Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 8:46 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: ./NiPtF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 80 37 10 2736 844 131 Max 82 38 11 2738 870 133 Sum 2889 1333 387 98511 30927 4749 bravais-lattice index = 14 lattice parameter (alat) = 10.1581 a.u. unit-cell volume = 647.7178 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.158087 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.579431 celldm(5)= 0.579431 celldm(6)= 0.579431 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.579431 0.815022 0.000000 ) a(3) = ( 0.579431 0.298999 0.758195 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.710939 -0.483860 ) b(2) = ( 0.000000 1.226961 -0.483860 ) b(3) = ( 0.000000 0.000000 1.318922 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 F 7.00 18.99840 F( 1.00) Ni 10.00 58.69340 Ni( 1.00) Pt 10.00 195.08400 Pt( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0128205 -0.0091146 -0.0062033), wk = 0.0035461 k( 3) = ( 0.0256410 -0.0182292 -0.0124067), wk = 0.0035461 k( 4) = ( 0.0384615 -0.0273438 -0.0186100), wk = 0.0035461 k( 5) = ( 0.0512821 -0.0364584 -0.0248133), wk = 0.0035461 k( 6) = ( 0.0641026 -0.0455730 -0.0310167), wk = 0.0035461 k( 7) = ( 0.0769231 -0.0546876 -0.0372200), wk = 0.0035461 k( 8) = ( 0.0897436 -0.0638022 -0.0434234), wk = 0.0035461 k( 9) = ( 0.1025641 -0.0729168 -0.0496267), wk = 0.0035461 k( 10) = ( 0.1153846 -0.0820314 -0.0558300), wk = 0.0035461 k( 11) = ( 0.1282051 -0.0911460 -0.0620334), wk = 0.0035461 k( 12) = ( 0.1410256 -0.1002606 -0.0682367), wk = 0.0035461 k( 13) = ( 0.1538461 -0.1093752 -0.0744400), wk = 0.0035461 k( 14) = ( 0.1666667 -0.1184898 -0.0806434), wk = 0.0035461 k( 15) = ( 0.1794872 -0.1276044 -0.0868467), wk = 0.0035461 k( 16) = ( 0.1923077 -0.1367190 -0.0930501), wk = 0.0035461 k( 17) = ( 0.2051282 -0.1458336 -0.0992534), wk = 0.0035461 k( 18) = ( 0.2179487 -0.1549483 -0.1054567), wk = 0.0035461 k( 19) = ( 0.2307692 -0.1640629 -0.1116601), wk = 0.0035461 k( 20) = ( 0.2435897 -0.1731775 -0.1178634), wk = 0.0035461 k( 21) = ( 0.2564103 -0.1822921 -0.1240667), wk = 0.0035461 k( 22) = ( 0.2692308 -0.1914067 -0.1302701), wk = 0.0035461 k( 23) = ( 0.2820513 -0.2005213 -0.1364734), wk = 0.0035461 k( 24) = ( 0.2948718 -0.2096359 -0.1426768), wk = 0.0035461 k( 25) = ( 0.3076923 -0.2187505 -0.1488801), wk = 0.0035461 k( 26) = ( 0.3205128 -0.2278651 -0.1550834), wk = 0.0035461 k( 27) = ( 0.3333333 -0.2369797 -0.1612868), wk = 0.0035461 k( 28) = ( 0.3461538 -0.2460943 -0.1674901), wk = 0.0035461 k( 29) = ( 0.3589744 -0.2552089 -0.1736934), wk = 0.0035461 k( 30) = ( 0.3717949 -0.2643235 -0.1798968), wk = 0.0035461 k( 31) = ( 0.3846154 -0.2734381 -0.1861001), wk = 0.0035461 k( 32) = ( 0.3974359 -0.2825527 -0.1923035), wk = 0.0035461 k( 33) = ( 0.4102564 -0.2916673 -0.1985068), wk = 0.0035461 k( 34) = ( 0.4230769 -0.3007819 -0.2047101), wk = 0.0035461 k( 35) = ( 0.4358974 -0.3098965 -0.2109135), wk = 0.0035461 k( 36) = ( 0.4487179 -0.3190111 -0.2171168), wk = 0.0035461 k( 37) = ( 0.4615385 -0.3281257 -0.2233201), wk = 0.0035461 k( 38) = ( 0.4743590 -0.3372403 -0.2295235), wk = 0.0035461 k( 39) = ( 0.4871795 -0.3463549 -0.2357268), wk = 0.0035461 k( 40) = ( 0.5000000 -0.3554695 -0.2419301), wk = 0.0035461 k( 41) = ( 0.5000000 -0.3554695 -0.2419301), wk = 0.0035461 k( 42) = ( 0.5000000 -0.3459972 -0.2558478), wk = 0.0035461 k( 43) = ( 0.5000000 -0.3365249 -0.2697655), wk = 0.0035461 k( 44) = ( 0.5000000 -0.3270526 -0.2836832), wk = 0.0035461 k( 45) = ( 0.5000000 -0.3175804 -0.2976009), wk = 0.0035461 k( 46) = ( 0.5000000 -0.3081081 -0.3115186), wk = 0.0035461 k( 47) = ( 0.5000000 -0.2986358 -0.3254363), wk = 0.0035461 k( 48) = ( 0.5000000 -0.2891635 -0.3393540), wk = 0.0035461 k( 49) = ( 0.5000000 -0.2796912 -0.3532717), wk = 0.0035461 k( 50) = ( 0.5000000 -0.2702189 -0.3671894), wk = 0.0035461 k( 51) = ( 0.5000000 -0.2607466 -0.3811071), wk = 0.0035461 k( 52) = ( 0.5000000 -0.2512743 -0.3950248), wk = 0.0035461 k( 53) = ( 0.5000000 -0.2418021 -0.4089425), wk = 0.0035461 k( 54) = ( 0.5000000 -0.2323298 -0.4228602), wk = 0.0035461 k( 55) = ( 0.5000000 -0.2228575 -0.4367779), wk = 0.0035461 k( 56) = ( 0.5000000 -0.2133852 -0.4506956), wk = 0.0035461 k( 57) = ( 0.5000000 -0.2039129 -0.4646133), wk = 0.0035461 k( 58) = ( 0.5000000 -0.1944406 -0.4785309), wk = 0.0035461 k( 59) = ( 0.5000000 -0.1849683 -0.4924486), wk = 0.0035461 k( 60) = ( 0.5000000 -0.1754960 -0.5063663), wk = 0.0035461 k( 61) = ( 0.5000000 -0.1660237 -0.5202840), wk = 0.0035461 k( 62) = ( 0.5000000 -0.1565514 -0.5342017), wk = 0.0035461 k( 63) = ( 0.5000000 -0.1470792 -0.5481194), wk = 0.0035461 k( 64) = ( 0.5000000 -0.1376069 -0.5620371), wk = 0.0035461 k( 65) = ( 0.5000000 -0.1281346 -0.5759548), wk = 0.0035461 k( 66) = ( 0.5000000 -0.1186623 -0.5898725), wk = 0.0035461 k( 67) = ( 0.5000000 -0.1091900 -0.6037902), wk = 0.0035461 k( 68) = ( 0.5000000 -0.0997177 -0.6177079), wk = 0.0035461 k( 69) = ( 0.5000000 -0.0902454 -0.6316256), wk = 0.0035461 k( 70) = ( 0.5000000 -0.0807731 -0.6455433), wk = 0.0035461 k( 71) = ( 0.5000000 -0.0713009 -0.6594610), wk = 0.0035461 k( 72) = ( 0.7683964 0.0671977 -0.3082596), wk = 0.0035461 k( 73) = ( 0.7607280 0.0726495 -0.2944350), wk = 0.0035461 k( 74) = ( 0.7530595 0.0781013 -0.2806105), wk = 0.0035461 k( 75) = ( 0.7453910 0.0835531 -0.2667859), wk = 0.0035461 k( 76) = ( 0.7377225 0.0890050 -0.2529613), wk = 0.0035461 k( 77) = ( 0.7300541 0.0944568 -0.2391367), wk = 0.0035461 k( 78) = ( 0.7223856 0.0999086 -0.2253121), wk = 0.0035461 k( 79) = ( 0.7147171 0.1053604 -0.2114876), wk = 0.0035461 k( 80) = ( 0.7070487 0.1108122 -0.1976630), wk = 0.0035461 k( 81) = ( 0.6993802 0.1162640 -0.1838384), wk = 0.0035461 k( 82) = ( 0.6917117 0.1217158 -0.1700138), wk = 0.0035461 k( 83) = ( 0.6840433 0.1271677 -0.1561892), wk = 0.0035461 k( 84) = ( 0.6763748 0.1326195 -0.1423647), wk = 0.0035461 k( 85) = ( 0.6687063 0.1380713 -0.1285401), wk = 0.0035461 k( 86) = ( 0.6610379 0.1435231 -0.1147155), wk = 0.0035461 k( 87) = ( 0.6533694 0.1489749 -0.1008909), wk = 0.0035461 k( 88) = ( 0.6457009 0.1544267 -0.0870663), wk = 0.0035461 k( 89) = ( 0.6380324 0.1598785 -0.0732418), wk = 0.0035461 k( 90) = ( 0.6303640 0.1653304 -0.0594172), wk = 0.0035461 k( 91) = ( 0.6226955 0.1707822 -0.0455926), wk = 0.0035461 k( 92) = ( 0.6150270 0.1762340 -0.0317680), wk = 0.0035461 k( 93) = ( 0.6073586 0.1816858 -0.0179434), wk = 0.0035461 k( 94) = ( 0.5996901 0.1871376 -0.0041189), wk = 0.0035461 k( 95) = ( 0.5920216 0.1925894 0.0097057), wk = 0.0035461 k( 96) = ( 0.5843532 0.1980412 0.0235303), wk = 0.0035461 k( 97) = ( 0.5766847 0.2034931 0.0373549), wk = 0.0035461 k( 98) = ( 0.5690162 0.2089449 0.0511795), wk = 0.0035461 k( 99) = ( 0.5613478 0.2143967 0.0650040), wk = 0.0035461 k( 100) = ( 0.5536793 0.2198485 0.0788286), wk = 0.0035461 k( 101) = ( 0.5460108 0.2253003 0.0926532), wk = 0.0035461 k( 102) = ( 0.5383423 0.2307521 0.1064778), wk = 0.0035461 k( 103) = ( 0.5306739 0.2362039 0.1203023), wk = 0.0035461 k( 104) = ( 0.5230054 0.2416557 0.1341269), wk = 0.0035461 k( 105) = ( 0.5153369 0.2471076 0.1479515), wk = 0.0035461 k( 106) = ( 0.5076685 0.2525594 0.1617761), wk = 0.0035461 k( 107) = ( 0.5000000 0.2580112 0.1756007), wk = 0.0035461 k( 108) = ( 0.5000000 0.2580112 0.1756007), wk = 0.0035461 k( 109) = ( 0.4857143 0.2506394 0.1705835), wk = 0.0035461 k( 110) = ( 0.4714286 0.2432677 0.1655663), wk = 0.0035461 k( 111) = ( 0.4571429 0.2358959 0.1605492), wk = 0.0035461 k( 112) = ( 0.4428571 0.2285242 0.1555320), wk = 0.0035461 k( 113) = ( 0.4285714 0.2211525 0.1505149), wk = 0.0035461 k( 114) = ( 0.4142857 0.2137807 0.1454977), wk = 0.0035461 k( 115) = ( 0.4000000 0.2064090 0.1404805), wk = 0.0035461 k( 116) = ( 0.3857143 0.1990372 0.1354634), wk = 0.0035461 k( 117) = ( 0.3714286 0.1916655 0.1304462), wk = 0.0035461 k( 118) = ( 0.3571429 0.1842937 0.1254291), wk = 0.0035461 k( 119) = ( 0.3428571 0.1769220 0.1204119), wk = 0.0035461 k( 120) = ( 0.3285714 0.1695502 0.1153947), wk = 0.0035461 k( 121) = ( 0.3142857 0.1621785 0.1103776), wk = 0.0035461 k( 122) = ( 0.3000000 0.1548067 0.1053604), wk = 0.0035461 k( 123) = ( 0.2857143 0.1474350 0.1003432), wk = 0.0035461 k( 124) = ( 0.2714286 0.1400632 0.0953261), wk = 0.0035461 k( 125) = ( 0.2571429 0.1326915 0.0903089), wk = 0.0035461 k( 126) = ( 0.2428571 0.1253197 0.0852918), wk = 0.0035461 k( 127) = ( 0.2285714 0.1179480 0.0802746), wk = 0.0035461 k( 128) = ( 0.2142857 0.1105762 0.0752574), wk = 0.0035461 k( 129) = ( 0.2000000 0.1032045 0.0702403), wk = 0.0035461 k( 130) = ( 0.1857143 0.0958327 0.0652231), wk = 0.0035461 k( 131) = ( 0.1714286 0.0884610 0.0602059), wk = 0.0035461 k( 132) = ( 0.1571429 0.0810892 0.0551888), wk = 0.0035461 k( 133) = ( 0.1428571 0.0737175 0.0501716), wk = 0.0035461 k( 134) = ( 0.1285714 0.0663457 0.0451545), wk = 0.0035461 k( 135) = ( 0.1142857 0.0589740 0.0401373), wk = 0.0035461 k( 136) = ( 0.1000000 0.0516022 0.0351201), wk = 0.0035461 k( 137) = ( 0.0857143 0.0442305 0.0301030), wk = 0.0035461 k( 138) = ( 0.0714286 0.0368587 0.0250858), wk = 0.0035461 k( 139) = ( 0.0571429 0.0294870 0.0200686), wk = 0.0035461 k( 140) = ( 0.0428571 0.0221152 0.0150515), wk = 0.0035461 k( 141) = ( 0.0285714 0.0147435 0.0100343), wk = 0.0035461 k( 142) = ( 0.0142857 0.0073717 0.0050172), wk = 0.0035461 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 145) = ( 0.0077830 -0.0055333 -0.0140311), wk = 0.0035461 k( 146) = ( 0.0155660 -0.0110665 -0.0280622), wk = 0.0035461 k( 147) = ( 0.0233490 -0.0165998 -0.0420933), wk = 0.0035461 k( 148) = ( 0.0311321 -0.0221330 -0.0561243), wk = 0.0035461 k( 149) = ( 0.0389151 -0.0276662 -0.0701554), wk = 0.0035461 k( 150) = ( 0.0466981 -0.0331995 -0.0841865), wk = 0.0035461 k( 151) = ( 0.0544811 -0.0387328 -0.0982176), wk = 0.0035461 k( 152) = ( 0.0622641 -0.0442660 -0.1122487), wk = 0.0035461 k( 153) = ( 0.0700472 -0.0497993 -0.1262798), wk = 0.0035461 k( 154) = ( 0.0778302 -0.0553325 -0.1403108), wk = 0.0035461 k( 155) = ( 0.0856132 -0.0608658 -0.1543419), wk = 0.0035461 k( 156) = ( 0.0933962 -0.0663990 -0.1683730), wk = 0.0035461 k( 157) = ( 0.1011792 -0.0719323 -0.1824041), wk = 0.0035461 k( 158) = ( 0.1089622 -0.0774655 -0.1964352), wk = 0.0035461 k( 159) = ( 0.1167452 -0.0829988 -0.2104663), wk = 0.0035461 k( 160) = ( 0.1245283 -0.0885320 -0.2244974), wk = 0.0035461 k( 161) = ( 0.1323113 -0.0940653 -0.2385284), wk = 0.0035461 k( 162) = ( 0.1400943 -0.0995985 -0.2525595), wk = 0.0035461 k( 163) = ( 0.1478773 -0.1051318 -0.2665906), wk = 0.0035461 k( 164) = ( 0.1556603 -0.1106650 -0.2806217), wk = 0.0035461 k( 165) = ( 0.1634433 -0.1161983 -0.2946528), wk = 0.0035461 k( 166) = ( 0.1712264 -0.1217315 -0.3086839), wk = 0.0035461 k( 167) = ( 0.1790094 -0.1272648 -0.3227149), wk = 0.0035461 k( 168) = ( 0.1867924 -0.1327980 -0.3367460), wk = 0.0035461 k( 169) = ( 0.1945754 -0.1383313 -0.3507771), wk = 0.0035461 k( 170) = ( 0.2023584 -0.1438645 -0.3648082), wk = 0.0035461 k( 171) = ( 0.2101415 -0.1493978 -0.3788393), wk = 0.0035461 k( 172) = ( 0.2179245 -0.1549310 -0.3928704), wk = 0.0035461 k( 173) = ( 0.2257075 -0.1604643 -0.4069015), wk = 0.0035461 k( 174) = ( 0.2334905 -0.1659975 -0.4209325), wk = 0.0035461 k( 175) = ( 0.2412735 -0.1715308 -0.4349636), wk = 0.0035461 k( 176) = ( 0.2490565 -0.1770640 -0.4489947), wk = 0.0035461 k( 177) = ( 0.2568396 -0.1825973 -0.4630258), wk = 0.0035461 k( 178) = ( 0.2646226 -0.1881305 -0.4770569), wk = 0.0035461 k( 179) = ( 0.2724056 -0.1936638 -0.4910880), wk = 0.0035461 k( 180) = ( 0.2801886 -0.1991970 -0.5051190), wk = 0.0035461 k( 181) = ( 0.2879716 -0.2047303 -0.5191501), wk = 0.0035461 k( 182) = ( 0.2957546 -0.2102635 -0.5331812), wk = 0.0035461 k( 183) = ( 0.3035377 -0.2157968 -0.5472123), wk = 0.0035461 k( 184) = ( 0.3113207 -0.2213300 -0.5612434), wk = 0.0035461 k( 185) = ( 0.3191037 -0.2268633 -0.5752745), wk = 0.0035461 k( 186) = ( 0.3268867 -0.2323965 -0.5893056), wk = 0.0035461 k( 187) = ( 0.3346697 -0.2379298 -0.6033366), wk = 0.0035461 k( 188) = ( 0.3424527 -0.2434630 -0.6173677), wk = 0.0035461 k( 189) = ( 0.3502358 -0.2489963 -0.6313988), wk = 0.0035461 k( 190) = ( 0.3580188 -0.2545295 -0.6454299), wk = 0.0035461 k( 191) = ( 0.3658018 -0.2600628 -0.6594610), wk = 0.0035461 k( 192) = ( 0.6341982 -0.0020516 -0.4838603), wk = 0.0035461 k( 193) = ( 0.6267428 0.0123964 -0.4838603), wk = 0.0035461 k( 194) = ( 0.6192873 0.0268443 -0.4838603), wk = 0.0035461 k( 195) = ( 0.6118318 0.0412922 -0.4838603), wk = 0.0035461 k( 196) = ( 0.6043764 0.0557401 -0.4838603), wk = 0.0035461 k( 197) = ( 0.5969209 0.0701881 -0.4838603), wk = 0.0035461 k( 198) = ( 0.5894655 0.0846360 -0.4838603), wk = 0.0035461 k( 199) = ( 0.5820100 0.0990839 -0.4838603), wk = 0.0035461 k( 200) = ( 0.5745546 0.1135319 -0.4838603), wk = 0.0035461 k( 201) = ( 0.5670991 0.1279798 -0.4838603), wk = 0.0035461 k( 202) = ( 0.5596437 0.1424277 -0.4838603), wk = 0.0035461 k( 203) = ( 0.5521882 0.1568757 -0.4838603), wk = 0.0035461 k( 204) = ( 0.5447327 0.1713236 -0.4838603), wk = 0.0035461 k( 205) = ( 0.5372773 0.1857715 -0.4838603), wk = 0.0035461 k( 206) = ( 0.5298218 0.2002195 -0.4838603), wk = 0.0035461 k( 207) = ( 0.5223664 0.2146674 -0.4838603), wk = 0.0035461 k( 208) = ( 0.5149109 0.2291153 -0.4838603), wk = 0.0035461 k( 209) = ( 0.5074555 0.2435633 -0.4838603), wk = 0.0035461 k( 210) = ( 0.5000000 0.2580112 -0.4838603), wk = 0.0035461 k( 211) = ( 0.5000000 0.2580112 -0.4838603), wk = 0.0035461 k( 212) = ( 0.5095856 0.2629576 -0.4713174), wk = 0.0035461 k( 213) = ( 0.5191712 0.2679039 -0.4587745), wk = 0.0035461 k( 214) = ( 0.5287568 0.2728503 -0.4462316), wk = 0.0035461 k( 215) = ( 0.5383423 0.2777967 -0.4336887), wk = 0.0035461 k( 216) = ( 0.5479279 0.2827431 -0.4211458), wk = 0.0035461 k( 217) = ( 0.5575135 0.2876895 -0.4086029), wk = 0.0035461 k( 218) = ( 0.5670991 0.2926358 -0.3960600), wk = 0.0035461 k( 219) = ( 0.5766847 0.2975822 -0.3835171), wk = 0.0035461 k( 220) = ( 0.5862703 0.3025286 -0.3709741), wk = 0.0035461 k( 221) = ( 0.5958559 0.3074750 -0.3584312), wk = 0.0035461 k( 222) = ( 0.6054415 0.3124213 -0.3458883), wk = 0.0035461 k( 223) = ( 0.6150270 0.3173677 -0.3333454), wk = 0.0035461 k( 224) = ( 0.6246126 0.3223141 -0.3208025), wk = 0.0035461 k( 225) = ( 0.6341982 0.3272605 -0.3082596), wk = 0.0035461 k( 226) = ( 0.6341982 0.3272605 -0.3082596), wk = 0.0035461 k( 227) = ( 0.6297249 0.3249522 -0.2921309), wk = 0.0035461 k( 228) = ( 0.6252517 0.3226439 -0.2760023), wk = 0.0035461 k( 229) = ( 0.6207784 0.3203355 -0.2598736), wk = 0.0035461 k( 230) = ( 0.6163051 0.3180272 -0.2437449), wk = 0.0035461 k( 231) = ( 0.6118318 0.3157189 -0.2276162), wk = 0.0035461 k( 232) = ( 0.6073586 0.3134106 -0.2114876), wk = 0.0035461 k( 233) = ( 0.6028853 0.3111023 -0.1953589), wk = 0.0035461 k( 234) = ( 0.5984120 0.3087940 -0.1792302), wk = 0.0035461 k( 235) = ( 0.5939387 0.3064857 -0.1631015), wk = 0.0035461 k( 236) = ( 0.5894655 0.3041774 -0.1469729), wk = 0.0035461 k( 237) = ( 0.5849922 0.3018691 -0.1308442), wk = 0.0035461 k( 238) = ( 0.5805189 0.2995608 -0.1147155), wk = 0.0035461 k( 239) = ( 0.5760456 0.2972524 -0.0985868), wk = 0.0035461 k( 240) = ( 0.5715724 0.2949441 -0.0824582), wk = 0.0035461 k( 241) = ( 0.5670991 0.2926358 -0.0663295), wk = 0.0035461 k( 242) = ( 0.5626258 0.2903275 -0.0502008), wk = 0.0035461 k( 243) = ( 0.5581526 0.2880192 -0.0340721), wk = 0.0035461 k( 244) = ( 0.5536793 0.2857109 -0.0179434), wk = 0.0035461 k( 245) = ( 0.5492060 0.2834026 -0.0018148), wk = 0.0035461 k( 246) = ( 0.5447327 0.2810943 0.0143139), wk = 0.0035461 k( 247) = ( 0.5402595 0.2787860 0.0304426), wk = 0.0035461 k( 248) = ( 0.5357862 0.2764777 0.0465713), wk = 0.0035461 k( 249) = ( 0.5313129 0.2741694 0.0626999), wk = 0.0035461 k( 250) = ( 0.5268396 0.2718610 0.0788286), wk = 0.0035461 k( 251) = ( 0.5223664 0.2695527 0.0949573), wk = 0.0035461 k( 252) = ( 0.5178931 0.2672444 0.1110860), wk = 0.0035461 k( 253) = ( 0.5134198 0.2649361 0.1272146), wk = 0.0035461 k( 254) = ( 0.5089465 0.2626278 0.1433433), wk = 0.0035461 k( 255) = ( 0.5044733 0.2603195 0.1594720), wk = 0.0035461 k( 256) = ( 0.5000000 0.2580112 0.1756007), wk = 0.0035461 k( 257) = ( 0.5000000 -0.3554695 -0.2419301), wk = 0.0035461 k( 258) = ( 0.5107359 -0.3451491 -0.2349061), wk = 0.0035461 k( 259) = ( 0.5214717 -0.3348286 -0.2278821), wk = 0.0035461 k( 260) = ( 0.5322076 -0.3245082 -0.2208581), wk = 0.0035461 k( 261) = ( 0.5429434 -0.3141877 -0.2138340), wk = 0.0035461 k( 262) = ( 0.5536793 -0.3038673 -0.2068100), wk = 0.0035461 k( 263) = ( 0.5644151 -0.2935468 -0.1997860), wk = 0.0035461 k( 264) = ( 0.5751510 -0.2832264 -0.1927620), wk = 0.0035461 k( 265) = ( 0.5858868 -0.2729059 -0.1857379), wk = 0.0035461 k( 266) = ( 0.5966227 -0.2625855 -0.1787139), wk = 0.0035461 k( 267) = ( 0.6073586 -0.2522650 -0.1716899), wk = 0.0035461 k( 268) = ( 0.6180944 -0.2419446 -0.1646658), wk = 0.0035461 k( 269) = ( 0.6288303 -0.2316241 -0.1576418), wk = 0.0035461 k( 270) = ( 0.6395661 -0.2213037 -0.1506178), wk = 0.0035461 k( 271) = ( 0.6503020 -0.2109832 -0.1435938), wk = 0.0035461 k( 272) = ( 0.6610379 -0.2006628 -0.1365697), wk = 0.0035461 k( 273) = ( 0.6717737 -0.1903423 -0.1295457), wk = 0.0035461 k( 274) = ( 0.6825096 -0.1800219 -0.1225217), wk = 0.0035461 k( 275) = ( 0.6932454 -0.1697015 -0.1154977), wk = 0.0035461 k( 276) = ( 0.7039813 -0.1593810 -0.1084736), wk = 0.0035461 k( 277) = ( 0.7147171 -0.1490606 -0.1014496), wk = 0.0035461 k( 278) = ( 0.7254530 -0.1387401 -0.0944256), wk = 0.0035461 k( 279) = ( 0.7361889 -0.1284197 -0.0874016), wk = 0.0035461 k( 280) = ( 0.7469247 -0.1180992 -0.0803775), wk = 0.0035461 k( 281) = ( 0.7576606 -0.1077788 -0.0733535), wk = 0.0035461 k( 282) = ( 0.7683964 -0.0974583 -0.0663295), wk = 0.0035461 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0035461 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0035461 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0035461 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0035461 k( 6) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0035461 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0035461 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0035461 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0035461 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0035461 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0035461 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0035461 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0035461 k( 14) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0035461 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0035461 k( 16) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0035461 k( 17) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0035461 k( 18) = ( 0.2179487 0.0000000 -0.0000000), wk = 0.0035461 k( 19) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0035461 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0035461 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0035461 k( 22) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0035461 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0035461 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0035461 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0035461 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0035461 k( 27) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0035461 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0035461 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0035461 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0035461 k( 31) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0035461 k( 32) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0035461 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0035461 k( 34) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0035461 k( 35) = ( 0.4358974 0.0000000 -0.0000000), wk = 0.0035461 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0035461 k( 37) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0035461 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0035461 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0035461 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035461 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035461 k( 42) = ( 0.5000000 0.0077201 -0.0077201), wk = 0.0035461 k( 43) = ( 0.5000000 0.0154402 -0.0154402), wk = 0.0035461 k( 44) = ( 0.5000000 0.0231604 -0.0231604), wk = 0.0035461 k( 45) = ( 0.5000000 0.0308805 -0.0308805), wk = 0.0035461 k( 46) = ( 0.5000000 0.0386006 -0.0386006), wk = 0.0035461 k( 47) = ( 0.5000000 0.0463207 -0.0463207), wk = 0.0035461 k( 48) = ( 0.5000000 0.0540408 -0.0540408), wk = 0.0035461 k( 49) = ( 0.5000000 0.0617609 -0.0617610), wk = 0.0035461 k( 50) = ( 0.5000000 0.0694811 -0.0694811), wk = 0.0035461 k( 51) = ( 0.5000000 0.0772012 -0.0772012), wk = 0.0035461 k( 52) = ( 0.5000000 0.0849213 -0.0849213), wk = 0.0035461 k( 53) = ( 0.5000000 0.0926414 -0.0926414), wk = 0.0035461 k( 54) = ( 0.5000000 0.1003615 -0.1003616), wk = 0.0035461 k( 55) = ( 0.5000000 0.1080817 -0.1080817), wk = 0.0035461 k( 56) = ( 0.5000000 0.1158018 -0.1158018), wk = 0.0035461 k( 57) = ( 0.5000000 0.1235219 -0.1235219), wk = 0.0035461 k( 58) = ( 0.5000000 0.1312420 -0.1312420), wk = 0.0035461 k( 59) = ( 0.5000000 0.1389621 -0.1389622), wk = 0.0035461 k( 60) = ( 0.5000000 0.1466823 -0.1466823), wk = 0.0035461 k( 61) = ( 0.5000000 0.1544024 -0.1544024), wk = 0.0035461 k( 62) = ( 0.5000000 0.1621225 -0.1621225), wk = 0.0035461 k( 63) = ( 0.5000000 0.1698426 -0.1698426), wk = 0.0035461 k( 64) = ( 0.5000000 0.1775627 -0.1775628), wk = 0.0035461 k( 65) = ( 0.5000000 0.1852829 -0.1852829), wk = 0.0035461 k( 66) = ( 0.5000000 0.1930030 -0.1930030), wk = 0.0035461 k( 67) = ( 0.5000000 0.2007231 -0.2007231), wk = 0.0035461 k( 68) = ( 0.5000000 0.2084432 -0.2084432), wk = 0.0035461 k( 69) = ( 0.5000000 0.2161633 -0.2161633), wk = 0.0035461 k( 70) = ( 0.5000000 0.2238835 -0.2238835), wk = 0.0035461 k( 71) = ( 0.5000000 0.2316036 -0.2316036), wk = 0.0035461 k( 72) = ( 0.7683964 0.5000000 0.2316036), wk = 0.0035461 k( 73) = ( 0.7607280 0.5000000 0.2392720), wk = 0.0035461 k( 74) = ( 0.7530595 0.5000000 0.2469405), wk = 0.0035461 k( 75) = ( 0.7453910 0.5000000 0.2546090), wk = 0.0035461 k( 76) = ( 0.7377225 0.5000000 0.2622775), wk = 0.0035461 k( 77) = ( 0.7300541 0.5000000 0.2699459), wk = 0.0035461 k( 78) = ( 0.7223856 0.5000000 0.2776144), wk = 0.0035461 k( 79) = ( 0.7147171 0.5000000 0.2852829), wk = 0.0035461 k( 80) = ( 0.7070487 0.5000000 0.2929513), wk = 0.0035461 k( 81) = ( 0.6993802 0.5000000 0.3006198), wk = 0.0035461 k( 82) = ( 0.6917117 0.5000000 0.3082883), wk = 0.0035461 k( 83) = ( 0.6840433 0.5000000 0.3159567), wk = 0.0035461 k( 84) = ( 0.6763748 0.5000000 0.3236252), wk = 0.0035461 k( 85) = ( 0.6687063 0.5000000 0.3312937), wk = 0.0035461 k( 86) = ( 0.6610379 0.5000000 0.3389621), wk = 0.0035461 k( 87) = ( 0.6533694 0.5000000 0.3466306), wk = 0.0035461 k( 88) = ( 0.6457009 0.5000000 0.3542991), wk = 0.0035461 k( 89) = ( 0.6380324 0.5000000 0.3619676), wk = 0.0035461 k( 90) = ( 0.6303640 0.5000000 0.3696360), wk = 0.0035461 k( 91) = ( 0.6226955 0.5000000 0.3773045), wk = 0.0035461 k( 92) = ( 0.6150270 0.5000000 0.3849730), wk = 0.0035461 k( 93) = ( 0.6073586 0.5000000 0.3926414), wk = 0.0035461 k( 94) = ( 0.5996901 0.5000000 0.4003099), wk = 0.0035461 k( 95) = ( 0.5920216 0.5000000 0.4079784), wk = 0.0035461 k( 96) = ( 0.5843532 0.5000000 0.4156468), wk = 0.0035461 k( 97) = ( 0.5766847 0.5000000 0.4233153), wk = 0.0035461 k( 98) = ( 0.5690162 0.5000000 0.4309838), wk = 0.0035461 k( 99) = ( 0.5613478 0.5000000 0.4386522), wk = 0.0035461 k( 100) = ( 0.5536793 0.5000000 0.4463207), wk = 0.0035461 k( 101) = ( 0.5460108 0.5000000 0.4539892), wk = 0.0035461 k( 102) = ( 0.5383423 0.5000000 0.4616576), wk = 0.0035461 k( 103) = ( 0.5306739 0.5000000 0.4693261), wk = 0.0035461 k( 104) = ( 0.5230054 0.5000000 0.4769946), wk = 0.0035461 k( 105) = ( 0.5153369 0.5000000 0.4846631), wk = 0.0035461 k( 106) = ( 0.5076685 0.5000000 0.4923315), wk = 0.0035461 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 109) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0035461 k( 110) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0035461 k( 111) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0035461 k( 112) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0035461 k( 113) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035461 k( 114) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0035461 k( 115) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0035461 k( 116) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0035461 k( 117) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0035461 k( 118) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035461 k( 119) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0035461 k( 120) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0035461 k( 121) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0035461 k( 122) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0035461 k( 123) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035461 k( 124) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0035461 k( 125) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0035461 k( 126) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0035461 k( 127) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0035461 k( 128) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035461 k( 129) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0035461 k( 130) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0035461 k( 131) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0035461 k( 132) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0035461 k( 133) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035461 k( 134) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0035461 k( 135) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0035461 k( 136) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0035461 k( 137) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0035461 k( 138) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035461 k( 139) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0035461 k( 140) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0035461 k( 141) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0035461 k( 142) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0035461 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 145) = ( 0.0077830 -0.0000000 -0.0077830), wk = 0.0035461 k( 146) = ( 0.0155660 -0.0000000 -0.0155660), wk = 0.0035461 k( 147) = ( 0.0233490 -0.0000000 -0.0233491), wk = 0.0035461 k( 148) = ( 0.0311321 -0.0000000 -0.0311321), wk = 0.0035461 k( 149) = ( 0.0389151 -0.0000000 -0.0389151), wk = 0.0035461 k( 150) = ( 0.0466981 -0.0000000 -0.0466981), wk = 0.0035461 k( 151) = ( 0.0544811 -0.0000000 -0.0544811), wk = 0.0035461 k( 152) = ( 0.0622641 -0.0000000 -0.0622641), wk = 0.0035461 k( 153) = ( 0.0700472 -0.0000000 -0.0700472), wk = 0.0035461 k( 154) = ( 0.0778302 -0.0000000 -0.0778302), wk = 0.0035461 k( 155) = ( 0.0856132 -0.0000000 -0.0856132), wk = 0.0035461 k( 156) = ( 0.0933962 -0.0000000 -0.0933962), wk = 0.0035461 k( 157) = ( 0.1011792 -0.0000000 -0.1011792), wk = 0.0035461 k( 158) = ( 0.1089622 -0.0000000 -0.1089622), wk = 0.0035461 k( 159) = ( 0.1167452 -0.0000000 -0.1167453), wk = 0.0035461 k( 160) = ( 0.1245283 -0.0000000 -0.1245283), wk = 0.0035461 k( 161) = ( 0.1323113 -0.0000000 -0.1323113), wk = 0.0035461 k( 162) = ( 0.1400943 -0.0000000 -0.1400943), wk = 0.0035461 k( 163) = ( 0.1478773 -0.0000000 -0.1478773), wk = 0.0035461 k( 164) = ( 0.1556603 -0.0000000 -0.1556603), wk = 0.0035461 k( 165) = ( 0.1634433 -0.0000000 -0.1634434), wk = 0.0035461 k( 166) = ( 0.1712264 -0.0000000 -0.1712264), wk = 0.0035461 k( 167) = ( 0.1790094 -0.0000000 -0.1790094), wk = 0.0035461 k( 168) = ( 0.1867924 -0.0000000 -0.1867924), wk = 0.0035461 k( 169) = ( 0.1945754 -0.0000000 -0.1945754), wk = 0.0035461 k( 170) = ( 0.2023584 -0.0000000 -0.2023584), wk = 0.0035461 k( 171) = ( 0.2101415 -0.0000000 -0.2101415), wk = 0.0035461 k( 172) = ( 0.2179245 -0.0000000 -0.2179245), wk = 0.0035461 k( 173) = ( 0.2257075 -0.0000000 -0.2257075), wk = 0.0035461 k( 174) = ( 0.2334905 -0.0000000 -0.2334905), wk = 0.0035461 k( 175) = ( 0.2412735 -0.0000000 -0.2412735), wk = 0.0035461 k( 176) = ( 0.2490565 -0.0000000 -0.2490565), wk = 0.0035461 k( 177) = ( 0.2568396 0.0000000 -0.2568396), wk = 0.0035461 k( 178) = ( 0.2646226 0.0000000 -0.2646226), wk = 0.0035461 k( 179) = ( 0.2724056 -0.0000000 -0.2724056), wk = 0.0035461 k( 180) = ( 0.2801886 -0.0000000 -0.2801886), wk = 0.0035461 k( 181) = ( 0.2879716 -0.0000000 -0.2879716), wk = 0.0035461 k( 182) = ( 0.2957546 -0.0000000 -0.2957546), wk = 0.0035461 k( 183) = ( 0.3035377 -0.0000000 -0.3035377), wk = 0.0035461 k( 184) = ( 0.3113207 -0.0000000 -0.3113207), wk = 0.0035461 k( 185) = ( 0.3191037 -0.0000000 -0.3191037), wk = 0.0035461 k( 186) = ( 0.3268867 0.0000000 -0.3268867), wk = 0.0035461 k( 187) = ( 0.3346697 -0.0000000 -0.3346697), wk = 0.0035461 k( 188) = ( 0.3424527 -0.0000000 -0.3424527), wk = 0.0035461 k( 189) = ( 0.3502358 -0.0000000 -0.3502358), wk = 0.0035461 k( 190) = ( 0.3580188 -0.0000000 -0.3580188), wk = 0.0035461 k( 191) = ( 0.3658018 0.0000000 -0.3658018), wk = 0.0035461 k( 192) = ( 0.6341982 0.3658018 -0.0000000), wk = 0.0035461 k( 193) = ( 0.6267428 0.3732572 -0.0000000), wk = 0.0035461 k( 194) = ( 0.6192873 0.3807127 -0.0000000), wk = 0.0035461 k( 195) = ( 0.6118318 0.3881682 -0.0000000), wk = 0.0035461 k( 196) = ( 0.6043764 0.3956236 -0.0000000), wk = 0.0035461 k( 197) = ( 0.5969209 0.4030791 -0.0000000), wk = 0.0035461 k( 198) = ( 0.5894655 0.4105345 -0.0000000), wk = 0.0035461 k( 199) = ( 0.5820100 0.4179900 -0.0000000), wk = 0.0035461 k( 200) = ( 0.5745546 0.4254454 -0.0000000), wk = 0.0035461 k( 201) = ( 0.5670991 0.4329009 -0.0000000), wk = 0.0035461 k( 202) = ( 0.5596437 0.4403563 -0.0000000), wk = 0.0035461 k( 203) = ( 0.5521882 0.4478118 -0.0000000), wk = 0.0035461 k( 204) = ( 0.5447327 0.4552673 -0.0000000), wk = 0.0035461 k( 205) = ( 0.5372773 0.4627227 -0.0000000), wk = 0.0035461 k( 206) = ( 0.5298218 0.4701782 -0.0000000), wk = 0.0035461 k( 207) = ( 0.5223664 0.4776336 -0.0000000), wk = 0.0035461 k( 208) = ( 0.5149109 0.4850891 -0.0000000), wk = 0.0035461 k( 209) = ( 0.5074555 0.4925445 -0.0000000), wk = 0.0035461 k( 210) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035461 k( 211) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035461 k( 212) = ( 0.5095856 0.5095856 0.0165431), wk = 0.0035461 k( 213) = ( 0.5191712 0.5191712 0.0330862), wk = 0.0035461 k( 214) = ( 0.5287568 0.5287568 0.0496293), wk = 0.0035461 k( 215) = ( 0.5383423 0.5383423 0.0661724), wk = 0.0035461 k( 216) = ( 0.5479279 0.5479279 0.0827156), wk = 0.0035461 k( 217) = ( 0.5575135 0.5575135 0.0992587), wk = 0.0035461 k( 218) = ( 0.5670991 0.5670991 0.1158018), wk = 0.0035461 k( 219) = ( 0.5766847 0.5766847 0.1323449), wk = 0.0035461 k( 220) = ( 0.5862703 0.5862703 0.1488880), wk = 0.0035461 k( 221) = ( 0.5958559 0.5958559 0.1654311), wk = 0.0035461 k( 222) = ( 0.6054415 0.6054415 0.1819742), wk = 0.0035461 k( 223) = ( 0.6150270 0.6150270 0.1985174), wk = 0.0035461 k( 224) = ( 0.6246126 0.6246126 0.2150605), wk = 0.0035461 k( 225) = ( 0.6341982 0.6341982 0.2316036), wk = 0.0035461 k( 226) = ( 0.6341982 0.6341982 0.2316036), wk = 0.0035461 k( 227) = ( 0.6297249 0.6297249 0.2405501), wk = 0.0035461 k( 228) = ( 0.6252517 0.6252517 0.2494967), wk = 0.0035461 k( 229) = ( 0.6207784 0.6207784 0.2584432), wk = 0.0035461 k( 230) = ( 0.6163051 0.6163051 0.2673898), wk = 0.0035461 k( 231) = ( 0.6118318 0.6118318 0.2763363), wk = 0.0035461 k( 232) = ( 0.6073586 0.6073586 0.2852829), wk = 0.0035461 k( 233) = ( 0.6028853 0.6028853 0.2942294), wk = 0.0035461 k( 234) = ( 0.5984120 0.5984120 0.3031760), wk = 0.0035461 k( 235) = ( 0.5939387 0.5939387 0.3121225), wk = 0.0035461 k( 236) = ( 0.5894655 0.5894655 0.3210691), wk = 0.0035461 k( 237) = ( 0.5849922 0.5849922 0.3300156), wk = 0.0035461 k( 238) = ( 0.5805189 0.5805189 0.3389622), wk = 0.0035461 k( 239) = ( 0.5760456 0.5760456 0.3479087), wk = 0.0035461 k( 240) = ( 0.5715724 0.5715724 0.3568552), wk = 0.0035461 k( 241) = ( 0.5670991 0.5670991 0.3658018), wk = 0.0035461 k( 242) = ( 0.5626258 0.5626258 0.3747483), wk = 0.0035461 k( 243) = ( 0.5581526 0.5581526 0.3836949), wk = 0.0035461 k( 244) = ( 0.5536793 0.5536793 0.3926414), wk = 0.0035461 k( 245) = ( 0.5492060 0.5492060 0.4015880), wk = 0.0035461 k( 246) = ( 0.5447327 0.5447327 0.4105345), wk = 0.0035461 k( 247) = ( 0.5402595 0.5402595 0.4194811), wk = 0.0035461 k( 248) = ( 0.5357862 0.5357862 0.4284276), wk = 0.0035461 k( 249) = ( 0.5313129 0.5313129 0.4373742), wk = 0.0035461 k( 250) = ( 0.5268396 0.5268396 0.4463207), wk = 0.0035461 k( 251) = ( 0.5223664 0.5223664 0.4552673), wk = 0.0035461 k( 252) = ( 0.5178931 0.5178931 0.4642138), wk = 0.0035461 k( 253) = ( 0.5134198 0.5134198 0.4731604), wk = 0.0035461 k( 254) = ( 0.5089465 0.5089465 0.4821069), wk = 0.0035461 k( 255) = ( 0.5044733 0.5044733 0.4910534), wk = 0.0035461 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 257) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035461 k( 258) = ( 0.5107359 0.0146321 0.0146321), wk = 0.0035461 k( 259) = ( 0.5214717 0.0292641 0.0292641), wk = 0.0035461 k( 260) = ( 0.5322076 0.0438962 0.0438962), wk = 0.0035461 k( 261) = ( 0.5429434 0.0585283 0.0585283), wk = 0.0035461 k( 262) = ( 0.5536793 0.0731604 0.0731604), wk = 0.0035461 k( 263) = ( 0.5644151 0.0877924 0.0877924), wk = 0.0035461 k( 264) = ( 0.5751510 0.1024245 0.1024245), wk = 0.0035461 k( 265) = ( 0.5858868 0.1170566 0.1170566), wk = 0.0035461 k( 266) = ( 0.5966227 0.1316886 0.1316886), wk = 0.0035461 k( 267) = ( 0.6073586 0.1463207 0.1463207), wk = 0.0035461 k( 268) = ( 0.6180944 0.1609528 0.1609528), wk = 0.0035461 k( 269) = ( 0.6288303 0.1755849 0.1755849), wk = 0.0035461 k( 270) = ( 0.6395661 0.1902169 0.1902169), wk = 0.0035461 k( 271) = ( 0.6503020 0.2048490 0.2048490), wk = 0.0035461 k( 272) = ( 0.6610379 0.2194811 0.2194811), wk = 0.0035461 k( 273) = ( 0.6717737 0.2341131 0.2341131), wk = 0.0035461 k( 274) = ( 0.6825096 0.2487452 0.2487452), wk = 0.0035461 k( 275) = ( 0.6932454 0.2633773 0.2633773), wk = 0.0035461 k( 276) = ( 0.7039813 0.2780094 0.2780094), wk = 0.0035461 k( 277) = ( 0.7147171 0.2926414 0.2926414), wk = 0.0035461 k( 278) = ( 0.7254530 0.3072735 0.3072735), wk = 0.0035461 k( 279) = ( 0.7361889 0.3219056 0.3219056), wk = 0.0035461 k( 280) = ( 0.7469247 0.3365376 0.3365377), wk = 0.0035461 k( 281) = ( 0.7576606 0.3511697 0.3511697), wk = 0.0035461 k( 282) = ( 0.7683964 0.3658018 0.3658018), wk = 0.0035461 Dense grid: 98511 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 30927 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 222, 74) NL pseudopotentials 0.26 Mb ( 111, 152) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2738) G-vector shells 0.02 Mb ( 2237) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.00 Mb ( 222, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.34 Mb ( 152, 2, 74) The potential is recalculated from file : ./NiPtF6.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 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 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.2 secs Computing kpt #: 10 total cpu time spent up to now is 11.0 secs Computing kpt #: 11 total cpu time spent up to now is 11.8 secs Computing kpt #: 12 total cpu time spent up to now is 12.6 secs Computing kpt #: 13 total cpu time spent up to now is 13.3 secs Computing kpt #: 14 total cpu time spent up to now is 14.2 secs Computing kpt #: 15 total cpu time spent up to now is 15.0 secs Computing kpt #: 16 total cpu time spent up to now is 15.9 secs Computing kpt #: 17 total cpu time spent up to now is 16.7 secs Computing kpt #: 18 total cpu time spent up to now is 17.6 secs Computing kpt #: 19 total cpu time spent up to now is 18.4 secs Computing kpt #: 20 total cpu time spent up to now is 19.3 secs Computing kpt #: 21 total cpu time spent up to now is 20.2 secs Computing kpt #: 22 total cpu time spent up to now is 21.0 secs Computing kpt #: 23 total cpu time spent up to now is 21.9 secs Computing kpt #: 24 total cpu time spent up to now is 22.8 secs Computing kpt #: 25 total cpu time spent up to now is 23.7 secs Computing kpt #: 26 total cpu time spent up to now is 24.6 secs Computing kpt #: 27 total cpu time spent up to now is 25.5 secs Computing kpt #: 28 total cpu time spent up to now is 26.4 secs Computing kpt #: 29 total cpu time spent up to now is 27.3 secs Computing kpt #: 30 total cpu time spent up to now is 28.2 secs Computing kpt #: 31 total cpu time spent up to now is 29.1 secs Computing kpt #: 32 total cpu time spent up to now is 30.0 secs Computing kpt #: 33 total cpu time spent up to now is 30.9 secs Computing kpt #: 34 total cpu time spent up to now is 31.7 secs Computing kpt #: 35 total cpu time spent up to now is 32.5 secs Computing kpt #: 36 total cpu time spent up to now is 33.3 secs Computing kpt #: 37 total cpu time spent up to now is 34.2 secs Computing kpt #: 38 total cpu time spent up to now is 35.0 secs Computing kpt #: 39 total cpu time spent up to now is 35.8 secs Computing kpt #: 40 total cpu time spent up to now is 36.5 secs Computing kpt #: 41 total cpu time spent up to now is 37.3 secs Computing kpt #: 42 total cpu time spent up to now is 38.1 secs Computing kpt #: 43 total cpu time spent up to now is 38.9 secs Computing kpt #: 44 total cpu time spent up to now is 39.7 secs Computing kpt #: 45 total cpu time spent up to now is 40.5 secs Computing kpt #: 46 total cpu time spent up to now is 41.4 secs Computing kpt #: 47 total cpu time spent up to now is 42.2 secs Computing kpt #: 48 total cpu time spent up to now is 43.0 secs Computing kpt #: 49 total cpu time spent up to now is 43.9 secs Computing kpt #: 50 total cpu time spent up to now is 44.7 secs Computing kpt #: 51 total cpu time spent up to now is 45.5 secs Computing kpt #: 52 total cpu time spent up to now is 46.4 secs Computing kpt #: 53 total cpu time spent up to now is 47.2 secs Computing kpt #: 54 total cpu time spent up to now is 48.0 secs Computing kpt #: 55 total cpu time spent up to now is 48.9 secs Computing kpt #: 56 total cpu time spent up to now is 49.6 secs Computing kpt #: 57 total cpu time spent up to now is 50.4 secs Computing kpt #: 58 total cpu time spent up to now is 51.2 secs Computing kpt #: 59 total cpu time spent up to now is 52.0 secs Computing kpt #: 60 total cpu time spent up to now is 52.8 secs Computing kpt #: 61 total cpu time spent up to now is 53.5 secs Computing kpt #: 62 total cpu time spent up to now is 54.2 secs Computing kpt #: 63 total cpu time spent up to now is 54.8 secs Computing kpt #: 64 total cpu time spent up to now is 55.5 secs Computing kpt #: 65 total cpu time spent up to now is 56.2 secs Computing kpt #: 66 total cpu time spent up to now is 56.9 secs Computing kpt #: 67 total cpu time spent up to now is 57.5 secs Computing kpt #: 68 total cpu time spent up to now is 58.2 secs Computing kpt #: 69 total cpu time spent up to now is 58.9 secs Computing kpt #: 70 total cpu time spent up to now is 59.6 secs Computing kpt #: 71 total cpu time spent up to now is 60.2 secs Computing kpt #: 72 total cpu time spent up to now is 60.9 secs Computing kpt #: 73 total cpu time spent up to now is 61.6 secs Computing kpt #: 74 total cpu time spent up to now is 62.2 secs Computing kpt #: 75 total cpu time spent up to now is 62.9 secs Computing kpt #: 76 total cpu time spent up to now is 63.6 secs Computing kpt #: 77 total cpu time spent up to now is 64.2 secs Computing kpt #: 78 total cpu time spent up to now is 64.9 secs Computing kpt #: 79 total cpu time spent up to now is 65.6 secs Computing kpt #: 80 total cpu time spent up to now is 66.4 secs Computing kpt #: 81 total cpu time spent up to now is 67.1 secs Computing kpt #: 82 total cpu time spent up to now is 67.9 secs Computing kpt #: 83 total cpu time spent up to now is 68.7 secs Computing kpt #: 84 total cpu time spent up to now is 69.5 secs Computing kpt #: 85 total cpu time spent up to now is 70.2 secs Computing kpt #: 86 total cpu time spent up to now is 71.0 secs Computing kpt #: 87 total cpu time spent up to now is 71.8 secs Computing kpt #: 88 total cpu time spent up to now is 72.6 secs Computing kpt #: 89 total cpu time spent up to now is 73.4 secs Computing kpt #: 90 total cpu time spent up to now is 74.2 secs Computing kpt #: 91 total cpu time spent up to now is 75.0 secs Computing kpt #: 92 total cpu time spent up to now is 75.8 secs Computing kpt #: 93 total cpu time spent up to now is 76.6 secs Computing kpt #: 94 total cpu time spent up to now is 77.4 secs Computing kpt #: 95 total cpu time spent up to now is 78.3 secs Computing kpt #: 96 total cpu time spent up to now is 79.1 secs Computing kpt #: 97 total cpu time spent up to now is 79.9 secs Computing kpt #: 98 total cpu time spent up to now is 80.8 secs Computing kpt #: 99 total cpu time spent up to now is 81.7 secs Computing kpt #: 100 total cpu time spent up to now is 82.5 secs Computing kpt #: 101 total cpu time spent up to now is 83.4 secs Computing kpt #: 102 total cpu time spent up to now is 84.3 secs Computing kpt #: 103 total cpu time spent up to now is 85.1 secs Computing kpt #: 104 total cpu time spent up to now is 86.0 secs Computing kpt #: 105 total cpu time spent up to now is 86.8 secs Computing kpt #: 106 total cpu time spent up to now is 87.6 secs Computing kpt #: 107 total cpu time spent up to now is 88.4 secs Computing kpt #: 108 total cpu time spent up to now is 89.1 secs Computing kpt #: 109 total cpu time spent up to now is 89.9 secs Computing kpt #: 110 total cpu time spent up to now is 90.7 secs Computing kpt #: 111 total cpu time spent up to now is 91.6 secs Computing kpt #: 112 total cpu time spent up to now is 92.4 secs Computing kpt #: 113 total cpu time spent up to now is 93.2 secs Computing kpt #: 114 total cpu time spent up to now is 94.1 secs Computing kpt #: 115 total cpu time spent up to now is 95.0 secs Computing kpt #: 116 total cpu time spent up to now is 95.8 secs Computing kpt #: 117 total cpu time spent up to now is 96.7 secs Computing kpt #: 118 total cpu time spent up to now is 97.6 secs Computing kpt #: 119 total cpu time spent up to now is 98.5 secs Computing kpt #: 120 total cpu time spent up to now is 99.4 secs Computing kpt #: 121 total cpu time spent up to now is 100.3 secs Computing kpt #: 122 total cpu time spent up to now is 101.2 secs Computing kpt #: 123 total cpu time spent up to now is 102.1 secs Computing kpt #: 124 total cpu time spent up to now is 103.0 secs Computing kpt #: 125 total cpu time spent up to now is 103.9 secs Computing kpt #: 126 total cpu time spent up to now is 104.8 secs Computing kpt #: 127 total cpu time spent up to now is 105.7 secs Computing kpt #: 128 total cpu time spent up to now is 106.6 secs Computing kpt #: 129 total cpu time spent up to now is 107.5 secs Computing kpt #: 130 total cpu time spent up to now is 108.4 secs Computing kpt #: 131 total cpu time spent up to now is 109.3 secs Computing kpt #: 132 total cpu time spent up to now is 110.3 secs Computing kpt #: 133 total cpu time spent up to now is 111.2 secs Computing kpt #: 134 total cpu time spent up to now is 112.1 secs Computing kpt #: 135 total cpu time spent up to now is 113.0 secs Computing kpt #: 136 total cpu time spent up to now is 113.9 secs Computing kpt #: 137 total cpu time spent up to now is 114.8 secs Computing kpt #: 138 total cpu time spent up to now is 115.6 secs Computing kpt #: 139 total cpu time spent up to now is 116.4 secs Computing kpt #: 140 total cpu time spent up to now is 117.2 secs Computing kpt #: 141 total cpu time spent up to now is 118.0 secs Computing kpt #: 142 total cpu time spent up to now is 118.8 secs Computing kpt #: 143 total cpu time spent up to now is 119.5 secs Computing kpt #: 144 total cpu time spent up to now is 120.3 secs Computing kpt #: 145 total cpu time spent up to now is 121.1 secs Computing kpt #: 146 total cpu time spent up to now is 121.9 secs Computing kpt #: 147 total cpu time spent up to now is 122.8 secs Computing kpt #: 148 total cpu time spent up to now is 123.6 secs Computing kpt #: 149 total cpu time spent up to now is 124.5 secs Computing kpt #: 150 total cpu time spent up to now is 125.3 secs Computing kpt #: 151 total cpu time spent up to now is 126.2 secs Computing kpt #: 152 total cpu time spent up to now is 127.0 secs Computing kpt #: 153 total cpu time spent up to now is 127.8 secs Computing kpt #: 154 total cpu time spent up to now is 128.6 secs Computing kpt #: 155 total cpu time spent up to now is 129.5 secs Computing kpt #: 156 total cpu time spent up to now is 130.3 secs Computing kpt #: 157 total cpu time spent up to now is 131.1 secs Computing kpt #: 158 total cpu time spent up to now is 132.0 secs Computing kpt #: 159 total cpu time spent up to now is 132.9 secs Computing kpt #: 160 total cpu time spent up to now is 133.8 secs Computing kpt #: 161 total cpu time spent up to now is 134.6 secs Computing kpt #: 162 total cpu time spent up to now is 135.5 secs Computing kpt #: 163 total cpu time spent up to now is 136.3 secs Computing kpt #: 164 total cpu time spent up to now is 137.0 secs Computing kpt #: 165 total cpu time spent up to now is 137.8 secs Computing kpt #: 166 total cpu time spent up to now is 138.6 secs Computing kpt #: 167 total cpu time spent up to now is 139.4 secs Computing kpt #: 168 total cpu time spent up to now is 140.2 secs Computing kpt #: 169 total cpu time spent up to now is 141.0 secs Computing kpt #: 170 total cpu time spent up to now is 141.8 secs Computing kpt #: 171 total cpu time spent up to now is 142.4 secs Computing kpt #: 172 total cpu time spent up to now is 143.1 secs Computing kpt #: 173 total cpu time spent up to now is 143.8 secs Computing kpt #: 174 total cpu time spent up to now is 144.5 secs Computing kpt #: 175 total cpu time spent up to now is 145.1 secs Computing kpt #: 176 total cpu time spent up to now is 145.8 secs Computing kpt #: 177 total cpu time spent up to now is 146.5 secs Computing kpt #: 178 total cpu time spent up to now is 147.1 secs Computing kpt #: 179 total cpu time spent up to now is 147.8 secs Computing kpt #: 180 total cpu time spent up to now is 148.4 secs Computing kpt #: 181 total cpu time spent up to now is 149.0 secs Computing kpt #: 182 total cpu time spent up to now is 149.7 secs Computing kpt #: 183 total cpu time spent up to now is 150.3 secs Computing kpt #: 184 total cpu time spent up to now is 151.0 secs Computing kpt #: 185 total cpu time spent up to now is 151.6 secs Computing kpt #: 186 total cpu time spent up to now is 152.2 secs Computing kpt #: 187 total cpu time spent up to now is 152.9 secs Computing kpt #: 188 total cpu time spent up to now is 153.5 secs Computing kpt #: 189 total cpu time spent up to now is 154.1 secs Computing kpt #: 190 total cpu time spent up to now is 154.8 secs Computing kpt #: 191 total cpu time spent up to now is 155.4 secs Computing kpt #: 192 total cpu time spent up to now is 156.0 secs Computing kpt #: 193 total cpu time spent up to now is 156.7 secs Computing kpt #: 194 total cpu time spent up to now is 157.3 secs Computing kpt #: 195 total cpu time spent up to now is 157.9 secs Computing kpt #: 196 total cpu time spent up to now is 158.5 secs Computing kpt #: 197 total cpu time spent up to now is 159.2 secs Computing kpt #: 198 total cpu time spent up to now is 159.8 secs Computing kpt #: 199 total cpu time spent up to now is 160.4 secs Computing kpt #: 200 total cpu time spent up to now is 161.1 secs Computing kpt #: 201 total cpu time spent up to now is 161.7 secs Computing kpt #: 202 total cpu time spent up to now is 162.4 secs Computing kpt #: 203 total cpu time spent up to now is 163.0 secs Computing kpt #: 204 total cpu time spent up to now is 163.7 secs Computing kpt #: 205 total cpu time spent up to now is 164.4 secs Computing kpt #: 206 total cpu time spent up to now is 165.0 secs Computing kpt #: 207 total cpu time spent up to now is 165.7 secs Computing kpt #: 208 total cpu time spent up to now is 166.3 secs Computing kpt #: 209 total cpu time spent up to now is 167.0 secs Computing kpt #: 210 total cpu time spent up to now is 167.6 secs Computing kpt #: 211 total cpu time spent up to now is 168.3 secs Computing kpt #: 212 total cpu time spent up to now is 168.9 secs Computing kpt #: 213 total cpu time spent up to now is 169.6 secs Computing kpt #: 214 total cpu time spent up to now is 170.3 secs Computing kpt #: 215 total cpu time spent up to now is 170.9 secs Computing kpt #: 216 total cpu time spent up to now is 171.6 secs Computing kpt #: 217 total cpu time spent up to now is 172.2 secs Computing kpt #: 218 total cpu time spent up to now is 172.8 secs Computing kpt #: 219 total cpu time spent up to now is 173.5 secs Computing kpt #: 220 total cpu time spent up to now is 174.1 secs Computing kpt #: 221 total cpu time spent up to now is 174.7 secs Computing kpt #: 222 total cpu time spent up to now is 175.3 secs Computing kpt #: 223 total cpu time spent up to now is 175.9 secs Computing kpt #: 224 total cpu time spent up to now is 176.5 secs Computing kpt #: 225 total cpu time spent up to now is 177.1 secs Computing kpt #: 226 total cpu time spent up to now is 177.8 secs Computing kpt #: 227 total cpu time spent up to now is 178.4 secs Computing kpt #: 228 total cpu time spent up to now is 179.0 secs Computing kpt #: 229 total cpu time spent up to now is 179.6 secs Computing kpt #: 230 total cpu time spent up to now is 180.2 secs Computing kpt #: 231 total cpu time spent up to now is 180.8 secs Computing kpt #: 232 total cpu time spent up to now is 181.4 secs Computing kpt #: 233 total cpu time spent up to now is 182.1 secs Computing kpt #: 234 total cpu time spent up to now is 182.7 secs Computing kpt #: 235 total cpu time spent up to now is 183.3 secs Computing kpt #: 236 total cpu time spent up to now is 184.0 secs Computing kpt #: 237 total cpu time spent up to now is 184.6 secs Computing kpt #: 238 total cpu time spent up to now is 185.3 secs Computing kpt #: 239 total cpu time spent up to now is 185.9 secs Computing kpt #: 240 total cpu time spent up to now is 186.6 secs Computing kpt #: 241 total cpu time spent up to now is 187.3 secs Computing kpt #: 242 total cpu time spent up to now is 188.0 secs Computing kpt #: 243 total cpu time spent up to now is 188.8 secs Computing kpt #: 244 total cpu time spent up to now is 189.5 secs Computing kpt #: 245 total cpu time spent up to now is 190.3 secs Computing kpt #: 246 total cpu time spent up to now is 191.1 secs Computing kpt #: 247 total cpu time spent up to now is 191.8 secs Computing kpt #: 248 total cpu time spent up to now is 192.6 secs Computing kpt #: 249 total cpu time spent up to now is 193.4 secs Computing kpt #: 250 total cpu time spent up to now is 194.2 secs Computing kpt #: 251 total cpu time spent up to now is 195.0 secs Computing kpt #: 252 total cpu time spent up to now is 195.9 secs Computing kpt #: 253 total cpu time spent up to now is 196.7 secs Computing kpt #: 254 total cpu time spent up to now is 197.5 secs Computing kpt #: 255 total cpu time spent up to now is 198.3 secs Computing kpt #: 256 total cpu time spent up to now is 199.1 secs Computing kpt #: 257 total cpu time spent up to now is 199.9 secs Computing kpt #: 258 total cpu time spent up to now is 200.8 secs Computing kpt #: 259 total cpu time spent up to now is 201.5 secs Computing kpt #: 260 total cpu time spent up to now is 202.3 secs Computing kpt #: 261 total cpu time spent up to now is 203.1 secs Computing kpt #: 262 total cpu time spent up to now is 203.9 secs Computing kpt #: 263 total cpu time spent up to now is 204.6 secs Computing kpt #: 264 total cpu time spent up to now is 205.4 secs Computing kpt #: 265 total cpu time spent up to now is 206.2 secs Computing kpt #: 266 total cpu time spent up to now is 207.0 secs Computing kpt #: 267 total cpu time spent up to now is 207.7 secs Computing kpt #: 268 total cpu time spent up to now is 208.4 secs Computing kpt #: 269 total cpu time spent up to now is 209.1 secs Computing kpt #: 270 total cpu time spent up to now is 209.7 secs Computing kpt #: 271 total cpu time spent up to now is 210.4 secs Computing kpt #: 272 total cpu time spent up to now is 211.0 secs Computing kpt #: 273 total cpu time spent up to now is 211.7 secs Computing kpt #: 274 total cpu time spent up to now is 212.6 secs Computing kpt #: 275 total cpu time spent up to now is 213.3 secs Computing kpt #: 276 total cpu time spent up to now is 213.9 secs Computing kpt #: 277 total cpu time spent up to now is 214.6 secs Computing kpt #: 278 total cpu time spent up to now is 215.2 secs Computing kpt #: 279 total cpu time spent up to now is 215.8 secs Computing kpt #: 280 total cpu time spent up to now is 216.4 secs Computing kpt #: 281 total cpu time spent up to now is 217.0 secs Computing kpt #: 282 total cpu time spent up to now is 217.6 secs ethr = 1.61E-08, avg # of iterations = 23.1 total cpu time spent up to now is 217.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3877 PWs) bands (ev): -19.1739 -19.1739 -18.4689 -18.4689 -18.4680 -18.4680 -18.2942 -18.2942 -18.1530 -18.1530 -18.1052 -18.1052 -3.2556 -3.2556 -3.2105 -3.2105 -3.1759 -3.1759 -1.9488 -1.9488 -1.8694 -1.8694 -1.6554 -1.6554 -1.3276 -1.3276 -1.0387 -1.0387 -0.8285 -0.8285 0.6495 0.6495 0.8532 0.8532 1.1663 1.1663 1.1876 1.1876 1.4101 1.4101 1.4987 1.4987 1.5061 1.5061 1.5580 1.5580 1.5787 1.5787 2.8789 2.8789 2.9778 2.9778 3.4807 3.4807 4.1139 4.1139 4.2311 4.2311 4.7543 4.7543 5.2595 5.2595 5.3832 5.3832 8.1357 8.1357 8.1601 8.1601 9.6149 9.6149 15.8566 15.8566 16.8607 16.8607 k = 0.0128-0.0091-0.0062 ( 3881 PWs) bands (ev): -19.1735 -19.1735 -18.4690 -18.4690 -18.4681 -18.4681 -18.2942 -18.2942 -18.1531 -18.1531 -18.1054 -18.1054 -3.2553 -3.2553 -3.2103 -3.2103 -3.1753 -3.1753 -1.9485 -1.9485 -1.8693 -1.8693 -1.6554 -1.6554 -1.3276 -1.3276 -1.0389 -1.0389 -0.8286 -0.8286 0.6493 0.6493 0.8531 0.8531 1.1656 1.1656 1.1868 1.1868 1.4084 1.4084 1.4982 1.4982 1.5057 1.5057 1.5579 1.5579 1.5779 1.5779 2.8801 2.8801 2.9791 2.9791 3.4818 3.4818 4.1145 4.1145 4.2318 4.2318 4.7539 4.7539 5.2594 5.2594 5.3830 5.3830 8.1347 8.1347 8.1591 8.1591 9.6176 9.6176 15.8579 15.8579 16.8551 16.8551 k = 0.0256-0.0182-0.0124 ( 3881 PWs) bands (ev): -19.1725 -19.1725 -18.4692 -18.4692 -18.4683 -18.4683 -18.2941 -18.2941 -18.1535 -18.1535 -18.1060 -18.1060 -3.2546 -3.2546 -3.2098 -3.2098 -3.1734 -3.1734 -1.9476 -1.9476 -1.8689 -1.8689 -1.6552 -1.6552 -1.3277 -1.3277 -1.0394 -1.0394 -0.8292 -0.8292 0.6488 0.6488 0.8528 0.8528 1.1631 1.1631 1.1848 1.1848 1.4034 1.4034 1.4960 1.4960 1.5054 1.5054 1.5576 1.5576 1.5759 1.5759 2.8838 2.8838 2.9832 2.9832 3.4851 3.4851 4.1164 4.1164 4.2337 4.2337 4.7530 4.7530 5.2592 5.2592 5.3823 5.3823 8.1318 8.1318 8.1563 8.1563 9.6259 9.6259 15.8619 15.8619 16.8386 16.8386 k = 0.0385-0.0273-0.0186 ( 3880 PWs) bands (ev): -19.1707 -19.1707 -18.4696 -18.4696 -18.4685 -18.4685 -18.2940 -18.2940 -18.1543 -18.1543 -18.1068 -18.1068 -3.2535 -3.2535 -3.2091 -3.2091 -3.1703 -3.1703 -1.9461 -1.9461 -1.8684 -1.8684 -1.6549 -1.6549 -1.3278 -1.3278 -1.0402 -1.0402 -0.8300 -0.8300 0.6480 0.6480 0.8523 0.8523 1.1581 1.1581 1.1822 1.1822 1.3959 1.3959 1.4909 1.4909 1.5054 1.5054 1.5571 1.5571 1.5731 1.5731 2.8898 2.8898 2.9900 2.9900 3.4906 3.4906 4.1195 4.1195 4.2369 4.2369 4.7514 4.7514 5.2589 5.2589 5.3812 5.3812 8.1271 8.1271 8.1516 8.1516 9.6398 9.6398 15.8683 15.8683 16.8116 16.8116 k = 0.0513-0.0365-0.0248 ( 3884 PWs) bands (ev): -19.1682 -19.1682 -18.4703 -18.4703 -18.4688 -18.4688 -18.2938 -18.2938 -18.1553 -18.1553 -18.1081 -18.1081 -3.2519 -3.2519 -3.2080 -3.2080 -3.1660 -3.1660 -1.9441 -1.9441 -1.8675 -1.8675 -1.6544 -1.6544 -1.3281 -1.3281 -1.0414 -1.0414 -0.8312 -0.8312 0.6468 0.6468 0.8514 0.8514 1.1498 1.1498 1.1798 1.1798 1.3863 1.3863 1.4828 1.4828 1.5052 1.5052 1.5559 1.5559 1.5707 1.5707 2.8981 2.8981 2.9993 2.9993 3.4982 3.4982 4.1237 4.1237 4.2414 4.2414 4.7491 4.7491 5.2585 5.2585 5.3796 5.3796 8.1204 8.1204 8.1450 8.1450 9.6591 9.6591 15.8770 15.8770 16.7747 16.7747 k = 0.0641-0.0456-0.0310 ( 3880 PWs) bands (ev): -19.1650 -19.1650 -18.4711 -18.4711 -18.4692 -18.4692 -18.2936 -18.2936 -18.1566 -18.1566 -18.1095 -18.1095 -3.2500 -3.2500 -3.2067 -3.2067 -3.1603 -3.1603 -1.9415 -1.9415 -1.8663 -1.8663 -1.6536 -1.6536 -1.3287 -1.3287 -1.0427 -1.0427 -0.8326 -0.8326 0.6451 0.6451 0.8499 0.8499 1.1377 1.1377 1.1779 1.1779 1.3755 1.3755 1.4720 1.4720 1.5039 1.5039 1.5535 1.5535 1.5698 1.5698 2.9083 2.9083 3.0112 3.0112 3.5078 3.5078 4.1290 4.1290 4.2470 4.2470 4.7463 4.7463 5.2580 5.2580 5.3777 5.3777 8.1118 8.1118 8.1367 8.1367 9.6838 9.6838 15.8876 15.8876 16.7287 16.7287 k = 0.0769-0.0547-0.0372 ( 3880 PWs) bands (ev): -19.1611 -19.1611 -18.4721 -18.4721 -18.4695 -18.4695 -18.2935 -18.2935 -18.1583 -18.1583 -18.1112 -18.1112 -3.2476 -3.2476 -3.2051 -3.2051 -3.1535 -3.1535 -1.9386 -1.9386 -1.8646 -1.8646 -1.6525 -1.6525 -1.3298 -1.3298 -1.0444 -1.0444 -0.8342 -0.8342 0.6429 0.6429 0.8476 0.8476 1.1218 1.1218 1.1763 1.1763 1.3641 1.3641 1.4588 1.4588 1.5008 1.5008 1.5504 1.5504 1.5708 1.5708 2.9204 2.9204 3.0254 3.0254 3.5194 3.5194 4.1354 4.1354 4.2537 4.2537 4.7428 4.7428 5.2574 5.2574 5.3754 5.3754 8.1013 8.1013 8.1266 8.1266 9.7138 9.7138 15.8998 15.8998 16.6745 16.6745 k = 0.0897-0.0638-0.0434 ( 3883 PWs) bands (ev): -19.1565 -19.1565 -18.4733 -18.4733 -18.4699 -18.4699 -18.2933 -18.2933 -18.1605 -18.1605 -18.1130 -18.1130 -3.2449 -3.2449 -3.2032 -3.2032 -3.1454 -3.1454 -1.9353 -1.9353 -1.8623 -1.8623 -1.6509 -1.6509 -1.3315 -1.3315 -1.0462 -1.0462 -0.8359 -0.8359 0.6400 0.6400 0.8443 0.8443 1.1021 1.1021 1.1749 1.1749 1.3525 1.3525 1.4438 1.4438 1.4958 1.4958 1.5472 1.5472 1.5730 1.5730 2.9340 2.9340 3.0419 3.0419 3.5328 3.5328 4.1427 4.1427 4.2614 4.2614 4.7387 4.7387 5.2568 5.2568 5.3729 5.3729 8.0889 8.0889 8.1148 8.1148 9.7492 9.7492 15.9127 15.9127 16.6131 16.6131 k = 0.1026-0.0729-0.0496 ( 3882 PWs) bands (ev): -19.1512 -19.1512 -18.4747 -18.4747 -18.4703 -18.4703 -18.2933 -18.2933 -18.1630 -18.1630 -18.1149 -18.1149 -3.2420 -3.2420 -3.2011 -3.2011 -3.1360 -3.1360 -1.9317 -1.9317 -1.8594 -1.8594 -1.6488 -1.6488 -1.3339 -1.3339 -1.0483 -1.0483 -0.8376 -0.8376 0.6363 0.6363 0.8396 0.8396 1.0787 1.0787 1.1736 1.1736 1.3413 1.3413 1.4274 1.4274 1.4890 1.4890 1.5446 1.5446 1.5760 1.5760 2.9489 2.9489 3.0605 3.0605 3.5480 3.5480 4.1508 4.1508 4.2700 4.2700 4.7341 4.7341 5.2563 5.2563 5.3702 5.3702 8.0746 8.0746 8.1014 8.1014 9.7897 9.7897 15.9252 15.9252 16.5460 16.5460 k = 0.1154-0.0820-0.0558 ( 3879 PWs) bands (ev): -19.1453 -19.1453 -18.4762 -18.4762 -18.4708 -18.4708 -18.2934 -18.2934 -18.1660 -18.1660 -18.1168 -18.1168 -3.2387 -3.2387 -3.1987 -3.1987 -3.1254 -3.1254 -1.9280 -1.9280 -1.8557 -1.8557 -1.6460 -1.6460 -1.3372 -1.3372 -1.0505 -1.0505 -0.8394 -0.8394 0.6317 0.6317 0.8332 0.8332 1.0519 1.0519 1.1723 1.1723 1.3307 1.3307 1.4104 1.4104 1.4807 1.4807 1.5425 1.5425 1.5793 1.5793 2.9650 2.9650 3.0809 3.0809 3.5647 3.5647 4.1597 4.1597 4.2794 4.2794 4.7290 4.7290 5.2559 5.2559 5.3674 5.3674 8.0584 8.0584 8.0865 8.0865 9.8353 9.8353 15.9355 15.9355 16.4754 16.4754 k = 0.1282-0.0911-0.0620 ( 3886 PWs) bands (ev): -19.1387 -19.1387 -18.4778 -18.4778 -18.4714 -18.4714 -18.2938 -18.2938 -18.1695 -18.1695 -18.1187 -18.1187 -3.2354 -3.2354 -3.1960 -3.1960 -3.1137 -3.1137 -1.9243 -1.9243 -1.8512 -1.8512 -1.6426 -1.6426 -1.3415 -1.3415 -1.0529 -1.0529 -0.8411 -0.8411 0.6259 0.6259 0.8247 0.8247 1.0219 1.0219 1.1710 1.1710 1.3209 1.3209 1.3934 1.3934 1.4715 1.4715 1.5408 1.5408 1.5829 1.5829 2.9821 2.9821 3.1031 3.1031 3.5829 3.5829 4.1692 4.1692 4.2893 4.2893 4.7233 4.7233 5.2556 5.2556 5.3647 5.3647 8.0404 8.0404 8.0702 8.0702 9.8858 9.8858 15.9405 15.9405 16.4049 16.4049 k = 0.1410-0.1003-0.0682 ( 3897 PWs) bands (ev): -19.1314 -19.1314 -18.4796 -18.4796 -18.4719 -18.4719 -18.2944 -18.2944 -18.1734 -18.1734 -18.1204 -18.1204 -3.2319 -3.2319 -3.1930 -3.1930 -3.1008 -3.1008 -1.9206 -1.9206 -1.8456 -1.8456 -1.6384 -1.6384 -1.3469 -1.3469 -1.0554 -1.0554 -0.8428 -0.8428 0.6186 0.6186 0.8139 0.8139 0.9891 0.9891 1.1695 1.1695 1.3121 1.3121 1.3771 1.3771 1.4618 1.4618 1.5392 1.5392 1.5864 1.5864 2.9999 2.9999 3.1267 3.1267 3.6025 3.6025 4.1790 4.1790 4.2997 4.2997 4.7171 4.7171 5.2556 5.2556 5.3620 5.3620 8.0205 8.0205 8.0526 8.0526 9.9411 9.9411 15.9349 15.9349 16.3402 16.3402 k = 0.1538-0.1094-0.0744 ( 3894 PWs) bands (ev): -19.1236 -19.1236 -18.4814 -18.4814 -18.4725 -18.4725 -18.2954 -18.2954 -18.1776 -18.1776 -18.1220 -18.1220 -3.2283 -3.2283 -3.1898 -3.1898 -3.0867 -3.0867 -1.9169 -1.9169 -1.8391 -1.8391 -1.6333 -1.6333 -1.3533 -1.3533 -1.0581 -1.0581 -0.8443 -0.8443 0.6096 0.6096 0.8005 0.8005 0.9540 0.9540 1.1679 1.1679 1.3041 1.3041 1.3624 1.3624 1.4521 1.4521 1.5376 1.5376 1.5899 1.5899 3.0185 3.0185 3.1517 3.1517 3.6234 3.6234 4.1892 4.1892 4.3104 4.3104 4.7105 4.7105 5.2559 5.2559 5.3596 5.3596 7.9988 7.9988 8.0338 8.0338 10.0010 10.0010 15.9112 15.9112 16.2888 16.2888 k = 0.1667-0.1185-0.0806 ( 3896 PWs) bands (ev): -19.1151 -19.1151 -18.4833 -18.4833 -18.4731 -18.4731 -18.2968 -18.2968 -18.1820 -18.1820 -18.1235 -18.1235 -3.2248 -3.2248 -3.1862 -3.1862 -3.0715 -3.0715 -1.9134 -1.9134 -1.8315 -1.8315 -1.6274 -1.6274 -1.3607 -1.3607 -1.0610 -1.0610 -0.8458 -0.8458 0.5984 0.5984 0.7845 0.7845 0.9171 0.9171 1.1663 1.1663 1.2967 1.2967 1.3497 1.3497 1.4426 1.4426 1.5360 1.5360 1.5931 1.5931 3.0376 3.0376 3.1777 3.1777 3.6453 3.6453 4.1996 4.1996 4.3212 4.3212 4.7035 4.7035 5.2565 5.2565 5.3576 5.3576 7.9755 7.9755 8.0138 8.0138 10.0654 10.0654 15.8635 15.8635 16.2571 16.2571 k = 0.1795-0.1276-0.0868 ( 3896 PWs) bands (ev): -19.1060 -19.1060 -18.4853 -18.4853 -18.4737 -18.4737 -18.2988 -18.2988 -18.1866 -18.1866 -18.1248 -18.1248 -3.2213 -3.2213 -3.1823 -3.1823 -3.0553 -3.0553 -1.9100 -1.9100 -1.8230 -1.8230 -1.6205 -1.6205 -1.3689 -1.3689 -1.0641 -1.0641 -0.8472 -0.8472 0.5844 0.5844 0.7658 0.7658 0.8789 0.8789 1.1646 1.1646 1.2899 1.2899 1.3397 1.3397 1.4336 1.4336 1.5342 1.5342 1.5961 1.5961 3.0571 3.0571 3.2046 3.2046 3.6683 3.6683 4.2099 4.2099 4.3318 4.3318 4.6961 4.6961 5.2576 5.2576 5.3562 5.3562 7.9506 7.9506 7.9929 7.9929 10.1340 10.1340 15.7924 15.7924 16.2442 16.2442 k = 0.1923-0.1367-0.0931 ( 3893 PWs) bands (ev): -19.0964 -19.0964 -18.4873 -18.4873 -18.4744 -18.4744 -18.3016 -18.3016 -18.1913 -18.1913 -18.1259 -18.1259 -3.2179 -3.2179 -3.1782 -3.1782 -3.0380 -3.0380 -1.9067 -1.9067 -1.8134 -1.8134 -1.6128 -1.6128 -1.3779 -1.3779 -1.0675 -1.0675 -0.8485 -0.8485 0.5671 0.5671 0.7449 0.7449 0.8400 0.8400 1.1629 1.1629 1.2834 1.2834 1.3327 1.3327 1.4253 1.4253 1.5322 1.5322 1.5988 1.5988 3.0770 3.0770 3.2321 3.2321 3.6921 3.6921 4.2199 4.2199 4.3420 4.3420 4.6885 4.6885 5.2592 5.2592 5.3554 5.3554 7.9241 7.9241 7.9711 7.9711 10.2069 10.2069 15.7039 15.7039 16.2439 16.2439 k = 0.2051-0.1458-0.0993 ( 3887 PWs) bands (ev): -19.0862 -19.0862 -18.4894 -18.4894 -18.4750 -18.4750 -18.3051 -18.3051 -18.1957 -18.1957 -18.1270 -18.1270 -3.2148 -3.2148 -3.1737 -3.1737 -3.0198 -3.0198 -1.9035 -1.9035 -1.8030 -1.8030 -1.6042 -1.6042 -1.3874 -1.3874 -1.0712 -1.0712 -0.8498 -0.8498 0.5457 0.5457 0.7224 0.7224 0.8008 0.8008 1.1613 1.1613 1.2774 1.2774 1.3285 1.3285 1.4179 1.4179 1.5299 1.5299 1.6011 1.6011 3.0972 3.0972 3.2603 3.2603 3.7168 3.7168 4.2296 4.2296 4.3516 4.3516 4.6806 4.6806 5.2614 5.2614 5.3555 5.3555 7.8963 7.8963 7.9485 7.9485 10.2836 10.2836 15.6040 15.6040 16.2497 16.2497 k = 0.2179-0.1549-0.1055 ( 3893 PWs) bands (ev): -19.0755 -19.0755 -18.4915 -18.4915 -18.4757 -18.4757 -18.3096 -18.3096 -18.1999 -18.1999 -18.1279 -18.1279 -3.2118 -3.2118 -3.1691 -3.1691 -3.0006 -3.0006 -1.9005 -1.9005 -1.7917 -1.7917 -1.5951 -1.5951 -1.3969 -1.3969 -1.0753 -1.0753 -0.8511 -0.8511 0.5197 0.5197 0.6991 0.6991 0.7617 0.7617 1.1600 1.1600 1.2720 1.2720 1.3268 1.3268 1.4114 1.4114 1.5274 1.5274 1.6031 1.6031 3.1176 3.1176 3.2887 3.2887 3.7421 3.7421 4.2388 4.2388 4.3602 4.3602 4.6725 4.6725 5.2642 5.2642 5.3566 5.3566 7.8673 7.8673 7.9251 7.9251 10.3641 10.3641 15.4966 15.4966 16.2569 16.2569 k = 0.2308-0.1641-0.1117 ( 3893 PWs) bands (ev): -19.0643 -19.0643 -18.4936 -18.4936 -18.4764 -18.4764 -18.3150 -18.3150 -18.2037 -18.2037 -18.1287 -18.1287 -3.2091 -3.2091 -3.1641 -3.1641 -2.9806 -2.9806 -1.8976 -1.8976 -1.7796 -1.7796 -1.5857 -1.5857 -1.4060 -1.4060 -1.0796 -1.0796 -0.8527 -0.8527 0.4888 0.4888 0.6756 0.6756 0.7229 0.7229 1.1590 1.1590 1.2675 1.2675 1.3271 1.3271 1.4060 1.4060 1.5245 1.5245 1.6047 1.6047 3.1381 3.1381 3.3174 3.3174 3.7680 3.7680 4.2472 4.2472 4.3678 4.3678 4.6643 4.6643 5.2678 5.2678 5.3587 5.3587 7.8372 7.8372 7.9012 7.9012 10.4482 10.4482 15.3840 15.3840 16.2623 16.2623 k = 0.2436-0.1732-0.1179 ( 3891 PWs) bands (ev): -19.0527 -19.0527 -18.4957 -18.4957 -18.4771 -18.4771 -18.3215 -18.3215 -18.2070 -18.2070 -18.1294 -18.1294 -3.2066 -3.2066 -3.1590 -3.1590 -2.9597 -2.9597 -1.8950 -1.8950 -1.7669 -1.7669 -1.5764 -1.5764 -1.4139 -1.4139 -1.0844 -1.0844 -0.8544 -0.8544 0.4532 0.4532 0.6522 0.6522 0.6846 0.6846 1.1585 1.1585 1.2640 1.2640 1.3290 1.3290 1.4017 1.4017 1.5214 1.5214 1.6059 1.6059 3.1586 3.1586 3.3461 3.3461 3.7944 3.7944 4.2548 4.2548 4.3741 4.3741 4.6559 4.6559 5.2723 5.2723 5.3621 5.3621 7.8061 7.8061 7.8769 7.8769 10.5357 10.5357 15.2679 15.2679 16.2636 16.2636 k = 0.2564-0.1823-0.1241 ( 3887 PWs) bands (ev): -19.0406 -19.0406 -18.4977 -18.4977 -18.4778 -18.4778 -18.3290 -18.3290 -18.2099 -18.2099 -18.1300 -18.1300 -3.2043 -3.2043 -3.1538 -3.1538 -2.9382 -2.9382 -1.8926 -1.8926 -1.7535 -1.7535 -1.5679 -1.5679 -1.4199 -1.4199 -1.0895 -1.0895 -0.8565 -0.8565 0.4135 0.4135 0.6276 0.6276 0.6485 0.6485 1.1584 1.1584 1.2615 1.2615 1.3320 1.3320 1.3984 1.3984 1.5179 1.5179 1.6067 1.6067 3.1792 3.1792 3.3748 3.3748 3.8213 3.8213 4.2614 4.2614 4.3790 4.3790 4.6473 4.6473 5.2778 5.2778 5.3667 5.3667 7.7743 7.7743 7.8522 7.8522 10.6264 10.6264 15.1491 15.1491 16.2600 16.2600 k = 0.2692-0.1914-0.1303 ( 3889 PWs) bands (ev): -19.0282 -19.0282 -18.4998 -18.4998 -18.4784 -18.4784 -18.3375 -18.3375 -18.2122 -18.2122 -18.1306 -18.1306 -3.2023 -3.2023 -3.1485 -3.1485 -2.9160 -2.9160 -1.8907 -1.8907 -1.7397 -1.7397 -1.5610 -1.5610 -1.4227 -1.4227 -1.0949 -1.0949 -0.8590 -0.8590 0.3703 0.3703 0.5971 0.5971 0.6191 0.6191 1.1590 1.1590 1.2602 1.2602 1.3359 1.3359 1.3963 1.3963 1.5142 1.5142 1.6072 1.6072 3.1996 3.1996 3.4034 3.4034 3.8485 3.8485 4.2668 4.2668 4.3822 4.3822 4.6386 4.6386 5.2842 5.2842 5.3726 5.3726 7.7419 7.7419 7.8273 7.8273 10.7202 10.7202 15.0283 15.0283 16.2513 16.2513 k = 0.2821-0.2005-0.1365 ( 3889 PWs) bands (ev): -19.0154 -19.0154 -18.5018 -18.5018 -18.4791 -18.4791 -18.3469 -18.3469 -18.2141 -18.2141 -18.1310 -18.1310 -3.2006 -3.2006 -3.1431 -3.1431 -2.8933 -2.8933 -1.8893 -1.8893 -1.7256 -1.7256 -1.5563 -1.5563 -1.4214 -1.4214 -1.1006 -1.1006 -0.8620 -0.8620 0.3248 0.3248 0.5607 0.5607 0.5964 0.5964 1.1600 1.1600 1.2598 1.2598 1.3404 1.3404 1.3952 1.3952 1.5102 1.5102 1.6073 1.6073 3.2199 3.2199 3.4316 3.4316 3.8760 3.8760 4.2711 4.2711 4.3839 4.3839 4.6297 4.6297 5.2916 5.2916 5.3798 5.3798 7.7091 7.7091 7.8023 7.8023 10.8168 10.8168 14.9059 14.9059 16.2384 16.2384 k = 0.2949-0.2096-0.1427 ( 3881 PWs) bands (ev): -19.0024 -19.0024 -18.5037 -18.5037 -18.4798 -18.4798 -18.3571 -18.3571 -18.2156 -18.2156 -18.1314 -18.1314 -3.1991 -3.1991 -3.1377 -3.1377 -2.8701 -2.8701 -1.8886 -1.8886 -1.7115 -1.7115 -1.5540 -1.5540 -1.4155 -1.4155 -1.1067 -1.1067 -0.8656 -0.8656 0.2777 0.2777 0.5226 0.5226 0.5761 0.5761 1.1617 1.1617 1.2604 1.2604 1.3452 1.3452 1.3951 1.3951 1.5060 1.5060 1.6070 1.6070 3.2398 3.2398 3.4595 3.4595 3.9036 3.9036 4.2742 4.2742 4.3839 4.3839 4.6205 4.6205 5.3002 5.3002 5.3881 5.3881 7.6762 7.6762 7.7775 7.7775 10.9161 10.9161 14.7823 14.7823 16.2223 16.2223 k = 0.3077-0.2188-0.1489 ( 3877 PWs) bands (ev): -18.9891 -18.9891 -18.5056 -18.5056 -18.4805 -18.4805 -18.3679 -18.3679 -18.2167 -18.2167 -18.1317 -18.1317 -3.1977 -3.1977 -3.1324 -3.1324 -2.8467 -2.8467 -1.8887 -1.8887 -1.6979 -1.6979 -1.5534 -1.5534 -1.4053 -1.4053 -1.1129 -1.1129 -0.8698 -0.8698 0.2297 0.2297 0.4843 0.4843 0.5569 0.5569 1.1638 1.1638 1.2618 1.2618 1.3502 1.3502 1.3959 1.3959 1.5015 1.5015 1.6063 1.6063 3.2595 3.2595 3.4869 3.4869 3.9314 3.9314 4.2760 4.2760 4.3823 4.3823 4.6108 4.6108 5.3098 5.3098 5.3975 5.3975 7.6432 7.6432 7.7529 7.7529 11.0179 11.0179 14.6578 14.6578 16.2043 16.2043 k = 0.3205-0.2279-0.1551 ( 3875 PWs) bands (ev): -18.9756 -18.9756 -18.5074 -18.5074 -18.4812 -18.4812 -18.3793 -18.3793 -18.2175 -18.2175 -18.1320 -18.1320 -3.1966 -3.1966 -3.1272 -3.1272 -2.8230 -2.8230 -1.8897 -1.8897 -1.6853 -1.6853 -1.5530 -1.5530 -1.3915 -1.3915 -1.1194 -1.1194 -0.8747 -0.8747 0.1815 0.1815 0.4463 0.4463 0.5384 0.5384 1.1663 1.1663 1.2640 1.2640 1.3552 1.3552 1.3975 1.3975 1.4968 1.4968 1.6053 1.6053 3.2787 3.2787 3.5137 3.5137 3.9592 3.9592 4.2766 4.2766 4.3794 4.3794 4.6006 4.6006 5.3205 5.3205 5.4079 5.4079 7.6105 7.6105 7.7287 7.7287 11.1221 11.1221 14.5325 14.5325 16.1854 16.1854 k = 0.3333-0.2370-0.1613 ( 3872 PWs) bands (ev): -18.9621 -18.9621 -18.5092 -18.5092 -18.4820 -18.4820 -18.3910 -18.3910 -18.2182 -18.2182 -18.1323 -18.1323 -3.1957 -3.1957 -3.1222 -3.1222 -2.7993 -2.7993 -1.8919 -1.8919 -1.6743 -1.6743 -1.5512 -1.5512 -1.3750 -1.3750 -1.1259 -1.1259 -0.8803 -0.8803 0.1337 0.1337 0.4090 0.4090 0.5207 0.5207 1.1693 1.1693 1.2669 1.2669 1.3600 1.3600 1.3998 1.3998 1.4921 1.4921 1.6040 1.6040 3.2973 3.2973 3.5398 3.5398 3.9870 3.9870 4.2759 4.2759 4.3753 4.3753 4.5898 4.5898 5.3320 5.3320 5.4189 5.4189 7.5783 7.5783 7.7050 7.7050 11.2284 11.2284 14.4066 14.4066 16.1662 16.1662 k = 0.3462-0.2461-0.1675 ( 3874 PWs) bands (ev): -18.9485 -18.9485 -18.5108 -18.5108 -18.4827 -18.4827 -18.4029 -18.4029 -18.2186 -18.2186 -18.1325 -18.1325 -3.1950 -3.1950 -3.1173 -3.1173 -2.7757 -2.7757 -1.8953 -1.8953 -1.6658 -1.6658 -1.5468 -1.5468 -1.3566 -1.3566 -1.1325 -1.1325 -0.8867 -0.8867 0.0867 0.0867 0.3727 0.3727 0.5036 0.5036 1.1724 1.1724 1.2703 1.2703 1.3646 1.3646 1.4028 1.4028 1.4872 1.4872 1.6024 1.6024 3.3152 3.3152 3.5650 3.5650 4.0146 4.0146 4.2741 4.2741 4.3702 4.3702 4.5781 4.5781 5.3444 5.3444 5.4305 5.4305 7.5469 7.5469 7.6822 7.6822 11.3369 11.3369 14.2803 14.2803 16.1475 16.1475 k = 0.3590-0.2552-0.1737 ( 3870 PWs) bands (ev): -18.9350 -18.9350 -18.5124 -18.5124 -18.4836 -18.4836 -18.4149 -18.4149 -18.2189 -18.2189 -18.1326 -18.1326 -3.1944 -3.1944 -3.1127 -3.1127 -2.7525 -2.7525 -1.8999 -1.8999 -1.6598 -1.6598 -1.5389 -1.5389 -1.3371 -1.3371 -1.1389 -1.1389 -0.8938 -0.8938 0.0410 0.0410 0.3377 0.3377 0.4874 0.4874 1.1758 1.1758 1.2742 1.2742 1.3688 1.3688 1.4063 1.4063 1.4824 1.4824 1.6006 1.6006 3.3324 3.3324 3.5894 3.5894 4.0419 4.0419 4.2713 4.2713 4.3644 4.3644 4.5656 4.5656 5.3573 5.3573 5.4425 5.4425 7.5165 7.5165 7.6602 7.6602 11.4472 11.4472 14.1537 14.1537 16.1296 16.1296 k = 0.3718-0.2643-0.1799 ( 3871 PWs) bands (ev): -18.9217 -18.9217 -18.5138 -18.5138 -18.4846 -18.4846 -18.4266 -18.4266 -18.2191 -18.2191 -18.1327 -18.1327 -3.1939 -3.1939 -3.1083 -3.1083 -2.7297 -2.7297 -1.9058 -1.9058 -1.6562 -1.6562 -1.5278 -1.5278 -1.3172 -1.3172 -1.1449 -1.1449 -0.9016 -0.9016 -0.0029 -0.0029 0.3042 0.3042 0.4720 0.4720 1.1793 1.1793 1.2786 1.2786 1.3725 1.3725 1.4102 1.4102 1.4776 1.4776 1.5985 1.5985 3.3487 3.3487 3.6126 3.6126 4.0689 4.0689 4.2677 4.2677 4.3583 4.3583 4.5522 4.5522 5.3705 5.3705 5.4545 5.4545 7.4873 7.4873 7.6394 7.6394 11.5592 11.5592 14.0270 14.0270 16.1128 16.1128 k = 0.3846-0.2734-0.1861 ( 3868 PWs) bands (ev): -18.9087 -18.9087 -18.5152 -18.5152 -18.4859 -18.4859 -18.4380 -18.4380 -18.2192 -18.2192 -18.1328 -18.1328 -3.1936 -3.1936 -3.1042 -3.1042 -2.7077 -2.7077 -1.9127 -1.9127 -1.6542 -1.6542 -1.5141 -1.5141 -1.2975 -1.2975 -1.1502 -1.1502 -0.9102 -0.9102 -0.0446 -0.0446 0.2726 0.2726 0.4577 0.4577 1.1827 1.1827 1.2832 1.2832 1.3757 1.3757 1.4143 1.4143 1.4730 1.4730 1.5963 1.5963 3.3640 3.3640 3.6346 3.6346 4.0952 4.0952 4.2634 4.2634 4.3520 4.3520 4.5378 4.5378 5.3838 5.3838 5.4663 5.4663 7.4597 7.4597 7.6198 7.6198 11.6729 11.6729 13.9002 13.9002 16.0973 16.0973 k = 0.3974-0.2826-0.1923 ( 3865 PWs) bands (ev): -18.8961 -18.8961 -18.5164 -18.5164 -18.4876 -18.4876 -18.4485 -18.4485 -18.2193 -18.2193 -18.1329 -18.1329 -3.1933 -3.1933 -3.1005 -3.1005 -2.6867 -2.6867 -1.9205 -1.9205 -1.6530 -1.6530 -1.4987 -1.4987 -1.2791 -1.2791 -1.1542 -1.1542 -0.9194 -0.9194 -0.0837 -0.0837 0.2433 0.2433 0.4446 0.4446 1.1861 1.1861 1.2880 1.2880 1.3782 1.3782 1.4186 1.4186 1.4687 1.4687 1.5939 1.5939 3.3781 3.3781 3.6552 3.6552 4.1208 4.1208 4.2588 4.2588 4.3460 4.3460 4.5225 4.5225 5.3968 5.3968 5.4778 5.4778 7.4340 7.4340 7.6017 7.6017 11.7880 11.7880 13.7735 13.7735 16.0833 16.0833 k = 0.4103-0.2917-0.1985 ( 3866 PWs) bands (ev): -18.8842 -18.8842 -18.5175 -18.5175 -18.4901 -18.4901 -18.4577 -18.4577 -18.2193 -18.2193 -18.1330 -18.1330 -3.1932 -3.1932 -3.0971 -3.0971 -2.6671 -2.6671 -1.9289 -1.9289 -1.6523 -1.6523 -1.4824 -1.4824 -1.2630 -1.2630 -1.1560 -1.1560 -0.9292 -0.9292 -0.1197 -0.1197 0.2164 0.2164 0.4327 0.4327 1.1893 1.1893 1.2928 1.2928 1.3800 1.3800 1.4228 1.4228 1.4649 1.4649 1.5915 1.5915 3.3910 3.3910 3.6742 3.6742 4.1452 4.1452 4.2544 4.2544 4.3405 4.3405 4.5064 4.5064 5.4093 5.4093 5.4885 5.4885 7.4105 7.4105 7.5853 7.5853 11.9044 11.9044 13.6469 13.6469 16.0708 16.0708 k = 0.4231-0.3008-0.2047 ( 3862 PWs) bands (ev): -18.8731 -18.8731 -18.5186 -18.5186 -18.4936 -18.4936 -18.4650 -18.4650 -18.2194 -18.2194 -18.1330 -18.1330 -3.1931 -3.1931 -3.0942 -3.0942 -2.6490 -2.6490 -1.9374 -1.9374 -1.6516 -1.6516 -1.4661 -1.4661 -1.2507 -1.2507 -1.1543 -1.1543 -0.9395 -0.9395 -0.1522 -0.1522 0.1923 0.1923 0.4222 0.4222 1.1923 1.1923 1.2976 1.2976 1.3812 1.3812 1.4269 1.4269 1.4615 1.4615 1.5891 1.5891 3.4025 3.4025 3.6913 3.6913 4.1676 4.1676 4.2507 4.2507 4.3359 4.3359 4.4894 4.4894 5.4209 5.4209 5.4984 5.4984 7.3893 7.3893 7.5706 7.5706 12.0219 12.0219 13.5207 13.5207 16.0599 16.0599 k = 0.4359-0.3099-0.2109 ( 3856 PWs) bands (ev): -18.8631 -18.8631 -18.5196 -18.5196 -18.4983 -18.4983 -18.4700 -18.4700 -18.2193 -18.2193 -18.1330 -18.1330 -3.1930 -3.1930 -3.0916 -3.0916 -2.6328 -2.6328 -1.9456 -1.9456 -1.6509 -1.6509 -1.4504 -1.4504 -1.2434 -1.2434 -1.1485 -1.1485 -0.9501 -0.9501 -0.1807 -0.1807 0.1714 0.1714 0.4132 0.4132 1.1949 1.1949 1.3022 1.3022 1.3817 1.3817 1.4306 1.4306 1.4587 1.4587 1.5868 1.5868 3.4125 3.4125 3.7064 3.7064 4.1867 4.1867 4.2490 4.2490 4.3328 4.3328 4.4718 4.4718 5.4313 5.4313 5.5072 5.5072 7.3709 7.3709 7.5579 7.5579 12.1402 12.1402 13.3951 13.3951 16.0507 16.0507 k = 0.4487-0.3190-0.2171 ( 3852 PWs) bands (ev): -18.8544 -18.8544 -18.5205 -18.5205 -18.5034 -18.5034 -18.4732 -18.4732 -18.2193 -18.2193 -18.1330 -18.1330 -3.1929 -3.1929 -3.0895 -3.0895 -2.6190 -2.6190 -1.9531 -1.9531 -1.6502 -1.6502 -1.4360 -1.4360 -1.2407 -1.2407 -1.1390 -1.1390 -0.9608 -0.9608 -0.2047 -0.2047 0.1538 0.1538 0.4057 0.4057 1.1972 1.1972 1.3065 1.3065 1.3817 1.3817 1.4337 1.4337 1.4566 1.4566 1.5848 1.5848 3.4208 3.4208 3.7192 3.7192 4.2003 4.2003 4.2509 4.2509 4.3317 4.3317 4.4537 4.4537 5.4402 5.4402 5.5147 5.5147 7.3554 7.3554 7.5473 7.5473 12.2591 12.2591 13.2702 13.2702 16.0431 16.0431 k = 0.4615-0.3281-0.2233 ( 3850 PWs) bands (ev): -18.8473 -18.8473 -18.5215 -18.5215 -18.5082 -18.5082 -18.4751 -18.4751 -18.2193 -18.2193 -18.1330 -18.1330 -3.1929 -3.1929 -3.0878 -3.0878 -2.6078 -2.6078 -1.9595 -1.9595 -1.6496 -1.6496 -1.4236 -1.4236 -1.2410 -1.2410 -1.1278 -1.1278 -0.9709 -0.9709 -0.2239 -0.2239 0.1398 0.1398 0.3998 0.3998 1.1990 1.1990 1.3101 1.3101 1.3813 1.3813 1.4361 1.4361 1.4553 1.4553 1.5830 1.5830 3.4274 3.4274 3.7295 3.7295 4.2072 4.2072 4.2569 4.2569 4.3336 4.3336 4.4356 4.4356 5.4475 5.4475 5.5208 5.5208 7.3432 7.3432 7.5389 7.5389 12.3779 12.3779 13.1468 13.1468 16.0373 16.0373 k = 0.4744-0.3372-0.2295 ( 3855 PWs) bands (ev): -18.8419 -18.8419 -18.5224 -18.5224 -18.5118 -18.5118 -18.4762 -18.4762 -18.2193 -18.2193 -18.1330 -18.1330 -3.1929 -3.1929 -3.0866 -3.0866 -2.5995 -2.5995 -1.9644 -1.9644 -1.6491 -1.6491 -1.4140 -1.4140 -1.2427 -1.2427 -1.1173 -1.1173 -0.9797 -0.9797 -0.2379 -0.2379 0.1297 0.1297 0.3955 0.3955 1.2003 1.2003 1.3129 1.3129 1.3807 1.3807 1.4378 1.4378 1.4545 1.4545 1.5817 1.5817 3.4321 3.4321 3.7371 3.7371 4.2093 4.2093 4.2640 4.2640 4.3390 4.3390 4.4183 4.4183 5.4528 5.4528 5.5252 5.5252 7.3343 7.3343 7.5329 7.5329 12.4950 12.4950 13.0265 13.0265 16.0331 16.0331 k = 0.4872-0.3464-0.2357 ( 3850 PWs) bands (ev): -18.8386 -18.8386 -18.5233 -18.5233 -18.5139 -18.5139 -18.4768 -18.4768 -18.2193 -18.2193 -18.1330 -18.1330 -3.1929 -3.1929 -3.0859 -3.0859 -2.5945 -2.5945 -1.9675 -1.9675 -1.6487 -1.6487 -1.4078 -1.4078 -1.2443 -1.2443 -1.1097 -1.1097 -0.9859 -0.9859 -0.2464 -0.2464 0.1235 0.1235 0.3929 0.3929 1.2012 1.2012 1.3147 1.3147 1.3803 1.3803 1.4387 1.4387 1.4542 1.4542 1.5809 1.5809 3.4350 3.4350 3.7417 3.7417 4.2096 4.2096 4.2689 4.2689 4.3466 4.3466 4.4038 4.4038 5.4561 5.4561 5.5278 5.5278 7.3289 7.3289 7.5292 7.5292 12.6041 12.6041 12.9154 12.9154 16.0306 16.0306 k = 0.5000-0.3555-0.2419 ( 3854 PWs) bands (ev): -18.8375 -18.8375 -18.5236 -18.5236 -18.5145 -18.5145 -18.4770 -18.4770 -18.2193 -18.2193 -18.1330 -18.1330 -3.1929 -3.1929 -3.0857 -3.0857 -2.5928 -2.5928 -1.9685 -1.9685 -1.6486 -1.6486 -1.4056 -1.4056 -1.2449 -1.2449 -1.1069 -1.1069 -0.9882 -0.9882 -0.2493 -0.2493 0.1215 0.1215 0.3921 0.3921 1.2014 1.2014 1.3154 1.3154 1.3801 1.3801 1.4390 1.4390 1.4541 1.4541 1.5806 1.5806 3.4360 3.4360 3.7432 3.7432 4.2096 4.2096 4.2706 4.2706 4.3509 4.3509 4.3973 4.3973 5.4572 5.4572 5.5287 5.5287 7.3270 7.3270 7.5280 7.5280 12.6659 12.6659 12.8530 12.8530 16.0297 16.0297 k = 0.5000-0.3555-0.2419 ( 3854 PWs) bands (ev): -18.8375 -18.8375 -18.5236 -18.5236 -18.5145 -18.5145 -18.4770 -18.4770 -18.2193 -18.2193 -18.1330 -18.1330 -3.1929 -3.1929 -3.0857 -3.0857 -2.5928 -2.5928 -1.9685 -1.9685 -1.6486 -1.6486 -1.4056 -1.4056 -1.2449 -1.2449 -1.1069 -1.1069 -0.9882 -0.9882 -0.2493 -0.2493 0.1215 0.1215 0.3921 0.3921 1.2014 1.2014 1.3154 1.3154 1.3801 1.3801 1.4390 1.4390 1.4541 1.4541 1.5806 1.5806 3.4360 3.4360 3.7432 3.7432 4.2096 4.2096 4.2706 4.2706 4.3509 4.3509 4.3973 4.3973 5.4572 5.4572 5.5287 5.5287 7.3270 7.3270 7.5280 7.5280 12.6659 12.6659 12.8530 12.8530 16.0297 16.0297 k = 0.5000-0.3460-0.2558 ( 3850 PWs) bands (ev): -18.8374 -18.8374 -18.5259 -18.5259 -18.5133 -18.5133 -18.4759 -18.4759 -18.2194 -18.2194 -18.1332 -18.1332 -3.1944 -3.1944 -3.0862 -3.0862 -2.5928 -2.5928 -1.9666 -1.9666 -1.6486 -1.6486 -1.4060 -1.4060 -1.2444 -1.2444 -1.1075 -1.1075 -0.9872 -0.9872 -0.2480 -0.2480 0.1226 0.1226 0.3928 0.3928 1.2000 1.2000 1.3140 1.3140 1.3800 1.3800 1.4390 1.4390 1.4540 1.4540 1.5803 1.5803 3.4361 3.4361 3.7425 3.7425 4.2089 4.2089 4.2707 4.2707 4.3483 4.3483 4.4009 4.4009 5.4565 5.4565 5.5281 5.5281 7.3274 7.3274 7.5285 7.5285 12.6672 12.6672 12.8547 12.8547 16.0277 16.0277 k = 0.5000-0.3365-0.2698 ( 3850 PWs) bands (ev): -18.8369 -18.8369 -18.5307 -18.5307 -18.5113 -18.5113 -18.4728 -18.4728 -18.2196 -18.2196 -18.1337 -18.1337 -3.1988 -3.1988 -3.0877 -3.0877 -2.5931 -2.5931 -1.9609 -1.9609 -1.6484 -1.6484 -1.4068 -1.4068 -1.2429 -1.2429 -1.1094 -1.1094 -0.9842 -0.9842 -0.2443 -0.2443 0.1257 0.1257 0.3949 0.3949 1.1957 1.1957 1.3098 1.3098 1.3796 1.3796 1.4391 1.4391 1.4537 1.4537 1.5794 1.5794 3.4362 3.4362 3.7403 3.7403 4.2070 4.2070 4.2709 4.2709 4.3424 4.3424 4.4096 4.4096 5.4546 5.4546 5.5261 5.5261 7.3284 7.3284 7.5301 7.5301 12.6712 12.6712 12.8597 12.8597 16.0215 16.0215 k = 0.5000-0.3271-0.2837 ( 3856 PWs) bands (ev): -18.8361 -18.8361 -18.5367 -18.5367 -18.5097 -18.5097 -18.4681 -18.4681 -18.2199 -18.2199 -18.1345 -18.1345 -3.2062 -3.2062 -3.0899 -3.0899 -2.5934 -2.5934 -1.9518 -1.9518 -1.6481 -1.6481 -1.4082 -1.4082 -1.2408 -1.2408 -1.1120 -1.1120 -0.9793 -0.9793 -0.2381 -0.2381 0.1310 0.1310 0.3984 0.3984 1.1887 1.1887 1.3028 1.3028 1.3790 1.3790 1.4390 1.4390 1.4533 1.4533 1.5780 1.5780 3.4363 3.4363 3.7366 3.7366 4.2035 4.2035 4.2712 4.2712 4.3359 4.3359 4.4210 4.4210 5.4513 5.4513 5.5227 5.5227 7.3300 7.3300 7.5327 7.5327 12.6780 12.6780 12.8681 12.8681 16.0110 16.0110 k = 0.5000-0.3176-0.2976 ( 3852 PWs) bands (ev): -18.8350 -18.8350 -18.5431 -18.5431 -18.5084 -18.5084 -18.4624 -18.4624 -18.2204 -18.2204 -18.1357 -18.1357 -3.2165 -3.2165 -3.0927 -3.0927 -2.5939 -2.5939 -1.9395 -1.9395 -1.6476 -1.6476 -1.4098 -1.4098 -1.2383 -1.2383 -1.1150 -1.1150 -0.9726 -0.9726 -0.2298 -0.2298 0.1383 0.1383 0.4033 0.4033 1.1791 1.1791 1.2931 1.2931 1.3783 1.3783 1.4385 1.4385 1.4528 1.4528 1.5759 1.5759 3.4365 3.4365 3.7317 3.7317 4.1987 4.1987 4.2712 4.2712 4.3307 4.3307 4.4335 4.4335 5.4470 5.4470 5.5182 5.5182 7.3323 7.3323 7.5363 7.5363 12.6874 12.6874 12.8798 12.8798 15.9962 15.9962 k = 0.5000-0.3081-0.3115 ( 3850 PWs) bands (ev): -18.8335 -18.8335 -18.5499 -18.5499 -18.5074 -18.5074 -18.4560 -18.4560 -18.2211 -18.2211 -18.1372 -18.1372 -3.2296 -3.2296 -3.0959 -3.0959 -2.5944 -2.5944 -1.9247 -1.9247 -1.6467 -1.6467 -1.4115 -1.4115 -1.2360 -1.2360 -1.1177 -1.1177 -0.9642 -0.9642 -0.2193 -0.2193 0.1477 0.1477 0.4096 0.4096 1.1672 1.1672 1.2809 1.2809 1.3772 1.3772 1.4375 1.4375 1.4524 1.4524 1.5732 1.5732 3.4367 3.4367 3.7255 3.7255 4.1922 4.1922 4.2707 4.2707 4.3274 4.3274 4.4464 4.4464 5.4415 5.4415 5.5126 5.5126 7.3351 7.3351 7.5408 7.5408 12.6996 12.6996 12.8947 12.8947 15.9766 15.9766 k = 0.5000-0.2986-0.3254 ( 3848 PWs) bands (ev): -18.8318 -18.8318 -18.5568 -18.5568 -18.5065 -18.5065 -18.4491 -18.4491 -18.2218 -18.2218 -18.1389 -18.1389 -3.2455 -3.2455 -3.0991 -3.0991 -2.5951 -2.5951 -1.9079 -1.9079 -1.6454 -1.6454 -1.4131 -1.4131 -1.2345 -1.2345 -1.1194 -1.1194 -0.9544 -0.9544 -0.2071 -0.2071 0.1590 0.1590 0.4172 0.4172 1.1531 1.1531 1.2665 1.2665 1.3756 1.3756 1.4357 1.4357 1.4520 1.4520 1.5699 1.5699 3.4368 3.4368 3.7182 3.7182 4.1843 4.1843 4.2697 4.2697 4.3265 4.3265 4.4594 4.4594 5.4350 5.4350 5.5059 5.5059 7.3384 7.3384 7.5462 7.5462 12.7145 12.7145 12.9128 12.9128 15.9522 15.9522 k = 0.5000-0.2892-0.3394 ( 3856 PWs) bands (ev): -18.8298 -18.8298 -18.5638 -18.5638 -18.5057 -18.5057 -18.4420 -18.4420 -18.2228 -18.2228 -18.1410 -18.1410 -3.2637 -3.2637 -3.1024 -3.1024 -2.5958 -2.5958 -1.8899 -1.8899 -1.6437 -1.6437 -1.4142 -1.4142 -1.2343 -1.2343 -1.1193 -1.1193 -0.9431 -0.9431 -0.1932 -0.1932 0.1722 0.1722 0.4261 0.4261 1.1369 1.1369 1.2503 1.2503 1.3733 1.3733 1.4332 1.4332 1.4517 1.4517 1.5659 1.5659 3.4368 3.4368 3.7100 3.7100 4.1751 4.1751 4.2682 4.2682 4.3277 4.3277 4.4722 4.4722 5.4275 5.4275 5.4984 5.4984 7.3422 7.3422 7.5524 7.5524 12.7322 12.7322 12.9340 12.9340 15.9225 15.9225 k = 0.5000-0.2797-0.3533 ( 3862 PWs) bands (ev): -18.8275 -18.8275 -18.5707 -18.5707 -18.5049 -18.5049 -18.4348 -18.4348 -18.2239 -18.2239 -18.1433 -18.1433 -3.2839 -3.2839 -3.1057 -3.1057 -2.5966 -2.5966 -1.8712 -1.8712 -1.6415 -1.6415 -1.4145 -1.4145 -1.2356 -1.2356 -1.1170 -1.1170 -0.9305 -0.9305 -0.1780 -0.1780 0.1871 0.1871 0.4363 0.4363 1.1188 1.1188 1.2326 1.2326 1.3701 1.3701 1.4298 1.4298 1.4515 1.4515 1.5612 1.5612 3.4365 3.4365 3.7009 3.7009 4.1648 4.1648 4.2662 4.2662 4.3306 4.3306 4.4847 4.4847 5.4193 5.4193 5.4901 5.4901 7.3463 7.3463 7.5592 7.5592 12.7527 12.7527 12.9583 12.9583 15.8875 15.8875 k = 0.5000-0.2702-0.3672 ( 3866 PWs) bands (ev): -18.8250 -18.8250 -18.5777 -18.5777 -18.5040 -18.5040 -18.4276 -18.4276 -18.2251 -18.2251 -18.1458 -18.1458 -3.3056 -3.3056 -3.1090 -3.1090 -2.5975 -2.5975 -1.8526 -1.8526 -1.6388 -1.6388 -1.4139 -1.4139 -1.2384 -1.2384 -1.1123 -1.1123 -0.9167 -0.9167 -0.1617 -0.1617 0.2037 0.2037 0.4476 0.4476 1.0988 1.0988 1.2138 1.2138 1.3659 1.3659 1.4256 1.4256 1.4514 1.4514 1.5560 1.5560 3.4360 3.4360 3.6912 3.6912 4.1538 4.1538 4.2641 4.2641 4.3349 4.3349 4.4968 4.4968 5.4105 5.4105 5.4813 5.4813 7.3507 7.3507 7.5666 7.5666 12.7759 12.7759 12.9854 12.9854 15.8469 15.8469 k = 0.5000-0.2607-0.3811 ( 3854 PWs) bands (ev): -18.8223 -18.8223 -18.5845 -18.5845 -18.5031 -18.5031 -18.4203 -18.4203 -18.2265 -18.2265 -18.1485 -18.1485 -3.3286 -3.3286 -3.1123 -3.1123 -2.5984 -2.5984 -1.8347 -1.8347 -1.6358 -1.6358 -1.4120 -1.4120 -1.2423 -1.2423 -1.1052 -1.1052 -0.9017 -0.9017 -0.1444 -0.1444 0.2218 0.2218 0.4600 0.4600 1.0773 1.0773 1.1942 1.1942 1.3604 1.3604 1.4203 1.4203 1.4512 1.4512 1.5504 1.5504 3.4351 3.4351 3.6811 3.6811 4.1423 4.1423 4.2619 4.2619 4.3402 4.3402 4.5083 4.5083 5.4013 5.4013 5.4721 5.4721 7.3554 7.3554 7.5744 7.5744 12.8019 12.8019 13.0155 13.0155 15.8007 15.8007 k = 0.5000-0.2513-0.3950 ( 3850 PWs) bands (ev): -18.8193 -18.8193 -18.5912 -18.5912 -18.5021 -18.5021 -18.4131 -18.4131 -18.2280 -18.2280 -18.1515 -18.1515 -3.3525 -3.3525 -3.1156 -3.1156 -2.5995 -2.5995 -1.8179 -1.8179 -1.6326 -1.6326 -1.4086 -1.4086 -1.2467 -1.2467 -1.0959 -1.0959 -0.8858 -0.8858 -0.1264 -0.1264 0.2413 0.2413 0.4734 0.4734 1.0541 1.0541 1.1741 1.1741 1.3538 1.3538 1.4141 1.4141 1.4511 1.4511 1.5442 1.5442 3.4339 3.4339 3.6706 3.6706 4.1304 4.1304 4.2595 4.2595 4.3461 4.3461 4.5192 4.5192 5.3918 5.3918 5.4627 5.4627 7.3601 7.3601 7.5826 7.5826 12.8306 12.8306 13.0483 13.0483 15.7489 15.7489 k = 0.5000-0.2418-0.4089 ( 3848 PWs) bands (ev): -18.8162 -18.8162 -18.5978 -18.5978 -18.5010 -18.5010 -18.4060 -18.4060 -18.2297 -18.2297 -18.1545 -18.1545 -3.3768 -3.3768 -3.1190 -3.1190 -2.6006 -2.6006 -1.8028 -1.8028 -1.6294 -1.6294 -1.4038 -1.4038 -1.2509 -1.2509 -1.0849 -1.0849 -0.8690 -0.8690 -0.1077 -0.1077 0.2618 0.2618 0.4876 0.4876 1.0297 1.0297 1.1539 1.1539 1.3458 1.3458 1.4067 1.4067 1.4508 1.4508 1.5378 1.5378 3.4321 3.4321 3.6599 3.6599 4.1185 4.1185 4.2570 4.2570 4.3523 4.3523 4.5293 4.5293 5.3821 5.3821 5.4532 5.4532 7.3650 7.3650 7.5910 7.5910 12.8620 12.8620 13.0838 13.0838 15.6917 15.6917 k = 0.5000-0.2323-0.4229 ( 3848 PWs) bands (ev): -18.8130 -18.8130 -18.6042 -18.6042 -18.4999 -18.4999 -18.3990 -18.3990 -18.2315 -18.2315 -18.1577 -18.1577 -3.4014 -3.4014 -3.1225 -3.1225 -2.6018 -2.6018 -1.7895 -1.7895 -1.6264 -1.6264 -1.3977 -1.3977 -1.2542 -1.2542 -1.0722 -1.0722 -0.8516 -0.8516 -0.0884 -0.0884 0.2832 0.2832 0.5025 0.5025 1.0043 1.0043 1.1338 1.1338 1.3365 1.3365 1.3981 1.3981 1.4505 1.4505 1.5311 1.5311 3.4299 3.4299 3.6492 3.6492 4.1066 4.1066 4.2544 4.2544 4.3588 4.3588 4.5388 4.5388 5.3724 5.3724 5.4438 5.4438 7.3699 7.3699 7.5995 7.5995 12.8962 12.8962 13.1218 13.1218 15.6297 15.6297 k = 0.5000-0.2229-0.4368 ( 3852 PWs) bands (ev): -18.8096 -18.8096 -18.6105 -18.6105 -18.4986 -18.4986 -18.3922 -18.3922 -18.2334 -18.2334 -18.1610 -18.1610 -3.4259 -3.4259 -3.1260 -3.1260 -2.6031 -2.6031 -1.7782 -1.7782 -1.6239 -1.6239 -1.3906 -1.3906 -1.2561 -1.2561 -1.0581 -1.0581 -0.8336 -0.8336 -0.0687 -0.0687 0.3052 0.3052 0.5178 0.5178 0.9782 0.9782 1.1139 1.1139 1.3259 1.3259 1.3884 1.3884 1.4500 1.4500 1.5244 1.5244 3.4271 3.4271 3.6386 3.6386 4.0948 4.0948 4.2517 4.2517 4.3654 4.3654 4.5475 4.5475 5.3628 5.3628 5.4346 5.4346 7.3747 7.3747 7.6080 7.6080 12.9329 12.9329 13.1623 13.1623 15.5633 15.5633 k = 0.5000-0.2134-0.4507 ( 3852 PWs) bands (ev): -18.8062 -18.8062 -18.6165 -18.6165 -18.4973 -18.4973 -18.3856 -18.3856 -18.2354 -18.2354 -18.1643 -18.1643 -3.4501 -3.4501 -3.1297 -3.1297 -2.6044 -2.6044 -1.7689 -1.7689 -1.6218 -1.6218 -1.3829 -1.3829 -1.2560 -1.2560 -1.0425 -1.0425 -0.8153 -0.8153 -0.0486 -0.0486 0.3274 0.3274 0.5333 0.5333 0.9520 0.9520 1.0945 1.0945 1.3140 1.3140 1.3774 1.3774 1.4493 1.4493 1.5176 1.5176 3.4237 3.4237 3.6282 3.6282 4.0833 4.0833 4.2488 4.2488 4.3719 4.3719 4.5555 4.5555 5.3534 5.3534 5.4259 5.4259 7.3794 7.3794 7.6164 7.6164 12.9721 12.9721 13.2051 13.2051 15.4933 15.4933 k = 0.5000-0.2039-0.4646 ( 3850 PWs) bands (ev): -18.8027 -18.8027 -18.6224 -18.6224 -18.4959 -18.4959 -18.3793 -18.3793 -18.2374 -18.2374 -18.1677 -18.1677 -3.4738 -3.4738 -3.1334 -3.1334 -2.6058 -2.6058 -1.7616 -1.7616 -1.6204 -1.6204 -1.3750 -1.3750 -1.2536 -1.2536 -1.0258 -1.0258 -0.7968 -0.7968 -0.0281 -0.0281 0.3497 0.3497 0.5485 0.5485 0.9262 0.9262 1.0756 1.0756 1.3007 1.3007 1.3652 1.3652 1.4485 1.4485 1.5108 1.5108 3.4197 3.4197 3.6183 3.6183 4.0721 4.0721 4.2458 4.2458 4.3784 4.3784 4.5627 4.5627 5.3444 5.3444 5.4176 5.4176 7.3839 7.3839 7.6246 7.6246 13.0138 13.0138 13.2500 13.2500 15.4205 15.4205 k = 0.5000-0.1944-0.4785 ( 3850 PWs) bands (ev): -18.7992 -18.7992 -18.6280 -18.6280 -18.4944 -18.4944 -18.3733 -18.3733 -18.2394 -18.2394 -18.1711 -18.1711 -3.4968 -3.4968 -3.1373 -3.1373 -2.6072 -2.6072 -1.7561 -1.7561 -1.6196 -1.6196 -1.3672 -1.3672 -1.2489 -1.2489 -1.0079 -1.0079 -0.7782 -0.7782 -0.0072 -0.0072 0.3715 0.3715 0.5628 0.5628 0.9017 0.9017 1.0576 1.0576 1.2860 1.2860 1.3519 1.3519 1.4473 1.4473 1.5041 1.5041 3.4152 3.4152 3.6088 3.6088 4.0613 4.0613 4.2426 4.2426 4.3846 4.3846 4.5692 4.5692 5.3358 5.3358 5.4098 5.4098 7.3882 7.3882 7.6324 7.6324 13.0578 13.0578 13.2970 13.2970 15.3457 15.3457 k = 0.5000-0.1850-0.4924 ( 3854 PWs) bands (ev): -18.7957 -18.7957 -18.6334 -18.6334 -18.4928 -18.4928 -18.3677 -18.3677 -18.2413 -18.2413 -18.1745 -18.1745 -3.5189 -3.5189 -3.1412 -3.1412 -2.6086 -2.6086 -1.7522 -1.7522 -1.6194 -1.6194 -1.3597 -1.3597 -1.2420 -1.2420 -0.9890 -0.9890 -0.7597 -0.7597 0.0141 0.0141 0.3925 0.3925 0.5755 0.5755 0.8793 0.8793 1.0405 1.0405 1.2701 1.2701 1.3377 1.3377 1.4460 1.4460 1.4976 1.4976 3.4101 3.4101 3.5999 3.5999 4.0509 4.0509 4.2394 4.2394 4.3906 4.3906 4.5750 4.5750 5.3277 5.3277 5.4027 5.4027 7.3922 7.3922 7.6399 7.6399 13.1038 13.1038 13.3459 13.3459 15.2697 15.2697 k = 0.5000-0.1755-0.5064 ( 3842 PWs) bands (ev): -18.7924 -18.7924 -18.6386 -18.6386 -18.4911 -18.4911 -18.3624 -18.3624 -18.2431 -18.2431 -18.1778 -18.1778 -3.5400 -3.5400 -3.1451 -3.1451 -2.6099 -2.6099 -1.7496 -1.7496 -1.6199 -1.6199 -1.3525 -1.3525 -1.2332 -1.2332 -0.9693 -0.9693 -0.7416 -0.7416 0.0358 0.0358 0.4123 0.4123 0.5857 0.5857 0.8604 0.8604 1.0245 1.0245 1.2528 1.2528 1.3225 1.3225 1.4444 1.4444 1.4913 1.4913 3.4045 3.4045 3.5918 3.5918 4.0411 4.0411 4.2361 4.2361 4.3963 4.3963 4.5801 4.5801 5.3202 5.3202 5.3963 5.3963 7.3959 7.3959 7.6468 7.6468 13.1517 13.1517 13.3964 13.3964 15.1931 15.1931 k = 0.5000-0.1660-0.5203 ( 3848 PWs) bands (ev): -18.7891 -18.7891 -18.6435 -18.6435 -18.4894 -18.4894 -18.3577 -18.3577 -18.2447 -18.2447 -18.1812 -18.1812 -3.5601 -3.5601 -3.1491 -3.1491 -2.6113 -2.6113 -1.7482 -1.7482 -1.6209 -1.6209 -1.3457 -1.3457 -1.2227 -1.2227 -0.9492 -0.9492 -0.7239 -0.7239 0.0580 0.0580 0.4301 0.4301 0.5924 0.5924 0.8461 0.8461 1.0099 1.0099 1.2342 1.2342 1.3066 1.3066 1.4425 1.4425 1.4851 1.4851 3.3985 3.3985 3.5844 3.5844 4.0319 4.0319 4.2328 4.2328 4.4017 4.4017 4.5846 4.5846 5.3133 5.3133 5.3907 5.3907 7.3993 7.3993 7.6532 7.6532 13.2012 13.2012 13.4484 13.4484 15.1166 15.1166 k = 0.5000-0.1566-0.5342 ( 3854 PWs) bands (ev): -18.7860 -18.7860 -18.6481 -18.6481 -18.4876 -18.4876 -18.3534 -18.3534 -18.2460 -18.2460 -18.1844 -18.1844 -3.5788 -3.5788 -3.1531 -3.1531 -2.6125 -2.6125 -1.7478 -1.7478 -1.6225 -1.6225 -1.3392 -1.3392 -1.2110 -1.2110 -0.9289 -0.9289 -0.7068 -0.7068 0.0807 0.0807 0.4455 0.4455 0.5947 0.5947 0.8376 0.8376 0.9967 0.9967 1.2145 1.2145 1.2901 1.2901 1.4403 1.4403 1.4791 1.4791 3.3922 3.3922 3.5778 3.5778 4.0234 4.0234 4.2295 4.2295 4.4068 4.4068 4.5886 4.5886 5.3070 5.3070 5.3857 5.3857 7.4022 7.4022 7.6590 7.6590 13.2518 13.2518 13.5015 13.5015 15.0408 15.0408 k = 0.5000-0.1471-0.5481 ( 3856 PWs) bands (ev): -18.7832 -18.7832 -18.6525 -18.6525 -18.4857 -18.4857 -18.3497 -18.3497 -18.2469 -18.2469 -18.1875 -18.1875 -3.5963 -3.5963 -3.1571 -3.1571 -2.6136 -2.6136 -1.7479 -1.7479 -1.6245 -1.6245 -1.3331 -1.3331 -1.1982 -1.1982 -0.9086 -0.9086 -0.6905 -0.6905 0.1040 0.1040 0.4577 0.4577 0.5927 0.5927 0.8352 0.8352 0.9852 0.9852 1.1937 1.1937 1.2732 1.2732 1.4380 1.4380 1.4733 1.4733 3.3858 3.3858 3.5720 3.5720 4.0156 4.0156 4.2262 4.2262 4.4115 4.4115 4.5920 4.5920 5.3013 5.3013 5.3815 5.3815 7.4048 7.4048 7.6641 7.6641 13.3032 13.3032 13.5554 13.5554 14.9666 14.9666 k = 0.5000-0.1376-0.5620 ( 3850 PWs) bands (ev): -18.7805 -18.7805 -18.6565 -18.6565 -18.4839 -18.4839 -18.3466 -18.3466 -18.2475 -18.2475 -18.1906 -18.1906 -3.6123 -3.6123 -3.1610 -3.1610 -2.6146 -2.6146 -1.7485 -1.7485 -1.6268 -1.6268 -1.3276 -1.3276 -1.1847 -1.1847 -0.8888 -0.8888 -0.6750 -0.6750 0.1279 0.1279 0.4659 0.4659 0.5874 0.5874 0.8385 0.8385 0.9755 0.9755 1.1721 1.1721 1.2562 1.2562 1.4354 1.4354 1.4677 1.4677 3.3793 3.3793 3.5672 3.5672 4.0086 4.0086 4.2232 4.2232 4.4159 4.4159 4.5950 4.5950 5.2963 5.2963 5.3781 5.3781 7.4070 7.4070 7.6684 7.6684 13.3545 13.3545 13.6097 13.6097 14.8947 14.8947 k = 0.5000-0.1281-0.5760 ( 3852 PWs) bands (ev): -18.7782 -18.7782 -18.6602 -18.6602 -18.4820 -18.4820 -18.3441 -18.3441 -18.2476 -18.2476 -18.1934 -18.1934 -3.6269 -3.6269 -3.1649 -3.1649 -2.6154 -2.6154 -1.7494 -1.7494 -1.6294 -1.6294 -1.3230 -1.3230 -1.1706 -1.1706 -0.8698 -0.8698 -0.6605 -0.6605 0.1523 0.1523 0.4693 0.4693 0.5804 0.5804 0.8461 0.8461 0.9675 0.9675 1.1499 1.1499 1.2393 1.2393 1.4327 1.4327 1.4624 1.4624 3.3729 3.3729 3.5632 3.5632 4.0025 4.0025 4.2203 4.2203 4.4199 4.4199 4.5976 4.5976 5.2919 5.2919 5.3752 5.3752 7.4088 7.4088 7.6720 7.6720 13.4049 13.4049 13.6638 13.6638 14.8261 14.8261 k = 0.5000-0.1187-0.5899 ( 3864 PWs) bands (ev): -18.7762 -18.7762 -18.6636 -18.6636 -18.4802 -18.4802 -18.3421 -18.3421 -18.2473 -18.2473 -18.1961 -18.1961 -3.6399 -3.6399 -3.1687 -3.1687 -2.6159 -2.6159 -1.7503 -1.7503 -1.6320 -1.6320 -1.3193 -1.3193 -1.1563 -1.1563 -0.8517 -0.8517 -0.6471 -0.6471 0.1773 0.1773 0.4675 0.4675 0.5735 0.5735 0.8565 0.8565 0.9610 0.9610 1.1276 1.1276 1.2228 1.2228 1.4299 1.4299 1.4573 1.4573 3.3668 3.3668 3.5601 3.5601 3.9974 3.9974 4.2177 4.2177 4.4234 4.4234 4.5997 4.5997 5.2881 5.2881 5.3730 5.3730 7.4102 7.4102 7.6748 7.6748 13.4531 13.4531 13.7170 13.7170 14.7623 14.7623 k = 0.5000-0.1092-0.6038 ( 3860 PWs) bands (ev): -18.7746 -18.7746 -18.6667 -18.6667 -18.4784 -18.4784 -18.3407 -18.3407 -18.2467 -18.2467 -18.1984 -18.1984 -3.6514 -3.6514 -3.1724 -3.1724 -2.6163 -2.6163 -1.7511 -1.7511 -1.6345 -1.6345 -1.3167 -1.3167 -1.1419 -1.1419 -0.8347 -0.8347 -0.6349 -0.6349 0.2028 0.2028 0.4610 0.4610 0.5672 0.5672 0.8681 0.8681 0.9555 0.9555 1.1057 1.1057 1.2071 1.2071 1.4271 1.4271 1.4525 1.4525 3.3612 3.3612 3.5580 3.5580 3.9932 3.9932 4.2155 4.2155 4.4266 4.4266 4.6016 4.6016 5.2850 5.2850 5.3714 5.3714 7.4111 7.4111 7.6768 7.6768 13.4976 13.4976 13.7684 13.7684 14.7047 14.7047 k = 0.5000-0.0997-0.6177 ( 3864 PWs) bands (ev): -18.7734 -18.7734 -18.6695 -18.6695 -18.4767 -18.4767 -18.3396 -18.3396 -18.2459 -18.2459 -18.2004 -18.2004 -3.6612 -3.6612 -3.1759 -3.1759 -2.6164 -2.6164 -1.7517 -1.7517 -1.6368 -1.6368 -1.3152 -1.3152 -1.1279 -1.1279 -0.8192 -0.8192 -0.6239 -0.6239 0.2287 0.2287 0.4510 0.4510 0.5615 0.5615 0.8794 0.8794 0.9503 0.9503 1.0852 1.0852 1.1927 1.1927 1.4244 1.4244 1.4480 1.4480 3.3563 3.3563 3.5567 3.5567 3.9902 3.9902 4.2138 4.2138 4.4293 4.4293 4.6031 4.6031 5.2824 5.2824 5.3704 5.3704 7.4116 7.4116 7.6779 7.6779 13.5362 13.5362 13.8166 13.8166 14.6553 14.6553 k = 0.5000-0.0902-0.6316 ( 3860 PWs) bands (ev): -18.7727 -18.7727 -18.6719 -18.6719 -18.4752 -18.4752 -18.3389 -18.3389 -18.2449 -18.2449 -18.2019 -18.2019 -3.6693 -3.6693 -3.1793 -3.1793 -2.6162 -2.6162 -1.7520 -1.7520 -1.6389 -1.6389 -1.3150 -1.3150 -1.1146 -1.1146 -0.8052 -0.8052 -0.6142 -0.6142 0.2548 0.2548 0.4392 0.4392 0.5558 0.5558 0.8889 0.8889 0.9442 0.9442 1.0675 1.0675 1.1802 1.1802 1.4219 1.4219 1.4439 1.4439 3.3522 3.3522 3.5563 3.5563 3.9882 3.9882 4.2125 4.2125 4.4316 4.4316 4.6044 4.6044 5.2803 5.2803 5.3698 5.3698 7.4118 7.4118 7.6782 7.6782 13.5664 13.5664 13.8602 13.8602 14.6163 14.6163 k = 0.5000-0.0808-0.6455 ( 3864 PWs) bands (ev): -18.7723 -18.7723 -18.6740 -18.6740 -18.4737 -18.4737 -18.3385 -18.3385 -18.2441 -18.2441 -18.2028 -18.2028 -3.6757 -3.6757 -3.1825 -3.1825 -2.6156 -2.6156 -1.7519 -1.7519 -1.6407 -1.6407 -1.3160 -1.3160 -1.1024 -1.1024 -0.7930 -0.7930 -0.6058 -0.6058 0.2806 0.2806 0.4271 0.4271 0.5495 0.5495 0.8942 0.8942 0.9365 0.9365 1.0544 1.0544 1.1701 1.1701 1.4196 1.4196 1.4401 1.4401 3.3491 3.3491 3.5567 3.5567 3.9874 3.9874 4.2117 4.2117 4.4335 4.4335 4.6054 4.6054 5.2788 5.2788 5.3696 5.3696 7.4116 7.4116 7.6776 7.6776 13.5854 13.5854 13.8969 13.8969 14.5898 14.5898 k = 0.5000-0.0713-0.6595 ( 3864 PWs) bands (ev): -18.7725 -18.7725 -18.6758 -18.6758 -18.4725 -18.4725 -18.3382 -18.3382 -18.2435 -18.2435 -18.2030 -18.2030 -3.6804 -3.6804 -3.1855 -3.1855 -2.6148 -2.6148 -1.7513 -1.7513 -1.6420 -1.6420 -1.3182 -1.3182 -1.0916 -1.0916 -0.7826 -0.7826 -0.5986 -0.5986 0.3053 0.3053 0.4163 0.4163 0.5425 0.5425 0.8923 0.8923 0.9277 0.9277 1.0475 1.0475 1.1631 1.1631 1.4175 1.4175 1.4370 1.4370 3.3470 3.3470 3.5580 3.5580 3.9877 3.9877 4.2115 4.2115 4.4349 4.4349 4.6061 4.6061 5.2778 5.2778 5.3698 5.3698 7.4110 7.4110 7.6762 7.6762 13.5910 13.5910 13.9244 13.9244 14.5774 14.5774 k = 0.7684 0.0672-0.3083 ( 3864 PWs) bands (ev): -18.7724 -18.7724 -18.6759 -18.6759 -18.4723 -18.4723 -18.3382 -18.3382 -18.2436 -18.2436 -18.2029 -18.2029 -3.6805 -3.6805 -3.1854 -3.1854 -2.6147 -2.6147 -1.7513 -1.7513 -1.6420 -1.6420 -1.3181 -1.3181 -1.0917 -1.0917 -0.7827 -0.7827 -0.5987 -0.5987 0.3052 0.3052 0.4163 0.4163 0.5425 0.5425 0.8923 0.8923 0.9278 0.9278 1.0475 1.0475 1.1630 1.1630 1.4177 1.4177 1.4370 1.4370 3.3471 3.3471 3.5581 3.5581 3.9877 3.9877 4.2115 4.2115 4.4349 4.4349 4.6061 4.6061 5.2778 5.2778 5.3698 5.3698 7.4109 7.4109 7.6763 7.6763 13.5910 13.5910 13.9243 13.9243 14.5774 14.5774 k = 0.7607 0.0726-0.2944 ( 3864 PWs) bands (ev): -18.7730 -18.7730 -18.6774 -18.6774 -18.4712 -18.4712 -18.3381 -18.3381 -18.2434 -18.2434 -18.2023 -18.2023 -3.6835 -3.6835 -3.1882 -3.1882 -2.6135 -2.6135 -1.7503 -1.7503 -1.6428 -1.6428 -1.3214 -1.3214 -1.0827 -1.0827 -0.7743 -0.7743 -0.5929 -0.5929 0.3267 0.3267 0.4092 0.4092 0.5350 0.5350 0.8811 0.8811 0.9193 0.9193 1.0471 1.0471 1.1592 1.1592 1.4158 1.4158 1.4345 1.4345 3.3463 3.3463 3.5601 3.5601 3.9892 3.9892 4.2119 4.2119 4.4358 4.4358 4.6066 4.6066 5.2773 5.2773 5.3703 5.3703 7.4100 7.4100 7.6740 7.6740 13.5822 13.5822 13.9395 13.9395 14.5801 14.5801 k = 0.7531 0.0781-0.2806 ( 3864 PWs) bands (ev): -18.7741 -18.7741 -18.6785 -18.6785 -18.4703 -18.4703 -18.3380 -18.3380 -18.2435 -18.2435 -18.2010 -18.2010 -3.6847 -3.6847 -3.1908 -3.1908 -2.6119 -2.6119 -1.7487 -1.7487 -1.6432 -1.6432 -1.3259 -1.3259 -1.0756 -1.0756 -0.7681 -0.7681 -0.5883 -0.5883 0.3410 0.3410 0.4096 0.4096 0.5272 0.5272 0.8625 0.8625 0.9103 0.9103 1.0519 1.0519 1.1586 1.1586 1.4139 1.4139 1.4331 1.4331 3.3469 3.3469 3.5630 3.5630 3.9919 3.9919 4.2129 4.2129 4.4363 4.4363 4.6069 4.6069 5.2773 5.2773 5.3712 5.3712 7.4088 7.4088 7.6709 7.6709 13.5595 13.5595 13.9404 13.9404 14.5977 14.5977 k = 0.7454 0.0836-0.2668 ( 3860 PWs) bands (ev): -18.7756 -18.7756 -18.6793 -18.6793 -18.4696 -18.4696 -18.3381 -18.3381 -18.2437 -18.2437 -18.1990 -18.1990 -3.6843 -3.6843 -3.1931 -3.1931 -2.6099 -2.6099 -1.7465 -1.7465 -1.6431 -1.6431 -1.3314 -1.3314 -1.0705 -1.0705 -0.7642 -0.7642 -0.5850 -0.5850 0.3450 0.3450 0.4203 0.4203 0.5198 0.5198 0.8398 0.8398 0.8993 0.8993 1.0605 1.0605 1.1609 1.1609 1.4119 1.4119 1.4327 1.4327 3.3489 3.3489 3.5666 3.5666 3.9957 3.9957 4.2146 4.2146 4.4364 4.4364 4.6069 4.6069 5.2777 5.2777 5.3723 5.3723 7.4073 7.4073 7.6670 7.6670 13.5245 13.5245 13.9262 13.9262 14.6299 14.6299 k = 0.7377 0.0890-0.2530 ( 3858 PWs) bands (ev): -18.7775 -18.7775 -18.6798 -18.6798 -18.4691 -18.4691 -18.3383 -18.3383 -18.2441 -18.2441 -18.1964 -18.1964 -3.6821 -3.6821 -3.1952 -3.1952 -2.6075 -2.6075 -1.7438 -1.7438 -1.6424 -1.6424 -1.3380 -1.3380 -1.0675 -1.0675 -0.7626 -0.7626 -0.5831 -0.5831 0.3416 0.3416 0.4368 0.4368 0.5138 0.5138 0.8153 0.8153 0.8864 0.8864 1.0712 1.0712 1.1655 1.1655 1.4098 1.4098 1.4336 1.4336 3.3524 3.3524 3.5708 3.5708 4.0006 4.0006 4.2168 4.2168 4.4360 4.4360 4.6067 4.6067 5.2786 5.2786 5.3737 5.3737 7.4056 7.4056 7.6623 7.6623 13.4794 13.4794 13.8980 13.8980 14.6752 14.6752 k = 0.7301 0.0945-0.2391 ( 3862 PWs) bands (ev): -18.7799 -18.7799 -18.6800 -18.6800 -18.4687 -18.4687 -18.3388 -18.3388 -18.2443 -18.2443 -18.1935 -18.1935 -3.6783 -3.6783 -3.1971 -3.1971 -2.6046 -2.6046 -1.7406 -1.7406 -1.6413 -1.6413 -1.3454 -1.3454 -1.0664 -1.0664 -0.7637 -0.7637 -0.5827 -0.5827 0.3353 0.3353 0.4517 0.4517 0.5118 0.5118 0.7905 0.7905 0.8722 0.8722 1.0831 1.0831 1.1720 1.1720 1.4077 1.4077 1.4356 1.4356 3.3574 3.3574 3.5757 3.5757 4.0066 4.0066 4.2196 4.2196 4.4352 4.4352 4.6063 4.6063 5.2800 5.2800 5.3752 5.3752 7.4038 7.4038 7.6569 7.6569 13.4266 13.4266 13.8581 13.8581 14.7319 14.7319 k = 0.7224 0.0999-0.2253 ( 3862 PWs) bands (ev): -18.7826 -18.7826 -18.6800 -18.6800 -18.4685 -18.4685 -18.3396 -18.3396 -18.2443 -18.2443 -18.1901 -18.1901 -3.6728 -3.6728 -3.1988 -3.1988 -2.6013 -2.6013 -1.7369 -1.7369 -1.6396 -1.6396 -1.3537 -1.3537 -1.0672 -1.0672 -0.7673 -0.7673 -0.5839 -0.5839 0.3279 0.3279 0.4586 0.4586 0.5173 0.5173 0.7669 0.7669 0.8577 0.8577 1.0953 1.0953 1.1801 1.1801 1.4057 1.4057 1.4385 1.4385 3.3640 3.3640 3.5811 3.5811 4.0135 4.0135 4.2230 4.2230 4.4339 4.4339 4.6057 4.6057 5.2818 5.2818 5.3770 5.3770 7.4017 7.4017 7.6507 7.6507 13.3682 13.3682 13.8093 13.8093 14.7981 14.7981 k = 0.7147 0.1054-0.2115 ( 3860 PWs) bands (ev): -18.7857 -18.7857 -18.6796 -18.6796 -18.4684 -18.4684 -18.3408 -18.3408 -18.2439 -18.2439 -18.1866 -18.1866 -3.6656 -3.6656 -3.2003 -3.2003 -2.5974 -2.5974 -1.7326 -1.7326 -1.6374 -1.6374 -1.3627 -1.3627 -1.0696 -1.0696 -0.7735 -0.7735 -0.5870 -0.5870 0.3199 0.3199 0.4569 0.4569 0.5287 0.5287 0.7462 0.7462 0.8436 0.8436 1.1073 1.1073 1.1896 1.1896 1.4038 1.4038 1.4424 1.4424 3.3720 3.3720 3.5871 3.5871 4.0215 4.0215 4.2269 4.2269 4.4322 4.4322 4.6048 4.6048 5.2841 5.2841 5.3790 5.3790 7.3996 7.3996 7.6438 7.6438 13.3057 13.3057 13.7541 13.7541 14.8717 14.8717 k = 0.7070 0.1108-0.1977 ( 3862 PWs) bands (ev): -18.7891 -18.7891 -18.6790 -18.6790 -18.4684 -18.4684 -18.3425 -18.3425 -18.2431 -18.2431 -18.1829 -18.1829 -3.6569 -3.6569 -3.2016 -3.2016 -2.5931 -2.5931 -1.7280 -1.7280 -1.6348 -1.6348 -1.3722 -1.3722 -1.0735 -1.0735 -0.7822 -0.7822 -0.5921 -0.5921 0.3114 0.3114 0.4504 0.4504 0.5395 0.5395 0.7308 0.7308 0.8309 0.8309 1.1188 1.1188 1.2002 1.2002 1.4023 1.4023 1.4468 1.4468 3.3815 3.3815 3.5935 3.5935 4.0303 4.0303 4.2312 4.2312 4.4301 4.4301 4.6037 4.6037 5.2869 5.2869 5.3813 5.3813 7.3975 7.3975 7.6362 7.6362 13.2405 13.2405 13.6944 13.6944 14.9514 14.9514 k = 0.6994 0.1163-0.1838 ( 3860 PWs) bands (ev): -18.7929 -18.7929 -18.6781 -18.6781 -18.4684 -18.4684 -18.3447 -18.3447 -18.2417 -18.2417 -18.1791 -18.1791 -3.6465 -3.6465 -3.2028 -3.2028 -2.5883 -2.5883 -1.7231 -1.7231 -1.6317 -1.6317 -1.3821 -1.3821 -1.0786 -1.0786 -0.7934 -0.7934 -0.5995 -0.5995 0.3022 0.3022 0.4414 0.4414 0.5443 0.5443 0.7233 0.7233 0.8202 0.8202 1.1296 1.1296 1.2119 1.2119 1.4013 1.4013 1.4518 1.4518 3.3924 3.3924 3.6003 3.6003 4.0399 4.0399 4.2360 4.2360 4.4275 4.4275 4.6024 4.6024 5.2902 5.2902 5.3837 5.3837 7.3953 7.3953 7.6280 7.6280 13.1736 13.1736 13.6315 13.6315 15.0357 15.0357 k = 0.6917 0.1217-0.1700 ( 3862 PWs) bands (ev): -18.7969 -18.7969 -18.6770 -18.6770 -18.4685 -18.4685 -18.3474 -18.3474 -18.2398 -18.2398 -18.1752 -18.1752 -3.6347 -3.6347 -3.2037 -3.2037 -2.5829 -2.5829 -1.7179 -1.7179 -1.6281 -1.6281 -1.3923 -1.3923 -1.0848 -1.0848 -0.8067 -0.8067 -0.6092 -0.6092 0.2924 0.2924 0.4307 0.4307 0.5403 0.5403 0.7255 0.7255 0.8126 0.8126 1.1397 1.1397 1.2245 1.2245 1.4008 1.4008 1.4571 1.4571 3.4046 3.4046 3.6074 3.6074 4.0503 4.0503 4.2410 4.2410 4.4246 4.4246 4.6007 4.6007 5.2940 5.2940 5.3864 5.3864 7.3931 7.3931 7.6191 7.6191 13.1057 13.1057 13.5667 13.5667 15.1239 15.1239 k = 0.6840 0.1272-0.1562 ( 3872 PWs) bands (ev): -18.8011 -18.8011 -18.6756 -18.6756 -18.4687 -18.4687 -18.3507 -18.3507 -18.2374 -18.2374 -18.1713 -18.1713 -3.6214 -3.6214 -3.2045 -3.2045 -2.5771 -2.5771 -1.7128 -1.7128 -1.6242 -1.6242 -1.4025 -1.4025 -1.0919 -1.0919 -0.8222 -0.8222 -0.6213 -0.6213 0.2817 0.2817 0.4182 0.4182 0.5282 0.5282 0.7357 0.7357 0.8086 0.8086 1.1492 1.1492 1.2377 1.2377 1.4009 1.4009 1.4627 1.4627 3.4180 3.4180 3.6147 3.6147 4.0612 4.0612 4.2463 4.2463 4.4212 4.4212 4.5988 4.5988 5.2983 5.2983 5.3893 5.3893 7.3910 7.3910 7.6097 7.6097 13.0376 13.0376 13.5007 13.5007 15.2151 15.2151 k = 0.6764 0.1326-0.1424 ( 3876 PWs) bands (ev): -18.8055 -18.8055 -18.6739 -18.6739 -18.4688 -18.4688 -18.3546 -18.3546 -18.2345 -18.2345 -18.1674 -18.1674 -3.6068 -3.6068 -3.2052 -3.2052 -2.5706 -2.5706 -1.7078 -1.7078 -1.6198 -1.6198 -1.4125 -1.4125 -1.0996 -1.0996 -0.8395 -0.8395 -0.6359 -0.6359 0.2701 0.2701 0.4040 0.4040 0.5106 0.5106 0.7506 0.7506 0.8092 0.8092 1.1584 1.1584 1.2514 1.2514 1.4018 1.4018 1.4683 1.4683 3.4325 3.4325 3.6222 3.6222 4.0727 4.0727 4.2518 4.2518 4.4176 4.4176 4.5966 4.5966 5.3032 5.3032 5.3924 5.3924 7.3890 7.3890 7.5998 7.5998 12.9696 12.9696 13.4341 13.4341 15.3088 15.3088 k = 0.6687 0.1381-0.1285 ( 3872 PWs) bands (ev): -18.8101 -18.8101 -18.6719 -18.6719 -18.4689 -18.4689 -18.3589 -18.3589 -18.2313 -18.2313 -18.1636 -18.1636 -3.5908 -3.5908 -3.2058 -3.2058 -2.5637 -2.5637 -1.7032 -1.7032 -1.6149 -1.6149 -1.4220 -1.4220 -1.1080 -1.1080 -0.8585 -0.8585 -0.6528 -0.6528 0.2576 0.2576 0.3882 0.3882 0.4899 0.4899 0.7663 0.7663 0.8158 0.8158 1.1674 1.1674 1.2655 1.2655 1.4035 1.4035 1.4739 1.4739 3.4480 3.4480 3.6297 3.6297 4.0845 4.0845 4.2574 4.2574 4.4136 4.4136 4.5941 4.5941 5.3086 5.3086 5.3958 5.3958 7.3872 7.3872 7.5894 7.5894 12.9022 12.9022 13.3676 13.3676 15.4045 15.4045 k = 0.6610 0.1435-0.1147 ( 3862 PWs) bands (ev): -18.8147 -18.8147 -18.6697 -18.6697 -18.4690 -18.4690 -18.3636 -18.3636 -18.2277 -18.2277 -18.1597 -18.1597 -3.5736 -3.5736 -3.2062 -3.2062 -2.5563 -2.5563 -1.6992 -1.6992 -1.6096 -1.6096 -1.4308 -1.4308 -1.1167 -1.1167 -0.8790 -0.8790 -0.6719 -0.6719 0.2442 0.2442 0.3710 0.3710 0.4675 0.4675 0.7801 0.7801 0.8290 0.8290 1.1763 1.1763 1.2798 1.2798 1.4060 1.4060 1.4795 1.4795 3.4642 3.4642 3.6373 3.6373 4.0968 4.0968 4.2630 4.2630 4.4093 4.4093 4.5912 4.5912 5.3147 5.3147 5.3995 5.3995 7.3856 7.3856 7.5786 7.5786 12.8358 12.8358 13.3014 13.3014 15.5016 15.5016 k = 0.6534 0.1490-0.1009 ( 3864 PWs) bands (ev): -18.8195 -18.8195 -18.6672 -18.6672 -18.4691 -18.4691 -18.3688 -18.3688 -18.2239 -18.2239 -18.1559 -18.1559 -3.5553 -3.5553 -3.2066 -3.2066 -2.5484 -2.5484 -1.6960 -1.6960 -1.6037 -1.6037 -1.4387 -1.4387 -1.1257 -1.1257 -0.9006 -0.9006 -0.6930 -0.6930 0.2300 0.2300 0.3527 0.3527 0.4443 0.4443 0.7914 0.7914 0.8478 0.8478 1.1855 1.1855 1.2941 1.2941 1.4094 1.4094 1.4849 1.4849 3.4811 3.4811 3.6447 3.6447 4.1092 4.1092 4.2684 4.2684 4.4049 4.4049 4.5880 4.5880 5.3212 5.3212 5.4035 5.4035 7.3842 7.3842 7.5675 7.5675 12.7707 12.7707 13.2360 13.2360 15.5999 15.5999 k = 0.6457 0.1544-0.0871 ( 3856 PWs) bands (ev): -18.8243 -18.8243 -18.6645 -18.6645 -18.4691 -18.4691 -18.3742 -18.3742 -18.2200 -18.2200 -18.1521 -18.1521 -3.5360 -3.5360 -3.2069 -3.2069 -2.5400 -2.5400 -1.6941 -1.6941 -1.5973 -1.5973 -1.4455 -1.4455 -1.1350 -1.1350 -0.9233 -0.9233 -0.7159 -0.7159 0.2148 0.2148 0.3340 0.3340 0.4208 0.4208 0.8015 0.8015 0.8695 0.8695 1.1952 1.1952 1.3084 1.3084 1.4136 1.4136 1.4901 1.4901 3.4984 3.4984 3.6520 3.6520 4.1218 4.1218 4.2737 4.2737 4.4003 4.4003 4.5844 4.5844 5.3283 5.3283 5.4077 5.4077 7.3830 7.3830 7.5561 7.5561 12.7072 12.7072 13.1716 13.1716 15.6989 15.6989 k = 0.6380 0.1599-0.0732 ( 3856 PWs) bands (ev): -18.8291 -18.8291 -18.6616 -18.6616 -18.4691 -18.4691 -18.3800 -18.3800 -18.2160 -18.2160 -18.1484 -18.1484 -3.5158 -3.5158 -3.2071 -3.2071 -2.5312 -2.5312 -1.6934 -1.6934 -1.5904 -1.5904 -1.4511 -1.4511 -1.1444 -1.1444 -0.9466 -0.9466 -0.7404 -0.7404 0.1988 0.1988 0.3153 0.3153 0.3974 0.3974 0.8113 0.8113 0.8920 0.8920 1.2057 1.2057 1.3227 1.3227 1.4188 1.4188 1.4951 1.4951 3.5161 3.5161 3.6591 3.6591 4.1344 4.1344 4.2788 4.2788 4.3956 4.3956 4.5804 4.5804 5.3359 5.3359 5.4121 5.4121 7.3821 7.3821 7.5444 7.5444 12.6455 12.6455 13.1087 13.1087 15.7984 15.7984 k = 0.6304 0.1653-0.0594 ( 3854 PWs) bands (ev): -18.8338 -18.8338 -18.6585 -18.6585 -18.4691 -18.4691 -18.3859 -18.3859 -18.2120 -18.2120 -18.1447 -18.1447 -3.4948 -3.4948 -3.2073 -3.2073 -2.5221 -2.5221 -1.6940 -1.6940 -1.5829 -1.5829 -1.4554 -1.4554 -1.1538 -1.1538 -0.9704 -0.9704 -0.7661 -0.7661 0.1818 0.1818 0.2970 0.2970 0.3744 0.3744 0.8210 0.8210 0.9143 0.9143 1.2172 1.2172 1.3367 1.3367 1.4248 1.4248 1.4998 1.4998 3.5340 3.5340 3.6660 3.6660 4.1470 4.1470 4.2834 4.2834 4.3909 4.3909 4.5760 4.5760 5.3439 5.3439 5.4168 5.4168 7.3814 7.3814 7.5326 7.5326 12.5858 12.5858 13.0473 13.0473 15.8978 15.8978 k = 0.6227 0.1708-0.0456 ( 3854 PWs) bands (ev): -18.8385 -18.8385 -18.6551 -18.6551 -18.4690 -18.4690 -18.3921 -18.3921 -18.2080 -18.2080 -18.1411 -18.1411 -3.4733 -3.4733 -3.2074 -3.2074 -2.5127 -2.5127 -1.6961 -1.6961 -1.5749 -1.5749 -1.4586 -1.4586 -1.1632 -1.1632 -0.9944 -0.9944 -0.7927 -0.7927 0.1640 0.1640 0.2797 0.2797 0.3519 0.3519 0.8304 0.8304 0.9352 0.9352 1.2300 1.2300 1.3505 1.3505 1.4315 1.4315 1.5043 1.5043 3.5518 3.5518 3.6724 3.6724 4.1595 4.1595 4.2876 4.2876 4.3864 4.3864 4.5711 4.5711 5.3524 5.3524 5.4218 5.4218 7.3810 7.3810 7.5207 7.5207 12.5284 12.5284 12.9879 12.9879 15.9969 15.9969 k = 0.6150 0.1762-0.0318 ( 3850 PWs) bands (ev): -18.8431 -18.8431 -18.6516 -18.6516 -18.4690 -18.4690 -18.3983 -18.3983 -18.2041 -18.2041 -18.1377 -18.1377 -3.4514 -3.4514 -3.2075 -3.2075 -2.5030 -2.5030 -1.6993 -1.6993 -1.5666 -1.5666 -1.4608 -1.4608 -1.1724 -1.1724 -1.0182 -1.0182 -0.8199 -0.8199 0.1453 0.1453 0.2635 0.2635 0.3301 0.3301 0.8395 0.8395 0.9543 0.9543 1.2443 1.2443 1.3640 1.3640 1.4389 1.4389 1.5084 1.5084 3.5694 3.5694 3.6786 3.6786 4.1719 4.1719 4.2912 4.2912 4.3822 4.3822 4.5658 4.5658 5.3612 5.3612 5.4269 5.4269 7.3809 7.3809 7.5089 7.5089 12.4734 12.4734 12.9306 12.9306 16.0954 16.0954 k = 0.6074 0.1817-0.0179 ( 3850 PWs) bands (ev): -18.8475 -18.8475 -18.6479 -18.6479 -18.4689 -18.4689 -18.4047 -18.4047 -18.2004 -18.2004 -18.1343 -18.1343 -3.4292 -3.4292 -3.2074 -3.2074 -2.4932 -2.4932 -1.7036 -1.7036 -1.5581 -1.5581 -1.4622 -1.4622 -1.1813 -1.1813 -1.0418 -1.0418 -0.8473 -0.8473 0.1261 0.1261 0.2486 0.2486 0.3092 0.3092 0.8480 0.8480 0.9711 0.9711 1.2602 1.2602 1.3770 1.3770 1.4468 1.4468 1.5122 1.5122 3.5867 3.5867 3.6844 3.6844 4.1840 4.1840 4.2941 4.2941 4.3784 4.3784 4.5599 4.5599 5.3703 5.3703 5.4322 5.4322 7.3810 7.3810 7.4972 7.4972 12.4211 12.4211 12.8757 12.8757 16.1927 16.1927 k = 0.5997 0.1871-0.0041 ( 3854 PWs) bands (ev): -18.8518 -18.8518 -18.6440 -18.6440 -18.4687 -18.4687 -18.4110 -18.4110 -18.1969 -18.1969 -18.1311 -18.1311 -3.4071 -3.4071 -3.2073 -3.2073 -2.4834 -2.4834 -1.7088 -1.7088 -1.5495 -1.5495 -1.4632 -1.4632 -1.1896 -1.1896 -1.0647 -1.0647 -0.8748 -0.8748 0.1064 0.1064 0.2351 0.2351 0.2893 0.2893 0.8560 0.8560 0.9854 0.9854 1.2776 1.2776 1.3895 1.3895 1.4551 1.4551 1.5158 1.5158 3.6034 3.6034 3.6898 3.6898 4.1959 4.1959 4.2962 4.2962 4.3753 4.3753 4.5536 4.5536 5.3795 5.3795 5.4376 5.4376 7.3814 7.3814 7.4857 7.4857 12.3716 12.3716 12.8234 12.8234 16.2885 16.2885 k = 0.5920 0.1926 0.0097 ( 3870 PWs) bands (ev): -18.8559 -18.8559 -18.6401 -18.6401 -18.4686 -18.4686 -18.4174 -18.4174 -18.1936 -18.1936 -18.1280 -18.1280 -3.3852 -3.3852 -3.2071 -3.2071 -2.4736 -2.4736 -1.7146 -1.7146 -1.5409 -1.5409 -1.4639 -1.4639 -1.1972 -1.1972 -1.0869 -1.0869 -0.9018 -0.9018 0.0867 0.0867 0.2228 0.2228 0.2706 0.2706 0.8634 0.8634 0.9972 0.9972 1.2963 1.2963 1.4013 1.4013 1.4638 1.4638 1.5190 1.5190 3.6193 3.6193 3.6949 3.6949 4.2074 4.2074 4.2973 4.2973 4.3730 4.3730 4.5467 4.5467 5.3887 5.3887 5.4431 5.4431 7.3819 7.3819 7.4745 7.4745 12.3251 12.3251 12.7739 12.7739 16.3822 16.3822 k = 0.5844 0.1980 0.0235 ( 3872 PWs) bands (ev): -18.8597 -18.8597 -18.6361 -18.6361 -18.4685 -18.4685 -18.4237 -18.4237 -18.1905 -18.1905 -18.1250 -18.1250 -3.3639 -3.3639 -3.2066 -3.2066 -2.4639 -2.4639 -1.7208 -1.7208 -1.5324 -1.5324 -1.4647 -1.4647 -1.2038 -1.2038 -1.1082 -1.1082 -0.9282 -0.9282 0.0672 0.0672 0.2118 0.2118 0.2531 0.2531 0.8701 0.8701 1.0066 1.0066 1.3159 1.3159 1.4125 1.4125 1.4725 1.4725 1.5219 1.5219 3.6342 3.6342 3.6999 3.6999 4.2185 4.2185 4.2976 4.2976 4.3718 4.3718 4.5393 4.5393 5.3978 5.3978 5.4486 5.4486 7.3826 7.3826 7.4637 7.4637 12.2818 12.2818 12.7275 12.7275 16.4731 16.4731 k = 0.5767 0.2035 0.0374 ( 3872 PWs) bands (ev): -18.8633 -18.8633 -18.6320 -18.6320 -18.4683 -18.4683 -18.4298 -18.4298 -18.1877 -18.1877 -18.1222 -18.1222 -3.3433 -3.3433 -3.2059 -3.2059 -2.4545 -2.4545 -1.7273 -1.7273 -1.5242 -1.5242 -1.4659 -1.4659 -1.2093 -1.2093 -1.1283 -1.1283 -0.9535 -0.9535 0.0482 0.0482 0.2020 0.2020 0.2369 0.2369 0.8761 0.8761 1.0139 1.0139 1.3358 1.3358 1.4228 1.4228 1.4812 1.4812 1.5245 1.5245 3.6477 3.6477 3.7049 3.7049 4.2290 4.2290 4.2969 4.2969 4.3718 4.3718 4.5315 4.5315 5.4066 5.4066 5.4541 5.4541 7.3834 7.3834 7.4535 7.4535 12.2417 12.2417 12.6843 12.6843 16.5605 16.5605 k = 0.5690 0.2089 0.0512 ( 3862 PWs) bands (ev): -18.8666 -18.8666 -18.6280 -18.6280 -18.4682 -18.4682 -18.4358 -18.4358 -18.1851 -18.1851 -18.1196 -18.1196 -3.3240 -3.3240 -3.2048 -3.2048 -2.4455 -2.4455 -1.7338 -1.7338 -1.5163 -1.5163 -1.4673 -1.4673 -1.2137 -1.2137 -1.1471 -1.1471 -0.9776 -0.9776 0.0301 0.0301 0.1933 0.1933 0.2222 0.2222 0.8814 0.8814 1.0195 1.0195 1.3556 1.3556 1.4325 1.4325 1.4896 1.4896 1.5268 1.5268 3.6596 3.6596 3.7101 3.7101 4.2389 4.2389 4.2955 4.2955 4.3730 4.3730 4.5232 4.5232 5.4150 5.4150 5.4595 5.4595 7.3842 7.3842 7.4440 7.4440 12.2050 12.2050 12.6446 12.6446 16.6434 16.6434 k = 0.5613 0.2144 0.0650 ( 3870 PWs) bands (ev): -18.8696 -18.8696 -18.6240 -18.6240 -18.4680 -18.4680 -18.4415 -18.4415 -18.1828 -18.1828 -18.1173 -18.1173 -3.3063 -3.3063 -3.2033 -3.2033 -2.4370 -2.4370 -1.7404 -1.7404 -1.5088 -1.5088 -1.4692 -1.4692 -1.2172 -1.2172 -1.1641 -1.1641 -1.0002 -1.0002 0.0130 0.0130 0.1856 0.1856 0.2089 0.2089 0.8861 0.8861 1.0236 1.0236 1.3746 1.3746 1.4414 1.4414 1.4975 1.4975 1.5289 1.5289 3.6694 3.6694 3.7158 3.7158 4.2480 4.2480 4.2935 4.2935 4.3753 4.3753 4.5144 4.5144 5.4229 5.4229 5.4647 5.4647 7.3849 7.3849 7.4353 7.4353 12.1718 12.1718 12.6085 12.6085 16.7208 16.7208 k = 0.5537 0.2198 0.0788 ( 3868 PWs) bands (ev): -18.8723 -18.8723 -18.6202 -18.6202 -18.4679 -18.4679 -18.4469 -18.4469 -18.1808 -18.1808 -18.1151 -18.1151 -3.2906 -3.2906 -3.2011 -3.2011 -2.4292 -2.4292 -1.7468 -1.7468 -1.5018 -1.5018 -1.4713 -1.4713 -1.2207 -1.2207 -1.1784 -1.1784 -1.0210 -1.0210 -0.0028 -0.0028 0.1789 0.1789 0.1972 0.1972 0.8902 0.8902 1.0266 1.0266 1.3922 1.3922 1.4497 1.4497 1.5048 1.5048 1.5308 1.5308 3.6770 3.6770 3.7220 3.7220 4.2561 4.2561 4.2913 4.2913 4.3789 4.3789 4.5053 4.5053 5.4301 5.4301 5.4697 5.4697 7.3854 7.3854 7.4276 7.4276 12.1423 12.1423 12.5762 12.5762 16.7915 16.7915 k = 0.5460 0.2253 0.0927 ( 3866 PWs) bands (ev): -18.8747 -18.8747 -18.6167 -18.6167 -18.4678 -18.4678 -18.4518 -18.4518 -18.1790 -18.1790 -18.1132 -18.1132 -3.2772 -3.2772 -3.1983 -3.1983 -2.4221 -2.4221 -1.7529 -1.7529 -1.4954 -1.4954 -1.4733 -1.4733 -1.2259 -1.2259 -1.1882 -1.1882 -1.0399 -1.0399 -0.0169 -0.0169 0.1730 0.1730 0.1870 0.1870 0.8936 0.8936 1.0287 1.0287 1.4081 1.4081 1.4573 1.4573 1.5111 1.5111 1.5325 1.5325 3.6826 3.6826 3.7285 3.7285 4.2629 4.2629 4.2892 4.2892 4.3835 4.3835 4.4958 4.4958 5.4364 5.4364 5.4743 5.4743 7.3857 7.3857 7.4210 7.4210 12.1165 12.1165 12.5478 12.5478 16.8543 16.8543 k = 0.5383 0.2308 0.1065 ( 3868 PWs) bands (ev): -18.8767 -18.8767 -18.6134 -18.6134 -18.4677 -18.4677 -18.4562 -18.4562 -18.1775 -18.1775 -18.1115 -18.1115 -3.2665 -3.2665 -3.1947 -3.1947 -2.4158 -2.4158 -1.7585 -1.7585 -1.4899 -1.4899 -1.4750 -1.4750 -1.2339 -1.2339 -1.1925 -1.1925 -1.0568 -1.0568 -0.0293 -0.0293 0.1680 0.1680 0.1785 0.1785 0.8965 0.8965 1.0302 1.0302 1.4216 1.4216 1.4645 1.4645 1.5163 1.5163 1.5341 1.5341 3.6866 3.6866 3.7350 3.7350 4.2681 4.2681 4.2877 4.2877 4.3892 4.3892 4.4861 4.4861 5.4419 5.4419 5.4785 5.4785 7.3856 7.3856 7.4157 7.4157 12.0946 12.0946 12.5236 12.5236 16.9081 16.9081 k = 0.5307 0.2362 0.1203 ( 3874 PWs) bands (ev): -18.8784 -18.8784 -18.6106 -18.6106 -18.4677 -18.4677 -18.4600 -18.4600 -18.1763 -18.1763 -18.1102 -18.1102 -3.2584 -3.2584 -3.1907 -3.1907 -2.4106 -2.4106 -1.7635 -1.7635 -1.4859 -1.4859 -1.4757 -1.4757 -1.2436 -1.2436 -1.1925 -1.1925 -1.0715 -1.0715 -0.0397 -0.0397 0.1638 0.1638 0.1716 0.1716 0.8988 0.8988 1.0311 1.0311 1.4326 1.4326 1.4712 1.4712 1.5203 1.5203 1.5356 1.5356 3.6892 3.6892 3.7409 3.7409 4.2712 4.2712 4.2873 4.2873 4.3958 4.3958 4.4763 4.4763 5.4464 5.4464 5.4822 5.4822 7.3850 7.3850 7.4118 7.4118 12.0765 12.0765 12.5036 12.5036 16.9523 16.9523 k = 0.5230 0.2417 0.1341 ( 3882 PWs) bands (ev): -18.8797 -18.8797 -18.6082 -18.6082 -18.4678 -18.4678 -18.4630 -18.4630 -18.1753 -18.1753 -18.1091 -18.1091 -3.2528 -3.2528 -3.1867 -3.1867 -2.4064 -2.4064 -1.7676 -1.7676 -1.4840 -1.4840 -1.4746 -1.4746 -1.2528 -1.2528 -1.1903 -1.1903 -1.0839 -1.0839 -0.0480 -0.0480 0.1602 0.1602 0.1666 0.1666 0.9006 0.9006 1.0317 1.0317 1.4407 1.4407 1.4772 1.4772 1.5230 1.5230 1.5371 1.5371 3.6910 3.6910 3.7459 3.7459 4.2725 4.2725 4.2880 4.2880 4.4031 4.4031 4.4665 4.4665 5.4499 5.4499 5.4852 5.4852 7.3842 7.3842 7.4091 7.4091 12.0624 12.0624 12.4879 12.4879 16.9864 16.9864 k = 0.5153 0.2471 0.1480 ( 3878 PWs) bands (ev): -18.8807 -18.8807 -18.6064 -18.6064 -18.4680 -18.4680 -18.4650 -18.4650 -18.1746 -18.1746 -18.1083 -18.1083 -3.2491 -3.2491 -3.1833 -3.1833 -2.4033 -2.4033 -1.7707 -1.7707 -1.4838 -1.4838 -1.4725 -1.4725 -1.2602 -1.2602 -1.1874 -1.1874 -1.0933 -1.0933 -0.0540 -0.0540 0.1574 0.1574 0.1632 0.1632 0.9019 0.9019 1.0321 1.0321 1.4463 1.4463 1.4820 1.4820 1.5246 1.5246 1.5384 1.5384 3.6921 3.6921 3.7496 3.7496 4.2726 4.2726 4.2893 4.2893 4.4107 4.4107 4.4572 4.4572 5.4525 5.4525 5.4874 5.4874 7.3833 7.3833 7.4075 7.4075 12.0523 12.0523 12.4766 12.4766 17.0106 17.0106 k = 0.5077 0.2526 0.1618 ( 3884 PWs) bands (ev): -18.8813 -18.8813 -18.6053 -18.6053 -18.4684 -18.4684 -18.4660 -18.4660 -18.1742 -18.1742 -18.1079 -18.1079 -3.2471 -3.2471 -3.1810 -3.1810 -2.4014 -2.4014 -1.7726 -1.7726 -1.4841 -1.4841 -1.4708 -1.4708 -1.2650 -1.2650 -1.1851 -1.1851 -1.0995 -1.0995 -0.0576 -0.0576 0.1556 0.1556 0.1614 0.1614 0.9026 0.9026 1.0323 1.0323 1.4495 1.4495 1.4851 1.4851 1.5255 1.5255 1.5392 1.5392 3.6927 3.6927 3.7519 3.7519 4.2723 4.2723 4.2902 4.2902 4.4176 4.4176 4.4492 4.4492 5.4540 5.4540 5.4887 5.4887 7.3826 7.3826 7.4066 7.4066 12.0462 12.0462 12.4698 12.4698 17.0249 17.0249 k = 0.5000 0.2580 0.1756 ( 3890 PWs) bands (ev): -18.8815 -18.8815 -18.6050 -18.6050 -18.4686 -18.4686 -18.4662 -18.4662 -18.1741 -18.1741 -18.1077 -18.1077 -3.2465 -3.2465 -3.1802 -3.1802 -2.4008 -2.4008 -1.7733 -1.7733 -1.4842 -1.4842 -1.4702 -1.4702 -1.2667 -1.2667 -1.1842 -1.1842 -1.1016 -1.1016 -0.0589 -0.0589 0.1549 0.1549 0.1608 0.1608 0.9029 0.9029 1.0323 1.0323 1.4506 1.4506 1.4862 1.4862 1.5257 1.5257 1.5395 1.5395 3.6929 3.6929 3.7527 3.7527 4.2722 4.2722 4.2906 4.2906 4.4210 4.4210 4.4455 4.4455 5.4545 5.4545 5.4892 5.4892 7.3823 7.3823 7.4064 7.4064 12.0441 12.0441 12.4676 12.4676 17.0296 17.0296 k = 0.5000 0.2580 0.1756 ( 3890 PWs) bands (ev): -18.8815 -18.8815 -18.6050 -18.6050 -18.4686 -18.4686 -18.4662 -18.4662 -18.1741 -18.1741 -18.1077 -18.1077 -3.2465 -3.2465 -3.1802 -3.1802 -2.4008 -2.4008 -1.7733 -1.7733 -1.4842 -1.4842 -1.4702 -1.4702 -1.2667 -1.2667 -1.1842 -1.1842 -1.1016 -1.1016 -0.0589 -0.0589 0.1549 0.1549 0.1608 0.1608 0.9029 0.9029 1.0323 1.0323 1.4506 1.4506 1.4862 1.4862 1.5257 1.5257 1.5395 1.5395 3.6929 3.6929 3.7527 3.7527 4.2722 4.2722 4.2906 4.2906 4.4210 4.4210 4.4455 4.4455 5.4545 5.4545 5.4892 5.4892 7.3823 7.3823 7.4064 7.4064 12.0441 12.0441 12.4676 12.4676 17.0296 17.0296 k = 0.4857 0.2506 0.1706 ( 3881 PWs) bands (ev): -18.8827 -18.8827 -18.6036 -18.6036 -18.4686 -18.4686 -18.4662 -18.4662 -18.1741 -18.1741 -18.1077 -18.1077 -3.2464 -3.2464 -3.1802 -3.1802 -2.4034 -2.4034 -1.7728 -1.7728 -1.4854 -1.4854 -1.4701 -1.4701 -1.2666 -1.2666 -1.1850 -1.1850 -1.1013 -1.1013 -0.0558 -0.0558 0.1570 0.1570 0.1631 0.1631 0.9020 0.9020 1.0327 1.0327 1.4498 1.4498 1.4852 1.4852 1.5266 1.5266 1.5407 1.5407 3.6913 3.6913 3.7506 3.7506 4.2712 4.2712 4.2911 4.2911 4.4099 4.4099 4.4574 4.4574 5.4536 5.4536 5.4880 5.4880 7.3842 7.3842 7.4083 7.4083 12.0134 12.0134 12.4991 12.4991 17.0299 17.0299 k = 0.4714 0.2433 0.1656 ( 3875 PWs) bands (ev): -18.8864 -18.8864 -18.5997 -18.5997 -18.4686 -18.4686 -18.4662 -18.4662 -18.1740 -18.1740 -18.1077 -18.1077 -3.2465 -3.2465 -3.1804 -3.1804 -2.4113 -2.4113 -1.7716 -1.7716 -1.4891 -1.4891 -1.4699 -1.4699 -1.2665 -1.2665 -1.1873 -1.1873 -1.1006 -1.1006 -0.0468 -0.0468 0.1632 0.1632 0.1700 0.1700 0.8995 0.8995 1.0336 1.0336 1.4477 1.4477 1.4822 1.4822 1.5292 1.5292 1.5439 1.5439 3.6864 3.6864 3.7445 3.7445 4.2677 4.2677 4.2927 4.2927 4.3934 4.3934 4.4764 4.4764 5.4510 5.4510 5.4845 5.4845 7.3899 7.3899 7.4141 7.4141 11.9392 11.9392 12.5757 12.5757 17.0307 17.0307 k = 0.4571 0.2359 0.1605 ( 3863 PWs) bands (ev): -18.8924 -18.8924 -18.5934 -18.5934 -18.4686 -18.4686 -18.4662 -18.4662 -18.1739 -18.1739 -18.1077 -18.1077 -3.2465 -3.2465 -3.1806 -3.1806 -2.4240 -2.4240 -1.7699 -1.7699 -1.4952 -1.4952 -1.4695 -1.4695 -1.2666 -1.2666 -1.1907 -1.1907 -1.0993 -1.0993 -0.0319 -0.0319 0.1735 0.1735 0.1814 0.1814 0.8954 0.8954 1.0350 1.0350 1.4445 1.4445 1.4780 1.4780 1.5331 1.5331 1.5487 1.5487 3.6784 3.6784 3.7346 3.7346 4.2603 4.2603 4.2951 4.2951 4.3796 4.3796 4.4958 4.4958 5.4468 5.4468 5.4787 5.4787 7.3992 7.3992 7.4237 7.4237 11.8450 11.8450 12.6737 12.6737 17.0320 17.0320 k = 0.4429 0.2285 0.1555 ( 3857 PWs) bands (ev): -18.9003 -18.9003 -18.5851 -18.5851 -18.4686 -18.4686 -18.4662 -18.4662 -18.1738 -18.1738 -18.1076 -18.1076 -3.2465 -3.2465 -3.1809 -3.1809 -2.4412 -2.4412 -1.7682 -1.7682 -1.5034 -1.5034 -1.4686 -1.4686 -1.2676 -1.2676 -1.1944 -1.1944 -1.0977 -1.0977 -0.0114 -0.0114 0.1877 0.1877 0.1972 0.1972 0.8900 0.8900 1.0368 1.0368 1.4406 1.4406 1.4731 1.4731 1.5379 1.5379 1.5544 1.5544 3.6675 3.6675 3.7209 3.7209 4.2477 4.2477 4.2982 4.2982 4.3707 4.3707 4.5146 4.5146 5.4411 5.4411 5.4709 5.4709 7.4121 7.4121 7.4369 7.4369 11.7427 11.7427 12.7815 12.7815 17.0337 17.0337 k = 0.4286 0.2212 0.1505 ( 3845 PWs) bands (ev): -18.9098 -18.9098 -18.5751 -18.5751 -18.4686 -18.4686 -18.4663 -18.4663 -18.1736 -18.1736 -18.1076 -18.1076 -3.2465 -3.2465 -3.1813 -3.1813 -2.4623 -2.4623 -1.7671 -1.7671 -1.5137 -1.5137 -1.4670 -1.4670 -1.2703 -1.2703 -1.1973 -1.1973 -1.0957 -1.0957 0.0143 0.0143 0.2057 0.2057 0.2170 0.2170 0.8833 0.8833 1.0388 1.0388 1.4362 1.4362 1.4679 1.4679 1.5435 1.5435 1.5606 1.5606 3.6538 3.6538 3.7039 3.7039 4.2296 4.2296 4.3016 4.3016 4.3671 4.3671 4.5323 4.5323 5.4343 5.4343 5.4613 5.4613 7.4283 7.4283 7.4535 7.4535 11.6369 11.6369 12.8944 12.8944 17.0360 17.0360 k = 0.4143 0.2138 0.1455 ( 3848 PWs) bands (ev): -18.9205 -18.9205 -18.5637 -18.5637 -18.4686 -18.4686 -18.4663 -18.4663 -18.1734 -18.1734 -18.1075 -18.1075 -3.2466 -3.2466 -3.1818 -3.1818 -2.4869 -2.4869 -1.7670 -1.7670 -1.5257 -1.5257 -1.4645 -1.4645 -1.2754 -1.2754 -1.1983 -1.1983 -1.0934 -1.0934 0.0448 0.0448 0.2272 0.2272 0.2405 0.2405 0.8757 0.8757 1.0409 1.0409 1.4318 1.4318 1.4627 1.4627 1.5494 1.5494 1.5670 1.5670 3.6377 3.6377 3.6838 3.6838 4.2069 4.2069 4.3050 4.3050 4.3679 4.3679 4.5487 4.5487 5.4264 5.4264 5.4500 5.4500 7.4476 7.4476 7.4731 7.4731 11.5299 11.5299 13.0101 13.0101 17.0386 17.0386 k = 0.4000 0.2064 0.1405 ( 3848 PWs) bands (ev): -18.9322 -18.9322 -18.5513 -18.5513 -18.4686 -18.4686 -18.4663 -18.4663 -18.1732 -18.1732 -18.1075 -18.1075 -3.2467 -3.2467 -3.1823 -3.1823 -2.5142 -2.5142 -1.7684 -1.7684 -1.5393 -1.5393 -1.4613 -1.4613 -1.2832 -1.2832 -1.1966 -1.1966 -1.0909 -1.0909 0.0798 0.0798 0.2521 0.2521 0.2675 0.2675 0.8672 0.8672 1.0429 1.0429 1.4274 1.4274 1.4576 1.4576 1.5555 1.5555 1.5735 1.5735 3.6193 3.6193 3.6610 3.6610 4.1809 4.1809 4.3082 4.3082 4.3717 4.3717 4.5636 4.5636 5.4179 5.4179 5.4375 5.4375 7.4697 7.4697 7.4957 7.4957 11.4229 11.4229 13.1276 13.1276 17.0417 17.0417 k = 0.3857 0.1990 0.1355 ( 3848 PWs) bands (ev): -18.9446 -18.9446 -18.5382 -18.5382 -18.4686 -18.4686 -18.4664 -18.4664 -18.1729 -18.1729 -18.1074 -18.1074 -3.2467 -3.2467 -3.1830 -3.1830 -2.5439 -2.5439 -1.7712 -1.7712 -1.5541 -1.5541 -1.4575 -1.4575 -1.2932 -1.2932 -1.1923 -1.1923 -1.0883 -1.0883 0.1187 0.1187 0.2800 0.2800 0.2976 0.2976 0.8580 0.8580 1.0447 1.0447 1.4232 1.4232 1.4529 1.4529 1.5616 1.5616 1.5799 1.5799 3.5988 3.5988 3.6356 3.6356 4.1526 4.1526 4.3109 4.3109 4.3772 4.3772 4.5772 4.5772 5.4091 5.4091 5.4241 5.4241 7.4943 7.4943 7.5207 7.5207 11.3166 11.3166 13.2460 13.2460 17.0450 17.0450 k = 0.3714 0.1917 0.1304 ( 3869 PWs) bands (ev): -18.9574 -18.9574 -18.5245 -18.5245 -18.4686 -18.4686 -18.4665 -18.4665 -18.1726 -18.1726 -18.1073 -18.1073 -3.2469 -3.2469 -3.1838 -3.1838 -2.5754 -2.5754 -1.7757 -1.7757 -1.5700 -1.5700 -1.4536 -1.4536 -1.3048 -1.3048 -1.1854 -1.1854 -1.0855 -1.0855 0.1610 0.1610 0.3107 0.3107 0.3305 0.3305 0.8484 0.8484 1.0465 1.0465 1.4194 1.4194 1.4485 1.4485 1.5676 1.5676 1.5860 1.5860 3.5766 3.5766 3.6082 3.6082 4.1226 4.1226 4.3127 4.3127 4.3835 4.3835 4.5892 4.5892 5.4002 5.4002 5.4100 5.4100 7.5211 7.5211 7.5479 7.5479 11.2114 11.2114 13.3652 13.3652 17.0486 17.0486 k = 0.3571 0.1843 0.1254 ( 3869 PWs) bands (ev): -18.9705 -18.9705 -18.5105 -18.5105 -18.4687 -18.4687 -18.4665 -18.4665 -18.1722 -18.1722 -18.1072 -18.1072 -3.2470 -3.2470 -3.1846 -3.1846 -2.6082 -2.6082 -1.7817 -1.7817 -1.5866 -1.5866 -1.4503 -1.4503 -1.3166 -1.3166 -1.1763 -1.1763 -1.0826 -1.0826 0.2062 0.2062 0.3439 0.3439 0.3658 0.3658 0.8383 0.8383 1.0480 1.0480 1.4160 1.4160 1.4446 1.4446 1.5735 1.5735 1.5919 1.5919 3.5529 3.5529 3.5788 3.5788 4.0916 4.0916 4.3135 4.3135 4.3899 4.3899 4.6000 4.6000 5.3917 5.3917 5.3957 5.3957 7.5498 7.5498 7.5770 7.5770 11.1077 11.1077 13.4847 13.4847 17.0524 17.0524 k = 0.3429 0.1769 0.1204 ( 3863 PWs) bands (ev): -18.9837 -18.9837 -18.4963 -18.4963 -18.4687 -18.4687 -18.4666 -18.4666 -18.1718 -18.1718 -18.1071 -18.1071 -3.2471 -3.2471 -3.1855 -3.1855 -2.6419 -2.6419 -1.7889 -1.7889 -1.6038 -1.6038 -1.4485 -1.4485 -1.3278 -1.3278 -1.1653 -1.1653 -1.0797 -1.0797 0.2539 0.2539 0.3795 0.3795 0.4033 0.4033 0.8281 0.8281 1.0493 1.0493 1.4132 1.4132 1.4413 1.4413 1.5790 1.5790 1.5975 1.5975 3.5277 3.5277 3.5478 3.5478 4.0598 4.0598 4.3131 4.3131 4.3957 4.3957 4.6096 4.6096 5.3814 5.3814 5.3837 5.3837 7.5801 7.5801 7.6076 7.6076 11.0058 11.0058 13.6043 13.6043 17.0562 17.0562 k = 0.3286 0.1696 0.1154 ( 3863 PWs) bands (ev): -18.9969 -18.9969 -18.4820 -18.4820 -18.4686 -18.4686 -18.4667 -18.4667 -18.1713 -18.1713 -18.1070 -18.1070 -3.2473 -3.2473 -3.1865 -3.1865 -2.6763 -2.6763 -1.7972 -1.7972 -1.6214 -1.6214 -1.4493 -1.4493 -1.3371 -1.3371 -1.1525 -1.1525 -1.0768 -1.0768 0.3034 0.3034 0.4170 0.4170 0.4426 0.4426 0.8177 0.8177 1.0505 1.0505 1.4110 1.4110 1.4385 1.4385 1.5841 1.5841 1.6025 1.6025 3.5014 3.5014 3.5153 3.5153 4.0274 4.0274 4.3113 4.3113 4.4005 4.4005 4.6182 4.6182 5.3674 5.3674 5.3765 5.3765 7.6116 7.6116 7.6394 7.6394 10.9059 10.9059 13.7238 13.7238 17.0600 17.0600 k = 0.3143 0.1622 0.1104 ( 3875 PWs) bands (ev): -19.0100 -19.0100 -18.4692 -18.4692 -18.4673 -18.4673 -18.4667 -18.4667 -18.1708 -18.1708 -18.1070 -18.1070 -3.2476 -3.2476 -3.1876 -3.1876 -2.7110 -2.7110 -1.8063 -1.8063 -1.6391 -1.6391 -1.4533 -1.4533 -1.3438 -1.3438 -1.1382 -1.1382 -1.0739 -1.0739 0.3542 0.3542 0.4562 0.4562 0.4833 0.4833 0.8074 0.8074 1.0517 1.0517 1.4093 1.4093 1.4364 1.4364 1.5889 1.5889 1.6071 1.6071 3.4741 3.4741 3.4817 3.4817 3.9946 3.9946 4.3081 4.3081 4.4039 4.4039 4.6260 4.6260 5.3539 5.3539 5.3702 5.3702 7.6441 7.6441 7.6721 7.6721 10.8083 10.8083 13.8431 13.8431 17.0637 17.0637 k = 0.3000 0.1548 0.1054 ( 3877 PWs) bands (ev): -19.0230 -19.0230 -18.4688 -18.4688 -18.4668 -18.4668 -18.4538 -18.4538 -18.1702 -18.1702 -18.1069 -18.1069 -3.2478 -3.2478 -3.1887 -3.1887 -2.7456 -2.7456 -1.8159 -1.8159 -1.6569 -1.6569 -1.4608 -1.4608 -1.3475 -1.3475 -1.1224 -1.1224 -1.0711 -1.0711 0.4056 0.4056 0.4969 0.4969 0.5252 0.5252 0.7972 0.7972 1.0530 1.0530 1.4084 1.4084 1.4349 1.4349 1.5931 1.5931 1.6112 1.6112 3.4459 3.4459 3.4471 3.4471 3.9616 3.9616 4.3034 4.3034 4.4054 4.4054 4.6334 4.6334 5.3411 5.3411 5.3650 5.3650 7.6772 7.6772 7.7054 7.7054 10.7131 10.7131 13.9621 13.9621 17.0670 17.0670 k = 0.2857 0.1474 0.1003 ( 3865 PWs) bands (ev): -19.0356 -19.0356 -18.4687 -18.4687 -18.4669 -18.4669 -18.4400 -18.4400 -18.1696 -18.1696 -18.1067 -18.1067 -3.2481 -3.2481 -3.1899 -3.1899 -2.7800 -2.7800 -1.8258 -1.8258 -1.6744 -1.6744 -1.4713 -1.4713 -1.3487 -1.3487 -1.1054 -1.1054 -1.0683 -1.0683 0.4571 0.4571 0.5387 0.5387 0.5679 0.5679 0.7874 0.7874 1.0546 1.0546 1.4082 1.4082 1.4342 1.4342 1.5968 1.5968 1.6147 1.6147 3.4117 3.4117 3.4171 3.4171 3.9286 3.9286 4.2974 4.2974 4.4049 4.4049 4.6406 4.6406 5.3293 5.3293 5.3609 5.3609 7.7107 7.7107 7.7390 7.7390 10.6206 10.6206 14.0805 14.0805 17.0698 17.0698 k = 0.2714 0.1401 0.0953 ( 3883 PWs) bands (ev): -19.0480 -19.0480 -18.4688 -18.4688 -18.4670 -18.4670 -18.4267 -18.4267 -18.1689 -18.1689 -18.1066 -18.1066 -3.2484 -3.2484 -3.1912 -3.1912 -2.8139 -2.8139 -1.8359 -1.8359 -1.6917 -1.6917 -1.4839 -1.4839 -1.3482 -1.3482 -1.0874 -1.0874 -1.0656 -1.0656 0.5078 0.5078 0.5815 0.5815 0.6110 0.6110 0.7782 0.7782 1.0569 1.0569 1.4087 1.4087 1.4341 1.4341 1.5998 1.5998 1.6175 1.6175 3.3757 3.3757 3.3877 3.3877 3.8956 3.8956 4.2898 4.2898 4.4021 4.4021 4.6478 4.6478 5.3183 5.3183 5.3579 5.3579 7.7443 7.7443 7.7727 7.7727 10.5310 10.5310 14.1982 14.1982 17.0720 17.0720 k = 0.2571 0.1327 0.0903 ( 3889 PWs) bands (ev): -19.0599 -19.0599 -18.4688 -18.4688 -18.4671 -18.4671 -18.4137 -18.4137 -18.1682 -18.1682 -18.1065 -18.1065 -3.2487 -3.2487 -3.1925 -3.1925 -2.8471 -2.8471 -1.8460 -1.8460 -1.7085 -1.7085 -1.4977 -1.4977 -1.3467 -1.3467 -1.0686 -1.0686 -1.0630 -1.0630 0.5567 0.5567 0.6250 0.6250 0.6540 0.6540 0.7702 0.7702 1.0603 1.0603 1.4100 1.4100 1.4348 1.4348 1.6023 1.6023 1.6197 1.6197 3.3392 3.3392 3.3580 3.3580 3.8628 3.8628 4.2810 4.2810 4.3972 4.3972 4.6552 4.6552 5.3085 5.3085 5.3560 5.3560 7.7777 7.7777 7.8060 7.8060 10.4445 10.4445 14.3152 14.3152 17.0733 17.0733 k = 0.2429 0.1253 0.0853 ( 3892 PWs) bands (ev): -19.0715 -19.0715 -18.4688 -18.4688 -18.4672 -18.4672 -18.4012 -18.4012 -18.1674 -18.1674 -18.1064 -18.1064 -3.2491 -3.2491 -3.1939 -3.1939 -2.8794 -2.8794 -1.8560 -1.8560 -1.7248 -1.7248 -1.5121 -1.5121 -1.3447 -1.3447 -1.0605 -1.0605 -1.0493 -1.0493 0.6026 0.6026 0.6688 0.6688 0.6957 0.6957 0.7650 0.7650 1.0653 1.0653 1.4120 1.4120 1.4361 1.4361 1.6041 1.6041 1.6212 1.6212 3.3026 3.3026 3.3280 3.3280 3.8303 3.8303 4.2710 4.2710 4.3902 4.3902 4.6628 4.6628 5.2998 5.2998 5.3551 5.3551 7.8108 7.8108 7.8390 7.8390 10.3612 10.3612 14.4313 14.4313 17.0736 17.0736 k = 0.2286 0.1179 0.0803 ( 3895 PWs) bands (ev): -19.0825 -19.0825 -18.4688 -18.4688 -18.4673 -18.4673 -18.3893 -18.3893 -18.1665 -18.1665 -18.1063 -18.1063 -3.2495 -3.2495 -3.1953 -3.1953 -2.9106 -2.9106 -1.8657 -1.8657 -1.7405 -1.7405 -1.5266 -1.5266 -1.3425 -1.3425 -1.0581 -1.0581 -1.0297 -1.0297 0.6431 0.6431 0.7128 0.7128 0.7313 0.7313 0.7682 0.7682 1.0726 1.0726 1.4148 1.4148 1.4382 1.4382 1.6052 1.6052 1.6220 1.6220 3.2659 3.2659 3.2980 3.2980 3.7983 3.7983 4.2600 4.2600 4.3813 4.3813 4.6706 4.6706 5.2922 5.2922 5.3550 5.3550 7.8431 7.8431 7.8712 7.8712 10.2814 10.2814 14.5462 14.5462 17.0727 17.0727 k = 0.2143 0.1106 0.0753 ( 3901 PWs) bands (ev): -19.0931 -19.0931 -18.4688 -18.4688 -18.4673 -18.4673 -18.3779 -18.3779 -18.1656 -18.1656 -18.1062 -18.1062 -3.2499 -3.2499 -3.1967 -3.1967 -2.9406 -2.9406 -1.8751 -1.8751 -1.7555 -1.7555 -1.5410 -1.5410 -1.3404 -1.3404 -1.0558 -1.0558 -1.0100 -1.0100 0.6737 0.6737 0.7499 0.7499 0.7567 0.7567 0.7941 0.7941 1.0830 1.0830 1.4183 1.4183 1.4409 1.4409 1.6057 1.6057 1.6221 1.6221 3.2294 3.2294 3.2680 3.2680 3.7668 3.7668 4.2482 4.2482 4.3709 4.3709 4.6785 4.6785 5.2856 5.2856 5.3558 5.3558 7.8747 7.8747 7.9025 7.9025 10.2053 10.2053 14.6598 14.6598 17.0704 17.0704 k = 0.2000 0.1032 0.0702 ( 3904 PWs) bands (ev): -19.1031 -19.1031 -18.4689 -18.4689 -18.4674 -18.4674 -18.3672 -18.3672 -18.1646 -18.1646 -18.1061 -18.1061 -3.2503 -3.2503 -3.1981 -3.1981 -2.9693 -2.9693 -1.8841 -1.8841 -1.7697 -1.7697 -1.5548 -1.5548 -1.3384 -1.3384 -1.0536 -1.0536 -0.9905 -0.9905 0.6892 0.6892 0.7664 0.7664 0.8002 0.8002 0.8315 0.8315 1.0975 1.0975 1.4226 1.4226 1.4442 1.4442 1.6054 1.6054 1.6215 1.6215 3.1933 3.1933 3.2384 3.2384 3.7361 3.7361 4.2358 4.2358 4.3593 4.3593 4.6865 4.6865 5.2800 5.2800 5.3571 5.3571 7.9051 7.9051 7.9327 7.9327 10.1330 10.1330 14.7720 14.7720 17.0666 17.0666 k = 0.1857 0.0958 0.0652 ( 3904 PWs) bands (ev): -19.1125 -19.1125 -18.4689 -18.4689 -18.4675 -18.4675 -18.3571 -18.3571 -18.1636 -18.1636 -18.1060 -18.1060 -3.2508 -3.2508 -3.1995 -3.1995 -2.9964 -2.9964 -1.8927 -1.8927 -1.7831 -1.7831 -1.5681 -1.5681 -1.3366 -1.3366 -1.0516 -1.0516 -0.9713 -0.9713 0.6921 0.6921 0.7877 0.7877 0.8431 0.8431 0.8697 0.8697 1.1166 1.1166 1.4275 1.4275 1.4481 1.4481 1.6045 1.6045 1.6202 1.6202 3.1578 3.1578 3.2092 3.2092 3.7062 3.7062 4.2231 4.2231 4.3467 4.3467 4.6944 4.6944 5.2754 5.2754 5.3590 5.3590 7.9343 7.9343 7.9616 7.9616 10.0648 10.0648 14.8824 14.8824 17.0610 17.0610 k = 0.1714 0.0885 0.0602 ( 3910 PWs) bands (ev): -19.1213 -19.1213 -18.4689 -18.4689 -18.4676 -18.4676 -18.3478 -18.3478 -18.1625 -18.1625 -18.1059 -18.1059 -3.2513 -3.2513 -3.2009 -3.2009 -3.0220 -3.0220 -1.9007 -1.9007 -1.7956 -1.7956 -1.5806 -1.5806 -1.3349 -1.3349 -1.0497 -1.0497 -0.9527 -0.9527 0.6895 0.6895 0.8081 0.8081 0.8849 0.8849 0.9071 0.9071 1.1403 1.1403 1.4330 1.4330 1.4524 1.4524 1.6028 1.6028 1.6182 1.6182 3.1232 3.1232 3.1806 3.1806 3.6773 3.6773 4.2102 4.2102 4.3337 4.3337 4.7022 4.7022 5.2715 5.2715 5.3612 5.3612 7.9621 7.9621 7.9891 7.9891 10.0007 10.0007 14.9908 14.9908 17.0535 17.0535 k = 0.1571 0.0811 0.0552 ( 3904 PWs) bands (ev): -19.1295 -19.1295 -18.4689 -18.4689 -18.4676 -18.4676 -18.3391 -18.3391 -18.1614 -18.1614 -18.1058 -18.1058 -3.2517 -3.2517 -3.2022 -3.2022 -3.0458 -3.0458 -1.9082 -1.9082 -1.8073 -1.8073 -1.5922 -1.5922 -1.3335 -1.3335 -1.0480 -1.0480 -0.9349 -0.9349 0.6849 0.6849 0.8245 0.8245 0.9256 0.9256 0.9432 0.9432 1.1681 1.1681 1.4391 1.4391 1.4572 1.4572 1.6005 1.6005 1.6156 1.6156 3.0897 3.0897 3.1530 3.1530 3.6496 3.6496 4.1973 4.1973 4.3204 4.3204 4.7097 4.7097 5.2685 5.2685 5.3637 5.3637 7.9882 7.9882 8.0150 8.0150 9.9411 9.9411 15.0968 15.0968 17.0440 17.0440 k = 0.1429 0.0737 0.0502 ( 3901 PWs) bands (ev): -19.1371 -19.1371 -18.4689 -18.4689 -18.4677 -18.4677 -18.3313 -18.3313 -18.1603 -18.1603 -18.1057 -18.1057 -3.2522 -3.2522 -3.2034 -3.2034 -3.0679 -3.0679 -1.9151 -1.9151 -1.8179 -1.8179 -1.6030 -1.6030 -1.3323 -1.3323 -1.0464 -1.0464 -0.9179 -0.9179 0.6796 0.6796 0.8364 0.8364 0.9646 0.9646 0.9777 0.9777 1.1988 1.1988 1.4458 1.4458 1.4623 1.4623 1.5976 1.5976 1.6124 1.6124 3.0576 3.0576 3.1264 3.1264 3.6233 3.6233 4.1848 4.1848 4.3073 4.3073 4.7168 4.7168 5.2661 5.2661 5.3663 5.3663 8.0126 8.0126 8.0390 8.0390 9.8860 9.8860 15.2000 15.2000 17.0322 17.0322 k = 0.1286 0.0663 0.0452 ( 3889 PWs) bands (ev): -19.1440 -19.1440 -18.4689 -18.4689 -18.4678 -18.4678 -18.3241 -18.3241 -18.1592 -18.1592 -18.1056 -18.1056 -3.2527 -3.2527 -3.2047 -3.2047 -3.0880 -3.0880 -1.9214 -1.9214 -1.8276 -1.8276 -1.6128 -1.6128 -1.3312 -1.3312 -1.0449 -1.0449 -0.9020 -0.9020 0.6744 0.6744 0.8445 0.8445 1.0018 1.0018 1.0103 1.0103 1.2308 1.2308 1.4528 1.4528 1.4676 1.4676 1.5940 1.5940 1.6086 1.6086 3.0272 3.0272 3.1012 3.1012 3.5985 3.5985 4.1728 4.1728 4.2945 4.2945 4.7235 4.7235 5.2642 5.2642 5.3690 5.3690 8.0351 8.0351 8.0612 8.0612 9.8356 9.8356 15.3000 15.3000 17.0181 17.0181 k = 0.1143 0.0590 0.0401 ( 3892 PWs) bands (ev): -19.1502 -19.1502 -18.4689 -18.4689 -18.4678 -18.4678 -18.3178 -18.3178 -18.1581 -18.1581 -18.1055 -18.1055 -3.2531 -3.2531 -3.2058 -3.2058 -3.1062 -3.1062 -1.9271 -1.9271 -1.8363 -1.8363 -1.6217 -1.6217 -1.3304 -1.3304 -1.0436 -1.0436 -0.8874 -0.8874 0.6694 0.6694 0.8496 0.8496 1.0368 1.0368 1.0407 1.0407 1.2628 1.2628 1.4601 1.4601 1.4730 1.4730 1.5900 1.5900 1.6045 1.6045 2.9987 2.9987 3.0776 3.0776 3.5755 3.5755 4.1615 4.1615 4.2824 4.2824 4.7297 4.7297 5.2627 5.2627 5.3716 5.3716 8.0556 8.0556 8.0814 8.0814 9.7901 9.7901 15.3959 15.3959 17.0016 17.0016 k = 0.1000 0.0516 0.0351 ( 3892 PWs) bands (ev): -19.1557 -19.1557 -18.4689 -18.4689 -18.4679 -18.4679 -18.3122 -18.3122 -18.1571 -18.1571 -18.1055 -18.1055 -3.2536 -3.2536 -3.2068 -3.2068 -3.1224 -3.1224 -1.9321 -1.9321 -1.8441 -1.8441 -1.6296 -1.6296 -1.3296 -1.3296 -1.0425 -1.0425 -0.8741 -0.8741 0.6649 0.6649 0.8525 0.8525 1.0684 1.0684 1.0691 1.0691 1.2936 1.2936 1.4676 1.4676 1.4782 1.4782 1.5855 1.5855 1.6001 1.6001 2.9725 2.9725 3.0558 3.0558 3.5546 3.5546 4.1510 4.1510 4.2712 4.2712 4.7352 4.7352 5.2617 5.2617 5.3741 5.3741 8.0740 8.0740 8.0995 8.0995 9.7496 9.7496 15.4871 15.4871 16.9827 16.9827 k = 0.0857 0.0442 0.0301 ( 3886 PWs) bands (ev): -19.1605 -19.1605 -18.4689 -18.4689 -18.4679 -18.4679 -18.3074 -18.3074 -18.1561 -18.1561 -18.1054 -18.1054 -3.2540 -3.2540 -3.2078 -3.2078 -3.1365 -3.1365 -1.9365 -1.9365 -1.8508 -1.8508 -1.6364 -1.6364 -1.3290 -1.3290 -1.0415 -1.0415 -0.8624 -0.8624 0.6609 0.6609 0.8539 0.8539 1.0933 1.0933 1.0984 1.0984 1.3222 1.3222 1.4751 1.4751 1.4831 1.4831 1.5807 1.5807 1.5956 1.5956 2.9490 2.9490 3.0362 3.0362 3.5358 3.5358 4.1416 4.1416 4.2611 4.2611 4.7401 4.7401 5.2609 5.2609 5.3764 5.3764 8.0901 8.0901 8.1153 8.1153 9.7142 9.7142 15.5722 15.5722 16.9616 16.9616 k = 0.0714 0.0369 0.0251 ( 3883 PWs) bands (ev): -19.1646 -19.1646 -18.4689 -18.4689 -18.4680 -18.4680 -18.3033 -18.3033 -18.1552 -18.1552 -18.1054 -18.1054 -3.2545 -3.2545 -3.2086 -3.2086 -3.1485 -3.1485 -1.9403 -1.9403 -1.8564 -1.8564 -1.6422 -1.6422 -1.3286 -1.3286 -1.0406 -1.0406 -0.8522 -0.8522 0.6574 0.6574 0.8544 0.8544 1.1149 1.1149 1.1242 1.1242 1.3477 1.3477 1.4825 1.4825 1.4876 1.4876 1.5757 1.5757 1.5912 1.5912 2.9284 2.9284 3.0191 3.0191 3.5195 3.5195 4.1334 4.1334 4.2522 4.2522 4.7444 4.7444 5.2604 5.2604 5.3784 5.3784 8.1038 8.1038 8.1288 8.1288 9.6840 9.6840 15.6501 15.6501 16.9391 16.9391 k = 0.0571 0.0295 0.0201 ( 3883 PWs) bands (ev): -19.1679 -19.1679 -18.4689 -18.4689 -18.4680 -18.4680 -18.3000 -18.3000 -18.1544 -18.1544 -18.1053 -18.1053 -3.2548 -3.2548 -3.2092 -3.2092 -3.1584 -3.1584 -1.9434 -1.9434 -1.8611 -1.8611 -1.6470 -1.6470 -1.3282 -1.3282 -1.0399 -1.0399 -0.8438 -0.8438 0.6546 0.6546 0.8543 0.8543 1.1330 1.1330 1.1462 1.1462 1.3695 1.3695 1.4895 1.4895 1.4914 1.4914 1.5707 1.5707 1.5871 1.5871 2.9110 2.9110 3.0046 3.0046 3.5058 3.5058 4.1266 4.1266 4.2448 4.2448 4.7479 4.7479 5.2600 5.2600 5.3801 5.3801 8.1152 8.1152 8.1400 8.1400 9.6592 9.6592 15.7188 15.7188 16.9162 16.9162 k = 0.0429 0.0221 0.0151 ( 3871 PWs) bands (ev): -19.1705 -19.1705 -18.4689 -18.4689 -18.4680 -18.4680 -18.2975 -18.2975 -18.1538 -18.1538 -18.1053 -18.1053 -3.2551 -3.2551 -3.2097 -3.2097 -3.1660 -3.1660 -1.9457 -1.9457 -1.8647 -1.8647 -1.6507 -1.6507 -1.3279 -1.3279 -1.0394 -1.0394 -0.8371 -0.8371 0.6524 0.6524 0.8540 0.8540 1.1474 1.1474 1.1639 1.1639 1.3870 1.3870 1.4946 1.4946 1.4959 1.4959 1.5660 1.5660 1.5836 1.5836 2.8971 2.8971 2.9930 2.9930 3.4950 3.4950 4.1211 4.1211 4.2389 4.2389 4.7507 4.7507 5.2598 5.2598 5.3815 5.3815 8.1241 8.1241 8.1488 8.1488 9.6399 9.6399 15.7762 15.7762 16.8947 16.8947 k = 0.0286 0.0147 0.0100 ( 3886 PWs) bands (ev): -19.1724 -19.1724 -18.4690 -18.4690 -18.4680 -18.4680 -18.2957 -18.2957 -18.1534 -18.1534 -18.1052 -18.1052 -3.2554 -3.2554 -3.2102 -3.2102 -3.1715 -3.1715 -1.9474 -1.9474 -1.8673 -1.8673 -1.6533 -1.6533 -1.3278 -1.3278 -1.0390 -1.0390 -0.8323 -0.8323 0.6507 0.6507 0.8536 0.8536 1.1578 1.1578 1.1769 1.1769 1.3997 1.3997 1.4968 1.4968 1.5012 1.5012 1.5619 1.5619 1.5809 1.5809 2.8870 2.8870 2.9846 2.9846 3.4871 3.4871 4.1171 4.1171 4.2346 4.2346 4.7527 4.7527 5.2596 5.2596 5.3824 5.3824 8.1305 8.1305 8.1550 8.1550 9.6260 9.6260 15.8198 15.8198 16.8769 16.8769 k = 0.0143 0.0074 0.0050 ( 3883 PWs) bands (ev): -19.1735 -19.1735 -18.4690 -18.4690 -18.4680 -18.4680 -18.2946 -18.2946 -18.1531 -18.1531 -18.1052 -18.1052 -3.2555 -3.2555 -3.2104 -3.2104 -3.1748 -3.1748 -1.9485 -1.9485 -1.8689 -1.8689 -1.6549 -1.6549 -1.3277 -1.3277 -1.0388 -1.0388 -0.8294 -0.8294 0.6498 0.6498 0.8533 0.8533 1.1642 1.1642 1.1849 1.1849 1.4075 1.4075 1.4982 1.4982 1.5048 1.5048 1.5591 1.5591 1.5792 1.5792 2.8809 2.8809 2.9795 2.9795 3.4823 3.4823 4.1147 4.1147 4.2320 4.2320 4.7539 4.7539 5.2595 5.2595 5.3830 5.3830 8.1344 8.1344 8.1588 8.1588 9.6176 9.6176 15.8472 15.8472 16.8649 16.8649 k = 0.0000 0.0000 0.0000 ( 3877 PWs) bands (ev): -19.1739 -19.1739 -18.4689 -18.4689 -18.4680 -18.4680 -18.2942 -18.2942 -18.1530 -18.1530 -18.1052 -18.1052 -3.2556 -3.2556 -3.2105 -3.2105 -3.1759 -3.1759 -1.9488 -1.9488 -1.8694 -1.8694 -1.6554 -1.6554 -1.3276 -1.3276 -1.0387 -1.0387 -0.8285 -0.8285 0.6495 0.6495 0.8532 0.8532 1.1663 1.1663 1.1876 1.1876 1.4101 1.4101 1.4987 1.4987 1.5061 1.5061 1.5580 1.5580 1.5787 1.5787 2.8789 2.8789 2.9778 2.9778 3.4807 3.4807 4.1139 4.1139 4.2311 4.2311 4.7543 4.7543 5.2595 5.2595 5.3832 5.3832 8.1357 8.1357 8.1601 8.1601 9.6149 9.6149 15.8566 15.8566 16.8607 16.8607 k = 0.0000 0.0000 0.0000 ( 3877 PWs) bands (ev): -19.1739 -19.1739 -18.4689 -18.4689 -18.4680 -18.4680 -18.2942 -18.2942 -18.1530 -18.1530 -18.1052 -18.1052 -3.2556 -3.2556 -3.2105 -3.2105 -3.1759 -3.1759 -1.9488 -1.9488 -1.8694 -1.8694 -1.6554 -1.6554 -1.3276 -1.3276 -1.0387 -1.0387 -0.8285 -0.8285 0.6495 0.6495 0.8532 0.8532 1.1663 1.1663 1.1876 1.1876 1.4101 1.4101 1.4987 1.4987 1.5061 1.5061 1.5580 1.5580 1.5787 1.5787 2.8789 2.8789 2.9778 2.9778 3.4807 3.4807 4.1139 4.1139 4.2311 4.2311 4.7543 4.7543 5.2595 5.2595 5.3832 5.3832 8.1357 8.1357 8.1601 8.1601 9.6149 9.6149 15.8566 15.8566 16.8607 16.8607 k = 0.0078-0.0055-0.0140 ( 3879 PWs) bands (ev): -19.1735 -19.1735 -18.4690 -18.4690 -18.4681 -18.4681 -18.2942 -18.2942 -18.1531 -18.1531 -18.1054 -18.1054 -3.2553 -3.2553 -3.2103 -3.2103 -3.1753 -3.1753 -1.9485 -1.9485 -1.8693 -1.8693 -1.6554 -1.6554 -1.3276 -1.3276 -1.0389 -1.0389 -0.8286 -0.8286 0.6492 0.6492 0.8531 0.8531 1.1657 1.1657 1.1870 1.1870 1.4084 1.4084 1.4982 1.4982 1.5058 1.5058 1.5578 1.5578 1.5778 1.5778 2.8800 2.8800 2.9791 2.9791 3.4818 3.4818 4.1145 4.1145 4.2318 4.2318 4.7540 4.7540 5.2594 5.2594 5.3830 5.3830 8.1347 8.1347 8.1592 8.1592 9.6176 9.6176 15.8590 15.8590 16.8541 16.8541 k = 0.0156-0.0111-0.0281 ( 3883 PWs) bands (ev): -19.1725 -19.1725 -18.4693 -18.4693 -18.4683 -18.4683 -18.2940 -18.2940 -18.1536 -18.1536 -18.1060 -18.1060 -3.2546 -3.2546 -3.2098 -3.2098 -3.1735 -3.1735 -1.9476 -1.9476 -1.8691 -1.8691 -1.6554 -1.6554 -1.3277 -1.3277 -1.0394 -1.0394 -0.8289 -0.8289 0.6486 0.6486 0.8527 0.8527 1.1638 1.1638 1.1853 1.1853 1.4037 1.4037 1.4963 1.4963 1.5054 1.5054 1.5569 1.5569 1.5757 1.5757 2.8835 2.8835 2.9831 2.9831 3.4850 3.4850 4.1163 4.1163 4.2336 4.2336 4.7530 4.7530 5.2592 5.2592 5.3823 5.3823 8.1318 8.1318 8.1565 8.1565 9.6260 9.6260 15.8662 15.8662 16.8349 16.8349 k = 0.0233-0.0166-0.0421 ( 3871 PWs) bands (ev): -19.1707 -19.1707 -18.4698 -18.4698 -18.4685 -18.4685 -18.2936 -18.2936 -18.1543 -18.1543 -18.1070 -18.1070 -3.2534 -3.2534 -3.2091 -3.2091 -3.1704 -3.1704 -1.9461 -1.9461 -1.8687 -1.8687 -1.6553 -1.6553 -1.3278 -1.3278 -1.0402 -1.0402 -0.8293 -0.8293 0.6475 0.6475 0.8521 0.8521 1.1605 1.1605 1.1829 1.1829 1.3965 1.3965 1.4919 1.4919 1.5047 1.5047 1.5551 1.5551 1.5735 1.5735 2.8892 2.8892 2.9897 2.9897 3.4903 3.4903 4.1192 4.1192 4.2369 4.2369 4.7514 4.7514 5.2588 5.2588 5.3811 5.3811 8.1268 8.1268 8.1524 8.1524 9.6399 9.6399 15.8780 15.8780 16.8040 16.8040 k = 0.0311-0.0221-0.0561 ( 3877 PWs) bands (ev): -19.1682 -19.1682 -18.4705 -18.4705 -18.4688 -18.4688 -18.2932 -18.2932 -18.1553 -18.1553 -18.1084 -18.1084 -3.2520 -3.2520 -3.2083 -3.2083 -3.1659 -3.1659 -1.9442 -1.9442 -1.8681 -1.8681 -1.6551 -1.6551 -1.3282 -1.3282 -1.0412 -1.0412 -0.8299 -0.8299 0.6459 0.6459 0.8511 0.8511 1.1553 1.1553 1.1799 1.1799 1.3872 1.3872 1.4846 1.4846 1.5029 1.5029 1.5516 1.5516 1.5730 1.5730 2.8970 2.8970 2.9988 2.9988 3.4976 3.4976 4.1230 4.1230 4.2414 4.2414 4.7492 4.7492 5.2583 5.2583 5.3796 5.3796 8.1191 8.1191 8.1471 8.1471 9.6593 9.6593 15.8945 15.8945 16.7630 16.7630 k = 0.0389-0.0277-0.0702 ( 3875 PWs) bands (ev): -19.1650 -19.1650 -18.4715 -18.4715 -18.4691 -18.4691 -18.2927 -18.2927 -18.1566 -18.1566 -18.1101 -18.1101 -3.2504 -3.2504 -3.2073 -3.2073 -3.1598 -3.1598 -1.9418 -1.9418 -1.8671 -1.8671 -1.6547 -1.6547 -1.3290 -1.3290 -1.0423 -1.0423 -0.8306 -0.8306 0.6437 0.6437 0.8495 0.8495 1.1478 1.1478 1.1766 1.1766 1.3765 1.3765 1.4746 1.4746 1.4992 1.4992 1.5468 1.5468 1.5746 1.5746 2.9066 2.9066 3.0103 3.0103 3.5069 3.5069 4.1277 4.1277 4.2473 4.2473 4.7465 4.7465 5.2578 5.2578 5.3776 5.3776 8.1088 8.1088 8.1410 8.1410 9.6842 9.6842 15.9153 15.9153 16.7134 16.7134 k = 0.0467-0.0332-0.0842 ( 3877 PWs) bands (ev): -19.1611 -19.1611 -18.4728 -18.4728 -18.4694 -18.4694 -18.2921 -18.2921 -18.1583 -18.1583 -18.1121 -18.1121 -3.2488 -3.2488 -3.2061 -3.2061 -3.1521 -3.1521 -1.9391 -1.9391 -1.8656 -1.8656 -1.6540 -1.6540 -1.3305 -1.3305 -1.0434 -1.0434 -0.8312 -0.8312 0.6407 0.6407 0.8471 0.8471 1.1380 1.1380 1.1733 1.1733 1.3648 1.3648 1.4621 1.4621 1.4933 1.4933 1.5419 1.5419 1.5781 1.5781 2.9180 2.9180 3.0241 3.0241 3.5181 3.5181 4.1329 4.1329 4.2545 4.2545 4.7431 4.7431 5.2572 5.2572 5.3753 5.3753 8.0956 8.0956 8.1343 8.1343 9.7145 9.7145 15.9401 15.9401 16.6566 16.6566 k = 0.0545-0.0387-0.0982 ( 3877 PWs) bands (ev): -19.1565 -19.1565 -18.4742 -18.4742 -18.4697 -18.4697 -18.2915 -18.2915 -18.1603 -18.1603 -18.1143 -18.1143 -3.2474 -3.2474 -3.2046 -3.2046 -3.1427 -3.1427 -1.9362 -1.9362 -1.8636 -1.8636 -1.6529 -1.6529 -1.3327 -1.3327 -1.0443 -1.0443 -0.8318 -0.8318 0.6367 0.6367 0.8438 0.8438 1.1255 1.1255 1.1698 1.1698 1.3525 1.3525 1.4478 1.4478 1.4852 1.4852 1.5372 1.5372 1.5827 1.5827 2.9309 2.9309 3.0399 3.0399 3.5312 3.5312 4.1384 4.1384 4.2630 4.2630 4.7391 4.7391 5.2567 5.2567 5.3728 5.3728 8.0796 8.0796 8.1268 8.1268 9.7500 9.7500 15.9685 15.9685 16.5943 16.5943 k = 0.0623-0.0443-0.1122 ( 3875 PWs) bands (ev): -19.1512 -19.1512 -18.4757 -18.4757 -18.4701 -18.4701 -18.2910 -18.2910 -18.1627 -18.1627 -18.1167 -18.1167 -3.2465 -3.2465 -3.2026 -3.2026 -3.1317 -3.1317 -1.9332 -1.9332 -1.8610 -1.8610 -1.6512 -1.6512 -1.3361 -1.3361 -1.0448 -1.0448 -0.8321 -0.8321 0.6317 0.6317 0.8393 0.8393 1.1104 1.1104 1.1660 1.1660 1.3399 1.3399 1.4325 1.4325 1.4752 1.4752 1.5330 1.5330 1.5880 1.5880 2.9452 2.9452 3.0576 3.0576 3.5459 3.5459 4.1442 4.1442 4.2728 4.2728 4.7347 4.7347 5.2562 5.2562 5.3702 5.3702 8.0611 8.0611 8.1186 8.1186 9.7908 9.7908 15.9995 15.9995 16.5281 16.5281 k = 0.0700-0.0498-0.1263 ( 3877 PWs) bands (ev): -19.1453 -19.1453 -18.4775 -18.4775 -18.4706 -18.4706 -18.2905 -18.2905 -18.1655 -18.1655 -18.1192 -18.1192 -3.2463 -3.2463 -3.2000 -3.2000 -3.1192 -3.1192 -1.9301 -1.9301 -1.8577 -1.8577 -1.6489 -1.6489 -1.3407 -1.3407 -1.0449 -1.0449 -0.8323 -0.8323 0.6251 0.6251 0.8336 0.8336 1.0927 1.0927 1.1619 1.1619 1.3275 1.3275 1.4173 1.4173 1.4638 1.4638 1.5289 1.5289 1.5935 1.5935 2.9607 2.9607 3.0769 3.0769 3.5623 3.5623 4.1499 4.1499 4.2836 4.2836 4.7297 4.7297 5.2559 5.2559 5.3675 5.3675 8.0402 8.0402 8.1096 8.1096 9.8366 9.8366 16.0315 16.0315 16.4604 16.4604 k = 0.0778-0.0553-0.1403 ( 3887 PWs) bands (ev): -19.1387 -19.1387 -18.4793 -18.4793 -18.4712 -18.4712 -18.2901 -18.2901 -18.1686 -18.1686 -18.1217 -18.1217 -3.2468 -3.2468 -3.1968 -3.1968 -3.1051 -3.1051 -1.9270 -1.9270 -1.8537 -1.8537 -1.6457 -1.6457 -1.3467 -1.3467 -1.0444 -1.0444 -0.8321 -0.8321 0.6168 0.6168 0.8265 0.8265 1.0724 1.0724 1.1572 1.1572 1.3156 1.3156 1.4028 1.4028 1.4512 1.4512 1.5249 1.5249 1.5991 1.5991 2.9772 2.9772 3.0977 3.0977 3.5801 3.5801 4.1555 4.1555 4.2952 4.2952 4.7244 4.7244 5.2557 5.2557 5.3649 5.3649 8.0171 8.0171 8.0997 8.0997 9.8874 9.8874 16.0606 16.0606 16.3953 16.3953 k = 0.0856-0.0609-0.1543 ( 3889 PWs) bands (ev): -19.1315 -19.1315 -18.4813 -18.4813 -18.4718 -18.4718 -18.2899 -18.2899 -18.1721 -18.1721 -18.1242 -18.1242 -3.2482 -3.2482 -3.1928 -3.1928 -3.0895 -3.0895 -1.9239 -1.9239 -1.8491 -1.8491 -1.6414 -1.6414 -1.3542 -1.3542 -1.0434 -1.0434 -0.8315 -0.8315 0.6063 0.6063 0.8180 0.8180 1.0499 1.0499 1.1518 1.1518 1.3043 1.3043 1.3900 1.3900 1.4377 1.4377 1.5208 1.5208 1.6045 1.6045 2.9946 2.9946 3.1196 3.1196 3.5994 3.5994 4.1609 4.1609 4.3075 4.3075 4.7186 4.7186 5.2557 5.2557 5.3626 5.3626 7.9920 7.9920 8.0889 8.0889 9.9430 9.9430 16.0780 16.0780 16.3418 16.3418 k = 0.0934-0.0664-0.1684 ( 3889 PWs) bands (ev): -19.1237 -19.1237 -18.4833 -18.4833 -18.4726 -18.4726 -18.2900 -18.2900 -18.1760 -18.1760 -18.1267 -18.1267 -3.2504 -3.2504 -3.1883 -3.1883 -3.0726 -3.0726 -1.9207 -1.9207 -1.8439 -1.8439 -1.6361 -1.6361 -1.3630 -1.3630 -1.0419 -1.0419 -0.8303 -0.8303 0.5932 0.5932 0.8081 0.8081 1.0258 1.0258 1.1454 1.1454 1.2941 1.2941 1.3791 1.3791 1.4236 1.4236 1.5166 1.5166 1.6096 1.6096 3.0129 3.0129 3.1424 3.1424 3.6199 3.6199 4.1660 4.1660 4.3199 4.3199 4.7126 4.7126 5.2560 5.2560 5.3608 5.3608 7.9650 7.9650 8.0771 8.0771 10.0033 10.0033 16.0675 16.0675 16.3155 16.3155 k = 0.1012-0.0719-0.1824 ( 3893 PWs) bands (ev): -19.1153 -19.1153 -18.4853 -18.4853 -18.4734 -18.4734 -18.2903 -18.2903 -18.1801 -18.1801 -18.1291 -18.1291 -3.2534 -3.2534 -3.1833 -3.1833 -3.0544 -3.0544 -1.9174 -1.9174 -1.8383 -1.8383 -1.6294 -1.6294 -1.3732 -1.3732 -1.0400 -1.0400 -0.8286 -0.8286 0.5769 0.5769 0.7968 0.7968 1.0006 1.0006 1.1380 1.1380 1.2848 1.2848 1.3704 1.3704 1.4090 1.4090 1.5122 1.5122 1.6144 1.6144 3.0318 3.0318 3.1661 3.1661 3.6415 3.6415 4.1708 4.1708 4.3322 4.3322 4.7063 4.7063 5.2564 5.2564 5.3597 5.3597 7.9365 7.9365 8.0645 8.0645 10.0681 10.0681 16.0214 16.0214 16.3219 16.3219 k = 0.1090-0.0775-0.1964 ( 3897 PWs) bands (ev): -19.1063 -19.1063 -18.4875 -18.4875 -18.4744 -18.4744 -18.2910 -18.2910 -18.1844 -18.1844 -18.1315 -18.1315 -3.2570 -3.2570 -3.1780 -3.1780 -3.0350 -3.0350 -1.9139 -1.9139 -1.8324 -1.8324 -1.6214 -1.6214 -1.3845 -1.3845 -1.0378 -1.0378 -0.8262 -0.8262 0.5572 0.5572 0.7844 0.7844 0.9751 0.9751 1.1293 1.1293 1.2766 1.2766 1.3638 1.3638 1.3944 1.3944 1.5077 1.5077 1.6186 1.6186 3.0514 3.0514 3.1903 3.1903 3.6641 3.6641 4.1752 4.1752 4.3438 4.3438 4.7000 4.7000 5.2569 5.2569 5.3596 5.3596 7.9066 7.9066 8.0509 8.0509 10.1372 10.1372 15.9523 15.9523 16.3420 16.3420 k = 0.1167-0.0830-0.2105 ( 3899 PWs) bands (ev): -19.0967 -19.0967 -18.4897 -18.4897 -18.4755 -18.4755 -18.2922 -18.2922 -18.1888 -18.1888 -18.1337 -18.1337 -3.2613 -3.2613 -3.1724 -3.1724 -3.0146 -3.0146 -1.9101 -1.9101 -1.8262 -1.8262 -1.6121 -1.6121 -1.3967 -1.3967 -1.0356 -1.0356 -0.8230 -0.8230 0.5337 0.5337 0.7710 0.7710 0.9501 0.9501 1.1192 1.1192 1.2695 1.2695 1.3589 1.3589 1.3804 1.3804 1.5029 1.5029 1.6223 1.6223 3.0714 3.0714 3.2150 3.2150 3.6876 3.6876 4.1792 4.1792 4.3545 4.3545 4.6937 4.6937 5.2574 5.2574 5.3608 5.3608 7.8755 7.8755 8.0364 8.0364 10.2104 10.2104 15.8720 15.8720 16.3448 16.3448 k = 0.1245-0.0885-0.2245 ( 3897 PWs) bands (ev): -19.0867 -19.0867 -18.4919 -18.4919 -18.4767 -18.4767 -18.2938 -18.2938 -18.1932 -18.1932 -18.1358 -18.1358 -3.2663 -3.2663 -3.1667 -3.1667 -2.9931 -2.9931 -1.9060 -1.9060 -1.8199 -1.8199 -1.6015 -1.6015 -1.4093 -1.4093 -1.0335 -1.0335 -0.8191 -0.8191 0.5065 0.5065 0.7567 0.7567 0.9261 0.9261 1.1077 1.1077 1.2633 1.2633 1.3537 1.3537 1.3689 1.3689 1.4980 1.4980 1.6254 1.6254 3.0919 3.0919 3.2398 3.2398 3.7119 3.7119 4.1828 4.1828 4.3637 4.3637 4.6875 4.6875 5.2579 5.2579 5.3636 5.3636 7.8435 7.8435 8.0210 8.0210 10.2876 10.2876 15.7863 15.7863 16.3070 16.3070 k = 0.1323-0.0941-0.2385 ( 3891 PWs) bands (ev): -19.0761 -19.0761 -18.4942 -18.4942 -18.4781 -18.4781 -18.2959 -18.2959 -18.1975 -18.1975 -18.1378 -18.1378 -3.2718 -3.2718 -3.1610 -3.1610 -2.9708 -2.9708 -1.9014 -1.9014 -1.8135 -1.8135 -1.5899 -1.5899 -1.4218 -1.4218 -1.0318 -1.0318 -0.8144 -0.8144 0.4757 0.4757 0.7417 0.7417 0.9035 0.9035 1.0950 1.0950 1.2576 1.2576 1.3446 1.3446 1.3635 1.3635 1.4929 1.4929 1.6279 1.6279 3.1127 3.1127 3.2648 3.2648 3.7368 3.7368 4.1861 4.1861 4.3712 4.3712 4.6815 4.6815 5.2581 5.2581 5.3681 5.3681 7.8110 7.8110 8.0047 8.0047 10.3686 10.3686 15.6976 15.6976 16.2427 16.2427 k = 0.1401-0.0996-0.2526 ( 3891 PWs) bands (ev): -19.0651 -19.0651 -18.4965 -18.4965 -18.4796 -18.4796 -18.2986 -18.2986 -18.2016 -18.2016 -18.1398 -18.1398 -3.2779 -3.2779 -3.1554 -3.1554 -2.9478 -2.9478 -1.8966 -1.8966 -1.8067 -1.8067 -1.5777 -1.5777 -1.4337 -1.4337 -1.0305 -1.0305 -0.8090 -0.8090 0.4417 0.4417 0.7260 0.7260 0.8826 0.8826 1.0811 1.0811 1.2521 1.2521 1.3334 1.3334 1.3628 1.3628 1.4877 1.4877 1.6297 1.6297 3.1336 3.1336 3.2898 3.2898 3.7622 3.7622 4.1889 4.1889 4.3765 4.3765 4.6759 4.6759 5.2581 5.2581 5.3745 5.3745 7.7780 7.7780 7.9875 7.9875 10.4532 10.4532 15.6073 15.6073 16.1686 16.1686 k = 0.1479-0.1051-0.2666 ( 3889 PWs) bands (ev): -19.0537 -19.0537 -18.4989 -18.4989 -18.4813 -18.4813 -18.3018 -18.3018 -18.2055 -18.2055 -18.1416 -18.1416 -3.2845 -3.2845 -3.1499 -3.1499 -2.9242 -2.9242 -1.8914 -1.8914 -1.7996 -1.7996 -1.5659 -1.5659 -1.4439 -1.4439 -1.0298 -1.0298 -0.8029 -0.8029 0.4054 0.4054 0.7097 0.7097 0.8633 0.8633 1.0661 1.0661 1.2458 1.2458 1.3232 1.3232 1.3642 1.3642 1.4824 1.4824 1.6308 1.6308 3.1547 3.1547 3.3146 3.3146 3.7879 3.7879 4.1913 4.1913 4.3796 4.3796 4.6707 4.6707 5.2578 5.2578 5.3828 5.3828 7.7451 7.7451 7.9694 7.9694 10.5412 10.5412 15.5160 15.5160 16.0910 16.0910 k = 0.1557-0.1107-0.2806 ( 3889 PWs) bands (ev): -19.0418 -19.0418 -18.5015 -18.5015 -18.4831 -18.4831 -18.3055 -18.3055 -18.2091 -18.2091 -18.1434 -18.1434 -3.2917 -3.2917 -3.1447 -3.1447 -2.9002 -2.9002 -1.8860 -1.8860 -1.7920 -1.7920 -1.5558 -1.5558 -1.4509 -1.4509 -1.0298 -1.0298 -0.7964 -0.7964 0.3676 0.3676 0.6927 0.6927 0.8455 0.8455 1.0505 1.0505 1.2378 1.2378 1.3155 1.3155 1.3664 1.3664 1.4770 1.4770 1.6312 1.6312 3.1758 3.1758 3.3390 3.3390 3.8140 3.8140 4.1933 4.1933 4.3802 4.3802 4.6658 4.6658 5.2573 5.2573 5.3929 5.3929 7.7124 7.7124 7.9505 7.9505 10.6324 10.6324 15.4245 15.4245 16.0122 16.0122 k = 0.1634-0.1162-0.2947 ( 3883 PWs) bands (ev): -19.0296 -19.0296 -18.5042 -18.5042 -18.4850 -18.4850 -18.3096 -18.3096 -18.2124 -18.2124 -18.1451 -18.1451 -3.2995 -3.2995 -3.1397 -3.1397 -2.8758 -2.8758 -1.8805 -1.8805 -1.7837 -1.7837 -1.5492 -1.5492 -1.4526 -1.4526 -1.0304 -1.0304 -0.7896 -0.7896 0.3290 0.3290 0.6752 0.6752 0.8290 0.8290 1.0342 1.0342 1.2278 1.2278 1.3109 1.3109 1.3692 1.3692 1.4715 1.4715 1.6309 1.6309 3.1968 3.1968 3.3631 3.3631 3.8401 3.8401 4.1949 4.1949 4.3785 4.3785 4.6613 4.6613 5.2567 5.2567 5.4044 5.4044 7.6804 7.6804 7.9308 7.9308 10.7266 10.7266 15.3329 15.3329 15.9334 15.9334 k = 0.1712-0.1217-0.3087 ( 3877 PWs) bands (ev): -19.0171 -19.0171 -18.5072 -18.5072 -18.4870 -18.4870 -18.3140 -18.3140 -18.2154 -18.2154 -18.1468 -18.1468 -3.3078 -3.3078 -3.1351 -3.1351 -2.8514 -2.8514 -1.8750 -1.8750 -1.7745 -1.7745 -1.5476 -1.5476 -1.4477 -1.4477 -1.0318 -1.0318 -0.7828 -0.7828 0.2907 0.2907 0.6572 0.6572 0.8135 0.8135 1.0176 1.0176 1.2156 1.2156 1.3094 1.3094 1.3722 1.3722 1.4660 1.4660 1.6297 1.6297 3.2177 3.2177 3.3866 3.3866 3.8662 3.8662 4.1962 4.1962 4.3745 4.3745 4.6571 4.6571 5.2562 5.2562 5.4171 5.4171 7.6493 7.6493 7.9102 7.9102 10.8236 10.8236 15.2416 15.2416 15.8550 15.8550 k = 0.1790-0.1273-0.3227 ( 3883 PWs) bands (ev): -19.0042 -19.0042 -18.5106 -18.5106 -18.4890 -18.4890 -18.3186 -18.3186 -18.2182 -18.2182 -18.1484 -18.1484 -3.3166 -3.3166 -3.1310 -3.1310 -2.8270 -2.8270 -1.8697 -1.8697 -1.7644 -1.7644 -1.5502 -1.5502 -1.4368 -1.4368 -1.0339 -1.0339 -0.7761 -0.7761 0.2535 0.2535 0.6388 0.6388 0.7988 0.7988 1.0008 1.0008 1.2018 1.2018 1.3103 1.3103 1.3751 1.3751 1.4605 1.4605 1.6278 1.6278 3.2382 3.2382 3.4094 3.4094 3.8921 3.8921 4.1971 4.1971 4.3685 4.3685 4.6531 4.6531 5.2558 5.2558 5.4305 5.4305 7.6196 7.6196 7.8890 7.8890 10.9234 10.9234 15.1510 15.1510 15.7775 15.7775 k = 0.1868-0.1328-0.3367 ( 3883 PWs) bands (ev): -18.9911 -18.9911 -18.5145 -18.5145 -18.4909 -18.4909 -18.3233 -18.3233 -18.2208 -18.2208 -18.1499 -18.1499 -3.3260 -3.3260 -3.1272 -3.1272 -2.8029 -2.8029 -1.8645 -1.8645 -1.7531 -1.7531 -1.5551 -1.5551 -1.4217 -1.4217 -1.0365 -1.0365 -0.7699 -0.7699 0.2183 0.2183 0.6202 0.6202 0.7847 0.7847 0.9840 0.9840 1.1869 1.1869 1.3131 1.3131 1.3778 1.3778 1.4550 1.4550 1.6252 1.6252 3.2585 3.2585 3.4313 3.4313 3.9176 3.9176 4.1978 4.1978 4.3608 4.3608 4.6492 4.6492 5.2557 5.2557 5.4443 5.4443 7.5917 7.5917 7.8670 7.8670 11.0256 11.0256 15.0611 15.0611 15.7010 15.7010 k = 0.1946-0.1383-0.3508 ( 3879 PWs) bands (ev): -18.9779 -18.9779 -18.5190 -18.5190 -18.4927 -18.4927 -18.3279 -18.3279 -18.2232 -18.2232 -18.1515 -18.1515 -3.3360 -3.3360 -3.1240 -3.1240 -2.7793 -2.7793 -1.8595 -1.8595 -1.7407 -1.7407 -1.5606 -1.5606 -1.4043 -1.4043 -1.0397 -1.0397 -0.7644 -0.7644 0.1858 0.1858 0.6015 0.6015 0.7710 0.7710 0.9672 0.9672 1.1713 1.1713 1.3171 1.3171 1.3803 1.3803 1.4495 1.4495 1.6217 1.6217 3.2782 3.2782 3.4523 3.4523 3.9425 3.9425 4.1983 4.1983 4.3517 4.3517 4.6454 4.6454 5.2559 5.2559 5.4578 5.4578 7.5658 7.5658 7.8443 7.8443 11.1302 11.1302 14.9722 14.9722 15.6257 15.6257 k = 0.2024-0.1439-0.3648 ( 3873 PWs) bands (ev): -18.9644 -18.9644 -18.5242 -18.5242 -18.4942 -18.4942 -18.3322 -18.3322 -18.2254 -18.2254 -18.1530 -18.1530 -3.3464 -3.3464 -3.1213 -3.1213 -2.7564 -2.7564 -1.8546 -1.8546 -1.7273 -1.7273 -1.5654 -1.5654 -1.3859 -1.3859 -1.0433 -1.0433 -0.7597 -0.7597 0.1569 0.1569 0.5828 0.5828 0.7576 0.7576 0.9508 0.9508 1.1553 1.1553 1.3219 1.3219 1.3822 1.3822 1.4442 1.4442 1.6174 1.6174 3.2973 3.2973 3.4723 3.4723 3.9664 3.9664 4.1988 4.1988 4.3418 4.3418 4.6415 4.6415 5.2566 5.2566 5.4707 5.4707 7.5425 7.5425 7.8210 7.8210 11.2369 11.2369 14.8845 14.8845 15.5518 15.5518 k = 0.2101-0.1494-0.3788 ( 3873 PWs) bands (ev): -18.9509 -18.9509 -18.5301 -18.5301 -18.4955 -18.4955 -18.3363 -18.3363 -18.2276 -18.2276 -18.1545 -18.1545 -3.3575 -3.3575 -3.1191 -3.1191 -2.7344 -2.7344 -1.8498 -1.8498 -1.7132 -1.7132 -1.5687 -1.5687 -1.3674 -1.3674 -1.0472 -1.0472 -0.7560 -0.7560 0.1321 0.1321 0.5642 0.5642 0.7443 0.7443 0.9346 0.9346 1.1391 1.1391 1.3271 1.3271 1.3835 1.3835 1.4392 1.4392 1.6123 1.6123 3.3158 3.3158 3.4909 3.4909 3.9890 3.9890 4.1994 4.1994 4.3314 4.3314 4.6374 4.6374 5.2576 5.2576 5.4825 5.4825 7.5220 7.5220 7.7971 7.7971 11.3455 11.3455 14.7981 14.7981 15.4793 15.4793 k = 0.2179-0.1549-0.3929 ( 3873 PWs) bands (ev): -18.9373 -18.9373 -18.5367 -18.5367 -18.4966 -18.4966 -18.3400 -18.3400 -18.2296 -18.2296 -18.1560 -18.1560 -3.3690 -3.3690 -3.1175 -3.1175 -2.7136 -2.7136 -1.8449 -1.8449 -1.6986 -1.6986 -1.5700 -1.5700 -1.3495 -1.3495 -1.0512 -1.0512 -0.7532 -0.7532 0.1119 0.1119 0.5459 0.5459 0.7312 0.7312 0.9190 0.9190 1.1228 1.1228 1.3323 1.3323 1.3841 1.3841 1.4347 1.4347 1.6064 1.6064 3.3334 3.3334 3.5082 3.5082 4.0099 4.0099 4.2002 4.2002 4.3211 4.3211 4.6333 4.6333 5.2590 5.2590 5.4927 5.4927 7.5048 7.5048 7.7726 7.7726 11.4560 11.4560 14.7132 14.7132 15.4084 15.4084 k = 0.2257-0.1605-0.4069 ( 3873 PWs) bands (ev): -18.9236 -18.9236 -18.5439 -18.5439 -18.4974 -18.4974 -18.3432 -18.3432 -18.2316 -18.2316 -18.1576 -18.1576 -3.3811 -3.3811 -3.1165 -3.1165 -2.6942 -2.6942 -1.8396 -1.8396 -1.6840 -1.6840 -1.5686 -1.5686 -1.3330 -1.3330 -1.0549 -1.0549 -0.7511 -0.7511 0.0967 0.0967 0.5278 0.5278 0.7183 0.7183 0.9039 0.9039 1.1067 1.1067 1.3369 1.3369 1.3836 1.3836 1.4311 1.4311 1.5997 1.5997 3.3500 3.3500 3.5240 3.5240 4.0286 4.0286 4.2015 4.2015 4.3115 4.3115 4.6291 4.6291 5.2609 5.2609 5.5009 5.5009 7.4910 7.4910 7.7477 7.7477 11.5682 11.5682 14.6299 14.6299 15.3391 15.3391 k = 0.2335-0.1660-0.4209 ( 3863 PWs) bands (ev): -18.9101 -18.9101 -18.5518 -18.5518 -18.4979 -18.4979 -18.3460 -18.3460 -18.2336 -18.2336 -18.1591 -18.1591 -3.3936 -3.3936 -3.1161 -3.1161 -2.6764 -2.6764 -1.8337 -1.8337 -1.6700 -1.6700 -1.5642 -1.5642 -1.3185 -1.3185 -1.0581 -1.0581 -0.7496 -0.7496 0.0865 0.0865 0.5100 0.5100 0.7057 0.7057 0.8895 0.8895 1.0907 1.0907 1.3407 1.3407 1.3819 1.3819 1.4289 1.4289 1.5922 1.5922 3.3656 3.3656 3.5382 3.5382 4.0444 4.0444 4.2034 4.2034 4.3035 4.3035 4.6248 4.6248 5.2633 5.2633 5.5068 5.5068 7.4811 7.4811 7.7224 7.7224 11.6819 11.6819 14.5484 14.5484 15.2716 15.2716 k = 0.2413-0.1715-0.4350 ( 3867 PWs) bands (ev): -18.8967 -18.8967 -18.5602 -18.5602 -18.4983 -18.4983 -18.3483 -18.3483 -18.2355 -18.2355 -18.1607 -18.1607 -3.4067 -3.4067 -3.1162 -3.1162 -2.6603 -2.6603 -1.8269 -1.8269 -1.6574 -1.6574 -1.5564 -1.5564 -1.3066 -1.3066 -1.0601 -1.0601 -0.7481 -0.7481 0.0812 0.0812 0.4926 0.4926 0.6933 0.6933 0.8759 0.8759 1.0749 1.0749 1.3428 1.3428 1.3791 1.3791 1.4283 1.4283 1.5839 1.5839 3.3798 3.3798 3.5506 3.5506 4.0567 4.0567 4.2058 4.2058 4.2978 4.2978 4.6204 4.6204 5.2660 5.2660 5.5101 5.5101 7.4750 7.4750 7.6967 7.6967 11.7970 11.7970 14.4687 14.4687 15.2058 15.2058 k = 0.2491-0.1771-0.4490 ( 3870 PWs) bands (ev): -18.8834 -18.8834 -18.5690 -18.5690 -18.4984 -18.4984 -18.3500 -18.3500 -18.2374 -18.2374 -18.1624 -18.1624 -3.4203 -3.4203 -3.1169 -3.1169 -2.6463 -2.6463 -1.8191 -1.8191 -1.6466 -1.6466 -1.5450 -1.5450 -1.2979 -1.2979 -1.0605 -1.0605 -0.7463 -0.7463 0.0807 0.0807 0.4756 0.4756 0.6814 0.6814 0.8632 0.8632 1.0594 1.0594 1.3425 1.3425 1.3757 1.3757 1.4295 1.4295 1.5749 1.5749 3.3925 3.3925 3.5611 3.5611 4.0651 4.0651 4.2085 4.2085 4.2953 4.2953 4.6161 4.6161 5.2690 5.2690 5.5107 5.5107 7.4731 7.4731 7.6707 7.6707 11.9132 11.9132 14.3909 14.3909 15.1419 15.1419 k = 0.2568-0.1826-0.4630 ( 3862 PWs) bands (ev): -18.8705 -18.8705 -18.5781 -18.5781 -18.4983 -18.4983 -18.3513 -18.3513 -18.2392 -18.2392 -18.1641 -18.1641 -3.4343 -3.4343 -3.1182 -3.1182 -2.6343 -2.6343 -1.8099 -1.8099 -1.6381 -1.6381 -1.5303 -1.5303 -1.2925 -1.2925 -1.0590 -1.0590 -0.7437 -0.7437 0.0844 0.0844 0.4591 0.4591 0.6701 0.6701 0.8515 0.8515 1.0443 1.0443 1.3390 1.3390 1.3726 1.3726 1.4323 1.4323 1.5651 1.5651 3.4036 3.4036 3.5698 3.5698 4.0697 4.0697 4.2111 4.2111 4.2968 4.2968 4.6120 4.6120 5.2724 5.2724 5.5085 5.5085 7.4751 7.4751 7.6446 7.6446 12.0306 12.0306 14.3153 14.3153 15.0798 15.0798 k = 0.2646-0.1881-0.4771 ( 3860 PWs) bands (ev): -18.8579 -18.8579 -18.5874 -18.5874 -18.4980 -18.4980 -18.3522 -18.3522 -18.2409 -18.2409 -18.1659 -18.1659 -3.4487 -3.4487 -3.1200 -3.1200 -2.6244 -2.6244 -1.7992 -1.7992 -1.6318 -1.6318 -1.5129 -1.5129 -1.2902 -1.2902 -1.0554 -1.0554 -0.7398 -0.7398 0.0920 0.0920 0.4430 0.4430 0.6595 0.6595 0.8411 0.8411 1.0297 1.0297 1.3322 1.3322 1.3700 1.3700 1.4362 1.4362 1.5546 1.5546 3.4127 3.4127 3.5766 3.5766 4.0706 4.0706 4.2133 4.2133 4.3022 4.3022 4.6080 4.6080 5.2760 5.2760 5.5035 5.5035 7.4810 7.4810 7.6185 7.6185 12.1488 12.1488 14.2418 14.2418 15.0196 15.0196 k = 0.2724-0.1937-0.4911 ( 3860 PWs) bands (ev): -18.8457 -18.8457 -18.5968 -18.5968 -18.4976 -18.4976 -18.3527 -18.3527 -18.2425 -18.2425 -18.1677 -18.1677 -3.4635 -3.4635 -3.1224 -3.1224 -2.6166 -2.6166 -1.7869 -1.7869 -1.6279 -1.6279 -1.4934 -1.4934 -1.2900 -1.2900 -1.0499 -1.0499 -0.7344 -0.7344 0.1026 0.1026 0.4274 0.4274 0.6499 0.6499 0.8319 0.8319 1.0155 1.0155 1.3225 1.3225 1.3679 1.3679 1.4410 1.4410 1.5436 1.5436 3.4196 3.4196 3.5816 3.5816 4.0686 4.0686 4.2152 4.2152 4.3109 4.3109 4.6043 4.6043 5.2798 5.2798 5.4959 5.4959 7.4904 7.4904 7.5927 7.5927 12.2678 12.2678 14.1706 14.1706 14.9613 14.9613 k = 0.2802-0.1992-0.5051 ( 3866 PWs) bands (ev): -18.8341 -18.8341 -18.6061 -18.6061 -18.4969 -18.4969 -18.3528 -18.3528 -18.2441 -18.2441 -18.1697 -18.1697 -3.4787 -3.4787 -3.1253 -3.1253 -2.6110 -2.6110 -1.7730 -1.7730 -1.6265 -1.6265 -1.4726 -1.4726 -1.2910 -1.2910 -1.0427 -1.0427 -0.7273 -0.7273 0.1158 0.1158 0.4123 0.4123 0.6413 0.6413 0.8243 0.8243 1.0018 1.0018 1.3104 1.3104 1.3658 1.3658 1.4461 1.4461 1.5320 1.5320 3.4240 3.4240 3.5851 3.5851 4.0644 4.0644 4.2171 4.2171 4.3219 4.3219 4.6010 4.6010 5.2837 5.2837 5.4859 5.4859 7.5023 7.5023 7.5682 7.5682 12.3874 12.3874 14.1018 14.1018 14.9051 14.9051 k = 0.2880-0.2047-0.5192 ( 3860 PWs) bands (ev): -18.8233 -18.8233 -18.6151 -18.6151 -18.4961 -18.4961 -18.3526 -18.3526 -18.2455 -18.2455 -18.1717 -18.1717 -3.4943 -3.4943 -3.1286 -3.1286 -2.6074 -2.6074 -1.7575 -1.7575 -1.6279 -1.6279 -1.4510 -1.4510 -1.2917 -1.2917 -1.0343 -1.0343 -0.7185 -0.7185 0.1306 0.1306 0.3977 0.3977 0.6341 0.6341 0.8185 0.8185 0.9887 0.9887 1.2965 1.2965 1.3635 1.3635 1.4513 1.4513 1.5201 1.5201 3.4256 3.4256 3.5871 3.5871 4.0586 4.0586 4.2193 4.2193 4.3342 4.3342 4.5981 4.5981 5.2876 5.2876 5.4738 5.4738 7.5116 7.5116 7.5497 7.5497 12.5074 12.5074 14.0355 14.0355 14.8508 14.8508 k = 0.2958-0.2103-0.5332 ( 3858 PWs) bands (ev): -18.8133 -18.8133 -18.6236 -18.6236 -18.4951 -18.4951 -18.3521 -18.3521 -18.2467 -18.2467 -18.1738 -18.1738 -3.5101 -3.5101 -3.1324 -3.1324 -2.6056 -2.6056 -1.7407 -1.7407 -1.6323 -1.6323 -1.4292 -1.4292 -1.2909 -1.2909 -1.0250 -1.0250 -0.7079 -0.7079 0.1465 0.1465 0.3837 0.3837 0.6282 0.6282 0.8147 0.8147 0.9763 0.9763 1.2810 1.2810 1.3608 1.3608 1.4558 1.4558 1.5083 1.5083 3.4242 3.4242 3.5881 3.5881 4.0518 4.0518 4.2219 4.2219 4.3470 4.3470 4.5958 4.5958 5.2915 5.2915 5.4599 5.4599 7.5018 7.5018 7.5536 7.5536 12.6275 12.6275 13.9719 13.9719 14.7987 14.7987 k = 0.3035-0.2158-0.5472 ( 3862 PWs) bands (ev): -18.8044 -18.8044 -18.6314 -18.6314 -18.4939 -18.4939 -18.3515 -18.3515 -18.2478 -18.2478 -18.1759 -18.1759 -3.5261 -3.5261 -3.1366 -3.1366 -2.6056 -2.6056 -1.7229 -1.7229 -1.6395 -1.6395 -1.4075 -1.4075 -1.2874 -1.2874 -1.0151 -1.0151 -0.6959 -0.6959 0.1625 0.1625 0.3703 0.3703 0.6238 0.6238 0.8133 0.8133 0.9647 0.9647 1.2642 1.2642 1.3577 1.3577 1.4586 1.4586 1.4976 1.4976 3.4195 3.4195 3.5883 3.5883 4.0445 4.0445 4.2251 4.2251 4.3595 4.3595 4.5941 4.5941 5.2953 5.2953 5.4447 5.4447 7.4794 7.4794 7.5732 7.5732 12.7476 12.7476 13.9111 13.9111 14.7486 14.7486 k = 0.3113-0.2213-0.5612 ( 3872 PWs) bands (ev): -18.7968 -18.7968 -18.6383 -18.6383 -18.4926 -18.4926 -18.3507 -18.3507 -18.2487 -18.2487 -18.1782 -18.1782 -3.5424 -3.5424 -3.1412 -3.1412 -2.6071 -2.6071 -1.7053 -1.7053 -1.6484 -1.6484 -1.3861 -1.3861 -1.2809 -1.2809 -1.0049 -1.0049 -0.6827 -0.6827 0.1780 0.1780 0.3578 0.3578 0.6208 0.6208 0.8146 0.8146 0.9539 0.9539 1.2462 1.2462 1.3541 1.3541 1.4576 1.4576 1.4901 1.4901 3.4114 3.4114 3.5879 3.5879 4.0368 4.0368 4.2287 4.2287 4.3713 4.3713 4.5931 4.5931 5.2988 5.2988 5.4286 5.4286 7.4547 7.4547 7.5977 7.5977 12.8672 12.8672 13.8534 13.8534 14.7008 14.7008 k = 0.3191-0.2269-0.5753 ( 3876 PWs) bands (ev): -18.7907 -18.7907 -18.6439 -18.6439 -18.4911 -18.4911 -18.3498 -18.3498 -18.2493 -18.2493 -18.1805 -18.1805 -3.5588 -3.5588 -3.1462 -3.1462 -2.6099 -2.6099 -1.6926 -1.6926 -1.6543 -1.6543 -1.3653 -1.3653 -1.2711 -1.2711 -0.9943 -0.9943 -0.6684 -0.6684 0.1921 0.1921 0.3464 0.3464 0.6192 0.6192 0.8187 0.8187 0.9442 0.9442 1.2270 1.2270 1.3499 1.3499 1.4508 1.4508 1.4879 1.4879 3.4000 3.4000 3.5870 3.5870 4.0289 4.0289 4.2328 4.2328 4.3821 4.3821 4.5928 4.5928 5.3021 5.3021 5.4122 5.4122 7.4297 7.4297 7.6249 7.6249 12.9857 12.9857 13.7993 13.7993 14.6551 14.6551 k = 0.3269-0.2324-0.5893 ( 3876 PWs) bands (ev): -18.7864 -18.7864 -18.6481 -18.6481 -18.4895 -18.4895 -18.3490 -18.3490 -18.2496 -18.2496 -18.1829 -18.1829 -3.5752 -3.5752 -3.1514 -3.1514 -2.6139 -2.6139 -1.6958 -1.6958 -1.6457 -1.6457 -1.3450 -1.3450 -1.2583 -1.2583 -0.9834 -0.9834 -0.6535 -0.6535 0.2041 0.2041 0.3365 0.3365 0.6188 0.6188 0.8258 0.8258 0.9358 0.9358 1.2069 1.2069 1.3449 1.3449 1.4398 1.4398 1.4894 1.4894 3.3854 3.3854 3.5859 3.5859 4.0210 4.0210 4.2371 4.2371 4.3917 4.3917 4.5932 4.5932 5.3048 5.3048 5.3959 5.3959 7.4049 7.4049 7.6541 7.6541 13.1023 13.1023 13.7496 13.7496 14.6118 14.6118 k = 0.3347-0.2379-0.6033 ( 3864 PWs) bands (ev): -18.7841 -18.7841 -18.6506 -18.6506 -18.4877 -18.4877 -18.3481 -18.3481 -18.2497 -18.2497 -18.1853 -18.1853 -3.5917 -3.5917 -3.1569 -3.1569 -2.6188 -2.6188 -1.7106 -1.7106 -1.6265 -1.6265 -1.3252 -1.3252 -1.2432 -1.2432 -0.9723 -0.9723 -0.6381 -0.6381 0.2132 0.2132 0.3287 0.3287 0.6194 0.6194 0.8357 0.8357 0.9292 0.9292 1.1860 1.1860 1.3390 1.3390 1.4274 1.4274 1.4921 1.4921 3.3680 3.3680 3.5844 3.5844 4.0131 4.0131 4.2417 4.2417 4.3999 4.3999 4.5943 4.5943 5.3069 5.3069 5.3805 5.3805 7.3806 7.3806 7.6846 7.6846 13.2147 13.2147 13.7061 13.7061 14.5710 14.5710 k = 0.3425-0.2435-0.6174 ( 3862 PWs) bands (ev): -18.7837 -18.7837 -18.6514 -18.6514 -18.4857 -18.4857 -18.3474 -18.3474 -18.2495 -18.2495 -18.1878 -18.1878 -3.6081 -3.6081 -3.1626 -3.1626 -2.6245 -2.6245 -1.7291 -1.7291 -1.6042 -1.6042 -1.3056 -1.3056 -1.2266 -1.2266 -0.9609 -0.9609 -0.6227 -0.6227 0.2186 0.2186 0.3236 0.3236 0.6207 0.6207 0.8474 0.8474 0.9254 0.9254 1.1645 1.1645 1.3319 1.3319 1.4149 1.4149 1.4950 1.4950 3.3479 3.3479 3.5826 3.5826 4.0050 4.0050 4.2463 4.2463 4.4067 4.4067 4.5959 4.5959 5.3077 5.3077 5.3666 5.3666 7.3568 7.3568 7.7161 7.7161 13.3180 13.3180 13.6736 13.6736 14.5329 14.5329 k = 0.3502-0.2490-0.6314 ( 3866 PWs) bands (ev): -18.7851 -18.7851 -18.6506 -18.6506 -18.4836 -18.4836 -18.3468 -18.3468 -18.2490 -18.2490 -18.1902 -18.1902 -3.6244 -3.6244 -3.1685 -3.1685 -2.6309 -2.6309 -1.7492 -1.7492 -1.5805 -1.5805 -1.2863 -1.2863 -1.2089 -1.2089 -0.9493 -0.9493 -0.6074 -0.6074 0.2202 0.2202 0.3216 0.3216 0.6225 0.6225 0.8587 0.8587 0.9264 0.9264 1.1424 1.1424 1.3232 1.3232 1.4031 1.4031 1.4978 1.4978 3.3257 3.3257 3.5805 3.5805 3.9968 3.9968 4.2509 4.2509 4.4122 4.4122 4.5980 4.5980 5.3066 5.3066 5.3552 5.3552 7.3337 7.3337 7.7482 7.7482 13.3992 13.3992 13.6646 13.6646 14.4977 14.4977 k = 0.3580-0.2545-0.6454 ( 3866 PWs) bands (ev): -18.7881 -18.7881 -18.6485 -18.6485 -18.4814 -18.4814 -18.3463 -18.3463 -18.2483 -18.2483 -18.1926 -18.1926 -3.6404 -3.6404 -3.1744 -3.1744 -2.6377 -2.6377 -1.7698 -1.7698 -1.5562 -1.5562 -1.2670 -1.2670 -1.1909 -1.1909 -0.9376 -0.9376 -0.5926 -0.5926 0.2181 0.2181 0.3226 0.3226 0.6248 0.6248 0.8665 0.8665 0.9350 0.9350 1.1203 1.1203 1.3127 1.3127 1.3926 1.3926 1.5001 1.5001 3.3016 3.3016 3.5779 3.5779 3.9885 3.9885 4.2553 4.2553 4.4165 4.4165 4.6004 4.6004 5.3030 5.3030 5.3473 5.3473 7.3114 7.3114 7.7806 7.7806 13.4363 13.4363 13.7005 13.7005 14.4661 14.4661 k = 0.3658-0.2601-0.6595 ( 3866 PWs) bands (ev): -18.7923 -18.7923 -18.6455 -18.6455 -18.4790 -18.4790 -18.3461 -18.3461 -18.2473 -18.2473 -18.1950 -18.1950 -3.6562 -3.6562 -3.1804 -3.1804 -2.6448 -2.6448 -1.7905 -1.7905 -1.5316 -1.5316 -1.2479 -1.2479 -1.1728 -1.1728 -0.9257 -0.9257 -0.5784 -0.5784 0.2134 0.2134 0.3258 0.3258 0.6274 0.6274 0.8695 0.8695 0.9516 0.9516 1.0986 1.0986 1.3002 1.3002 1.3835 1.3835 1.5020 1.5020 3.2760 3.2760 3.5750 3.5750 3.9799 3.9799 4.2595 4.2595 4.4197 4.4197 4.6030 4.6030 5.2969 5.2969 5.3430 5.3430 7.2899 7.2899 7.8129 7.8129 13.4317 13.4317 13.7778 13.7778 14.4389 14.4389 k = 0.6342-0.0021-0.4839 ( 3866 PWs) bands (ev): -18.7924 -18.7924 -18.6453 -18.6453 -18.4790 -18.4790 -18.3460 -18.3460 -18.2472 -18.2472 -18.1952 -18.1952 -3.6562 -3.6562 -3.1805 -3.1805 -2.6448 -2.6448 -1.7906 -1.7906 -1.5316 -1.5316 -1.2480 -1.2480 -1.1728 -1.1728 -0.9257 -0.9257 -0.5783 -0.5783 0.2134 0.2134 0.3259 0.3259 0.6274 0.6274 0.8694 0.8694 0.9517 0.9517 1.0987 1.0987 1.3001 1.3001 1.3834 1.3834 1.5020 1.5020 3.2759 3.2759 3.5750 3.5750 3.9799 3.9799 4.2594 4.2594 4.4198 4.4198 4.6030 4.6030 5.2969 5.2969 5.3430 5.3430 7.2900 7.2900 7.8128 7.8128 13.4318 13.4318 13.7778 13.7778 14.4389 14.4389 k = 0.6267 0.0124-0.4839 ( 3868 PWs) bands (ev): -18.7971 -18.7971 -18.6417 -18.6417 -18.4766 -18.4766 -18.3459 -18.3459 -18.2462 -18.2462 -18.1973 -18.1973 -3.6710 -3.6710 -3.1863 -3.1863 -2.6518 -2.6518 -1.8100 -1.8100 -1.5079 -1.5079 -1.2299 -1.2299 -1.1558 -1.1558 -0.9142 -0.9142 -0.5655 -0.5655 0.2074 0.2074 0.3305 0.3305 0.6302 0.6302 0.8694 0.8694 0.9718 0.9718 1.0796 1.0796 1.2865 1.2865 1.3762 1.3762 1.5033 1.5033 3.2503 3.2503 3.5718 3.5718 3.9715 3.9715 4.2632 4.2632 4.4220 4.4220 4.6055 4.6055 5.2896 5.2896 5.3413 5.3413 7.2703 7.2703 7.8434 7.8434 13.4101 13.4101 13.8671 13.8671 14.4186 14.4186 k = 0.6193 0.0268-0.4839 ( 3864 PWs) bands (ev): -18.8024 -18.8024 -18.6377 -18.6377 -18.4741 -18.4741 -18.3461 -18.3461 -18.2450 -18.2450 -18.1992 -18.1992 -3.6854 -3.6854 -3.1920 -3.1920 -2.6589 -2.6589 -1.8289 -1.8289 -1.4842 -1.4842 -1.2122 -1.2122 -1.1393 -1.1393 -0.9028 -0.9028 -0.5537 -0.5537 0.2007 0.2007 0.3361 0.3361 0.6333 0.6333 0.8683 0.8683 0.9902 0.9902 1.0660 1.0660 1.2715 1.2715 1.3703 1.3703 1.5042 1.5042 3.2239 3.2239 3.5683 3.5683 3.9629 3.9629 4.2666 4.2666 4.4235 4.4235 4.6080 4.6080 5.2822 5.2822 5.3410 5.3410 7.2515 7.2515 7.8734 7.8734 13.3831 13.3831 13.9569 13.9569 14.4068 14.4068 k = 0.6118 0.0413-0.4839 ( 3866 PWs) bands (ev): -18.8080 -18.8080 -18.6336 -18.6336 -18.4715 -18.4715 -18.3464 -18.3464 -18.2439 -18.2439 -18.2010 -18.2010 -3.6994 -3.6994 -3.1976 -3.1976 -2.6659 -2.6659 -1.8470 -1.8470 -1.4608 -1.4608 -1.1949 -1.1949 -1.1233 -1.1233 -0.8914 -0.8914 -0.5430 -0.5430 0.1938 0.1938 0.3422 0.3422 0.6366 0.6366 0.8669 0.8669 0.9959 0.9959 1.0675 1.0675 1.2555 1.2555 1.3654 1.3654 1.5046 1.5046 3.1969 3.1969 3.5644 3.5644 3.9540 3.9540 4.2696 4.2696 4.4245 4.4245 4.6104 4.6104 5.2752 5.2752 5.3414 5.3414 7.2336 7.2336 7.9027 7.9027 13.3548 13.3548 14.0370 14.0370 14.4091 14.4091 k = 0.6044 0.0557-0.4839 ( 3868 PWs) bands (ev): -18.8137 -18.8137 -18.6294 -18.6294 -18.4688 -18.4688 -18.3469 -18.3469 -18.2429 -18.2429 -18.2024 -18.2024 -3.7129 -3.7129 -3.2032 -3.2032 -2.6729 -2.6729 -1.8642 -1.8642 -1.4378 -1.4378 -1.1781 -1.1781 -1.1080 -1.1080 -0.8803 -0.8803 -0.5335 -0.5335 0.1872 0.1872 0.3487 0.3487 0.6402 0.6402 0.8656 0.8656 0.9855 0.9855 1.0866 1.0866 1.2389 1.2389 1.3615 1.3615 1.5047 1.5047 3.1697 3.1697 3.5602 3.5602 3.9450 3.9450 4.2723 4.2723 4.4251 4.4251 4.6127 4.6127 5.2691 5.2691 5.3420 5.3420 7.2168 7.2168 7.9309 7.9309 13.3270 13.3270 14.0974 14.0974 14.4337 14.4337 k = 0.5969 0.0702-0.4839 ( 3870 PWs) bands (ev): -18.8193 -18.8193 -18.6253 -18.6253 -18.4660 -18.4660 -18.3476 -18.3476 -18.2421 -18.2421 -18.2034 -18.2034 -3.7257 -3.7257 -3.2085 -3.2085 -2.6797 -2.6797 -1.8803 -1.8803 -1.4153 -1.4153 -1.1621 -1.1621 -1.0934 -1.0934 -0.8695 -0.8695 -0.5254 -0.5254 0.1811 0.1811 0.3556 0.3556 0.6441 0.6441 0.8646 0.8646 0.9682 0.9682 1.1132 1.1132 1.2225 1.2225 1.3583 1.3583 1.5043 1.5043 3.1425 3.1425 3.5558 3.5558 3.9359 3.9359 4.2746 4.2746 4.4252 4.4252 4.6148 4.6148 5.2639 5.2639 5.3428 5.3428 7.2010 7.2010 7.9579 7.9579 13.3005 13.3005 14.1318 14.1318 14.4860 14.4860 k = 0.5895 0.0846-0.4839 ( 3856 PWs) bands (ev): -18.8248 -18.8248 -18.6213 -18.6213 -18.4632 -18.4632 -18.3483 -18.3483 -18.2416 -18.2416 -18.2041 -18.2041 -3.7379 -3.7379 -3.2136 -3.2136 -2.6863 -2.6863 -1.8954 -1.8954 -1.3934 -1.3934 -1.1469 -1.1469 -1.0796 -1.0796 -0.8590 -0.8590 -0.5186 -0.5186 0.1758 0.1758 0.3626 0.3626 0.6483 0.6483 0.8639 0.8639 0.9495 0.9495 1.1401 1.1401 1.2080 1.2080 1.3557 1.3557 1.5036 1.5036 3.1156 3.1156 3.5512 3.5512 3.9268 3.9268 4.2767 4.2767 4.4252 4.4252 4.6167 4.6167 5.2597 5.2597 5.3437 5.3437 7.1863 7.1863 7.9837 7.9837 13.2755 13.2755 14.1445 14.1445 14.5608 14.5608 k = 0.5820 0.0991-0.4839 ( 3856 PWs) bands (ev): -18.8301 -18.8301 -18.6176 -18.6176 -18.4604 -18.4604 -18.3492 -18.3492 -18.2414 -18.2414 -18.2043 -18.2043 -3.7494 -3.7494 -3.2185 -3.2185 -2.6925 -2.6925 -1.9093 -1.9093 -1.3724 -1.3724 -1.1327 -1.1327 -1.0664 -1.0664 -0.8491 -0.8491 -0.5132 -0.5132 0.1712 0.1712 0.3697 0.3697 0.6527 0.6527 0.8628 0.8628 0.9313 0.9313 1.1574 1.1574 1.2034 1.2034 1.3537 1.3537 1.5026 1.5026 3.0892 3.0892 3.5465 3.5465 3.9179 3.9179 4.2783 4.2783 4.4249 4.4249 4.6185 4.6185 5.2564 5.2564 5.3445 5.3445 7.1727 7.1727 8.0079 8.0079 13.2523 13.2523 14.1443 14.1443 14.6485 14.6485 k = 0.5746 0.1135-0.4839 ( 3860 PWs) bands (ev): -18.8351 -18.8351 -18.6141 -18.6141 -18.4576 -18.4576 -18.3502 -18.3502 -18.2415 -18.2415 -18.2041 -18.2041 -3.7601 -3.7601 -3.2231 -3.2231 -2.6984 -2.6984 -1.9221 -1.9221 -1.3525 -1.3525 -1.1195 -1.1195 -1.0540 -1.0540 -0.8399 -0.8399 -0.5091 -0.5091 0.1675 0.1675 0.3768 0.3768 0.6574 0.6574 0.8604 0.8604 0.9157 0.9157 1.1526 1.1526 1.2202 1.2202 1.3523 1.3523 1.5014 1.5014 3.0637 3.0637 3.5418 3.5418 3.9091 3.9091 4.2797 4.2797 4.4246 4.4246 4.6201 4.6201 5.2538 5.2538 5.3452 5.3452 7.1603 7.1603 8.0304 8.0304 13.2310 13.2310 14.1381 14.1381 14.7418 14.7418 k = 0.5671 0.1280-0.4839 ( 3864 PWs) bands (ev): -18.8397 -18.8397 -18.6110 -18.6110 -18.4549 -18.4549 -18.3512 -18.3512 -18.2420 -18.2420 -18.2035 -18.2035 -3.7700 -3.7700 -3.2274 -3.2274 -2.7039 -2.7039 -1.9336 -1.9336 -1.3337 -1.3337 -1.1076 -1.1076 -1.0422 -1.0422 -0.8314 -0.8314 -0.5063 -0.5063 0.1647 0.1647 0.3837 0.3837 0.6622 0.6622 0.8548 0.8548 0.9047 0.9047 1.1379 1.1379 1.2459 1.2459 1.3514 1.3514 1.5000 1.5000 3.0394 3.0394 3.5371 3.5371 3.9008 3.9008 4.2808 4.2808 4.4241 4.4241 4.6216 4.6216 5.2519 5.2519 5.3459 5.3459 7.1490 7.1490 8.0512 8.0512 13.2117 13.2117 14.1292 14.1292 14.8364 14.8364 k = 0.5596 0.1424-0.4839 ( 3860 PWs) bands (ev): -18.8440 -18.8440 -18.6082 -18.6082 -18.4523 -18.4523 -18.3523 -18.3523 -18.2426 -18.2426 -18.2027 -18.2027 -3.7790 -3.7790 -3.2313 -3.2313 -2.7090 -2.7090 -1.9440 -1.9440 -1.3162 -1.3162 -1.0968 -1.0968 -1.0313 -1.0313 -0.8236 -0.8236 -0.5045 -0.5045 0.1626 0.1626 0.3905 0.3905 0.6672 0.6672 0.8449 0.8449 0.8998 0.8998 1.1211 1.1211 1.2717 1.2717 1.3514 1.3514 1.4985 1.4985 3.0164 3.0164 3.5325 3.5325 3.8929 3.8929 4.2817 4.2817 4.4236 4.4236 4.6230 4.6230 5.2506 5.2506 5.3465 5.3465 7.1388 7.1388 8.0701 8.0701 13.1945 13.1945 14.1195 14.1195 14.9293 14.9293 k = 0.5522 0.1569-0.4839 ( 3864 PWs) bands (ev): -18.8478 -18.8478 -18.6057 -18.6057 -18.4498 -18.4498 -18.3533 -18.3533 -18.2435 -18.2435 -18.2018 -18.2018 -3.7871 -3.7871 -3.2348 -3.2348 -2.7135 -2.7135 -1.9531 -1.9531 -1.3003 -1.3003 -1.0874 -1.0874 -1.0211 -1.0211 -0.8168 -0.8168 -0.5038 -0.5038 0.1613 0.1613 0.3969 0.3969 0.6724 0.6724 0.8318 0.8318 0.9000 0.9000 1.1040 1.1040 1.2952 1.2952 1.3528 1.3528 1.4969 1.4969 2.9952 2.9952 3.5282 3.5282 3.8856 3.8856 4.2824 4.2824 4.4231 4.4231 4.6241 4.6241 5.2497 5.2497 5.3470 5.3470 7.1298 7.1298 8.0870 8.0870 13.1792 13.1792 14.1100 14.1100 15.0183 15.0183 k = 0.5447 0.1713-0.4839 ( 3856 PWs) bands (ev): -18.8512 -18.8512 -18.6035 -18.6035 -18.4475 -18.4475 -18.3543 -18.3543 -18.2443 -18.2443 -18.2007 -18.2007 -3.7941 -3.7941 -3.2379 -3.2379 -2.7175 -2.7175 -1.9609 -1.9609 -1.2861 -1.2861 -1.0793 -1.0793 -1.0118 -1.0118 -0.8108 -0.8108 -0.5038 -0.5038 0.1605 0.1605 0.4029 0.4029 0.6776 0.6776 0.8177 0.8177 0.9033 0.9033 1.0872 1.0872 1.3142 1.3142 1.3567 1.3567 1.4954 1.4954 2.9760 2.9760 3.5241 3.5241 3.8791 3.8791 4.2830 4.2830 4.4226 4.4226 4.6252 4.6252 5.2492 5.2492 5.3475 5.3475 7.1221 7.1221 8.1018 8.1018 13.1660 13.1660 14.1011 14.1011 15.1013 15.1013 k = 0.5373 0.1858-0.4839 ( 3852 PWs) bands (ev): -18.8541 -18.8541 -18.6017 -18.6017 -18.4454 -18.4454 -18.3553 -18.3553 -18.2452 -18.2452 -18.1997 -18.1997 -3.8002 -3.8002 -3.2405 -3.2405 -2.7209 -2.7209 -1.9676 -1.9676 -1.2737 -1.2737 -1.0726 -1.0726 -1.0035 -1.0035 -0.8058 -0.8058 -0.5043 -0.5043 0.1602 0.1602 0.4082 0.4082 0.6828 0.6828 0.8041 0.8041 0.9083 0.9083 1.0712 1.0712 1.3264 1.3264 1.3648 1.3648 1.4940 1.4940 2.9591 2.9591 3.5206 3.5206 3.8734 3.8734 4.2834 4.2834 4.4221 4.4221 4.6261 4.6261 5.2489 5.2489 5.3479 5.3479 7.1155 7.1155 8.1145 8.1145 13.1548 13.1548 14.0933 14.0933 15.1761 15.1761 k = 0.5298 0.2002-0.4839 ( 3860 PWs) bands (ev): -18.8564 -18.8564 -18.6002 -18.6002 -18.4436 -18.4436 -18.3561 -18.3561 -18.2460 -18.2460 -18.1989 -18.1989 -3.8052 -3.8052 -3.2428 -3.2428 -2.7238 -2.7238 -1.9730 -1.9730 -1.2633 -1.2633 -1.0672 -1.0672 -0.9965 -0.9965 -0.8017 -0.8017 -0.5051 -0.5051 0.1601 0.1601 0.4128 0.4128 0.6879 0.6879 0.7915 0.7915 0.9143 0.9143 1.0562 1.0562 1.3323 1.3323 1.3762 1.3762 1.4927 1.4927 2.9448 2.9448 3.5175 3.5175 3.8686 3.8686 4.2837 4.2837 4.4217 4.4217 4.6269 4.6269 5.2487 5.2487 5.3482 5.3482 7.1101 7.1101 8.1250 8.1250 13.1457 13.1457 14.0867 14.0867 15.2404 15.2404 k = 0.5224 0.2147-0.4839 ( 3862 PWs) bands (ev): -18.8583 -18.8583 -18.5990 -18.5990 -18.4422 -18.4422 -18.3568 -18.3568 -18.2466 -18.2466 -18.1981 -18.1981 -3.8091 -3.8091 -3.2445 -3.2445 -2.7260 -2.7260 -1.9772 -1.9772 -1.2551 -1.2551 -1.0630 -1.0630 -0.9907 -0.9907 -0.7986 -0.7986 -0.5060 -0.5060 0.1603 0.1603 0.4165 0.4165 0.6927 0.6927 0.7807 0.7807 0.9206 0.9206 1.0429 1.0429 1.3349 1.3349 1.3875 1.3875 1.4917 1.4917 2.9334 2.9334 3.5150 3.5150 3.8648 3.8648 4.2839 4.2839 4.4214 4.4214 4.6275 4.6275 5.2487 5.2487 5.3485 5.3485 7.1059 7.1059 8.1331 8.1331 13.1386 13.1386 14.0815 14.0815 15.2923 15.2923 k = 0.5149 0.2291-0.4839 ( 3858 PWs) bands (ev): -18.8596 -18.8596 -18.5982 -18.5982 -18.4411 -18.4411 -18.3573 -18.3573 -18.2471 -18.2471 -18.1975 -18.1975 -3.8119 -3.8119 -3.2457 -3.2457 -2.7276 -2.7276 -1.9802 -1.9802 -1.2492 -1.2492 -1.0601 -1.0601 -0.9865 -0.9865 -0.7963 -0.7963 -0.5068 -0.5068 0.1605 0.1605 0.4192 0.4192 0.6968 0.6968 0.7721 0.7721 0.9265 0.9265 1.0321 1.0321 1.3361 1.3361 1.3964 1.3964 1.4909 1.4909 2.9251 2.9251 3.5131 3.5131 3.8621 3.8621 4.2840 4.2840 4.4211 4.4211 4.6279 4.6279 5.2487 5.2487 5.3487 5.3487 7.1029 7.1029 8.1390 8.1390 13.1335 13.1335 14.0777 14.0777 15.3302 15.3302 k = 0.5075 0.2436-0.4839 ( 3858 PWs) bands (ev): -18.8605 -18.8605 -18.5977 -18.5977 -18.4405 -18.4405 -18.3576 -18.3576 -18.2474 -18.2474 -18.1972 -18.1972 -3.8136 -3.8136 -3.2465 -3.2465 -2.7286 -2.7286 -1.9820 -1.9820 -1.2456 -1.2456 -1.0583 -1.0583 -0.9839 -0.9839 -0.7950 -0.7950 -0.5073 -0.5073 0.1606 0.1606 0.4209 0.4209 0.6998 0.6998 0.7664 0.7664 0.9309 0.9309 1.0247 1.0247 1.3367 1.3367 1.4021 1.4021 1.4904 1.4904 2.9201 2.9201 3.5120 3.5120 3.8604 3.8604 4.2841 4.2841 4.4210 4.4210 4.6282 4.6282 5.2487 5.2487 5.3488 5.3488 7.1011 7.1011 8.1426 8.1426 13.1305 13.1305 14.0755 14.0755 15.3531 15.3531 k = 0.5000 0.2580-0.4839 ( 3866 PWs) bands (ev): -18.8607 -18.8607 -18.5975 -18.5975 -18.4403 -18.4403 -18.3577 -18.3577 -18.2476 -18.2476 -18.1971 -18.1971 -3.8142 -3.8142 -3.2468 -3.2468 -2.7289 -2.7289 -1.9826 -1.9826 -1.2444 -1.2444 -1.0578 -1.0578 -0.9830 -0.9830 -0.7946 -0.7946 -0.5075 -0.5075 0.1607 0.1607 0.4215 0.4215 0.7008 0.7008 0.7644 0.7644 0.9325 0.9325 1.0221 1.0221 1.3368 1.3368 1.4040 1.4040 1.4902 1.4902 2.9184 2.9184 3.5116 3.5116 3.8598 3.8598 4.2841 4.2841 4.4209 4.4209 4.6283 4.6283 5.2487 5.2487 5.3488 5.3488 7.1005 7.1005 8.1437 8.1437 13.1295 13.1295 14.0747 14.0747 15.3608 15.3608 k = 0.5000 0.2580-0.4839 ( 3866 PWs) bands (ev): -18.8607 -18.8607 -18.5975 -18.5975 -18.4403 -18.4403 -18.3577 -18.3577 -18.2476 -18.2476 -18.1971 -18.1971 -3.8142 -3.8142 -3.2468 -3.2468 -2.7289 -2.7289 -1.9826 -1.9826 -1.2444 -1.2444 -1.0578 -1.0578 -0.9830 -0.9830 -0.7946 -0.7946 -0.5075 -0.5075 0.1607 0.1607 0.4215 0.4215 0.7008 0.7008 0.7644 0.7644 0.9325 0.9325 1.0221 1.0221 1.3368 1.3368 1.4040 1.4040 1.4902 1.4902 2.9184 2.9184 3.5116 3.5116 3.8598 3.8598 4.2841 4.2841 4.4209 4.4209 4.6283 4.6283 5.2487 5.2487 5.3488 5.3488 7.1005 7.1005 8.1437 8.1437 13.1295 13.1295 14.0747 14.0747 15.3608 15.3608 k = 0.5096 0.2630-0.4713 ( 3863 PWs) bands (ev): -18.8604 -18.8604 -18.5978 -18.5978 -18.4404 -18.4404 -18.3576 -18.3576 -18.2476 -18.2476 -18.1970 -18.1970 -3.8134 -3.8134 -3.2466 -3.2466 -2.7286 -2.7286 -1.9819 -1.9819 -1.2452 -1.2452 -1.0593 -1.0593 -0.9832 -0.9832 -0.7952 -0.7952 -0.5072 -0.5072 0.1609 0.1609 0.4216 0.4216 0.6993 0.6993 0.7649 0.7649 0.9337 0.9337 1.0226 1.0226 1.3342 1.3342 1.4033 1.4033 1.4906 1.4906 2.9208 2.9208 3.5123 3.5123 3.8608 3.8608 4.2841 4.2841 4.4209 4.4209 4.6281 4.6281 5.2487 5.2487 5.3489 5.3489 7.1013 7.1013 8.1419 8.1419 13.1307 13.1307 14.0760 14.0760 15.3304 15.3304 k = 0.5192 0.2679-0.4588 ( 3866 PWs) bands (ev): -18.8595 -18.8595 -18.5988 -18.5988 -18.4409 -18.4409 -18.3572 -18.3572 -18.2477 -18.2477 -18.1967 -18.1967 -3.8111 -3.8111 -3.2460 -3.2460 -2.7276 -2.7276 -1.9799 -1.9799 -1.2477 -1.2477 -1.0640 -1.0640 -0.9839 -0.9839 -0.7972 -0.7972 -0.5065 -0.5065 0.1616 0.1616 0.4219 0.4219 0.6950 0.6950 0.7663 0.7663 0.9372 0.9372 1.0241 1.0241 1.3265 1.3265 1.4015 1.4015 1.4918 1.4918 2.9280 2.9280 3.5142 3.5142 3.8637 3.8637 4.2842 4.2842 4.4208 4.4208 4.6274 4.6274 5.2487 5.2487 5.3491 5.3491 7.1039 7.1039 8.1364 8.1364 13.1344 13.1344 14.0801 14.0801 15.2557 15.2557 k = 0.5288 0.2729-0.4462 ( 3865 PWs) bands (ev): -18.8581 -18.8581 -18.6004 -18.6004 -18.4418 -18.4418 -18.3566 -18.3566 -18.2479 -18.2479 -18.1963 -18.1963 -3.8074 -3.8074 -3.2451 -3.2451 -2.7259 -2.7259 -1.9764 -1.9764 -1.2519 -1.2519 -1.0716 -1.0716 -0.9851 -0.9851 -0.8004 -0.8004 -0.5054 -0.5054 0.1628 0.1628 0.4224 0.4224 0.6883 0.6883 0.7681 0.7681 0.9429 0.9429 1.0266 1.0266 1.3137 1.3137 1.3988 1.3988 1.4937 1.4937 2.9398 2.9398 3.5173 3.5173 3.8685 3.8685 4.2843 4.2843 4.4206 4.4206 4.6263 4.6263 5.2486 5.2486 5.3495 5.3495 7.1082 7.1082 8.1274 8.1274 13.1404 13.1404 14.0867 14.0867 15.1590 15.1590 k = 0.5383 0.2778-0.4337 ( 3869 PWs) bands (ev): -18.8560 -18.8560 -18.6026 -18.6026 -18.4429 -18.4429 -18.3558 -18.3558 -18.2482 -18.2482 -18.1958 -18.1958 -3.8022 -3.8022 -3.2439 -3.2439 -2.7235 -2.7235 -1.9715 -1.9715 -1.2577 -1.2577 -1.0819 -1.0819 -0.9869 -0.9869 -0.8048 -0.8048 -0.5041 -0.5041 0.1648 0.1648 0.4231 0.4231 0.6797 0.6797 0.7699 0.7699 0.9504 0.9504 1.0300 1.0300 1.2963 1.2963 1.3956 1.3956 1.4961 1.4961 2.9557 2.9557 3.5216 3.5216 3.8750 3.8750 4.2845 4.2845 4.4204 4.4204 4.6249 4.6249 5.2486 5.2486 5.3499 5.3499 7.1142 7.1142 8.1148 8.1148 13.1489 13.1489 14.0959 14.0959 15.0516 15.0516 k = 0.5479 0.2827-0.4211 ( 3869 PWs) bands (ev): -18.8535 -18.8535 -18.6053 -18.6053 -18.4443 -18.4443 -18.3548 -18.3548 -18.2486 -18.2486 -18.1950 -18.1950 -3.7956 -3.7956 -3.2424 -3.2424 -2.7204 -2.7204 -1.9652 -1.9652 -1.2652 -1.2652 -1.0945 -1.0945 -0.9895 -0.9895 -0.8105 -0.8105 -0.5029 -0.5029 0.1676 0.1676 0.4239 0.4239 0.6695 0.6695 0.7716 0.7716 0.9595 0.9595 1.0342 1.0342 1.2750 1.2750 1.3922 1.3922 1.4988 1.4988 2.9754 2.9754 3.5270 3.5270 3.8833 3.8833 4.2846 4.2846 4.4201 4.4201 4.6230 4.6230 5.2488 5.2488 5.3506 5.3506 7.1219 7.1219 8.0988 8.0988 13.1598 13.1598 14.1073 14.1073 14.9388 14.9388 k = 0.5575 0.2877-0.4086 ( 3870 PWs) bands (ev): -18.8503 -18.8503 -18.6087 -18.6087 -18.4459 -18.4459 -18.3537 -18.3537 -18.2491 -18.2491 -18.1940 -18.1940 -3.7876 -3.7876 -3.2405 -3.2405 -2.7167 -2.7167 -1.9575 -1.9575 -1.2743 -1.2743 -1.1092 -1.1092 -0.9928 -0.9928 -0.8173 -0.8173 -0.5022 -0.5022 0.1715 0.1715 0.4248 0.4248 0.6579 0.6579 0.7729 0.7729 0.9694 0.9694 1.0392 1.0392 1.2509 1.2509 1.3888 1.3888 1.5019 1.5019 2.9984 2.9984 3.5333 3.5333 3.8931 3.8931 4.2848 4.2848 4.4197 4.4197 4.6208 4.6208 5.2490 5.2490 5.3514 5.3514 7.1312 7.1312 8.0795 8.0795 13.1730 13.1730 14.1208 14.1208 14.8232 14.8232 k = 0.5671 0.2926-0.3961 ( 3872 PWs) bands (ev): -18.8467 -18.8467 -18.6125 -18.6125 -18.4477 -18.4477 -18.3525 -18.3525 -18.2497 -18.2497 -18.1928 -18.1928 -3.7782 -3.7782 -3.2384 -3.2384 -2.7124 -2.7124 -1.9484 -1.9484 -1.2850 -1.2850 -1.1257 -1.1257 -0.9970 -0.9970 -0.8251 -0.8251 -0.5021 -0.5021 0.1767 0.1767 0.4257 0.4257 0.6451 0.6451 0.7739 0.7739 0.9795 0.9795 1.0449 1.0449 1.2253 1.2253 1.3854 1.3854 1.5051 1.5051 3.0240 3.0240 3.5405 3.5405 3.9042 3.9042 4.2849 4.2849 4.4192 4.4192 4.6183 4.6183 5.2496 5.2496 5.3523 5.3523 7.1422 7.1422 8.0570 8.0570 13.1883 13.1883 14.1358 14.1358 14.7068 14.7068 k = 0.5767 0.2976-0.3835 ( 3869 PWs) bands (ev): -18.8426 -18.8426 -18.6169 -18.6169 -18.4496 -18.4496 -18.3512 -18.3512 -18.2505 -18.2505 -18.1913 -18.1913 -3.7676 -3.7676 -3.2360 -3.2360 -2.7074 -2.7074 -1.9379 -1.9379 -1.2973 -1.2973 -1.1438 -1.1438 -1.0022 -1.0022 -0.8338 -0.8338 -0.5030 -0.5030 0.1833 0.1833 0.4264 0.4264 0.6310 0.6310 0.7746 0.7746 0.9884 0.9884 1.0512 1.0512 1.2004 1.2004 1.3824 1.3824 1.5083 1.5083 3.0517 3.0517 3.5485 3.5485 3.9164 3.9164 4.2849 4.2849 4.4186 4.4186 4.6156 4.6156 5.2505 5.2505 5.3534 5.3534 7.1547 7.1547 8.0315 8.0315 13.2057 13.2057 14.1509 14.1509 14.5917 14.5917 k = 0.5863 0.3025-0.3710 ( 3865 PWs) bands (ev): -18.8381 -18.8381 -18.6217 -18.6217 -18.4517 -18.4517 -18.3499 -18.3499 -18.2514 -18.2514 -18.1896 -18.1896 -3.7557 -3.7557 -3.2334 -3.2334 -2.7018 -2.7018 -1.9260 -1.9260 -1.3111 -1.3111 -1.1633 -1.1633 -1.0083 -1.0083 -0.8432 -0.8432 -0.5050 -0.5050 0.1916 0.1916 0.4266 0.4266 0.6158 0.6158 0.7751 0.7751 0.9944 0.9944 1.0579 1.0579 1.1786 1.1786 1.3796 1.3796 1.5114 1.5114 3.0811 3.0811 3.5571 3.5571 3.9296 3.9296 4.2849 4.2849 4.4179 4.4179 4.6126 4.6126 5.2519 5.2519 5.3546 5.3546 7.1688 7.1688 8.0032 8.0032 13.2250 13.2250 14.1630 14.1630 14.4818 14.4818 k = 0.5959 0.3075-0.3584 ( 3863 PWs) bands (ev): -18.8333 -18.8333 -18.6269 -18.6269 -18.4539 -18.4539 -18.3485 -18.3485 -18.2525 -18.2525 -18.1877 -18.1877 -3.7428 -3.7428 -3.2306 -3.2306 -2.6955 -2.6955 -1.9127 -1.9127 -1.3264 -1.3264 -1.1840 -1.1840 -1.0154 -1.0154 -0.8531 -0.8531 -0.5084 -0.5084 0.2015 0.2015 0.4258 0.4258 0.5997 0.5997 0.7754 0.7754 0.9950 0.9950 1.0650 1.0650 1.1632 1.1632 1.3773 1.3773 1.5144 1.5144 3.1115 3.1115 3.5662 3.5662 3.9434 3.9434 4.2846 4.2846 4.4172 4.4172 4.6095 4.6095 5.2539 5.2539 5.3559 5.3559 7.1844 7.1844 7.9723 7.9723 13.2457 13.2457 14.1623 14.1623 14.3874 14.3874 k = 0.6054 0.3124-0.3459 ( 3865 PWs) bands (ev): -18.8282 -18.8282 -18.6324 -18.6324 -18.4561 -18.4561 -18.3472 -18.3472 -18.2536 -18.2536 -18.1855 -18.1855 -3.7288 -3.7288 -3.2276 -3.2276 -2.6887 -2.6887 -1.8981 -1.8981 -1.3431 -1.3431 -1.2056 -1.2056 -1.0235 -1.0235 -0.8635 -0.8635 -0.5131 -0.5131 0.2131 0.2131 0.4232 0.4232 0.5833 0.5833 0.7755 0.7755 0.9885 0.9885 1.0726 1.0726 1.1565 1.1565 1.3756 1.3756 1.5170 1.5170 3.1425 3.1425 3.5757 3.5757 3.9576 3.9576 4.2841 4.2841 4.4163 4.4163 4.6062 4.6062 5.2567 5.2567 5.3574 5.3574 7.2014 7.2014 7.9390 7.9390 13.2674 13.2674 14.1252 14.1252 14.3329 14.3329 k = 0.6150 0.3174-0.3333 ( 3867 PWs) bands (ev): -18.8230 -18.8230 -18.6381 -18.6381 -18.4584 -18.4584 -18.3460 -18.3460 -18.2547 -18.2547 -18.1832 -18.1832 -3.7138 -3.7138 -3.2245 -3.2245 -2.6814 -2.6814 -1.8821 -1.8821 -1.3614 -1.3614 -1.2280 -1.2280 -1.0326 -1.0326 -0.8741 -0.8741 -0.5193 -0.5193 0.2264 0.2264 0.4177 0.4177 0.5673 0.5673 0.7757 0.7757 0.9756 0.9756 1.0805 1.0805 1.1587 1.1587 1.3744 1.3744 1.5194 1.5194 3.1735 3.1735 3.5856 3.5856 3.9719 3.9719 4.2833 4.2833 4.4153 4.4153 4.6029 4.6029 5.2603 5.2603 5.3590 5.3590 7.2198 7.2198 7.9037 7.9037 13.2890 13.2890 14.0443 14.0443 14.3267 14.3267 k = 0.6246 0.3223-0.3208 ( 3865 PWs) bands (ev): -18.8177 -18.8177 -18.6438 -18.6438 -18.4606 -18.4606 -18.3449 -18.3449 -18.2559 -18.2559 -18.1807 -18.1807 -3.6980 -3.6980 -3.2214 -3.2214 -2.6735 -2.6735 -1.8649 -1.8649 -1.3810 -1.3810 -1.2510 -1.2510 -1.0427 -1.0427 -0.8849 -0.8849 -0.5267 -0.5267 0.2411 0.2411 0.4078 0.4078 0.5533 0.5533 0.7760 0.7760 0.9590 0.9590 1.0888 1.0888 1.1675 1.1675 1.3739 1.3739 1.5214 1.5214 3.2041 3.2041 3.5958 3.5958 3.9863 3.9863 4.2821 4.2821 4.4143 4.4143 4.5994 4.5994 5.2650 5.2650 5.3608 5.3608 7.2395 7.2395 7.8666 7.8666 13.3088 13.3088 13.9458 13.9458 14.3445 14.3445 k = 0.6342 0.3273-0.3083 ( 3873 PWs) bands (ev): -18.8126 -18.8126 -18.6495 -18.6495 -18.4629 -18.4629 -18.3440 -18.3440 -18.2570 -18.2570 -18.1780 -18.1780 -3.6814 -3.6814 -3.2181 -3.2181 -2.6651 -2.6651 -1.8465 -1.8465 -1.4021 -1.4021 -1.2743 -1.2743 -1.0536 -1.0536 -0.8958 -0.8958 -0.5354 -0.5354 0.2569 0.2569 0.3922 0.3922 0.5425 0.5425 0.7764 0.7764 0.9416 0.9416 1.0972 1.0972 1.1807 1.1807 1.3741 1.3741 1.5229 1.5229 3.2339 3.2339 3.6061 3.6061 4.0004 4.0004 4.2805 4.2805 4.4130 4.4130 4.5958 4.5958 5.2707 5.2707 5.3627 5.3627 7.2605 7.2605 7.8280 7.8280 13.3233 13.3233 13.8473 13.8473 14.3722 14.3722 k = 0.6342 0.3273-0.3083 ( 3873 PWs) bands (ev): -18.8126 -18.8126 -18.6495 -18.6495 -18.4629 -18.4629 -18.3440 -18.3440 -18.2570 -18.2570 -18.1780 -18.1780 -3.6814 -3.6814 -3.2181 -3.2181 -2.6651 -2.6651 -1.8465 -1.8465 -1.4021 -1.4021 -1.2743 -1.2743 -1.0536 -1.0536 -0.8958 -0.8958 -0.5354 -0.5354 0.2569 0.2569 0.3922 0.3922 0.5425 0.5425 0.7764 0.7764 0.9416 0.9416 1.0972 1.0972 1.1807 1.1807 1.3741 1.3741 1.5229 1.5229 3.2339 3.2339 3.6061 3.6061 4.0004 4.0004 4.2805 4.2805 4.4130 4.4130 4.5958 4.5958 5.2707 5.2707 5.3627 5.3627 7.2605 7.2605 7.8280 7.8280 13.3233 13.3233 13.8473 13.8473 14.3722 14.3722 k = 0.6297 0.3250-0.2921 ( 3873 PWs) bands (ev): -18.8103 -18.8103 -18.6536 -18.6536 -18.4637 -18.4637 -18.3438 -18.3438 -18.2565 -18.2565 -18.1763 -18.1763 -3.6753 -3.6753 -3.2172 -3.2172 -2.6578 -2.6578 -1.8335 -1.8335 -1.4177 -1.4177 -1.2846 -1.2846 -1.0605 -1.0605 -0.8985 -0.8985 -0.5348 -0.5348 0.2719 0.2719 0.4026 0.4026 0.5294 0.5294 0.7571 0.7571 0.9204 0.9204 1.0975 1.0975 1.1963 1.1963 1.3731 1.3731 1.5207 1.5207 3.2532 3.2532 3.6109 3.6109 4.0073 4.0073 4.2795 4.2795 4.4144 4.4144 4.5963 4.5963 5.2748 5.2748 5.3628 5.3628 7.2692 7.2692 7.8070 7.8070 13.3133 13.3133 13.7997 13.7997 14.3921 14.3921 k = 0.6253 0.3226-0.2760 ( 3875 PWs) bands (ev): -18.8088 -18.8088 -18.6573 -18.6573 -18.4644 -18.4644 -18.3441 -18.3441 -18.2554 -18.2554 -18.1744 -18.1744 -3.6677 -3.6677 -3.2162 -3.2162 -2.6500 -2.6500 -1.8199 -1.8199 -1.4347 -1.4347 -1.2951 -1.2951 -1.0691 -1.0691 -0.9007 -0.9007 -0.5372 -0.5372 0.2846 0.2846 0.4103 0.4103 0.5190 0.5190 0.7406 0.7406 0.8990 0.8990 1.0994 1.0994 1.2128 1.2128 1.3722 1.3722 1.5184 1.5184 3.2729 3.2729 3.6160 3.6160 4.0150 4.0150 4.2788 4.2788 4.4151 4.4151 4.5967 4.5967 5.2793 5.2793 5.3635 5.3635 7.2778 7.2778 7.7858 7.7858 13.2816 13.2816 13.7503 13.7503 14.4376 14.4376 k = 0.6208 0.3203-0.2599 ( 3879 PWs) bands (ev): -18.8080 -18.8080 -18.6604 -18.6604 -18.4651 -18.4651 -18.3450 -18.3450 -18.2536 -18.2536 -18.1723 -18.1723 -3.6586 -3.6586 -3.2153 -3.2153 -2.6415 -2.6415 -1.8059 -1.8059 -1.4525 -1.4525 -1.3058 -1.3058 -1.0789 -1.0789 -0.9030 -0.9030 -0.5426 -0.5426 0.2942 0.2942 0.4130 0.4130 0.5123 0.5123 0.7282 0.7282 0.8785 0.8785 1.1026 1.1026 1.2298 1.2298 1.3716 1.3716 1.5161 1.5161 3.2932 3.2932 3.6215 3.6215 4.0235 4.0235 4.2784 4.2784 4.4151 4.4151 4.5969 4.5969 5.2841 5.2841 5.3648 5.3648 7.2863 7.2863 7.7646 7.7646 13.2347 13.2347 13.6966 13.6966 14.5047 14.5047 k = 0.6163 0.3180-0.2437 ( 3880 PWs) bands (ev): -18.8080 -18.8080 -18.6630 -18.6630 -18.4657 -18.4657 -18.3465 -18.3465 -18.2513 -18.2513 -18.1700 -18.1700 -3.6481 -3.6481 -3.2144 -3.2144 -2.6325 -2.6325 -1.7915 -1.7915 -1.4708 -1.4708 -1.3168 -1.3168 -1.0894 -1.0894 -0.9057 -0.9057 -0.5511 -0.5511 0.3000 0.3000 0.4097 0.4097 0.5093 0.5093 0.7214 0.7214 0.8598 0.8598 1.1069 1.1069 1.2471 1.2471 1.3713 1.3713 1.5140 1.5140 3.3139 3.3139 3.6274 3.6274 4.0328 4.0328 4.2784 4.2784 4.4146 4.4146 4.5968 4.5968 5.2893 5.2893 5.3667 5.3667 7.2945 7.2945 7.7434 7.7434 13.1782 13.1782 13.6384 13.6384 14.5882 14.5882 k = 0.6118 0.3157-0.2276 ( 3879 PWs) bands (ev): -18.8087 -18.8087 -18.6648 -18.6648 -18.4663 -18.4663 -18.3487 -18.3487 -18.2483 -18.2483 -18.1676 -18.1676 -3.6362 -3.6362 -3.2136 -3.2136 -2.6231 -2.6231 -1.7768 -1.7768 -1.4890 -1.4890 -1.3280 -1.3280 -1.1004 -1.1004 -0.9092 -0.9092 -0.5627 -0.5627 0.3016 0.3016 0.4010 0.4010 0.5071 0.5071 0.7217 0.7217 0.8437 0.8437 1.1120 1.1120 1.2644 1.2644 1.3714 1.3714 1.5119 1.5119 3.3350 3.3350 3.6334 3.6334 4.0428 4.0428 4.2788 4.2788 4.4134 4.4134 4.5965 4.5965 5.2948 5.2948 5.3691 5.3691 7.3024 7.3024 7.7223 7.7223 13.1160 13.1160 13.5767 13.5767 14.6835 14.6835 k = 0.6074 0.3134-0.2115 ( 3879 PWs) bands (ev): -18.8102 -18.8102 -18.6661 -18.6661 -18.4668 -18.4668 -18.3516 -18.3516 -18.2448 -18.2448 -18.1650 -18.1650 -3.6230 -3.6230 -3.2128 -3.2128 -2.6131 -2.6131 -1.7619 -1.7619 -1.5069 -1.5069 -1.3394 -1.3394 -1.1116 -1.1116 -0.9137 -0.9137 -0.5774 -0.5774 0.2989 0.2989 0.3890 0.3890 0.5025 0.5025 0.7298 0.7298 0.8307 0.8307 1.1180 1.1180 1.2816 1.2816 1.3720 1.3720 1.5101 1.5101 3.3565 3.3565 3.6396 3.6396 4.0535 4.0535 4.2795 4.2795 4.4117 4.4117 4.5957 4.5957 5.3005 5.3005 5.3721 5.3721 7.3101 7.3101 7.7012 7.7012 13.0507 13.0507 13.5125 13.5125 14.7871 14.7871 k = 0.6029 0.3111-0.1954 ( 3874 PWs) bands (ev): -18.8123 -18.8123 -18.6666 -18.6666 -18.4673 -18.4673 -18.3550 -18.3550 -18.2410 -18.2410 -18.1623 -18.1623 -3.6084 -3.6084 -3.2121 -3.2121 -2.6028 -2.6028 -1.7470 -1.7470 -1.5241 -1.5241 -1.3509 -1.3509 -1.1228 -1.1228 -0.9195 -0.9195 -0.5951 -0.5951 0.2922 0.2922 0.3750 0.3750 0.4939 0.4939 0.7451 0.7451 0.8216 0.8216 1.1247 1.1247 1.2984 1.2984 1.3731 1.3731 1.5086 1.5086 3.3783 3.3783 3.6459 3.6459 4.0649 4.0649 4.2805 4.2805 4.4094 4.4094 4.5946 4.5946 5.3065 5.3065 5.3757 5.3757 7.3174 7.3174 7.6804 7.6804 12.9839 12.9839 13.4469 13.4469 14.8966 14.8966 k = 0.5984 0.3088-0.1792 ( 3870 PWs) bands (ev): -18.8150 -18.8150 -18.6665 -18.6665 -18.4677 -18.4677 -18.3590 -18.3590 -18.2367 -18.2367 -18.1595 -18.1595 -3.5926 -3.5926 -3.2115 -3.2115 -2.5920 -2.5920 -1.7324 -1.7324 -1.5403 -1.5403 -1.3622 -1.3622 -1.1339 -1.1339 -0.9266 -0.9266 -0.6155 -0.6155 0.2819 0.2819 0.3601 0.3601 0.4811 0.4811 0.7659 0.7659 0.8164 0.8164 1.1322 1.1322 1.3149 1.3149 1.3748 1.3748 1.5074 1.5074 3.4004 3.4004 3.6521 3.6521 4.0767 4.0767 4.2820 4.2820 4.4067 4.4067 4.5929 4.5929 5.3128 5.3128 5.3798 5.3798 7.3243 7.3243 7.6599 7.6599 12.9167 12.9167 13.3807 13.3807 15.0103 15.0103 k = 0.5939 0.3065-0.1631 ( 3870 PWs) bands (ev): -18.8182 -18.8182 -18.6657 -18.6657 -18.4680 -18.4680 -18.3636 -18.3636 -18.2323 -18.2323 -18.1565 -18.1565 -3.5755 -3.5755 -3.2109 -3.2109 -2.5809 -2.5809 -1.7184 -1.7184 -1.5551 -1.5551 -1.3734 -1.3734 -1.1448 -1.1448 -0.9351 -0.9351 -0.6384 -0.6384 0.2686 0.2686 0.3445 0.3445 0.4648 0.4648 0.7892 0.7892 0.8160 0.8160 1.1406 1.1406 1.3308 1.3308 1.3772 1.3772 1.5066 1.5066 3.4226 3.4226 3.6581 3.6581 4.0891 4.0891 4.2837 4.2837 4.4036 4.4036 4.5908 4.5908 5.3193 5.3193 5.3845 5.3845 7.3309 7.3309 7.6397 7.6397 12.8499 12.8499 13.3144 13.3144 15.1271 15.1271 k = 0.5895 0.3042-0.1470 ( 3872 PWs) bands (ev): -18.8218 -18.8218 -18.6645 -18.6645 -18.4683 -18.4683 -18.3685 -18.3685 -18.2277 -18.2277 -18.1535 -18.1535 -3.5574 -3.5574 -3.2104 -3.2104 -2.5696 -2.5696 -1.7057 -1.7057 -1.5679 -1.5679 -1.3843 -1.3843 -1.1554 -1.1554 -0.9450 -0.9450 -0.6636 -0.6636 0.2530 0.2530 0.3289 0.3289 0.4458 0.4458 0.8067 0.8067 0.8268 0.8268 1.1500 1.1500 1.3459 1.3459 1.3805 1.3805 1.5062 1.5062 3.4448 3.4448 3.6640 3.6640 4.1018 4.1018 4.2857 4.2857 4.4002 4.4002 4.5882 4.5882 5.3261 5.3261 5.3896 5.3896 7.3371 7.3371 7.6199 7.6199 12.7841 12.7841 13.2486 13.2486 15.2461 15.2461 k = 0.5850 0.3019-0.1308 ( 3872 PWs) bands (ev): -18.8257 -18.8257 -18.6627 -18.6627 -18.4685 -18.4685 -18.3738 -18.3738 -18.2231 -18.2231 -18.1504 -18.1504 -3.5382 -3.5382 -3.2099 -3.2099 -2.5581 -2.5581 -1.6949 -1.6949 -1.5779 -1.5779 -1.3947 -1.3947 -1.1656 -1.1656 -0.9564 -0.9564 -0.6907 -0.6907 0.2355 0.2355 0.3133 0.3133 0.4251 0.4251 0.8137 0.8137 0.8513 0.8513 1.1606 1.1606 1.3599 1.3599 1.3851 1.3851 1.5064 1.5064 3.4670 3.4670 3.6697 3.6697 4.1147 4.1147 4.2879 4.2879 4.3964 4.3964 4.5850 4.5850 5.3331 5.3331 5.3951 5.3951 7.3430 7.3430 7.6006 7.6006 12.7197 12.7197 13.1836 13.1836 15.3667 15.3667 k = 0.5805 0.2996-0.1147 ( 3872 PWs) bands (ev): -18.8299 -18.8299 -18.6604 -18.6604 -18.4687 -18.4687 -18.3794 -18.3794 -18.2185 -18.2185 -18.1472 -18.1472 -3.5181 -3.5181 -3.2095 -3.2095 -2.5464 -2.5464 -1.6872 -1.6872 -1.5841 -1.5841 -1.4046 -1.4046 -1.1754 -1.1754 -0.9693 -0.9693 -0.7192 -0.7192 0.2166 0.2166 0.2980 0.2980 0.4032 0.4032 0.8197 0.8197 0.8782 0.8782 1.1726 1.1726 1.3719 1.3719 1.3917 1.3917 1.5069 1.5069 3.4891 3.4891 3.6750 3.6750 4.1278 4.1278 4.2901 4.2901 4.3925 4.3925 4.5813 4.5813 5.3404 5.3404 5.4010 5.4010 7.3485 7.3485 7.5819 7.5819 12.6570 12.6570 13.1199 13.1199 15.4884 15.4884 k = 0.5760 0.2973-0.0986 ( 3876 PWs) bands (ev): -18.8342 -18.8342 -18.6578 -18.6578 -18.4688 -18.4688 -18.3853 -18.3853 -18.2140 -18.2140 -18.1440 -18.1440 -3.4973 -3.4973 -3.2092 -3.2092 -2.5346 -2.5346 -1.6838 -1.6838 -1.5855 -1.5855 -1.4140 -1.4140 -1.1846 -1.1846 -0.9836 -0.9836 -0.7489 -0.7489 0.1966 0.1966 0.2833 0.2833 0.3808 0.3808 0.8264 0.8264 0.9044 0.9044 1.1863 1.1863 1.3812 1.3812 1.4010 1.4010 1.5080 1.5080 3.5109 3.5109 3.6801 3.6801 4.1410 4.1410 4.2925 4.2925 4.3884 4.3884 4.5771 4.5771 5.3479 5.3479 5.4072 5.4072 7.3536 7.3536 7.5637 7.5637 12.5963 12.5963 13.0578 13.0578 15.6108 15.6108 k = 0.5716 0.2949-0.0825 ( 3862 PWs) bands (ev): -18.8386 -18.8386 -18.6548 -18.6548 -18.4688 -18.4688 -18.3914 -18.3914 -18.2096 -18.2096 -18.1408 -18.1408 -3.4758 -3.4758 -3.2089 -3.2089 -2.5228 -2.5228 -1.6846 -1.6846 -1.5821 -1.5821 -1.4226 -1.4226 -1.1932 -1.1932 -0.9992 -0.9992 -0.7792 -0.7792 0.1759 0.1759 0.2692 0.2692 0.3583 0.3583 0.8338 0.8338 0.9285 0.9285 1.2019 1.2019 1.3885 1.3885 1.4124 1.4124 1.5094 1.5094 3.5323 3.5323 3.6848 3.6848 4.1541 4.1541 4.2947 4.2947 4.3844 4.3844 4.5723 4.5723 5.3558 5.3558 5.4136 5.4136 7.3584 7.3584 7.5462 7.5462 12.5379 12.5379 12.9975 12.9975 15.7336 15.7336 k = 0.5671 0.2926-0.0663 ( 3856 PWs) bands (ev): -18.8429 -18.8429 -18.6515 -18.6515 -18.4688 -18.4688 -18.3976 -18.3976 -18.2054 -18.2054 -18.1375 -18.1375 -3.4539 -3.4539 -3.2086 -3.2086 -2.5111 -2.5111 -1.6888 -1.6888 -1.5750 -1.5750 -1.4306 -1.4306 -1.2010 -1.2010 -1.0161 -1.0161 -0.8097 -0.8097 0.1547 0.1547 0.2558 0.2558 0.3361 0.3361 0.8414 0.8414 0.9500 0.9500 1.2194 1.2194 1.3950 1.3950 1.4245 1.4245 1.5112 1.5112 3.5531 3.5531 3.6891 3.6891 4.1671 4.1671 4.2967 4.2967 4.3807 4.3807 4.5670 4.5670 5.3640 5.3640 5.4202 5.4202 7.3628 7.3628 7.5294 7.5294 12.4819 12.4819 12.9393 12.9393 15.8563 15.8563 k = 0.5626 0.2903-0.0502 ( 3855 PWs) bands (ev): -18.8473 -18.8473 -18.6480 -18.6480 -18.4688 -18.4688 -18.4039 -18.4039 -18.2014 -18.2014 -18.1343 -18.1343 -3.4317 -3.4317 -3.2083 -3.2083 -2.4996 -2.4996 -1.6951 -1.6951 -1.5658 -1.5658 -1.4378 -1.4378 -1.2080 -1.2080 -1.0343 -1.0343 -0.8401 -0.8401 0.1334 0.1334 0.2432 0.2432 0.3146 0.3146 0.8490 0.8490 0.9685 0.9685 1.2388 1.2388 1.4015 1.4015 1.4366 1.4366 1.5134 1.5134 3.5732 3.5732 3.6932 3.6932 4.1799 4.1799 4.2984 4.2984 4.3772 4.3772 4.5612 4.5612 5.3724 5.3724 5.4268 5.4268 7.3668 7.3668 7.5134 7.5134 12.4286 12.4286 12.8835 12.8835 15.9786 15.9786 k = 0.5582 0.2880-0.0341 ( 3849 PWs) bands (ev): -18.8515 -18.8515 -18.6443 -18.6443 -18.4687 -18.4687 -18.4103 -18.4103 -18.1976 -18.1976 -18.1312 -18.1312 -3.4095 -3.4095 -3.2080 -3.2080 -2.4882 -2.4882 -1.7023 -1.7023 -1.5555 -1.5555 -1.4444 -1.4444 -1.2140 -1.2140 -1.0534 -1.0534 -0.8698 -0.8698 0.1120 0.1120 0.2315 0.2315 0.2940 0.2940 0.8563 0.8563 0.9838 0.9838 1.2599 1.2599 1.4081 1.4081 1.4483 1.4483 1.5157 1.5157 3.5925 3.5925 3.6970 3.6970 4.1924 4.1924 4.2994 4.2994 4.3744 4.3744 4.5548 4.5548 5.3810 5.3810 5.4334 5.4334 7.3705 7.3705 7.4983 7.4983 12.3782 12.3782 12.8303 12.8303 16.1001 16.1001 k = 0.5537 0.2857-0.0179 ( 3853 PWs) bands (ev): -18.8555 -18.8555 -18.6404 -18.6404 -18.4686 -18.4686 -18.4166 -18.4166 -18.1942 -18.1942 -18.1282 -18.1282 -3.3874 -3.3874 -3.2076 -3.2076 -2.4772 -2.4772 -1.7099 -1.7099 -1.5452 -1.5452 -1.4502 -1.4502 -1.2188 -1.2188 -1.0735 -1.0735 -0.8986 -0.8986 0.0910 0.0910 0.2206 0.2206 0.2745 0.2745 0.8633 0.8633 0.9962 0.9962 1.2820 1.2820 1.4150 1.4150 1.4596 1.4596 1.5181 1.5181 3.6107 3.6107 3.7006 3.7006 4.2044 4.2044 4.2998 4.2998 4.3724 4.3724 4.5479 4.5479 5.3896 5.3896 5.4399 5.4399 7.3738 7.3738 7.4841 7.4841 12.3308 12.3308 12.7799 12.7799 16.2200 16.2200 k = 0.5492 0.2834-0.0018 ( 3849 PWs) bands (ev): -18.8594 -18.8594 -18.6364 -18.6364 -18.4685 -18.4685 -18.4230 -18.4230 -18.1909 -18.1909 -18.1252 -18.1252 -3.3659 -3.3659 -3.2070 -3.2070 -2.4666 -2.4666 -1.7175 -1.7175 -1.5351 -1.5351 -1.4554 -1.4554 -1.2224 -1.2224 -1.0940 -1.0940 -0.9261 -0.9261 0.0705 0.0705 0.2106 0.2106 0.2563 0.2563 0.8698 0.8698 1.0060 1.0060 1.3048 1.3048 1.4220 1.4220 1.4702 1.4702 1.5206 1.5206 3.6276 3.6276 3.7041 3.7041 4.2161 4.2161 4.2995 4.2995 4.3713 4.3713 4.5404 4.5404 5.3982 5.3982 5.4462 5.4462 7.3767 7.3767 7.4708 7.4708 12.2866 12.2866 12.7326 12.7326 16.3378 16.3378 k = 0.5447 0.2811 0.0143 ( 3857 PWs) bands (ev): -18.8630 -18.8630 -18.6323 -18.6323 -18.4684 -18.4684 -18.4292 -18.4292 -18.1880 -18.1880 -18.1225 -18.1225 -3.3452 -3.3452 -3.2062 -3.2062 -2.4565 -2.4565 -1.7251 -1.7251 -1.5256 -1.5256 -1.4600 -1.4600 -1.2248 -1.2248 -1.1146 -1.1146 -0.9522 -0.9522 0.0508 0.0508 0.2014 0.2014 0.2395 0.2395 0.8758 0.8758 1.0136 1.0136 1.3275 1.3275 1.4291 1.4291 1.4801 1.4801 1.5231 1.5231 3.6428 3.6428 3.7078 3.7078 4.2271 4.2271 4.2983 4.2983 4.3713 4.3713 4.5325 4.5325 5.4067 5.4067 5.4524 5.4524 7.3793 7.3793 7.4586 7.4586 12.2457 12.2457 12.6886 12.6886 16.4522 16.4522 k = 0.5403 0.2788 0.0304 ( 3864 PWs) bands (ev): -18.8663 -18.8663 -18.6283 -18.6283 -18.4683 -18.4683 -18.4352 -18.4352 -18.1854 -18.1854 -18.1199 -18.1199 -3.3256 -3.3256 -3.2051 -3.2051 -2.4469 -2.4469 -1.7324 -1.7324 -1.5169 -1.5169 -1.4641 -1.4641 -1.2261 -1.2261 -1.1349 -1.1349 -0.9766 -0.9766 0.0321 0.0321 0.1931 0.1931 0.2242 0.2242 0.8811 0.8811 1.0192 1.0192 1.3496 1.3496 1.4363 1.4363 1.4893 1.4893 1.5255 1.5255 3.6562 3.6562 3.7119 3.7119 4.2374 4.2374 4.2965 4.2965 4.3725 4.3725 4.5241 4.5241 5.4149 5.4149 5.4583 5.4583 7.3815 7.3815 7.4475 7.4475 12.2083 12.2083 12.6481 12.6481 16.5617 16.5617 k = 0.5358 0.2765 0.0466 ( 3866 PWs) bands (ev): -18.8694 -18.8694 -18.6243 -18.6243 -18.4682 -18.4682 -18.4409 -18.4409 -18.1830 -18.1830 -18.1174 -18.1174 -3.3076 -3.3076 -3.2036 -3.2036 -2.4380 -2.4380 -1.7394 -1.7394 -1.5089 -1.5089 -1.4677 -1.4677 -1.2267 -1.2267 -1.1540 -1.1540 -0.9993 -0.9993 0.0145 0.0145 0.1856 0.1856 0.2104 0.2104 0.8858 0.8858 1.0235 1.0235 1.3705 1.3705 1.4435 1.4435 1.4976 1.4976 1.5278 1.5278 3.6673 3.6673 3.7166 3.7166 4.2468 4.2468 4.2942 4.2942 4.3749 4.3749 4.5152 4.5152 5.4226 5.4226 5.4639 5.4639 7.3832 7.3832 7.4376 7.4376 12.1744 12.1744 12.6113 12.6113 16.6640 16.6640 k = 0.5313 0.2742 0.0627 ( 3865 PWs) bands (ev): -18.8722 -18.8722 -18.6205 -18.6205 -18.4680 -18.4680 -18.4464 -18.4464 -18.1809 -18.1809 -18.1153 -18.1153 -3.2915 -3.2915 -3.2014 -3.2014 -2.4299 -2.4299 -1.7461 -1.7461 -1.5017 -1.5017 -1.4708 -1.4708 -1.2272 -1.2272 -1.1710 -1.1710 -1.0202 -1.0202 -0.0016 -0.0016 0.1790 0.1790 0.1982 0.1982 0.8899 0.8899 1.0265 1.0265 1.3896 1.3896 1.4506 1.4506 1.5049 1.5049 1.5299 1.5299 3.6759 3.6759 3.7222 3.7222 4.2552 4.2552 4.2918 4.2918 4.3785 4.3785 4.5060 4.5060 5.4298 5.4298 5.4691 5.4691 7.3845 7.3845 7.4290 7.4290 12.1443 12.1443 12.5784 12.5784 16.7563 16.7563 k = 0.5268 0.2719 0.0788 ( 3869 PWs) bands (ev): -18.8746 -18.8746 -18.6169 -18.6169 -18.4679 -18.4679 -18.4514 -18.4514 -18.1791 -18.1791 -18.1133 -18.1133 -3.2779 -3.2779 -3.1986 -3.1986 -2.4226 -2.4226 -1.7524 -1.7524 -1.4953 -1.4953 -1.4733 -1.4733 -1.2294 -1.2294 -1.1839 -1.1839 -1.0391 -1.0391 -0.0161 -0.0161 0.1732 0.1732 0.1877 0.1877 0.8934 0.8934 1.0287 1.0287 1.4065 1.4065 1.4576 1.4576 1.5112 1.5112 1.5319 1.5319 3.6821 3.6821 3.7284 3.7284 4.2623 4.2623 4.2895 4.2895 4.3831 4.3831 4.4964 4.4964 5.4362 5.4362 5.4740 5.4740 7.3853 7.3853 7.4218 7.4218 12.1180 12.1180 12.5495 12.5495 16.8354 16.8354 k = 0.5224 0.2696 0.0950 ( 3871 PWs) bands (ev): -18.8766 -18.8766 -18.6136 -18.6136 -18.4679 -18.4679 -18.4559 -18.4559 -18.1776 -18.1776 -18.1116 -18.1116 -3.2669 -3.2669 -3.1950 -3.1950 -2.4162 -2.4162 -1.7582 -1.7582 -1.4898 -1.4898 -1.4752 -1.4752 -1.2350 -1.2350 -1.1909 -1.1909 -1.0561 -1.0561 -0.0287 -0.0287 0.1682 0.1682 0.1789 0.1789 0.8964 0.8964 1.0301 1.0301 1.4207 1.4207 1.4644 1.4644 1.5163 1.5163 1.5337 1.5337 3.6863 3.6863 3.7348 3.7348 4.2677 4.2677 4.2879 4.2879 4.3888 4.3888 4.4866 4.4866 5.4417 5.4417 5.4783 5.4783 7.3854 7.3854 7.4161 7.4161 12.0956 12.0956 12.5247 12.5247 16.8995 16.8995 k = 0.5179 0.2672 0.1111 ( 3873 PWs) bands (ev): -18.8784 -18.8784 -18.6107 -18.6107 -18.4678 -18.4678 -18.4597 -18.4597 -18.1763 -18.1763 -18.1102 -18.1102 -3.2587 -3.2587 -3.1909 -3.1909 -2.4108 -2.4108 -1.7633 -1.7633 -1.4858 -1.4858 -1.4758 -1.4758 -1.2436 -1.2436 -1.1921 -1.1921 -1.0710 -1.0710 -0.0393 -0.0393 0.1639 0.1639 0.1719 0.1719 0.8988 0.8988 1.0311 1.0311 1.4321 1.4321 1.4710 1.4710 1.5203 1.5203 1.5355 1.5355 3.6891 3.6891 3.7407 3.7407 4.2711 4.2711 4.2873 4.2873 4.3955 4.3955 4.4767 4.4767 5.4463 5.4463 5.4820 5.4820 7.3850 7.3850 7.4119 7.4119 12.0772 12.0772 12.5043 12.5043 16.9489 16.9489 k = 0.5134 0.2649 0.1272 ( 3877 PWs) bands (ev): -18.8797 -18.8797 -18.6083 -18.6083 -18.4679 -18.4679 -18.4628 -18.4628 -18.1753 -18.1753 -18.1091 -18.1091 -3.2529 -3.2529 -3.1868 -3.1868 -2.4065 -2.4065 -1.7675 -1.7675 -1.4840 -1.4840 -1.4747 -1.4747 -1.2526 -1.2526 -1.1903 -1.1903 -1.0835 -1.0835 -0.0478 -0.0478 0.1603 0.1603 0.1667 0.1667 0.9006 0.9006 1.0317 1.0317 1.4405 1.4405 1.4770 1.4770 1.5230 1.5230 1.5370 1.5370 3.6910 3.6910 3.7457 3.7457 4.2725 4.2725 4.2880 4.2880 4.4028 4.4028 4.4668 4.4668 5.4499 5.4499 5.4851 5.4851 7.3842 7.3842 7.4092 7.4092 12.0628 12.0628 12.4883 12.4883 16.9852 16.9852 k = 0.5089 0.2626 0.1433 ( 3879 PWs) bands (ev): -18.8807 -18.8807 -18.6065 -18.6065 -18.4681 -18.4681 -18.4649 -18.4649 -18.1747 -18.1747 -18.1084 -18.1084 -3.2492 -3.2492 -3.1834 -3.1834 -2.4033 -2.4033 -1.7706 -1.7706 -1.4838 -1.4838 -1.4725 -1.4725 -1.2601 -1.2601 -1.1874 -1.1874 -1.0932 -1.0932 -0.0539 -0.0539 0.1574 0.1574 0.1633 0.1633 0.9019 0.9019 1.0321 1.0321 1.4462 1.4462 1.4819 1.4819 1.5246 1.5246 1.5383 1.5383 3.6921 3.6921 3.7495 3.7495 4.2726 4.2726 4.2892 4.2892 4.4105 4.4105 4.4574 4.4574 5.4524 5.4524 5.4873 5.4873 7.3833 7.3833 7.4075 7.4075 12.0524 12.0524 12.4768 12.4768 17.0101 17.0101 k = 0.5045 0.2603 0.1595 ( 3885 PWs) bands (ev): -18.8813 -18.8813 -18.6054 -18.6054 -18.4684 -18.4684 -18.4659 -18.4659 -18.1742 -18.1742 -18.1079 -18.1079 -3.2471 -3.2471 -3.1810 -3.1810 -2.4014 -2.4014 -1.7726 -1.7726 -1.4841 -1.4841 -1.4708 -1.4708 -1.2650 -1.2650 -1.1851 -1.1851 -1.0994 -1.0994 -0.0576 -0.0576 0.1556 0.1556 0.1614 0.1614 0.9026 0.9026 1.0323 1.0323 1.4495 1.4495 1.4851 1.4851 1.5255 1.5255 1.5392 1.5392 3.6927 3.6927 3.7519 3.7519 4.2723 4.2723 4.2902 4.2902 4.4176 4.4176 4.4493 4.4493 5.4540 5.4540 5.4887 5.4887 7.3826 7.3826 7.4066 7.4066 12.0462 12.0462 12.4699 12.4699 17.0248 17.0248 k = 0.5000 0.2580 0.1756 ( 3890 PWs) bands (ev): -18.8815 -18.8815 -18.6050 -18.6050 -18.4686 -18.4686 -18.4662 -18.4662 -18.1741 -18.1741 -18.1077 -18.1077 -3.2465 -3.2465 -3.1802 -3.1802 -2.4008 -2.4008 -1.7733 -1.7733 -1.4842 -1.4842 -1.4702 -1.4702 -1.2667 -1.2667 -1.1842 -1.1842 -1.1016 -1.1016 -0.0589 -0.0589 0.1549 0.1549 0.1608 0.1608 0.9029 0.9029 1.0323 1.0323 1.4506 1.4506 1.4862 1.4862 1.5257 1.5257 1.5395 1.5395 3.6929 3.6929 3.7527 3.7527 4.2722 4.2722 4.2906 4.2906 4.4210 4.4210 4.4455 4.4455 5.4545 5.4545 5.4892 5.4892 7.3823 7.3823 7.4064 7.4064 12.0441 12.0441 12.4676 12.4676 17.0296 17.0296 k = 0.5000-0.3555-0.2419 ( 3854 PWs) bands (ev): -18.8375 -18.8375 -18.5236 -18.5236 -18.5145 -18.5145 -18.4770 -18.4770 -18.2193 -18.2193 -18.1330 -18.1330 -3.1929 -3.1929 -3.0857 -3.0857 -2.5928 -2.5928 -1.9685 -1.9685 -1.6486 -1.6486 -1.4056 -1.4056 -1.2449 -1.2449 -1.1069 -1.1069 -0.9882 -0.9882 -0.2493 -0.2493 0.1215 0.1215 0.3921 0.3921 1.2014 1.2014 1.3154 1.3154 1.3801 1.3801 1.4390 1.4390 1.4541 1.4541 1.5806 1.5806 3.4360 3.4360 3.7432 3.7432 4.2096 4.2096 4.2706 4.2706 4.3509 4.3509 4.3973 4.3973 5.4572 5.4572 5.5287 5.5287 7.3270 7.3270 7.5280 7.5280 12.6659 12.6659 12.8530 12.8530 16.0297 16.0297 k = 0.5107-0.3451-0.2349 ( 3850 PWs) bands (ev): -18.8374 -18.8374 -18.5283 -18.5283 -18.5105 -18.5105 -18.4763 -18.4763 -18.2194 -18.2194 -18.1331 -18.1331 -3.1932 -3.1932 -3.0880 -3.0880 -2.5930 -2.5930 -1.9655 -1.9655 -1.6490 -1.6490 -1.4075 -1.4075 -1.2423 -1.2423 -1.1070 -1.1070 -0.9873 -0.9873 -0.2477 -0.2477 0.1221 0.1221 0.3926 0.3926 1.2006 1.2006 1.3149 1.3149 1.3783 1.3783 1.4383 1.4383 1.4536 1.4536 1.5806 1.5806 3.4359 3.4359 3.7429 3.7429 4.2094 4.2094 4.2703 4.2703 4.3500 4.3500 4.3993 4.3993 5.4565 5.4565 5.5279 5.5279 7.3282 7.3282 7.5275 7.5275 12.6675 12.6675 12.8550 12.8550 16.0259 16.0259 k = 0.5215-0.3348-0.2279 ( 3855 PWs) bands (ev): -18.8369 -18.8369 -18.5361 -18.5361 -18.5047 -18.5047 -18.4740 -18.4740 -18.2198 -18.2198 -18.1335 -18.1335 -3.1942 -3.1942 -3.0950 -3.0950 -2.5936 -2.5936 -1.9567 -1.9567 -1.6501 -1.6501 -1.4125 -1.4125 -1.2348 -1.2348 -1.1073 -1.1073 -0.9845 -0.9845 -0.2431 -0.2431 0.1238 0.1238 0.3942 0.3942 1.1982 1.1982 1.3137 1.3137 1.3731 1.3731 1.4363 1.4363 1.4520 1.4520 1.5805 1.5805 3.4354 3.4354 3.7421 3.7421 4.2087 4.2087 4.2694 4.2694 4.3476 4.3476 4.4047 4.4047 5.4545 5.4545 5.5255 5.5255 7.3318 7.3318 7.5262 7.5262 12.6724 12.6724 12.8611 12.8611 16.0142 16.0142 k = 0.5322-0.3245-0.2209 ( 3853 PWs) bands (ev): -18.8362 -18.8362 -18.5443 -18.5443 -18.4999 -18.4999 -18.4700 -18.4700 -18.2204 -18.2204 -18.1342 -18.1342 -3.1961 -3.1961 -3.1060 -3.1060 -2.5946 -2.5946 -1.9423 -1.9423 -1.6519 -1.6519 -1.4197 -1.4197 -1.2239 -1.2239 -1.1074 -1.1074 -0.9799 -0.9799 -0.2355 -0.2355 0.1266 0.1266 0.3969 0.3969 1.1941 1.1941 1.3115 1.3115 1.3645 1.3645 1.4329 1.4329 1.4496 1.4496 1.5804 1.5804 3.4345 3.4345 3.7408 3.7408 4.2074 4.2074 4.2681 4.2681 4.3447 4.3447 4.4124 4.4124 5.4512 5.4512 5.5215 5.5215 7.3376 7.3376 7.5239 7.5239 12.6805 12.6805 12.8712 12.8712 15.9946 15.9946 k = 0.5429-0.3142-0.2138 ( 3858 PWs) bands (ev): -18.8352 -18.8352 -18.5528 -18.5528 -18.4963 -18.4963 -18.4644 -18.4644 -18.2213 -18.2213 -18.1350 -18.1350 -3.1993 -3.1993 -3.1202 -3.1202 -2.5959 -2.5959 -1.9231 -1.9231 -1.6545 -1.6545 -1.4281 -1.4281 -1.2109 -1.2109 -1.1068 -1.1068 -0.9736 -0.9736 -0.2249 -0.2249 0.1306 0.1306 0.4006 0.4006 1.1883 1.1883 1.3083 1.3083 1.3531 1.3531 1.4280 1.4280 1.4463 1.4463 1.5801 1.5801 3.4332 3.4332 3.7389 3.7389 4.2052 4.2052 4.2669 4.2669 4.3421 4.3421 4.4216 4.4216 5.4466 5.4466 5.5160 5.5160 7.3457 7.3457 7.5208 7.5208 12.6918 12.6918 12.8852 12.8852 15.9665 15.9665 k = 0.5537-0.3039-0.2068 ( 3855 PWs) bands (ev): -18.8339 -18.8339 -18.5612 -18.5612 -18.4938 -18.4938 -18.4575 -18.4575 -18.2225 -18.2225 -18.1361 -18.1361 -3.2049 -3.2049 -3.1358 -3.1358 -2.5975 -2.5975 -1.8998 -1.8998 -1.6576 -1.6576 -1.4367 -1.4367 -1.1974 -1.1974 -1.1047 -1.1047 -0.9654 -0.9654 -0.2116 -0.2116 0.1356 0.1356 0.4053 0.4053 1.1808 1.1808 1.3037 1.3037 1.3392 1.3392 1.4215 1.4215 1.4423 1.4423 1.5798 1.5798 3.4315 3.4315 3.7365 3.7365 4.2018 4.2018 4.2661 4.2661 4.3402 4.3402 4.4316 4.4316 5.4409 5.4409 5.5093 5.5093 7.3560 7.3560 7.5169 7.5169 12.7064 12.7064 12.9032 12.9032 15.9295 15.9295 k = 0.5644-0.2935-0.1998 ( 3854 PWs) bands (ev): -18.8323 -18.8323 -18.5696 -18.5696 -18.4920 -18.4920 -18.4498 -18.4498 -18.2239 -18.2239 -18.1375 -18.1375 -3.2147 -3.2147 -3.1507 -3.1507 -2.5994 -2.5994 -1.8731 -1.8731 -1.6614 -1.6614 -1.4449 -1.4449 -1.1851 -1.1851 -1.1003 -1.1003 -0.9554 -0.9554 -0.1956 -0.1956 0.1415 0.1415 0.4111 0.4111 1.1717 1.1717 1.2968 1.2968 1.3243 1.3243 1.4136 1.4136 1.4378 1.4378 1.5792 1.5792 3.4292 3.4292 3.7337 3.7337 4.1971 4.1971 4.2659 4.2659 4.3390 4.3390 4.4421 4.4421 5.4341 5.4341 5.5014 5.5014 7.3682 7.3682 7.5121 7.5121 12.7240 12.7240 12.9248 12.9248 15.8835 15.8835 k = 0.5752-0.2832-0.1928 ( 3850 PWs) bands (ev): -18.8305 -18.8305 -18.5778 -18.5778 -18.4905 -18.4905 -18.4417 -18.4417 -18.2255 -18.2255 -18.1390 -18.1390 -3.2303 -3.2303 -3.1624 -3.1624 -2.6016 -2.6016 -1.8440 -1.8440 -1.6655 -1.6655 -1.4521 -1.4521 -1.1752 -1.1752 -1.0926 -1.0926 -0.9433 -0.9433 -0.1771 -0.1771 0.1485 0.1485 0.4178 0.4178 1.1607 1.1607 1.2853 1.2853 1.3106 1.3106 1.4040 1.4040 1.4329 1.4329 1.5784 1.5784 3.4262 3.4262 3.7305 3.7305 4.1910 4.1910 4.2664 4.2664 4.3387 4.3387 4.4529 4.4529 5.4264 5.4264 5.4926 5.4926 7.3821 7.3821 7.5067 7.5067 12.7448 12.7448 12.9502 12.9502 15.8282 15.8282 k = 0.5859-0.2729-0.1857 ( 3848 PWs) bands (ev): -18.8285 -18.8285 -18.5859 -18.5859 -18.4892 -18.4892 -18.4334 -18.4334 -18.2273 -18.2273 -18.1407 -18.1407 -3.2519 -3.2519 -3.1702 -3.1702 -2.6040 -2.6040 -1.8135 -1.8135 -1.6698 -1.6698 -1.4579 -1.4579 -1.1682 -1.1682 -1.0818 -1.0818 -0.9291 -0.9291 -0.1562 -0.1562 0.1562 0.1562 0.4254 0.4254 1.1481 1.1481 1.2676 1.2676 1.3003 1.3003 1.3930 1.3930 1.4280 1.4280 1.5773 1.5773 3.4225 3.4225 3.7268 3.7268 4.1838 4.1838 4.2676 4.2676 4.3391 4.3391 4.4637 4.4637 5.4178 5.4178 5.4831 5.4831 7.3975 7.3975 7.5007 7.5007 12.7685 12.7685 12.9791 12.9791 15.7642 15.7642 k = 0.5966-0.2626-0.1787 ( 3852 PWs) bands (ev): -18.8263 -18.8263 -18.5937 -18.5937 -18.4879 -18.4879 -18.4250 -18.4250 -18.2294 -18.2294 -18.1426 -18.1426 -3.2776 -3.2776 -3.1753 -3.1753 -2.6066 -2.6066 -1.7829 -1.7829 -1.6738 -1.6738 -1.4622 -1.4622 -1.1634 -1.1634 -1.0687 -1.0687 -0.9127 -0.9127 -0.1333 -0.1333 0.1647 0.1647 0.4340 0.4340 1.1336 1.1336 1.2454 1.2454 1.2919 1.2919 1.3805 1.3805 1.4231 1.4231 1.5759 1.5759 3.4179 3.4179 3.7227 3.7227 4.1756 4.1756 4.2691 4.2691 4.3403 4.3403 4.4744 4.4744 5.4086 5.4086 5.4731 5.4731 7.4137 7.4137 7.4947 7.4947 12.7951 12.7951 13.0113 13.0113 15.6921 15.6921 k = 0.6074-0.2523-0.1717 ( 3857 PWs) bands (ev): -18.8239 -18.8239 -18.6014 -18.6014 -18.4867 -18.4867 -18.4167 -18.4167 -18.2317 -18.2317 -18.1446 -18.1446 -3.3060 -3.3060 -3.1790 -3.1790 -2.6094 -2.6094 -1.7545 -1.7545 -1.6757 -1.6757 -1.4645 -1.4645 -1.1599 -1.1599 -1.0545 -1.0545 -0.8938 -0.8938 -0.1083 -0.1083 0.1738 0.1738 0.4433 0.4433 1.1173 1.1173 1.2207 1.2207 1.2839 1.2839 1.3666 1.3666 1.4183 1.4183 1.5742 1.5742 3.4125 3.4125 3.7182 3.7182 4.1666 4.1666 4.2707 4.2707 4.3423 4.3423 4.4849 4.4849 5.3987 5.3987 5.4628 5.4628 7.4293 7.4293 7.4900 7.4900 12.8246 12.8246 13.0468 13.0468 15.6130 15.6130 k = 0.6181-0.2419-0.1647 ( 3854 PWs) bands (ev): -18.8214 -18.8214 -18.6086 -18.6086 -18.4854 -18.4854 -18.4085 -18.4085 -18.2342 -18.2342 -18.1468 -18.1468 -3.3357 -3.3357 -3.1819 -3.1819 -2.6124 -2.6124 -1.7331 -1.7331 -1.6714 -1.6714 -1.4647 -1.4647 -1.1569 -1.1569 -1.0402 -1.0402 -0.8726 -0.8726 -0.0816 -0.0816 0.1834 0.1834 0.4533 0.4533 1.0991 1.0991 1.1946 1.1946 1.2758 1.2758 1.3514 1.3514 1.4138 1.4138 1.5722 1.5722 3.4062 3.4062 3.7132 3.7132 4.1570 4.1570 4.2723 4.2723 4.3452 4.3452 4.4952 4.4952 5.3884 5.3884 5.4525 5.4525 7.4406 7.4406 7.4900 7.4900 12.8567 12.8567 13.0854 13.0854 15.5282 15.5282 k = 0.6288-0.2316-0.1576 ( 3860 PWs) bands (ev): -18.8189 -18.8189 -18.6156 -18.6156 -18.4841 -18.4841 -18.4005 -18.4005 -18.2368 -18.2368 -18.1490 -18.1490 -3.3661 -3.3661 -3.1844 -3.1844 -2.6156 -2.6156 -1.7249 -1.7249 -1.6554 -1.6554 -1.4625 -1.4625 -1.1538 -1.1538 -1.0264 -1.0264 -0.8493 -0.8493 -0.0532 -0.0532 0.1934 0.1934 0.4639 0.4639 1.0790 1.0790 1.1677 1.1677 1.2673 1.2673 1.3352 1.3352 1.4096 1.4096 1.5699 1.5699 3.3990 3.3990 3.7079 3.7079 4.1468 4.1468 4.2736 4.2736 4.3488 4.3488 4.5052 4.5052 5.3778 5.3778 5.4423 5.4423 7.4426 7.4426 7.4997 7.4997 12.8912 12.8912 13.1269 13.1269 15.4389 15.4389 k = 0.6396-0.2213-0.1506 ( 3858 PWs) bands (ev): -18.8164 -18.8164 -18.6221 -18.6221 -18.4828 -18.4828 -18.3927 -18.3927 -18.2396 -18.2396 -18.1513 -18.1513 -3.3965 -3.3965 -3.1868 -3.1868 -2.6190 -2.6190 -1.7267 -1.7267 -1.6312 -1.6312 -1.4579 -1.4579 -1.1501 -1.1501 -1.0133 -1.0133 -0.8241 -0.8241 -0.0234 -0.0234 0.2036 0.2036 0.4750 0.4750 1.0571 1.0571 1.1408 1.1408 1.2583 1.2583 1.3181 1.3181 1.4058 1.4058 1.5672 1.5672 3.3908 3.3908 3.7021 3.7021 4.1362 4.1362 4.2747 4.2747 4.3531 4.3531 4.5148 4.5148 5.3670 5.3670 5.4324 5.4324 7.4367 7.4367 7.5177 7.5177 12.9281 12.9281 13.1710 13.1710 15.3463 15.3463 k = 0.6503-0.2110-0.1436 ( 3856 PWs) bands (ev): -18.8139 -18.8139 -18.6282 -18.6282 -18.4814 -18.4814 -18.3853 -18.3853 -18.2424 -18.2424 -18.1537 -18.1537 -3.4267 -3.4267 -3.1891 -3.1891 -2.6226 -2.6226 -1.7331 -1.7331 -1.6049 -1.6049 -1.4505 -1.4505 -1.1456 -1.1456 -1.0010 -1.0010 -0.7975 -0.7975 0.0078 0.0078 0.2139 0.2139 0.4864 0.4864 1.0334 1.0334 1.1142 1.1142 1.2489 1.2489 1.3005 1.3005 1.4021 1.4021 1.5643 1.5643 3.3816 3.3816 3.6958 3.6958 4.1252 4.1252 4.2754 4.2754 4.3580 4.3580 4.5239 4.5239 5.3563 5.3563 5.4231 5.4231 7.4270 7.4270 7.5396 7.5396 12.9669 12.9669 13.2177 13.2177 15.2514 15.2514 k = 0.6610-0.2007-0.1366 ( 3856 PWs) bands (ev): -18.8115 -18.8115 -18.6338 -18.6338 -18.4799 -18.4799 -18.3782 -18.3782 -18.2453 -18.2453 -18.1561 -18.1561 -3.4563 -3.4563 -3.1914 -3.1914 -2.6263 -2.6263 -1.7414 -1.7414 -1.5793 -1.5793 -1.4406 -1.4406 -1.1402 -1.1402 -0.9895 -0.9895 -0.7698 -0.7698 0.0400 0.0400 0.2240 0.2240 0.4977 0.4977 1.0082 1.0082 1.0885 1.0885 1.2387 1.2387 1.2828 1.2828 1.3987 1.3987 1.5610 1.5610 3.3716 3.3716 3.6891 3.6891 4.1139 4.1139 4.2759 4.2759 4.3634 4.3634 4.5326 4.5326 5.3457 5.3457 5.4143 5.4143 7.4153 7.4153 7.5635 7.5635 13.0075 13.0075 13.2668 13.2668 15.1552 15.1552 k = 0.6718-0.1903-0.1295 ( 3862 PWs) bands (ev): -18.8094 -18.8094 -18.6388 -18.6388 -18.4784 -18.4784 -18.3715 -18.3715 -18.2481 -18.2481 -18.1586 -18.1586 -3.4851 -3.4851 -3.1938 -3.1938 -2.6301 -2.6301 -1.7508 -1.7508 -1.5553 -1.5553 -1.4281 -1.4281 -1.1338 -1.1338 -0.9788 -0.9788 -0.7417 -0.7417 0.0733 0.0733 0.2337 0.2337 0.5088 0.5088 0.9820 0.9820 1.0639 1.0639 1.2276 1.2276 1.2656 1.2656 1.3956 1.3956 1.5576 1.5576 3.3607 3.3607 3.6819 3.6819 4.1023 4.1023 4.2762 4.2762 4.3690 4.3690 4.5409 4.5409 5.3353 5.3353 5.4062 5.4062 7.4023 7.4023 7.5887 7.5887 13.0495 13.0495 13.3180 13.3180 15.0585 15.0585 k = 0.6825-0.1800-0.1225 ( 3870 PWs) bands (ev): -18.8075 -18.8075 -18.6432 -18.6432 -18.4768 -18.4768 -18.3654 -18.3654 -18.2508 -18.2508 -18.1610 -18.1610 -3.5128 -3.5128 -3.1963 -3.1963 -2.6340 -2.6340 -1.7609 -1.7609 -1.5332 -1.5332 -1.4134 -1.4134 -1.1265 -1.1265 -0.9686 -0.9686 -0.7134 -0.7134 0.1072 0.1072 0.2428 0.2428 0.5192 0.5192 0.9553 0.9553 1.0406 1.0406 1.2152 1.2152 1.2495 1.2495 1.3926 1.3926 1.5539 1.5539 3.3490 3.3490 3.6743 3.6743 4.0906 4.0906 4.2764 4.2764 4.3748 4.3748 4.5487 4.5487 5.3254 5.3254 5.3987 5.3987 7.3883 7.3883 7.6146 7.6146 13.0923 13.0923 13.3712 13.3712 14.9623 14.9623 k = 0.6932-0.1697-0.1155 ( 3874 PWs) bands (ev): -18.8061 -18.8061 -18.6469 -18.6469 -18.4752 -18.4752 -18.3599 -18.3599 -18.2533 -18.2533 -18.1634 -18.1634 -3.5393 -3.5393 -3.1988 -3.1988 -2.6380 -2.6380 -1.7714 -1.7714 -1.5129 -1.5129 -1.3971 -1.3971 -1.1183 -1.1183 -0.9589 -0.9589 -0.6855 -0.6855 0.1417 0.1417 0.2513 0.2513 0.5287 0.5287 0.9288 0.9288 1.0187 1.0187 1.2010 1.2010 1.2354 1.2354 1.3898 1.3898 1.5501 1.5501 3.3365 3.3365 3.6662 3.6662 4.0788 4.0788 4.2765 4.2765 4.3805 4.3805 4.5560 4.5560 5.3160 5.3160 5.3920 5.3920 7.3737 7.3737 7.6411 7.6411 13.1352 13.1352 13.4261 13.4261 14.8675 14.8675 k = 0.7040-0.1594-0.1085 ( 3873 PWs) bands (ev): -18.8051 -18.8051 -18.6498 -18.6498 -18.4735 -18.4735 -18.3551 -18.3551 -18.2555 -18.2555 -18.1658 -18.1658 -3.5644 -3.5644 -3.2014 -3.2014 -2.6420 -2.6420 -1.7822 -1.7822 -1.4941 -1.4941 -1.3798 -1.3798 -1.1093 -1.1093 -0.9497 -0.9497 -0.6584 -0.6584 0.1763 0.1763 0.2590 0.2590 0.5366 0.5366 0.9032 0.9032 0.9986 0.9986 1.1854 1.1854 1.2233 1.2233 1.3872 1.3872 1.5462 1.5462 3.3234 3.3234 3.6578 3.6578 4.0670 4.0670 4.2768 4.2768 4.3862 4.3862 4.5629 4.5629 5.3073 5.3073 5.3859 5.3859 7.3584 7.3584 7.6679 7.6679 13.1776 13.1776 13.4827 13.4827 14.7751 14.7751 k = 0.7147-0.1491-0.1014 ( 3869 PWs) bands (ev): -18.8047 -18.8047 -18.6519 -18.6519 -18.4718 -18.4718 -18.3510 -18.3510 -18.2572 -18.2572 -18.1680 -18.1680 -3.5881 -3.5881 -3.2041 -3.2041 -2.6461 -2.6461 -1.7931 -1.7931 -1.4764 -1.4764 -1.3620 -1.3620 -1.0998 -1.0998 -0.9407 -0.9407 -0.6325 -0.6325 0.2101 0.2101 0.2664 0.2664 0.5426 0.5426 0.8788 0.8788 0.9807 0.9807 1.1690 1.1690 1.2130 1.2130 1.3847 1.3847 1.5422 1.5422 3.3097 3.3097 3.6491 3.6491 4.0553 4.0553 4.2770 4.2770 4.3917 4.3917 4.5694 4.5694 5.2992 5.2992 5.3806 5.3806 7.3426 7.3426 7.6950 7.6950 13.2181 13.2181 13.5406 13.5406 14.6865 14.6865 k = 0.7255-0.1387-0.0944 ( 3863 PWs) bands (ev): -18.8049 -18.8049 -18.6531 -18.6531 -18.4700 -18.4700 -18.3479 -18.3479 -18.2584 -18.2584 -18.1702 -18.1702 -3.6102 -3.6102 -3.2068 -3.2068 -2.6501 -2.6501 -1.8040 -1.8040 -1.4595 -1.4595 -1.3441 -1.3441 -1.0901 -1.0901 -0.9318 -0.9318 -0.6082 -0.6082 0.2399 0.2399 0.2762 0.2762 0.5464 0.5464 0.8560 0.8560 0.9656 0.9656 1.1525 1.1525 1.2042 1.2042 1.3823 1.3823 1.5382 1.5382 3.2954 3.2954 3.6402 3.6402 4.0437 4.0437 4.2775 4.2775 4.3969 4.3969 4.5755 4.5755 5.2919 5.2919 5.3759 5.3759 7.3265 7.3265 7.7220 7.7220 13.2554 13.2554 13.5999 13.5999 14.6032 14.6032 k = 0.7362-0.1284-0.0874 ( 3867 PWs) bands (ev): -18.8058 -18.8058 -18.6535 -18.6535 -18.4682 -18.4682 -18.3456 -18.3456 -18.2590 -18.2590 -18.1723 -18.1723 -3.6307 -3.6307 -3.2096 -3.2096 -2.6540 -2.6540 -1.8149 -1.8149 -1.4436 -1.4436 -1.3263 -1.3263 -1.0803 -1.0803 -0.9230 -0.9230 -0.5861 -0.5861 0.2567 0.2567 0.2970 0.2970 0.5479 0.5479 0.8346 0.8346 0.9538 0.9538 1.1367 1.1367 1.1965 1.1965 1.3801 1.3801 1.5343 1.5343 3.2806 3.2806 3.6313 3.6313 4.0323 4.0323 4.2780 4.2780 4.4016 4.4016 4.5811 4.5811 5.2854 5.2854 5.3718 5.3718 7.3101 7.3101 7.7490 7.7490 13.2872 13.2872 13.6602 13.6602 14.5275 14.5275 k = 0.7469-0.1181-0.0804 ( 3873 PWs) bands (ev): -18.8073 -18.8073 -18.6530 -18.6530 -18.4664 -18.4664 -18.3443 -18.3443 -18.2590 -18.2590 -18.1743 -18.1743 -3.6494 -3.6494 -3.2124 -3.2124 -2.6579 -2.6579 -1.8256 -1.8256 -1.4285 -1.4285 -1.3088 -1.3088 -1.0708 -1.0708 -0.9142 -0.9142 -0.5664 -0.5664 0.2611 0.2611 0.3277 0.3277 0.5471 0.5471 0.8144 0.8144 0.9459 0.9459 1.1218 1.1218 1.1899 1.1899 1.3780 1.3780 1.5304 1.5304 3.2654 3.2654 3.6226 3.6226 4.0212 4.0212 4.2787 4.2787 4.4059 4.4059 4.5863 4.5863 5.2797 5.2797 5.3682 5.3682 7.2935 7.2935 7.7757 7.7757 13.3112 13.3112 13.7215 13.7215 14.4618 14.4618 k = 0.7577-0.1078-0.0734 ( 3871 PWs) bands (ev): -18.8095 -18.8095 -18.6518 -18.6518 -18.4646 -18.4646 -18.3439 -18.3439 -18.2583 -18.2583 -18.1762 -18.1762 -3.6664 -3.6664 -3.2152 -3.2152 -2.6616 -2.6616 -1.8362 -1.8362 -1.4146 -1.4146 -1.2914 -1.2914 -1.0618 -1.0618 -0.9051 -0.9051 -0.5495 -0.5495 0.2604 0.2604 0.3604 0.3604 0.5450 0.5450 0.7950 0.7950 0.9419 0.9419 1.1086 1.1086 1.1846 1.1846 1.3761 1.3761 1.5266 1.5266 3.2499 3.2499 3.6141 3.6141 4.0106 4.0106 4.2795 4.2795 4.4097 4.4097 4.5913 4.5913 5.2748 5.2748 5.3652 5.3652 7.2769 7.2769 7.8021 7.8021 13.3242 13.3242 13.7839 13.7839 14.4091 14.4091 k = 0.7684-0.0975-0.0663 ( 3873 PWs) bands (ev): -18.8124 -18.8124 -18.6498 -18.6498 -18.4627 -18.4627 -18.3442 -18.3442 -18.2571 -18.2571 -18.1779 -18.1779 -3.6815 -3.6815 -3.2180 -3.2180 -2.6652 -2.6652 -1.8464 -1.8464 -1.4022 -1.4022 -1.2742 -1.2742 -1.0536 -1.0536 -0.8957 -0.8957 -0.5358 -0.5358 0.2571 0.2571 0.3921 0.3921 0.5424 0.5424 0.7763 0.7763 0.9415 0.9415 1.0972 1.0972 1.1806 1.1806 1.3743 1.3743 1.5231 1.5231 3.2339 3.2339 3.6061 3.6061 4.0004 4.0004 4.2805 4.2805 4.4130 4.4130 4.5959 4.5959 5.2708 5.2708 5.3626 5.3626 7.2604 7.2604 7.8281 7.8281 13.3233 13.3233 13.8473 13.8473 14.3722 14.3722 Writing output data file NiPtF6.save init_run : 0.42s CPU 0.56s WALL ( 1 calls) electrons : 212.10s CPU 214.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 212.09s CPU 214.88s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.05s WALL ( 282 calls) cegterg : 196.64s CPU 198.83s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 112.33s CPU 114.27s WALL ( 7267 calls) s_psi : 5.81s CPU 6.01s WALL ( 7267 calls) g_psi : 0.26s CPU 0.24s WALL ( 6526 calls) cdiaghg : 71.36s CPU 71.97s WALL ( 6808 calls) cegterg:over : 7.67s CPU 7.69s WALL ( 6526 calls) cegterg:upda : 6.36s CPU 6.21s WALL ( 6526 calls) cegterg:last : 3.39s CPU 3.41s WALL ( 1023 calls) cdiaghg:chol : 4.14s CPU 4.08s WALL ( 6808 calls) cdiaghg:inve : 2.87s CPU 2.85s WALL ( 6808 calls) cdiaghg:para : 5.08s CPU 4.85s WALL ( 13616 calls) Called by h_psi: h_psi:vloc : 99.67s CPU 101.50s WALL ( 7267 calls) h_psi:vnl : 12.38s CPU 12.51s WALL ( 7267 calls) add_vuspsi : 6.36s CPU 6.35s WALL ( 7267 calls) General routines calbec : 6.00s CPU 6.14s WALL ( 7267 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.07s CPU 93.80s WALL ( 906968 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.24s WALL ( 564 calls) Parallel routines fft_scatter : 28.39s CPU 29.16s WALL ( 906991 calls) PWSCF : 3m51.05s CPU 4m 9.27s WALL This run was terminated on: 18:12:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=