Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:18:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrxFePx2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 45 13 1146 665 108 Max 66 46 14 1148 684 110 Sum 2351 1641 489 41281 24175 3929 bravais-lattice index = 14 lattice parameter (alat) = 12.1038 a.u. unit-cell volume = 573.2399 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.103831 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.821686 celldm(5)= -0.821686 celldm(6)= 0.643372 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.643372 0.765553 0.000000 ) a(3) = ( -0.821686 -0.382777 0.422272 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.840402 1.184071 ) b(2) = ( 0.000000 1.306245 1.184071 ) b(3) = ( 0.000000 0.000000 2.368141 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sr 10.00 87.62000 Sr( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0000000 0.0000000 0.0200690), wk = 0.0027548 k( 3) = ( 0.0000000 0.0000000 0.0401380), wk = 0.0027548 k( 4) = ( 0.0000000 0.0000000 0.0602070), wk = 0.0027548 k( 5) = ( 0.0000000 0.0000000 0.0802760), wk = 0.0027548 k( 6) = ( 0.0000000 0.0000000 0.1003450), wk = 0.0027548 k( 7) = ( 0.0000000 0.0000000 0.1204140), wk = 0.0027548 k( 8) = ( 0.0000000 0.0000000 0.1404829), wk = 0.0027548 k( 9) = ( 0.0000000 0.0000000 0.1605519), wk = 0.0027548 k( 10) = ( 0.0000000 0.0000000 0.1806209), wk = 0.0027548 k( 11) = ( 0.0000000 0.0000000 0.2006899), wk = 0.0027548 k( 12) = ( 0.0000000 0.0000000 0.2207589), wk = 0.0027548 k( 13) = ( 0.0000000 0.0000000 0.2408279), wk = 0.0027548 k( 14) = ( 0.0000000 0.0000000 0.2608969), wk = 0.0027548 k( 15) = ( 0.0000000 0.0000000 0.2809659), wk = 0.0027548 k( 16) = ( 0.0000000 0.0000000 0.3010349), wk = 0.0027548 k( 17) = ( 0.0000000 0.0000000 0.3211039), wk = 0.0027548 k( 18) = ( 0.0000000 0.0000000 0.3411729), wk = 0.0027548 k( 19) = ( 0.0000000 0.0000000 0.3612419), wk = 0.0027548 k( 20) = ( 0.0000000 0.0000000 0.3813109), wk = 0.0027548 k( 21) = ( 0.0000000 0.0000000 0.4013799), wk = 0.0027548 k( 22) = ( 0.0000000 0.0000000 0.4214488), wk = 0.0027548 k( 23) = ( 0.0000000 0.0000000 0.4415178), wk = 0.0027548 k( 24) = ( 0.0000000 0.0000000 0.4615868), wk = 0.0027548 k( 25) = ( 0.0000000 0.0000000 0.4816558), wk = 0.0027548 k( 26) = ( 0.0000000 0.0000000 0.5017248), wk = 0.0027548 k( 27) = ( 0.0000000 0.0000000 0.5217938), wk = 0.0027548 k( 28) = ( 0.0000000 0.0000000 0.5418628), wk = 0.0027548 k( 29) = ( 0.0000000 0.0000000 0.5619318), wk = 0.0027548 k( 30) = ( 0.0000000 0.0000000 0.5820008), wk = 0.0027548 k( 31) = ( 0.0000000 0.0000000 0.6020698), wk = 0.0027548 k( 32) = ( 0.0000000 0.0000000 0.6221388), wk = 0.0027548 k( 33) = ( 0.0000000 0.0000000 0.6422078), wk = 0.0027548 k( 34) = ( 0.0000000 0.0000000 0.6622768), wk = 0.0027548 k( 35) = ( 0.0000000 0.0000000 0.6823457), wk = 0.0027548 k( 36) = ( 0.0000000 0.0000000 0.7024147), wk = 0.0027548 k( 37) = ( 0.0000000 0.0000000 0.7224837), wk = 0.0027548 k( 38) = ( 0.0000000 0.0000000 0.7425527), wk = 0.0027548 k( 39) = ( 0.0000000 0.0000000 0.7626217), wk = 0.0027548 k( 40) = ( 0.0000000 0.0000000 0.7826907), wk = 0.0027548 k( 41) = ( 0.0000000 0.0000000 0.8027597), wk = 0.0027548 k( 42) = ( 0.0000000 0.0000000 0.8228287), wk = 0.0027548 k( 43) = ( 0.0000000 0.0000000 0.8428977), wk = 0.0027548 k( 44) = ( 0.0000000 0.0000000 0.8629667), wk = 0.0027548 k( 45) = ( 0.0000000 0.0000000 0.8830357), wk = 0.0027548 k( 46) = ( 0.0000000 0.0000000 0.9031047), wk = 0.0027548 k( 47) = ( 0.0000000 0.0000000 0.9231737), wk = 0.0027548 k( 48) = ( 0.0000000 0.0000000 0.9432426), wk = 0.0027548 k( 49) = ( 0.0000000 0.0000000 0.9633116), wk = 0.0027548 k( 50) = ( 0.0000000 0.0000000 0.9833806), wk = 0.0027548 k( 51) = ( 0.0000000 0.0000000 1.0034496), wk = 0.0027548 k( 52) = ( 0.0000000 0.0000000 1.0235186), wk = 0.0027548 k( 53) = ( 0.0000000 0.0000000 1.0435876), wk = 0.0027548 k( 54) = ( 0.0000000 0.0000000 1.0636566), wk = 0.0027548 k( 55) = ( 0.0000000 0.0000000 1.0837256), wk = 0.0027548 k( 56) = ( 0.0000000 0.0000000 1.1037946), wk = 0.0027548 k( 57) = ( 0.0000000 0.0000000 1.1238636), wk = 0.0027548 k( 58) = ( 0.0000000 0.0000000 1.1439326), wk = 0.0027548 k( 59) = ( 0.0000000 0.0000000 1.1640016), wk = 0.0027548 k( 60) = ( 0.0000000 0.0000000 1.1840706), wk = 0.0027548 k( 61) = ( 0.0000000 0.0000000 1.1840706), wk = 0.0027548 k( 62) = ( -0.0077503 0.0166372 1.1840706), wk = 0.0027548 k( 63) = ( -0.0155007 0.0332745 1.1840706), wk = 0.0027548 k( 64) = ( -0.0232510 0.0499117 1.1840706), wk = 0.0027548 k( 65) = ( -0.0310014 0.0665490 1.1840706), wk = 0.0027548 k( 66) = ( -0.0387517 0.0831862 1.1840706), wk = 0.0027548 k( 67) = ( -0.0465020 0.0998235 1.1840706), wk = 0.0027548 k( 68) = ( -0.0542524 0.1164607 1.1840706), wk = 0.0027548 k( 69) = ( -0.0542524 0.1164607 1.1840706), wk = 0.0027548 k( 70) = ( -0.0602760 0.1293913 1.1698058), wk = 0.0027548 k( 71) = ( -0.0662996 0.1423219 1.1555410), wk = 0.0027548 k( 72) = ( -0.0723232 0.1552524 1.1412762), wk = 0.0027548 k( 73) = ( -0.0783468 0.1681830 1.1270115), wk = 0.0027548 k( 74) = ( -0.0843705 0.1811136 1.1127467), wk = 0.0027548 k( 75) = ( -0.0903941 0.1940442 1.0984819), wk = 0.0027548 k( 76) = ( -0.0964177 0.2069747 1.0842171), wk = 0.0027548 k( 77) = ( -0.1024413 0.2199053 1.0699524), wk = 0.0027548 k( 78) = ( -0.1084649 0.2328359 1.0556876), wk = 0.0027548 k( 79) = ( -0.1144885 0.2457665 1.0414228), wk = 0.0027548 k( 80) = ( -0.1205122 0.2586970 1.0271581), wk = 0.0027548 k( 81) = ( -0.1265358 0.2716276 1.0128933), wk = 0.0027548 k( 82) = ( -0.1325594 0.2845582 0.9986285), wk = 0.0027548 k( 83) = ( -0.1385830 0.2974888 0.9843637), wk = 0.0027548 k( 84) = ( -0.1446066 0.3104194 0.9700989), wk = 0.0027548 k( 85) = ( -0.1506302 0.3233499 0.9558342), wk = 0.0027548 k( 86) = ( -0.1566539 0.3362805 0.9415694), wk = 0.0027548 k( 87) = ( -0.1626775 0.3492111 0.9273046), wk = 0.0027548 k( 88) = ( -0.1687011 0.3621417 0.9130399), wk = 0.0027548 k( 89) = ( -0.1747247 0.3750722 0.8987751), wk = 0.0027548 k( 90) = ( -0.1807483 0.3880028 0.8845103), wk = 0.0027548 k( 91) = ( -0.1867719 0.4009334 0.8702455), wk = 0.0027548 k( 92) = ( -0.1927956 0.4138640 0.8559808), wk = 0.0027548 k( 93) = ( -0.1988192 0.4267946 0.8417160), wk = 0.0027548 k( 94) = ( -0.2048428 0.4397251 0.8274512), wk = 0.0027548 k( 95) = ( -0.2108664 0.4526557 0.8131864), wk = 0.0027548 k( 96) = ( -0.2168900 0.4655863 0.7989217), wk = 0.0027548 k( 97) = ( -0.2229136 0.4785168 0.7846569), wk = 0.0027548 k( 98) = ( -0.2289373 0.4914474 0.7703921), wk = 0.0027548 k( 99) = ( -0.2349609 0.5043780 0.7561274), wk = 0.0027548 k( 100) = ( -0.2409845 0.5173086 0.7418626), wk = 0.0027548 k( 101) = ( -0.2470081 0.5302392 0.7275978), wk = 0.0027548 k( 102) = ( -0.2530317 0.5431697 0.7133330), wk = 0.0027548 k( 103) = ( -0.2590553 0.5561003 0.6990683), wk = 0.0027548 k( 104) = ( -0.2650790 0.5690309 0.6848035), wk = 0.0027548 k( 105) = ( -0.2711026 0.5819615 0.6705387), wk = 0.0027548 k( 106) = ( -0.2771262 0.5948920 0.6562739), wk = 0.0027548 k( 107) = ( -0.2771262 0.5948920 0.6562739), wk = 0.0027548 k( 108) = ( -0.2711017 0.5819596 0.6420071), wk = 0.0027548 k( 109) = ( -0.2650772 0.5690272 0.6277403), wk = 0.0027548 k( 110) = ( -0.2590527 0.5560947 0.6134734), wk = 0.0027548 k( 111) = ( -0.2530283 0.5431623 0.5992066), wk = 0.0027548 k( 112) = ( -0.2470038 0.5302299 0.5849398), wk = 0.0027548 k( 113) = ( -0.2409793 0.5172974 0.5706730), wk = 0.0027548 k( 114) = ( -0.2349548 0.5043650 0.5564062), wk = 0.0027548 k( 115) = ( -0.2289303 0.4914326 0.5421393), wk = 0.0027548 k( 116) = ( -0.2229058 0.4785001 0.5278725), wk = 0.0027548 k( 117) = ( -0.2168814 0.4655677 0.5136057), wk = 0.0027548 k( 118) = ( -0.2108569 0.4526353 0.4993389), wk = 0.0027548 k( 119) = ( -0.2048324 0.4397028 0.4850720), wk = 0.0027548 k( 120) = ( -0.1988079 0.4267704 0.4708052), wk = 0.0027548 k( 121) = ( -0.1927834 0.4138380 0.4565384), wk = 0.0027548 k( 122) = ( -0.1867590 0.4009055 0.4422716), wk = 0.0027548 k( 123) = ( -0.1807345 0.3879731 0.4280047), wk = 0.0027548 k( 124) = ( -0.1747100 0.3750406 0.4137379), wk = 0.0027548 k( 125) = ( -0.1686855 0.3621082 0.3994711), wk = 0.0027548 k( 126) = ( -0.1626610 0.3491758 0.3852043), wk = 0.0027548 k( 127) = ( -0.1566365 0.3362433 0.3709374), wk = 0.0027548 k( 128) = ( -0.1506121 0.3233109 0.3566706), wk = 0.0027548 k( 129) = ( -0.1445876 0.3103785 0.3424038), wk = 0.0027548 k( 130) = ( -0.1385631 0.2974460 0.3281370), wk = 0.0027548 k( 131) = ( -0.1325386 0.2845136 0.3138701), wk = 0.0027548 k( 132) = ( -0.1265141 0.2715812 0.2996033), wk = 0.0027548 k( 133) = ( -0.1204897 0.2586487 0.2853365), wk = 0.0027548 k( 134) = ( -0.1144652 0.2457163 0.2710697), wk = 0.0027548 k( 135) = ( -0.1084407 0.2327838 0.2568028), wk = 0.0027548 k( 136) = ( -0.1024162 0.2198514 0.2425360), wk = 0.0027548 k( 137) = ( -0.0963917 0.2069190 0.2282692), wk = 0.0027548 k( 138) = ( -0.0903672 0.1939865 0.2140024), wk = 0.0027548 k( 139) = ( -0.0843427 0.1810541 0.1997355), wk = 0.0027548 k( 140) = ( -0.0783183 0.1681217 0.1854687), wk = 0.0027548 k( 141) = ( -0.0722938 0.1551892 0.1712019), wk = 0.0027548 k( 142) = ( -0.0662693 0.1422568 0.1569351), wk = 0.0027548 k( 143) = ( -0.0602448 0.1293243 0.1426682), wk = 0.0027548 k( 144) = ( -0.0542203 0.1163919 0.1284014), wk = 0.0027548 k( 145) = ( -0.0481959 0.1034595 0.1141346), wk = 0.0027548 k( 146) = ( -0.0421714 0.0905271 0.0998678), wk = 0.0027548 k( 147) = ( -0.0361469 0.0775946 0.0856009), wk = 0.0027548 k( 148) = ( -0.0301224 0.0646622 0.0713341), wk = 0.0027548 k( 149) = ( -0.0240979 0.0517297 0.0570673), wk = 0.0027548 k( 150) = ( -0.0180735 0.0387973 0.0428005), wk = 0.0027548 k( 151) = ( -0.0120490 0.0258649 0.0285336), wk = 0.0027548 k( 152) = ( -0.0060245 0.0129324 0.0142668), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 155) = ( 0.0178571 0.0083186 -0.0000000), wk = 0.0027548 k( 156) = ( 0.0357143 0.0166372 0.0000000), wk = 0.0027548 k( 157) = ( 0.0535714 0.0249559 0.0000000), wk = 0.0027548 k( 158) = ( 0.0714286 0.0332745 -0.0000000), wk = 0.0027548 k( 159) = ( 0.0892857 0.0415931 0.0000000), wk = 0.0027548 k( 160) = ( 0.1071429 0.0499117 0.0000000), wk = 0.0027548 k( 161) = ( 0.1250000 0.0582304 0.0000000), wk = 0.0027548 k( 162) = ( 0.1428571 0.0665490 -0.0000000), wk = 0.0027548 k( 163) = ( 0.1607143 0.0748676 0.0000000), wk = 0.0027548 k( 164) = ( 0.1785714 0.0831862 0.0000000), wk = 0.0027548 k( 165) = ( 0.1964286 0.0915048 -0.0000000), wk = 0.0027548 k( 166) = ( 0.2142857 0.0998235 -0.0000000), wk = 0.0027548 k( 167) = ( 0.2321429 0.1081421 -0.0000000), wk = 0.0027548 k( 168) = ( 0.2500000 0.1164607 0.0000000), wk = 0.0027548 k( 169) = ( 0.2678571 0.1247793 0.0000000), wk = 0.0027548 k( 170) = ( 0.2857143 0.1330980 -0.0000000), wk = 0.0027548 k( 171) = ( 0.3035714 0.1414166 0.0000000), wk = 0.0027548 k( 172) = ( 0.3214286 0.1497352 0.0000000), wk = 0.0027548 k( 173) = ( 0.3392857 0.1580538 -0.0000000), wk = 0.0027548 k( 174) = ( 0.3571429 0.1663724 0.0000000), wk = 0.0027548 k( 175) = ( 0.3750000 0.1746911 -0.0000000), wk = 0.0027548 k( 176) = ( 0.3928571 0.1830097 -0.0000000), wk = 0.0027548 k( 177) = ( 0.4107143 0.1913283 0.0000000), wk = 0.0027548 k( 178) = ( 0.4285714 0.1996469 -0.0000000), wk = 0.0027548 k( 179) = ( 0.4464286 0.2079655 -0.0000000), wk = 0.0027548 k( 180) = ( 0.4642857 0.2162842 -0.0000000), wk = 0.0027548 k( 181) = ( 0.4821429 0.2246028 0.0000000), wk = 0.0027548 k( 182) = ( 0.5000000 0.2329214 0.0000000), wk = 0.0027548 k( 183) = ( 0.5000000 0.2329214 0.0000000), wk = 0.0027548 k( 184) = ( 0.4939764 0.2458520 0.0142648), wk = 0.0027548 k( 185) = ( 0.4879528 0.2587826 0.0285295), wk = 0.0027548 k( 186) = ( 0.4819291 0.2717131 0.0427943), wk = 0.0027548 k( 187) = ( 0.4759055 0.2846437 0.0570591), wk = 0.0027548 k( 188) = ( 0.4698819 0.2975743 0.0713239), wk = 0.0027548 k( 189) = ( 0.4638583 0.3105049 0.0855886), wk = 0.0027548 k( 190) = ( 0.4578347 0.3234355 0.0998534), wk = 0.0027548 k( 191) = ( 0.4518111 0.3363660 0.1141182), wk = 0.0027548 k( 192) = ( 0.4457874 0.3492966 0.1283830), wk = 0.0027548 k( 193) = ( 0.4397638 0.3622272 0.1426477), wk = 0.0027548 k( 194) = ( 0.4337402 0.3751578 0.1569125), wk = 0.0027548 k( 195) = ( 0.4277166 0.3880883 0.1711773), wk = 0.0027548 k( 196) = ( 0.4216930 0.4010189 0.1854421), wk = 0.0027548 k( 197) = ( 0.4156694 0.4139495 0.1997068), wk = 0.0027548 k( 198) = ( 0.4096457 0.4268801 0.2139716), wk = 0.0027548 k( 199) = ( 0.4036221 0.4398106 0.2282364), wk = 0.0027548 k( 200) = ( 0.3975985 0.4527412 0.2425012), wk = 0.0027548 k( 201) = ( 0.3915749 0.4656718 0.2567659), wk = 0.0027548 k( 202) = ( 0.3855513 0.4786024 0.2710307), wk = 0.0027548 k( 203) = ( 0.3795277 0.4915330 0.2852955), wk = 0.0027548 k( 204) = ( 0.3735040 0.5044635 0.2995603), wk = 0.0027548 k( 205) = ( 0.3674804 0.5173941 0.3138250), wk = 0.0027548 k( 206) = ( 0.3614568 0.5303247 0.3280898), wk = 0.0027548 k( 207) = ( 0.3554332 0.5432552 0.3423546), wk = 0.0027548 k( 208) = ( 0.3494096 0.5561858 0.3566193), wk = 0.0027548 k( 209) = ( 0.3433860 0.5691164 0.3708841), wk = 0.0027548 k( 210) = ( 0.3373624 0.5820470 0.3851489), wk = 0.0027548 k( 211) = ( 0.3313387 0.5949776 0.3994137), wk = 0.0027548 k( 212) = ( 0.3253151 0.6079081 0.4136784), wk = 0.0027548 k( 213) = ( 0.3192915 0.6208387 0.4279432), wk = 0.0027548 k( 214) = ( 0.3132679 0.6337693 0.4422080), wk = 0.0027548 k( 215) = ( 0.3072443 0.6466999 0.4564728), wk = 0.0027548 k( 216) = ( 0.3012207 0.6596304 0.4707375), wk = 0.0027548 k( 217) = ( 0.2951970 0.6725610 0.4850023), wk = 0.0027548 k( 218) = ( 0.2891734 0.6854916 0.4992671), wk = 0.0027548 k( 219) = ( 0.2831498 0.6984222 0.5135319), wk = 0.0027548 k( 220) = ( 0.2771262 0.7113528 0.5277966), wk = 0.0027548 k( 221) = ( 0.2771262 0.7113528 0.5277966), wk = 0.0027548 k( 222) = ( 0.2586511 0.7074707 0.5320792), wk = 0.0027548 k( 223) = ( 0.2401760 0.7035887 0.5363618), wk = 0.0027548 k( 224) = ( 0.2217010 0.6997067 0.5406444), wk = 0.0027548 k( 225) = ( 0.2032259 0.6958247 0.5449269), wk = 0.0027548 k( 226) = ( 0.1847508 0.6919426 0.5492095), wk = 0.0027548 k( 227) = ( 0.1662757 0.6880606 0.5534921), wk = 0.0027548 k( 228) = ( 0.1478006 0.6841786 0.5577747), wk = 0.0027548 k( 229) = ( 0.1293256 0.6802966 0.5620572), wk = 0.0027548 k( 230) = ( 0.1108505 0.6764145 0.5663398), wk = 0.0027548 k( 231) = ( 0.0923754 0.6725325 0.5706224), wk = 0.0027548 k( 232) = ( 0.0739003 0.6686505 0.5749050), wk = 0.0027548 k( 233) = ( 0.0554252 0.6647685 0.5791875), wk = 0.0027548 k( 234) = ( 0.0369502 0.6608865 0.5834701), wk = 0.0027548 k( 235) = ( 0.0184751 0.6570044 0.5877527), wk = 0.0027548 k( 236) = ( 0.0000000 0.6531224 0.5920353), wk = 0.0027548 k( 237) = ( 0.0000000 0.6531224 0.5920353), wk = 0.0027548 k( 238) = ( 0.0059524 0.6403447 0.6061314), wk = 0.0027548 k( 239) = ( 0.0119048 0.6275671 0.6202274), wk = 0.0027548 k( 240) = ( 0.0178571 0.6147894 0.6343235), wk = 0.0027548 k( 241) = ( 0.0238095 0.6020118 0.6484196), wk = 0.0027548 k( 242) = ( 0.0297619 0.5892341 0.6625157), wk = 0.0027548 k( 243) = ( 0.0357143 0.5764564 0.6766118), wk = 0.0027548 k( 244) = ( 0.0416667 0.5636788 0.6907078), wk = 0.0027548 k( 245) = ( 0.0476191 0.5509011 0.7048039), wk = 0.0027548 k( 246) = ( 0.0535714 0.5381235 0.7189000), wk = 0.0027548 k( 247) = ( 0.0595238 0.5253458 0.7329961), wk = 0.0027548 k( 248) = ( 0.0654762 0.5125681 0.7470921), wk = 0.0027548 k( 249) = ( 0.0714286 0.4997905 0.7611882), wk = 0.0027548 k( 250) = ( 0.0773810 0.4870128 0.7752843), wk = 0.0027548 k( 251) = ( 0.0833333 0.4742352 0.7893804), wk = 0.0027548 k( 252) = ( 0.0892857 0.4614575 0.8034764), wk = 0.0027548 k( 253) = ( 0.0952381 0.4486798 0.8175725), wk = 0.0027548 k( 254) = ( 0.1011905 0.4359022 0.8316686), wk = 0.0027548 k( 255) = ( 0.1071429 0.4231245 0.8457647), wk = 0.0027548 k( 256) = ( 0.1130952 0.4103469 0.8598608), wk = 0.0027548 k( 257) = ( 0.1190476 0.3975692 0.8739568), wk = 0.0027548 k( 258) = ( 0.1250000 0.3847916 0.8880529), wk = 0.0027548 k( 259) = ( 0.1309524 0.3720139 0.9021490), wk = 0.0027548 k( 260) = ( 0.1369048 0.3592362 0.9162451), wk = 0.0027548 k( 261) = ( 0.1428571 0.3464586 0.9303412), wk = 0.0027548 k( 262) = ( 0.1488095 0.3336809 0.9444372), wk = 0.0027548 k( 263) = ( 0.1547619 0.3209033 0.9585333), wk = 0.0027548 k( 264) = ( 0.1607143 0.3081256 0.9726294), wk = 0.0027548 k( 265) = ( 0.1666667 0.2953479 0.9867255), wk = 0.0027548 k( 266) = ( 0.1726190 0.2825703 1.0008216), wk = 0.0027548 k( 267) = ( 0.1785714 0.2697926 1.0149176), wk = 0.0027548 k( 268) = ( 0.1845238 0.2570150 1.0290137), wk = 0.0027548 k( 269) = ( 0.1904762 0.2442373 1.0431098), wk = 0.0027548 k( 270) = ( 0.1964286 0.2314596 1.0572059), wk = 0.0027548 k( 271) = ( 0.2023810 0.2186820 1.0713019), wk = 0.0027548 k( 272) = ( 0.2083333 0.2059043 1.0853980), wk = 0.0027548 k( 273) = ( 0.2142857 0.1931267 1.0994941), wk = 0.0027548 k( 274) = ( 0.2202381 0.1803490 1.1135902), wk = 0.0027548 k( 275) = ( 0.2261905 0.1675713 1.1276863), wk = 0.0027548 k( 276) = ( 0.2321429 0.1547937 1.1417823), wk = 0.0027548 k( 277) = ( 0.2380952 0.1420160 1.1558784), wk = 0.0027548 k( 278) = ( 0.2440476 0.1292384 1.1699745), wk = 0.0027548 k( 279) = ( 0.2500000 0.1164607 1.1840706), wk = 0.0027548 k( 280) = ( 0.2500000 0.1164607 1.1840706), wk = 0.0027548 k( 281) = ( 0.2666667 0.1242248 1.1755054), wk = 0.0027548 k( 282) = ( 0.2833333 0.1319888 1.1669403), wk = 0.0027548 k( 283) = ( 0.3000000 0.1397528 1.1583751), wk = 0.0027548 k( 284) = ( 0.3166667 0.1475169 1.1498100), wk = 0.0027548 k( 285) = ( 0.3333333 0.1552809 1.1412448), wk = 0.0027548 k( 286) = ( 0.3500000 0.1630450 1.1326797), wk = 0.0027548 k( 287) = ( 0.3666667 0.1708090 1.1241145), wk = 0.0027548 k( 288) = ( 0.3833333 0.1785731 1.1155493), wk = 0.0027548 k( 289) = ( 0.4000000 0.1863371 1.1069842), wk = 0.0027548 k( 290) = ( 0.4166667 0.1941012 1.0984190), wk = 0.0027548 k( 291) = ( 0.4333333 0.2018652 1.0898539), wk = 0.0027548 k( 292) = ( 0.4500000 0.2096293 1.0812887), wk = 0.0027548 k( 293) = ( 0.4666667 0.2173933 1.0727236), wk = 0.0027548 k( 294) = ( 0.4833333 0.2251574 1.0641584), wk = 0.0027548 k( 295) = ( 0.5000000 0.2329214 1.0555933), wk = 0.0027548 k( 296) = ( 0.5000000 0.2329214 1.0555933), wk = 0.0027548 k( 297) = ( 0.5000000 0.2329214 1.0352934), wk = 0.0027548 k( 298) = ( 0.5000000 0.2329214 1.0149935), wk = 0.0027548 k( 299) = ( 0.5000000 0.2329214 0.9946937), wk = 0.0027548 k( 300) = ( 0.5000000 0.2329214 0.9743938), wk = 0.0027548 k( 301) = ( 0.5000000 0.2329214 0.9540939), wk = 0.0027548 k( 302) = ( 0.5000000 0.2329214 0.9337940), wk = 0.0027548 k( 303) = ( 0.5000000 0.2329214 0.9134942), wk = 0.0027548 k( 304) = ( 0.5000000 0.2329214 0.8931943), wk = 0.0027548 k( 305) = ( 0.5000000 0.2329214 0.8728944), wk = 0.0027548 k( 306) = ( 0.5000000 0.2329214 0.8525946), wk = 0.0027548 k( 307) = ( 0.5000000 0.2329214 0.8322947), wk = 0.0027548 k( 308) = ( 0.5000000 0.2329214 0.8119948), wk = 0.0027548 k( 309) = ( 0.5000000 0.2329214 0.7916949), wk = 0.0027548 k( 310) = ( 0.5000000 0.2329214 0.7713951), wk = 0.0027548 k( 311) = ( 0.5000000 0.2329214 0.7510952), wk = 0.0027548 k( 312) = ( 0.5000000 0.2329214 0.7307953), wk = 0.0027548 k( 313) = ( 0.5000000 0.2329214 0.7104955), wk = 0.0027548 k( 314) = ( 0.5000000 0.2329214 0.6901956), wk = 0.0027548 k( 315) = ( 0.5000000 0.2329214 0.6698957), wk = 0.0027548 k( 316) = ( 0.5000000 0.2329214 0.6495959), wk = 0.0027548 k( 317) = ( 0.5000000 0.2329214 0.6292960), wk = 0.0027548 k( 318) = ( 0.5000000 0.2329214 0.6089961), wk = 0.0027548 k( 319) = ( 0.5000000 0.2329214 0.5886963), wk = 0.0027548 k( 320) = ( 0.5000000 0.2329214 0.5683964), wk = 0.0027548 k( 321) = ( 0.5000000 0.2329214 0.5480965), wk = 0.0027548 k( 322) = ( 0.5000000 0.2329214 0.5277966), wk = 0.0027548 k( 323) = ( 0.5000000 0.2329214 0.5074968), wk = 0.0027548 k( 324) = ( 0.5000000 0.2329214 0.4871969), wk = 0.0027548 k( 325) = ( 0.5000000 0.2329214 0.4668970), wk = 0.0027548 k( 326) = ( 0.5000000 0.2329214 0.4465972), wk = 0.0027548 k( 327) = ( 0.5000000 0.2329214 0.4262973), wk = 0.0027548 k( 328) = ( 0.5000000 0.2329214 0.4059974), wk = 0.0027548 k( 329) = ( 0.5000000 0.2329214 0.3856975), wk = 0.0027548 k( 330) = ( 0.5000000 0.2329214 0.3653977), wk = 0.0027548 k( 331) = ( 0.5000000 0.2329214 0.3450978), wk = 0.0027548 k( 332) = ( 0.5000000 0.2329214 0.3247979), wk = 0.0027548 k( 333) = ( 0.5000000 0.2329214 0.3044980), wk = 0.0027548 k( 334) = ( 0.5000000 0.2329214 0.2841982), wk = 0.0027548 k( 335) = ( 0.5000000 0.2329214 0.2638983), wk = 0.0027548 k( 336) = ( 0.5000000 0.2329214 0.2435984), wk = 0.0027548 k( 337) = ( 0.5000000 0.2329214 0.2232986), wk = 0.0027548 k( 338) = ( 0.5000000 0.2329214 0.2029987), wk = 0.0027548 k( 339) = ( 0.5000000 0.2329214 0.1826988), wk = 0.0027548 k( 340) = ( 0.5000000 0.2329214 0.1623990), wk = 0.0027548 k( 341) = ( 0.5000000 0.2329214 0.1420991), wk = 0.0027548 k( 342) = ( 0.5000000 0.2329214 0.1217992), wk = 0.0027548 k( 343) = ( 0.5000000 0.2329214 0.1014994), wk = 0.0027548 k( 344) = ( 0.5000000 0.2329214 0.0811995), wk = 0.0027548 k( 345) = ( 0.5000000 0.2329214 0.0608996), wk = 0.0027548 k( 346) = ( 0.5000000 0.2329214 0.0405997), wk = 0.0027548 k( 347) = ( 0.5000000 0.2329214 0.0202999), wk = 0.0027548 k( 348) = ( 0.5000000 0.2329214 0.0000000), wk = 0.0027548 k( 349) = ( 0.0000000 0.0000000 1.1840706), wk = 0.0027548 k( 350) = ( 0.0178571 0.0083186 1.1840706), wk = 0.0027548 k( 351) = ( 0.0357143 0.0166372 1.1840706), wk = 0.0027548 k( 352) = ( 0.0535714 0.0249559 1.1840706), wk = 0.0027548 k( 353) = ( 0.0714286 0.0332745 1.1840706), wk = 0.0027548 k( 354) = ( 0.0892857 0.0415931 1.1840706), wk = 0.0027548 k( 355) = ( 0.1071429 0.0499117 1.1840706), wk = 0.0027548 k( 356) = ( 0.1250000 0.0582304 1.1840706), wk = 0.0027548 k( 357) = ( 0.1428571 0.0665490 1.1840706), wk = 0.0027548 k( 358) = ( 0.1607143 0.0748676 1.1840706), wk = 0.0027548 k( 359) = ( 0.1785714 0.0831862 1.1840706), wk = 0.0027548 k( 360) = ( 0.1964286 0.0915048 1.1840706), wk = 0.0027548 k( 361) = ( 0.2142857 0.0998235 1.1840706), wk = 0.0027548 k( 362) = ( 0.2321429 0.1081421 1.1840706), wk = 0.0027548 k( 363) = ( 0.2500000 0.1164607 1.1840706), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0000000 0.0000000 0.0084746), wk = 0.0027548 k( 3) = ( 0.0000000 0.0000000 0.0169491), wk = 0.0027548 k( 4) = ( 0.0000000 0.0000000 0.0254237), wk = 0.0027548 k( 5) = ( 0.0000000 0.0000000 0.0338983), wk = 0.0027548 k( 6) = ( 0.0000000 0.0000000 0.0423729), wk = 0.0027548 k( 7) = ( 0.0000000 0.0000000 0.0508475), wk = 0.0027548 k( 8) = ( 0.0000000 0.0000000 0.0593220), wk = 0.0027548 k( 9) = ( 0.0000000 0.0000000 0.0677966), wk = 0.0027548 k( 10) = ( 0.0000000 0.0000000 0.0762712), wk = 0.0027548 k( 11) = ( 0.0000000 0.0000000 0.0847458), wk = 0.0027548 k( 12) = ( 0.0000000 0.0000000 0.0932203), wk = 0.0027548 k( 13) = ( 0.0000000 0.0000000 0.1016949), wk = 0.0027548 k( 14) = ( 0.0000000 0.0000000 0.1101695), wk = 0.0027548 k( 15) = ( 0.0000000 0.0000000 0.1186441), wk = 0.0027548 k( 16) = ( 0.0000000 0.0000000 0.1271186), wk = 0.0027548 k( 17) = ( 0.0000000 0.0000000 0.1355932), wk = 0.0027548 k( 18) = ( 0.0000000 0.0000000 0.1440678), wk = 0.0027548 k( 19) = ( 0.0000000 0.0000000 0.1525424), wk = 0.0027548 k( 20) = ( 0.0000000 0.0000000 0.1610169), wk = 0.0027548 k( 21) = ( 0.0000000 0.0000000 0.1694915), wk = 0.0027548 k( 22) = ( 0.0000000 0.0000000 0.1779661), wk = 0.0027548 k( 23) = ( 0.0000000 0.0000000 0.1864407), wk = 0.0027548 k( 24) = ( 0.0000000 0.0000000 0.1949153), wk = 0.0027548 k( 25) = ( 0.0000000 0.0000000 0.2033898), wk = 0.0027548 k( 26) = ( 0.0000000 0.0000000 0.2118644), wk = 0.0027548 k( 27) = ( 0.0000000 0.0000000 0.2203390), wk = 0.0027548 k( 28) = ( 0.0000000 0.0000000 0.2288136), wk = 0.0027548 k( 29) = ( 0.0000000 0.0000000 0.2372881), wk = 0.0027548 k( 30) = ( 0.0000000 0.0000000 0.2457627), wk = 0.0027548 k( 31) = ( 0.0000000 0.0000000 0.2542373), wk = 0.0027548 k( 32) = ( 0.0000000 0.0000000 0.2627119), wk = 0.0027548 k( 33) = ( 0.0000000 0.0000000 0.2711864), wk = 0.0027548 k( 34) = ( 0.0000000 0.0000000 0.2796610), wk = 0.0027548 k( 35) = ( 0.0000000 0.0000000 0.2881356), wk = 0.0027548 k( 36) = ( 0.0000000 0.0000000 0.2966102), wk = 0.0027548 k( 37) = ( 0.0000000 0.0000000 0.3050848), wk = 0.0027548 k( 38) = ( 0.0000000 0.0000000 0.3135593), wk = 0.0027548 k( 39) = ( 0.0000000 0.0000000 0.3220339), wk = 0.0027548 k( 40) = ( 0.0000000 0.0000000 0.3305085), wk = 0.0027548 k( 41) = ( 0.0000000 0.0000000 0.3389831), wk = 0.0027548 k( 42) = ( 0.0000000 0.0000000 0.3474576), wk = 0.0027548 k( 43) = ( 0.0000000 0.0000000 0.3559322), wk = 0.0027548 k( 44) = ( 0.0000000 0.0000000 0.3644068), wk = 0.0027548 k( 45) = ( 0.0000000 0.0000000 0.3728814), wk = 0.0027548 k( 46) = ( 0.0000000 0.0000000 0.3813559), wk = 0.0027548 k( 47) = ( 0.0000000 0.0000000 0.3898305), wk = 0.0027548 k( 48) = ( 0.0000000 0.0000000 0.3983051), wk = 0.0027548 k( 49) = ( 0.0000000 0.0000000 0.4067797), wk = 0.0027548 k( 50) = ( 0.0000000 0.0000000 0.4152542), wk = 0.0027548 k( 51) = ( 0.0000000 0.0000000 0.4237288), wk = 0.0027548 k( 52) = ( 0.0000000 0.0000000 0.4322034), wk = 0.0027548 k( 53) = ( 0.0000000 0.0000000 0.4406780), wk = 0.0027548 k( 54) = ( 0.0000000 0.0000000 0.4491525), wk = 0.0027548 k( 55) = ( 0.0000000 0.0000000 0.4576271), wk = 0.0027548 k( 56) = ( 0.0000000 0.0000000 0.4661017), wk = 0.0027548 k( 57) = ( 0.0000000 0.0000000 0.4745763), wk = 0.0027548 k( 58) = ( 0.0000000 0.0000000 0.4830508), wk = 0.0027548 k( 59) = ( 0.0000000 0.0000000 0.4915254), wk = 0.0027548 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 61) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 62) = ( -0.0077503 0.0077503 0.5000000), wk = 0.0027548 k( 63) = ( -0.0155007 0.0155007 0.5000000), wk = 0.0027548 k( 64) = ( -0.0232510 0.0232510 0.5000000), wk = 0.0027548 k( 65) = ( -0.0310014 0.0310014 0.5000000), wk = 0.0027548 k( 66) = ( -0.0387517 0.0387517 0.5000000), wk = 0.0027548 k( 67) = ( -0.0465020 0.0465020 0.5000000), wk = 0.0027548 k( 68) = ( -0.0542524 0.0542524 0.5000000), wk = 0.0027548 k( 69) = ( -0.0542524 0.0542524 0.5000000), wk = 0.0027548 k( 70) = ( -0.0602760 0.0602760 0.4939764), wk = 0.0027548 k( 71) = ( -0.0662996 0.0662996 0.4879528), wk = 0.0027548 k( 72) = ( -0.0723232 0.0723232 0.4819292), wk = 0.0027548 k( 73) = ( -0.0783468 0.0783469 0.4759055), wk = 0.0027548 k( 74) = ( -0.0843705 0.0843705 0.4698819), wk = 0.0027548 k( 75) = ( -0.0903941 0.0903941 0.4638583), wk = 0.0027548 k( 76) = ( -0.0964177 0.0964177 0.4578347), wk = 0.0027548 k( 77) = ( -0.1024413 0.1024413 0.4518111), wk = 0.0027548 k( 78) = ( -0.1084649 0.1084649 0.4457874), wk = 0.0027548 k( 79) = ( -0.1144885 0.1144885 0.4397638), wk = 0.0027548 k( 80) = ( -0.1205122 0.1205122 0.4337402), wk = 0.0027548 k( 81) = ( -0.1265358 0.1265358 0.4277166), wk = 0.0027548 k( 82) = ( -0.1325594 0.1325594 0.4216930), wk = 0.0027548 k( 83) = ( -0.1385830 0.1385830 0.4156694), wk = 0.0027548 k( 84) = ( -0.1446066 0.1446066 0.4096457), wk = 0.0027548 k( 85) = ( -0.1506302 0.1506302 0.4036221), wk = 0.0027548 k( 86) = ( -0.1566539 0.1566539 0.3975985), wk = 0.0027548 k( 87) = ( -0.1626775 0.1626775 0.3915749), wk = 0.0027548 k( 88) = ( -0.1687011 0.1687011 0.3855513), wk = 0.0027548 k( 89) = ( -0.1747247 0.1747247 0.3795277), wk = 0.0027548 k( 90) = ( -0.1807483 0.1807483 0.3735040), wk = 0.0027548 k( 91) = ( -0.1867719 0.1867719 0.3674804), wk = 0.0027548 k( 92) = ( -0.1927956 0.1927956 0.3614568), wk = 0.0027548 k( 93) = ( -0.1988192 0.1988192 0.3554332), wk = 0.0027548 k( 94) = ( -0.2048428 0.2048428 0.3494096), wk = 0.0027548 k( 95) = ( -0.2108664 0.2108664 0.3433860), wk = 0.0027548 k( 96) = ( -0.2168900 0.2168900 0.3373624), wk = 0.0027548 k( 97) = ( -0.2229136 0.2229136 0.3313387), wk = 0.0027548 k( 98) = ( -0.2289373 0.2289373 0.3253151), wk = 0.0027548 k( 99) = ( -0.2349609 0.2349609 0.3192915), wk = 0.0027548 k( 100) = ( -0.2409845 0.2409845 0.3132679), wk = 0.0027548 k( 101) = ( -0.2470081 0.2470081 0.3072443), wk = 0.0027548 k( 102) = ( -0.2530317 0.2530317 0.3012207), wk = 0.0027548 k( 103) = ( -0.2590553 0.2590553 0.2951970), wk = 0.0027548 k( 104) = ( -0.2650790 0.2650790 0.2891734), wk = 0.0027548 k( 105) = ( -0.2711026 0.2711026 0.2831498), wk = 0.0027548 k( 106) = ( -0.2771262 0.2771262 0.2771262), wk = 0.0027548 k( 107) = ( -0.2771262 0.2771262 0.2771262), wk = 0.0027548 k( 108) = ( -0.2711017 0.2711017 0.2711017), wk = 0.0027548 k( 109) = ( -0.2650772 0.2650772 0.2650772), wk = 0.0027548 k( 110) = ( -0.2590527 0.2590527 0.2590527), wk = 0.0027548 k( 111) = ( -0.2530283 0.2530283 0.2530283), wk = 0.0027548 k( 112) = ( -0.2470038 0.2470038 0.2470038), wk = 0.0027548 k( 113) = ( -0.2409793 0.2409793 0.2409793), wk = 0.0027548 k( 114) = ( -0.2349548 0.2349548 0.2349548), wk = 0.0027548 k( 115) = ( -0.2289303 0.2289303 0.2289303), wk = 0.0027548 k( 116) = ( -0.2229058 0.2229058 0.2229059), wk = 0.0027548 k( 117) = ( -0.2168814 0.2168814 0.2168814), wk = 0.0027548 k( 118) = ( -0.2108569 0.2108569 0.2108569), wk = 0.0027548 k( 119) = ( -0.2048324 0.2048324 0.2048324), wk = 0.0027548 k( 120) = ( -0.1988079 0.1988079 0.1988079), wk = 0.0027548 k( 121) = ( -0.1927834 0.1927834 0.1927834), wk = 0.0027548 k( 122) = ( -0.1867590 0.1867590 0.1867590), wk = 0.0027548 k( 123) = ( -0.1807345 0.1807345 0.1807345), wk = 0.0027548 k( 124) = ( -0.1747100 0.1747100 0.1747100), wk = 0.0027548 k( 125) = ( -0.1686855 0.1686855 0.1686855), wk = 0.0027548 k( 126) = ( -0.1626610 0.1626610 0.1626610), wk = 0.0027548 k( 127) = ( -0.1566365 0.1566365 0.1566365), wk = 0.0027548 k( 128) = ( -0.1506121 0.1506121 0.1506121), wk = 0.0027548 k( 129) = ( -0.1445876 0.1445876 0.1445876), wk = 0.0027548 k( 130) = ( -0.1385631 0.1385631 0.1385631), wk = 0.0027548 k( 131) = ( -0.1325386 0.1325386 0.1325386), wk = 0.0027548 k( 132) = ( -0.1265141 0.1265141 0.1265141), wk = 0.0027548 k( 133) = ( -0.1204897 0.1204897 0.1204897), wk = 0.0027548 k( 134) = ( -0.1144652 0.1144652 0.1144652), wk = 0.0027548 k( 135) = ( -0.1084407 0.1084407 0.1084407), wk = 0.0027548 k( 136) = ( -0.1024162 0.1024162 0.1024162), wk = 0.0027548 k( 137) = ( -0.0963917 0.0963917 0.0963917), wk = 0.0027548 k( 138) = ( -0.0903672 0.0903672 0.0903672), wk = 0.0027548 k( 139) = ( -0.0843427 0.0843427 0.0843427), wk = 0.0027548 k( 140) = ( -0.0783183 0.0783183 0.0783183), wk = 0.0027548 k( 141) = ( -0.0722938 0.0722938 0.0722938), wk = 0.0027548 k( 142) = ( -0.0662693 0.0662693 0.0662693), wk = 0.0027548 k( 143) = ( -0.0602448 0.0602448 0.0602448), wk = 0.0027548 k( 144) = ( -0.0542203 0.0542203 0.0542203), wk = 0.0027548 k( 145) = ( -0.0481959 0.0481959 0.0481959), wk = 0.0027548 k( 146) = ( -0.0421714 0.0421714 0.0421714), wk = 0.0027548 k( 147) = ( -0.0361469 0.0361469 0.0361469), wk = 0.0027548 k( 148) = ( -0.0301224 0.0301224 0.0301224), wk = 0.0027548 k( 149) = ( -0.0240979 0.0240979 0.0240979), wk = 0.0027548 k( 150) = ( -0.0180735 0.0180735 0.0180735), wk = 0.0027548 k( 151) = ( -0.0120490 0.0120490 0.0120490), wk = 0.0027548 k( 152) = ( -0.0060245 0.0060245 0.0060245), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 155) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0027548 k( 156) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0027548 k( 157) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0027548 k( 158) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0027548 k( 159) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0027548 k( 160) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0027548 k( 161) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0027548 k( 162) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0027548 k( 163) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0027548 k( 164) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0027548 k( 165) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0027548 k( 166) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0027548 k( 167) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0027548 k( 168) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027548 k( 169) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0027548 k( 170) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0027548 k( 171) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0027548 k( 172) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0027548 k( 173) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0027548 k( 174) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0027548 k( 175) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0027548 k( 176) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0027548 k( 177) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0027548 k( 178) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0027548 k( 179) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0027548 k( 180) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0027548 k( 181) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0027548 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027548 k( 183) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027548 k( 184) = ( 0.4939764 0.5060236 -0.4939764), wk = 0.0027548 k( 185) = ( 0.4879528 0.5120472 -0.4879528), wk = 0.0027548 k( 186) = ( 0.4819291 0.5180708 -0.4819291), wk = 0.0027548 k( 187) = ( 0.4759055 0.5240945 -0.4759055), wk = 0.0027548 k( 188) = ( 0.4698819 0.5301181 -0.4698819), wk = 0.0027548 k( 189) = ( 0.4638583 0.5361417 -0.4638583), wk = 0.0027548 k( 190) = ( 0.4578347 0.5421653 -0.4578347), wk = 0.0027548 k( 191) = ( 0.4518111 0.5481889 -0.4518111), wk = 0.0027548 k( 192) = ( 0.4457874 0.5542126 -0.4457875), wk = 0.0027548 k( 193) = ( 0.4397638 0.5602362 -0.4397638), wk = 0.0027548 k( 194) = ( 0.4337402 0.5662598 -0.4337402), wk = 0.0027548 k( 195) = ( 0.4277166 0.5722834 -0.4277166), wk = 0.0027548 k( 196) = ( 0.4216930 0.5783070 -0.4216930), wk = 0.0027548 k( 197) = ( 0.4156694 0.5843306 -0.4156694), wk = 0.0027548 k( 198) = ( 0.4096457 0.5903542 -0.4096458), wk = 0.0027548 k( 199) = ( 0.4036221 0.5963779 -0.4036221), wk = 0.0027548 k( 200) = ( 0.3975985 0.6024015 -0.3975985), wk = 0.0027548 k( 201) = ( 0.3915749 0.6084251 -0.3915749), wk = 0.0027548 k( 202) = ( 0.3855513 0.6144487 -0.3855513), wk = 0.0027548 k( 203) = ( 0.3795277 0.6204723 -0.3795277), wk = 0.0027548 k( 204) = ( 0.3735040 0.6264960 -0.3735041), wk = 0.0027548 k( 205) = ( 0.3674804 0.6325196 -0.3674804), wk = 0.0027548 k( 206) = ( 0.3614568 0.6385432 -0.3614568), wk = 0.0027548 k( 207) = ( 0.3554332 0.6445668 -0.3554332), wk = 0.0027548 k( 208) = ( 0.3494096 0.6505904 -0.3494096), wk = 0.0027548 k( 209) = ( 0.3433860 0.6566140 -0.3433860), wk = 0.0027548 k( 210) = ( 0.3373624 0.6626376 -0.3373624), wk = 0.0027548 k( 211) = ( 0.3313387 0.6686613 -0.3313387), wk = 0.0027548 k( 212) = ( 0.3253151 0.6746849 -0.3253151), wk = 0.0027548 k( 213) = ( 0.3192915 0.6807085 -0.3192915), wk = 0.0027548 k( 214) = ( 0.3132679 0.6867321 -0.3132679), wk = 0.0027548 k( 215) = ( 0.3072443 0.6927557 -0.3072443), wk = 0.0027548 k( 216) = ( 0.3012207 0.6987793 -0.3012207), wk = 0.0027548 k( 217) = ( 0.2951970 0.7048030 -0.2951970), wk = 0.0027548 k( 218) = ( 0.2891734 0.7108266 -0.2891734), wk = 0.0027548 k( 219) = ( 0.2831498 0.7168502 -0.2831498), wk = 0.0027548 k( 220) = ( 0.2771262 0.7228738 -0.2771262), wk = 0.0027548 k( 221) = ( 0.2771262 0.7228738 -0.2771262), wk = 0.0027548 k( 222) = ( 0.2586511 0.7080156 -0.2586511), wk = 0.0027548 k( 223) = ( 0.2401760 0.6931573 -0.2401760), wk = 0.0027548 k( 224) = ( 0.2217010 0.6782991 -0.2217010), wk = 0.0027548 k( 225) = ( 0.2032259 0.6634408 -0.2032259), wk = 0.0027548 k( 226) = ( 0.1847508 0.6485825 -0.1847508), wk = 0.0027548 k( 227) = ( 0.1662757 0.6337243 -0.1662757), wk = 0.0027548 k( 228) = ( 0.1478006 0.6188660 -0.1478006), wk = 0.0027548 k( 229) = ( 0.1293256 0.6040078 -0.1293256), wk = 0.0027548 k( 230) = ( 0.1108505 0.5891495 -0.1108505), wk = 0.0027548 k( 231) = ( 0.0923754 0.5742913 -0.0923754), wk = 0.0027548 k( 232) = ( 0.0739003 0.5594330 -0.0739003), wk = 0.0027548 k( 233) = ( 0.0554252 0.5445748 -0.0554252), wk = 0.0027548 k( 234) = ( 0.0369502 0.5297165 -0.0369502), wk = 0.0027548 k( 235) = ( 0.0184751 0.5148582 -0.0184751), wk = 0.0027548 k( 236) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027548 k( 237) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027548 k( 238) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0027548 k( 239) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0027548 k( 240) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0027548 k( 241) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0027548 k( 242) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0027548 k( 243) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0027548 k( 244) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0027548 k( 245) = ( 0.0476191 0.4523810 0.0476190), wk = 0.0027548 k( 246) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0027548 k( 247) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0027548 k( 248) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0027548 k( 249) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0027548 k( 250) = ( 0.0773810 0.4226190 0.0773809), wk = 0.0027548 k( 251) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0027548 k( 252) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0027548 k( 253) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0027548 k( 254) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0027548 k( 255) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0027548 k( 256) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0027548 k( 257) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0027548 k( 258) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0027548 k( 259) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0027548 k( 260) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0027548 k( 261) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0027548 k( 262) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0027548 k( 263) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0027548 k( 264) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0027548 k( 265) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0027548 k( 266) = ( 0.1726190 0.3273809 0.1726190), wk = 0.0027548 k( 267) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0027548 k( 268) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0027548 k( 269) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0027548 k( 270) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0027548 k( 271) = ( 0.2023810 0.2976190 0.2023809), wk = 0.0027548 k( 272) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0027548 k( 273) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0027548 k( 274) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0027548 k( 275) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0027548 k( 276) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0027548 k( 277) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0027548 k( 278) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0027548 k( 279) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027548 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027548 k( 281) = ( 0.2666667 0.2666667 0.2297165), wk = 0.0027548 k( 282) = ( 0.2833333 0.2833333 0.2094330), wk = 0.0027548 k( 283) = ( 0.3000000 0.3000000 0.1891495), wk = 0.0027548 k( 284) = ( 0.3166667 0.3166667 0.1688660), wk = 0.0027548 k( 285) = ( 0.3333333 0.3333333 0.1485825), wk = 0.0027548 k( 286) = ( 0.3500000 0.3500000 0.1282990), wk = 0.0027548 k( 287) = ( 0.3666667 0.3666667 0.1080156), wk = 0.0027548 k( 288) = ( 0.3833333 0.3833333 0.0877321), wk = 0.0027548 k( 289) = ( 0.4000000 0.4000000 0.0674486), wk = 0.0027548 k( 290) = ( 0.4166667 0.4166667 0.0471651), wk = 0.0027548 k( 291) = ( 0.4333333 0.4333333 0.0268816), wk = 0.0027548 k( 292) = ( 0.4500000 0.4500000 0.0065981), wk = 0.0027548 k( 293) = ( 0.4666667 0.4666667 -0.0136854), wk = 0.0027548 k( 294) = ( 0.4833333 0.4833333 -0.0339689), wk = 0.0027548 k( 295) = ( 0.5000000 0.5000000 -0.0542524), wk = 0.0027548 k( 296) = ( 0.5000000 0.5000000 -0.0542524), wk = 0.0027548 k( 297) = ( 0.5000000 0.5000000 -0.0628245), wk = 0.0027548 k( 298) = ( 0.5000000 0.5000000 -0.0713965), wk = 0.0027548 k( 299) = ( 0.5000000 0.5000000 -0.0799686), wk = 0.0027548 k( 300) = ( 0.5000000 0.5000000 -0.0885407), wk = 0.0027548 k( 301) = ( 0.5000000 0.5000000 -0.0971127), wk = 0.0027548 k( 302) = ( 0.5000000 0.5000000 -0.1056848), wk = 0.0027548 k( 303) = ( 0.5000000 0.5000000 -0.1142569), wk = 0.0027548 k( 304) = ( 0.5000000 0.5000000 -0.1228289), wk = 0.0027548 k( 305) = ( 0.5000000 0.5000000 -0.1314010), wk = 0.0027548 k( 306) = ( 0.5000000 0.5000000 -0.1399731), wk = 0.0027548 k( 307) = ( 0.5000000 0.5000000 -0.1485452), wk = 0.0027548 k( 308) = ( 0.5000000 0.5000000 -0.1571172), wk = 0.0027548 k( 309) = ( 0.5000000 0.5000000 -0.1656893), wk = 0.0027548 k( 310) = ( 0.5000000 0.5000000 -0.1742614), wk = 0.0027548 k( 311) = ( 0.5000000 0.5000000 -0.1828334), wk = 0.0027548 k( 312) = ( 0.5000000 0.5000000 -0.1914055), wk = 0.0027548 k( 313) = ( 0.5000000 0.5000000 -0.1999776), wk = 0.0027548 k( 314) = ( 0.5000000 0.5000000 -0.2085496), wk = 0.0027548 k( 315) = ( 0.5000000 0.5000000 -0.2171217), wk = 0.0027548 k( 316) = ( 0.5000000 0.5000000 -0.2256938), wk = 0.0027548 k( 317) = ( 0.5000000 0.5000000 -0.2342658), wk = 0.0027548 k( 318) = ( 0.5000000 0.5000000 -0.2428379), wk = 0.0027548 k( 319) = ( 0.5000000 0.5000000 -0.2514100), wk = 0.0027548 k( 320) = ( 0.5000000 0.5000000 -0.2599821), wk = 0.0027548 k( 321) = ( 0.5000000 0.5000000 -0.2685541), wk = 0.0027548 k( 322) = ( 0.5000000 0.5000000 -0.2771262), wk = 0.0027548 k( 323) = ( 0.5000000 0.5000000 -0.2856983), wk = 0.0027548 k( 324) = ( 0.5000000 0.5000000 -0.2942703), wk = 0.0027548 k( 325) = ( 0.5000000 0.5000000 -0.3028424), wk = 0.0027548 k( 326) = ( 0.5000000 0.5000000 -0.3114145), wk = 0.0027548 k( 327) = ( 0.5000000 0.5000000 -0.3199865), wk = 0.0027548 k( 328) = ( 0.5000000 0.5000000 -0.3285586), wk = 0.0027548 k( 329) = ( 0.5000000 0.5000000 -0.3371307), wk = 0.0027548 k( 330) = ( 0.5000000 0.5000000 -0.3457028), wk = 0.0027548 k( 331) = ( 0.5000000 0.5000000 -0.3542748), wk = 0.0027548 k( 332) = ( 0.5000000 0.5000000 -0.3628469), wk = 0.0027548 k( 333) = ( 0.5000000 0.5000000 -0.3714190), wk = 0.0027548 k( 334) = ( 0.5000000 0.5000000 -0.3799910), wk = 0.0027548 k( 335) = ( 0.5000000 0.5000000 -0.3885631), wk = 0.0027548 k( 336) = ( 0.5000000 0.5000000 -0.3971352), wk = 0.0027548 k( 337) = ( 0.5000000 0.5000000 -0.4057072), wk = 0.0027548 k( 338) = ( 0.5000000 0.5000000 -0.4142793), wk = 0.0027548 k( 339) = ( 0.5000000 0.5000000 -0.4228514), wk = 0.0027548 k( 340) = ( 0.5000000 0.5000000 -0.4314234), wk = 0.0027548 k( 341) = ( 0.5000000 0.5000000 -0.4399955), wk = 0.0027548 k( 342) = ( 0.5000000 0.5000000 -0.4485676), wk = 0.0027548 k( 343) = ( 0.5000000 0.5000000 -0.4571397), wk = 0.0027548 k( 344) = ( 0.5000000 0.5000000 -0.4657117), wk = 0.0027548 k( 345) = ( 0.5000000 0.5000000 -0.4742838), wk = 0.0027548 k( 346) = ( 0.5000000 0.5000000 -0.4828559), wk = 0.0027548 k( 347) = ( 0.5000000 0.5000000 -0.4914279), wk = 0.0027548 k( 348) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027548 k( 349) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 350) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0027548 k( 351) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0027548 k( 352) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0027548 k( 353) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0027548 k( 354) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0027548 k( 355) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0027548 k( 356) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027548 k( 357) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0027548 k( 358) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0027548 k( 359) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0027548 k( 360) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0027548 k( 361) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0027548 k( 362) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0027548 k( 363) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027548 Dense grid: 41281 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 24175 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 178, 44) NL pseudopotentials 0.23 Mb ( 89, 170) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1147) G-vector shells 0.00 Mb ( 543) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 178, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.23 Mb ( 170, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrxFePx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.7 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 13.1 secs Computing kpt #: 15 total cpu time spent up to now is 13.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.2 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.2 secs Computing kpt #: 19 total cpu time spent up to now is 15.7 secs Computing kpt #: 20 total cpu time spent up to now is 16.2 secs Computing kpt #: 21 total cpu time spent up to now is 16.7 secs Computing kpt #: 22 total cpu time spent up to now is 17.2 secs Computing kpt #: 23 total cpu time spent up to now is 17.7 secs Computing kpt #: 24 total cpu time spent up to now is 18.2 secs Computing kpt #: 25 total cpu time spent up to now is 18.7 secs Computing kpt #: 26 total cpu time spent up to now is 19.2 secs Computing kpt #: 27 total cpu time spent up to now is 19.7 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 21.0 secs Computing kpt #: 30 total cpu time spent up to now is 21.5 secs Computing kpt #: 31 total cpu time spent up to now is 22.0 secs Computing kpt #: 32 total cpu time spent up to now is 22.5 secs Computing kpt #: 33 total cpu time spent up to now is 22.9 secs Computing kpt #: 34 total cpu time spent up to now is 23.4 secs Computing kpt #: 35 total cpu time spent up to now is 23.9 secs Computing kpt #: 36 total cpu time spent up to now is 24.4 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.4 secs Computing kpt #: 39 total cpu time spent up to now is 25.8 secs Computing kpt #: 40 total cpu time spent up to now is 26.3 secs Computing kpt #: 41 total cpu time spent up to now is 26.8 secs Computing kpt #: 42 total cpu time spent up to now is 27.3 secs Computing kpt #: 43 total cpu time spent up to now is 27.8 secs Computing kpt #: 44 total cpu time spent up to now is 28.3 secs Computing kpt #: 45 total cpu time spent up to now is 28.8 secs Computing kpt #: 46 total cpu time spent up to now is 29.3 secs Computing kpt #: 47 total cpu time spent up to now is 29.7 secs Computing kpt #: 48 total cpu time spent up to now is 30.2 secs Computing kpt #: 49 total cpu time spent up to now is 30.7 secs Computing kpt #: 50 total cpu time spent up to now is 31.2 secs Computing kpt #: 51 total cpu time spent up to now is 31.7 secs Computing kpt #: 52 total cpu time spent up to now is 32.1 secs Computing kpt #: 53 total cpu time spent up to now is 32.6 secs Computing kpt #: 54 total cpu time spent up to now is 33.1 secs Computing kpt #: 55 total cpu time spent up to now is 33.5 secs Computing kpt #: 56 total cpu time spent up to now is 34.0 secs Computing kpt #: 57 total cpu time spent up to now is 34.4 secs Computing kpt #: 58 total cpu time spent up to now is 34.9 secs Computing kpt #: 59 total cpu time spent up to now is 35.3 secs Computing kpt #: 60 total cpu time spent up to now is 35.8 secs Computing kpt #: 61 total cpu time spent up to now is 36.2 secs Computing kpt #: 62 total cpu time spent up to now is 36.7 secs Computing kpt #: 63 total cpu time spent up to now is 37.1 secs Computing kpt #: 64 total cpu time spent up to now is 37.6 secs Computing kpt #: 65 total cpu time spent up to now is 38.0 secs Computing kpt #: 66 total cpu time spent up to now is 38.5 secs Computing kpt #: 67 total cpu time spent up to now is 38.9 secs Computing kpt #: 68 total cpu time spent up to now is 39.4 secs Computing kpt #: 69 total cpu time spent up to now is 39.9 secs Computing kpt #: 70 total cpu time spent up to now is 40.3 secs Computing kpt #: 71 total cpu time spent up to now is 40.8 secs Computing kpt #: 72 total cpu time spent up to now is 41.2 secs Computing kpt #: 73 total cpu time spent up to now is 41.7 secs Computing kpt #: 74 total cpu time spent up to now is 42.2 secs Computing kpt #: 75 total cpu time spent up to now is 42.7 secs Computing kpt #: 76 total cpu time spent up to now is 43.1 secs Computing kpt #: 77 total cpu time spent up to now is 43.6 secs Computing kpt #: 78 total cpu time spent up to now is 44.1 secs Computing kpt #: 79 total cpu time spent up to now is 44.5 secs Computing kpt #: 80 total cpu time spent up to now is 45.0 secs Computing kpt #: 81 total cpu time spent up to now is 45.5 secs Computing kpt #: 82 total cpu time spent up to now is 46.0 secs Computing kpt #: 83 total cpu time spent up to now is 46.5 secs Computing kpt #: 84 total cpu time spent up to now is 47.0 secs Computing kpt #: 85 total cpu time spent up to now is 47.4 secs Computing kpt #: 86 total cpu time spent up to now is 47.9 secs Computing kpt #: 87 total cpu time spent up to now is 48.5 secs Computing kpt #: 88 total cpu time spent up to now is 49.0 secs Computing kpt #: 89 total cpu time spent up to now is 49.5 secs Computing kpt #: 90 total cpu time spent up to now is 50.0 secs Computing kpt #: 91 total cpu time spent up to now is 50.5 secs Computing kpt #: 92 total cpu time spent up to now is 51.1 secs Computing kpt #: 93 total cpu time spent up to now is 51.6 secs Computing kpt #: 94 total cpu time spent up to now is 52.1 secs Computing kpt #: 95 total cpu time spent up to now is 52.7 secs Computing kpt #: 96 total cpu time spent up to now is 53.2 secs Computing kpt #: 97 total cpu time spent up to now is 53.8 secs Computing kpt #: 98 total cpu time spent up to now is 54.3 secs Computing kpt #: 99 total cpu time spent up to now is 54.9 secs Computing kpt #: 100 total cpu time spent up to now is 55.5 secs Computing kpt #: 101 total cpu time spent up to now is 56.1 secs Computing kpt #: 102 total cpu time spent up to now is 56.8 secs Computing kpt #: 103 total cpu time spent up to now is 57.4 secs Computing kpt #: 104 total cpu time spent up to now is 58.1 secs Computing kpt #: 105 total cpu time spent up to now is 58.7 secs Computing kpt #: 106 total cpu time spent up to now is 59.4 secs Computing kpt #: 107 total cpu time spent up to now is 60.1 secs Computing kpt #: 108 total cpu time spent up to now is 60.7 secs Computing kpt #: 109 total cpu time spent up to now is 61.2 secs Computing kpt #: 110 total cpu time spent up to now is 61.8 secs Computing kpt #: 111 total cpu time spent up to now is 62.3 secs Computing kpt #: 112 total cpu time spent up to now is 62.8 secs Computing kpt #: 113 total cpu time spent up to now is 63.3 secs Computing kpt #: 114 total cpu time spent up to now is 63.8 secs Computing kpt #: 115 total cpu time spent up to now is 64.3 secs Computing kpt #: 116 total cpu time spent up to now is 64.8 secs Computing kpt #: 117 total cpu time spent up to now is 65.3 secs Computing kpt #: 118 total cpu time spent up to now is 65.9 secs Computing kpt #: 119 total cpu time spent up to now is 66.3 secs Computing kpt #: 120 total cpu time spent up to now is 66.8 secs Computing kpt #: 121 total cpu time spent up to now is 67.3 secs Computing kpt #: 122 total cpu time spent up to now is 67.8 secs Computing kpt #: 123 total cpu time spent up to now is 68.2 secs Computing kpt #: 124 total cpu time spent up to now is 68.7 secs Computing kpt #: 125 total cpu time spent up to now is 69.2 secs Computing kpt #: 126 total cpu time spent up to now is 69.7 secs Computing kpt #: 127 total cpu time spent up to now is 70.1 secs Computing kpt #: 128 total cpu time spent up to now is 70.6 secs Computing kpt #: 129 total cpu time spent up to now is 71.1 secs Computing kpt #: 130 total cpu time spent up to now is 71.6 secs Computing kpt #: 131 total cpu time spent up to now is 72.1 secs Computing kpt #: 132 total cpu time spent up to now is 72.7 secs Computing kpt #: 133 total cpu time spent up to now is 73.3 secs Computing kpt #: 134 total cpu time spent up to now is 74.0 secs Computing kpt #: 135 total cpu time spent up to now is 74.8 secs Computing kpt #: 136 total cpu time spent up to now is 75.7 secs Computing kpt #: 137 total cpu time spent up to now is 76.5 secs Computing kpt #: 138 total cpu time spent up to now is 77.3 secs Computing kpt #: 139 total cpu time spent up to now is 78.0 secs Computing kpt #: 140 total cpu time spent up to now is 78.8 secs Computing kpt #: 141 total cpu time spent up to now is 79.5 secs Computing kpt #: 142 total cpu time spent up to now is 80.2 secs Computing kpt #: 143 total cpu time spent up to now is 80.9 secs Computing kpt #: 144 total cpu time spent up to now is 81.5 secs Computing kpt #: 145 total cpu time spent up to now is 82.2 secs Computing kpt #: 146 total cpu time spent up to now is 82.8 secs Computing kpt #: 147 total cpu time spent up to now is 83.4 secs Computing kpt #: 148 total cpu time spent up to now is 84.0 secs Computing kpt #: 149 total cpu time spent up to now is 84.7 secs Computing kpt #: 150 total cpu time spent up to now is 85.4 secs Computing kpt #: 151 total cpu time spent up to now is 86.1 secs Computing kpt #: 152 total cpu time spent up to now is 86.7 secs Computing kpt #: 153 total cpu time spent up to now is 87.3 secs Computing kpt #: 154 total cpu time spent up to now is 87.8 secs Computing kpt #: 155 total cpu time spent up to now is 88.3 secs Computing kpt #: 156 total cpu time spent up to now is 88.9 secs Computing kpt #: 157 total cpu time spent up to now is 89.4 secs Computing kpt #: 158 total cpu time spent up to now is 90.0 secs Computing kpt #: 159 total cpu time spent up to now is 90.7 secs Computing kpt #: 160 total cpu time spent up to now is 91.3 secs Computing kpt #: 161 total cpu time spent up to now is 92.2 secs Computing kpt #: 162 total cpu time spent up to now is 93.1 secs Computing kpt #: 163 total cpu time spent up to now is 93.9 secs Computing kpt #: 164 total cpu time spent up to now is 94.5 secs Computing kpt #: 165 total cpu time spent up to now is 95.2 secs Computing kpt #: 166 total cpu time spent up to now is 95.7 secs Computing kpt #: 167 total cpu time spent up to now is 96.3 secs Computing kpt #: 168 total cpu time spent up to now is 96.9 secs Computing kpt #: 169 total cpu time spent up to now is 97.5 secs Computing kpt #: 170 total cpu time spent up to now is 98.1 secs Computing kpt #: 171 total cpu time spent up to now is 98.7 secs Computing kpt #: 172 total cpu time spent up to now is 99.3 secs Computing kpt #: 173 total cpu time spent up to now is 100.2 secs Computing kpt #: 174 total cpu time spent up to now is 101.1 secs Computing kpt #: 175 total cpu time spent up to now is 101.9 secs Computing kpt #: 176 total cpu time spent up to now is 102.8 secs Computing kpt #: 177 total cpu time spent up to now is 103.8 secs Computing kpt #: 178 total cpu time spent up to now is 104.6 secs Computing kpt #: 179 total cpu time spent up to now is 105.5 secs Computing kpt #: 180 total cpu time spent up to now is 106.1 secs Computing kpt #: 181 total cpu time spent up to now is 106.7 secs Computing kpt #: 182 total cpu time spent up to now is 107.3 secs Computing kpt #: 183 total cpu time spent up to now is 107.8 secs Computing kpt #: 184 total cpu time spent up to now is 108.5 secs Computing kpt #: 185 total cpu time spent up to now is 109.1 secs Computing kpt #: 186 total cpu time spent up to now is 109.6 secs Computing kpt #: 187 total cpu time spent up to now is 110.1 secs Computing kpt #: 188 total cpu time spent up to now is 110.7 secs Computing kpt #: 189 total cpu time spent up to now is 111.3 secs Computing kpt #: 190 total cpu time spent up to now is 111.9 secs Computing kpt #: 191 total cpu time spent up to now is 112.5 secs Computing kpt #: 192 total cpu time spent up to now is 113.1 secs Computing kpt #: 193 total cpu time spent up to now is 113.7 secs Computing kpt #: 194 total cpu time spent up to now is 114.4 secs Computing kpt #: 195 total cpu time spent up to now is 115.1 secs Computing kpt #: 196 total cpu time spent up to now is 115.7 secs Computing kpt #: 197 total cpu time spent up to now is 116.3 secs Computing kpt #: 198 total cpu time spent up to now is 116.9 secs Computing kpt #: 199 total cpu time spent up to now is 117.6 secs Computing kpt #: 200 total cpu time spent up to now is 118.2 secs Computing kpt #: 201 total cpu time spent up to now is 118.8 secs Computing kpt #: 202 total cpu time spent up to now is 119.5 secs Computing kpt #: 203 total cpu time spent up to now is 120.1 secs Computing kpt #: 204 total cpu time spent up to now is 120.8 secs Computing kpt #: 205 total cpu time spent up to now is 121.4 secs Computing kpt #: 206 total cpu time spent up to now is 122.1 secs Computing kpt #: 207 total cpu time spent up to now is 122.7 secs Computing kpt #: 208 total cpu time spent up to now is 123.3 secs Computing kpt #: 209 total cpu time spent up to now is 123.9 secs Computing kpt #: 210 total cpu time spent up to now is 124.6 secs Computing kpt #: 211 total cpu time spent up to now is 125.2 secs Computing kpt #: 212 total cpu time spent up to now is 125.8 secs Computing kpt #: 213 total cpu time spent up to now is 126.5 secs Computing kpt #: 214 total cpu time spent up to now is 127.3 secs Computing kpt #: 215 total cpu time spent up to now is 128.0 secs Computing kpt #: 216 total cpu time spent up to now is 128.8 secs Computing kpt #: 217 total cpu time spent up to now is 129.5 secs Computing kpt #: 218 total cpu time spent up to now is 130.4 secs Computing kpt #: 219 total cpu time spent up to now is 131.4 secs Computing kpt #: 220 total cpu time spent up to now is 132.1 secs Computing kpt #: 221 total cpu time spent up to now is 132.7 secs Computing kpt #: 222 total cpu time spent up to now is 133.4 secs Computing kpt #: 223 total cpu time spent up to now is 134.0 secs Computing kpt #: 224 total cpu time spent up to now is 134.7 secs Computing kpt #: 225 total cpu time spent up to now is 135.3 secs Computing kpt #: 226 total cpu time spent up to now is 135.9 secs Computing kpt #: 227 total cpu time spent up to now is 136.5 secs Computing kpt #: 228 total cpu time spent up to now is 137.1 secs Computing kpt #: 229 total cpu time spent up to now is 137.7 secs Computing kpt #: 230 total cpu time spent up to now is 138.2 secs Computing kpt #: 231 total cpu time spent up to now is 138.7 secs Computing kpt #: 232 total cpu time spent up to now is 139.2 secs Computing kpt #: 233 total cpu time spent up to now is 139.8 secs Computing kpt #: 234 total cpu time spent up to now is 140.3 secs Computing kpt #: 235 total cpu time spent up to now is 140.7 secs Computing kpt #: 236 total cpu time spent up to now is 141.2 secs Computing kpt #: 237 total cpu time spent up to now is 141.7 secs Computing kpt #: 238 total cpu time spent up to now is 142.5 secs Computing kpt #: 239 total cpu time spent up to now is 143.1 secs Computing kpt #: 240 total cpu time spent up to now is 143.6 secs Computing kpt #: 241 total cpu time spent up to now is 144.1 secs Computing kpt #: 242 total cpu time spent up to now is 144.6 secs Computing kpt #: 243 total cpu time spent up to now is 145.2 secs Computing kpt #: 244 total cpu time spent up to now is 145.7 secs Computing kpt #: 245 total cpu time spent up to now is 146.3 secs Computing kpt #: 246 total cpu time spent up to now is 146.8 secs Computing kpt #: 247 total cpu time spent up to now is 147.3 secs Computing kpt #: 248 total cpu time spent up to now is 147.9 secs Computing kpt #: 249 total cpu time spent up to now is 148.4 secs Computing kpt #: 250 total cpu time spent up to now is 148.9 secs Computing kpt #: 251 total cpu time spent up to now is 149.5 secs Computing kpt #: 252 total cpu time spent up to now is 150.0 secs Computing kpt #: 253 total cpu time spent up to now is 150.5 secs Computing kpt #: 254 total cpu time spent up to now is 151.1 secs Computing kpt #: 255 total cpu time spent up to now is 151.6 secs Computing kpt #: 256 total cpu time spent up to now is 152.1 secs Computing kpt #: 257 total cpu time spent up to now is 152.6 secs Computing kpt #: 258 total cpu time spent up to now is 153.1 secs Computing kpt #: 259 total cpu time spent up to now is 153.6 secs Computing kpt #: 260 total cpu time spent up to now is 154.1 secs Computing kpt #: 261 total cpu time spent up to now is 154.6 secs Computing kpt #: 262 total cpu time spent up to now is 155.1 secs Computing kpt #: 263 total cpu time spent up to now is 155.6 secs Computing kpt #: 264 total cpu time spent up to now is 156.1 secs Computing kpt #: 265 total cpu time spent up to now is 156.5 secs Computing kpt #: 266 total cpu time spent up to now is 157.0 secs Computing kpt #: 267 total cpu time spent up to now is 157.5 secs Computing kpt #: 268 total cpu time spent up to now is 158.0 secs Computing kpt #: 269 total cpu time spent up to now is 158.4 secs Computing kpt #: 270 total cpu time spent up to now is 158.9 secs Computing kpt #: 271 total cpu time spent up to now is 159.4 secs Computing kpt #: 272 total cpu time spent up to now is 159.9 secs Computing kpt #: 273 total cpu time spent up to now is 160.3 secs Computing kpt #: 274 total cpu time spent up to now is 160.8 secs Computing kpt #: 275 total cpu time spent up to now is 161.3 secs Computing kpt #: 276 total cpu time spent up to now is 161.7 secs Computing kpt #: 277 total cpu time spent up to now is 162.2 secs Computing kpt #: 278 total cpu time spent up to now is 162.6 secs Computing kpt #: 279 total cpu time spent up to now is 163.1 secs Computing kpt #: 280 total cpu time spent up to now is 163.6 secs Computing kpt #: 281 total cpu time spent up to now is 164.0 secs Computing kpt #: 282 total cpu time spent up to now is 164.5 secs Computing kpt #: 283 total cpu time spent up to now is 164.9 secs Computing kpt #: 284 total cpu time spent up to now is 165.4 secs Computing kpt #: 285 total cpu time spent up to now is 165.8 secs Computing kpt #: 286 total cpu time spent up to now is 166.3 secs Computing kpt #: 287 total cpu time spent up to now is 166.8 secs Computing kpt #: 288 total cpu time spent up to now is 167.2 secs Computing kpt #: 289 total cpu time spent up to now is 167.7 secs Computing kpt #: 290 total cpu time spent up to now is 168.1 secs Computing kpt #: 291 total cpu time spent up to now is 168.6 secs Computing kpt #: 292 total cpu time spent up to now is 169.1 secs Computing kpt #: 293 total cpu time spent up to now is 169.5 secs Computing kpt #: 294 total cpu time spent up to now is 170.0 secs Computing kpt #: 295 total cpu time spent up to now is 170.5 secs Computing kpt #: 296 total cpu time spent up to now is 170.9 secs Computing kpt #: 297 total cpu time spent up to now is 171.4 secs Computing kpt #: 298 total cpu time spent up to now is 171.8 secs Computing kpt #: 299 total cpu time spent up to now is 172.3 secs Computing kpt #: 300 total cpu time spent up to now is 172.8 secs Computing kpt #: 301 total cpu time spent up to now is 173.3 secs Computing kpt #: 302 total cpu time spent up to now is 173.8 secs Computing kpt #: 303 total cpu time spent up to now is 174.2 secs Computing kpt #: 304 total cpu time spent up to now is 174.7 secs Computing kpt #: 305 total cpu time spent up to now is 175.2 secs Computing kpt #: 306 total cpu time spent up to now is 175.7 secs Computing kpt #: 307 total cpu time spent up to now is 176.2 secs Computing kpt #: 308 total cpu time spent up to now is 176.6 secs Computing kpt #: 309 total cpu time spent up to now is 177.1 secs Computing kpt #: 310 total cpu time spent up to now is 177.6 secs Computing kpt #: 311 total cpu time spent up to now is 178.1 secs Computing kpt #: 312 total cpu time spent up to now is 178.6 secs Computing kpt #: 313 total cpu time spent up to now is 179.1 secs Computing kpt #: 314 total cpu time spent up to now is 179.5 secs Computing kpt #: 315 total cpu time spent up to now is 180.0 secs Computing kpt #: 316 total cpu time spent up to now is 180.5 secs Computing kpt #: 317 total cpu time spent up to now is 181.0 secs Computing kpt #: 318 total cpu time spent up to now is 181.5 secs Computing kpt #: 319 total cpu time spent up to now is 182.0 secs Computing kpt #: 320 total cpu time spent up to now is 182.5 secs Computing kpt #: 321 total cpu time spent up to now is 183.0 secs Computing kpt #: 322 total cpu time spent up to now is 183.6 secs Computing kpt #: 323 total cpu time spent up to now is 184.2 secs Computing kpt #: 324 total cpu time spent up to now is 184.8 secs Computing kpt #: 325 total cpu time spent up to now is 185.4 secs Computing kpt #: 326 total cpu time spent up to now is 186.0 secs Computing kpt #: 327 total cpu time spent up to now is 186.6 secs Computing kpt #: 328 total cpu time spent up to now is 187.5 secs Computing kpt #: 329 total cpu time spent up to now is 188.4 secs Computing kpt #: 330 total cpu time spent up to now is 189.5 secs Computing kpt #: 331 total cpu time spent up to now is 190.5 secs Computing kpt #: 332 total cpu time spent up to now is 191.1 secs Computing kpt #: 333 total cpu time spent up to now is 191.7 secs Computing kpt #: 334 total cpu time spent up to now is 192.3 secs Computing kpt #: 335 total cpu time spent up to now is 192.9 secs Computing kpt #: 336 total cpu time spent up to now is 193.5 secs Computing kpt #: 337 total cpu time spent up to now is 194.1 secs Computing kpt #: 338 total cpu time spent up to now is 194.7 secs Computing kpt #: 339 total cpu time spent up to now is 195.2 secs Computing kpt #: 340 total cpu time spent up to now is 195.8 secs Computing kpt #: 341 total cpu time spent up to now is 196.3 secs Computing kpt #: 342 total cpu time spent up to now is 196.8 secs Computing kpt #: 343 total cpu time spent up to now is 197.3 secs Computing kpt #: 344 total cpu time spent up to now is 197.8 secs Computing kpt #: 345 total cpu time spent up to now is 198.4 secs Computing kpt #: 346 total cpu time spent up to now is 198.9 secs Computing kpt #: 347 total cpu time spent up to now is 199.6 secs Computing kpt #: 348 total cpu time spent up to now is 200.2 secs Computing kpt #: 349 total cpu time spent up to now is 200.7 secs Computing kpt #: 350 total cpu time spent up to now is 201.1 secs Computing kpt #: 351 total cpu time spent up to now is 201.6 secs Computing kpt #: 352 total cpu time spent up to now is 202.0 secs Computing kpt #: 353 total cpu time spent up to now is 202.5 secs Computing kpt #: 354 total cpu time spent up to now is 202.9 secs Computing kpt #: 355 total cpu time spent up to now is 203.4 secs Computing kpt #: 356 total cpu time spent up to now is 203.8 secs Computing kpt #: 357 total cpu time spent up to now is 204.3 secs Computing kpt #: 358 total cpu time spent up to now is 204.7 secs Computing kpt #: 359 total cpu time spent up to now is 205.2 secs Computing kpt #: 360 total cpu time spent up to now is 205.6 secs Computing kpt #: 361 total cpu time spent up to now is 206.1 secs Computing kpt #: 362 total cpu time spent up to now is 206.6 secs Computing kpt #: 363 total cpu time spent up to now is 207.0 secs ethr = 2.78E-08, avg # of iterations = 20.1 total cpu time spent up to now is 207.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2991 PWs) bands (ev): -24.7168 -24.7168 -7.5003 -7.5003 -6.3986 -6.3986 -6.3248 -6.3248 -1.6977 -1.6977 0.3991 0.3991 4.9988 4.9988 6.6661 6.6661 6.9505 6.9505 6.9554 6.9554 7.6606 7.6606 7.6622 7.6622 8.0172 8.0172 9.7783 9.7783 9.8145 9.8145 10.4635 10.4635 10.6266 10.6266 10.6748 10.6748 11.3407 11.3407 11.5144 11.5144 13.2095 13.2095 13.2185 13.2185 k = 0.0000 0.0000 0.0201 ( 2977 PWs) bands (ev): -24.7167 -24.7167 -7.5004 -7.5004 -6.3986 -6.3986 -6.3251 -6.3251 -1.6965 -1.6965 0.3990 0.3990 5.0002 5.0002 6.6667 6.6667 6.9489 6.9489 6.9551 6.9551 7.6589 7.6589 7.6613 7.6613 8.0182 8.0182 9.7785 9.7785 9.8144 9.8144 10.4626 10.4626 10.6252 10.6252 10.6733 10.6733 11.3417 11.3417 11.5133 11.5133 13.2012 13.2012 13.2190 13.2190 k = 0.0000 0.0000 0.0401 ( 2977 PWs) bands (ev): -24.7166 -24.7166 -7.5008 -7.5008 -6.3987 -6.3987 -6.3260 -6.3260 -1.6927 -1.6927 0.3986 0.3986 5.0046 5.0046 6.6686 6.6686 6.9427 6.9427 6.9552 6.9552 7.6499 7.6499 7.6620 7.6620 8.0209 8.0209 9.7790 9.7790 9.8141 9.8141 10.4595 10.4595 10.6208 10.6208 10.6686 10.6686 11.3443 11.3443 11.5099 11.5099 13.1704 13.1704 13.2279 13.2279 k = 0.0000 0.0000 0.0602 ( 2985 PWs) bands (ev): -24.7165 -24.7165 -7.5013 -7.5013 -6.3988 -6.3988 -6.3276 -6.3276 -1.6863 -1.6863 0.3979 0.3979 5.0118 5.0118 6.6718 6.6718 6.9316 6.9316 6.9563 6.9563 7.6349 7.6349 7.6634 7.6634 8.0254 8.0254 9.7797 9.7797 9.8135 9.8135 10.4543 10.4543 10.6132 10.6132 10.6608 10.6608 11.3489 11.3489 11.5043 11.5043 13.1226 13.1226 13.2439 13.2439 k = 0.0000 0.0000 0.0803 ( 2985 PWs) bands (ev): -24.7163 -24.7163 -7.5022 -7.5022 -6.3991 -6.3991 -6.3297 -6.3297 -1.6775 -1.6775 0.3969 0.3969 5.0218 5.0218 6.6762 6.6762 6.9160 6.9160 6.9580 6.9580 7.6141 7.6141 7.6654 7.6654 8.0316 8.0316 9.7805 9.7805 9.8130 9.8130 10.4472 10.4472 10.6028 10.6028 10.6503 10.6503 11.3551 11.3551 11.4967 11.4967 13.0631 13.0631 13.2662 13.2662 k = 0.0000 0.0000 0.1003 ( 2989 PWs) bands (ev): -24.7160 -24.7160 -7.5032 -7.5032 -6.3994 -6.3994 -6.3323 -6.3323 -1.6662 -1.6662 0.3957 0.3957 5.0346 5.0346 6.6818 6.6818 6.8962 6.8962 6.9603 6.9603 7.5876 7.5876 7.6678 7.6678 8.0393 8.0393 9.7811 9.7811 9.8128 9.8128 10.4381 10.4381 10.5893 10.5893 10.6371 10.6371 11.3628 11.3628 11.4871 11.4871 12.9958 12.9958 13.2946 13.2946 k = 0.0000 0.0000 0.1204 ( 2997 PWs) bands (ev): -24.7156 -24.7156 -7.5045 -7.5045 -6.3997 -6.3997 -6.3356 -6.3356 -1.6525 -1.6525 0.3942 0.3942 5.0502 5.0502 6.6887 6.6887 6.8726 6.8726 6.9631 6.9631 7.5557 7.5557 7.6707 7.6707 8.0485 8.0485 9.7811 9.7811 9.8131 9.8131 10.4272 10.4272 10.5730 10.5730 10.6214 10.6214 11.3715 11.3715 11.4759 11.4759 12.9235 12.9235 13.3285 13.3285 k = 0.0000 0.0000 0.1405 ( 3009 PWs) bands (ev): -24.7152 -24.7152 -7.5060 -7.5060 -6.4001 -6.4001 -6.3394 -6.3394 -1.6364 -1.6364 0.3925 0.3925 5.0683 5.0683 6.6967 6.6967 6.8453 6.8453 6.9663 6.9663 7.5186 7.5186 7.6740 7.6740 8.0591 8.0591 9.7805 9.7805 9.8142 9.8142 10.4144 10.4144 10.5537 10.5537 10.6038 10.6038 11.3813 11.3813 11.4633 11.4633 12.8482 12.8482 13.3678 13.3678 k = 0.0000 0.0000 0.1606 ( 3009 PWs) bands (ev): -24.7148 -24.7148 -7.5077 -7.5077 -6.4006 -6.4006 -6.3436 -6.3436 -1.6179 -1.6179 0.3907 0.3907 5.0890 5.0890 6.7061 6.7061 6.8147 6.8147 6.9701 6.9701 7.4768 7.4768 7.6777 7.6777 8.0709 8.0709 9.7790 9.7790 9.8161 9.8161 10.4001 10.4001 10.5317 10.5317 10.5843 10.5843 11.3917 11.3917 11.4494 11.4494 12.7713 12.7713 13.4121 13.4121 k = 0.0000 0.0000 0.1806 ( 3007 PWs) bands (ev): -24.7142 -24.7142 -7.5096 -7.5096 -6.4011 -6.4011 -6.3484 -6.3484 -1.5971 -1.5971 0.3886 0.3886 5.1120 5.1120 6.7166 6.7166 6.7812 6.7812 6.9744 6.9744 7.4303 7.4303 7.6817 7.6817 8.0838 8.0838 9.7766 9.7766 9.8186 9.8186 10.3841 10.3841 10.5071 10.5071 10.5633 10.5633 11.4021 11.4021 11.4350 11.4350 12.6940 12.6940 13.4609 13.4610 k = 0.0000 0.0000 0.2007 ( 3003 PWs) bands (ev): -24.7137 -24.7137 -7.5118 -7.5118 -6.4017 -6.4017 -6.3536 -6.3536 -1.5740 -1.5740 0.3865 0.3865 5.1373 5.1373 6.7281 6.7281 6.7453 6.7453 6.9792 6.9792 7.3797 7.3797 7.6858 7.6858 8.0977 8.0977 9.7736 9.7736 9.8216 9.8216 10.3667 10.3667 10.4801 10.4801 10.5409 10.5409 11.4085 11.4085 11.4239 11.4239 12.6170 12.6170 13.5141 13.5141 k = 0.0000 0.0000 0.2208 ( 3007 PWs) bands (ev): -24.7130 -24.7130 -7.5141 -7.5141 -6.4024 -6.4024 -6.3592 -6.3592 -1.5488 -1.5488 0.3842 0.3842 5.1647 5.1647 6.7062 6.7062 6.7415 6.7415 6.9845 6.9845 7.3253 7.3253 7.6901 7.6901 8.1124 8.1124 9.7698 9.7698 9.8248 9.8248 10.3479 10.3479 10.4508 10.4508 10.5173 10.5173 11.3978 11.3978 11.4294 11.4294 12.5410 12.5410 13.5711 13.5711 k = 0.0000 0.0000 0.2408 ( 3007 PWs) bands (ev): -24.7123 -24.7123 -7.5167 -7.5167 -6.4031 -6.4031 -6.3651 -6.3651 -1.5215 -1.5215 0.3818 0.3818 5.1938 5.1938 6.6660 6.6660 6.7555 6.7555 6.9902 6.9902 7.2674 7.2674 7.6944 7.6944 8.1278 8.1278 9.7655 9.7655 9.8278 9.8278 10.3278 10.3278 10.4197 10.4197 10.4928 10.4928 11.3811 11.3811 11.4401 11.4401 12.4665 12.4665 13.6316 13.6316 k = 0.0000 0.0000 0.2609 ( 3007 PWs) bands (ev): -24.7116 -24.7116 -7.5194 -7.5194 -6.4040 -6.4040 -6.3713 -6.3713 -1.4922 -1.4922 0.3794 0.3794 5.2245 5.2245 6.6242 6.6242 6.7708 6.7708 6.9963 6.9963 7.2063 7.2063 7.6987 7.6987 8.1439 8.1439 9.7607 9.7607 9.8304 9.8304 10.3065 10.3065 10.3869 10.3869 10.4675 10.4675 11.3631 11.3631 11.4513 11.4513 12.3941 12.3941 13.6931 13.6931 k = 0.0000 0.0000 0.2810 ( 3003 PWs) bands (ev): -24.7108 -24.7108 -7.5224 -7.5224 -6.4051 -6.4051 -6.3776 -6.3776 -1.4609 -1.4609 0.3769 0.3769 5.2565 5.2565 6.5816 6.5816 6.7871 6.7871 7.0028 7.0028 7.1426 7.1426 7.7029 7.7029 8.1606 8.1606 9.7551 9.7551 9.8324 9.8324 10.2841 10.2841 10.3530 10.3530 10.4418 10.4418 11.3445 11.3445 11.4624 11.4624 12.3243 12.3243 13.6693 13.6693 k = 0.0000 0.0000 0.3010 ( 2999 PWs) bands (ev): -24.7100 -24.7100 -7.5255 -7.5255 -6.4067 -6.4067 -6.3838 -6.3838 -1.4278 -1.4278 0.3745 0.3745 5.2893 5.2893 6.5385 6.5385 6.8046 6.8046 7.0097 7.0097 7.0765 7.0765 7.7069 7.7069 8.1778 8.1778 9.7489 9.7489 9.8334 9.8334 10.2604 10.2604 10.3185 10.3185 10.4157 10.4157 11.3254 11.3254 11.4731 11.4731 12.2574 12.2574 13.6320 13.6320 k = 0.0000 0.0000 0.3211 ( 3011 PWs) bands (ev): -24.7091 -24.7091 -7.5288 -7.5288 -6.4089 -6.4089 -6.3895 -6.3895 -1.3928 -1.3928 0.3722 0.3722 5.3225 5.3225 6.4956 6.4956 6.8230 6.8230 7.0068 7.0068 7.0185 7.0185 7.7107 7.7107 8.1951 8.1951 9.7417 9.7417 9.8331 9.8331 10.2350 10.2350 10.2839 10.2839 10.3894 10.3894 11.3058 11.3058 11.4832 11.4832 12.1938 12.1938 13.5918 13.5918 k = 0.0000 0.0000 0.3412 ( 3005 PWs) bands (ev): -24.7082 -24.7082 -7.5322 -7.5322 -6.4124 -6.4124 -6.3942 -6.3942 -1.3563 -1.3563 0.3699 0.3699 5.3556 5.3556 6.4537 6.4537 6.8425 6.8425 6.9379 6.9379 7.0252 7.0252 7.7142 7.7142 8.2128 8.2128 9.7336 9.7336 9.8314 9.8314 10.2074 10.2074 10.2504 10.2504 10.3635 10.3635 11.2859 11.2859 11.4929 11.4929 12.1339 12.1339 13.5489 13.5489 k = 0.0000 0.0000 0.3612 ( 3001 PWs) bands (ev): -24.7072 -24.7072 -7.5358 -7.5358 -6.4176 -6.4176 -6.3975 -6.3975 -1.3181 -1.3181 0.3678 0.3678 5.3877 5.3877 6.4135 6.4135 6.8620 6.8620 6.8675 6.8675 7.0334 7.0334 7.7173 7.7173 8.2305 8.2305 9.7243 9.7243 9.8279 9.8279 10.1766 10.1766 10.2192 10.2192 10.3381 10.3381 11.2657 11.2657 11.5021 11.5021 12.0781 12.0781 13.5030 13.5030 k = 0.0000 0.0000 0.3813 ( 3001 PWs) bands (ev): -24.7062 -24.7062 -7.5395 -7.5395 -6.4240 -6.4240 -6.3995 -6.3995 -1.2786 -1.2786 0.3658 0.3658 5.4180 5.4180 6.3760 6.3760 6.7939 6.7939 6.8844 6.8844 7.0418 7.0418 7.7201 7.7201 8.2484 8.2484 9.7136 9.7136 9.8223 9.8223 10.1426 10.1426 10.1907 10.1907 10.3134 10.3134 11.2451 11.2451 11.5107 11.5107 12.0266 12.0266 13.4542 13.4542 k = 0.0000 0.0000 0.4014 ( 3001 PWs) bands (ev): -24.7052 -24.7052 -7.5433 -7.5433 -6.4314 -6.4314 -6.4009 -6.4009 -1.2376 -1.2376 0.3640 0.3640 5.4456 5.4456 6.3424 6.3424 6.7205 6.7205 6.9065 6.9065 7.0507 7.0507 7.7224 7.7224 8.2662 8.2662 9.7012 9.7012 9.8144 9.8144 10.1062 10.1062 10.1645 10.1645 10.2899 10.2899 11.2242 11.2242 11.5187 11.5187 11.9798 11.9798 13.4021 13.4021 k = 0.0000 0.0000 0.4214 ( 2997 PWs) bands (ev): -24.7042 -24.7042 -7.5473 -7.5473 -6.4392 -6.4392 -6.4018 -6.4018 -1.1955 -1.1955 0.3625 0.3625 5.4691 5.4691 6.3140 6.3140 6.6465 6.6465 6.9294 6.9294 7.0598 7.0598 7.7243 7.7243 8.2838 8.2838 9.6871 9.6871 9.8041 9.8041 10.0684 10.0684 10.1399 10.1399 10.2677 10.2677 11.2030 11.2030 11.5261 11.5261 11.9377 11.9377 13.3464 13.3464 k = 0.0000 0.0000 0.4415 ( 2997 PWs) bands (ev): -24.7031 -24.7031 -7.5513 -7.5513 -6.4473 -6.4473 -6.4024 -6.4024 -1.1522 -1.1522 0.3611 0.3611 5.4874 5.4874 6.2920 6.2920 6.5721 6.5721 6.9528 6.9528 7.0692 7.0692 7.7259 7.7259 8.3012 8.3012 9.6709 9.6709 9.7912 9.7912 10.0297 10.0297 10.1164 10.1164 10.2472 10.2472 11.1814 11.1814 11.5328 11.5328 11.9006 11.9006 13.2869 13.2869 k = 0.0000 0.0000 0.4616 ( 2995 PWs) bands (ev): -24.7020 -24.7020 -7.5555 -7.5555 -6.4556 -6.4556 -6.4028 -6.4028 -1.1079 -1.1079 0.3601 0.3601 5.4991 5.4991 6.2777 6.2777 6.4977 6.4977 6.9768 6.9768 7.0789 7.0789 7.7272 7.7272 8.3183 8.3183 9.6526 9.6526 9.7757 9.7757 9.9908 9.9908 10.0938 10.0938 10.2285 10.2285 11.1595 11.1595 11.5390 11.5390 11.8685 11.8685 13.2232 13.2232 k = 0.0000 0.0000 0.4817 ( 3001 PWs) bands (ev): -24.7009 -24.7009 -7.5597 -7.5597 -6.4641 -6.4641 -6.4031 -6.4031 -1.0628 -1.0628 0.3593 0.3593 5.5035 5.5035 6.2721 6.2721 6.4234 6.4234 7.0011 7.0011 7.0888 7.0888 7.7282 7.7282 8.3349 8.3349 9.6321 9.6321 9.7574 9.7574 9.9519 9.9519 10.0721 10.0721 10.2118 10.2118 11.1372 11.1372 11.5446 11.5446 11.8414 11.8414 13.1550 13.1550 k = 0.0000 0.0000 0.5017 ( 3005 PWs) bands (ev): -24.6997 -24.6997 -7.5639 -7.5639 -6.4725 -6.4725 -6.4033 -6.4033 -1.0170 -1.0170 0.3589 0.3589 5.5003 5.5003 6.2754 6.2754 6.3494 6.3494 7.0256 7.0256 7.0989 7.0989 7.7292 7.7292 8.3509 8.3509 9.6095 9.6095 9.7366 9.7366 9.9130 9.9130 10.0512 10.0512 10.1972 10.1972 11.1145 11.1145 11.5496 11.5496 11.8190 11.8190 13.0819 13.0819 k = 0.0000 0.0000 0.5218 ( 3009 PWs) bands (ev): -24.6986 -24.6986 -7.5682 -7.5682 -6.4810 -6.4810 -6.4035 -6.4035 -0.9706 -0.9706 0.3588 0.3588 5.4896 5.4896 6.2758 6.2758 6.2877 6.2877 7.0500 7.0500 7.1093 7.1093 7.7302 7.7302 8.3663 8.3663 9.5848 9.5848 9.7131 9.7131 9.8744 9.8744 10.0312 10.0312 10.1848 10.1848 11.0913 11.0913 11.5542 11.5542 11.8011 11.8011 13.0039 13.0039 k = 0.0000 0.0000 0.5419 ( 3013 PWs) bands (ev): -24.6974 -24.6974 -7.5725 -7.5725 -6.4895 -6.4895 -6.4035 -6.4035 -0.9237 -0.9237 0.3590 0.3590 5.4723 5.4723 6.2031 6.2031 6.3076 6.3076 7.0740 7.0740 7.1199 7.1199 7.7316 7.7316 8.3808 8.3808 9.5583 9.5583 9.6875 9.6875 9.8364 9.8364 10.0119 10.0119 10.1745 10.1745 11.0677 11.0677 11.5584 11.5584 11.7875 11.7875 12.9209 12.9209 k = 0.0000 0.0000 0.5619 ( 3017 PWs) bands (ev): -24.6962 -24.6962 -7.5769 -7.5769 -6.4979 -6.4979 -6.4034 -6.4034 -0.8765 -0.8765 0.3596 0.3596 5.4497 5.4497 6.1312 6.1312 6.3342 6.3342 7.0973 7.0973 7.1308 7.1308 7.7335 7.7335 8.3945 8.3945 9.5299 9.5299 9.6598 9.6598 9.7989 9.7989 9.9936 9.9936 10.1662 10.1662 11.0437 11.0437 11.5622 11.5622 11.7777 11.7777 12.8328 12.8328 k = 0.0000 0.0000 0.5820 ( 3015 PWs) bands (ev): -24.6951 -24.6951 -7.5812 -7.5812 -6.5062 -6.5062 -6.4033 -6.4033 -0.8291 -0.8291 0.3606 0.3606 5.4232 5.4232 6.0603 6.0603 6.3662 6.3662 7.1192 7.1192 7.1422 7.1422 7.7363 7.7363 8.4073 8.4073 9.5002 9.5002 9.6302 9.6302 9.7621 9.7621 9.9763 9.9763 10.1599 10.1599 11.0191 11.0191 11.5656 11.5656 11.7711 11.7711 12.7401 12.7401 k = 0.0000 0.0000 0.6021 ( 3023 PWs) bands (ev): -24.6939 -24.6939 -7.5855 -7.5855 -6.5143 -6.5143 -6.4032 -6.4032 -0.7818 -0.7818 0.3619 0.3619 5.3938 5.3938 5.9905 5.9905 6.4021 6.4021 7.1385 7.1385 7.1550 7.1550 7.7405 7.7405 8.4189 8.4189 9.4693 9.4693 9.5991 9.5991 9.7260 9.7260 9.9599 9.9599 10.1552 10.1552 10.9940 10.9940 11.5686 11.5686 11.7673 11.7673 12.6429 12.6429 k = 0.0000 0.0000 0.6221 ( 3031 PWs) bands (ev): -24.6927 -24.6927 -7.5898 -7.5898 -6.5224 -6.5224 -6.4029 -6.4029 -0.7345 -0.7345 0.3636 0.3636 5.3628 5.3628 5.9221 5.9221 6.4408 6.4408 7.1540 7.1540 7.1700 7.1700 7.7464 7.7464 8.4292 8.4292 9.4376 9.4376 9.5666 9.5666 9.6908 9.6908 9.9446 9.9446 10.1519 10.1519 10.9684 10.9684 11.5713 11.5713 11.7656 11.7656 12.5417 12.5417 k = 0.0000 0.0000 0.6422 ( 3031 PWs) bands (ev): -24.6916 -24.6916 -7.5941 -7.5941 -6.5303 -6.5303 -6.4027 -6.4027 -0.6876 -0.6876 0.3657 0.3657 5.3311 5.3311 5.8551 5.8551 6.4814 6.4814 7.1665 7.1665 7.1858 7.1858 7.7545 7.7545 8.4383 8.4383 9.4053 9.4053 9.5330 9.5330 9.6566 9.6566 9.9304 9.9304 10.1502 10.1502 10.9423 10.9423 11.5737 11.5737 11.7654 11.7654 12.4371 12.4371 k = 0.0000 0.0000 0.6623 ( 3031 PWs) bands (ev): -24.6904 -24.6904 -7.5983 -7.5983 -6.5380 -6.5380 -6.4023 -6.4023 -0.6411 -0.6411 0.3681 0.3681 5.2994 5.2994 5.7897 5.7897 6.5229 6.5229 7.1776 7.1776 7.2005 7.2005 7.7652 7.7652 8.4461 8.4461 9.3725 9.3725 9.4987 9.4987 9.6236 9.6236 9.9175 9.9175 10.1496 10.1496 10.9157 10.9157 11.5758 11.5758 11.7661 11.7661 12.3295 12.3295 k = 0.0000 0.0000 0.6823 ( 3023 PWs) bands (ev): -24.6893 -24.6893 -7.6024 -7.6024 -6.5455 -6.5455 -6.4020 -6.4020 -0.5951 -0.5951 0.3708 0.3708 5.2684 5.2684 5.7259 5.7259 6.5646 6.5646 7.1880 7.1880 7.2130 7.2130 7.7789 7.7789 8.4525 8.4525 9.3396 9.3396 9.4639 9.4639 9.5918 9.5918 9.9059 9.9059 10.1501 10.1501 10.8886 10.8886 11.5775 11.5775 11.7671 11.7671 12.2195 12.2195 k = 0.0000 0.0000 0.7024 ( 3027 PWs) bands (ev): -24.6881 -24.6881 -7.6064 -7.6064 -6.5528 -6.5528 -6.4016 -6.4016 -0.5499 -0.5499 0.3738 0.3738 5.2386 5.2386 5.6640 5.6640 6.6058 6.6058 7.1979 7.1979 7.2229 7.2229 7.7957 7.7957 8.4574 8.4574 9.3068 9.3068 9.4287 9.4287 9.5614 9.5614 9.8956 9.8956 10.1515 10.1515 10.8609 10.8609 11.5790 11.5790 11.7678 11.7678 12.1077 12.1077 k = 0.0000 0.0000 0.7225 ( 3031 PWs) bands (ev): -24.6870 -24.6870 -7.6104 -7.6104 -6.5599 -6.5599 -6.4011 -6.4011 -0.5056 -0.5056 0.3772 0.3772 5.2103 5.2103 5.6038 5.6038 6.6461 6.6461 7.2071 7.2071 7.2301 7.2301 7.8160 7.8160 8.4609 8.4609 9.2742 9.2742 9.3935 9.3935 9.5324 9.5324 9.8867 9.8867 10.1535 10.1535 10.8328 10.8328 11.5800 11.5800 11.7678 11.7678 11.9947 11.9947 k = 0.0000 0.0000 0.7426 ( 3027 PWs) bands (ev): -24.6859 -24.6859 -7.6142 -7.6142 -6.5667 -6.5667 -6.4007 -6.4007 -0.4623 -0.4623 0.3808 0.3808 5.1840 5.1840 5.5457 5.5457 6.6849 6.6849 7.2154 7.2154 7.2350 7.2350 7.8396 7.8396 8.4630 8.4630 9.2420 9.2420 9.3585 9.3585 9.5050 9.5050 9.8793 9.8793 10.1561 10.1561 10.8042 10.8042 11.5806 11.5806 11.7664 11.7664 11.8811 11.8811 k = 0.0000 0.0000 0.7626 ( 3035 PWs) bands (ev): -24.6849 -24.6849 -7.6180 -7.6180 -6.5733 -6.5733 -6.4002 -6.4002 -0.4201 -0.4201 0.3847 0.3847 5.1599 5.1599 5.4896 5.4896 6.7217 6.7217 7.2215 7.2215 7.2389 7.2389 7.8664 7.8664 8.4637 8.4637 9.2104 9.2104 9.3238 9.3238 9.4793 9.4793 9.8733 9.8733 10.1592 10.1592 10.7750 10.7750 11.5802 11.5802 11.7588 11.7588 11.7725 11.7725 k = 0.0000 0.0000 0.7827 ( 3035 PWs) bands (ev): -24.6838 -24.6838 -7.6216 -7.6216 -6.5796 -6.5796 -6.3997 -6.3997 -0.3793 -0.3793 0.3888 0.3888 5.1381 5.1381 5.4356 5.4356 6.7563 6.7563 7.2236 7.2236 7.2439 7.2439 7.8963 7.8963 8.4631 8.4631 9.1795 9.1795 9.2897 9.2897 9.4554 9.4554 9.8688 9.8688 10.1628 10.1628 10.7455 10.7455 11.5758 11.5758 11.6569 11.6569 11.7602 11.7602 k = 0.0000 0.0000 0.8028 ( 3027 PWs) bands (ev): -24.6828 -24.6828 -7.6251 -7.6251 -6.5856 -6.5856 -6.3992 -6.3992 -0.3398 -0.3398 0.3930 0.3930 5.1188 5.1188 5.3838 5.3838 6.7883 6.7883 7.2215 7.2215 7.2505 7.2505 7.9289 7.9289 8.4614 8.4614 9.1496 9.1496 9.2565 9.2565 9.4336 9.4336 9.8660 9.8660 10.1666 10.1666 10.7156 10.7156 11.5240 11.5240 11.5949 11.5949 11.7540 11.7540 k = 0.0000 0.0000 0.8228 ( 3023 PWs) bands (ev): -24.6819 -24.6819 -7.6285 -7.6285 -6.5914 -6.5914 -6.3987 -6.3987 -0.3019 -0.3019 0.3974 0.3974 5.1021 5.1021 5.3343 5.3343 6.8173 6.8173 7.2163 7.2163 7.2579 7.2579 7.9638 7.9638 8.4586 8.4586 9.1206 9.1206 9.2242 9.2242 9.4138 9.4138 9.8648 9.8648 10.1706 10.1706 10.6854 10.6854 11.4166 11.4166 11.5888 11.5888 11.7463 11.7463 k = 0.0000 0.0000 0.8429 ( 3031 PWs) bands (ev): -24.6809 -24.6809 -7.6317 -7.6317 -6.5969 -6.5969 -6.3981 -6.3981 -0.2657 -0.2657 0.4019 0.4019 5.0881 5.0881 5.2871 5.2871 6.8432 6.8432 7.2091 7.2091 7.2653 7.2653 8.0005 8.0005 8.4548 8.4548 9.0926 9.0926 9.1930 9.1930 9.3962 9.3962 9.8651 9.8651 10.1747 10.1747 10.6548 10.6548 11.3051 11.3051 11.5876 11.5876 11.7370 11.7370 k = 0.0000 0.0000 0.8630 ( 3027 PWs) bands (ev): -24.6800 -24.6800 -7.6347 -7.6347 -6.6021 -6.6021 -6.3976 -6.3976 -0.2312 -0.2312 0.4065 0.4065 5.0767 5.0767 5.2424 5.2424 6.8657 6.8657 7.2005 7.2005 7.2726 7.2726 8.0388 8.0388 8.4502 8.4502 9.0660 9.0660 9.1631 9.1631 9.3810 9.3810 9.8671 9.8671 10.1790 10.1790 10.6240 10.6240 11.1939 11.1939 11.5871 11.5871 11.7265 11.7265 k = 0.0000 0.0000 0.8830 ( 3025 PWs) bands (ev): -24.6792 -24.6792 -7.6376 -7.6376 -6.6069 -6.6069 -6.3971 -6.3971 -0.1985 -0.1985 0.4111 0.4111 5.0680 5.0680 5.2001 5.2001 6.8848 6.8848 7.1908 7.1908 7.2796 7.2796 8.0782 8.0782 8.4451 8.4451 9.0406 9.0406 9.1346 9.1346 9.3685 9.3685 9.8706 9.8706 10.1832 10.1832 10.5931 10.5931 11.0840 11.0840 11.5867 11.5867 11.7150 11.7150 k = 0.0000 0.0000 0.9031 ( 3017 PWs) bands (ev): -24.6784 -24.6784 -7.6404 -7.6404 -6.6115 -6.6115 -6.3966 -6.3966 -0.1678 -0.1678 0.4156 0.4156 5.0617 5.0617 5.1603 5.1603 6.9005 6.9005 7.1805 7.1805 7.2862 7.2862 8.1182 8.1182 8.4395 8.4395 9.0165 9.0165 9.1077 9.1077 9.3589 9.3589 9.8758 9.8758 10.1874 10.1874 10.5620 10.5620 10.9757 10.9757 11.5865 11.5865 11.7030 11.7030 k = 0.0000 0.0000 0.9232 ( 3021 PWs) bands (ev): -24.6776 -24.6776 -7.6429 -7.6429 -6.6158 -6.6158 -6.3961 -6.3961 -0.1390 -0.1390 0.4201 0.4201 5.0577 5.0577 5.1231 5.1231 6.9127 6.9127 7.1698 7.1698 7.2924 7.2924 8.1583 8.1583 8.4337 8.4337 8.9938 8.9938 9.0825 9.0825 9.3524 9.3524 9.8825 9.8825 10.1915 10.1915 10.5309 10.5309 10.8691 10.8691 11.5861 11.5861 11.6908 11.6908 k = 0.0000 0.0000 0.9432 ( 3029 PWs) bands (ev): -24.6769 -24.6769 -7.6453 -7.6453 -6.6198 -6.6198 -6.3957 -6.3957 -0.1122 -0.1122 0.4245 0.4245 5.0558 5.0558 5.0885 5.0885 6.9216 6.9216 7.1590 7.1590 7.2981 7.2981 8.1981 8.1981 8.4278 8.4278 8.9725 8.9725 9.0590 9.0590 9.3494 9.3494 9.8906 9.8906 10.1955 10.1955 10.4996 10.4996 10.7647 10.7647 11.5859 11.5859 11.6785 11.6785 k = 0.0000 0.0000 0.9633 ( 3017 PWs) bands (ev): -24.6762 -24.6762 -7.6475 -7.6475 -6.6234 -6.6234 -6.3952 -6.3952 -0.0876 -0.0876 0.4287 0.4287 5.0529 5.0529 5.0597 5.0597 6.9275 6.9275 7.1483 7.1483 7.3034 7.3034 8.2371 8.2371 8.4220 8.4220 8.9528 8.9528 9.0375 9.0375 9.3502 9.3502 9.9003 9.9003 10.1993 10.1993 10.4684 10.4684 10.6629 10.6629 11.5856 11.5856 11.6667 11.6667 k = 0.0000 0.0000 0.9834 ( 3011 PWs) bands (ev): -24.6756 -24.6756 -7.6496 -7.6496 -6.6267 -6.6267 -6.3948 -6.3948 -0.0650 -0.0650 0.4327 0.4327 5.0264 5.0264 5.0587 5.0587 6.9305 6.9305 7.1379 7.1379 7.3083 7.3083 8.2749 8.2749 8.4163 8.4163 8.9347 8.9347 9.0179 9.0179 9.3551 9.3551 9.9115 9.9115 10.2029 10.2029 10.4369 10.4369 10.5642 10.5642 11.5853 11.5853 11.6553 11.6553 k = 0.0000 0.0000 1.0034 ( 3015 PWs) bands (ev): -24.6751 -24.6751 -7.6514 -7.6514 -6.6297 -6.6297 -6.3945 -6.3945 -0.0446 -0.0446 0.4365 0.4365 4.9999 4.9999 5.0618 5.0618 6.9311 6.9311 7.1280 7.1280 7.3127 7.3127 8.3107 8.3107 8.4110 8.4110 8.9181 8.9181 9.0002 9.0002 9.3644 9.3644 9.9238 9.9238 10.2062 10.2062 10.4035 10.4035 10.4704 10.4704 11.5850 11.5850 11.6447 11.6447 k = 0.0000 0.0000 1.0235 ( 3013 PWs) bands (ev): -24.6746 -24.6746 -7.6531 -7.6531 -6.6324 -6.6324 -6.3941 -6.3941 -0.0263 -0.0263 0.4399 0.4399 4.9760 4.9760 5.0660 5.0660 6.9297 6.9297 7.1188 7.1188 7.3166 7.3166 8.3440 8.3440 8.4063 8.4063 8.9032 8.9032 8.9846 8.9846 9.3786 9.3786 9.9373 9.9373 10.2092 10.2092 10.3543 10.3543 10.3961 10.3961 11.5848 11.5848 11.6350 11.6350 k = 0.0000 0.0000 1.0436 ( 3011 PWs) bands (ev): -24.6741 -24.6741 -7.6546 -7.6546 -6.6348 -6.6348 -6.3938 -6.3938 -0.0102 -0.0102 0.4431 0.4431 4.9548 4.9548 5.0710 5.0710 6.9268 6.9268 7.1103 7.1103 7.3201 7.3201 8.3737 8.3737 8.4027 8.4027 8.8899 8.8899 8.9709 8.9709 9.3978 9.3978 9.9518 9.9518 10.2117 10.2117 10.2735 10.2735 10.3575 10.3575 11.5846 11.5846 11.6264 11.6264 k = 0.0000 0.0000 1.0637 ( 3007 PWs) bands (ev): -24.6737 -24.6737 -7.6558 -7.6558 -6.6369 -6.6369 -6.3935 -6.3935 0.0038 0.0038 0.4459 0.4459 4.9364 4.9364 5.0763 5.0763 6.9228 6.9228 7.1027 7.1027 7.3231 7.3231 8.3920 8.3920 8.4077 8.4077 8.8783 8.8783 8.9592 8.9592 9.4223 9.4223 9.9670 9.9670 10.1865 10.1865 10.2157 10.2157 10.3279 10.3279 11.5844 11.5844 11.6187 11.6187 k = 0.0000 0.0000 1.0837 ( 3009 PWs) bands (ev): -24.6734 -24.6734 -7.6569 -7.6569 -6.6386 -6.6386 -6.3933 -6.3933 0.0155 0.0155 0.4484 0.4484 4.9208 4.9208 5.0815 5.0815 6.9184 6.9184 7.0962 7.0962 7.3256 7.3256 8.3916 8.3916 8.4283 8.4283 8.8685 8.8685 8.9494 8.9494 9.4518 9.4518 9.9826 9.9826 10.1047 10.1047 10.2169 10.2169 10.3011 10.3011 11.5843 11.5843 11.6121 11.6121 k = 0.0000 0.0000 1.1038 ( 3013 PWs) bands (ev): -24.6731 -24.6731 -7.6578 -7.6578 -6.6401 -6.6401 -6.3931 -6.3931 0.0252 0.0252 0.4504 0.4504 4.9080 4.9080 5.0863 5.0863 6.9139 6.9139 7.0907 7.0907 7.3277 7.3277 8.3892 8.3892 8.4475 8.4475 8.8605 8.8605 8.9414 8.9414 9.4861 9.4861 9.9979 9.9979 10.0266 10.0266 10.2185 10.2185 10.2767 10.2767 11.5842 11.5842 11.6066 11.6066 k = 0.0000 0.0000 1.1239 ( 3013 PWs) bands (ev): -24.6729 -24.6729 -7.6585 -7.6585 -6.6412 -6.6412 -6.3929 -6.3929 0.0327 0.0327 0.4520 0.4520 4.8980 4.8980 5.0905 5.0905 6.9100 6.9100 7.0863 7.0863 7.3293 7.3293 8.3870 8.3870 8.4628 8.4628 8.8542 8.8542 8.9353 8.9353 9.5241 9.5241 9.9539 9.9539 10.0126 10.0126 10.2198 10.2198 10.2553 10.2553 11.5843 11.5843 11.6022 11.6022 k = 0.0000 0.0000 1.1439 ( 3014 PWs) bands (ev): -24.6727 -24.6727 -7.6590 -7.6590 -6.6420 -6.6420 -6.3928 -6.3928 0.0380 0.0380 0.4532 0.4532 4.8909 4.8909 5.0936 5.0936 6.9068 6.9068 7.0832 7.0832 7.3304 7.3304 8.3854 8.3854 8.4738 8.4738 8.8497 8.8497 8.9310 8.9310 9.5634 9.5634 9.8899 9.8899 10.0249 10.0249 10.2206 10.2206 10.2382 10.2382 11.5844 11.5844 11.5990 11.5990 k = 0.0000 0.0000 1.1640 ( 3018 PWs) bands (ev): -24.6727 -24.6727 -7.6593 -7.6593 -6.6425 -6.6425 -6.3928 -6.3928 0.0412 0.0412 0.4539 0.4539 4.8866 4.8866 5.0956 5.0956 6.9048 6.9048 7.0813 7.0813 7.3311 7.3311 8.3843 8.3843 8.4805 8.4805 8.8470 8.8470 8.9284 8.9284 9.5976 9.5976 9.8408 9.8408 10.0335 10.0335 10.2207 10.2207 10.2271 10.2271 11.5845 11.5845 11.5971 11.5971 k = 0.0000 0.0000 1.1841 ( 3016 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0423 0.0423 0.4541 0.4541 4.8852 4.8852 5.0963 5.0963 6.9042 6.9042 7.0806 7.0806 7.3313 7.3313 8.3840 8.3840 8.4827 8.4827 8.8461 8.8461 8.9275 8.9275 9.6128 9.6128 9.8206 9.8206 10.0366 10.0366 10.2200 10.2200 10.2241 10.2241 11.5846 11.5846 11.5965 11.5965 k = 0.0000 0.0000 1.1841 ( 3016 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0423 0.0423 0.4541 0.4541 4.8852 4.8852 5.0963 5.0963 6.9042 6.9042 7.0806 7.0806 7.3313 7.3313 8.3840 8.3840 8.4827 8.4827 8.8461 8.8461 8.9275 8.9275 9.6128 9.6128 9.8206 9.8206 10.0366 10.0366 10.2200 10.2200 10.2241 10.2241 11.5846 11.5846 11.5965 11.5965 k =-0.0078 0.0166 1.1841 ( 3012 PWs) bands (ev): -24.6727 -24.6727 -7.6593 -7.6593 -6.6425 -6.6425 -6.3928 -6.3928 0.0425 0.0425 0.4525 0.4525 4.8871 4.8871 5.0974 5.0974 6.9034 6.9034 7.0807 7.0807 7.3305 7.3305 8.3848 8.3848 8.4808 8.4808 8.8446 8.8446 8.9281 8.9281 9.6156 9.6156 9.8203 9.8203 10.0380 10.0380 10.2196 10.2196 10.2256 10.2256 11.5854 11.5854 11.5966 11.5966 k =-0.0155 0.0333 1.1841 ( 3010 PWs) bands (ev): -24.6727 -24.6727 -7.6591 -7.6591 -6.6421 -6.6421 -6.3929 -6.3929 0.0431 0.0431 0.4476 0.4476 4.8928 4.8928 5.1007 5.1007 6.9012 6.9012 7.0807 7.0807 7.3279 7.3279 8.3867 8.3867 8.4751 8.4751 8.8401 8.8401 8.9299 8.9299 9.6237 9.6237 9.8194 9.8194 10.0420 10.0420 10.2191 10.2191 10.2299 10.2299 11.5881 11.5881 11.5968 11.5968 k =-0.0233 0.0499 1.1841 ( 3018 PWs) bands (ev): -24.6729 -24.6729 -7.6587 -7.6587 -6.6414 -6.6414 -6.3930 -6.3930 0.0440 0.0440 0.4394 0.4394 4.9022 4.9022 5.1063 5.1063 6.8974 6.8974 7.0808 7.0808 7.3238 7.3238 8.3899 8.3899 8.4655 8.4655 8.8332 8.8332 8.9327 8.9327 9.6368 9.6368 9.8177 9.8177 10.0487 10.0487 10.2183 10.2183 10.2368 10.2368 11.5919 11.5919 11.5975 11.5975 k =-0.0310 0.0665 1.1841 ( 3024 PWs) bands (ev): -24.6730 -24.6730 -7.6581 -7.6581 -6.6404 -6.6404 -6.3932 -6.3932 0.0453 0.0453 0.4282 0.4282 4.9152 4.9152 5.1140 5.1140 6.8920 6.8920 7.0809 7.0809 7.3183 7.3183 8.3943 8.3943 8.4522 8.4522 8.8244 8.8244 8.9367 8.9367 9.6544 9.6544 9.8158 9.8158 10.0580 10.0580 10.2174 10.2174 10.2461 10.2461 11.5948 11.5948 11.6009 11.6009 k =-0.0388 0.0832 1.1841 ( 3020 PWs) bands (ev): -24.6733 -24.6733 -7.6574 -7.6574 -6.6392 -6.6392 -6.3935 -6.3935 0.0470 0.0470 0.4138 0.4138 4.9318 4.9318 5.1240 5.1240 6.8848 6.8848 7.0810 7.0810 7.3116 7.3116 8.3992 8.3992 8.4357 8.4357 8.8146 8.8146 8.9419 8.9419 9.6759 9.6759 9.8135 9.8135 10.0700 10.0700 10.2162 10.2162 10.2582 10.2582 11.5957 11.5957 11.6083 11.6083 k =-0.0465 0.0998 1.1841 ( 3024 PWs) bands (ev): -24.6735 -24.6735 -7.6565 -7.6565 -6.6377 -6.6377 -6.3938 -6.3938 0.0490 0.0490 0.3965 0.3965 4.9518 4.9518 5.1361 5.1361 6.8757 6.8757 7.0812 7.0812 7.3040 7.3040 8.4000 8.4000 8.4205 8.4205 8.8042 8.8042 8.9482 8.9482 9.7005 9.7005 9.8110 9.8110 10.0845 10.0845 10.2149 10.2149 10.2726 10.2726 11.5961 11.5961 11.6180 11.6180 k =-0.0543 0.1165 1.1841 ( 3014 PWs) bands (ev): -24.6739 -24.6739 -7.6554 -7.6554 -6.6360 -6.6360 -6.3942 -6.3942 0.0513 0.0513 0.3764 0.3764 4.9749 4.9749 5.1505 5.1505 6.8645 6.8645 7.0813 7.0813 7.2959 7.2959 8.3821 8.3821 8.4216 8.4216 8.7939 8.7939 8.9557 8.9557 9.7277 9.7277 9.8085 9.8085 10.1017 10.1017 10.2133 10.2133 10.2893 10.2893 11.5964 11.5964 11.6297 11.6297 k =-0.0543 0.1165 1.1841 ( 3014 PWs) bands (ev): -24.6739 -24.6739 -7.6554 -7.6554 -6.6360 -6.6360 -6.3942 -6.3942 0.0513 0.0513 0.3764 0.3764 4.9749 4.9749 5.1505 5.1505 6.8645 6.8645 7.0813 7.0813 7.2959 7.2959 8.3821 8.3821 8.4216 8.4216 8.7939 8.7939 8.9557 8.9557 9.7277 9.7277 9.8085 9.8085 10.1017 10.1017 10.2133 10.2133 10.2893 10.2893 11.5964 11.5964 11.6297 11.6297 k =-0.0603 0.1294 1.1698 ( 3018 PWs) bands (ev): -24.6742 -24.6742 -7.6544 -7.6544 -6.6343 -6.6343 -6.3945 -6.3945 0.0527 0.0527 0.3589 0.3589 4.9957 4.9957 5.1627 5.1627 6.8548 6.8548 7.0817 7.0817 7.2892 7.2892 8.3600 8.3600 8.4283 8.4283 8.7865 8.7865 8.9627 8.9627 9.7339 9.7339 9.8244 9.8244 10.1134 10.1134 10.2154 10.2154 10.3047 10.3047 11.5969 11.5969 11.6402 11.6402 k =-0.0663 0.1423 1.1555 ( 3018 PWs) bands (ev): -24.6745 -24.6745 -7.6533 -7.6533 -6.6324 -6.6324 -6.3949 -6.3949 0.0533 0.0533 0.3397 0.3397 5.0193 5.0193 5.1751 5.1751 6.8450 6.8450 7.0826 7.0826 7.2820 7.2820 8.3336 8.3336 8.4369 8.4369 8.7802 8.7802 8.9712 8.9712 9.7227 9.7227 9.8605 9.8605 10.1193 10.1193 10.2253 10.2253 10.3235 10.3235 11.5982 11.5982 11.6521 11.6521 k =-0.0723 0.1553 1.1413 ( 3013 PWs) bands (ev): -24.6749 -24.6749 -7.6520 -7.6520 -6.6302 -6.6302 -6.3952 -6.3952 0.0530 0.0530 0.3191 0.3191 5.0458 5.0458 5.1875 5.1875 6.8352 6.8352 7.0840 7.0840 7.2745 7.2745 8.3039 8.3039 8.4470 8.4470 8.7750 8.7750 8.9813 8.9813 9.7100 9.7100 9.8998 9.8998 10.1196 10.1196 10.2426 10.2426 10.3468 10.3468 11.6004 11.6004 11.6655 11.6655 k =-0.0783 0.1682 1.1270 ( 3018 PWs) bands (ev): -24.6754 -24.6754 -7.6505 -7.6505 -6.6277 -6.6277 -6.3955 -6.3955 0.0520 0.0520 0.2970 0.2970 5.0747 5.0747 5.1998 5.1998 6.8258 6.8258 7.0858 7.0858 7.2667 7.2667 8.2715 8.2715 8.4583 8.4583 8.7707 8.7707 8.9929 8.9929 9.6996 9.6996 9.9366 9.9366 10.1162 10.1162 10.2651 10.2651 10.3751 10.3751 11.6036 11.6036 11.6805 11.6805 k =-0.0844 0.1811 1.1127 ( 3018 PWs) bands (ev): -24.6759 -24.6759 -7.6490 -7.6490 -6.6250 -6.6250 -6.3958 -6.3958 0.0502 0.0502 0.2738 0.2738 5.1059 5.1059 5.2118 5.2118 6.8168 6.8168 7.0880 7.0880 7.2587 7.2587 8.2372 8.2372 8.4709 8.4709 8.7674 8.7674 9.0060 9.0060 9.6923 9.6923 9.9689 9.9689 10.1111 10.1111 10.2910 10.2910 10.4090 10.4090 11.6079 11.6079 11.6974 11.6974 k =-0.0904 0.1940 1.0985 ( 3022 PWs) bands (ev): -24.6765 -24.6765 -7.6473 -7.6473 -6.6221 -6.6221 -6.3960 -6.3960 0.0477 0.0477 0.2495 0.2495 5.1391 5.1391 5.2232 5.2232 6.8085 6.8085 7.0904 7.0904 7.2504 7.2504 8.2014 8.2014 8.4848 8.4848 8.7650 8.7650 9.0206 9.0206 9.6881 9.6881 9.9955 9.9955 10.1053 10.1053 10.3190 10.3190 10.4490 10.4490 11.6135 11.6135 11.7161 11.7161 k =-0.0964 0.2070 1.0842 ( 3026 PWs) bands (ev): -24.6771 -24.6771 -7.6456 -7.6456 -6.6190 -6.6190 -6.3961 -6.3961 0.0445 0.0445 0.2243 0.2243 5.1741 5.1741 5.2339 5.2339 6.8012 6.8012 7.0931 7.0931 7.2420 7.2420 8.1648 8.1648 8.4998 8.4998 8.7634 8.7634 9.0368 9.0368 9.6866 9.6866 10.0159 10.0159 10.0998 10.0998 10.3484 10.3484 10.4946 10.4946 11.6205 11.6205 11.7370 11.7370 k =-0.1024 0.2199 1.0700 ( 3022 PWs) bands (ev): -24.6777 -24.6777 -7.6438 -7.6438 -6.6158 -6.6158 -6.3961 -6.3961 0.0407 0.0407 0.1984 0.1984 5.2104 5.2104 5.2437 5.2437 6.7950 6.7950 7.0958 7.0958 7.2335 7.2335 8.1279 8.1279 8.5160 8.5160 8.7626 8.7626 9.0545 9.0545 9.6875 9.6875 10.0297 10.0297 10.0958 10.0958 10.3786 10.3786 10.5456 10.5456 11.6291 11.6291 11.7601 11.7601 k =-0.1085 0.2328 1.0557 ( 3024 PWs) bands (ev): -24.6784 -24.6784 -7.6419 -7.6419 -6.6124 -6.6124 -6.3959 -6.3959 0.0363 0.0363 0.1719 0.1719 5.2464 5.2464 5.2540 5.2540 6.7900 6.7900 7.0986 7.0986 7.2249 7.2249 8.0910 8.0910 8.5334 8.5334 8.7626 8.7626 9.0738 9.0738 9.6904 9.6904 10.0365 10.0365 10.0945 10.0945 10.4091 10.4091 10.6011 10.6011 11.6392 11.6392 11.7854 11.7854 k =-0.1145 0.2458 1.0414 ( 3027 PWs) bands (ev): -24.6791 -24.6791 -7.6401 -7.6401 -6.6090 -6.6090 -6.3955 -6.3955 0.0314 0.0314 0.1450 0.1450 5.2587 5.2587 5.2876 5.2876 6.7866 6.7866 7.1013 7.1013 7.2163 7.2163 8.0547 8.0547 8.5519 8.5519 8.7635 8.7635 9.0944 9.0944 9.6947 9.6947 10.0364 10.0364 10.0962 10.0962 10.4396 10.4396 10.6605 10.6605 11.6511 11.6511 11.8131 11.8131 k =-0.1205 0.2587 1.0272 ( 3025 PWs) bands (ev): -24.6799 -24.6799 -7.6382 -7.6382 -6.6056 -6.6056 -6.3949 -6.3949 0.0260 0.0260 0.1178 0.1178 5.2648 5.2648 5.3267 5.3267 6.7847 6.7847 7.1039 7.1039 7.2076 7.2076 8.0192 8.0192 8.5716 8.5716 8.7651 8.7651 9.1164 9.1164 9.7001 9.7001 10.0314 10.0314 10.1001 10.1001 10.4698 10.4698 10.7231 10.7231 11.6646 11.6646 11.8434 11.8434 k =-0.1265 0.2716 1.0129 ( 3031 PWs) bands (ev): -24.6806 -24.6806 -7.6363 -7.6363 -6.6022 -6.6022 -6.3939 -6.3939 0.0202 0.0202 0.0906 0.0906 5.2691 5.2691 5.3664 5.3664 6.7845 6.7845 7.1063 7.1063 7.1990 7.1990 7.9847 7.9847 8.5923 8.5923 8.7674 8.7674 9.1396 9.1396 9.7059 9.7059 10.0231 10.0231 10.1048 10.1048 10.4995 10.4995 10.7885 10.7885 11.6798 11.6798 11.8761 11.8761 k =-0.1326 0.2846 0.9986 ( 3035 PWs) bands (ev): -24.6814 -24.6814 -7.6345 -7.6345 -6.5988 -6.5988 -6.3927 -6.3927 0.0140 0.0140 0.0633 0.0633 5.2718 5.2718 5.4062 5.4062 6.7860 6.7860 7.1085 7.1085 7.1904 7.1904 7.9516 7.9516 8.6141 8.6141 8.7707 8.7707 9.1641 9.1641 9.7117 9.7117 10.0127 10.0127 10.1098 10.1098 10.5285 10.5285 10.8564 10.8564 11.6966 11.6966 11.9114 11.9114 k =-0.1386 0.2975 0.9844 ( 3035 PWs) bands (ev): -24.6822 -24.6822 -7.6327 -7.6327 -6.5956 -6.5956 -6.3911 -6.3911 0.0074 0.0074 0.0363 0.0363 5.2728 5.2728 5.4460 5.4460 6.7892 6.7892 7.1105 7.1105 7.1821 7.1821 7.9201 7.9201 8.6370 8.6370 8.7747 8.7747 9.1896 9.1896 9.7171 9.7171 10.0007 10.0007 10.1150 10.1150 10.5570 10.5570 10.9264 10.9264 11.7149 11.7149 11.9491 11.9491 k =-0.1446 0.3104 0.9701 ( 3033 PWs) bands (ev): -24.6830 -24.6830 -7.6310 -7.6310 -6.5926 -6.5926 -6.3892 -6.3892 0.0001 0.0001 0.0100 0.0100 5.2721 5.2721 5.4852 5.4852 6.7941 6.7941 7.1122 7.1122 7.1739 7.1739 7.8902 7.8902 8.6609 8.6609 8.7796 8.7796 9.2160 9.2160 9.7217 9.7217 9.9874 9.9874 10.1205 10.1205 10.5849 10.5849 10.9986 10.9986 11.7343 11.7343 11.9892 11.9892 k =-0.1506 0.3233 0.9558 ( 3027 PWs) bands (ev): -24.6838 -24.6838 -7.6293 -7.6293 -6.5897 -6.5897 -6.3869 -6.3869 -0.0179 -0.0179 -0.0053 -0.0053 5.2699 5.2699 5.5239 5.5239 6.8004 6.8004 7.1137 7.1137 7.1660 7.1660 7.8619 7.8619 8.6858 8.6858 8.7854 8.7854 9.2432 9.2432 9.7250 9.7250 9.9729 9.9729 10.1264 10.1264 10.6123 10.6123 11.0729 11.0729 11.7545 11.7545 12.0316 12.0316 k =-0.1567 0.3363 0.9416 ( 3019 PWs) bands (ev): -24.6846 -24.6846 -7.6277 -7.6277 -6.5871 -6.5871 -6.3843 -6.3843 -0.0435 -0.0435 -0.0127 -0.0127 5.2662 5.2662 5.5616 5.5616 6.8082 6.8082 7.1152 7.1152 7.1585 7.1585 7.8354 7.8354 8.7117 8.7117 8.7921 8.7921 9.2708 9.2708 9.7267 9.7267 9.9572 9.9572 10.1329 10.1329 10.6394 10.6394 11.1493 11.1493 11.7750 11.7750 12.0762 12.0762 k =-0.1627 0.3492 0.9273 ( 3024 PWs) bands (ev): -24.6855 -24.6855 -7.6262 -7.6262 -6.5847 -6.5847 -6.3813 -6.3813 -0.0687 -0.0687 -0.0199 -0.0199 5.2610 5.2610 5.5982 5.5982 6.8170 6.8170 7.1165 7.1165 7.1515 7.1515 7.8105 7.8105 8.7383 8.7383 8.7996 8.7996 9.2985 9.2985 9.7267 9.7267 9.9403 9.9403 10.1400 10.1400 10.6664 10.6664 11.2278 11.2278 11.7954 11.7954 12.1228 12.1228 k =-0.1687 0.3621 0.9130 ( 3021 PWs) bands (ev): -24.6863 -24.6863 -7.6248 -7.6248 -6.5826 -6.5826 -6.3779 -6.3779 -0.0932 -0.0932 -0.0271 -0.0271 5.2545 5.2545 5.6334 5.6334 6.8267 6.8267 7.1179 7.1179 7.1451 7.1451 7.7873 7.7873 8.7657 8.7657 8.8082 8.8082 9.3262 9.3262 9.7247 9.7247 9.9223 9.9223 10.1478 10.1478 10.6936 10.6936 11.3084 11.3084 11.8151 11.8151 12.1711 12.1711 k =-0.1747 0.3751 0.8988 ( 3023 PWs) bands (ev): -24.6870 -24.6870 -7.6235 -7.6235 -6.5808 -6.5808 -6.3742 -6.3742 -0.1169 -0.1169 -0.0342 -0.0342 5.2470 5.2470 5.6670 5.6670 6.8371 6.8371 7.1195 7.1195 7.1394 7.1394 7.7656 7.7656 8.7934 8.7934 8.8181 8.8181 9.3535 9.3535 9.7208 9.7208 9.9030 9.9030 10.1563 10.1563 10.7213 10.7213 11.3912 11.3912 11.8335 11.8335 12.2209 12.2209 k =-0.1807 0.3880 0.8845 ( 3027 PWs) bands (ev): -24.6878 -24.6878 -7.6223 -7.6223 -6.5792 -6.5792 -6.3703 -6.3703 -0.1397 -0.1397 -0.0411 -0.0411 5.2386 5.2386 5.6990 5.6990 6.8477 6.8477 7.1214 7.1214 7.1346 7.1346 7.7452 7.7452 8.8185 8.8185 8.8322 8.8322 9.3802 9.3802 9.7151 9.7151 9.8826 9.8826 10.1653 10.1653 10.7498 10.7498 11.4762 11.4762 11.8500 11.8500 12.2719 12.2719 k =-0.1868 0.4009 0.8702 ( 3029 PWs) bands (ev): -24.6886 -24.6886 -7.6212 -7.6212 -6.5779 -6.5779 -6.3661 -6.3661 -0.1616 -0.1616 -0.0480 -0.0480 5.2294 5.2294 5.7290 5.7290 6.8583 6.8583 7.1237 7.1237 7.1308 7.1308 7.7261 7.7261 8.8342 8.8342 8.8573 8.8573 9.4057 9.4057 9.7076 9.7076 9.8611 9.8611 10.1748 10.1748 10.7795 10.7795 11.5633 11.5633 11.8642 11.8642 12.3239 12.3239 k =-0.1928 0.4139 0.8560 ( 3031 PWs) bands (ev): -24.6893 -24.6893 -7.6202 -7.6202 -6.5769 -6.5769 -6.3618 -6.3618 -0.1823 -0.1823 -0.0546 -0.0546 5.2197 5.2197 5.7570 5.7570 6.8685 6.8685 7.1258 7.1258 7.1288 7.1288 7.7081 7.7081 8.8465 8.8465 8.8871 8.8871 9.4299 9.4299 9.6987 9.6987 9.8385 9.8385 10.1845 10.1845 10.8106 10.8106 11.6523 11.6523 11.8757 11.8757 12.3765 12.3765 k =-0.1988 0.4268 0.8417 ( 3029 PWs) bands (ev): -24.6900 -24.6900 -7.6193 -7.6193 -6.5761 -6.5761 -6.3573 -6.3573 -0.2019 -0.2019 -0.0610 -0.0610 5.2097 5.2097 5.7830 5.7830 6.8782 6.8782 7.1256 7.1256 7.1310 7.1310 7.6911 7.6911 8.8587 8.8587 8.9182 8.9182 9.4524 9.4524 9.6886 9.6886 9.8150 9.8150 10.1944 10.1944 10.8435 10.8435 11.7428 11.7428 11.8845 11.8845 12.4295 12.4295 k =-0.2048 0.4397 0.8275 ( 3029 PWs) bands (ev): -24.6906 -24.6906 -7.6184 -7.6184 -6.5755 -6.5755 -6.3529 -6.3529 -0.2204 -0.2204 -0.0672 -0.0672 5.1995 5.1995 5.8067 5.8067 6.8869 6.8869 7.1254 7.1254 7.1352 7.1352 7.6750 7.6750 8.8712 8.8712 8.9500 8.9500 9.4728 9.4728 9.6776 9.6776 9.7905 9.7905 10.2042 10.2042 10.8781 10.8781 11.8328 11.8328 11.8918 11.8918 12.4824 12.4824 k =-0.2109 0.4527 0.8132 ( 3031 PWs) bands (ev): -24.6913 -24.6913 -7.6177 -7.6177 -6.5750 -6.5750 -6.3485 -6.3485 -0.2375 -0.2375 -0.0730 -0.0730 5.1894 5.1894 5.8283 5.8283 6.8945 6.8945 7.1262 7.1262 7.1401 7.1401 7.6597 7.6597 8.8840 8.8840 8.9823 8.9823 9.4909 9.4909 9.6661 9.6661 9.7651 9.7651 10.2137 10.2137 10.9146 10.9146 11.8836 11.8836 11.9360 11.9360 12.5350 12.5350 k =-0.2169 0.4656 0.7989 ( 3033 PWs) bands (ev): -24.6918 -24.6918 -7.6170 -7.6170 -6.5748 -6.5748 -6.3442 -6.3442 -0.2533 -0.2533 -0.0784 -0.0784 5.1795 5.1795 5.8477 5.8477 6.9009 6.9009 7.1282 7.1282 7.1458 7.1458 7.6452 7.6452 8.8969 8.8969 9.0150 9.0150 9.5062 9.5062 9.6545 9.6545 9.7391 9.7391 10.2229 10.2229 10.9528 10.9528 11.8848 11.8848 12.0269 12.0269 12.5867 12.5867 k =-0.2229 0.4785 0.7847 ( 3037 PWs) bands (ev): -24.6924 -24.6924 -7.6165 -7.6165 -6.5746 -6.5746 -6.3400 -6.3400 -0.2678 -0.2678 -0.0834 -0.0834 5.1701 5.1701 5.8649 5.8649 6.9061 6.9061 7.1311 7.1311 7.1521 7.1521 7.6314 7.6314 8.9097 8.9097 9.0480 9.0480 9.5183 9.5183 9.6434 9.6434 9.7127 9.7127 10.2315 10.2315 10.9925 10.9925 11.8800 11.8800 12.1201 12.1201 12.6373 12.6373 k =-0.2289 0.4914 0.7704 ( 3035 PWs) bands (ev): -24.6929 -24.6929 -7.6160 -7.6160 -6.5745 -6.5745 -6.3361 -6.3361 -0.2808 -0.2808 -0.0880 -0.0880 5.1612 5.1612 5.8800 5.8800 6.9102 6.9102 7.1348 7.1348 7.1589 7.1589 7.6184 7.6184 8.9224 8.9224 9.0809 9.0809 9.5270 9.5270 9.6330 9.6330 9.6866 9.6866 10.2395 10.2395 11.0333 11.0333 11.8719 11.8719 12.2123 12.2123 12.6864 12.6864 k =-0.2350 0.5044 0.7561 ( 3035 PWs) bands (ev): -24.6933 -24.6933 -7.6156 -7.6156 -6.5745 -6.5745 -6.3325 -6.3325 -0.2924 -0.2924 -0.0921 -0.0921 5.1530 5.1530 5.8931 5.8931 6.9133 6.9133 7.1390 7.1390 7.1659 7.1659 7.6063 7.6063 8.9345 8.9345 9.1137 9.1137 9.5318 9.5318 9.6227 9.6227 9.6622 9.6622 10.2468 10.2468 11.0745 11.0745 11.8612 11.8612 12.3017 12.3017 12.7338 12.7338 k =-0.2410 0.5173 0.7419 ( 3029 PWs) bands (ev): -24.6937 -24.6937 -7.6152 -7.6152 -6.5746 -6.5746 -6.3293 -6.3293 -0.3026 -0.3026 -0.0957 -0.0957 5.1457 5.1457 5.9042 5.9042 6.9156 6.9156 7.1434 7.1434 7.1729 7.1729 7.5951 7.5951 8.9460 8.9460 9.1461 9.1461 9.5326 9.5326 9.6097 9.6097 9.6433 9.6433 10.2532 10.2532 11.1151 11.1151 11.8484 11.8484 12.3862 12.3862 12.7790 12.7790 k =-0.2470 0.5302 0.7276 ( 3029 PWs) bands (ev): -24.6940 -24.6940 -7.6149 -7.6149 -6.5746 -6.5746 -6.3265 -6.3265 -0.3112 -0.3112 -0.0988 -0.0988 5.1393 5.1393 5.9133 5.9133 6.9171 6.9171 7.1476 7.1476 7.1796 7.1796 7.5851 7.5851 8.9564 8.9564 9.1776 9.1776 9.5297 9.5297 9.5906 9.5906 9.6336 9.6336 10.2588 10.2588 11.1540 11.1540 11.8343 11.8343 12.4636 12.4636 12.8218 12.8218 k =-0.2530 0.5432 0.7133 ( 3032 PWs) bands (ev): -24.6943 -24.6943 -7.6147 -7.6147 -6.5747 -6.5747 -6.3241 -6.3241 -0.3182 -0.3182 -0.1014 -0.1014 5.1339 5.1339 5.9207 5.9207 6.9181 6.9181 7.1515 7.1515 7.1857 7.1857 7.5765 7.5765 8.9655 8.9655 9.2076 9.2076 9.5236 9.5236 9.5693 9.5693 9.6301 9.6301 10.2634 10.2634 11.1898 11.1898 11.8197 11.8197 12.5310 12.5310 12.8615 12.8615 k =-0.2591 0.5561 0.6991 ( 3028 PWs) bands (ev): -24.6945 -24.6945 -7.6145 -7.6145 -6.5748 -6.5748 -6.3223 -6.3223 -0.3238 -0.3238 -0.1034 -0.1034 5.1296 5.1296 5.9263 5.9263 6.9187 6.9187 7.1547 7.1547 7.1909 7.1909 7.5694 7.5694 8.9729 8.9729 9.2350 9.2350 9.5140 9.5140 9.5512 9.5512 9.6292 9.6292 10.2671 10.2671 11.2208 11.2208 11.8060 11.8060 12.5860 12.5860 12.8969 12.8969 k =-0.2651 0.5690 0.6848 ( 3026 PWs) bands (ev): -24.6946 -24.6946 -7.6144 -7.6144 -6.5748 -6.5748 -6.3209 -6.3209 -0.3277 -0.3277 -0.1048 -0.1048 5.1266 5.1266 5.9303 5.9303 6.9191 6.9191 7.1572 7.1572 7.1949 7.1949 7.5642 7.5642 8.9784 8.9784 9.2581 9.2581 9.5014 9.5014 9.5396 9.5396 9.6292 9.6292 10.2697 10.2697 11.2451 11.2451 11.7946 11.7946 12.6263 12.6263 12.9256 12.9256 k =-0.2711 0.5820 0.6705 ( 3030 PWs) bands (ev): -24.6947 -24.6947 -7.6143 -7.6143 -6.5749 -6.5749 -6.3201 -6.3201 -0.3301 -0.3301 -0.1057 -0.1057 5.1247 5.1247 5.9326 5.9326 6.9193 6.9193 7.1586 7.1586 7.1975 7.1975 7.5610 7.5610 8.9818 8.9818 9.2742 9.2742 9.4900 9.4900 9.5337 9.5337 9.6293 9.6293 10.2712 10.2712 11.2606 11.2606 11.7868 11.7868 12.6508 12.6508 12.9447 12.9447 k =-0.2771 0.5949 0.6563 ( 3030 PWs) bands (ev): -24.6948 -24.6948 -7.6143 -7.6143 -6.5749 -6.5749 -6.3198 -6.3198 -0.3309 -0.3309 -0.1060 -0.1060 5.1241 5.1241 5.9333 5.9333 6.9193 6.9193 7.1591 7.1591 7.1984 7.1984 7.5599 7.5599 8.9829 8.9829 9.2803 9.2803 9.4854 9.4854 9.5319 9.5319 9.6294 9.6294 10.2718 10.2718 11.2660 11.2660 11.7840 11.7840 12.6590 12.6590 12.9514 12.9515 k =-0.2771 0.5949 0.6563 ( 3030 PWs) bands (ev): -24.6948 -24.6948 -7.6143 -7.6143 -6.5749 -6.5749 -6.3198 -6.3198 -0.3309 -0.3309 -0.1060 -0.1060 5.1241 5.1241 5.9333 5.9333 6.9193 6.9193 7.1591 7.1591 7.1984 7.1984 7.5599 7.5599 8.9829 8.9829 9.2803 9.2803 9.4854 9.4854 9.5319 9.5319 9.6294 9.6294 10.2718 10.2718 11.2660 11.2660 11.7840 11.7840 12.6590 12.6590 12.9515 12.9515 k =-0.2711 0.5820 0.6420 ( 3034 PWs) bands (ev): -24.6945 -24.6945 -7.6159 -7.6159 -6.5766 -6.5766 -6.3188 -6.3188 -0.2954 -0.2954 -0.1310 -0.1310 5.1209 5.1209 5.9327 5.9327 6.9086 6.9086 7.1433 7.1433 7.2133 7.2133 7.5638 7.5638 9.0294 9.0294 9.2860 9.2860 9.4401 9.4401 9.5119 9.5119 9.6206 9.6206 10.2469 10.2469 11.2236 11.2236 11.7926 11.7926 12.6791 12.6791 12.8996 12.8996 k =-0.2651 0.5690 0.6277 ( 3038 PWs) bands (ev): -24.6943 -24.6943 -7.6171 -7.6171 -6.5779 -6.5779 -6.3180 -6.3180 -0.2603 -0.2603 -0.1588 -0.1588 5.1220 5.1220 5.9345 5.9345 6.8936 6.8936 7.1279 7.1279 7.2284 7.2284 7.5652 7.5652 9.0763 9.0763 9.2906 9.2906 9.3981 9.3981 9.4949 9.4949 9.6149 9.6149 10.2237 10.2237 11.1829 11.1829 11.8023 11.8023 12.6999 12.6999 12.8461 12.8461 k =-0.2591 0.5561 0.6135 ( 3042 PWs) bands (ev): -24.6942 -24.6942 -7.6179 -7.6179 -6.5787 -6.5787 -6.3173 -6.3173 -0.2257 -0.2257 -0.1890 -0.1890 5.1272 5.1272 5.9388 5.9388 6.8743 6.8743 7.1132 7.1132 7.2435 7.2435 7.5640 7.5640 9.1234 9.1234 9.2864 9.2864 9.3676 9.3676 9.4811 9.4811 9.6121 9.6121 10.2023 10.2023 11.1441 11.1441 11.8133 11.8133 12.7206 12.7206 12.7923 12.7923 k =-0.2530 0.5432 0.5992 ( 3038 PWs) bands (ev): -24.6941 -24.6941 -7.6183 -7.6183 -6.5791 -6.5791 -6.3169 -6.3169 -0.2227 -0.2227 -0.1908 -0.1908 5.1366 5.1366 5.9458 5.9458 6.8505 6.8505 7.0991 7.0991 7.2588 7.2588 7.5600 7.5600 9.1706 9.1706 9.2614 9.2614 9.3610 9.3610 9.4704 9.4704 9.6123 9.6123 10.1829 10.1829 11.1073 11.1073 11.8256 11.8256 12.7263 12.7263 12.7532 12.7532 k =-0.2470 0.5302 0.5849 ( 3034 PWs) bands (ev): -24.6941 -24.6941 -7.6183 -7.6183 -6.5790 -6.5790 -6.3166 -6.3166 -0.2577 -0.2577 -0.1575 -0.1575 5.1501 5.1501 5.9555 5.9555 6.8225 6.8225 7.0856 7.0856 7.2741 7.2741 7.5534 7.5534 9.2148 9.2148 9.2248 9.2248 9.3720 9.3720 9.4630 9.4630 9.6153 9.6153 10.1654 10.1654 11.0724 11.0724 11.8394 11.8394 12.6762 12.6762 12.7699 12.7699 k =-0.2410 0.5173 0.5707 ( 3030 PWs) bands (ev): -24.6942 -24.6942 -7.6178 -7.6178 -6.5784 -6.5784 -6.3165 -6.3165 -0.2953 -0.2953 -0.1246 -0.1246 5.1674 5.1674 5.9680 5.9680 6.7905 6.7905 7.0727 7.0727 7.2893 7.2893 7.5441 7.5441 9.1769 9.1769 9.2651 9.2651 9.3911 9.3911 9.4589 9.4589 9.6210 9.6210 10.1499 10.1499 11.0397 11.0397 11.8547 11.8547 12.6204 12.6204 12.7927 12.7927 k =-0.2350 0.5044 0.5564 ( 3028 PWs) bands (ev): -24.6943 -24.6943 -7.6169 -7.6169 -6.5774 -6.5774 -6.3166 -6.3166 -0.3349 -0.3349 -0.0925 -0.0925 5.1885 5.1885 5.9832 5.9832 6.7548 6.7548 7.0605 7.0605 7.3046 7.3046 7.5322 7.5322 9.1312 9.1312 9.3109 9.3109 9.4146 9.4146 9.4586 9.4586 9.6291 9.6291 10.1364 10.1364 11.0092 11.0092 11.8716 11.8716 12.5641 12.5641 12.8165 12.8165 k =-0.2289 0.4914 0.5421 ( 3026 PWs) bands (ev): -24.6945 -24.6945 -7.6156 -7.6156 -6.5759 -6.5759 -6.3170 -6.3170 -0.3764 -0.3764 -0.0612 -0.0612 5.2130 5.2130 6.0011 6.0011 6.7156 6.7156 7.0489 7.0489 7.3199 7.3199 7.5179 7.5179 9.0850 9.0850 9.3545 9.3545 9.4415 9.4415 9.4632 9.4632 9.6395 9.6395 10.1251 10.1251 10.9809 10.9809 11.8902 11.8902 12.5078 12.5078 12.8410 12.8410 k =-0.2229 0.4785 0.5279 ( 3028 PWs) bands (ev): -24.6948 -24.6948 -7.6138 -7.6138 -6.5739 -6.5739 -6.3175 -6.3175 -0.4196 -0.4196 -0.0308 -0.0308 5.2407 5.2407 6.0219 6.0219 6.6736 6.6736 7.0379 7.0379 7.3350 7.3350 7.5012 7.5012 9.0389 9.0389 9.3933 9.3933 9.4681 9.4681 9.4779 9.4779 9.6519 9.6519 10.1159 10.1159 10.9548 10.9548 11.9105 11.9105 12.4520 12.4520 12.8660 12.8660 k =-0.2169 0.4656 0.5136 ( 3020 PWs) bands (ev): -24.6951 -24.6951 -7.6117 -7.6117 -6.5715 -6.5715 -6.3181 -6.3181 -0.4644 -0.4644 -0.0014 -0.0014 5.2712 5.2712 6.0455 6.0455 6.6292 6.6292 7.0277 7.0277 7.3501 7.3501 7.4825 7.4825 8.9931 8.9931 9.4232 9.4232 9.4915 9.4915 9.5094 9.5094 9.6662 9.6662 10.1089 10.1089 10.9312 10.9312 11.9325 11.9325 12.3969 12.3969 12.8916 12.8916 k =-0.2109 0.4526 0.4993 ( 3026 PWs) bands (ev): -24.6955 -24.6955 -7.6092 -7.6092 -6.5686 -6.5686 -6.3190 -6.3190 -0.5104 -0.5104 0.0270 0.0270 5.3042 5.3042 6.0718 6.0718 6.5830 6.5830 7.0180 7.0180 7.3650 7.3650 7.4619 7.4619 8.9476 8.9476 9.4433 9.4433 9.5220 9.5220 9.5471 9.5471 9.6821 9.6821 10.1041 10.1041 10.9102 10.9102 11.9563 11.9563 12.3424 12.3424 12.9178 12.9178 k =-0.2048 0.4397 0.4851 ( 3026 PWs) bands (ev): -24.6959 -24.6959 -7.6063 -7.6063 -6.5652 -6.5652 -6.3200 -6.3200 -0.5575 -0.5575 0.0543 0.0543 5.3391 5.3391 6.1009 6.1009 6.5356 6.5356 7.0089 7.0089 7.3798 7.3798 7.4398 7.4398 8.9027 8.9027 9.4583 9.4583 9.5571 9.5571 9.5883 9.5883 9.6995 9.6995 10.1015 10.1015 10.8918 10.8918 11.9820 11.9820 12.2889 12.2889 12.9445 12.9445 k =-0.1988 0.4268 0.4708 ( 3030 PWs) bands (ev): -24.6964 -24.6964 -7.6032 -7.6032 -6.5614 -6.5614 -6.3211 -6.3211 -0.6055 -0.6055 0.0805 0.0805 5.3755 5.3755 6.1326 6.1326 6.4877 6.4877 7.0005 7.0005 7.3938 7.3938 7.4168 7.4168 8.8583 8.8583 9.4719 9.4719 9.5935 9.5935 9.6314 9.6314 9.7183 9.7183 10.1011 10.1011 10.8762 10.8762 12.0094 12.0094 12.2366 12.2366 12.9720 12.9720 k =-0.1928 0.4138 0.4565 ( 3026 PWs) bands (ev): -24.6970 -24.6970 -7.5997 -7.5997 -6.5572 -6.5572 -6.3225 -6.3225 -0.6542 -0.6542 0.1056 0.1056 5.4126 5.4126 6.1668 6.1668 6.4403 6.4403 6.9928 6.9928 7.3900 7.3900 7.4105 7.4105 8.8147 8.8147 9.4854 9.4854 9.6304 9.6304 9.6749 9.6749 9.7388 9.7388 10.1031 10.1031 10.8637 10.8637 12.0385 12.0385 12.1855 12.1855 13.0001 13.0001 k =-0.1868 0.4009 0.4423 ( 3030 PWs) bands (ev): -24.6976 -24.6976 -7.5959 -7.5959 -6.5525 -6.5525 -6.3239 -6.3239 -0.7034 -0.7034 0.1295 0.1295 5.4496 5.4496 6.2035 6.2035 6.3941 6.3941 6.9856 6.9856 7.3651 7.3651 7.4240 7.4240 8.7716 8.7716 9.4994 9.4994 9.6672 9.6672 9.7168 9.7168 9.7621 9.7621 10.1072 10.1072 10.8544 10.8544 12.0691 12.0691 12.1360 12.1360 13.0291 13.0291 k =-0.1807 0.3880 0.4280 ( 3030 PWs) bands (ev): -24.6982 -24.6982 -7.5920 -7.5920 -6.5473 -6.5473 -6.3255 -6.3255 -0.7530 -0.7530 0.1522 0.1522 5.4855 5.4855 6.2424 6.2424 6.3505 6.3505 6.9790 6.9790 7.3392 7.3392 7.4379 7.4379 8.7294 8.7294 9.5138 9.5138 9.7034 9.7034 9.7531 9.7531 9.7916 9.7916 10.1135 10.1135 10.8485 10.8485 12.0830 12.0830 12.1064 12.1064 13.0588 13.0588 k =-0.1747 0.3750 0.4137 ( 3034 PWs) bands (ev): -24.6989 -24.6989 -7.5878 -7.5878 -6.5417 -6.5417 -6.3271 -6.3271 -0.8026 -0.8026 0.1737 0.1737 5.5189 5.5189 6.2827 6.2827 6.3113 6.3113 6.9731 6.9731 7.3128 7.3128 7.4516 7.4516 8.6880 8.6880 9.5284 9.5284 9.7380 9.7380 9.7822 9.7822 9.8292 9.8292 10.1219 10.1219 10.8464 10.8464 12.0383 12.0383 12.1384 12.1384 13.0895 13.0895 k =-0.1687 0.3621 0.3995 ( 3028 PWs) bands (ev): -24.6996 -24.6996 -7.5834 -7.5834 -6.5357 -6.5357 -6.3289 -6.3289 -0.8522 -0.8522 0.1940 0.1940 5.5481 5.5481 6.2752 6.2752 6.3274 6.3274 6.9677 6.9677 7.2866 7.2866 7.4651 7.4651 8.6475 8.6475 9.5434 9.5434 9.7689 9.7689 9.8093 9.8093 9.8713 9.8713 10.1325 10.1325 10.8480 10.8480 11.9928 11.9928 12.1745 12.1745 13.1212 13.1212 k =-0.1627 0.3492 0.3852 ( 3024 PWs) bands (ev): -24.7003 -24.7003 -7.5790 -7.5790 -6.5293 -6.5293 -6.3307 -6.3307 -0.9016 -0.9016 0.2131 0.2131 5.5713 5.5713 6.2487 6.2487 6.3716 6.3716 6.9630 6.9630 7.2608 7.2608 7.4782 7.4782 8.6079 8.6079 9.5586 9.5586 9.7937 9.7937 9.8391 9.8391 9.9147 9.9147 10.1449 10.1449 10.8537 10.8537 11.9485 11.9485 12.2125 12.2125 13.1538 13.1538 k =-0.1566 0.3362 0.3709 ( 3016 PWs) bands (ev): -24.7011 -24.7011 -7.5744 -7.5744 -6.5225 -6.5225 -6.3326 -6.3326 -0.9505 -0.9505 0.2311 0.2311 5.5864 5.5864 6.2312 6.2312 6.4174 6.4174 6.9588 6.9588 7.2358 7.2358 7.4910 7.4910 8.5692 8.5692 9.5738 9.5738 9.8124 9.8124 9.8723 9.8723 9.9582 9.9582 10.1592 10.1592 10.8634 10.8634 11.9058 11.9058 12.2521 12.2521 13.1875 13.1875 k =-0.1506 0.3233 0.3567 ( 3010 PWs) bands (ev): -24.7019 -24.7019 -7.5698 -7.5698 -6.5154 -6.5154 -6.3345 -6.3345 -0.9990 -0.9990 0.2478 0.2478 5.5919 5.5919 6.2248 6.2248 6.4639 6.4639 6.9551 6.9551 7.2120 7.2120 7.5035 7.5035 8.5314 8.5314 9.5889 9.5889 9.8268 9.8268 9.9074 9.9074 10.0014 10.0014 10.1751 10.1751 10.8772 10.8772 11.8646 11.8646 12.2932 12.2932 13.2222 13.2222 k =-0.1446 0.3104 0.3424 ( 3004 PWs) bands (ev): -24.7027 -24.7027 -7.5651 -7.5651 -6.5080 -6.5080 -6.3365 -6.3365 -1.0467 -1.0467 0.2634 0.2634 5.5872 5.5872 6.2299 6.2299 6.5107 6.5107 6.9519 6.9519 7.1899 7.1899 7.5156 7.5156 8.4948 8.4948 9.6038 9.6038 9.8380 9.8380 9.9429 9.9429 10.0439 10.0439 10.1925 10.1925 10.8951 10.8951 11.8250 11.8250 12.3357 12.3357 13.2580 13.2580 k =-0.1386 0.2974 0.3281 ( 3000 PWs) bands (ev): -24.7036 -24.7036 -7.5605 -7.5605 -6.5003 -6.5003 -6.3384 -6.3384 -1.0936 -1.0936 0.2779 0.2779 5.5727 5.5727 6.2460 6.2460 6.5569 6.5569 6.9492 6.9492 7.1703 7.1703 7.5273 7.5273 8.4591 8.4591 9.6186 9.6186 9.8466 9.8466 9.9784 9.9784 10.0855 10.0855 10.2114 10.2114 10.9169 10.9169 11.7869 11.7869 12.3795 12.3795 13.2948 13.2948 k =-0.1325 0.2845 0.3139 ( 3000 PWs) bands (ev): -24.7044 -24.7044 -7.5559 -7.5559 -6.4924 -6.4924 -6.3403 -6.3403 -1.1395 -1.1395 0.2913 0.2913 5.5501 5.5501 6.2714 6.2714 6.6016 6.6016 6.9470 6.9470 7.1541 7.1541 7.5385 7.5385 8.4245 8.4245 9.6330 9.6330 9.8527 9.8527 10.0135 10.0135 10.1261 10.1261 10.2315 10.2315 10.9423 10.9423 11.7504 11.7504 12.4245 12.4245 13.3325 13.3325 k =-0.1265 0.2716 0.2996 ( 2996 PWs) bands (ev): -24.7053 -24.7053 -7.5514 -7.5514 -6.4843 -6.4843 -6.3422 -6.3422 -1.1843 -1.1843 0.3036 0.3036 5.5214 5.5214 6.3040 6.3040 6.6434 6.6434 6.9452 6.9452 7.1423 7.1423 7.5493 7.5493 8.3910 8.3910 9.6472 9.6472 9.8566 9.8566 10.0482 10.0482 10.1657 10.1657 10.2527 10.2527 10.9711 10.9711 11.7155 11.7155 12.4706 12.4706 13.3710 13.3710 k =-0.1205 0.2586 0.2853 ( 2986 PWs) bands (ev): -24.7061 -24.7061 -7.5469 -7.5469 -6.4761 -6.4761 -6.3439 -6.3439 -1.2279 -1.2279 0.3149 0.3149 5.4883 5.4883 6.3419 6.3419 6.6809 6.6809 6.9438 6.9438 7.1365 7.1365 7.5597 7.5597 8.3587 8.3587 9.6610 9.6610 9.8586 9.8586 10.0823 10.0823 10.2039 10.2039 10.2752 10.2752 11.0028 11.0028 11.6823 11.6823 12.5175 12.5175 13.4101 13.4102 k =-0.1145 0.2457 0.2711 ( 2990 PWs) bands (ev): -24.7070 -24.7070 -7.5426 -7.5426 -6.4679 -6.4679 -6.3456 -6.3456 -1.2701 -1.2701 0.3253 0.3253 5.4525 5.4525 6.3835 6.3835 6.7122 6.7122 6.9428 6.9428 7.1380 7.1380 7.5696 7.5696 8.3275 8.3275 9.6743 9.6743 9.8589 9.8589 10.1155 10.1155 10.2406 10.2406 10.2987 10.2987 11.0371 11.0371 11.6505 11.6505 12.5651 12.5651 13.4496 13.4496 k =-0.1084 0.2328 0.2568 ( 2994 PWs) bands (ev): -24.7078 -24.7078 -7.5385 -7.5385 -6.4597 -6.4597 -6.3470 -6.3470 -1.3108 -1.3108 0.3347 0.3347 5.4152 5.4152 6.4272 6.4272 6.7358 6.7358 6.9422 6.9422 7.1481 7.1481 7.5790 7.5790 8.2976 8.2976 9.6872 9.6872 9.8578 9.8578 10.1479 10.1479 10.2756 10.2756 10.3234 10.3234 11.0734 11.0734 11.6203 11.6203 12.6131 12.6131 13.4502 13.4502 k =-0.1024 0.2199 0.2425 ( 2990 PWs) bands (ev): -24.7086 -24.7086 -7.5345 -7.5345 -6.4517 -6.4517 -6.3483 -6.3483 -1.3500 -1.3500 0.3433 0.3433 5.3773 5.3773 6.4723 6.4723 6.7513 6.7513 6.9419 6.9419 7.1673 7.1673 7.5879 7.5879 8.2690 8.2690 9.6996 9.6996 9.8554 9.8554 10.1792 10.1792 10.3086 10.3086 10.3493 10.3493 11.1112 11.1112 11.5916 11.5916 12.6614 12.6614 13.3821 13.3821 k =-0.0964 0.2069 0.2283 ( 2991 PWs) bands (ev): -24.7095 -24.7095 -7.5306 -7.5306 -6.4439 -6.4439 -6.3492 -6.3492 -1.3875 -1.3875 0.3510 0.3510 5.3396 5.3396 6.5176 6.5176 6.7590 6.7590 6.9419 6.9419 7.1947 7.1947 7.5963 7.5963 8.2417 8.2417 9.7114 9.7114 9.8520 9.8520 10.2093 10.2093 10.3394 10.3394 10.3764 10.3764 11.1501 11.1501 11.5645 11.5645 12.7097 12.7097 13.3190 13.3190 k =-0.0904 0.1940 0.2140 ( 2999 PWs) bands (ev): -24.7102 -24.7102 -7.5270 -7.5270 -6.4365 -6.4365 -6.3499 -6.3499 -1.4232 -1.4232 0.3580 0.3580 5.3026 5.3026 6.5626 6.5626 6.7603 6.7603 6.9420 6.9420 7.2287 7.2287 7.6042 7.6042 8.2156 8.2156 9.7225 9.7225 9.8479 9.8479 10.2382 10.2382 10.3683 10.3683 10.4044 10.4044 11.1893 11.1893 11.5388 11.5388 12.7578 12.7578 13.2620 13.2620 k =-0.0843 0.1811 0.1997 ( 3005 PWs) bands (ev): -24.7110 -24.7110 -7.5236 -7.5236 -6.4295 -6.4295 -6.3501 -6.3501 -1.4571 -1.4571 0.3642 0.3642 5.2668 5.2668 6.6068 6.6068 6.7569 6.7569 6.9425 6.9425 7.2672 7.2672 7.6116 7.6116 8.1911 8.1911 9.7329 9.7329 9.8432 9.8432 10.2657 10.2657 10.3955 10.3955 10.4328 10.4328 11.2284 11.2284 11.5147 11.5147 12.8053 12.8053 13.2118 13.2118 k =-0.0783 0.1681 0.1855 ( 3005 PWs) bands (ev): -24.7117 -24.7117 -7.5204 -7.5204 -6.4232 -6.4232 -6.3498 -6.3498 -1.4891 -1.4891 0.3698 0.3698 5.2324 5.2324 6.6496 6.6496 6.7505 6.7505 6.9432 6.9432 7.3085 7.3085 7.6185 7.6185 8.1680 8.1680 9.7426 9.7426 9.8383 9.8383 10.2918 10.2918 10.4215 10.4215 10.4608 10.4608 11.2665 11.2665 11.4921 11.4921 12.8520 12.8520 13.1691 13.1691 k =-0.0723 0.1552 0.1712 ( 3001 PWs) bands (ev): -24.7124 -24.7124 -7.5174 -7.5174 -6.4176 -6.4176 -6.3490 -6.3490 -1.5190 -1.5190 0.3748 0.3748 5.1998 5.1998 6.6905 6.6905 6.7423 6.7423 6.9440 6.9440 7.3508 7.3508 7.6249 7.6249 8.1464 8.1464 9.7514 9.7514 9.8333 9.8333 10.3164 10.3164 10.4467 10.4467 10.4882 10.4882 11.3032 11.3032 11.4711 11.4711 12.8974 12.8974 13.1345 13.1345 k =-0.0663 0.1423 0.1569 ( 3005 PWs) bands (ev): -24.7131 -24.7131 -7.5147 -7.5147 -6.4128 -6.4128 -6.3477 -6.3477 -1.5468 -1.5468 0.3792 0.3792 5.1691 5.1691 6.7273 6.7273 6.7350 6.7350 6.9449 6.9449 7.3931 7.3931 7.6308 7.6308 8.1263 8.1263 9.7592 9.7592 9.8284 9.8284 10.3392 10.3392 10.4709 10.4709 10.5143 10.5143 11.3376 11.3376 11.4517 11.4517 12.9414 12.9414 13.1082 13.1082 k =-0.0602 0.1293 0.1427 ( 3009 PWs) bands (ev): -24.7137 -24.7137 -7.5122 -7.5122 -6.4089 -6.4089 -6.3457 -6.3457 -1.5724 -1.5724 0.3830 0.3830 5.1406 5.1406 6.7227 6.7227 6.7665 6.7665 6.9459 6.9459 7.4342 7.4342 7.6361 7.6361 8.1078 8.1078 9.7660 9.7660 9.8237 9.8237 10.3603 10.3603 10.4942 10.4942 10.5391 10.5391 11.3689 11.3689 11.4344 11.4344 12.9834 12.9834 13.0906 13.0906 k =-0.0542 0.1164 0.1284 ( 3005 PWs) bands (ev): -24.7143 -24.7143 -7.5099 -7.5099 -6.4058 -6.4058 -6.3433 -6.3433 -1.5958 -1.5958 0.3863 0.3863 5.1144 5.1144 6.7133 6.7133 6.8002 6.8002 6.9469 6.9469 7.4735 7.4735 7.6410 7.6410 8.0909 8.0909 9.7717 9.7717 9.8197 9.8197 10.3796 10.3796 10.5165 10.5165 10.5623 10.5623 11.3942 11.3942 11.4216 11.4216 13.0231 13.0231 13.0818 13.0818 k =-0.0482 0.1035 0.1141 ( 3001 PWs) bands (ev): -24.7148 -24.7148 -7.5079 -7.5079 -6.4035 -6.4035 -6.3405 -6.3405 -1.6169 -1.6169 0.3892 0.3892 5.0907 5.0907 6.7042 6.7042 6.8311 6.8311 6.9480 6.9480 7.5102 7.5102 7.6453 7.6453 8.0757 8.0757 9.7760 9.7760 9.8163 9.8163 10.3971 10.3971 10.5376 10.5376 10.5840 10.5840 11.3964 11.3964 11.4302 11.4302 13.0601 13.0601 13.0816 13.0816 k =-0.0422 0.0905 0.0999 ( 2991 PWs) bands (ev): -24.7152 -24.7152 -7.5061 -7.5061 -6.4018 -6.4018 -6.3376 -6.3376 -1.6356 -1.6356 0.3917 0.3917 5.0695 5.0695 6.6958 6.6958 6.8589 6.8589 6.9491 6.9491 7.5438 7.5438 7.6491 7.6491 8.0622 8.0622 9.7790 9.7790 9.8140 9.8140 10.4126 10.4126 10.5570 10.5570 10.6038 10.6038 11.3852 11.3852 11.4502 11.4502 13.0892 13.0892 13.0942 13.0942 k =-0.0361 0.0776 0.0856 ( 2991 PWs) bands (ev): -24.7156 -24.7156 -7.5046 -7.5046 -6.4006 -6.4006 -6.3347 -6.3347 -1.6520 -1.6520 0.3937 0.3937 5.0509 5.0509 6.6882 6.6882 6.8833 6.8833 6.9500 6.9500 7.5738 7.5738 7.6524 7.6524 8.0504 8.0504 9.7805 9.7805 9.8128 9.8128 10.4260 10.4260 10.5746 10.5746 10.6215 10.6215 11.3739 11.3739 11.4682 11.4682 13.1039 13.1039 13.1245 13.1245 k =-0.0301 0.0647 0.0713 ( 2987 PWs) bands (ev): -24.7160 -24.7160 -7.5033 -7.5033 -6.3998 -6.3998 -6.3319 -6.3319 -1.6659 -1.6659 0.3954 0.3954 5.0351 5.0351 6.6816 6.6816 6.9043 6.9043 6.9510 6.9510 7.5999 7.5999 7.6552 7.6552 8.0404 8.0404 9.7809 9.7809 9.8125 9.8125 10.4375 10.4375 10.5899 10.5899 10.6370 10.6370 11.3640 11.3640 11.4831 11.4831 13.1240 13.1240 13.1511 13.1511 k =-0.0241 0.0517 0.0571 ( 2991 PWs) bands (ev): -24.7163 -24.7163 -7.5022 -7.5022 -6.3992 -6.3992 -6.3295 -6.3295 -1.6773 -1.6773 0.3968 0.3968 5.0221 5.0221 6.6761 6.6761 6.9215 6.9215 6.9518 6.9518 7.6217 7.6217 7.6574 7.6574 8.0321 8.0321 9.7804 9.7804 9.8129 9.8129 10.4469 10.4469 10.6029 10.6029 10.6502 10.6502 11.3556 11.3556 11.4949 11.4949 13.1475 13.1475 13.1735 13.1735 k =-0.0181 0.0388 0.0428 ( 2987 PWs) bands (ev): -24.7165 -24.7165 -7.5014 -7.5014 -6.3989 -6.3989 -6.3275 -6.3275 -1.6862 -1.6862 0.3978 0.3978 5.0119 5.0119 6.6718 6.6718 6.9350 6.9350 6.9525 6.9525 7.6389 7.6389 7.6592 7.6592 8.0257 8.0257 9.7797 9.7797 9.8134 9.8134 10.4542 10.4542 10.6131 10.6131 10.6607 10.6607 11.3490 11.3490 11.5037 11.5037 13.1715 13.1715 13.1914 13.1914 k =-0.0120 0.0259 0.0285 ( 2979 PWs) bands (ev): -24.7166 -24.7166 -7.5008 -7.5008 -6.3987 -6.3987 -6.3260 -6.3260 -1.6926 -1.6926 0.3986 0.3986 5.0046 5.0046 6.6686 6.6686 6.9444 6.9444 6.9534 6.9534 7.6513 7.6513 7.6605 7.6605 8.0211 8.0211 9.7790 9.7790 9.8140 9.8140 10.4595 10.4595 10.6207 10.6207 10.6686 10.6686 11.3443 11.3443 11.5098 11.5098 13.1922 13.1922 13.2050 13.2050 k =-0.0060 0.0129 0.0143 ( 2975 PWs) bands (ev): -24.7167 -24.7167 -7.5004 -7.5004 -6.3986 -6.3986 -6.3251 -6.3251 -1.6964 -1.6964 0.3990 0.3990 5.0002 5.0002 6.6667 6.6667 6.9494 6.9494 6.9546 6.9546 7.6587 7.6587 7.6614 7.6614 8.0183 8.0183 9.7785 9.7785 9.8145 9.8145 10.4625 10.4625 10.6252 10.6252 10.6732 10.6732 11.3417 11.3417 11.5133 11.5133 13.2055 13.2055 13.2146 13.2146 k = 0.0000 0.0000 0.0000 ( 2991 PWs) bands (ev): -24.7168 -24.7168 -7.5003 -7.5003 -6.3986 -6.3986 -6.3248 -6.3248 -1.6977 -1.6977 0.3991 0.3991 4.9988 4.9988 6.6661 6.6661 6.9505 6.9505 6.9554 6.9554 7.6606 7.6606 7.6622 7.6622 8.0172 8.0172 9.7783 9.7783 9.8145 9.8145 10.4635 10.4635 10.6266 10.6266 10.6748 10.6748 11.3407 11.3407 11.5144 11.5144 13.2095 13.2095 13.2185 13.2185 k = 0.0000 0.0000 0.0000 ( 2991 PWs) bands (ev): -24.7168 -24.7168 -7.5003 -7.5003 -6.3986 -6.3986 -6.3248 -6.3248 -1.6977 -1.6977 0.3991 0.3991 4.9988 4.9988 6.6661 6.6661 6.9505 6.9505 6.9554 6.9554 7.6606 7.6606 7.6622 7.6622 8.0172 8.0172 9.7783 9.7783 9.8145 9.8145 10.4635 10.4635 10.6266 10.6266 10.6748 10.6748 11.3407 11.3407 11.5144 11.5144 13.2095 13.2095 13.2185 13.2185 k = 0.0179 0.0083-0.0000 ( 2971 PWs) bands (ev): -24.7168 -24.7168 -7.5003 -7.5003 -6.3986 -6.3986 -6.3248 -6.3248 -1.6966 -1.6966 0.3974 0.3974 5.0006 5.0006 6.6656 6.6656 6.9503 6.9503 6.9551 6.9551 7.6609 7.6609 7.6625 7.6625 8.0174 8.0174 9.7789 9.7789 9.8128 9.8128 10.4639 10.4639 10.6272 10.6272 10.6753 10.6753 11.3407 11.3407 11.5174 11.5174 13.2099 13.2099 13.2188 13.2188 k = 0.0357 0.0166 0.0000 ( 2979 PWs) bands (ev): -24.7168 -24.7168 -7.5004 -7.5004 -6.3989 -6.3989 -6.3248 -6.3248 -1.6932 -1.6932 0.3922 0.3922 5.0061 5.0061 6.6643 6.6643 6.9494 6.9494 6.9542 6.9542 7.6615 7.6615 7.6630 7.6630 8.0174 8.0174 9.7804 9.7804 9.8073 9.8073 10.4646 10.4646 10.6285 10.6285 10.6767 10.6767 11.3407 11.3407 11.5261 11.5261 13.2109 13.2109 13.2197 13.2197 k = 0.0536 0.0250 0.0000 ( 2975 PWs) bands (ev): -24.7168 -24.7168 -7.5005 -7.5005 -6.3993 -6.3993 -6.3248 -6.3248 -1.6876 -1.6876 0.3836 0.3836 5.0153 5.0153 6.6622 6.6622 6.9481 6.9481 6.9527 6.9527 7.6626 7.6626 7.6640 7.6640 8.0175 8.0175 9.7833 9.7833 9.7985 9.7985 10.4657 10.4657 10.6309 10.6309 10.6791 10.6791 11.3407 11.3407 11.5404 11.5404 13.2125 13.2125 13.2211 13.2211 k = 0.0714 0.0333-0.0000 ( 2979 PWs) bands (ev): -24.7168 -24.7168 -7.5007 -7.5007 -6.3999 -6.3999 -6.3248 -6.3248 -1.6798 -1.6798 0.3716 0.3716 5.0278 5.0278 6.6593 6.6593 6.9462 6.9462 6.9506 6.9506 7.6640 7.6640 7.6653 7.6653 8.0176 8.0176 9.7865 9.7865 9.7870 9.7870 10.4671 10.4671 10.6340 10.6340 10.6822 10.6822 11.3407 11.3407 11.5601 11.5601 13.2149 13.2149 13.2231 13.2231 k = 0.0893 0.0416 0.0000 ( 2987 PWs) bands (ev): -24.7168 -24.7168 -7.5010 -7.5010 -6.4006 -6.4006 -6.3248 -6.3248 -1.6699 -1.6699 0.3565 0.3565 5.0436 5.0436 6.6558 6.6558 6.9437 6.9437 6.9479 6.9479 7.6658 7.6658 7.6670 7.6670 8.0177 8.0177 9.7717 9.7717 9.7920 9.7920 10.4689 10.4689 10.6381 10.6381 10.6863 10.6863 11.3407 11.3407 11.5847 11.5847 13.2176 13.2176 13.2255 13.2255 k = 0.1071 0.0499 0.0000 ( 2987 PWs) bands (ev): -24.7168 -24.7168 -7.5013 -7.5013 -6.4015 -6.4015 -6.3248 -6.3248 -1.6578 -1.6578 0.3382 0.3382 5.0624 5.0624 6.6518 6.6518 6.9409 6.9409 6.9448 6.9448 7.6678 7.6678 7.6691 7.6691 8.0179 8.0179 9.7545 9.7545 9.7982 9.7982 10.4708 10.4708 10.6430 10.6430 10.6913 10.6913 11.3407 11.3407 11.6140 11.6140 13.2210 13.2210 13.2283 13.2283 k = 0.1250 0.0582 0.0000 ( 2987 PWs) bands (ev): -24.7167 -24.7167 -7.5016 -7.5016 -6.4025 -6.4025 -6.3248 -6.3248 -1.6437 -1.6437 0.3171 0.3171 5.0838 5.0838 6.6475 6.6475 6.9376 6.9376 6.9412 6.9412 7.6701 7.6701 7.6716 7.6716 8.0182 8.0182 9.7354 9.7354 9.8056 9.8056 10.4729 10.4729 10.6488 10.6488 10.6971 10.6971 11.3407 11.3407 11.6474 11.6474 13.2248 13.2248 13.2315 13.2315 k = 0.1429 0.0665-0.0000 ( 2995 PWs) bands (ev): -24.7167 -24.7167 -7.5020 -7.5020 -6.4036 -6.4036 -6.3248 -6.3248 -1.6276 -1.6276 0.2932 0.2932 5.1076 5.1076 6.6431 6.6431 6.9340 6.9340 6.9372 6.9372 7.6725 7.6725 7.6744 7.6744 8.0183 8.0183 9.7147 9.7147 9.8142 9.8142 10.4749 10.4749 10.6551 10.6551 10.7035 10.7035 11.3407 11.3407 11.6844 11.6844 13.1914 13.1914 13.2293 13.2293 k = 0.1607 0.0749 0.0000 ( 3000 PWs) bands (ev): -24.7167 -24.7167 -7.5025 -7.5025 -6.4048 -6.4048 -6.3248 -6.3248 -1.6096 -1.6096 0.2669 0.2669 5.1333 5.1333 6.6388 6.6388 6.9301 6.9301 6.9329 6.9329 7.6751 7.6751 7.6774 7.6774 8.0187 8.0187 9.6927 9.6927 9.8241 9.8241 10.4769 10.4769 10.6622 10.6622 10.7107 10.7107 11.3406 11.3406 11.7244 11.7244 13.0638 13.0638 13.2336 13.2336 k = 0.1786 0.0832 0.0000 ( 3004 PWs) bands (ev): -24.7167 -24.7167 -7.5029 -7.5029 -6.4062 -6.4062 -6.3247 -6.3247 -1.5899 -1.5899 0.2383 0.2383 5.1606 5.1606 6.6348 6.6348 6.9259 6.9259 6.9283 6.9283 7.6777 7.6777 7.6806 7.6806 8.0190 8.0190 9.6703 9.6703 9.8353 9.8353 10.4789 10.4789 10.6698 10.6698 10.7184 10.7184 11.3406 11.3406 11.7670 11.7670 12.9326 12.9326 13.2383 13.2386 k = 0.1964 0.0915-0.0000 ( 3004 PWs) bands (ev): -24.7167 -24.7167 -7.5034 -7.5034 -6.4075 -6.4075 -6.3247 -6.3247 -1.5684 -1.5684 0.2077 0.2077 5.1890 5.1890 6.6314 6.6314 6.9215 6.9215 6.9236 6.9236 7.6805 7.6805 7.6840 7.6840 8.0193 8.0193 9.6474 9.6474 9.8481 9.8481 10.4808 10.4808 10.6779 10.6779 10.7266 10.7266 11.3406 11.3406 11.8116 11.8116 12.7994 12.7994 13.2434 13.2445 k = 0.2143 0.0998-0.0000 ( 3004 PWs) bands (ev): -24.7167 -24.7167 -7.5039 -7.5039 -6.4090 -6.4090 -6.3247 -6.3247 -1.5455 -1.5455 0.1753 0.1753 5.2180 5.2180 6.6287 6.6287 6.9169 6.9169 6.9188 6.9188 7.6833 7.6833 7.6874 7.6874 8.0196 8.0196 9.6246 9.6246 9.8624 9.8624 10.4826 10.4826 10.6864 10.6864 10.7352 10.7352 11.3406 11.3406 11.8577 11.8577 12.6652 12.6652 13.2482 13.2483 k = 0.2321 0.1081-0.0000 ( 3004 PWs) bands (ev): -24.7167 -24.7167 -7.5044 -7.5044 -6.4104 -6.4104 -6.3247 -6.3247 -1.5212 -1.5212 0.1415 0.1415 5.2472 5.2472 6.6268 6.6268 6.9123 6.9123 6.9139 6.9139 7.6862 7.6862 7.6909 7.6909 8.0199 8.0199 9.6020 9.6020 9.8783 9.8783 10.4842 10.4842 10.6952 10.6952 10.7442 10.7442 11.3406 11.3406 11.9046 11.9046 12.5311 12.5311 13.2532 13.2540 k = 0.2500 0.1165 0.0000 ( 3008 PWs) bands (ev): -24.7167 -24.7167 -7.5049 -7.5049 -6.4119 -6.4119 -6.3247 -6.3247 -1.4957 -1.4957 0.1065 0.1065 5.2761 5.2761 6.6261 6.6261 6.9076 6.9076 6.9091 6.9091 7.6890 7.6890 7.6944 7.6944 8.0203 8.0203 9.5800 9.5800 9.8959 9.8959 10.4857 10.4857 10.7041 10.7041 10.7533 10.7533 11.3405 11.3405 11.9520 11.9520 12.3980 12.3980 13.2578 13.2583 k = 0.2679 0.1248 0.0000 ( 3000 PWs) bands (ev): -24.7167 -24.7167 -7.5054 -7.5054 -6.4134 -6.4134 -6.3247 -6.3247 -1.4693 -1.4693 0.0707 0.0707 5.3044 5.3044 6.6265 6.6265 6.9029 6.9029 6.9045 6.9045 7.6918 7.6918 7.6978 7.6978 8.0206 8.0206 9.5586 9.5586 9.9152 9.9152 10.4871 10.4871 10.7131 10.7131 10.7625 10.7625 11.3406 11.3406 11.9991 11.9991 12.2667 12.2667 13.2619 13.2630 k = 0.2857 0.1331-0.0000 ( 3004 PWs) bands (ev): -24.7167 -24.7167 -7.5060 -7.5060 -6.4148 -6.4148 -6.3246 -6.3246 -1.4420 -1.4420 0.0344 0.0344 5.3315 5.3315 6.6282 6.6282 6.8982 6.8982 6.8999 6.8999 7.6945 7.6945 7.7011 7.7011 8.0209 8.0209 9.5381 9.5381 9.9363 9.9363 10.4883 10.4883 10.7220 10.7220 10.7717 10.7717 11.3405 11.3405 12.0455 12.0455 12.1381 12.1381 13.2654 13.2662 k = 0.3036 0.1414 0.0000 ( 3012 PWs) bands (ev): -24.7167 -24.7167 -7.5065 -7.5065 -6.4162 -6.4162 -6.3246 -6.3246 -1.4143 -1.4143 -0.0021 -0.0021 5.3571 5.3571 6.6312 6.6312 6.8937 6.8937 6.8956 6.8956 7.6970 7.6970 7.7042 7.7042 8.0212 8.0212 9.5188 9.5188 9.9591 9.9591 10.4895 10.4895 10.7306 10.7306 10.7806 10.7806 11.3405 11.3405 12.0129 12.0129 12.0906 12.0906 13.2686 13.2691 k = 0.3214 0.1497 0.0000 ( 3012 PWs) bands (ev): -24.7167 -24.7167 -7.5069 -7.5069 -6.4176 -6.4176 -6.3246 -6.3246 -1.3865 -1.3865 -0.0382 -0.0382 5.3810 5.3810 6.6353 6.6353 6.8893 6.8893 6.8915 6.8915 7.6994 7.6994 7.7072 7.7072 8.0216 8.0216 9.5007 9.5007 9.9837 9.9837 10.4904 10.4904 10.7390 10.7390 10.7894 10.7894 11.3405 11.3405 11.8920 11.8920 12.1340 12.1340 13.2715 13.2720 k = 0.3393 0.1581-0.0000 ( 3012 PWs) bands (ev): -24.7167 -24.7167 -7.5074 -7.5074 -6.4188 -6.4188 -6.3246 -6.3246 -1.3588 -1.3588 -0.0736 -0.0736 5.4029 5.4029 6.6404 6.6404 6.8852 6.8852 6.8877 6.8877 7.7017 7.7017 7.7099 7.7099 8.0219 8.0219 9.4840 9.4840 10.0100 10.0100 10.4913 10.4913 10.7469 10.7469 10.7978 10.7978 11.3404 11.3404 11.7762 11.7762 12.1751 12.1751 13.2739 13.2739 k = 0.3571 0.1664 0.0000 ( 3016 PWs) bands (ev): -24.7167 -24.7167 -7.5078 -7.5078 -6.4200 -6.4200 -6.3246 -6.3246 -1.3317 -1.3317 -0.1078 -0.1078 5.4226 5.4226 6.6463 6.6463 6.8814 6.8814 6.8841 6.8841 7.7038 7.7038 7.7125 7.7125 8.0221 8.0221 9.4688 9.4688 10.0378 10.0378 10.4921 10.4921 10.7542 10.7542 10.8057 10.8057 11.3403 11.3403 11.6663 11.6663 12.2134 12.2134 13.2760 13.2761 k = 0.3750 0.1747-0.0000 ( 3016 PWs) bands (ev): -24.7167 -24.7167 -7.5082 -7.5082 -6.4211 -6.4211 -6.3246 -6.3246 -1.3056 -1.3056 -0.1403 -0.1403 5.4399 5.4399 6.6527 6.6527 6.8780 6.8780 6.8810 6.8810 7.7057 7.7057 7.7148 7.7148 8.0224 8.0224 9.4551 9.4551 10.0667 10.0667 10.4928 10.4928 10.7608 10.7608 10.8130 10.8130 11.3402 11.3402 11.5635 11.5635 12.2486 12.2486 13.2779 13.2780 k = 0.3929 0.1830-0.0000 ( 3016 PWs) bands (ev): -24.7166 -24.7166 -7.5086 -7.5086 -6.4221 -6.4221 -6.3245 -6.3245 -1.2812 -1.2812 -0.1704 -0.1704 5.4549 5.4549 6.6593 6.6593 6.8749 6.8749 6.8781 6.8781 7.7073 7.7073 7.7168 7.7168 8.0226 8.0226 9.4432 9.4432 10.0962 10.0962 10.4933 10.4933 10.7665 10.7665 10.8195 10.8195 11.3399 11.3399 11.4691 11.4691 12.2800 12.2800 13.2795 13.2796 k = 0.4107 0.1913 0.0000 ( 3028 PWs) bands (ev): -24.7166 -24.7166 -7.5089 -7.5089 -6.4229 -6.4229 -6.3245 -6.3245 -1.2589 -1.2589 -0.1975 -0.1975 5.4675 5.4675 6.6657 6.6657 6.8721 6.8721 6.8755 6.8755 7.7087 7.7087 7.7186 7.7186 8.0228 8.0228 9.4328 9.4328 10.1254 10.1254 10.4938 10.4938 10.7712 10.7712 10.8253 10.8253 11.3385 11.3385 11.3853 11.3853 12.3073 12.3073 13.2806 13.2806 k = 0.4286 0.1996-0.0000 ( 3036 PWs) bands (ev): -24.7166 -24.7166 -7.5091 -7.5091 -6.4236 -6.4236 -6.3245 -6.3245 -1.2394 -1.2394 -0.2211 -0.2211 5.4777 5.4777 6.6715 6.6715 6.8699 6.8699 6.8735 6.8735 7.7099 7.7099 7.7200 7.7200 8.0228 8.0228 9.4244 9.4244 10.1531 10.1531 10.4940 10.4940 10.7748 10.7748 10.8301 10.8301 11.3066 11.3066 11.3432 11.3432 12.3302 12.3302 13.2816 13.2816 k = 0.4464 0.2080-0.0000 ( 3044 PWs) bands (ev): -24.7166 -24.7166 -7.5093 -7.5093 -6.4241 -6.4241 -6.3245 -6.3245 -1.2234 -1.2234 -0.2402 -0.2402 5.4856 5.4856 6.6765 6.6765 6.8681 6.8681 6.8718 6.8718 7.7108 7.7108 7.7211 7.7211 8.0230 8.0230 9.4178 9.4178 10.1779 10.1779 10.4943 10.4943 10.7773 10.7773 10.8338 10.8338 11.2476 11.2476 11.3415 11.3415 12.3484 12.3484 13.2823 13.2824 k = 0.4643 0.2163-0.0000 ( 3048 PWs) bands (ev): -24.7166 -24.7166 -7.5095 -7.5095 -6.4245 -6.4245 -6.3245 -6.3245 -1.2115 -1.2115 -0.2545 -0.2545 5.4911 5.4911 6.6804 6.6804 6.8668 6.8668 6.8706 6.8706 7.7115 7.7115 7.7219 7.7219 8.0231 8.0231 9.4130 9.4130 10.1977 10.1977 10.4945 10.4945 10.7789 10.7789 10.8366 10.8366 11.2026 11.2026 11.3411 11.3411 12.3616 12.3616 13.2828 13.2830 k = 0.4821 0.2246 0.0000 ( 3056 PWs) bands (ev): -24.7166 -24.7166 -7.5096 -7.5096 -6.4248 -6.4248 -6.3245 -6.3245 -1.2041 -1.2041 -0.2633 -0.2633 5.4945 5.4945 6.6827 6.6827 6.8661 6.8661 6.8699 6.8699 7.7119 7.7119 7.7224 7.7224 8.0230 8.0230 9.4102 9.4102 10.2106 10.2106 10.4946 10.4946 10.7796 10.7796 10.8383 10.8383 11.1745 11.1745 11.3410 11.3410 12.3695 12.3695 13.2831 13.2832 k = 0.5000 0.2329 0.0000 ( 3056 PWs) bands (ev): -24.7166 -24.7166 -7.5096 -7.5096 -6.4249 -6.4249 -6.3245 -6.3245 -1.2016 -1.2016 -0.2663 -0.2663 5.4956 5.4956 6.6835 6.6835 6.8658 6.8658 6.8697 6.8697 7.7120 7.7120 7.7226 7.7226 8.0230 8.0230 9.4092 9.4092 10.2151 10.2151 10.4946 10.4946 10.7798 10.7798 10.8388 10.8388 11.1649 11.1649 11.3409 11.3409 12.3722 12.3722 13.2832 13.2832 k = 0.5000 0.2329 0.0000 ( 3056 PWs) bands (ev): -24.7166 -24.7166 -7.5096 -7.5096 -6.4249 -6.4249 -6.3245 -6.3245 -1.2016 -1.2016 -0.2663 -0.2663 5.4956 5.4956 6.6835 6.6835 6.8658 6.8658 6.8697 6.8697 7.7120 7.7120 7.7226 7.7226 8.0230 8.0230 9.4092 9.4092 10.2151 10.2151 10.4946 10.4946 10.7798 10.7798 10.8388 10.8388 11.1649 11.1649 11.3409 11.3409 12.3722 12.3722 13.2832 13.2832 k = 0.4940 0.2459 0.0143 ( 3046 PWs) bands (ev): -24.7166 -24.7166 -7.5097 -7.5097 -6.4249 -6.4249 -6.3248 -6.3248 -1.2008 -1.2008 -0.2656 -0.2656 5.4962 5.4962 6.6803 6.6803 6.8671 6.8671 6.8717 6.8717 7.7097 7.7097 7.7207 7.7207 8.0240 8.0240 9.4104 9.4104 10.2118 10.2118 10.4938 10.4938 10.7803 10.7803 10.8387 10.8387 11.1643 11.1643 11.3428 11.3428 12.3746 12.3746 13.2802 13.2802 k = 0.4880 0.2588 0.0285 ( 3044 PWs) bands (ev): -24.7165 -24.7165 -7.5100 -7.5100 -6.4249 -6.4249 -6.3257 -6.3257 -1.1984 -1.1984 -0.2635 -0.2635 5.4980 5.4980 6.6710 6.6710 6.8686 6.8686 6.8795 6.8795 7.7011 7.7011 7.7166 7.7166 8.0262 8.0262 9.4140 9.4140 10.2020 10.2020 10.4909 10.4909 10.7805 10.7805 10.8394 10.8394 11.1623 11.1623 11.3483 11.3483 12.3819 12.3819 13.2672 13.2672 k = 0.4819 0.2717 0.0428 ( 3040 PWs) bands (ev): -24.7164 -24.7164 -7.5105 -7.5105 -6.4250 -6.4250 -6.3272 -6.3272 -1.1945 -1.1945 -0.2601 -0.2601 5.5009 5.5009 6.6571 6.6571 6.8703 6.8703 6.8919 6.8919 7.6848 7.6848 7.7120 7.7120 8.0300 8.0300 9.4198 9.4198 10.1863 10.1863 10.4861 10.4861 10.7777 10.7777 10.8435 10.8435 11.1591 11.1591 11.3574 11.3574 12.3938 12.3938 13.2438 13.2438 k = 0.4759 0.2846 0.0571 ( 3038 PWs) bands (ev): -24.7161 -24.7161 -7.5112 -7.5112 -6.4251 -6.4251 -6.3292 -6.3292 -1.1890 -1.1890 -0.2554 -0.2554 5.5049 5.5049 6.6396 6.6396 6.8724 6.8724 6.9073 6.9073 7.6614 7.6614 7.7067 7.7067 8.0352 8.0352 9.4275 9.4275 10.1658 10.1658 10.4793 10.4793 10.7694 10.7694 10.8535 10.8535 11.1546 11.1546 11.3693 11.3693 12.4103 12.4103 13.2120 13.2121 k = 0.4699 0.2976 0.0713 ( 3038 PWs) bands (ev): -24.7158 -24.7158 -7.5122 -7.5122 -6.4254 -6.4254 -6.3316 -6.3316 -1.1820 -1.1820 -0.2495 -0.2495 5.5099 5.5099 6.6197 6.6197 6.8751 6.8751 6.9248 6.9248 7.6317 7.6317 7.7003 7.7003 8.0419 8.0419 9.4366 9.4366 10.1415 10.1415 10.4705 10.4705 10.7557 10.7557 10.8690 10.8690 11.1486 11.1486 11.3837 11.3837 12.4308 12.4308 13.1737 13.1737 k = 0.4639 0.3105 0.0856 ( 3032 PWs) bands (ev): -24.7155 -24.7155 -7.5133 -7.5133 -6.4258 -6.4258 -6.3344 -6.3344 -1.1735 -1.1735 -0.2422 -0.2422 5.5158 5.5158 6.5979 6.5979 6.8783 6.8783 6.9437 6.9437 7.5965 7.5965 7.6927 7.6927 8.0501 8.0501 9.4465 9.4465 10.1145 10.1145 10.4596 10.4596 10.7376 10.7376 10.8890 10.8890 11.1413 11.1413 11.4004 11.4004 12.4553 12.4553 13.1302 13.1302 k = 0.4578 0.3234 0.0999 ( 3030 PWs) bands (ev): -24.7151 -24.7151 -7.5146 -7.5146 -6.4264 -6.4264 -6.3375 -6.3375 -1.1634 -1.1634 -0.2339 -0.2339 5.5224 5.5224 6.5747 6.5747 6.8821 6.8821 6.9634 6.9634 7.5565 7.5565 7.6838 7.6838 8.0598 8.0598 9.4567 9.4567 10.0860 10.0860 10.4468 10.4468 10.7162 10.7162 10.9124 10.9124 11.1324 11.1324 11.4186 11.4186 12.4830 12.4830 13.0831 13.0831 k = 0.4518 0.3364 0.1141 ( 3026 PWs) bands (ev): -24.7146 -24.7146 -7.5162 -7.5162 -6.4274 -6.4274 -6.3407 -6.3407 -1.1518 -1.1518 -0.2244 -0.2244 5.5295 5.5295 6.5505 6.5505 6.8864 6.8864 6.9838 6.9838 7.5123 7.5123 7.6738 7.6738 8.0710 8.0710 9.4665 9.4665 10.0570 10.0570 10.4321 10.4321 10.6922 10.6922 10.9385 10.9385 11.1221 11.1221 11.4381 11.4381 12.5137 12.5137 13.0338 13.0338 k = 0.4458 0.3493 0.1284 ( 3028 PWs) bands (ev): -24.7141 -24.7141 -7.5180 -7.5180 -6.4287 -6.4287 -6.3440 -6.3440 -1.1387 -1.1387 -0.2140 -0.2140 5.5368 5.5368 6.5254 6.5254 6.8913 6.8913 7.0048 7.0048 7.4647 7.4647 7.6626 7.6626 8.0838 8.0838 9.4751 9.4751 10.0284 10.0284 10.4154 10.4154 10.6659 10.6659 10.9668 10.9668 11.1103 11.1103 11.4583 11.4583 12.5467 12.5467 12.9835 12.9835 k = 0.4398 0.3622 0.1426 ( 3024 PWs) bands (ev): -24.7136 -24.7136 -7.5200 -7.5200 -6.4306 -6.4306 -6.3471 -6.3471 -1.1242 -1.1242 -0.2026 -0.2026 5.5440 5.5440 6.4996 6.4996 6.8967 6.8967 7.0261 7.0261 7.4145 7.4145 7.6503 7.6503 8.0980 8.0980 9.4821 9.4821 10.0011 10.0011 10.3967 10.3967 10.6378 10.6378 10.9967 10.9967 11.0973 11.0973 11.4791 11.4791 12.5814 12.5814 12.9333 12.9333 k = 0.4337 0.3752 0.1569 ( 3024 PWs) bands (ev): -24.7130 -24.7130 -7.5222 -7.5222 -6.4331 -6.4331 -6.3499 -6.3499 -1.1082 -1.1082 -0.1905 -0.1905 5.5510 5.5510 6.4732 6.4732 6.9027 6.9027 7.0478 7.0478 7.3626 7.3626 7.6370 7.6370 8.1136 8.1136 9.4866 9.4866 9.9759 9.9759 10.3763 10.3763 10.6080 10.6080 11.0266 11.0266 11.0846 11.0846 11.5000 11.5000 12.6170 12.6170 12.8841 12.8841 k = 0.4277 0.3881 0.1712 ( 3026 PWs) bands (ev): -24.7123 -24.7123 -7.5246 -7.5246 -6.4363 -6.4363 -6.3522 -6.3522 -1.0907 -1.0907 -0.1776 -0.1776 5.5573 5.5573 6.4462 6.4462 6.9091 6.9091 7.0698 7.0698 7.3097 7.3097 7.6228 7.6228 8.1309 8.1309 9.4883 9.4883 9.9532 9.9532 10.3541 10.3541 10.5766 10.5766 11.0447 11.0447 11.0837 11.0837 11.5209 11.5209 12.6523 12.6523 12.8366 12.8366 k = 0.4217 0.4010 0.1854 ( 3022 PWs) bands (ev): -24.7116 -24.7116 -7.5273 -7.5273 -6.4402 -6.4402 -6.3541 -6.3541 -1.0719 -1.0719 -0.1642 -0.1642 5.5625 5.5625 6.4190 6.4190 6.9160 6.9160 7.0921 7.0921 7.2569 7.2569 7.6076 7.6076 8.1495 8.1495 9.4868 9.4868 9.9336 9.9336 10.3302 10.3302 10.5439 10.5439 11.0346 11.0346 11.1108 11.1108 11.5414 11.5414 12.6862 12.6862 12.7918 12.7918 k = 0.4157 0.4139 0.1997 ( 3030 PWs) bands (ev): -24.7109 -24.7109 -7.5301 -7.5301 -6.4449 -6.4449 -6.3553 -6.3553 -1.0518 -1.0518 -0.1504 -0.1504 5.5661 5.5661 6.3914 6.3914 6.9234 6.9234 7.1144 7.1144 7.2050 7.2050 7.5916 7.5916 8.1696 8.1696 9.4819 9.4819 9.9169 9.9169 10.3045 10.3045 10.5098 10.5098 11.0149 11.0149 11.1472 11.1472 11.5615 11.5615 12.7164 12.7164 12.7506 12.7506 k = 0.4096 0.4269 0.2140 ( 3038 PWs) bands (ev): -24.7101 -24.7101 -7.5332 -7.5332 -6.4503 -6.4503 -6.3560 -6.3560 -1.0303 -1.0303 -0.1363 -0.1363 5.5678 5.5678 6.3637 6.3637 6.9312 6.9312 7.1351 7.1351 7.1567 7.1567 7.5748 7.5748 8.1911 8.1911 9.4738 9.4738 9.9030 9.9030 10.2772 10.2772 10.4745 10.4745 10.9918 10.9918 11.1867 11.1867 11.5809 11.5809 12.7090 12.7090 12.7457 12.7457 k = 0.4036 0.4398 0.2282 ( 3042 PWs) bands (ev): -24.7094 -24.7094 -7.5365 -7.5365 -6.4563 -6.4563 -6.3561 -6.3561 -1.0075 -1.0075 -0.1221 -0.1221 5.5670 5.5670 6.3359 6.3359 6.9396 6.9396 7.1054 7.1054 7.1617 7.1617 7.5574 7.5574 8.2141 8.2141 9.4630 9.4630 9.8914 9.8914 10.2485 10.2485 10.4380 10.4380 10.9663 10.9663 11.2281 11.2281 11.5994 11.5994 12.6745 12.6745 12.7647 12.7647 k = 0.3976 0.4527 0.2425 ( 3036 PWs) bands (ev): -24.7085 -24.7085 -7.5399 -7.5399 -6.4628 -6.4628 -6.3558 -6.3558 -0.9835 -0.9835 -0.1079 -0.1079 5.5633 5.5633 6.3081 6.3081 6.9484 6.9484 7.0616 7.0616 7.1844 7.1844 7.5394 7.5394 8.2388 8.2388 9.4501 9.4501 9.8815 9.8815 10.2183 10.2183 10.4004 10.4004 10.9388 10.9388 11.2709 11.2709 11.6170 11.6170 12.6432 12.6432 12.7755 12.7755 k = 0.3916 0.4657 0.2568 ( 3024 PWs) bands (ev): -24.7077 -24.7077 -7.5436 -7.5436 -6.4696 -6.4696 -6.3549 -6.3549 -0.9583 -0.9583 -0.0939 -0.0939 5.5563 5.5563 6.2804 6.2804 6.9576 6.9576 7.0216 7.0216 7.2077 7.2077 7.5209 7.5209 8.2646 8.2646 9.4356 9.4356 9.8728 9.8728 10.1869 10.1869 10.3617 10.3617 10.9094 10.9094 11.3148 11.3148 11.6336 11.6336 12.6156 12.6156 12.7757 12.7757 k = 0.3856 0.4786 0.2710 ( 3020 PWs) bands (ev): -24.7069 -24.7069 -7.5474 -7.5474 -6.4768 -6.4768 -6.3538 -6.3538 -0.9319 -0.9319 -0.0803 -0.0803 5.5458 5.5458 6.2530 6.2530 6.9666 6.9666 6.9870 6.9870 7.2310 7.2310 7.5019 7.5019 8.2919 8.2919 9.4200 9.4200 9.8644 9.8644 10.1543 10.1543 10.3220 10.3220 10.8782 10.8782 11.3591 11.3591 11.6490 11.6490 12.5919 12.5919 12.7644 12.7644 k = 0.3795 0.4915 0.2853 ( 3020 PWs) bands (ev): -24.7060 -24.7060 -7.5513 -7.5513 -6.4841 -6.4841 -6.3523 -6.3523 -0.9044 -0.9044 -0.0673 -0.0673 5.5314 5.5314 6.2259 6.2259 6.9551 6.9551 6.9785 6.9785 7.2544 7.2544 7.4826 7.4826 8.3204 8.3204 9.4040 9.4040 9.8557 9.8557 10.1207 10.1207 10.2813 10.2813 10.8456 10.8456 11.4035 11.4035 11.6633 11.6633 12.5720 12.5720 12.7419 12.7419 k = 0.3735 0.5045 0.2996 ( 3020 PWs) bands (ev): -24.7052 -24.7052 -7.5554 -7.5554 -6.4915 -6.4915 -6.3506 -6.3506 -0.8759 -0.8759 -0.0550 -0.0550 5.5132 5.5132 6.1993 6.1993 6.9310 6.9310 6.9885 6.9885 7.2779 7.2779 7.4629 7.4629 8.3503 8.3503 9.3879 9.3879 9.8463 9.8463 10.0862 10.0862 10.2396 10.2396 10.8117 10.8117 11.4469 11.4469 11.6763 11.6763 12.5558 12.5558 12.7099 12.7099 k = 0.3675 0.5174 0.3138 ( 3024 PWs) bands (ev): -24.7043 -24.7043 -7.5596 -7.5596 -6.4989 -6.4989 -6.3486 -6.3486 -0.8463 -0.8463 -0.0436 -0.0436 5.4915 5.4915 6.1732 6.1732 6.9120 6.9120 6.9992 6.9992 7.3012 7.3012 7.4431 7.4431 8.3816 8.3816 9.3722 9.3722 9.8358 9.8358 10.0509 10.0509 10.1970 10.1970 10.7768 10.7768 11.4885 11.4885 11.6882 11.6882 12.5431 12.5431 12.6713 12.6713 k = 0.3615 0.5303 0.3281 ( 3026 PWs) bands (ev): -24.7035 -24.7035 -7.5639 -7.5639 -6.5062 -6.5062 -6.3466 -6.3466 -0.8159 -0.8159 -0.0334 -0.0334 5.4664 5.4664 6.1478 6.1478 6.8983 6.8983 7.0104 7.0104 7.3243 7.3243 7.4231 7.4231 8.4141 8.4141 9.3571 9.3571 9.8240 9.8240 10.0152 10.0152 10.1535 10.1535 10.7410 10.7410 11.5268 11.5268 11.6990 11.6990 12.5339 12.5339 12.6298 12.6298 k = 0.3554 0.5433 0.3424 ( 3022 PWs) bands (ev): -24.7026 -24.7026 -7.5682 -7.5682 -6.5133 -6.5133 -6.3444 -6.3444 -0.7845 -0.7845 -0.0245 -0.0245 5.4387 5.4387 6.1233 6.1233 6.8897 6.8897 7.0220 7.0220 7.3472 7.3472 7.4030 7.4030 8.4479 8.4479 9.3428 9.3428 9.8106 9.8106 9.9792 9.9792 10.1092 10.1092 10.7047 10.7047 11.5600 11.5600 11.7087 11.7087 12.5278 12.5278 12.5898 12.5898 k = 0.3494 0.5562 0.3566 ( 3024 PWs) bands (ev): -24.7018 -24.7018 -7.5726 -7.5726 -6.5202 -6.5202 -6.3422 -6.3422 -0.7523 -0.7523 -0.0172 -0.0172 5.4087 5.4087 6.0997 6.0997 6.8854 6.8854 7.0339 7.0339 7.3697 7.3697 7.3829 7.3829 8.4831 8.4831 9.3296 9.3296 9.7956 9.7956 9.9430 9.9430 10.0642 10.0642 10.6680 10.6680 11.5862 11.5862 11.7172 11.7172 12.5244 12.5244 12.5556 12.5556 k = 0.3434 0.5691 0.3709 ( 3024 PWs) bands (ev): -24.7010 -24.7010 -7.5769 -7.5769 -6.5269 -6.5269 -6.3400 -6.3400 -0.7194 -0.7194 -0.0116 -0.0116 5.3774 5.3774 6.0771 6.0771 6.8851 6.8851 7.0462 7.0462 7.3627 7.3627 7.3919 7.3919 8.5194 8.5194 9.3174 9.3174 9.7789 9.7789 9.9071 9.9071 10.0184 10.0184 10.6312 10.6312 11.6034 11.6034 11.7246 11.7246 12.5213 12.5213 12.5336 12.5336 k = 0.3374 0.5820 0.3851 ( 3028 PWs) bands (ev): -24.7003 -24.7003 -7.5812 -7.5812 -6.5332 -6.5332 -6.3377 -6.3377 -0.6859 -0.6859 -0.0078 -0.0078 5.3454 5.3454 6.0558 6.0558 6.8878 6.8878 7.0588 7.0588 7.3427 7.3427 7.4134 7.4134 8.5567 8.5567 9.3065 9.3065 9.7606 9.7606 9.8717 9.8717 9.9720 9.9720 10.5945 10.5945 11.6098 11.6098 11.7308 11.7308 12.5144 12.5144 12.5310 12.5310 k = 0.3313 0.5950 0.3994 ( 3036 PWs) bands (ev): -24.6995 -24.6995 -7.5854 -7.5854 -6.5392 -6.5392 -6.3355 -6.3355 -0.6517 -0.6517 -0.0062 -0.0062 5.3134 5.3134 6.0356 6.0356 6.8929 6.8929 7.0716 7.0716 7.3228 7.3228 7.4341 7.4341 8.5952 8.5952 9.2970 9.2970 9.7406 9.7406 9.8371 9.8371 9.9251 9.9251 10.5581 10.5581 11.6045 11.6045 11.7360 11.7360 12.5169 12.5169 12.5361 12.5361 k = 0.3253 0.6079 0.4137 ( 3038 PWs) bands (ev): -24.6988 -24.6988 -7.5896 -7.5896 -6.5449 -6.5449 -6.3333 -6.3333 -0.6170 -0.6170 -0.0067 -0.0067 5.2822 5.2822 6.0170 6.0170 6.8995 6.8995 7.0848 7.0848 7.3032 7.3032 7.4539 7.4539 8.6347 8.6347 9.2890 9.2890 9.7192 9.7192 9.8038 9.8038 9.8777 9.8777 10.5221 10.5221 11.5878 11.5878 11.7405 11.7405 12.5312 12.5312 12.5468 12.5468 k = 0.3193 0.6208 0.4279 ( 3038 PWs) bands (ev): -24.6981 -24.6981 -7.5935 -7.5935 -6.5501 -6.5501 -6.3312 -6.3312 -0.5819 -0.5819 -0.0097 -0.0097 5.2524 5.2524 5.9999 5.9999 6.9069 6.9069 7.0982 7.0982 7.2838 7.2838 7.4727 7.4727 8.6753 8.6753 9.2823 9.2823 9.6963 9.6963 9.7722 9.7722 9.8300 9.8300 10.4869 10.4869 11.5612 11.5612 11.7448 11.7448 12.5467 12.5467 12.5724 12.5724 k = 0.3133 0.6338 0.4422 ( 3044 PWs) bands (ev): -24.6975 -24.6975 -7.5973 -7.5973 -6.5550 -6.5550 -6.3292 -6.3292 -0.5464 -0.5464 -0.0152 -0.0152 5.2246 5.2246 5.9845 5.9845 6.9143 6.9143 7.1119 7.1119 7.2648 7.2648 7.4903 7.4903 8.7168 8.7168 9.2770 9.2770 9.6720 9.6720 9.7428 9.7428 9.7822 9.7822 10.4525 10.4525 11.5268 11.5268 11.7492 11.7492 12.5596 12.5596 12.6146 12.6146 k = 0.3072 0.6467 0.4565 ( 3048 PWs) bands (ev): -24.6969 -24.6969 -7.6009 -7.6009 -6.5594 -6.5594 -6.3273 -6.3273 -0.5107 -0.5107 -0.0233 -0.0233 5.1994 5.1994 5.9708 5.9708 6.9208 6.9208 7.1258 7.1258 7.2461 7.2461 7.5065 7.5065 8.7592 8.7592 9.2733 9.2733 9.6467 9.6467 9.7151 9.7151 9.7351 9.7351 10.4191 10.4191 11.4871 11.4871 11.7537 11.7537 12.5731 12.5731 12.6676 12.6676 k = 0.3012 0.6596 0.4707 ( 3034 PWs) bands (ev): -24.6964 -24.6964 -7.6042 -7.6042 -6.5634 -6.5634 -6.3255 -6.3255 -0.4747 -0.4747 -0.0342 -0.0342 5.1771 5.1771 5.9591 5.9591 6.9259 6.9259 7.1400 7.1400 7.2278 7.2278 7.5210 7.5210 8.8025 8.8025 9.2713 9.2713 9.6209 9.6209 9.6815 9.6815 9.6971 9.6971 10.3870 10.3870 11.4442 11.4442 11.7586 11.7586 12.5879 12.5879 12.7289 12.7289 k = 0.2952 0.6726 0.4850 ( 3026 PWs) bands (ev): -24.6959 -24.6959 -7.6072 -7.6072 -6.5669 -6.5669 -6.3238 -6.3238 -0.4387 -0.4387 -0.0479 -0.0479 5.1581 5.1581 5.9494 5.9494 6.9289 6.9289 7.1543 7.1543 7.2099 7.2099 7.5338 7.5338 8.8466 8.8466 9.2710 9.2710 9.5945 9.5945 9.6360 9.6360 9.6744 9.6744 10.3560 10.3560 11.3995 11.3995 11.7639 11.7639 12.6040 12.6040 12.7966 12.7966 k = 0.2892 0.6855 0.4993 ( 3030 PWs) bands (ev): -24.6955 -24.6955 -7.6099 -7.6099 -6.5700 -6.5700 -6.3223 -6.3223 -0.4026 -0.4026 -0.0644 -0.0644 5.1429 5.1429 5.9418 5.9418 6.9291 6.9291 7.1688 7.1688 7.1925 7.1925 7.5447 7.5447 8.8914 8.8914 9.2724 9.2724 9.5664 9.5664 9.5913 9.5913 9.6562 9.6562 10.3264 10.3264 11.3544 11.3544 11.7698 11.7698 12.6213 12.6213 12.8693 12.8693 k = 0.2831 0.6984 0.5135 ( 3022 PWs) bands (ev): -24.6951 -24.6951 -7.6123 -7.6123 -6.5727 -6.5727 -6.3210 -6.3210 -0.3667 -0.3667 -0.0838 -0.0838 5.1315 5.1315 5.9364 5.9364 6.9261 6.9261 7.1756 7.1756 7.1835 7.1835 7.5535 7.5535 8.9370 8.9370 9.2755 9.2755 9.5299 9.5299 9.5564 9.5564 9.6413 9.6413 10.2983 10.2983 11.3097 11.3097 11.7765 11.7765 12.6397 12.6397 12.9458 12.9458 k = 0.2771 0.7114 0.5278 ( 3030 PWs) bands (ev): -24.6948 -24.6948 -7.6143 -7.6143 -6.5749 -6.5749 -6.3198 -6.3198 -0.3309 -0.3309 -0.1060 -0.1060 5.1241 5.1241 5.9333 5.9333 6.9193 6.9193 7.1591 7.1591 7.1984 7.1984 7.5599 7.5599 8.9829 8.9829 9.2803 9.2803 9.4854 9.4854 9.5319 9.5319 9.6294 9.6294 10.2718 10.2718 11.2660 11.2660 11.7840 11.7840 12.6590 12.6590 12.9514 12.9515 k = 0.2771 0.7114 0.5278 ( 3030 PWs) bands (ev): -24.6948 -24.6948 -7.6143 -7.6143 -6.5749 -6.5749 -6.3198 -6.3198 -0.3309 -0.3309 -0.1060 -0.1060 5.1241 5.1241 5.9333 5.9333 6.9193 6.9193 7.1591 7.1591 7.1984 7.1984 7.5599 7.5599 8.9829 8.9829 9.2803 9.2803 9.4854 9.4854 9.5319 9.5319 9.6294 9.6294 10.2718 10.2718 11.2660 11.2660 11.7840 11.7840 12.6590 12.6590 12.9514 12.9515 k = 0.2587 0.7075 0.5321 ( 3030 PWs) bands (ev): -24.6947 -24.6947 -7.6148 -7.6148 -6.5755 -6.5755 -6.3195 -6.3195 -0.3205 -0.3205 -0.1130 -0.1130 5.1240 5.1240 5.9308 5.9308 6.9180 6.9180 7.1532 7.1532 7.2040 7.2040 7.5603 7.5603 8.9970 8.9970 9.2824 9.2824 9.4716 9.4716 9.5254 9.5254 9.6274 9.6274 10.2614 10.2614 11.2574 11.2574 11.7864 11.7864 12.6468 12.6468 12.9358 12.9358 k = 0.2402 0.7036 0.5364 ( 3032 PWs) bands (ev): -24.6946 -24.6946 -7.6153 -7.6153 -6.5760 -6.5760 -6.3191 -6.3191 -0.3107 -0.3107 -0.1197 -0.1197 5.1267 5.1267 5.9244 5.9244 6.9191 6.9191 7.1462 7.1462 7.2108 7.2108 7.5586 7.5586 9.0113 9.0113 9.2853 9.2853 9.4576 9.4576 9.5188 9.5188 9.6274 9.6274 10.2461 10.2461 11.2572 11.2572 11.7885 11.7885 12.6085 12.6085 12.9199 12.9199 k = 0.2217 0.6997 0.5406 ( 3030 PWs) bands (ev): -24.6945 -24.6945 -7.6158 -7.6158 -6.5765 -6.5765 -6.3188 -6.3188 -0.3015 -0.3015 -0.1262 -0.1262 5.1321 5.1321 5.9141 5.9141 6.9229 6.9229 7.1391 7.1391 7.2179 7.2179 7.5548 7.5548 9.0259 9.0259 9.2890 9.2890 9.4438 9.4438 9.5119 9.5119 9.6298 9.6298 10.2262 10.2262 11.2649 11.2649 11.7904 11.7904 12.5573 12.5573 12.9042 12.9042 k = 0.2032 0.6958 0.5449 ( 3027 PWs) bands (ev): -24.6945 -24.6945 -7.6162 -7.6162 -6.5769 -6.5769 -6.3185 -6.3185 -0.2927 -0.2927 -0.1326 -0.1326 5.1401 5.1401 5.9001 5.9001 6.9293 6.9293 7.1321 7.1321 7.2249 7.2249 7.5492 7.5492 9.0408 9.0408 9.2932 9.2932 9.4301 9.4301 9.5047 9.5047 9.6347 9.6347 10.2024 10.2024 11.2797 11.2797 11.7919 11.7919 12.5003 12.5003 12.8891 12.8891 k = 0.1848 0.6919 0.5492 ( 3029 PWs) bands (ev): -24.6944 -24.6944 -7.6166 -7.6166 -6.5773 -6.5773 -6.3182 -6.3182 -0.2844 -0.2844 -0.1388 -0.1388 5.1505 5.1505 5.8830 5.8830 6.9379 6.9379 7.1256 7.1256 7.2315 7.2315 7.5418 7.5418 9.0559 9.0559 9.2974 9.2974 9.4169 9.4169 9.4971 9.4971 9.6419 9.6419 10.1755 10.1755 11.3008 11.3008 11.7932 11.7932 12.4406 12.4406 12.8750 12.8750 k = 0.1663 0.6881 0.5535 ( 3029 PWs) bands (ev): -24.6944 -24.6944 -7.6169 -7.6169 -6.5776 -6.5776 -6.3180 -6.3180 -0.2766 -0.2766 -0.1448 -0.1448 5.1629 5.1629 5.8631 5.8631 6.9484 6.9484 7.1195 7.1195 7.2378 7.2378 7.5331 7.5331 9.0711 9.0711 9.3012 9.3012 9.4046 9.4046 9.4892 9.4892 9.6516 9.6516 10.1463 10.1463 11.3271 11.3271 11.7941 11.7941 12.3801 12.3801 12.8621 12.8621 k = 0.1478 0.6842 0.5578 ( 3030 PWs) bands (ev): -24.6943 -24.6943 -7.6172 -7.6172 -6.5780 -6.5780 -6.3177 -6.3177 -0.2692 -0.2692 -0.1507 -0.1507 5.1771 5.1771 5.8411 5.8411 6.9605 6.9605 7.1139 7.1139 7.2435 7.2435 7.5233 7.5233 9.0864 9.0864 9.3039 9.3039 9.3939 9.3939 9.4810 9.4810 9.6635 9.6635 10.1154 10.1154 11.3579 11.3579 11.7947 11.7947 12.3197 12.3197 12.8505 12.8505 k = 0.1293 0.6803 0.5621 ( 3025 PWs) bands (ev): -24.6943 -24.6943 -7.6175 -7.6175 -6.5782 -6.5782 -6.3175 -6.3175 -0.2621 -0.2621 -0.1565 -0.1565 5.1926 5.1926 5.8177 5.8177 6.9735 6.9735 7.1089 7.1089 7.2488 7.2488 7.5127 7.5127 9.1019 9.1019 9.3044 9.3044 9.3858 9.3858 9.4726 9.4726 9.6778 9.6778 10.0836 10.0836 11.3920 11.3920 11.7950 11.7950 12.2603 12.2603 12.8403 12.8403 k = 0.1109 0.6764 0.5663 ( 3028 PWs) bands (ev): -24.6942 -24.6942 -7.6177 -7.6177 -6.5785 -6.5785 -6.3173 -6.3173 -0.2555 -0.2555 -0.1621 -0.1621 5.2090 5.2090 5.7939 5.7939 6.9868 6.9868 7.1046 7.1046 7.2534 7.2534 7.5019 7.5019 9.1173 9.1173 9.3017 9.3017 9.3811 9.3811 9.4641 9.4641 9.6940 9.6940 10.0514 10.0514 11.4286 11.4286 11.7951 11.7951 12.2025 12.2025 12.8316 12.8316 k = 0.0924 0.6725 0.5706 ( 3020 PWs) bands (ev): -24.6942 -24.6942 -7.6179 -7.6179 -6.5787 -6.5787 -6.3171 -6.3171 -0.2493 -0.2493 -0.1674 -0.1674 5.2254 5.2254 5.7705 5.7705 6.9998 6.9998 7.1008 7.1008 7.2574 7.2574 7.4914 7.4914 9.1325 9.1325 9.2956 9.2956 9.3804 9.3804 9.4555 9.4555 9.7119 9.7119 10.0196 10.0196 11.4664 11.4664 11.7952 11.7952 12.1471 12.1471 12.8244 12.8244 k = 0.0739 0.6687 0.5749 ( 3021 PWs) bands (ev): -24.6942 -24.6942 -7.6181 -7.6181 -6.5788 -6.5788 -6.3169 -6.3169 -0.2436 -0.2436 -0.1724 -0.1724 5.2412 5.2412 5.7487 5.7487 7.0118 7.0118 7.0978 7.0978 7.2607 7.2607 7.4816 7.4816 9.1474 9.1474 9.2867 9.2867 9.3828 9.3828 9.4468 9.4468 9.7312 9.7312 9.9886 9.9886 11.5042 11.5042 11.7952 11.7952 12.0953 12.0953 12.8185 12.8185 k = 0.0554 0.6648 0.5792 ( 3020 PWs) bands (ev): -24.6942 -24.6942 -7.6182 -7.6182 -6.5789 -6.5789 -6.3168 -6.3168 -0.2387 -0.2387 -0.1769 -0.1769 5.2553 5.2553 5.7297 5.7297 7.0221 7.0221 7.0954 7.0954 7.2632 7.2632 7.4731 7.4731 9.1614 9.1614 9.2764 9.2764 9.3874 9.3874 9.4383 9.4383 9.7511 9.7511 9.9594 9.9594 11.5398 11.5398 11.7953 11.7953 12.0488 12.0488 12.8140 12.8140 k = 0.0370 0.6609 0.5835 ( 3025 PWs) bands (ev): -24.6941 -24.6941 -7.6183 -7.6183 -6.5790 -6.5790 -6.3167 -6.3167 -0.2346 -0.2346 -0.1805 -0.1805 5.2665 5.2665 5.7148 5.7148 7.0300 7.0300 7.0936 7.0936 7.2651 7.2651 7.4666 7.4666 9.1737 9.1737 9.2662 9.2662 9.3931 9.3931 9.4302 9.4302 9.7703 9.7703 9.9335 9.9335 11.5703 11.5703 11.7955 11.7955 12.0105 12.0105 12.8108 12.8108 k = 0.0185 0.6570 0.5878 ( 3021 PWs) bands (ev): -24.6941 -24.6941 -7.6183 -7.6183 -6.5791 -6.5791 -6.3167 -6.3167 -0.2320 -0.2320 -0.1830 -0.1830 5.2738 5.2738 5.7053 5.7053 7.0350 7.0350 7.0926 7.0926 7.2662 7.2662 7.4624 7.4624 9.1831 9.1831 9.2581 9.2581 9.3989 9.3989 9.4232 9.4232 9.7859 9.7859 9.9139 9.9139 11.5917 11.5917 11.7958 11.7958 11.9842 11.9842 12.8090 12.8090 k = 0.0000 0.6531 0.5920 ( 3024 PWs) bands (ev): -24.6941 -24.6941 -7.6184 -7.6184 -6.5791 -6.5791 -6.3167 -6.3167 -0.2310 -0.2310 -0.1839 -0.1839 5.2763 5.2763 5.7020 5.7020 7.0368 7.0368 7.0922 7.0922 7.2666 7.2666 7.4610 7.4610 9.1867 9.1867 9.2548 9.2548 9.4020 9.4020 9.4197 9.4197 9.7923 9.7923 9.9062 9.9062 11.5995 11.5995 11.7959 11.7959 11.9748 11.9748 12.8084 12.8084 k = 0.0000 0.6531 0.5920 ( 3024 PWs) bands (ev): -24.6941 -24.6941 -7.6184 -7.6184 -6.5791 -6.5791 -6.3167 -6.3167 -0.2310 -0.2310 -0.1839 -0.1839 5.2763 5.2763 5.7020 5.7020 7.0368 7.0368 7.0922 7.0922 7.2666 7.2666 7.4610 7.4610 9.1867 9.1867 9.2548 9.2548 9.4020 9.4020 9.4197 9.4197 9.7923 9.7923 9.9062 9.9062 11.5995 11.5995 11.7959 11.7959 11.9748 11.9748 12.8084 12.8084 k = 0.0060 0.6403 0.6061 ( 3020 PWs) bands (ev): -24.6941 -24.6941 -7.6184 -7.6184 -6.5791 -6.5791 -6.3169 -6.3169 -0.2306 -0.2306 -0.1832 -0.1832 5.2768 5.2768 5.7010 5.7010 7.0332 7.0332 7.0959 7.0959 7.2650 7.2650 7.4626 7.4626 9.1832 9.1832 9.2477 9.2477 9.4074 9.4074 9.4249 9.4249 9.7908 9.7908 9.9066 9.9066 11.5992 11.5992 11.7826 11.7826 11.9845 11.9845 12.7979 12.7979 k = 0.0119 0.6276 0.6202 ( 3024 PWs) bands (ev): -24.6940 -24.6940 -7.6184 -7.6184 -6.5791 -6.5791 -6.3177 -6.3177 -0.2296 -0.2296 -0.1809 -0.1809 5.2782 5.2782 5.6981 5.6981 7.0244 7.0244 7.1050 7.1050 7.2603 7.2603 7.4673 7.4673 9.1732 9.1732 9.2293 9.2293 9.4207 9.4207 9.4396 9.4396 9.7863 9.7863 9.9078 9.9078 11.5983 11.5983 11.7493 11.7493 12.0071 12.0071 12.7679 12.7679 k = 0.0179 0.6148 0.6343 ( 3030 PWs) bands (ev): -24.6939 -24.6939 -7.6186 -7.6186 -6.5790 -6.5790 -6.3190 -6.3190 -0.2278 -0.2278 -0.1772 -0.1772 5.2805 5.2805 5.6932 5.6932 7.0133 7.0133 7.1165 7.1165 7.2528 7.2528 7.4748 7.4748 9.1582 9.1582 9.2044 9.2044 9.4381 9.4381 9.4613 9.4613 9.7788 9.7788 9.9098 9.9098 11.5962 11.5962 11.7054 11.7054 12.0334 12.0334 12.7214 12.7214 k = 0.0238 0.6020 0.6484 ( 3028 PWs) bands (ev): -24.6937 -24.6937 -7.6187 -7.6187 -6.5790 -6.5790 -6.3208 -6.3208 -0.2252 -0.2252 -0.1720 -0.1720 5.2836 5.2836 5.6865 5.6865 7.0015 7.0015 7.1291 7.1291 7.2429 7.2429 7.4849 7.4849 9.1399 9.1399 9.1762 9.1762 9.4582 9.4582 9.4866 9.4866 9.7686 9.7686 9.9126 9.9126 11.5918 11.5918 11.6574 11.6574 12.0582 12.0582 12.6626 12.6626 k = 0.0298 0.5892 0.6625 ( 3026 PWs) bands (ev): -24.6934 -24.6934 -7.6189 -7.6189 -6.5789 -6.5789 -6.3231 -6.3231 -0.2220 -0.2220 -0.1654 -0.1654 5.2874 5.2874 5.6778 5.6778 6.9895 6.9895 7.1419 7.1419 7.2310 7.2310 7.4972 7.4972 9.1195 9.1195 9.1464 9.1464 9.4802 9.4802 9.5134 9.5134 9.7557 9.7557 9.9161 9.9161 11.5774 11.5774 11.6149 11.6149 12.0793 12.0793 12.5956 12.5956 k = 0.0357 0.5765 0.6766 ( 3024 PWs) bands (ev): -24.6931 -24.6931 -7.6192 -7.6192 -6.5789 -6.5789 -6.3259 -6.3259 -0.2181 -0.2181 -0.1573 -0.1573 5.2919 5.2919 5.6673 5.6673 6.9779 6.9779 7.1546 7.1546 7.2174 7.2174 7.5115 7.5115 9.0974 9.0974 9.1162 9.1162 9.5031 9.5031 9.5405 9.5405 9.7404 9.7404 9.9202 9.9202 11.5356 11.5356 11.5961 11.5961 12.0952 12.0952 12.5242 12.5242 k = 0.0417 0.5637 0.6907 ( 3028 PWs) bands (ev): -24.6927 -24.6927 -7.6195 -7.6195 -6.5789 -6.5789 -6.3290 -6.3290 -0.2136 -0.2136 -0.1478 -0.1478 5.2969 5.2969 5.6549 5.6549 6.9668 6.9668 7.1669 7.1669 7.2025 7.2025 7.5275 7.5275 9.0735 9.0735 9.0868 9.0868 9.5261 9.5261 9.5670 9.5670 9.7230 9.7230 9.9248 9.9248 11.4819 11.4819 11.5860 11.5860 12.1056 12.1056 12.4515 12.4515 k = 0.0476 0.5509 0.7048 ( 3028 PWs) bands (ev): -24.6923 -24.6923 -7.6198 -7.6198 -6.5790 -6.5790 -6.3325 -6.3325 -0.2084 -0.2084 -0.1370 -0.1370 5.3023 5.3023 5.6408 5.6408 6.9564 6.9564 7.1783 7.1783 7.1869 7.1869 7.5452 7.5452 9.0466 9.0466 9.0604 9.0604 9.5485 9.5485 9.5926 9.5926 9.7045 9.7045 9.9300 9.9300 11.4259 11.4259 11.5746 11.5746 12.1100 12.1100 12.3801 12.3801 k = 0.0536 0.5381 0.7189 ( 3028 PWs) bands (ev): -24.6918 -24.6918 -7.6203 -7.6203 -6.5791 -6.5791 -6.3362 -6.3362 -0.2026 -0.2026 -0.1248 -0.1248 5.3078 5.3078 5.6250 5.6250 6.9468 6.9468 7.1694 7.1694 7.1903 7.1903 7.5645 7.5645 9.0171 9.0171 9.0369 9.0369 9.5682 9.5682 9.6167 9.6167 9.6865 9.6865 9.9356 9.9356 11.3694 11.3694 11.5599 11.5599 12.1086 12.1086 12.3124 12.3124 k = 0.0595 0.5253 0.7330 ( 3024 PWs) bands (ev): -24.6913 -24.6913 -7.6208 -7.6208 -6.5793 -6.5793 -6.3403 -6.3403 -0.1962 -0.1962 -0.1113 -0.1113 5.3133 5.3133 5.6076 5.6076 6.9381 6.9381 7.1523 7.1523 7.2006 7.2006 7.5852 7.5852 8.9870 8.9870 9.0148 9.0148 9.5814 9.5814 9.6386 9.6386 9.6734 9.6734 9.9417 9.9417 11.3131 11.3131 11.5407 11.5407 12.1013 12.1013 12.2502 12.2502 k = 0.0655 0.5126 0.7471 ( 3026 PWs) bands (ev): -24.6907 -24.6907 -7.6214 -7.6214 -6.5797 -6.5797 -6.3445 -6.3445 -0.1892 -0.1892 -0.0965 -0.0965 5.3186 5.3186 5.5886 5.5886 6.9303 6.9303 7.1349 7.1349 7.2102 7.2102 7.6072 7.6072 8.9569 8.9569 8.9936 8.9936 9.5807 9.5807 9.6576 9.6576 9.6728 9.6728 9.9483 9.9483 11.2574 11.2574 11.5162 11.5162 12.0885 12.0885 12.1949 12.1949 k = 0.0714 0.4998 0.7612 ( 3026 PWs) bands (ev): -24.6901 -24.6901 -7.6220 -7.6220 -6.5801 -6.5801 -6.3488 -6.3488 -0.1817 -0.1817 -0.0806 -0.0806 5.3235 5.3235 5.5683 5.5683 6.9234 6.9234 7.1176 7.1176 7.2190 7.2190 7.6305 7.6305 8.9273 8.9273 8.9732 8.9732 9.5647 9.5647 9.6750 9.6750 9.6843 9.6843 9.9555 9.9555 11.2024 11.2024 11.4860 11.4860 12.0703 12.0703 12.1474 12.1474 k = 0.0774 0.4870 0.7753 ( 3026 PWs) bands (ev): -24.6894 -24.6894 -7.6228 -7.6228 -6.5808 -6.5808 -6.3532 -6.3532 -0.1737 -0.1737 -0.0635 -0.0635 5.3276 5.3276 5.5466 5.5466 6.9175 6.9175 7.1007 7.1007 7.2269 7.2269 7.6550 7.6550 8.8985 8.8985 8.9536 8.9536 9.5401 9.5401 9.6935 9.6935 9.6987 9.6987 9.9633 9.9633 11.1485 11.1485 11.4503 11.4503 12.0475 12.0475 12.1075 12.1075 k = 0.0833 0.4742 0.7894 ( 3024 PWs) bands (ev): -24.6888 -24.6888 -7.6236 -7.6236 -6.5816 -6.5816 -6.3576 -6.3576 -0.1653 -0.1653 -0.0454 -0.0454 5.3309 5.3309 5.5237 5.5237 6.9125 6.9125 7.0846 7.0846 7.2338 7.2338 7.6805 7.6805 8.8705 8.8705 8.9348 8.9348 9.5114 9.5114 9.7085 9.7085 9.7158 9.7158 9.9719 9.9719 11.0955 11.0955 11.4097 11.4097 12.0218 12.0218 12.0736 12.0736 k = 0.0893 0.4615 0.8035 ( 3024 PWs) bands (ev): -24.6881 -24.6881 -7.6245 -7.6245 -6.5826 -6.5826 -6.3619 -6.3619 -0.1565 -0.1565 -0.0263 -0.0263 5.3329 5.3329 5.4998 5.4998 6.9085 6.9085 7.0695 7.0695 7.2398 7.2398 7.7070 7.7070 8.8436 8.8436 8.9169 8.9169 9.4804 9.4804 9.7176 9.7176 9.7357 9.7357 9.9813 9.9813 11.0437 11.0437 11.3650 11.3650 11.9950 11.9950 12.0433 12.0433 k = 0.0952 0.4487 0.8176 ( 3028 PWs) bands (ev): -24.6873 -24.6873 -7.6255 -7.6255 -6.5839 -6.5839 -6.3660 -6.3660 -0.1473 -0.1473 -0.0062 -0.0062 5.3335 5.3335 5.4750 5.4750 6.9054 6.9054 7.0557 7.0557 7.2448 7.2448 7.7343 7.7343 8.8178 8.8178 8.9000 8.9000 9.4481 9.4481 9.7231 9.7231 9.7555 9.7555 9.9914 9.9914 10.9929 10.9929 11.3173 11.3173 11.9683 11.9683 12.0149 12.0149 k = 0.1012 0.4359 0.8317 ( 3028 PWs) bands (ev): -24.6866 -24.6866 -7.6266 -7.6266 -6.5854 -6.5854 -6.3700 -6.3700 -0.1378 -0.1378 0.0146 0.0146 5.3324 5.3324 5.4494 5.4494 6.9032 6.9032 7.0436 7.0436 7.2489 7.2489 7.7623 7.7623 8.7934 8.7934 8.8839 8.8839 9.4151 9.4151 9.7252 9.7252 9.7746 9.7746 10.0022 10.0022 10.9433 10.9433 11.2677 11.2677 11.9417 11.9417 11.9876 11.9876 k = 0.1071 0.4231 0.8458 ( 3028 PWs) bands (ev): -24.6858 -24.6858 -7.6279 -7.6279 -6.5871 -6.5871 -6.3738 -6.3738 -0.1281 -0.1281 0.0363 0.0363 5.3295 5.3295 5.4232 5.4232 6.9017 6.9017 7.0333 7.0333 7.2520 7.2520 7.7907 7.7907 8.7705 8.7705 8.8688 8.8688 9.3816 9.3816 9.7240 9.7240 9.7928 9.7928 10.0135 10.0135 10.8948 10.8948 11.2169 11.2169 11.9152 11.9152 11.9609 11.9609 k = 0.1131 0.4103 0.8599 ( 3028 PWs) bands (ev): -24.6850 -24.6850 -7.6291 -7.6291 -6.5891 -6.5891 -6.3772 -6.3772 -0.1181 -0.1181 0.0585 0.0585 5.3246 5.3246 5.3965 5.3965 6.9011 6.9011 7.0253 7.0253 7.2543 7.2543 7.8194 7.8194 8.7492 8.7492 8.8546 8.8546 9.3480 9.3480 9.7198 9.7198 9.8100 9.8100 10.0252 10.0252 10.8475 10.8475 11.1654 11.1654 11.8884 11.8884 11.9349 11.9349 k = 0.1190 0.3976 0.8740 ( 3020 PWs) bands (ev): -24.6842 -24.6842 -7.6305 -7.6305 -6.5914 -6.5914 -6.3803 -6.3803 -0.1080 -0.1080 0.0814 0.0814 5.3175 5.3175 5.3696 5.3696 6.9012 6.9012 7.0196 7.0196 7.2557 7.2557 7.8482 7.8482 8.7298 8.7298 8.8414 8.8414 9.3145 9.3145 9.7129 9.7129 9.8261 9.8261 10.0369 10.0369 10.8013 10.8013 11.1137 11.1137 11.8616 11.8616 11.9094 11.9094 k = 0.1250 0.3848 0.8881 ( 3016 PWs) bands (ev): -24.6834 -24.6834 -7.6320 -7.6320 -6.5939 -6.5939 -6.3832 -6.3832 -0.0977 -0.0977 0.1046 0.1046 5.3083 5.3083 5.3426 5.3426 6.9019 6.9019 7.0163 7.0163 7.2564 7.2564 7.8768 7.8768 8.7126 8.7126 8.8291 8.8291 9.2814 9.2814 9.7037 9.7037 9.8409 9.8409 10.0484 10.0484 10.7563 10.7563 11.0618 11.0618 11.8351 11.8351 11.8840 11.8840 k = 0.1310 0.3720 0.9021 ( 3024 PWs) bands (ev): -24.6826 -24.6826 -7.6335 -7.6335 -6.5966 -6.5966 -6.3856 -6.3856 -0.0875 -0.0875 0.1282 0.1282 5.2967 5.2967 5.3157 5.3157 6.9032 6.9032 7.0155 7.0155 7.2563 7.2563 7.9048 7.9048 8.6976 8.6976 8.8176 8.8176 9.2488 9.2488 9.6925 9.6925 9.8545 9.8545 10.0596 10.0596 10.7123 10.7123 11.0096 11.0096 11.8091 11.8091 11.8586 11.8586 k = 0.1369 0.3592 0.9162 ( 3022 PWs) bands (ev): -24.6818 -24.6818 -7.6352 -7.6352 -6.5995 -6.5995 -6.3877 -6.3877 -0.0772 -0.0772 0.1520 0.1520 5.2825 5.2825 5.2896 5.2896 6.9050 6.9050 7.0172 7.0172 7.2556 7.2556 7.9320 7.9320 8.6853 8.6853 8.8071 8.8071 9.2170 9.2170 9.6799 9.6799 9.8669 9.8669 10.0702 10.0702 10.6696 10.6696 10.9571 10.9571 11.7842 11.7842 11.8335 11.8335 k = 0.1429 0.3465 0.9303 ( 3026 PWs) bands (ev): -24.6810 -24.6810 -7.6368 -7.6368 -6.6025 -6.6025 -6.3895 -6.3895 -0.0670 -0.0670 0.1758 0.1758 5.2609 5.2609 5.2692 5.2692 6.9073 6.9073 7.0214 7.0214 7.2542 7.2542 7.9579 7.9579 8.6759 8.6759 8.7975 8.7975 9.1861 9.1861 9.6661 9.6661 9.8780 9.8780 10.0801 10.0801 10.6281 10.6281 10.9040 10.9040 11.7605 11.7605 11.8087 11.8087 k = 0.1488 0.3337 0.9444 ( 3022 PWs) bands (ev): -24.6802 -24.6802 -7.6385 -7.6385 -6.6057 -6.6057 -6.3910 -6.3910 -0.0570 -0.0570 0.1996 0.1996 5.2354 5.2354 5.2515 5.2515 6.9099 6.9099 7.0279 7.0279 7.2524 7.2524 7.9823 7.9823 8.6698 8.6698 8.7887 8.7887 9.1562 9.1562 9.6518 9.6518 9.8879 9.8879 10.0892 10.0892 10.5879 10.5879 10.8502 10.8502 11.7383 11.7383 11.7845 11.7845 k = 0.1548 0.3209 0.9585 ( 3026 PWs) bands (ev): -24.6795 -24.6795 -7.6403 -7.6403 -6.6089 -6.6089 -6.3921 -6.3921 -0.0471 -0.0471 0.2232 0.2232 5.2101 5.2101 5.2326 5.2326 6.9128 6.9128 7.0365 7.0365 7.2502 7.2502 8.0047 8.0047 8.6671 8.6671 8.7808 8.7808 9.1275 9.1275 9.6371 9.6371 9.8967 9.8967 10.0973 10.0973 10.5491 10.5491 10.7955 10.7955 11.7176 11.7176 11.7611 11.7611 k = 0.1607 0.3081 0.9726 ( 3020 PWs) bands (ev): -24.6787 -24.6787 -7.6421 -7.6421 -6.6122 -6.6122 -6.3930 -6.3930 -0.0375 -0.0375 0.2464 0.2464 5.1855 5.1855 5.2126 5.2126 6.9160 6.9160 7.0470 7.0470 7.2476 7.2476 8.0248 8.0248 8.6681 8.6681 8.7737 8.7737 9.1001 9.1001 9.6227 9.6227 9.9042 9.9042 10.1045 10.1045 10.5117 10.5117 10.7400 10.7400 11.6987 11.6987 11.7391 11.7391 k = 0.1667 0.2953 0.9867 ( 3016 PWs) bands (ev): -24.6780 -24.6780 -7.6438 -7.6438 -6.6155 -6.6155 -6.3936 -6.3936 -0.0282 -0.0282 0.2691 0.2691 5.1618 5.1618 5.1917 5.1917 6.9193 6.9193 7.0591 7.0591 7.2447 7.2447 8.0423 8.0423 8.6729 8.6729 8.7674 8.7674 9.0740 9.0740 9.6087 9.6087 9.9107 9.9107 10.1104 10.1104 10.4760 10.4760 10.6836 10.6836 11.6815 11.6815 11.7184 11.7184 k = 0.1726 0.2826 1.0008 ( 3016 PWs) bands (ev): -24.6773 -24.6773 -7.6456 -7.6456 -6.6187 -6.6187 -6.3941 -6.3941 -0.0192 -0.0192 0.2912 0.2912 5.1391 5.1391 5.1702 5.1702 6.9227 6.9227 7.0725 7.0725 7.2417 7.2417 8.0572 8.0572 8.6815 8.6815 8.7619 8.7619 9.0493 9.0493 9.5957 9.5957 9.9161 9.9161 10.1151 10.1151 10.4420 10.4420 10.6267 10.6267 11.6660 11.6660 11.6993 11.6993 k = 0.1786 0.2698 1.0149 ( 3012 PWs) bands (ev): -24.6767 -24.6767 -7.6473 -7.6473 -6.6219 -6.6219 -6.3943 -6.3943 -0.0106 -0.0106 0.3124 0.3124 5.1175 5.1175 5.1485 5.1485 6.9261 6.9261 7.0868 7.0868 7.2385 7.2385 8.0693 8.0693 8.6936 8.6936 8.7571 8.7571 9.0261 9.0261 9.5840 9.5840 9.9204 9.9204 10.1182 10.1182 10.4098 10.4098 10.5696 10.5696 11.6523 11.6523 11.6821 11.6821 k = 0.1845 0.2570 1.0290 ( 3018 PWs) bands (ev): -24.6761 -24.6761 -7.6490 -7.6490 -6.6249 -6.6249 -6.3944 -6.3944 -0.0026 -0.0026 0.3327 0.3327 5.0972 5.0972 5.1269 5.1269 6.9295 6.9295 7.1017 7.1017 7.2353 7.2353 8.0788 8.0788 8.7088 8.7088 8.7532 8.7532 9.0045 9.0045 9.5738 9.5738 9.9238 9.9238 10.1195 10.1195 10.3795 10.3795 10.5129 10.5129 11.6401 11.6401 11.6666 11.6666 k = 0.1905 0.2442 1.0431 ( 3016 PWs) bands (ev): -24.6755 -24.6755 -7.6506 -7.6506 -6.6277 -6.6277 -6.3944 -6.3944 0.0050 0.0050 0.3519 0.3519 5.0783 5.0783 5.1058 5.1058 6.9329 6.9329 7.1168 7.1168 7.2322 7.2322 8.0859 8.0859 8.7261 8.7261 8.7505 8.7505 8.9846 8.9846 9.5657 9.5657 9.9264 9.9264 10.1185 10.1185 10.3513 10.3513 10.4579 10.4579 11.6295 11.6295 11.6529 11.6529 k = 0.1964 0.2315 1.0572 ( 3010 PWs) bands (ev): -24.6750 -24.6750 -7.6521 -7.6521 -6.6304 -6.6304 -6.3942 -6.3942 0.0120 0.0120 0.3697 0.3697 5.0608 5.0608 5.0857 5.0857 6.9360 6.9360 7.1318 7.1318 7.2293 7.2293 8.0909 8.0909 8.7403 8.7403 8.7536 8.7536 8.9663 8.9663 9.5599 9.5599 9.9283 9.9283 10.1144 10.1144 10.3252 10.3252 10.4058 10.4058 11.6204 11.6204 11.6409 11.6409 k = 0.2024 0.2187 1.0713 ( 3006 PWs) bands (ev): -24.6745 -24.6745 -7.6536 -7.6536 -6.6329 -6.6329 -6.3941 -6.3941 0.0184 0.0184 0.3862 0.3862 5.0447 5.0447 5.0667 5.0667 6.9390 6.9390 7.1462 7.1462 7.2265 7.2265 8.0942 8.0942 8.7417 8.7417 8.7713 8.7713 8.9497 8.9497 9.5566 9.5566 9.9295 9.9295 10.1058 10.1058 10.3012 10.3012 10.3588 10.3588 11.6126 11.6126 11.6306 11.6306 k = 0.2083 0.2059 1.0854 ( 3004 PWs) bands (ev): -24.6741 -24.6741 -7.6549 -7.6549 -6.6351 -6.6351 -6.3938 -6.3938 0.0242 0.0242 0.4011 0.4011 5.0303 5.0303 5.0494 5.0494 6.9418 6.9418 7.1597 7.1597 7.2241 7.2241 8.0961 8.0961 8.7405 8.7405 8.7924 8.7924 8.9349 8.9349 9.5561 9.5561 9.9301 9.9301 10.0912 10.0912 10.2794 10.2794 10.3192 10.3192 11.6061 11.6061 11.6218 11.6218 k = 0.2143 0.1931 1.0995 ( 3010 PWs) bands (ev): -24.6737 -24.6737 -7.6560 -7.6560 -6.6370 -6.6370 -6.3936 -6.3936 0.0292 0.0292 0.4143 0.4143 5.0175 5.0175 5.0339 5.0339 6.9442 6.9442 7.1720 7.1720 7.2221 7.2221 8.0970 8.0970 8.7392 8.7392 8.8134 8.8134 8.9219 8.9219 9.5585 9.5585 9.9302 9.9302 10.0695 10.0695 10.2601 10.2601 10.2885 10.2885 11.6007 11.6007 11.6144 11.6144 k = 0.2202 0.1803 1.1136 ( 3014 PWs) bands (ev): -24.6734 -24.6734 -7.6570 -7.6570 -6.6387 -6.6387 -6.3934 -6.3934 0.0335 0.0335 0.4257 0.4257 5.0062 5.0062 5.0205 5.0205 6.9464 6.9464 7.1825 7.1825 7.2207 7.2207 8.0972 8.0972 8.7382 8.7382 8.8332 8.8332 8.9108 8.9108 9.5637 9.5637 9.9300 9.9300 10.0415 10.0415 10.2446 10.2446 10.2662 10.2662 11.5964 11.5964 11.6083 11.6083 k = 0.2262 0.1676 1.1277 ( 3018 PWs) bands (ev): -24.6731 -24.6731 -7.6579 -7.6579 -6.6401 -6.6401 -6.3932 -6.3932 0.0371 0.0371 0.4352 0.4352 4.9967 4.9967 5.0096 5.0096 6.9482 6.9482 7.1909 7.1909 7.2200 7.2200 8.0970 8.0970 8.7374 8.7374 8.8506 8.8506 8.9016 8.9016 9.5713 9.5713 9.9294 9.9294 10.0101 10.0101 10.2336 10.2336 10.2500 10.2500 11.5931 11.5931 11.6034 11.6034 k = 0.2321 0.1548 1.1418 ( 3018 PWs) bands (ev): -24.6729 -24.6729 -7.6585 -7.6585 -6.6412 -6.6412 -6.3930 -6.3930 0.0399 0.0399 0.4426 0.4426 4.9890 4.9890 5.0011 5.0011 6.9496 6.9496 7.1968 7.1968 7.2204 7.2204 8.0966 8.0966 8.7369 8.7369 8.8651 8.8651 8.8944 8.8944 9.5803 9.5803 9.9284 9.9284 9.9798 9.9798 10.2265 10.2265 10.2383 10.2383 11.5906 11.5906 11.5996 11.5996 k = 0.2381 0.1420 1.1559 ( 3020 PWs) bands (ev): -24.6727 -24.6727 -7.6590 -7.6590 -6.6420 -6.6420 -6.3929 -6.3929 0.0420 0.0420 0.4480 0.4480 4.9833 4.9833 4.9951 4.9951 6.9506 6.9506 7.2003 7.2003 7.2214 7.2214 8.0962 8.0962 8.7366 8.7366 8.8759 8.8759 8.8893 8.8893 9.5892 9.5892 9.9267 9.9267 9.9549 9.9549 10.2225 10.2225 10.2300 10.2300 11.5890 11.5890 11.5969 11.5969 k = 0.2440 0.1292 1.1700 ( 3024 PWs) bands (ev): -24.6727 -24.6727 -7.6593 -7.6593 -6.6425 -6.6425 -6.3928 -6.3928 0.0432 0.0432 0.4513 0.4513 4.9798 4.9798 4.9916 4.9916 6.9513 6.9513 7.2020 7.2020 7.2226 7.2226 8.0959 8.0959 8.7364 8.7364 8.8823 8.8823 8.8864 8.8864 9.5959 9.5959 9.9231 9.9231 9.9405 9.9405 10.2208 10.2208 10.2246 10.2246 11.5880 11.5880 11.5953 11.5953 k = 0.2500 0.1165 1.1841 ( 3024 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0436 0.0436 0.4523 0.4523 4.9786 4.9786 4.9904 4.9904 6.9515 6.9515 7.2024 7.2024 7.2230 7.2230 8.0958 8.0958 8.7364 8.7364 8.8838 8.8838 8.8861 8.8861 9.5984 9.5984 9.9202 9.9202 9.9369 9.9369 10.2209 10.2209 10.2222 10.2222 11.5877 11.5877 11.5947 11.5947 k = 0.2500 0.1165 1.1841 ( 3024 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0436 0.0436 0.4523 0.4523 4.9786 4.9786 4.9904 4.9904 6.9515 6.9515 7.2024 7.2024 7.2230 7.2230 8.0958 8.0958 8.7364 8.7364 8.8838 8.8838 8.8861 8.8861 9.5984 9.5984 9.9202 9.9202 9.9369 9.9369 10.2209 10.2209 10.2222 10.2222 11.5877 11.5877 11.5947 11.5947 k = 0.2667 0.1242 1.1755 ( 3024 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3928 -6.3928 0.0435 0.0435 0.4521 0.4521 4.9716 4.9716 4.9980 4.9980 6.9508 6.9508 7.1965 7.1965 7.2287 7.2287 8.0979 8.0979 8.7348 8.7348 8.8795 8.8795 8.8901 8.8901 9.5983 9.5983 9.9146 9.9146 9.9436 9.9436 10.2204 10.2204 10.2231 10.2231 11.5878 11.5878 11.5947 11.5947 k = 0.2833 0.1320 1.1669 ( 3023 PWs) bands (ev): -24.6727 -24.6727 -7.6593 -7.6593 -6.6425 -6.6425 -6.3928 -6.3928 0.0433 0.0433 0.4515 0.4515 4.9623 4.9623 5.0092 5.0092 6.9490 6.9490 7.1851 7.1851 7.2390 7.2390 8.1039 8.1039 8.7303 8.7303 8.8740 8.8740 8.8948 8.8948 9.5983 9.5983 9.9043 9.9043 9.9566 9.9566 10.2199 10.2199 10.2248 10.2248 11.5880 11.5880 11.5950 11.5950 k = 0.3000 0.1398 1.1584 ( 3017 PWs) bands (ev): -24.6727 -24.6727 -7.6593 -7.6593 -6.6424 -6.6424 -6.3928 -6.3928 0.0431 0.0431 0.4503 0.4503 4.9536 4.9536 5.0212 5.0212 6.9459 6.9459 7.1728 7.1728 7.2496 7.2496 8.1138 8.1138 8.7228 8.7228 8.8674 8.8674 8.8998 8.8998 9.5994 9.5994 9.8932 9.8932 9.9715 9.9715 10.2194 10.2194 10.2271 10.2271 11.5885 11.5885 11.5954 11.5954 k = 0.3167 0.1475 1.1498 ( 3023 PWs) bands (ev): -24.6727 -24.6727 -7.6591 -7.6591 -6.6421 -6.6421 -6.3928 -6.3928 0.0429 0.0429 0.4484 0.4484 4.9460 4.9460 5.0336 5.0336 6.9416 6.9416 7.1605 7.1605 7.2595 7.2595 8.1273 8.1273 8.7122 8.7122 8.8600 8.8600 8.9047 8.9047 9.6020 9.6020 9.8820 9.8820 9.9868 9.9868 10.2189 10.2189 10.2298 10.2298 11.5890 11.5890 11.5960 11.5960 k = 0.3333 0.1553 1.1412 ( 3021 PWs) bands (ev): -24.6728 -24.6728 -7.6590 -7.6590 -6.6419 -6.6419 -6.3929 -6.3929 0.0428 0.0428 0.4459 0.4459 4.9398 4.9398 5.0461 5.0461 6.9362 6.9362 7.1485 7.1485 7.2685 7.2685 8.1440 8.1440 8.6984 8.6984 8.8521 8.8521 8.9100 8.9100 9.6064 9.6064 9.8711 9.8711 10.0018 10.0018 10.2184 10.2184 10.2332 10.2332 11.5897 11.5897 11.5968 11.5968 k = 0.3500 0.1630 1.1327 ( 3021 PWs) bands (ev): -24.6728 -24.6728 -7.6588 -7.6588 -6.6416 -6.6416 -6.3930 -6.3930 0.0429 0.0429 0.4425 0.4425 4.9352 4.9352 5.0587 5.0587 6.9299 6.9299 7.1370 7.1370 7.2764 7.2764 8.1635 8.1635 8.6811 8.6811 8.8441 8.8441 8.9152 8.9152 9.6126 9.6126 9.8608 9.8608 10.0162 10.0162 10.2179 10.2179 10.2369 10.2369 11.5906 11.5906 11.5979 11.5979 k = 0.3667 0.1708 1.1241 ( 3017 PWs) bands (ev): -24.6729 -24.6729 -7.6585 -7.6585 -6.6412 -6.6412 -6.3930 -6.3930 0.0431 0.0431 0.4384 0.4384 4.9323 4.9323 5.0711 5.0711 6.9229 6.9229 7.1263 7.1263 7.2834 7.2834 8.1855 8.1855 8.6604 8.6604 8.8364 8.8364 8.9204 8.9204 9.6208 9.6208 9.8511 9.8511 10.0296 10.0296 10.2173 10.2173 10.2411 10.2411 11.5915 11.5915 11.5994 11.5994 k = 0.3833 0.1786 1.1155 ( 3016 PWs) bands (ev): -24.6730 -24.6730 -7.6583 -7.6583 -6.6407 -6.6407 -6.3931 -6.3931 0.0435 0.0435 0.4333 0.4333 4.9311 4.9311 5.0832 5.0832 6.9154 6.9154 7.1165 7.1165 7.2891 7.2891 8.2095 8.2095 8.6361 8.6361 8.8292 8.8292 8.9256 8.9256 9.6308 9.6308 9.8423 9.8423 10.0418 10.0418 10.2168 10.2168 10.2457 10.2457 11.5923 11.5923 11.6015 11.6015 k = 0.4000 0.1863 1.1070 ( 3022 PWs) bands (ev): -24.6731 -24.6731 -7.6580 -7.6580 -6.6402 -6.6402 -6.3932 -6.3932 0.0441 0.0441 0.4275 0.4275 4.9319 4.9319 5.0949 5.0949 6.9076 6.9076 7.1077 7.1077 7.2938 7.2938 8.2350 8.2350 8.6086 8.6086 8.8226 8.8226 8.9307 8.9307 9.6423 9.6423 9.8343 9.8343 10.0527 10.0527 10.2161 10.2161 10.2507 10.2507 11.5930 11.5930 11.6040 11.6040 k = 0.4167 0.1941 1.0984 ( 3022 PWs) bands (ev): -24.6732 -24.6732 -7.6576 -7.6576 -6.6397 -6.6397 -6.3934 -6.3934 0.0450 0.0450 0.4207 0.4207 4.9345 4.9345 5.1062 5.1062 6.8996 6.8996 7.1000 7.1000 7.2972 7.2972 8.2617 8.2617 8.5783 8.5783 8.8167 8.8167 8.9356 8.9356 9.6552 9.6552 9.8275 9.8275 10.0624 10.0624 10.2155 10.2155 10.2561 10.2561 11.5936 11.5936 11.6072 11.6072 k = 0.4333 0.2019 1.0899 ( 3019 PWs) bands (ev): -24.6733 -24.6733 -7.6572 -7.6572 -6.6390 -6.6390 -6.3935 -6.3935 0.0461 0.0461 0.4132 0.4132 4.9389 4.9389 5.1168 5.1168 6.8917 6.8917 7.0937 7.0937 7.2995 7.2995 8.2893 8.2893 8.5456 8.5456 8.8114 8.8114 8.9403 8.9403 9.6691 9.6691 9.8216 9.8216 10.0710 10.0710 10.2149 10.2149 10.2619 10.2619 11.5941 11.5941 11.6110 11.6110 k = 0.4500 0.2096 1.0813 ( 3015 PWs) bands (ev): -24.6734 -24.6734 -7.6568 -7.6568 -6.6384 -6.6384 -6.3937 -6.3937 0.0473 0.0473 0.4049 0.4049 4.9451 4.9451 5.1268 5.1268 6.8841 6.8841 7.0887 7.0887 7.3004 7.3004 8.3173 8.3173 8.5111 8.5111 8.8065 8.8065 8.9448 8.9448 9.6838 9.6838 9.8168 9.8168 10.0788 10.0788 10.2143 10.2143 10.2683 10.2683 11.5945 11.5945 11.6153 11.6153 k = 0.4667 0.2174 1.0727 ( 3015 PWs) bands (ev): -24.6736 -24.6736 -7.6564 -7.6564 -6.6376 -6.6376 -6.3938 -6.3938 0.0486 0.0486 0.3959 0.3959 4.9531 4.9531 5.1360 5.1360 6.8769 6.8769 7.0851 7.0851 7.3000 7.3000 8.3453 8.3453 8.4758 8.4758 8.8018 8.8018 8.9491 8.9491 9.6987 9.6987 9.8131 9.8131 10.0860 10.0860 10.2136 10.2136 10.2751 10.2751 11.5947 11.5947 11.6201 11.6201 k = 0.4833 0.2252 1.0642 ( 3019 PWs) bands (ev): -24.6737 -24.6737 -7.6559 -7.6559 -6.6368 -6.6368 -6.3940 -6.3940 0.0499 0.0499 0.3864 0.3864 4.9626 4.9626 5.1444 5.1444 6.8702 6.8702 7.0829 7.0829 7.2982 7.2982 8.3714 8.3714 8.4414 8.4414 8.7972 8.7972 8.9532 8.9532 9.7133 9.7133 9.8104 9.8104 10.0934 10.0934 10.2128 10.2128 10.2825 10.2825 11.5949 11.5949 11.6253 11.6253 k = 0.5000 0.2329 1.0556 ( 3014 PWs) bands (ev): -24.6739 -24.6739 -7.6554 -7.6554 -6.6360 -6.6360 -6.3942 -6.3942 0.0512 0.0512 0.3765 0.3765 4.9734 4.9734 5.1520 5.1520 6.8641 6.8641 7.0822 7.0822 7.2951 7.2951 8.3821 8.3821 8.4224 8.4224 8.7925 8.7925 8.9570 8.9570 9.7271 9.7271 9.8088 9.8088 10.1014 10.1014 10.2120 10.2120 10.2905 10.2905 11.5951 11.5951 11.6310 11.6310 k = 0.5000 0.2329 1.0556 ( 3014 PWs) bands (ev): -24.6739 -24.6739 -7.6554 -7.6554 -6.6360 -6.6360 -6.3942 -6.3942 0.0512 0.0512 0.3765 0.3765 4.9734 4.9734 5.1520 5.1520 6.8641 6.8641 7.0822 7.0822 7.2951 7.2951 8.3821 8.3821 8.4224 8.4224 8.7925 8.7925 8.9570 8.9570 9.7271 9.7271 9.8088 9.8088 10.1014 10.1014 10.2120 10.2120 10.2905 10.2905 11.5951 11.5951 11.6310 11.6310 k = 0.5000 0.2329 1.0353 ( 3014 PWs) bands (ev): -24.6743 -24.6743 -7.6540 -7.6540 -6.6337 -6.6337 -6.3947 -6.3947 0.0540 0.0540 0.3512 0.3512 5.0026 5.0026 5.1704 5.1704 6.8491 6.8491 7.0824 7.0824 7.2857 7.2857 8.3511 8.3511 8.4323 8.4323 8.7815 8.7815 8.9666 8.9666 9.7592 9.7592 9.8065 9.8065 10.1232 10.1232 10.2101 10.2101 10.3114 10.3114 11.5953 11.5953 11.6460 11.6460 k = 0.5000 0.2329 1.0150 ( 3018 PWs) bands (ev): -24.6748 -24.6748 -7.6525 -7.6525 -6.6311 -6.6311 -6.3952 -6.3952 0.0570 0.0570 0.3229 0.3229 5.0351 5.0351 5.1914 5.1914 6.8311 6.8311 7.0824 7.0824 7.2766 7.2766 8.3152 8.3152 8.4448 8.4448 8.7711 8.7711 8.9775 8.9775 9.7902 9.7902 9.8076 9.8076 10.1480 10.1480 10.2080 10.2080 10.3349 10.3349 11.5956 11.5956 11.6632 11.6632 k = 0.5000 0.2329 0.9947 ( 3014 PWs) bands (ev): -24.6753 -24.6753 -7.6507 -7.6507 -6.6282 -6.6282 -6.3958 -6.3958 0.0603 0.0603 0.2918 0.2918 5.0706 5.0706 5.2151 5.2151 6.8101 6.8101 7.0824 7.0824 7.2679 7.2679 8.2757 8.2757 8.4592 8.4592 8.7614 8.7614 8.9898 8.9898 9.7985 9.7985 9.8335 9.8335 10.1755 10.1755 10.2061 10.2061 10.3608 10.3608 11.5958 11.5958 11.6825 11.6825 k = 0.5000 0.2329 0.9744 ( 3016 PWs) bands (ev): -24.6759 -24.6759 -7.6488 -7.6488 -6.6249 -6.6249 -6.3965 -6.3965 0.0636 0.0636 0.2582 0.2582 5.1090 5.1090 5.2412 5.2412 6.7860 6.7860 7.0823 7.0823 7.2601 7.2601 8.2336 8.2336 8.4753 8.4753 8.7522 8.7522 9.0032 9.0032 9.7978 9.7978 9.8699 9.8699 10.1994 10.1994 10.2107 10.2107 10.3890 10.3890 11.5960 11.5960 11.7041 11.7041 k = 0.5000 0.2329 0.9541 ( 3016 PWs) bands (ev): -24.6765 -24.6765 -7.6467 -7.6467 -6.6213 -6.6213 -6.3972 -6.3972 0.0671 0.0671 0.2222 0.2222 5.1497 5.1497 5.2699 5.2699 6.7588 6.7588 7.0821 7.0821 7.2534 7.2534 8.1893 8.1893 8.4931 8.4931 8.7433 8.7433 9.0181 9.0181 9.7971 9.7971 9.9079 9.9079 10.1995 10.1995 10.2419 10.2419 10.4194 10.4194 11.5962 11.5962 11.7279 11.7279 k = 0.5000 0.2329 0.9338 ( 3024 PWs) bands (ev): -24.6772 -24.6772 -7.6444 -7.6444 -6.6174 -6.6174 -6.3980 -6.3980 0.0705 0.0705 0.1843 0.1843 5.1925 5.1925 5.3011 5.3011 6.7287 6.7287 7.0817 7.0817 7.2480 7.2480 8.1435 8.1435 8.5124 8.5124 8.7344 8.7344 9.0341 9.0341 9.7970 9.7970 9.9466 9.9466 10.1971 10.1971 10.2784 10.2784 10.4520 10.4520 11.5964 11.5964 11.7538 11.7538 k = 0.5000 0.2329 0.9135 ( 3024 PWs) bands (ev): -24.6780 -24.6780 -7.6419 -7.6419 -6.6132 -6.6132 -6.3988 -6.3988 0.0737 0.0737 0.1446 0.1446 5.2370 5.2370 5.3348 5.3348 6.6958 6.6958 7.0811 7.0811 7.2439 7.2439 8.0968 8.0968 8.5335 8.5335 8.7255 8.7255 9.0514 9.0514 9.7977 9.7977 9.9858 9.9858 10.1948 10.1948 10.3180 10.3180 10.4867 10.4867 11.5965 11.5965 11.7819 11.7819 k = 0.5000 0.2329 0.8932 ( 3016 PWs) bands (ev): -24.6788 -24.6788 -7.6392 -7.6392 -6.6086 -6.6086 -6.3997 -6.3997 0.0768 0.0768 0.1034 0.1034 5.2829 5.2829 5.3709 5.3709 6.6606 6.6606 7.0803 7.0803 7.2412 7.2412 8.0494 8.0494 8.5562 8.5562 8.7162 8.7162 9.0700 9.0700 9.7995 9.7995 10.0250 10.0250 10.1929 10.1929 10.3605 10.3605 10.5236 10.5236 11.5967 11.5967 11.8123 11.8123 k = 0.5000 0.2329 0.8729 ( 3016 PWs) bands (ev): -24.6796 -24.6796 -7.6364 -7.6364 -6.6037 -6.6037 -6.4006 -6.4006 0.0609 0.0609 0.0797 0.0797 5.3299 5.3299 5.4093 5.4093 6.6232 6.6232 7.0792 7.0792 7.2397 7.2397 8.0019 8.0019 8.5804 8.5804 8.7065 8.7065 9.0896 9.0896 9.8023 9.8023 10.0636 10.0636 10.1921 10.1921 10.4058 10.4058 10.5624 10.5624 11.5967 11.5967 11.8452 11.8452 k = 0.5000 0.2329 0.8526 ( 3020 PWs) bands (ev): -24.6805 -24.6805 -7.6335 -7.6335 -6.5985 -6.5985 -6.4016 -6.4016 0.0173 0.0173 0.0822 0.0822 5.3776 5.3776 5.4501 5.4501 6.5839 6.5839 7.0779 7.0779 7.2395 7.2395 7.9545 7.9545 8.6061 8.6061 8.6961 8.6961 9.1103 9.1103 9.8060 9.8060 10.1000 10.1000 10.1936 10.1936 10.4538 10.4538 10.6032 10.6032 11.5967 11.5967 11.8803 11.8803 k = 0.5000 0.2329 0.8323 ( 3020 PWs) bands (ev): -24.6814 -24.6814 -7.6304 -7.6304 -6.5930 -6.5930 -6.4025 -6.4025 -0.0271 -0.0271 0.0842 0.0842 5.4258 5.4258 5.4930 5.4930 6.5433 6.5433 7.0762 7.0762 7.2406 7.2406 7.9075 7.9075 8.6334 8.6334 8.6851 8.6851 9.1320 9.1320 9.8109 9.8109 10.1301 10.1301 10.2020 10.2020 10.5044 10.5044 10.6461 10.6461 11.5966 11.5966 11.9180 11.9180 k = 0.5000 0.2329 0.8120 ( 3024 PWs) bands (ev): -24.6824 -24.6824 -7.6271 -7.6271 -6.5872 -6.5872 -6.4036 -6.4036 -0.0721 -0.0721 0.0857 0.0857 5.4742 5.4742 5.5382 5.5382 6.5015 6.5015 7.0742 7.0742 7.2427 7.2427 7.8612 7.8612 8.6616 8.6616 8.6739 8.6739 9.1547 9.1547 9.8170 9.8170 10.1475 10.1475 10.2233 10.2233 10.5575 10.5575 10.6908 10.6908 11.5964 11.5964 11.9583 11.9583 k = 0.5000 0.2329 0.7917 ( 3020 PWs) bands (ev): -24.6833 -24.6833 -7.6237 -7.6237 -6.5812 -6.5812 -6.4046 -6.4046 -0.1176 -0.1176 0.0866 0.0866 5.5225 5.5225 5.5854 5.5854 6.4588 6.4588 7.0719 7.0719 7.2460 7.2460 7.8158 7.8158 8.6599 8.6599 8.6932 8.6932 9.1783 9.1783 9.8243 9.8243 10.1536 10.1536 10.2563 10.2563 10.6131 10.6131 10.7376 10.7376 11.5962 11.5962 12.0012 12.0012 k = 0.5000 0.2329 0.7714 ( 3020 PWs) bands (ev): -24.6844 -24.6844 -7.6202 -7.6202 -6.5748 -6.5748 -6.4057 -6.4057 -0.1633 -0.1633 0.0868 0.0868 5.5705 5.5705 5.6347 5.6347 6.4157 6.4157 7.0692 7.0692 7.2503 7.2503 7.7714 7.7714 8.6464 8.6464 8.7249 8.7249 9.2027 9.2027 9.8328 9.8328 10.1549 10.1549 10.2945 10.2945 10.6709 10.6709 10.7863 10.7863 11.5958 11.5958 12.0469 12.0469 k = 0.5000 0.2329 0.7511 ( 3022 PWs) bands (ev): -24.6854 -24.6854 -7.6166 -7.6166 -6.5681 -6.5681 -6.4067 -6.4067 -0.2091 -0.2091 0.0863 0.0863 5.6179 5.6179 5.6860 5.6860 6.3722 6.3722 7.0661 7.0661 7.2555 7.2555 7.7282 7.7282 8.6317 8.6317 8.7582 8.7582 9.2277 9.2277 9.8425 9.8425 10.1543 10.1543 10.3346 10.3346 10.7306 10.7306 10.8369 10.8369 11.5954 11.5954 12.0955 12.0955 k = 0.5000 0.2329 0.7308 ( 3018 PWs) bands (ev): -24.6865 -24.6865 -7.6128 -7.6128 -6.5612 -6.5612 -6.4078 -6.4078 -0.2549 -0.2549 0.0850 0.0850 5.6647 5.6647 5.7392 5.7392 6.3288 6.3288 7.0626 7.0626 7.2617 7.2617 7.6863 7.6863 8.6161 8.6161 8.7930 8.7930 9.2533 9.2533 9.8536 9.8536 10.1533 10.1533 10.3755 10.3755 10.7922 10.7922 10.8895 10.8895 11.5948 11.5948 12.1472 12.1472 k = 0.5000 0.2329 0.7105 ( 3012 PWs) bands (ev): -24.6876 -24.6876 -7.6090 -7.6090 -6.5541 -6.5541 -6.4089 -6.4089 -0.3004 -0.3004 0.0829 0.0829 5.7105 5.7105 5.7941 5.7941 6.2855 6.2855 7.0588 7.0588 7.2688 7.2688 7.6458 7.6458 8.5996 8.5996 8.8291 8.8291 9.2793 9.2793 9.8659 9.8659 10.1523 10.1523 10.4165 10.4165 10.8552 10.8552 10.9440 10.9440 11.5941 11.5941 12.2018 12.2018 k = 0.5000 0.2329 0.6902 ( 3022 PWs) bands (ev): -24.6888 -24.6888 -7.6051 -7.6051 -6.5467 -6.5467 -6.4099 -6.4099 -0.3456 -0.3456 0.0798 0.0798 5.7553 5.7553 5.8508 5.8508 6.2426 6.2426 7.0545 7.0545 7.2768 7.2768 7.6067 7.6067 8.5820 8.5820 8.8665 8.8665 9.3056 9.3056 9.8793 9.8793 10.1515 10.1515 10.4572 10.4572 10.9192 10.9192 11.0004 11.0004 11.5932 11.5932 12.2595 12.2595 k = 0.5000 0.2329 0.6699 ( 3014 PWs) bands (ev): -24.6899 -24.6899 -7.6011 -7.6011 -6.5391 -6.5391 -6.4110 -6.4110 -0.3903 -0.3903 0.0758 0.0758 5.7990 5.7990 5.9092 5.9092 6.2003 6.2003 7.0498 7.0498 7.2856 7.2856 7.5692 7.5692 8.5638 8.5638 8.9052 8.9052 9.3320 9.3320 9.8941 9.8941 10.1514 10.1514 10.4975 10.4975 10.9837 10.9837 11.0586 11.0586 11.5922 11.5922 12.3203 12.3203 k = 0.5000 0.2329 0.6496 ( 3022 PWs) bands (ev): -24.6911 -24.6911 -7.5971 -7.5971 -6.5313 -6.5313 -6.4120 -6.4120 -0.4345 -0.4345 0.0708 0.0708 5.8413 5.8413 5.9690 5.9690 6.1589 6.1589 7.0447 7.0447 7.2953 7.2953 7.5333 7.5333 8.5447 8.5447 8.9450 8.9450 9.3582 9.3582 9.9099 9.9099 10.1521 10.1521 10.5370 10.5370 11.0482 11.0482 11.1186 11.1186 11.5910 11.5910 12.3841 12.3841 k = 0.5000 0.2329 0.6293 ( 3026 PWs) bands (ev): -24.6922 -24.6922 -7.5930 -7.5930 -6.5233 -6.5233 -6.4130 -6.4130 -0.4779 -0.4779 0.0649 0.0649 5.8824 5.8824 6.0301 6.0301 6.1185 6.1185 7.0393 7.0393 7.3058 7.3058 7.4988 7.4988 8.5248 8.5248 8.9859 8.9859 9.3841 9.3841 9.9269 9.9269 10.1539 10.1539 10.5758 10.5758 11.1119 11.1119 11.1803 11.1803 11.5896 11.5896 12.4508 12.4508 k = 0.5000 0.2329 0.6090 ( 3018 PWs) bands (ev): -24.6934 -24.6934 -7.5888 -7.5888 -6.5152 -6.5152 -6.4139 -6.4139 -0.5206 -0.5206 0.0579 0.0579 5.9221 5.9221 6.0746 6.0746 6.0970 6.0970 7.0335 7.0335 7.3172 7.3172 7.4660 7.4660 8.5043 8.5043 9.0280 9.0280 9.4094 9.4094 9.9450 9.9450 10.1570 10.1570 10.6135 10.6135 11.1740 11.1740 11.2437 11.2437 11.5881 11.5881 12.5202 12.5202 k = 0.5000 0.2329 0.5887 ( 3022 PWs) bands (ev): -24.6946 -24.6946 -7.5847 -7.5847 -6.5069 -6.5069 -6.4148 -6.4148 -0.5624 -0.5624 0.0500 0.0500 5.9603 5.9603 6.0388 6.0388 6.1582 6.1582 7.0274 7.0274 7.3293 7.3293 7.4347 7.4347 8.4832 8.4832 9.0710 9.0710 9.4338 9.4338 9.9640 9.9640 10.1615 10.1615 10.6500 10.6500 11.2330 11.2330 11.3087 11.3087 11.5864 11.5864 12.5920 12.5920 k = 0.5000 0.2329 0.5684 ( 3018 PWs) bands (ev): -24.6958 -24.6958 -7.5805 -7.5805 -6.4985 -6.4985 -6.4156 -6.4156 -0.6033 -0.6033 0.0411 0.0411 5.9948 5.9948 6.0041 6.0041 6.2232 6.2232 7.0210 7.0210 7.3422 7.3422 7.4049 7.4049 8.4617 8.4617 9.1149 9.1149 9.4570 9.4570 9.9840 9.9840 10.1678 10.1678 10.6854 10.6854 11.2876 11.2876 11.3754 11.3754 11.5847 11.5847 12.6659 12.6659 k = 0.5000 0.2329 0.5481 ( 3016 PWs) bands (ev): -24.6970 -24.6970 -7.5764 -7.5764 -6.4901 -6.4901 -6.4164 -6.4164 -0.6432 -0.6432 0.0313 0.0313 5.9648 5.9648 6.0335 6.0335 6.2893 6.2893 7.0143 7.0143 7.3559 7.3559 7.3765 7.3765 8.4398 8.4398 9.1597 9.1597 9.4787 9.4787 10.0048 10.0048 10.1760 10.1760 10.7194 10.7194 11.3362 11.3362 11.4438 11.4438 11.5827 11.5827 12.7413 12.7413 k = 0.5000 0.2329 0.5278 ( 3020 PWs) bands (ev): -24.6981 -24.6981 -7.5723 -7.5723 -6.4816 -6.4816 -6.4171 -6.4171 -0.6820 -0.6820 0.0206 0.0206 5.9299 5.9299 6.0678 6.0678 6.3564 6.3564 7.0073 7.0073 7.3494 7.3494 7.3703 7.3703 8.4175 8.4175 9.2054 9.2054 9.4986 9.4986 10.0263 10.0263 10.1863 10.1863 10.7521 10.7521 11.3770 11.3770 11.5139 11.5139 11.5807 11.5807 12.8177 12.8177 k = 0.5000 0.2329 0.5075 ( 3020 PWs) bands (ev): -24.6993 -24.6993 -7.5682 -7.5682 -6.4731 -6.4731 -6.4176 -6.4176 -0.7196 -0.7196 0.0091 0.0091 5.8962 5.8962 6.1009 6.1009 6.4242 6.4242 7.0001 7.0001 7.3236 7.3236 7.3853 7.3853 8.3951 8.3951 9.2517 9.2517 9.5164 9.5164 10.0486 10.0486 10.1989 10.1989 10.7834 10.7834 11.4087 11.4087 11.5774 11.5774 11.5868 11.5868 12.8943 12.8943 k = 0.5000 0.2329 0.4872 ( 3012 PWs) bands (ev): -24.7005 -24.7005 -7.5641 -7.5641 -6.4647 -6.4647 -6.4180 -6.4180 -0.7561 -0.7561 -0.0032 -0.0032 5.8638 5.8638 6.1329 6.1329 6.4927 6.4927 6.9928 6.9928 7.2991 7.2991 7.4009 7.4009 8.3725 8.3725 9.2985 9.2985 9.5319 9.5319 10.0717 10.0717 10.2140 10.2140 10.8134 10.8134 11.4302 11.4302 11.5754 11.5754 11.6598 11.6598 12.9702 12.9702 k = 0.5000 0.2329 0.4669 ( 3012 PWs) bands (ev): -24.7016 -24.7016 -7.5602 -7.5602 -6.4564 -6.4564 -6.4182 -6.4182 -0.7913 -0.7913 -0.0162 -0.0162 5.8329 5.8329 6.1638 6.1638 6.5617 6.5617 6.9853 6.9853 7.2756 7.2756 7.4172 7.4172 8.3499 8.3499 9.3458 9.3458 9.5449 9.5449 10.0953 10.0953 10.2315 10.2315 10.8420 10.8420 11.4412 11.4412 11.5721 11.5721 11.7351 11.7351 13.0443 13.0443 k = 0.5000 0.2329 0.4466 ( 3006 PWs) bands (ev): -24.7027 -24.7027 -7.5563 -7.5563 -6.4485 -6.4485 -6.4180 -6.4180 -0.8253 -0.8253 -0.0298 -0.0298 5.8033 5.8033 6.1937 6.1937 6.6310 6.6310 6.9778 6.9778 7.2530 7.2530 7.4339 7.4339 8.3274 8.3274 9.3936 9.3936 9.5552 9.5552 10.1194 10.1194 10.2515 10.2515 10.8691 10.8691 11.4421 11.4421 11.5677 11.5677 11.8120 11.8120 13.1154 13.1154 k = 0.5000 0.2329 0.4263 ( 3006 PWs) bands (ev): -24.7038 -24.7038 -7.5525 -7.5525 -6.4412 -6.4412 -6.4173 -6.4173 -0.8579 -0.8579 -0.0440 -0.0440 5.7752 5.7752 6.2227 6.2227 6.7005 6.7005 6.9702 6.9702 7.2313 7.2313 7.4510 7.4510 8.3051 8.3051 9.4416 9.4416 9.5629 9.5629 10.1439 10.1439 10.2737 10.2737 10.8950 10.8950 11.4337 11.4337 11.5623 11.5623 11.8903 11.8903 13.1821 13.1821 k = 0.5000 0.2329 0.4060 ( 3010 PWs) bands (ev): -24.7049 -24.7049 -7.5488 -7.5488 -6.4350 -6.4350 -6.4154 -6.4154 -0.8892 -0.8892 -0.0585 -0.0585 5.7484 5.7484 6.2509 6.2509 6.7699 6.7699 6.9626 6.9626 7.2104 7.2104 7.4685 7.4685 8.2829 8.2829 9.4895 9.4895 9.5681 9.5681 10.1687 10.1687 10.2981 10.2981 10.9195 10.9195 11.4169 11.4169 11.5560 11.5560 11.9699 11.9699 13.2427 13.2427 k = 0.5000 0.2329 0.3857 ( 3010 PWs) bands (ev): -24.7059 -24.7059 -7.5452 -7.5452 -6.4307 -6.4307 -6.4116 -6.4116 -0.9191 -0.9191 -0.0734 -0.0734 5.7231 5.7231 6.2784 6.2784 6.8391 6.8391 6.9551 6.9551 7.1900 7.1900 7.4862 7.4862 8.2611 8.2611 9.5366 9.5366 9.5717 9.5717 10.1937 10.1937 10.3244 10.3244 10.9427 10.9427 11.3929 11.3929 11.5491 11.5491 12.0507 12.0507 13.2016 13.2016 k = 0.5000 0.2329 0.3654 ( 3012 PWs) bands (ev): -24.7069 -24.7069 -7.5417 -7.5417 -6.4283 -6.4283 -6.4061 -6.4061 -0.9476 -0.9476 -0.0884 -0.0884 5.6992 5.6992 6.3053 6.3053 6.9077 6.9077 6.9479 6.9479 7.1702 7.1702 7.5041 7.5041 8.2398 8.2398 9.5654 9.5654 9.5910 9.5910 10.2187 10.2187 10.3524 10.3524 10.9646 10.9646 11.3632 11.3632 11.5415 11.5415 12.1326 12.1326 13.1272 13.1272 k = 0.5000 0.2329 0.3451 ( 3016 PWs) bands (ev): -24.7079 -24.7079 -7.5384 -7.5384 -6.4271 -6.4271 -6.3995 -6.3995 -0.9747 -0.9747 -0.1035 -0.1035 5.6767 5.6767 6.3317 6.3317 6.9398 6.9398 6.9765 6.9765 7.1509 7.1509 7.5220 7.5220 8.2190 8.2190 9.5652 9.5652 9.6368 9.6368 10.2436 10.2436 10.3819 10.3819 10.9852 10.9852 11.3289 11.3289 11.5334 11.5334 12.2153 12.2153 13.0543 13.0543 k = 0.5000 0.2329 0.3248 ( 3012 PWs) bands (ev): -24.7088 -24.7088 -7.5353 -7.5353 -6.4265 -6.4265 -6.3925 -6.3925 -1.0003 -1.0003 -0.1186 -0.1186 5.6556 5.6556 6.3576 6.3576 6.9329 6.9329 7.0434 7.0434 7.1320 7.1320 7.5398 7.5398 8.1989 8.1989 9.5609 9.5609 9.6844 9.6844 10.2683 10.2683 10.4127 10.4127 11.0046 11.0046 11.2915 11.2915 11.5247 11.5247 12.2986 12.2986 12.9834 12.9834 k = 0.5000 0.2329 0.3045 ( 3016 PWs) bands (ev): -24.7097 -24.7097 -7.5323 -7.5323 -6.4262 -6.4262 -6.3854 -6.3854 -1.0244 -1.0244 -0.1336 -0.1336 5.6358 5.6358 6.3832 6.3832 6.9260 6.9260 7.1050 7.1050 7.1175 7.1175 7.5575 7.5575 8.1794 8.1794 9.5544 9.5544 9.7318 9.7318 10.2923 10.2923 10.4444 10.4444 11.0226 11.0226 11.2522 11.2522 11.5152 11.5152 12.3824 12.3824 12.9150 12.9150 k = 0.5000 0.2329 0.2842 ( 3016 PWs) bands (ev): -24.7106 -24.7106 -7.5294 -7.5294 -6.4260 -6.4260 -6.3785 -6.3785 -1.0471 -1.0471 -0.1482 -0.1482 5.6175 5.6175 6.4084 6.4084 6.9193 6.9193 7.0932 7.0932 7.1752 7.1752 7.5748 7.5748 8.1609 8.1609 9.5461 9.5461 9.7788 9.7788 10.3156 10.3156 10.4767 10.4767 11.0392 11.0392 11.2120 11.2120 11.5050 11.5050 12.4661 12.4661 12.8494 12.8494 k = 0.5000 0.2329 0.2639 ( 3014 PWs) bands (ev): -24.7114 -24.7114 -7.5267 -7.5267 -6.4259 -6.4259 -6.3717 -6.3717 -1.0682 -1.0682 -0.1625 -0.1625 5.6004 5.6004 6.4333 6.4333 6.9129 6.9129 7.0746 7.0746 7.2380 7.2380 7.5918 7.5918 8.1432 8.1432 9.5363 9.5363 9.8250 9.8250 10.3382 10.3382 10.5094 10.5094 11.0539 11.0539 11.1721 11.1721 11.4940 11.4940 12.5494 12.5494 12.7872 12.7872 k = 0.5000 0.2329 0.2436 ( 3012 PWs) bands (ev): -24.7121 -24.7121 -7.5243 -7.5243 -6.4257 -6.4257 -6.3653 -6.3653 -1.0878 -1.0878 -0.1762 -0.1762 5.5847 5.5847 6.4580 6.4580 6.9068 6.9068 7.0558 7.0558 7.2989 7.2989 7.6081 7.6081 8.1264 8.1264 9.5254 9.5254 9.8703 9.8703 10.3597 10.3597 10.5423 10.5423 11.0650 11.0650 11.1348 11.1348 11.4820 11.4820 12.6308 12.6308 12.7299 12.7299 k = 0.5000 0.2329 0.2233 ( 3012 PWs) bands (ev): -24.7128 -24.7128 -7.5219 -7.5219 -6.4256 -6.4256 -6.3592 -6.3592 -1.1059 -1.1059 -0.1893 -0.1893 5.5704 5.5704 6.4824 6.4824 6.9011 6.9011 7.0369 7.0369 7.3574 7.3574 7.6238 7.6238 8.1107 8.1107 9.5134 9.5134 9.9144 9.9144 10.3800 10.3800 10.5749 10.5749 11.0637 11.0637 11.1095 11.1095 11.4692 11.4692 12.6662 12.6662 12.7212 12.7212 k = 0.5000 0.2329 0.2030 ( 3020 PWs) bands (ev): -24.7135 -24.7135 -7.5198 -7.5198 -6.4255 -6.4255 -6.3535 -6.3535 -1.1224 -1.1224 -0.2017 -0.2017 5.5572 5.5572 6.5066 6.5066 6.8957 6.8957 7.0179 7.0179 7.4132 7.4132 7.6386 7.6386 8.0960 8.0960 9.5007 9.5007 9.9571 9.9571 10.3990 10.3990 10.6069 10.6069 11.0380 11.0380 11.1087 11.1087 11.4555 11.4555 12.6191 12.6191 12.7974 12.7974 k = 0.5000 0.2329 0.1827 ( 3016 PWs) bands (ev): -24.7140 -24.7140 -7.5179 -7.5179 -6.4254 -6.4254 -6.3482 -6.3482 -1.1374 -1.1374 -0.2133 -0.2133 5.5455 5.5455 6.5304 6.5304 6.8908 6.8908 6.9989 6.9989 7.4657 7.4657 7.6525 7.6525 8.0826 8.0826 9.4875 9.4875 9.9981 9.9981 10.4166 10.4166 10.6381 10.6381 11.0039 11.0039 11.1168 11.1168 11.4413 11.4413 12.5730 12.5730 12.8746 12.8746 k = 0.5000 0.2329 0.1624 ( 3024 PWs) bands (ev): -24.7146 -24.7146 -7.5162 -7.5162 -6.4253 -6.4253 -6.3434 -6.3434 -1.1509 -1.1509 -0.2239 -0.2239 5.5349 5.5349 6.5538 6.5538 6.8863 6.8863 6.9798 6.9798 7.5145 7.5145 7.6653 7.6653 8.0704 8.0704 9.4743 9.4743 10.0371 10.0371 10.4326 10.4326 10.6680 10.6680 10.9698 10.9698 11.1260 11.1260 11.4263 11.4263 12.5312 12.5312 12.9488 12.9488 k = 0.5000 0.2329 0.1421 ( 3022 PWs) bands (ev): -24.7151 -24.7151 -7.5146 -7.5146 -6.4252 -6.4252 -6.3391 -6.3391 -1.1627 -1.1627 -0.2335 -0.2335 5.5257 5.5257 6.5767 6.5767 6.8823 6.8823 6.9608 6.9608 7.5592 7.5592 7.6770 7.6770 8.0596 8.0596 9.4615 9.4615 10.0736 10.0736 10.4470 10.4470 10.6960 10.6960 10.9375 10.9375 11.1346 11.1346 11.4112 11.4112 12.4940 12.4940 13.0190 13.0190 k = 0.5000 0.2329 0.1218 ( 3026 PWs) bands (ev): -24.7155 -24.7155 -7.5133 -7.5133 -6.4252 -6.4252 -6.3353 -6.3353 -1.1730 -1.1730 -0.2419 -0.2419 5.5176 5.5176 6.5988 6.5988 6.8787 6.8787 6.9421 6.9421 7.5992 7.5992 7.6873 7.6873 8.0501 8.0501 9.4492 9.4492 10.1074 10.1074 10.4596 10.4596 10.7217 10.7217 10.9080 10.9080 11.1424 11.1424 11.3962 11.3962 12.4617 12.4617 13.0838 13.0838 k = 0.5000 0.2329 0.1015 ( 3034 PWs) bands (ev): -24.7158 -24.7158 -7.5122 -7.5122 -6.4251 -6.4251 -6.3320 -6.3320 -1.1817 -1.1817 -0.2492 -0.2492 5.5109 5.5109 6.6199 6.6199 6.8755 6.8755 6.9239 6.9239 7.6340 7.6340 7.6964 7.6964 8.0419 8.0419 9.4380 9.4380 10.1377 10.1377 10.4703 10.4703 10.7442 10.7442 10.8823 10.8823 11.1491 11.1491 11.3817 11.3817 12.4343 12.4343 13.1419 13.1419 k = 0.5000 0.2329 0.0812 ( 3042 PWs) bands (ev): -24.7161 -24.7161 -7.5113 -7.5113 -6.4250 -6.4250 -6.3294 -6.3294 -1.1889 -1.1889 -0.2553 -0.2553 5.5054 5.5054 6.6395 6.6395 6.8730 6.8730 6.9068 6.9068 7.6631 7.6631 7.7040 7.7040 8.0353 8.0353 9.4282 9.4282 10.1640 10.1640 10.4791 10.4791 10.7622 10.7622 10.8614 10.8614 11.1547 11.1547 11.3684 11.3684 12.4119 12.4119 13.1922 13.1922 k = 0.5000 0.2329 0.0609 ( 3042 PWs) bands (ev): -24.7163 -24.7163 -7.5105 -7.5105 -6.4249 -6.4249 -6.3272 -6.3272 -1.1944 -1.1944 -0.2601 -0.2601 5.5011 5.5011 6.6568 6.6568 6.8710 6.8710 6.8914 6.8914 7.6860 7.6860 7.7103 7.7103 8.0300 8.0300 9.4201 9.4201 10.1856 10.1856 10.4860 10.4860 10.7744 10.7744 10.8471 10.8471 11.1591 11.1591 11.3570 11.3570 12.3945 12.3945 13.2331 13.2331 k = 0.5000 0.2329 0.0406 ( 3046 PWs) bands (ev): -24.7165 -24.7165 -7.5100 -7.5100 -6.4249 -6.4249 -6.3257 -6.3257 -1.1984 -1.1984 -0.2635 -0.2635 5.4980 5.4980 6.6709 6.6709 6.8694 6.8694 6.8789 6.8789 7.7018 7.7018 7.7157 7.7157 8.0261 8.0261 9.4141 9.4141 10.2017 10.2017 10.4908 10.4908 10.7797 10.7797 10.8403 10.8403 11.1623 11.1623 11.3484 11.3484 12.3821 12.3821 13.2630 13.2630 k = 0.5000 0.2329 0.0203 ( 3050 PWs) bands (ev): -24.7166 -24.7166 -7.5097 -7.5097 -6.4249 -6.4249 -6.3248 -6.3248 -1.2008 -1.2008 -0.2656 -0.2656 5.4962 5.4962 6.6802 6.6802 6.8676 6.8676 6.8713 6.8713 7.7099 7.7099 7.7205 7.7205 8.0239 8.0239 9.4104 9.4104 10.2117 10.2117 10.4937 10.4937 10.7802 10.7802 10.8388 10.8388 11.1643 11.1643 11.3428 11.3428 12.3747 12.3747 13.2798 13.2798 k = 0.5000 0.2329 0.0000 ( 3056 PWs) bands (ev): -24.7166 -24.7166 -7.5096 -7.5096 -6.4249 -6.4249 -6.3245 -6.3245 -1.2016 -1.2016 -0.2663 -0.2663 5.4956 5.4956 6.6835 6.6835 6.8658 6.8658 6.8697 6.8697 7.7120 7.7120 7.7226 7.7226 8.0230 8.0230 9.4092 9.4092 10.2151 10.2151 10.4946 10.4946 10.7798 10.7798 10.8388 10.8388 11.1649 11.1649 11.3409 11.3409 12.3722 12.3722 13.2832 13.2832 k = 0.0000 0.0000 1.1841 ( 3016 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0423 0.0423 0.4541 0.4541 4.8852 4.8852 5.0963 5.0963 6.9042 6.9042 7.0806 7.0806 7.3313 7.3313 8.3840 8.3840 8.4827 8.4827 8.8461 8.8461 8.9275 8.9275 9.6128 9.6128 9.8206 9.8206 10.0366 10.0366 10.2200 10.2200 10.2241 10.2241 11.5846 11.5846 11.5965 11.5965 k = 0.0179 0.0083 1.1841 ( 3016 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0423 0.0423 0.4541 0.4541 4.8858 4.8858 5.0955 5.0955 6.9047 6.9047 7.0815 7.0815 7.3306 7.3306 8.3729 8.3729 8.4935 8.4935 8.8464 8.8464 8.9272 8.9272 9.6126 9.6126 9.8213 9.8213 10.0359 10.0359 10.2199 10.2199 10.2240 10.2240 11.5846 11.5846 11.5964 11.5964 k = 0.0357 0.0166 1.1841 ( 3016 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0424 0.0424 0.4540 0.4540 4.8875 4.8875 5.0933 5.0933 6.9064 6.9064 7.0841 7.0841 7.3285 7.3285 8.3478 8.3478 8.5174 8.5174 8.8471 8.8471 8.9263 8.9263 9.6121 9.6121 9.8234 9.8234 10.0339 10.0339 10.2200 10.2200 10.2239 10.2239 11.5847 11.5847 11.5964 11.5964 k = 0.0536 0.0250 1.1841 ( 3016 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0424 0.0424 0.4539 0.4539 4.8905 4.8905 5.0896 5.0896 6.9090 6.9090 7.0884 7.0884 7.3251 7.3251 8.3179 8.3179 8.5454 8.5454 8.8483 8.8483 8.9249 8.9249 9.6113 9.6113 9.8267 9.8267 10.0306 10.0306 10.2200 10.2200 10.2238 10.2238 11.5848 11.5848 11.5963 11.5963 k = 0.0714 0.0333 1.1841 ( 3012 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0425 0.0425 0.4538 0.4538 4.8946 4.8946 5.0845 5.0845 6.9126 6.9126 7.0943 7.0943 7.3202 7.3202 8.2868 8.2868 8.5740 8.5740 8.8500 8.8500 8.9229 8.9229 9.6103 9.6103 9.8313 9.8313 10.0260 10.0260 10.2202 10.2202 10.2236 10.2236 11.5851 11.5851 11.5962 11.5962 k = 0.0893 0.0416 1.1841 ( 3004 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0427 0.0427 0.4536 0.4536 4.8998 4.8998 5.0781 5.0781 6.9169 6.9169 7.1017 7.1017 7.3141 7.3141 8.2559 8.2559 8.6017 8.6017 8.8521 8.8521 8.9205 8.9205 9.6090 9.6090 9.8372 9.8372 10.0202 10.0202 10.2203 10.2203 10.2236 10.2236 11.5853 11.5853 11.5961 11.5961 k = 0.1071 0.0499 1.1841 ( 3010 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0428 0.0428 0.4534 0.4534 4.9061 4.9061 5.0705 5.0705 6.9218 6.9218 7.1105 7.1105 7.3068 7.3068 8.2262 8.2262 8.6278 8.6278 8.8547 8.8547 8.9176 8.9176 9.6075 9.6075 9.8441 9.8441 10.0132 10.0132 10.2204 10.2204 10.2234 10.2234 11.5856 11.5856 11.5960 11.5960 k = 0.1250 0.0582 1.1841 ( 3018 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0430 0.0430 0.4532 0.4532 4.9133 4.9133 5.0619 5.0619 6.9270 6.9270 7.1205 7.1205 7.2982 7.2982 8.1984 8.1984 8.6518 8.6518 8.8576 8.8576 8.9142 8.9142 9.6059 9.6059 9.8522 9.8522 10.0051 10.0051 10.2206 10.2206 10.2229 10.2229 11.5859 11.5859 11.5958 11.5958 k = 0.1429 0.0665 1.1841 ( 3022 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0431 0.0431 0.4530 0.4530 4.9215 4.9215 5.0523 5.0523 6.9323 6.9323 7.1316 7.1316 7.2886 7.2886 8.1730 8.1730 8.6733 8.6733 8.8608 8.8608 8.9105 8.9105 9.6043 9.6043 9.8611 9.8611 9.9962 9.9962 10.2207 10.2207 10.2227 10.2227 11.5862 11.5862 11.5957 11.5957 k = 0.1607 0.0749 1.1841 ( 3022 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0432 0.0432 0.4528 0.4528 4.9305 4.9305 5.0420 5.0420 6.9374 6.9374 7.1436 7.1436 7.2781 7.2781 8.1505 8.1505 8.6920 8.6920 8.8644 8.8644 8.9065 8.9065 9.6028 9.6028 9.8707 9.8707 9.9865 9.9865 10.2209 10.2209 10.2225 10.2225 11.5865 11.5865 11.5955 11.5955 k = 0.1786 0.0832 1.1841 ( 3026 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0434 0.0434 0.4527 0.4527 4.9402 4.9402 5.0311 5.0311 6.9421 6.9421 7.1562 7.1562 7.2667 7.2667 8.1314 8.1314 8.7076 8.7076 8.8682 8.8682 8.9023 8.9023 9.6013 9.6013 9.8811 9.8811 9.9761 9.9761 10.2211 10.2211 10.2221 10.2221 11.5868 11.5868 11.5953 11.5953 k = 0.1964 0.0915 1.1841 ( 3022 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0435 0.0435 0.4525 0.4525 4.9506 4.9506 5.0198 5.0198 6.9460 6.9460 7.1693 7.1693 7.2547 7.2547 8.1161 8.1161 8.7201 8.7201 8.8723 8.8723 8.8980 8.8980 9.6002 9.6002 9.8920 9.8920 9.9652 9.9652 10.2213 10.2213 10.2219 10.2219 11.5871 11.5871 11.5952 11.5952 k = 0.2143 0.0998 1.1841 ( 3024 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0435 0.0435 0.4524 0.4524 4.9613 4.9613 5.0083 5.0083 6.9490 6.9490 7.1825 7.1825 7.2423 7.2423 8.1049 8.1049 8.7291 8.7291 8.8766 8.8766 8.8934 8.8934 9.5992 9.5992 9.9032 9.9032 9.9540 9.9540 10.2214 10.2214 10.2218 10.2218 11.5873 11.5873 11.5950 11.5950 k = 0.2321 0.1081 1.1841 ( 3024 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0436 0.0436 0.4524 0.4524 4.9721 4.9721 4.9971 4.9971 6.9509 6.9509 7.1950 7.1950 7.2303 7.2303 8.0981 8.0981 8.7345 8.7345 8.8810 8.8810 8.8889 8.8889 9.5987 9.5987 9.9139 9.9139 9.9433 9.9433 10.2212 10.2212 10.2220 10.2220 11.5875 11.5875 11.5949 11.5949 k = 0.2500 0.1165 1.1841 ( 3024 PWs) bands (ev): -24.6726 -24.6726 -7.6594 -7.6594 -6.6426 -6.6426 -6.3927 -6.3927 0.0436 0.0436 0.4523 0.4523 4.9786 4.9786 4.9904 4.9904 6.9515 6.9515 7.2024 7.2024 7.2230 7.2230 8.0958 8.0958 8.7364 8.7364 8.8838 8.8838 8.8861 8.8861 9.5984 9.5984 9.9202 9.9202 9.9369 9.9369 10.2209 10.2209 10.2222 10.2222 11.5877 11.5877 11.5947 11.5947 Writing output data file SrxFePx2.save init_run : 0.33s CPU 0.48s WALL ( 1 calls) electrons : 201.22s CPU 203.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 201.21s CPU 203.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 363 calls) cegterg : 179.92s CPU 181.80s WALL ( 521 calls) Called by sum_band: Called by *egterg: h_psi : 138.27s CPU 139.90s WALL ( 8165 calls) s_psi : 6.62s CPU 6.54s WALL ( 8165 calls) g_psi : 0.21s CPU 0.18s WALL ( 7281 calls) cdiaghg : 40.90s CPU 41.48s WALL ( 7644 calls) cegterg:over : 4.35s CPU 4.33s WALL ( 7281 calls) cegterg:upda : 3.23s CPU 3.30s WALL ( 7281 calls) cegterg:last : 2.07s CPU 2.08s WALL ( 1528 calls) cdiaghg:chol : 2.27s CPU 2.34s WALL ( 7644 calls) cdiaghg:inve : 1.33s CPU 1.28s WALL ( 7644 calls) cdiaghg:para : 2.40s CPU 2.46s WALL ( 15288 calls) Called by h_psi: h_psi:vloc : 124.62s CPU 126.17s WALL ( 8165 calls) h_psi:vnl : 13.48s CPU 13.55s WALL ( 8165 calls) add_vuspsi : 7.23s CPU 7.36s WALL ( 8165 calls) General routines calbec : 6.24s CPU 6.17s WALL ( 8165 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.61s CPU 119.10s WALL ( 828608 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.35s WALL ( 726 calls) Parallel routines fft_scatter : 33.22s CPU 34.08s WALL ( 828631 calls) PWSCF : 3m35.78s CPU 3m55.41s WALL This run was terminated on: 18:22:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=