735 5.7735 6.3130 6.3130 9.0833 9.0833 9.4530 9.4530 9.9151 9.9151 11.4806 11.4806 11.7605 11.7605 20.6269 20.6269 21.1198 21.1198 k = 0.3182-0.4469-0.8896 ( 2506 PWs) bands (ev): -82.1181 -82.1181 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.4118 -9.4118 -8.5182 -8.5182 2.1168 2.1168 3.8306 3.8306 3.8937 3.8937 4.5367 4.5367 5.8055 5.8055 6.2710 6.2710 9.0859 9.0859 9.4582 9.4582 9.9059 9.9059 11.4788 11.4788 11.7580 11.7580 20.6746 20.6746 21.1366 21.1366 k = 0.3227-0.4532-0.9021 ( 2502 PWs) bands (ev): -82.1179 -82.1179 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.4060 -9.4060 -8.5226 -8.5226 2.1225 2.1225 3.8236 3.8236 3.9266 3.9266 4.5058 4.5058 5.8376 5.8376 6.2301 6.2301 9.0887 9.0887 9.4641 9.4641 9.8964 9.8964 11.4769 11.4769 11.7573 11.7573 20.7099 20.7099 21.1178 21.1178 k = 0.3272-0.4595-0.9146 ( 2498 PWs) bands (ev): -82.1177 -82.1177 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.4011 -9.4011 -8.5269 -8.5269 2.1264 2.1264 3.8173 3.8173 3.9628 3.9628 4.4751 4.4751 5.8690 5.8690 6.1908 6.1908 9.0914 9.0914 9.4705 9.4705 9.8861 9.8861 11.4750 11.4750 11.7571 11.7571 20.7329 20.7329 21.0626 21.0626 k = 0.3316-0.4658-0.9272 ( 2498 PWs) bands (ev): -82.1177 -82.1177 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.3971 -9.3971 -8.5311 -8.5311 2.1283 2.1283 3.8117 3.8117 4.0020 4.0020 4.4448 4.4448 5.8986 5.8986 6.1540 6.1540 9.0932 9.0932 9.4761 9.4761 9.8743 9.8743 11.4728 11.4728 11.7586 11.7586 20.7457 20.7457 21.0084 21.0084 k = 0.3361-0.4721-0.9397 ( 2498 PWs) bands (ev): -82.1177 -82.1177 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.3940 -9.3940 -8.5353 -8.5353 2.1284 2.1284 3.8069 3.8069 4.0442 4.0442 4.4149 4.4149 5.9241 5.9241 6.1220 6.1220 9.0948 9.0948 9.4822 9.4822 9.8623 9.8623 11.4701 11.4701 11.7606 11.7606 20.7511 20.7511 20.9553 20.9553 k = 0.3406-0.4784-0.9522 ( 2496 PWs) bands (ev): -82.1176 -82.1176 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.3919 -9.3919 -8.5394 -8.5394 2.1266 2.1266 3.8031 3.8031 4.0895 4.0895 4.3856 4.3856 5.9405 5.9405 6.0996 6.0996 9.0967 9.0967 9.4883 9.4883 9.8496 9.8496 11.4672 11.4672 11.7643 11.7643 20.7516 20.7516 20.9032 20.9032 k = 0.3451-0.4847-0.9648 ( 2500 PWs) bands (ev): -82.1178 -82.1178 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.3905 -9.3905 -8.5434 -8.5434 2.1229 2.1229 3.8001 3.8001 4.1374 4.1374 4.3572 4.3572 5.9404 5.9404 6.0941 6.0941 9.0972 9.0972 9.4941 9.4941 9.8356 9.8356 11.4637 11.4637 11.7686 11.7686 20.7489 20.7489 20.8522 20.8522 k = 0.6549-0.3249-0.8662 ( 2500 PWs) bands (ev): -82.1178 -82.1178 -47.8206 -47.8206 -46.1491 -46.1491 -46.0108 -46.0108 -9.3905 -9.3905 -8.5434 -8.5434 2.1229 2.1229 3.8001 3.8001 4.1374 4.1374 4.3572 4.3572 5.9404 5.9404 6.0941 6.0941 9.0972 9.0972 9.4941 9.4941 9.8356 9.8356 11.4637 11.4637 11.7686 11.7686 20.7489 20.7489 20.8522 20.8522 k = 0.6505-0.3110-0.8662 ( 2502 PWs) bands (ev): -82.1179 -82.1179 -47.8206 -47.8206 -46.1490 -46.1490 -46.0108 -46.0108 -9.3899 -9.3899 -8.5473 -8.5473 2.1175 2.1175 3.7980 3.7980 4.1870 4.1870 4.3305 4.3305 5.9228 5.9228 6.1062 6.1062 9.0973 9.0973 9.5001 9.5001 9.8220 9.8220 11.4600 11.4600 11.7739 11.7739 20.7441 20.7441 20.8030 20.8030 k = 0.6461-0.2972-0.8662 ( 2508 PWs) bands (ev): -82.1182 -82.1182 -47.8206 -47.8206 -46.1490 -46.1490 -46.0108 -46.0108 -9.3901 -9.3901 -8.5511 -8.5511 2.1104 2.1104 3.7969 3.7969 4.2360 4.2360 4.3078 4.3078 5.8946 5.8946 6.1290 6.1290 9.0967 9.0967 9.5055 9.5055 9.8074 9.8074 11.4558 11.4558 11.7799 11.7799 20.7373 20.7373 20.7557 20.7557 k = 0.6416-0.2833-0.8662 ( 2508 PWs) bands (ev): -82.1182 -82.1182 -47.8205 -47.8205 -46.1489 -46.1489 -46.0108 -46.0108 -9.3909 -9.3909 -8.5549 -8.5549 2.1017 2.1017 3.7968 3.7968 4.2594 4.2594 4.3140 4.3140 5.8616 5.8616 6.1569 6.1569 9.0959 9.0959 9.5114 9.5114 9.7929 9.7929 11.4516 11.4516 11.7884 11.7884 20.7058 20.7058 20.7332 20.7332 k = 0.6372-0.2695-0.8662 ( 2506 PWs) bands (ev): -82.1182 -82.1182 -47.8204 -47.8204 -46.1488 -46.1488 -46.0107 -46.0107 -9.3923 -9.3923 -8.5585 -8.5585 2.0915 2.0915 3.7977 3.7977 4.2420 4.2420 4.3645 4.3645 5.8263 5.8263 6.1869 6.1869 9.0950 9.0950 9.5174 9.5174 9.7782 9.7782 11.4474 11.4474 11.7981 11.7981 20.6600 20.6600 20.7257 20.7257 k = 0.6328-0.2556-0.8662 ( 2506 PWs) bands (ev): -82.1182 -82.1182 -47.8203 -47.8203 -46.1486 -46.1486 -46.0106 -46.0106 -9.3943 -9.3943 -8.5621 -8.5621 2.0799 2.0799 3.7996 3.7996 4.2188 4.2188 4.4238 4.4238 5.7900 5.7900 6.2177 6.2177 9.0930 9.0930 9.5229 9.5229 9.7633 9.7633 11.4424 11.4424 11.8092 11.8092 20.6148 20.6148 20.7183 20.7183 k = 0.6284-0.2418-0.8662 ( 2506 PWs) bands (ev): -82.1182 -82.1182 -47.8202 -47.8202 -46.1485 -46.1485 -46.0105 -46.0105 -9.3968 -9.3968 -8.5656 -8.5656 2.0670 2.0670 3.8024 3.8024 4.1953 4.1953 4.4865 4.4865 5.7534 5.7534 6.2486 6.2486 9.0898 9.0898 9.5278 9.5278 9.7483 9.7483 11.4371 11.4371 11.8225 11.8225 20.5704 20.5704 20.7107 20.7107 k = 0.6239-0.2279-0.8662 ( 2504 PWs) bands (ev): -82.1182 -82.1182 -47.8201 -47.8201 -46.1483 -46.1483 -46.0104 -46.0104 -9.3998 -9.3998 -8.5690 -8.5690 2.0530 2.0530 3.8062 3.8062 4.1722 4.1722 4.5516 4.5516 5.7166 5.7166 6.2794 6.2794 9.0863 9.0863 9.5329 9.5329 9.7337 9.7337 11.4315 11.4315 11.8366 11.8366 20.5271 20.5271 20.7031 20.7031 k = 0.6195-0.2141-0.8662 ( 2504 PWs) bands (ev): -82.1182 -82.1182 -47.8200 -47.8200 -46.1481 -46.1481 -46.0104 -46.0104 -9.4033 -9.4033 -8.5723 -8.5723 2.0379 2.0379 3.8110 3.8110 4.1499 4.1499 4.6187 4.6187 5.6799 5.6799 6.3096 6.3096 9.0817 9.0817 9.5371 9.5371 9.7187 9.7187 11.4255 11.4255 11.8520 11.8520 20.4848 20.4848 20.6953 20.6953 k = 0.6151-0.2002-0.8662 ( 2502 PWs) bands (ev): -82.1182 -82.1182 -47.8199 -47.8199 -46.1480 -46.1480 -46.0102 -46.0102 -9.4071 -9.4071 -8.5755 -8.5755 2.0220 2.0220 3.8168 3.8168 4.1283 4.1283 4.6876 4.6876 5.6435 5.6435 6.3392 6.3392 9.0764 9.0764 9.5407 9.5407 9.7041 9.7041 11.4192 11.4192 11.8694 11.8694 20.4435 20.4435 20.6874 20.6874 k = 0.6107-0.1864-0.8662 ( 2506 PWs) bands (ev): -82.1184 -82.1184 -47.8198 -47.8198 -46.1478 -46.1478 -46.0101 -46.0101 -9.4112 -9.4112 -8.5786 -8.5786 2.0053 2.0053 3.8234 3.8234 4.1075 4.1075 4.7579 4.7579 5.6073 5.6073 6.3679 6.3679 9.0695 9.0695 9.5427 9.5427 9.6892 9.6892 11.4125 11.4125 11.8872 11.8872 20.4034 20.4034 20.6793 20.6793 k = 0.6062-0.1725-0.8662 ( 2510 PWs) bands (ev): -82.1186 -82.1186 -47.8197 -47.8197 -46.1477 -46.1477 -46.0100 -46.0100 -9.4156 -9.4156 -8.5816 -8.5816 1.9879 1.9879 3.8309 3.8309 4.0876 4.0876 4.8294 4.8294 5.5713 5.5713 6.3958 6.3958 9.0616 9.0616 9.5441 9.5441 9.6756 9.6756 11.4045 11.4045 11.9061 11.9061 20.3643 20.3643 20.6710 20.6710 k = 0.6018-0.1587-0.8662 ( 2508 PWs) bands (ev): -82.1186 -82.1186 -47.8196 -47.8196 -46.1475 -46.1475 -46.0099 -46.0099 -9.4203 -9.4203 -8.5845 -8.5845 1.9703 1.9703 3.8393 3.8393 4.0686 4.0686 4.9021 4.9021 5.5360 5.5360 6.4227 6.4227 9.0529 9.0529 9.5446 9.5446 9.6633 9.6633 11.3979 11.3979 11.9268 11.9268 20.3264 20.3264 20.6625 20.6625 k = 0.5974-0.1448-0.8662 ( 2510 PWs) bands (ev): -82.1187 -82.1187 -47.8195 -47.8195 -46.1473 -46.1473 -46.0098 -46.0098 -9.4251 -9.4251 -8.5873 -8.5873 1.9522 1.9522 3.8485 3.8485 4.0504 4.0504 4.9755 4.9755 5.5008 5.5008 6.4485 6.4485 9.0430 9.0430 9.5431 9.5431 9.6528 9.6528 11.3902 11.3902 11.9473 11.9473 20.2896 20.2896 20.6538 20.6538 k = 0.5929-0.1310-0.8662 ( 2506 PWs) bands (ev): -82.1186 -82.1186 -47.8193 -47.8193 -46.1471 -46.1471 -46.0096 -46.0096 -9.4301 -9.4301 -8.5900 -8.5900 1.9340 1.9340 3.8585 3.8585 4.0331 4.0331 5.0494 5.0494 5.4663 5.4663 6.4734 6.4734 9.0328 9.0328 9.5402 9.5402 9.6450 9.6450 11.3827 11.3827 11.9694 11.9694 20.2541 20.2541 20.6450 20.6450 k = 0.5885-0.1171-0.8662 ( 2508 PWs) bands (ev): -82.1187 -82.1187 -47.8192 -47.8192 -46.1469 -46.1469 -46.0096 -46.0096 -9.4351 -9.4351 -8.5926 -8.5926 1.9158 1.9158 3.8692 3.8692 4.0165 4.0165 5.1234 5.1234 5.4323 5.4323 6.4971 6.4971 9.0206 9.0206 9.5348 9.5348 9.6390 9.6390 11.3737 11.3737 11.9918 11.9918 20.2198 20.2198 20.6358 20.6358 k = 0.5841-0.1033-0.8662 ( 2508 PWs) bands (ev): -82.1187 -82.1187 -47.8190 -47.8190 -46.1467 -46.1467 -46.0094 -46.0094 -9.4403 -9.4403 -8.5951 -8.5951 1.8976 1.8976 3.8806 3.8806 4.0008 4.0008 5.1973 5.1973 5.3990 5.3990 6.5196 6.5196 9.0074 9.0074 9.5273 9.5273 9.6349 9.6349 11.3657 11.3657 12.0149 12.0149 20.1868 20.1868 20.6265 20.6265 k = 0.5797-0.0895-0.8662 ( 2510 PWs) bands (ev): -82.1189 -82.1189 -47.8189 -47.8189 -46.1466 -46.1466 -46.0093 -46.0093 -9.4454 -9.4454 -8.5974 -8.5974 1.8796 1.8796 3.8925 3.8925 3.9860 3.9860 5.2707 5.2707 5.3666 5.3666 6.5409 6.5409 8.9931 8.9931 9.5177 9.5177 9.6325 9.6325 11.3576 11.3576 12.0383 12.0383 20.1552 20.1552 20.6169 20.6169 k = 0.5752-0.0756-0.8662 ( 2512 PWs) bands (ev): -82.1190 -82.1190 -47.8188 -47.8188 -46.1464 -46.1464 -46.0092 -46.0092 -9.4505 -9.4505 -8.5996 -8.5996 1.8620 1.8620 3.9050 3.9050 3.9720 3.9720 5.3297 5.3297 5.3486 5.3486 6.5611 6.5611 8.9772 8.9772 9.5072 9.5072 9.6314 9.6314 11.3496 11.3496 12.0620 12.0620 20.1249 20.1249 20.6072 20.6072 k = 0.5708-0.0618-0.8662 ( 2514 PWs) bands (ev): -82.1192 -82.1192 -47.8187 -47.8187 -46.1462 -46.1462 -46.0091 -46.0091 -9.4555 -9.4555 -8.6018 -8.6018 1.8448 1.8448 3.9178 3.9178 3.9589 3.9589 5.3022 5.3022 5.4169 5.4169 6.5800 6.5800 8.9608 8.9608 9.4956 9.4956 9.6315 9.6315 11.3416 11.3416 12.0857 12.0857 20.0960 20.0960 20.5974 20.5974 k = 0.5664-0.0479-0.8662 ( 2514 PWs) bands (ev): -82.1192 -82.1192 -47.8186 -47.8186 -46.1460 -46.1460 -46.0090 -46.0090 -9.4604 -9.4604 -8.6038 -8.6038 1.8281 1.8281 3.9309 3.9309 3.9467 3.9467 5.2721 5.2721 5.4874 5.4874 6.5977 6.5977 8.9440 8.9440 9.4842 9.4842 9.6325 9.6325 11.3337 11.3337 12.1092 12.1092 20.0686 20.0686 20.5876 20.5876 k = 0.5620-0.0341-0.8662 ( 2514 PWs) bands (ev): -82.1192 -82.1192 -47.8185 -47.8185 -46.1459 -46.1459 -46.0089 -46.0089 -9.4651 -9.4651 -8.6057 -8.6057 1.8120 1.8120 3.9344 3.9344 3.9451 3.9451 5.2428 5.2428 5.5563 5.5563 6.6143 6.6143 8.9265 8.9265 9.4728 9.4728 9.6339 9.6339 11.3259 11.3259 12.1323 12.1323 20.0427 20.0427 20.5778 20.5778 k = 0.5575-0.0202-0.8662 ( 2510 PWs) bands (ev): -82.1191 -82.1191 -47.8183 -47.8183 -46.1457 -46.1457 -46.0087 -46.0087 -9.4697 -9.4697 -8.6074 -8.6074 1.7967 1.7967 3.9240 3.9240 3.9585 3.9585 5.2146 5.2146 5.6232 5.6232 6.6296 6.6296 8.9089 8.9089 9.4626 9.4626 9.6360 9.6360 11.3186 11.3186 12.1552 12.1552 20.0183 20.0183 20.5681 20.5681 k = 0.5531-0.0064-0.8662 ( 2512 PWs) bands (ev): -82.1192 -82.1192 -47.8182 -47.8182 -46.1456 -46.1456 -46.0086 -46.0086 -9.4741 -9.4741 -8.6090 -8.6090 1.7822 1.7822 3.9141 3.9141 3.9720 3.9720 5.1873 5.1873 5.6877 5.6877 6.6437 6.6437 8.8907 8.8907 9.4519 9.4519 9.6377 9.6377 11.3112 11.3112 12.1763 12.1763 19.9955 19.9955 20.5586 20.5586 k = 0.5487 0.0075-0.8662 ( 2514 PWs) bands (ev): -82.1193 -82.1193 -47.8181 -47.8181 -46.1455 -46.1455 -46.0085 -46.0085 -9.4782 -9.4782 -8.6106 -8.6106 1.7686 1.7686 3.9050 3.9050 3.9854 3.9854 5.1614 5.1614 5.7492 5.7492 6.6566 6.6566 8.8720 8.8720 9.4415 9.4415 9.6395 9.6395 11.3039 11.3039 12.1969 12.1969 19.9744 19.9744 20.5493 20.5493 k = 0.5443 0.0213-0.8662 ( 2512 PWs) bands (ev): -82.1192 -82.1192 -47.8180 -47.8180 -46.1453 -46.1453 -46.0084 -46.0084 -9.4821 -9.4821 -8.6119 -8.6119 1.7559 1.7559 3.8967 3.8967 3.9986 3.9986 5.1371 5.1371 5.8075 5.8075 6.6684 6.6684 8.8538 8.8538 9.4324 9.4324 9.6416 9.6416 11.2974 11.2974 12.2171 12.2171 19.9549 19.9549 20.5405 20.5405 k = 0.5398 0.0352-0.8662 ( 2508 PWs) bands (ev): -82.1191 -82.1191 -47.8179 -47.8179 -46.1451 -46.1451 -46.0083 -46.0083 -9.4856 -9.4856 -8.6132 -8.6132 1.7442 1.7442 3.8892 3.8892 4.0113 4.0113 5.1144 5.1144 5.8621 5.8621 6.6790 6.6790 8.8364 8.8364 9.4240 9.4240 9.6434 9.6434 11.2924 11.2924 12.2361 12.2361 19.9372 19.9372 20.5321 20.5321 k = 0.5354 0.0490-0.8662 ( 2510 PWs) bands (ev): -82.1192 -82.1192 -47.8178 -47.8178 -46.1451 -46.1451 -46.0082 -46.0082 -9.4889 -9.4889 -8.6143 -8.6143 1.7336 1.7336 3.8824 3.8824 4.0233 4.0233 5.0934 5.0934 5.9125 5.9125 6.6884 6.6884 8.8192 8.8192 9.4149 9.4149 9.6451 9.6451 11.2864 11.2864 12.2536 12.2536 19.9212 19.9212 20.5243 20.5243 k = 0.5310 0.0629-0.8662 ( 2510 PWs) bands (ev): -82.1192 -82.1192 -47.8177 -47.8177 -46.1450 -46.1450 -46.0081 -46.0081 -9.4918 -9.4918 -8.6153 -8.6153 1.7242 1.7242 3.8764 3.8764 4.0346 4.0346 5.0741 5.0741 5.9583 5.9583 6.6967 6.6967 8.8033 8.8033 9.4083 9.4083 9.6466 9.6466 11.2812 11.2812 12.2684 12.2684 19.9070 19.9070 20.5171 20.5171 k = 0.5266 0.0767-0.8662 ( 2510 PWs) bands (ev): -82.1192 -82.1192 -47.8177 -47.8177 -46.1449 -46.1449 -46.0081 -46.0081 -9.4944 -9.4944 -8.6162 -8.6162 1.7159 1.7159 3.8713 3.8713 4.0448 4.0448 5.0570 5.0570 5.9990 5.9990 6.7038 6.7038 8.7887 8.7887 9.4018 9.4018 9.6477 9.6477 11.2768 11.2768 12.2822 12.2822 19.8946 19.8946 20.5107 20.5107 k = 0.5221 0.0906-0.8662 ( 2508 PWs) bands (ev): -82.1191 -82.1191 -47.8176 -47.8176 -46.1448 -46.1448 -46.0080 -46.0080 -9.4966 -9.4966 -8.6169 -8.6169 1.7088 1.7088 3.8669 3.8669 4.0538 4.0538 5.0422 5.0422 6.0343 6.0343 6.7098 6.7098 8.7759 8.7759 9.3965 9.3965 9.6492 9.6492 11.2729 11.2729 12.2942 12.2942 19.8841 19.8841 20.5052 20.5052 k = 0.5177 0.1044-0.8662 ( 2514 PWs) bands (ev): -82.1194 -82.1194 -47.8176 -47.8176 -46.1448 -46.1448 -46.0080 -46.0080 -9.4984 -9.4984 -8.6175 -8.6175 1.7030 1.7030 3.8634 3.8634 4.0615 4.0615 5.0297 5.0297 6.0638 6.0638 6.7147 6.7147 8.7641 8.7641 9.3913 9.3913 9.6494 9.6494 11.2692 11.2692 12.3033 12.3033 19.8754 19.8754 20.5005 20.5005 k = 0.5133 0.1183-0.8662 ( 2514 PWs) bands (ev): -82.1195 -82.1195 -47.8176 -47.8176 -46.1447 -46.1447 -46.0080 -46.0080 -9.4998 -9.4998 -8.6180 -8.6180 1.6984 1.6984 3.8606 3.8606 4.0677 4.0677 5.0198 5.0198 6.0871 6.0871 6.7186 6.7186 8.7552 8.7552 9.3879 9.3879 9.6501 9.6501 11.2666 11.2666 12.3109 12.3109 19.8686 19.8686 20.4968 20.4968 k = 0.5089 0.1321-0.8662 ( 2518 PWs) bands (ev): -82.1197 -82.1197 -47.8176 -47.8176 -46.1448 -46.1448 -46.0079 -46.0079 -9.5009 -9.5009 -8.6183 -8.6183 1.6951 1.6951 3.8586 3.8586 4.0722 4.0722 5.0127 5.0127 6.1040 6.1040 6.7213 6.7213 8.7486 8.7486 9.3843 9.3843 9.6495 9.6495 11.2646 11.2646 12.3167 12.3167 19.8638 19.8638 20.4941 20.4941 k = 0.5044 0.1460-0.8662 ( 2516 PWs) bands (ev): -82.1196 -82.1196 -47.8176 -47.8176 -46.1447 -46.1447 -46.0079 -46.0079 -9.5015 -9.5015 -8.6185 -8.6185 1.6932 1.6932 3.8574 3.8574 4.0749 4.0749 5.0084 5.0084 6.1142 6.1142 6.7229 6.7229 8.7449 8.7449 9.3832 9.3832 9.6499 9.6499 11.2636 11.2636 12.3201 12.3201 19.8609 19.8609 20.4925 20.4925 k = 0.5000 0.1598-0.8662 ( 2516 PWs) bands (ev): -82.1196 -82.1196 -47.8176 -47.8176 -46.1447 -46.1447 -46.0079 -46.0079 -9.5017 -9.5017 -8.6186 -8.6186 1.6925 1.6925 3.8570 3.8570 4.0758 4.0758 5.0069 5.0069 6.1176 6.1176 6.7235 6.7235 8.7436 8.7436 9.3827 9.3827 9.6500 9.6500 11.2632 11.2632 12.3212 12.3212 19.8599 19.8599 20.4920 20.4920 k = 0.5000 0.1598-0.8662 ( 2516 PWs) bands (ev): -82.1196 -82.1196 -47.8176 -47.8176 -46.1447 -46.1447 -46.0079 -46.0079 -9.5017 -9.5017 -8.6186 -8.6186 1.6925 1.6925 3.8570 3.8570 4.0758 4.0758 5.0069 5.0069 6.1176 6.1176 6.7235 6.7235 8.7436 8.7436 9.3827 9.3827 9.6500 9.6500 11.2632 11.2632 12.3212 12.3212 19.8599 19.8599 20.4920 20.4920 k = 0.5119 0.1636-0.8586 ( 2516 PWs) bands (ev): -82.1196 -82.1196 -47.8176 -47.8176 -46.1447 -46.1447 -46.0079 -46.0079 -9.5013 -9.5013 -8.6191 -8.6191 1.6929 1.6929 3.8548 3.8548 4.0787 4.0787 5.0064 5.0064 6.1184 6.1184 6.7214 6.7214 8.7447 8.7447 9.3827 9.3827 9.6500 9.6500 11.2643 11.2643 12.3207 12.3207 19.8516 19.8516 20.4983 20.4983 k = 0.5238 0.1674-0.8510 ( 2512 PWs) bands (ev): -82.1194 -82.1194 -47.8175 -47.8175 -46.1447 -46.1447 -46.0079 -46.0079 -9.5003 -9.5003 -8.6208 -8.6208 1.6941 1.6941 3.8484 3.8484 4.0871 4.0871 5.0048 5.0048 6.1208 6.1208 6.7154 6.7154 8.7483 8.7483 9.3832 9.3832 9.6510 9.6510 11.2676 11.2676 12.3196 12.3196 19.8277 19.8277 20.5162 20.5162 k = 0.5357 0.1712-0.8434 ( 2512 PWs) bands (ev): -82.1194 -82.1194 -47.8175 -47.8175 -46.1446 -46.1446 -46.0079 -46.0079 -9.4986 -9.4986 -8.6236 -8.6236 1.6960 1.6960 3.8381 3.8381 4.1006 4.1006 5.0021 5.0021 6.1247 6.1247 6.7054 6.7054 8.7531 8.7531 9.3838 9.3838 9.6514 9.6514 11.2728 11.2728 12.3175 12.3175 19.7910 19.7910 20.5428 20.5428 k = 0.5477 0.1750-0.8359 ( 2514 PWs) bands (ev): -82.1195 -82.1195 -47.8175 -47.8175 -46.1446 -46.1446 -46.0079 -46.0079 -9.4962 -9.4962 -8.6274 -8.6274 1.6986 1.6986 3.8244 3.8244 4.1188 4.1188 4.9982 4.9982 6.1302 6.1302 6.6915 6.6915 8.7602 8.7602 9.3840 9.3840 9.6514 9.6514 11.2802 11.2802 12.3140 12.3140 19.7445 19.7445 20.5751 20.5751 k = 0.5596 0.1789-0.8283 ( 2514 PWs) bands (ev): -82.1195 -82.1195 -47.8175 -47.8175 -46.1446 -46.1446 -46.0079 -46.0079 -9.4932 -9.4932 -8.6322 -8.6322 1.7022 1.7022 3.8079 3.8079 4.1413 4.1413 4.9932 4.9932 6.1370 6.1370 6.6739 6.6739 8.7700 8.7700 9.3842 9.3842 9.6513 9.6513 11.2897 11.2897 12.3095 12.3095 19.6910 19.6910 20.6105 20.6105 k = 0.5715 0.1827-0.8207 ( 2508 PWs) bands (ev): -82.1192 -82.1192 -47.8174 -47.8174 -46.1445 -46.1445 -46.0078 -46.0078 -9.4897 -9.4897 -8.6381 -8.6381 1.7065 1.7065 3.7887 3.7887 4.1677 4.1677 4.9878 4.9878 6.1452 6.1452 6.6527 6.6527 8.7811 8.7811 9.3854 9.3854 9.6522 9.6522 11.3020 11.3020 12.3052 12.3052 19.6328 19.6328 20.6466 20.6466 k = 0.5834 0.1865-0.8131 ( 2502 PWs) bands (ev): -82.1189 -82.1189 -47.8173 -47.8173 -46.1444 -46.1444 -46.0077 -46.0077 -9.4855 -9.4855 -8.6448 -8.6448 1.7117 1.7117 3.7671 3.7671 4.1979 4.1979 4.9815 4.9815 6.1546 6.1546 6.6281 6.6281 8.7943 8.7943 9.3867 9.3867 9.6524 9.6524 11.3159 11.3159 12.3002 12.3002 19.5714 19.5714 20.6820 20.6820 k = 0.5953 0.1903-0.8055 ( 2508 PWs) bands (ev): -82.1192 -82.1192 -47.8173 -47.8173 -46.1444 -46.1444 -46.0078 -46.0078 -9.4809 -9.4809 -8.6524 -8.6524 1.7177 1.7177 3.7429 3.7429 4.2317 4.2317 4.9741 4.9741 6.1650 6.1650 6.6003 6.6003 8.8075 8.8075 9.3870 9.3870 9.6513 9.6513 11.3307 11.3307 12.2930 12.2930 19.5081 19.5081 20.7153 20.7153 k = 0.6072 0.1941-0.7980 ( 2507 PWs) bands (ev): -82.1192 -82.1192 -47.8173 -47.8173 -46.1443 -46.1443 -46.0078 -46.0078 -9.4758 -9.4758 -8.6607 -8.6607 1.7246 1.7246 3.7165 3.7165 4.2691 4.2691 4.9663 4.9663 6.1764 6.1764 6.5695 6.5695 8.8215 8.8215 9.3880 9.3880 9.6519 9.6519 11.3479 11.3479 12.2860 12.2860 19.4439 19.4439 20.7458 20.7458 k = 0.6192 0.1979-0.7904 ( 2508 PWs) bands (ev): -82.1193 -82.1193 -47.8172 -47.8172 -46.1442 -46.1442 -46.0078 -46.0078 -9.4704 -9.4704 -8.6697 -8.6697 1.7324 1.7324 3.6881 3.6881 4.3098 4.3098 4.9580 4.9580 6.1886 6.1886 6.5359 6.5359 8.8369 8.8369 9.3888 9.3888 9.6515 9.6515 11.3663 11.3663 12.2785 12.2785 19.3793 19.3793 20.7732 20.7732 k = 0.6311 0.2017-0.7828 ( 2510 PWs) bands (ev): -82.1194 -82.1194 -47.8172 -47.8172 -46.1442 -46.1442 -46.0078 -46.0078 -9.4648 -9.4648 -8.6793 -8.6793 1.7411 1.7411 3.6576 3.6576 4.3539 4.3539 4.9491 4.9491 6.2015 6.2015 6.4997 6.4997 8.8533 8.8533 9.3893 9.3893 9.6514 9.6514 11.3862 11.3862 12.2693 12.2693 19.3151 19.3151 20.7969 20.7969 k = 0.6430 0.2055-0.7752 ( 2512 PWs) bands (ev): -82.1195 -82.1195 -47.8172 -47.8172 -46.1441 -46.1441 -46.0079 -46.0079 -9.4589 -9.4589 -8.6892 -8.6892 1.7507 1.7507 3.6252 3.6252 4.4012 4.4012 4.9400 4.9400 6.2148 6.2148 6.4612 6.4612 8.8696 8.8696 9.3900 9.3900 9.6509 9.6509 11.4081 11.4081 12.2601 12.2601 19.2516 19.2516 20.8169 20.8169 k = 0.6549 0.2093-0.7676 ( 2514 PWs) bands (ev): -82.1196 -82.1196 -47.8172 -47.8172 -46.1440 -46.1440 -46.0079 -46.0079 -9.4531 -9.4531 -8.6994 -8.6994 1.7613 1.7613 3.5909 3.5909 4.4516 4.4516 4.9308 4.9308 6.2283 6.2283 6.4207 6.4207 8.8861 8.8861 9.3902 9.3902 9.6508 9.6508 11.4312 11.4312 12.2507 12.2507 19.1893 19.1893 20.8332 20.8332 k = 0.6549 0.2093-0.7676 ( 2514 PWs) bands (ev): -82.1196 -82.1196 -47.8172 -47.8172 -46.1440 -46.1440 -46.0079 -46.0079 -9.4531 -9.4531 -8.6994 -8.6994 1.7613 1.7613 3.5909 3.5909 4.4516 4.4516 4.9308 4.9308 6.2283 6.2283 6.4207 6.4207 8.8861 8.8861 9.3902 9.3902 9.6508 9.6508 11.4312 11.4312 12.2507 12.2507 19.1893 19.1893 20.8332 20.8332 k = 0.6523 0.2085-0.7532 ( 2510 PWs) bands (ev): -82.1195 -82.1195 -47.8169 -47.8169 -46.1436 -46.1436 -46.0078 -46.0078 -9.4452 -9.4452 -8.7199 -8.7199 1.7707 1.7707 3.5993 3.5993 4.4832 4.4832 4.9247 4.9247 6.2354 6.2354 6.3836 6.3836 8.8982 8.8982 9.3951 9.3951 9.6506 9.6506 11.4287 11.4287 12.2456 12.2456 19.1362 19.1362 20.9183 20.9183 k = 0.6498 0.2077-0.7388 ( 2506 PWs) bands (ev): -82.1194 -82.1194 -47.8167 -47.8167 -46.1432 -46.1432 -46.0078 -46.0078 -9.4380 -9.4380 -8.7414 -8.7414 1.7804 1.7804 3.6102 3.6102 4.5157 4.5157 4.9183 4.9183 6.2421 6.2421 6.3469 6.3469 8.9105 8.9105 9.4013 9.4013 9.6517 9.6517 11.4244 11.4244 12.2403 12.2403 19.0856 19.0856 21.0033 21.0033 k = 0.6472 0.2069-0.7243 ( 2504 PWs) bands (ev): -82.1193 -82.1193 -47.8164 -47.8164 -46.1427 -46.1427 -46.0077 -46.0077 -9.4316 -9.4316 -8.7640 -8.7640 1.7904 1.7904 3.6237 3.6237 4.5488 4.5488 4.9115 4.9115 6.2475 6.2475 6.3116 6.3116 8.9227 8.9227 9.4075 9.4075 9.6541 9.6541 11.4188 11.4188 12.2346 12.2346 19.0375 19.0375 21.0879 21.0879 k = 0.6446 0.2060-0.7099 ( 2505 PWs) bands (ev): -82.1195 -82.1195 -47.8161 -47.8161 -46.1422 -46.1422 -46.0077 -46.0077 -9.4258 -9.4258 -8.7877 -8.7877 1.8007 1.8007 3.6398 3.6398 4.5825 4.5825 4.9043 4.9043 6.2450 6.2450 6.2844 6.2844 8.9344 8.9344 9.4140 9.4140 9.6582 9.6582 11.4116 11.4116 12.2279 12.2279 18.9918 18.9918 21.1715 21.1715 k = 0.6420 0.2052-0.6955 ( 2505 PWs) bands (ev): -82.1196 -82.1196 -47.8158 -47.8158 -46.1417 -46.1417 -46.0077 -46.0077 -9.4206 -9.4206 -8.8124 -8.8124 1.8112 1.8112 3.6585 3.6585 4.6165 4.6165 4.8966 4.8966 6.2206 6.2206 6.2796 6.2796 8.9461 8.9461 9.4218 9.4218 9.6637 9.6637 11.4034 11.4034 12.2207 12.2207 18.9485 18.9485 21.2537 21.2537 k = 0.6394 0.2044-0.6810 ( 2503 PWs) bands (ev): -82.1196 -82.1196 -47.8155 -47.8155 -46.1410 -46.1410 -46.0077 -46.0077 -9.4161 -9.4161 -8.8382 -8.8382 1.8220 1.8220 3.6799 3.6799 4.6507 4.6507 4.8885 4.8885 6.1858 6.1858 6.2857 6.2857 8.9576 8.9576 9.4308 9.4308 9.6713 9.6713 11.3942 11.3942 12.2132 12.2132 18.9074 18.9074 21.3336 21.3336 k = 0.6368 0.2035-0.6666 ( 2504 PWs) bands (ev): -82.1197 -82.1197 -47.8151 -47.8151 -46.1403 -46.1403 -46.0077 -46.0077 -9.4121 -9.4121 -8.8648 -8.8648 1.8330 1.8330 3.7039 3.7039 4.6849 4.6849 4.8799 4.8799 6.1490 6.1490 6.2945 6.2945 8.9687 8.9687 9.4401 9.4401 9.6800 9.6800 11.3835 11.3835 12.2052 12.2052 18.8685 18.8685 21.4102 21.4102 k = 0.6343 0.2027-0.6521 ( 2508 PWs) bands (ev): -82.1200 -82.1200 -47.8148 -47.8148 -46.1396 -46.1396 -46.0077 -46.0077 -9.4088 -9.4088 -8.8924 -8.8924 1.8442 1.8442 3.7306 3.7306 4.7189 4.7189 4.8709 4.8709 6.1119 6.1119 6.3047 6.3047 8.9793 8.9793 9.4499 9.4499 9.6891 9.6891 11.3714 11.3714 12.1969 12.1969 18.8315 18.8315 21.4823 21.4823 k = 0.6317 0.2019-0.6377 ( 2507 PWs) bands (ev): -82.1201 -82.1201 -47.8143 -47.8143 -46.1388 -46.1388 -46.0076 -46.0076 -9.4060 -9.4060 -8.9208 -8.9208 1.8557 1.8557 3.7598 3.7598 4.7526 4.7526 4.8614 4.8614 6.0751 6.0751 6.3158 6.3158 8.9894 8.9894 9.4610 9.4610 9.7008 9.7008 11.3597 11.3597 12.1883 12.1883 18.7966 18.7966 21.5485 21.5485 k = 0.6291 0.2011-0.6233 ( 2510 PWs) bands (ev): -82.1203 -82.1203 -47.8139 -47.8139 -46.1380 -46.1380 -46.0076 -46.0076 -9.4037 -9.4037 -8.9500 -8.9500 1.8675 1.8675 3.7914 3.7914 4.7856 4.7856 4.8512 4.8512 6.0387 6.0387 6.3277 6.3277 8.9985 8.9985 9.4714 9.4714 9.7143 9.7143 11.3468 11.3468 12.1791 12.1791 18.7633 18.7633 21.6070 21.6070 k = 0.6265 0.2002-0.6088 ( 2504 PWs) bands (ev): -82.1202 -82.1202 -47.8133 -47.8133 -46.1370 -46.1370 -46.0076 -46.0076 -9.4020 -9.4020 -8.9800 -8.9800 1.8797 1.8797 3.8255 3.8255 4.8179 4.8179 4.8409 4.8409 6.0032 6.0032 6.3407 6.3407 9.0084 9.0084 9.4831 9.4831 9.7292 9.7292 11.3353 11.3353 12.1702 12.1702 18.7318 18.7318 21.6563 21.6563 k = 0.6239 0.1994-0.5944 ( 2505 PWs) bands (ev): -82.1204 -82.1204 -47.8128 -47.8128 -46.1361 -46.1361 -46.0075 -46.0075 -9.4008 -9.4008 -9.0107 -9.0107 1.8922 1.8922 3.8615 3.8615 4.8291 4.8291 4.8500 4.8500 5.9686 5.9686 6.3545 6.3545 9.0173 9.0173 9.4938 9.4938 9.7450 9.7450 11.3224 11.3224 12.1608 12.1608 18.7017 18.7017 21.6951 21.6951 k = 0.6214 0.1986-0.5800 ( 2509 PWs) bands (ev): -82.1207 -82.1207 -47.8123 -47.8123 -46.1352 -46.1352 -46.0075 -46.0075 -9.4001 -9.4001 -9.0420 -9.0420 1.9051 1.9051 3.8994 3.8994 4.8176 4.8176 4.8805 4.8805 5.9351 5.9351 6.3692 6.3692 9.0253 9.0253 9.5043 9.5043 9.7617 9.7617 11.3091 11.3091 12.1511 12.1511 18.6729 18.6729 21.7226 21.7226 k = 0.6188 0.1978-0.5655 ( 2506 PWs) bands (ev): -82.1208 -82.1208 -47.8117 -47.8117 -46.1341 -46.1341 -46.0074 -46.0074 -9.4000 -9.4000 -9.0737 -9.0737 1.9184 1.9184 3.9388 3.9388 4.8055 4.8055 4.9102 4.9102 5.9032 5.9032 6.3851 6.3851 9.0334 9.0334 9.5153 9.5153 9.7804 9.7804 11.2967 11.2967 12.1421 12.1421 18.6454 18.6454 21.7388 21.7388 k = 0.6162 0.1969-0.5511 ( 2510 PWs) bands (ev): -82.1211 -82.1211 -47.8112 -47.8112 -46.1331 -46.1331 -46.0074 -46.0074 -9.4003 -9.4003 -9.1060 -9.1060 1.9321 1.9321 3.9793 3.9793 4.7928 4.7928 4.9388 4.9388 5.8728 5.8728 6.4020 6.4020 9.0412 9.0412 9.5255 9.5255 9.7979 9.7979 11.2841 11.2841 12.1329 12.1329 18.6188 18.6188 21.7441 21.7441 k = 0.6136 0.1961-0.5366 ( 2508 PWs) bands (ev): -82.1212 -82.1212 -47.8106 -47.8106 -46.1320 -46.1320 -46.0073 -46.0073 -9.4012 -9.4012 -9.1385 -9.1385 1.9464 1.9464 4.0205 4.0205 4.7796 4.7796 4.9665 4.9665 5.8442 5.8442 6.4200 6.4200 9.0491 9.0491 9.5354 9.5354 9.8174 9.8174 11.2726 11.2726 12.1242 12.1242 18.5931 18.5931 21.7399 21.7399 k = 0.6110 0.1953-0.5222 ( 2509 PWs) bands (ev): -82.1214 -82.1214 -47.8100 -47.8100 -46.1309 -46.1309 -46.0073 -46.0073 -9.4027 -9.4027 -9.1713 -9.1713 1.9614 1.9614 4.0617 4.0617 4.7657 4.7657 4.9935 4.9935 5.8177 5.8177 6.4391 6.4391 9.0563 9.0563 9.5447 9.5447 9.8380 9.8380 11.2614 11.2614 12.1147 12.1147 18.5680 18.5680 21.7271 21.7271 k = 0.6084 0.1945-0.5078 ( 2509 PWs) bands (ev): -82.1216 -82.1216 -47.8094 -47.8094 -46.1297 -46.1297 -46.0072 -46.0072 -9.4048 -9.4048 -9.2040 -9.2040 1.9771 1.9771 4.1023 4.1023 4.7515 4.7515 5.0198 5.0198 5.7934 5.7934 6.4594 6.4594 9.0632 9.0632 9.5535 9.5535 9.8589 9.8589 11.2513 11.2513 12.1063 12.1063 18.5434 18.5434 21.7066 21.7066 k = 0.6059 0.1936-0.4933 ( 2509 PWs) bands (ev): -82.1218 -82.1218 -47.8087 -47.8087 -46.1285 -46.1285 -46.0072 -46.0072 -9.4078 -9.4078 -9.2366 -9.2366 1.9935 1.9935 4.1416 4.1416 4.7368 4.7368 5.0459 5.0459 5.7716 5.7716 6.4809 6.4809 9.0697 9.0697 9.5614 9.5614 9.8802 9.8802 11.2423 11.2423 12.0983 12.0983 18.5191 18.5191 21.6797 21.6797 k = 0.6033 0.1928-0.4789 ( 2507 PWs) bands (ev): -82.1219 -82.1219 -47.8080 -47.8080 -46.1273 -46.1273 -46.0070 -46.0070 -9.4119 -9.4119 -9.2686 -9.2686 2.0107 2.0107 4.1790 4.1790 4.7217 4.7217 5.0719 5.0719 5.7525 5.7525 6.5035 6.5035 9.0762 9.0762 9.5677 9.5677 9.9031 9.9031 11.2347 11.2347 12.0908 12.0908 18.4950 18.4950 21.6471 21.6471 k = 0.6007 0.1920-0.4645 ( 2505 PWs) bands (ev): -82.1220 -82.1220 -47.8073 -47.8073 -46.1260 -46.1260 -46.0070 -46.0070 -9.4176 -9.4176 -9.2994 -9.2994 2.0288 2.0288 4.2134 4.2134 4.7062 4.7062 5.0983 5.0983 5.7364 5.7364 6.5274 6.5274 9.0824 9.0824 9.5736 9.5736 9.9251 9.9251 11.2290 11.2290 12.0842 12.0842 18.4709 18.4709 21.6095 21.6095 k = 0.5981 0.1912-0.4500 ( 2503 PWs) bands (ev): -82.1221 -82.1221 -47.8066 -47.8066 -46.1247 -46.1247 -46.0069 -46.0069 -9.4259 -9.4259 -9.3279 -9.3279 2.0479 2.0479 4.2443 4.2443 4.6903 4.6903 5.1250 5.1250 5.7236 5.7236 6.5526 6.5526 9.0882 9.0882 9.5782 9.5782 9.9472 9.9472 11.2256 11.2256 12.0779 12.0779 18.4466 18.4466 21.5674 21.5674 k = 0.5955 0.1903-0.4356 ( 2503 PWs) bands (ev): -82.1223 -82.1223 -47.8059 -47.8059 -46.1234 -46.1234 -46.0068 -46.0068 -9.4384 -9.4384 -9.3525 -9.3525 2.0679 2.0679 4.2709 4.2709 4.6740 4.6740 5.1522 5.1522 5.7147 5.7147 6.5790 6.5790 9.0936 9.0936 9.5815 9.5815 9.9693 9.9693 11.2231 11.2231 12.0722 12.0722 18.4218 18.4218 21.5212 21.5212 k = 0.5929 0.1895-0.4212 ( 2503 PWs) bands (ev): -82.1225 -82.1225 -47.8052 -47.8052 -46.1221 -46.1221 -46.0067 -46.0067 -9.4568 -9.4568 -9.3714 -9.3714 2.0890 2.0890 4.2926 4.2926 4.6574 4.6574 5.1793 5.1793 5.7104 5.7104 6.6065 6.6065 9.0987 9.0987 9.5830 9.5830 9.9914 9.9914 11.2234 11.2234 12.0670 12.0670 18.3966 18.3966 21.4713 21.4713 k = 0.5904 0.1887-0.4067 ( 2504 PWs) bands (ev): -82.1227 -82.1227 -47.8045 -47.8045 -46.1208 -46.1208 -46.0067 -46.0067 -9.4809 -9.4809 -9.3846 -9.3846 2.1112 2.1112 4.3093 4.3093 4.6407 4.6407 5.2055 5.2055 5.7118 5.7118 6.6352 6.6352 9.1031 9.1031 9.5832 9.5832 10.0129 10.0129 11.2253 11.2253 12.0629 12.0629 18.3707 18.3707 21.4175 21.4175 k = 0.5878 0.1879-0.3923 ( 2506 PWs) bands (ev): -82.1230 -82.1230 -47.8038 -47.8038 -46.1195 -46.1195 -46.0066 -46.0066 -9.5090 -9.5090 -9.3939 -9.3939 2.1345 2.1345 4.3207 4.3207 4.6235 4.6235 5.2293 5.2293 5.7202 5.7202 6.6652 6.6652 9.1074 9.1074 9.5818 9.5818 10.0341 10.0341 11.2295 11.2295 12.0591 12.0591 18.3439 18.3439 21.3595 21.3595 k = 0.5852 0.1870-0.3778 ( 2502 PWs) bands (ev): -82.1230 -82.1230 -47.8030 -47.8030 -46.1181 -46.1181 -46.0065 -46.0065 -9.5392 -9.5392 -9.4009 -9.4009 2.1590 2.1590 4.3271 4.3271 4.6066 4.6066 5.2491 5.2491 5.7371 5.7371 6.6964 6.6964 9.1117 9.1117 9.5793 9.5793 10.0546 10.0546 11.2368 11.2368 12.0575 12.0575 18.3161 18.3161 21.2960 21.2960 k = 0.5826 0.1862-0.3634 ( 2502 PWs) bands (ev): -82.1232 -82.1232 -47.8023 -47.8023 -46.1168 -46.1168 -46.0064 -46.0064 -9.5705 -9.5705 -9.4068 -9.4068 2.1846 2.1846 4.3288 4.3288 4.5893 4.5893 5.2632 5.2632 5.7635 5.7635 6.7288 6.7288 9.1157 9.1157 9.5747 9.5747 10.0736 10.0736 11.2463 11.2463 12.0561 12.0561 18.2872 18.2872 21.2249 21.2249 k = 0.5800 0.1854-0.3490 ( 2506 PWs) bands (ev): -82.1236 -82.1236 -47.8017 -47.8017 -46.1155 -46.1155 -46.0063 -46.0063 -9.6022 -9.6022 -9.4119 -9.4119 2.2115 2.2115 4.3261 4.3261 4.5718 4.5718 5.2706 5.2706 5.8000 5.8000 6.7621 6.7621 9.1187 9.1187 9.5677 9.5677 10.0918 10.0918 11.2586 11.2586 12.0549 12.0549 18.2571 18.2571 21.1459 21.1459 k = 0.5775 0.1846-0.3345 ( 2508 PWs) bands (ev): -82.1239 -82.1239 -47.8010 -47.8010 -46.1142 -46.1142 -46.0062 -46.0062 -9.6340 -9.6340 -9.4167 -9.4167 2.2397 2.2397 4.3195 4.3195 4.5545 4.5545 5.2710 5.2710 5.8463 5.8463 6.7965 6.7965 9.1209 9.1209 9.5584 9.5584 10.1095 10.1095 11.2741 11.2741 12.0554 12.0554 18.2257 18.2257 21.0619 21.0619 k = 0.5749 0.1837-0.3201 ( 2506 PWs) bands (ev): -82.1240 -82.1240 -47.8002 -47.8002 -46.1128 -46.1128 -46.0061 -46.0061 -9.6656 -9.6656 -9.4212 -9.4212 2.2691 2.2691 4.3098 4.3098 4.5373 4.5373 5.2648 5.2648 5.9013 5.9013 6.8320 6.8320 9.1231 9.1231 9.5477 9.5477 10.1262 10.1262 11.2930 11.2930 12.0573 12.0573 18.1929 18.1929 20.9757 20.9757 k = 0.5723 0.1829-0.3057 ( 2508 PWs) bands (ev): -82.1243 -82.1243 -47.7996 -47.7996 -46.1116 -46.1116 -46.0060 -46.0060 -9.6968 -9.6968 -9.4255 -9.4255 2.2999 2.2999 4.2973 4.2973 4.5200 4.5200 5.2526 5.2526 5.9638 5.9638 6.8685 6.8685 9.1239 9.1239 9.5350 9.5350 10.1412 10.1412 11.3147 11.3147 12.0595 12.0595 18.1586 18.1586 20.8885 20.8885 k = 0.5697 0.1821-0.2912 ( 2510 PWs) bands (ev): -82.1246 -82.1246 -47.7989 -47.7989 -46.1103 -46.1103 -46.0059 -46.0059 -9.7276 -9.7276 -9.4298 -9.4298 2.3319 2.3319 4.2825 4.2825 4.5029 4.5029 5.2353 5.2353 6.0325 6.0325 6.9059 6.9059 9.1240 9.1240 9.5202 9.5202 10.1552 10.1552 11.3393 11.3393 12.0627 12.0627 18.1228 18.1228 20.8011 20.8011 k = 0.5671 0.1813-0.2768 ( 2511 PWs) bands (ev): -82.1248 -82.1248 -47.7982 -47.7982 -46.1090 -46.1090 -46.0058 -46.0058 -9.7579 -9.7579 -9.4340 -9.4340 2.3652 2.3652 4.2660 4.2660 4.4861 4.4861 5.2135 5.2135 6.1060 6.1060 6.9443 6.9443 9.1235 9.1235 9.5037 9.5037 10.1675 10.1675 11.3670 11.3670 12.0670 12.0670 18.0854 18.0854 20.7141 20.7141 k = 0.5645 0.1804-0.2624 ( 2511 PWs) bands (ev): -82.1249 -82.1249 -47.7975 -47.7975 -46.1078 -46.1078 -46.0057 -46.0057 -9.7875 -9.7875 -9.4381 -9.4381 2.3998 2.3998 4.2480 4.2480 4.4694 4.4694 5.1878 5.1878 6.1836 6.1836 6.9834 6.9834 9.1223 9.1223 9.4853 9.4853 10.1784 10.1784 11.3981 11.3981 12.0717 12.0717 18.0465 18.0465 20.6278 20.6278 k = 0.5620 0.1796-0.2479 ( 2511 PWs) bands (ev): -82.1251 -82.1251 -47.7968 -47.7968 -46.1065 -46.1065 -46.0056 -46.0056 -9.8165 -9.8165 -9.4422 -9.4422 2.4357 2.4357 4.2291 4.2291 4.4531 4.4531 5.1586 5.1586 6.2642 6.2642 7.0234 7.0234 9.1202 9.1202 9.4650 9.4650 10.1880 10.1880 11.4314 11.4314 12.0776 12.0776 18.0060 18.0060 20.5425 20.5425 k = 0.5594 0.1788-0.2335 ( 2509 PWs) bands (ev): -82.1252 -82.1252 -47.7962 -47.7962 -46.1053 -46.1053 -46.0055 -46.0055 -9.8446 -9.8446 -9.4462 -9.4462 2.4728 2.4728 4.2095 4.2095 4.4372 4.4372 5.1265 5.1265 6.3472 6.3472 7.0640 7.0640 9.1173 9.1173 9.4430 9.4430 10.1962 10.1962 11.4673 11.4673 12.0849 12.0849 17.9640 17.9640 20.4586 20.4586 k = 0.5568 0.1780-0.2190 ( 2512 PWs) bands (ev): -82.1255 -82.1255 -47.7956 -47.7956 -46.1041 -46.1041 -46.0054 -46.0054 -9.8720 -9.8720 -9.4501 -9.4501 2.5110 2.5110 4.1893 4.1893 4.4215 4.4215 5.0915 5.0915 6.4318 6.4318 7.1053 7.1053 9.1131 9.1131 9.4191 9.4191 10.2027 10.2027 11.5047 11.5047 12.0919 12.0919 17.9206 17.9206 20.3762 20.3762 k = 0.5542 0.1771-0.2046 ( 2512 PWs) bands (ev): -82.1256 -82.1256 -47.7949 -47.7949 -46.1030 -46.1030 -46.0053 -46.0053 -9.8984 -9.8984 -9.4540 -9.4540 2.5504 2.5504 4.1691 4.1691 4.4063 4.4063 5.0542 5.0542 6.5178 6.5178 7.1472 7.1472 9.1081 9.1081 9.3937 9.3937 10.2079 10.2079 11.5447 11.5447 12.0998 12.0998 17.8759 17.8759 20.2956 20.2956 k = 0.5516 0.1763-0.1902 ( 2512 PWs) bands (ev): -82.1258 -82.1258 -47.7943 -47.7943 -46.1019 -46.1019 -46.0052 -46.0052 -9.9240 -9.9240 -9.4577 -9.4577 2.5909 2.5909 4.1488 4.1488 4.3913 4.3913 5.0146 5.0146 6.6044 6.6044 7.1896 7.1896 9.1029 9.1029 9.3667 9.3667 10.2121 10.2121 11.5865 11.5865 12.1070 12.1070 17.8300 17.8300 20.2170 20.2170 k = 0.5491 0.1755-0.1757 ( 2508 PWs) bands (ev): -82.1257 -82.1257 -47.7937 -47.7937 -46.1008 -46.1008 -46.0051 -46.0051 -9.9485 -9.9485 -9.4614 -9.4614 2.6324 2.6324 4.1287 4.1287 4.3772 4.3772 4.9731 4.9731 6.6915 6.6915 7.2324 7.2324 9.0960 9.0960 9.3389 9.3389 10.2149 10.2149 11.6298 11.6298 12.1166 12.1166 17.7832 17.7832 20.1407 20.1407 k = 0.5465 0.1747-0.1613 ( 2510 PWs) bands (ev): -82.1259 -82.1259 -47.7932 -47.7932 -46.0998 -46.0998 -46.0050 -46.0050 -9.9721 -9.9721 -9.4650 -9.4650 2.6748 2.6748 4.1091 4.1091 4.3632 4.3632 4.9297 4.9297 6.7784 6.7784 7.2754 7.2754 9.0875 9.0875 9.3091 9.3091 10.2167 10.2167 11.6734 11.6734 12.1249 12.1249 17.7355 17.7355 20.0669 20.0669 k = 0.5439 0.1738-0.1469 ( 2519 PWs) bands (ev): -82.1265 -82.1265 -47.7927 -47.7927 -46.0989 -46.0989 -46.0049 -46.0049 -9.9946 -9.9946 -9.4684 -9.4684 2.7181 2.7181 4.0898 4.0898 4.3497 4.3497 4.8847 4.8847 6.8649 6.8649 7.3185 7.3185 9.0773 9.0773 9.2773 9.2773 10.2161 10.2161 11.7176 11.7176 12.1334 12.1334 17.6873 17.6873 19.9957 19.9957 k = 0.5413 0.1730-0.1324 ( 2517 PWs) bands (ev): -82.1265 -82.1265 -47.7922 -47.7922 -46.0979 -46.0979 -46.0048 -46.0048 -10.0160 -10.0160 -9.4717 -9.4717 2.7622 2.7622 4.0712 4.0712 4.3370 4.3370 4.8386 4.8386 6.9507 6.9507 7.3618 7.3618 9.0669 9.0669 9.2456 9.2456 10.2157 10.2157 11.7631 11.7631 12.1427 12.1427 17.6389 17.6389 19.9274 19.9274 k = 0.5387 0.1722-0.1180 ( 2517 PWs) bands (ev): -82.1266 -82.1266 -47.7917 -47.7917 -46.0970 -46.0970 -46.0047 -46.0047 -10.0363 -10.0363 -9.4749 -9.4749 2.8070 2.8070 4.0532 4.0532 4.3250 4.3250 4.7914 4.7914 7.0353 7.0353 7.4051 7.4051 9.0550 9.0550 9.2129 9.2129 10.2144 10.2144 11.8084 11.8084 12.1520 12.1520 17.5906 17.5906 19.8622 19.8622 k = 0.5361 0.1714-0.1036 ( 2513 PWs) bands (ev): -82.1266 -82.1266 -47.7912 -47.7912 -46.0961 -46.0961 -46.0046 -46.0046 -10.0554 -10.0554 -9.4779 -9.4779 2.8523 2.8523 4.0361 4.0361 4.3135 4.3135 4.7435 4.7435 7.1185 7.1185 7.4480 7.4480 9.0422 9.0422 9.1797 9.1797 10.2127 10.2127 11.8546 11.8546 12.1609 12.1609 17.5427 17.5427 19.8003 19.8003 k = 0.5336 0.1705-0.0891 ( 2517 PWs) bands (ev): -82.1269 -82.1269 -47.7908 -47.7908 -46.0954 -46.0954 -46.0045 -46.0045 -10.0734 -10.0734 -9.4808 -9.4808 2.8978 2.8978 4.0199 4.0199 4.3027 4.3027 4.6948 4.6948 7.1996 7.1996 7.4906 7.4906 9.0274 9.0274 9.1458 9.1458 10.2096 10.2096 11.8979 11.8979 12.1697 12.1697 17.4956 17.4956 19.7418 19.7418 k = 0.5310 0.1697-0.0747 ( 2517 PWs) bands (ev): -82.1270 -82.1270 -47.7904 -47.7904 -46.0946 -46.0946 -46.0044 -46.0044 -10.0901 -10.0901 -9.4835 -9.4835 2.9434 2.9434 4.0046 4.0046 4.2927 4.2927 4.6459 4.6459 7.2785 7.2785 7.5326 7.5326 9.0118 9.0118 9.1125 9.1125 10.2065 10.2065 11.9399 11.9399 12.1786 12.1786 17.4496 17.4496 19.6869 19.6869 k = 0.5284 0.1689-0.0602 ( 2519 PWs) bands (ev): -82.1272 -82.1272 -47.7900 -47.7900 -46.0939 -46.0939 -46.0044 -46.0044 -10.1056 -10.1056 -9.4860 -9.4860 2.9889 2.9889 3.9903 3.9903 4.2833 4.2833 4.5971 4.5971 7.3547 7.3547 7.5737 7.5737 8.9949 8.9949 9.0787 9.0787 10.2029 10.2029 11.9809 11.9809 12.1869 12.1869 17.4052 17.4052 19.6358 19.6358 k = 0.5258 0.1681-0.0458 ( 2519 PWs) bands (ev): -82.1273 -82.1273 -47.7897 -47.7897 -46.0933 -46.0933 -46.0043 -46.0043 -10.1198 -10.1198 -9.4883 -9.4883 3.0340 3.0340 3.9772 3.9772 4.2747 4.2747 4.5487 4.5487 7.4278 7.4278 7.6137 7.6137 8.9778 8.9778 9.0454 9.0454 10.1988 10.1988 12.0200 12.0200 12.1952 12.1952 17.3628 17.3628 19.5886 19.5886 k = 0.5232 0.1672-0.0314 ( 2515 PWs) bands (ev): -82.1272 -82.1272 -47.7893 -47.7893 -46.0927 -46.0927 -46.0042 -46.0042 -10.1327 -10.1327 -9.4904 -9.4904 3.0783 3.0783 3.9651 3.9651 4.2670 4.2670 4.5014 4.5014 7.4972 7.4972 7.6524 7.6524 8.9596 8.9596 9.0134 9.0134 10.1953 10.1953 12.0570 12.0570 12.2037 12.2037 17.3229 17.3229 19.5456 19.5456 k = 0.5207 0.1664-0.0169 ( 2521 PWs) bands (ev): -82.1275 -82.1275 -47.7891 -47.7891 -46.0922 -46.0922 -46.0042 -46.0042 -10.1443 -10.1443 -9.4924 -9.4924 3.1213 3.1213 3.9541 3.9541 4.2598 4.2598 4.4552 4.4552 7.5623 7.5623 7.6891 7.6891 8.9404 8.9404 8.9812 8.9812 10.1914 10.1914 12.0900 12.0900 12.2105 12.2105 17.2857 17.2857 19.5066 19.5066 k = 0.5181 0.1656-0.0025 ( 2523 PWs) bands (ev): -82.1277 -82.1277 -47.7889 -47.7889 -46.0918 -46.0918 -46.0041 -46.0041 -10.1546 -10.1546 -9.4941 -9.4941 3.1626 3.1626 3.9444 3.9444 4.2535 4.2535 4.4112 4.4112 7.6225 7.6225 7.7239 7.7239 8.9211 8.9211 8.9515 8.9515 10.1877 10.1877 12.1199 12.1199 12.2176 12.2176 17.2518 17.2518 19.4719 19.4719 k = 0.5155 0.1648 0.0119 ( 2525 PWs) bands (ev): -82.1278 -82.1278 -47.7887 -47.7887 -46.0914 -46.0914 -46.0041 -46.0041 -10.1636 -10.1636 -9.4956 -9.4956 3.2014 3.2014 3.9360 3.9360 4.2480 4.2480 4.3698 4.3698 7.6768 7.6768 7.7562 7.7562 8.9018 8.9018 8.9242 8.9242 10.1843 10.1843 12.1460 12.1460 12.2247 12.2247 17.2215 17.2215 19.4416 19.4416 k = 0.5129 0.1639 0.0264 ( 2531 PWs) bands (ev): -82.1281 -82.1281 -47.7886 -47.7886 -46.0911 -46.0911 -46.0042 -46.0042 -10.1712 -10.1712 -9.4969 -9.4969 3.2369 3.2369 3.9287 3.9287 4.2430 4.2430 4.3323 4.3323 7.7243 7.7243 7.7857 7.7857 8.8829 8.8829 8.8993 8.8993 10.1805 10.1805 12.1680 12.1680 12.2310 12.2310 17.1952 17.1952 19.4156 19.4156 k = 0.5103 0.1631 0.0408 ( 2534 PWs) bands (ev): -82.1283 -82.1283 -47.7885 -47.7885 -46.0908 -46.0908 -46.0042 -46.0042 -10.1774 -10.1774 -9.4979 -9.4979 3.2682 3.2682 3.9227 3.9227 4.2388 4.2388 4.2996 4.2996 7.7639 7.7639 7.8121 7.8121 8.8657 8.8657 8.8781 8.8781 10.1780 10.1780 12.1855 12.1855 12.2372 12.2372 17.1732 17.1732 19.3944 19.3944 k = 0.5077 0.1623 0.0552 ( 2524 PWs) bands (ev): -82.1279 -82.1279 -47.7882 -47.7882 -46.0905 -46.0905 -46.0040 -46.0040 -10.1823 -10.1823 -9.4987 -9.4987 3.2943 3.2943 3.9183 3.9183 4.2353 4.2353 4.2729 4.2729 7.7945 7.7945 7.8350 7.8350 8.8521 8.8521 8.8628 8.8628 10.1773 10.1773 12.1987 12.1987 12.2444 12.2444 17.1559 17.1559 19.3780 19.3780 k = 0.5052 0.1615 0.0697 ( 2526 PWs) bands (ev): -82.1280 -82.1280 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.1858 -10.1858 -9.4993 -9.4993 3.3139 3.3139 3.9149 3.9149 4.2316 4.2316 4.2537 4.2537 7.8157 7.8157 7.8532 7.8532 8.8402 8.8402 8.8513 8.8513 10.1753 10.1753 12.2063 12.2063 12.2498 12.2498 17.1433 17.1433 19.3661 19.3661 k = 0.5026 0.1606 0.0841 ( 2528 PWs) bands (ev): -82.1281 -82.1281 -47.7881 -47.7881 -46.0903 -46.0903 -46.0041 -46.0041 -10.1878 -10.1878 -9.4997 -9.4997 3.3261 3.3261 3.9129 3.9129 4.2273 4.2273 4.2437 4.2437 7.8281 7.8281 7.8652 7.8652 8.8327 8.8327 8.8442 8.8442 10.1742 10.1742 12.2104 12.2104 12.2533 12.2533 17.1356 17.1356 19.3590 19.3590 k = 0.5000 0.1598 0.0986 ( 2532 PWs) bands (ev): -82.1283 -82.1283 -47.7882 -47.7882 -46.0903 -46.0903 -46.0041 -46.0041 -10.1885 -10.1885 -9.4998 -9.4998 3.3303 3.3303 3.9122 3.9122 4.2250 4.2250 4.2410 4.2410 7.8321 7.8321 7.8693 7.8693 8.8300 8.8300 8.8417 8.8417 10.1733 10.1733 12.2110 12.2110 12.2539 12.2539 17.1331 17.1331 19.3566 19.3566 k = 0.5000-0.7023-0.4331 ( 2526 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1449 -46.1449 -46.0079 -46.0079 -9.4874 -9.4874 -8.6263 -8.6263 2.0866 2.0866 2.6023 2.6023 4.8237 4.8237 5.5867 5.5867 5.6101 5.6101 6.4142 6.4142 9.0125 9.0125 9.3814 9.3814 9.7206 9.7206 11.9511 11.9511 12.0983 12.0983 18.8547 18.8547 20.0331 20.0331 k = 0.5124-0.6959-0.4292 ( 2527 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1449 -46.1449 -46.0080 -46.0080 -9.4873 -9.4873 -8.6266 -8.6266 2.0843 2.0843 2.6060 2.6060 4.8239 4.8239 5.5526 5.5526 5.6434 5.6434 6.4138 6.4138 9.0123 9.0123 9.3814 9.3814 9.7201 9.7201 11.9497 11.9497 12.0986 12.0986 18.8546 18.8546 20.0354 20.0354 k = 0.5248-0.6895-0.4252 ( 2526 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1449 -46.1449 -46.0080 -46.0080 -9.4868 -9.4868 -8.6273 -8.6273 2.0775 2.0775 2.6171 2.6171 4.8247 4.8247 5.5083 5.5083 5.6853 5.6853 6.4127 6.4127 9.0115 9.0115 9.3815 9.3815 9.7194 9.7194 11.9464 11.9464 12.1002 12.1002 18.8545 18.8545 20.0422 20.0422 k = 0.5372-0.6831-0.4213 ( 2524 PWs) bands (ev): -82.1200 -82.1200 -47.8177 -47.8177 -46.1448 -46.1448 -46.0080 -46.0080 -9.4861 -9.4861 -8.6285 -8.6285 2.0668 2.0668 2.6350 2.6350 4.8258 4.8258 5.4629 5.4629 5.7269 5.7269 6.4108 6.4108 9.0102 9.0102 9.3820 9.3820 9.7191 9.7191 11.9409 11.9409 12.1020 12.1020 18.8544 18.8544 20.0535 20.0535 k = 0.5496-0.6767-0.4173 ( 2526 PWs) bands (ev): -82.1201 -82.1201 -47.8177 -47.8177 -46.1448 -46.1448 -46.0080 -46.0080 -9.4851 -9.4851 -8.6302 -8.6302 2.0530 2.0530 2.6587 2.6587 4.8273 4.8273 5.4167 5.4167 5.7676 5.7676 6.4082 6.4082 9.0089 9.0089 9.3818 9.3818 9.7173 9.7173 11.9323 11.9323 12.1045 12.1045 18.8544 18.8544 20.0691 20.0691 k = 0.5620-0.6703-0.4134 ( 2524 PWs) bands (ev): -82.1200 -82.1200 -47.8177 -47.8177 -46.1448 -46.1448 -46.0080 -46.0080 -9.4838 -9.4838 -8.6323 -8.6323 2.0370 2.0370 2.6875 2.6875 4.8291 4.8291 5.3699 5.3699 5.8075 5.8075 6.4048 6.4048 9.0079 9.0079 9.3827 9.3827 9.7155 9.7155 11.9216 11.9216 12.1074 12.1074 18.8548 18.8548 20.0886 20.0886 k = 0.5744-0.6639-0.4094 ( 2525 PWs) bands (ev): -82.1200 -82.1200 -47.8177 -47.8177 -46.1448 -46.1448 -46.0080 -46.0080 -9.4822 -9.4822 -8.6348 -8.6348 2.0194 2.0194 2.7205 2.7205 4.8312 4.8312 5.3225 5.3225 5.8465 5.8465 6.4007 6.4007 9.0061 9.0061 9.3832 9.3832 9.7131 9.7131 11.9087 11.9087 12.1103 12.1103 18.8558 18.8558 20.1119 20.1119 k = 0.5868-0.6575-0.4055 ( 2525 PWs) bands (ev): -82.1200 -82.1200 -47.8177 -47.8177 -46.1447 -46.1447 -46.0080 -46.0080 -9.4804 -9.4804 -8.6378 -8.6378 2.0009 2.0009 2.7571 2.7571 4.8339 4.8339 5.2747 5.2747 5.8845 5.8845 6.3960 6.3960 9.0045 9.0045 9.3840 9.3840 9.7101 9.7101 11.8931 11.8931 12.1144 12.1144 18.8576 18.8576 20.1386 20.1386 k = 0.5991-0.6511-0.4016 ( 2520 PWs) bands (ev): -82.1198 -82.1198 -47.8176 -47.8176 -46.1447 -46.1447 -46.0080 -46.0080 -9.4784 -9.4784 -8.6411 -8.6411 1.9821 1.9821 2.7965 2.7965 4.8371 4.8371 5.2266 5.2266 5.9216 5.9216 6.3906 6.3906 9.0027 9.0027 9.3844 9.3844 9.7078 9.7078 11.8769 11.8769 12.1198 12.1198 18.8604 18.8604 20.1683 20.1683 k = 0.6115-0.6447-0.3976 ( 2518 PWs) bands (ev): -82.1197 -82.1197 -47.8175 -47.8175 -46.1446 -46.1446 -46.0079 -46.0079 -9.4763 -9.4763 -8.6447 -8.6447 1.9632 1.9632 2.8384 2.8384 4.8405 4.8405 5.1782 5.1782 5.9579 5.9579 6.3845 6.3845 9.0001 9.0001 9.3846 9.3846 9.7046 9.7046 11.8583 11.8583 12.1255 12.1255 18.8646 18.8646 20.2008 20.2008 k = 0.6239-0.6383-0.3937 ( 2520 PWs) bands (ev): -82.1198 -82.1198 -47.8176 -47.8176 -46.1446 -46.1446 -46.0080 -46.0080 -9.4739 -9.4739 -8.6486 -8.6486 1.9446 1.9446 2.8823 2.8823 4.8442 4.8442 5.1295 5.1295 5.9930 5.9930 6.3778 6.3778 8.9966 8.9966 9.3845 9.3845 9.7006 9.7006 11.8375 11.8375 12.1314 12.1314 18.8702 18.8702 20.2355 20.2355 k = 0.6363-0.6319-0.3897 ( 2518 PWs) bands (ev): -82.1197 -82.1197 -47.8175 -47.8175 -46.1446 -46.1446 -46.0080 -46.0080 -9.4715 -9.4715 -8.6528 -8.6528 1.9265 1.9265 2.9278 2.9278 4.8483 4.8483 5.0808 5.0808 6.0272 6.0272 6.3706 6.3706 8.9933 8.9933 9.3853 9.3853 9.6970 9.6970 11.8151 11.8151 12.1377 12.1377 18.8776 18.8776 20.2724 20.2724 k = 0.6487-0.6256-0.3858 ( 2519 PWs) bands (ev): -82.1198 -82.1198 -47.8175 -47.8175 -46.1445 -46.1445 -46.0080 -46.0080 -9.4690 -9.4690 -8.6571 -8.6571 1.9091 1.9091 2.9747 2.9747 4.8525 4.8525 5.0322 5.0322 6.0605 6.0605 6.3629 6.3629 8.9891 8.9891 9.3854 9.3854 9.6928 9.6928 11.7917 11.7917 12.1440 12.1440 18.8867 18.8867 20.3109 20.3109 k = 0.6611-0.6192-0.3818 ( 2519 PWs) bands (ev): -82.1198 -82.1198 -47.8175 -47.8175 -46.1445 -46.1445 -46.0080 -46.0080 -9.4665 -9.4665 -8.6615 -8.6615 1.8925 1.8925 3.0226 3.0226 4.8572 4.8572 4.9837 4.9837 6.0928 6.0928 6.3546 6.3546 8.9842 8.9842 9.3857 9.3857 9.6888 9.6888 11.7668 11.7668 12.1511 12.1511 18.8978 18.8978 20.3509 20.3509 k = 0.6735-0.6128-0.3779 ( 2517 PWs) bands (ev): -82.1197 -82.1197 -47.8175 -47.8175 -46.1445 -46.1445 -46.0080 -46.0080 -9.4639 -9.4639 -8.6660 -8.6660 1.8767 1.8767 3.0714 3.0714 4.8622 4.8622 4.9354 4.9354 6.1239 6.1239 6.3460 6.3460 8.9795 8.9795 9.3861 9.3861 9.6853 9.6853 11.7395 11.7395 12.1593 12.1593 18.9110 18.9110 20.3920 20.3920 k = 0.6859-0.6064-0.3740 ( 2513 PWs) bands (ev): -82.1195 -82.1195 -47.8174 -47.8174 -46.1444 -46.1444 -46.0079 -46.0079 -9.4615 -9.4615 -8.6705 -8.6705 1.8619 1.8619 3.1207 3.1207 4.8667 4.8667 4.8883 4.8883 6.1542 6.1542 6.3370 6.3370 8.9744 8.9744 9.3867 9.3867 9.6818 9.6818 11.7124 11.7124 12.1675 12.1675 18.9263 18.9263 20.4339 20.4339 k = 0.6983-0.6000-0.3700 ( 2510 PWs) bands (ev): -82.1194 -82.1194 -47.8173 -47.8173 -46.1444 -46.1444 -46.0078 -46.0078 -9.4592 -9.4592 -8.6749 -8.6749 1.8480 1.8480 3.1703 3.1703 4.8387 4.8387 4.8744 4.8744 6.1834 6.1834 6.3279 6.3279 8.9687 8.9687 9.3870 9.3870 9.6778 9.6778 11.6845 11.6845 12.1762 12.1762 18.9438 18.9438 20.4763 20.4763 k = 0.7107-0.5936-0.3661 ( 2508 PWs) bands (ev): -82.1193 -82.1193 -47.8173 -47.8173 -46.1443 -46.1443 -46.0078 -46.0078 -9.4570 -9.4570 -8.6792 -8.6792 1.8350 1.8350 3.2200 3.2200 4.7920 4.7920 4.8799 4.8799 6.2114 6.2114 6.3187 6.3187 8.9622 8.9622 9.3878 9.3878 9.6731 9.6731 11.6563 11.6563 12.1850 12.1850 18.9634 18.9634 20.5190 20.5190 k = 0.7231-0.5872-0.3621 ( 2508 PWs) bands (ev): -82.1193 -82.1193 -47.8173 -47.8173 -46.1443 -46.1443 -46.0078 -46.0078 -9.4551 -9.4551 -8.6832 -8.6832 1.8229 1.8229 3.2695 3.2695 4.7458 4.7458 4.8858 4.8858 6.2378 6.2378 6.3101 6.3101 8.9546 8.9546 9.3881 9.3881 9.6690 9.6690 11.6275 11.6275 12.1934 12.1934 18.9851 18.9851 20.5618 20.5618 k = 0.7355-0.5808-0.3582 ( 2510 PWs) bands (ev): -82.1194 -82.1194 -47.8173 -47.8173 -46.1443 -46.1443 -46.0078 -46.0078 -9.4535 -9.4535 -8.6870 -8.6870 1.8117 1.8117 3.3186 3.3186 4.7003 4.7003 4.8919 4.8919 6.2604 6.2604 6.3042 6.3042 8.9464 8.9464 9.3884 9.3884 9.6652 9.6652 11.5977 11.5977 12.2018 12.2018 19.0089 19.0089 20.6042 20.6042 k = 0.7479-0.5744-0.3542 ( 2512 PWs) bands (ev): -82.1195 -82.1195 -47.8173 -47.8173 -46.1442 -46.1442 -46.0079 -46.0079 -9.4522 -9.4522 -8.6904 -8.6904 1.8014 1.8014 3.3671 3.3671 4.6557 4.6557 4.8982 4.8982 6.2712 6.2712 6.3091 6.3091 8.9376 8.9376 9.3887 9.3887 9.6614 9.6614 11.5681 11.5681 12.2102 12.2102 19.0347 19.0347 20.6460 20.6460 k = 0.7603-0.5680-0.3503 ( 2516 PWs) bands (ev): -82.1197 -82.1197 -47.8173 -47.8173 -46.1442 -46.1442 -46.0079 -46.0079 -9.4514 -9.4514 -8.6933 -8.6933 1.7919 1.7919 3.4147 3.4147 4.6121 4.6121 4.9045 4.9045 6.2673 6.2673 6.3279 6.3279 8.9281 8.9281 9.3881 9.3881 9.6579 9.6579 11.5393 11.5393 12.2183 12.2183 19.0624 19.0624 20.6870 20.6870 k = 0.7727-0.5616-0.3464 ( 2510 PWs) bands (ev): -82.1194 -82.1194 -47.8172 -47.8172 -46.1441 -46.1441 -46.0078 -46.0078 -9.4510 -9.4510 -8.6958 -8.6958 1.7833 1.7833 3.4611 3.4611 4.5699 4.5699 4.9111 4.9111 6.2587 6.2587 6.3508 6.3508 8.9182 8.9182 9.3894 9.3894 9.6563 9.6563 11.5124 11.5124 12.2269 12.2269 19.0918 19.0918 20.7266 20.7266 k = 0.7850-0.5552-0.3424 ( 2511 PWs) bands (ev): -82.1195 -82.1195 -47.8172 -47.8172 -46.1441 -46.1441 -46.0079 -46.0079 -9.4511 -9.4511 -8.6976 -8.6976 1.7753 1.7753 3.5061 3.5061 4.5289 4.5289 4.9176 4.9176 6.2489 6.2489 6.3743 6.3743 8.9078 8.9078 9.3900 9.3900 9.6542 9.6542 11.4847 11.4847 12.2345 12.2345 19.1229 19.1229 20.7646 20.7646 k = 0.7974-0.5488-0.3385 ( 2514 PWs) bands (ev): -82.1196 -82.1196 -47.8172 -47.8172 -46.1441 -46.1441 -46.0079 -46.0079 -9.4518 -9.4518 -8.6989 -8.6989 1.7680 1.7680 3.5494 3.5494 4.4894 4.4894 4.9242 4.9242 6.2386 6.2386 6.3977 6.3977 8.8970 8.8970 9.3896 9.3896 9.6520 9.6520 11.4576 11.4576 12.2426 12.2426 19.1554 19.1554 20.8003 20.8003 k = 0.8098-0.5425-0.3345 ( 2514 PWs) bands (ev): -82.1196 -82.1196 -47.8172 -47.8172 -46.1440 -46.1440 -46.0079 -46.0079 -9.4531 -9.4531 -8.6994 -8.6994 1.7613 1.7613 3.5909 3.5909 4.4516 4.4516 4.9308 4.9308 6.2283 6.2283 6.4207 6.4207 8.8861 8.8861 9.3902 9.3902 9.6508 9.6508 11.4312 11.4312 12.2507 12.2507 19.1893 19.1893 20.8332 20.8332 Writing output data file CoHO2.save init_run : 0.16s CPU 0.33s WALL ( 1 calls) electrons : 134.67s CPU 137.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 134.66s CPU 137.34s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 431 calls) cegterg : 123.57s CPU 124.89s WALL ( 559 calls) Called by sum_band: Called by *egterg: h_psi : 91.44s CPU 92.21s WALL ( 9488 calls) s_psi : 1.06s CPU 1.09s WALL ( 9488 calls) g_psi : 0.09s CPU 0.11s WALL ( 8498 calls) cdiaghg : 33.86s CPU 34.38s WALL ( 8929 calls) cegterg:over : 2.56s CPU 2.70s WALL ( 8498 calls) cegterg:upda : 1.85s CPU 1.84s WALL ( 8498 calls) cegterg:last : 1.21s CPU 1.23s WALL ( 1421 calls) cdiaghg:chol : 1.78s CPU 1.74s WALL ( 8929 calls) cdiaghg:inve : 0.62s CPU 0.73s WALL ( 8929 calls) cdiaghg:para : 2.16s CPU 2.14s WALL ( 17858 calls) Called by h_psi: h_psi:vloc : 87.87s CPU 88.85s WALL ( 9488 calls) h_psi:vnl : 3.50s CPU 3.30s WALL ( 9488 calls) add_vuspsi : 1.80s CPU 1.61s WALL ( 9488 calls) General routines calbec : 1.68s CPU 1.66s WALL ( 9488 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 83.19s CPU 84.19s WALL ( 646432 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 862 calls) Parallel routines fft_scatter : 20.42s CPU 21.04s WALL ( 646455 calls) PWSCF : 2m28.12s CPU 3m10.01s WALL This run was terminated on: 17:27:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=